smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1nccs1 781935 MZMJEJGCHMVPEZ-UHFFFAOYSA-N 384.511 4.546 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3cccs3)cc2c1 1359204 KBBUSECYMRUXMD-UHFFFAOYSA-N 394.521 4.802 0 40 GJAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1736859 RQZAXGRLVPAYTJ-CYDYFGPOSA-N 384.516 4.575 0 40 GJAB biogenic Cc1cc(C)c(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)c(C)c1 2120380 XTLAODRWDUTLFZ-UHFFFAOYSA-N 375.468 4.954 0 40 GJAB biogenic CCC(CC)C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C(C)C)cc1)CC2=O 2432061 IDJXMPKEUORTLF-SFHVURJKSA-N 379.504 4.887 0 40 GJAB Cc1cccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C 3309254 BDJYTPLPZMQKDH-UHFFFAOYSA-N 385.769 4.771 0 40 GJAB O=C1c2ccccc2[C@@H]2c3[nH]c4ccccc4c3[C@H](c3ccc4c(c3)OCO4)CN12 4084891 NPLQAJWRJOQYGL-MHECFPHRSA-N 394.430 4.587 0 40 GJAB biogenic COc1ccc(C(O)(c2ccc(Br)cc2)c2ccc(OC)cc2)cc1 4241660 PVJDZVSDVYAPPZ-UHFFFAOYSA-N 399.284 4.751 0 40 GJAB CCc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccccc1 4518203 OTHYDMCQQGDQOC-UHFFFAOYSA-N 389.503 4.806 0 40 GJAB O=C1CS[C@@H](c2ccccc2)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4568420 PEMBPQVFLYWUOU-TYUXRXASSA-N 397.569 4.785 0 40 GJAB aggregator COc1ccc(-c2nc(COC(=O)c3c[nH]c4ccccc34)cs2)cc1OC 5137710 KSOGFTSOZWIDLQ-UHFFFAOYSA-N 394.452 4.666 0 40 GJAB Cc1ccccc1Nc1nnc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 6334691 JUSAMSGKNSILIS-IVMMDQJWSA-N 390.578 4.623 0 40 GJAB COc1cc(C)c(CSc2nnc(C3CC3)n2Cc2ccccc2)cc1OC 6532086 CPGLCCOYGGMIBR-UHFFFAOYSA-N 395.528 4.822 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 7929048 DNWCBAJWKUUEOI-SFHVURJKSA-N 379.500 4.950 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cc1 8071089 YQCLUDWOMMAMEI-UHFFFAOYSA-N 392.480 4.750 0 40 GJAB C[C@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1cc2ccccc2o1 8196436 RROIXYWXDOJMCW-ZDUSSCGKSA-N 380.831 4.891 0 40 GJAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 8625807 VEDRMTUJYYIWOE-IBGZPJMESA-N 397.478 4.614 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)cc1 9107062 NEUCOEFZFNGBTP-UHFFFAOYSA-N 380.488 4.807 0 40 GJAB O=C(O)Cc1c(-c2ccc3c(c2)OCCO3)nc2ccccc2c1-c1ccccc1 9157398 CXVJJAYRGJTMDH-UHFFFAOYSA-N 397.430 4.967 0 40 GJAB CCOc1ccc(Nc2nc(C)c(Cc3cccc4ccccc34)c(=O)[nH]2)cc1 9939373 VOBVRSFIJNMATB-UHFFFAOYSA-N 385.467 4.965 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 10445908 PRGCGUBWOWCVNE-INIZCTEOSA-N 383.488 4.875 0 40 GJAB CCCCCOc1ccc(S(=O)(=O)Nc2ccccc2O)cc1C(C)C 11565911 SWOZQSSLAZSNDR-UHFFFAOYSA-N 377.506 4.885 0 40 GJAB CCOc1ccc2nc(NC(=O)c3cc(-c4ccc(OC)cc4)on3)sc2c1 11915052 UPBAOWSYEDPNDF-UHFFFAOYSA-N 395.440 4.611 0 40 GJAB COc1cc(N)c(Cl)cc1C(=O)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12181149 KRDILUFFWNMZAZ-VHRNVKJDSA-N 388.870 4.621 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)Cc3c[nH]c4ccccc34)s2)cs1 12396604 HSFJVQFKHBTWRU-UHFFFAOYSA-N 381.526 4.563 0 40 GJAB COc1cccc(/N=c2/cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc23)c1 12659398 UHFWBFXTHGEZMQ-CLCOLTQESA-N 387.391 4.775 0 40 GJAB biogenic COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1Cl 13634760 NGGFNMWNEVTUJK-KRWDZBQOSA-N 388.254 4.805 0 40 GJAB CC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc(F)cc3)cc12 16807646 LUTACKBMRAOFNV-UHFFFAOYSA-N 381.812 4.537 0 40 GJAB COc1ccccc1C1(O)CCN(Cc2cn(C(C)C)c3ccccc23)CC1 19454801 TYRYGRROZFLIGU-UHFFFAOYSA-N 378.516 4.714 0 40 GJAB COc1ccc(CSCC(=O)Nc2ccc(Br)c(C)c2)cc1 20237858 KRKHLJSXVVLJRC-UHFFFAOYSA-N 380.307 4.638 0 40 GJAB Cc1ccc([C@H](NS(=O)(=O)Cc2ccccc2Cl)c2ccccc2)cc1 20492801 HJLYZRPNPOUUGF-OAQYLSRUSA-N 385.916 4.857 0 40 GJAB Cc1ccc([C@H](NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2)cc1 20493699 JKBFWNSEGXMMEC-OAQYLSRUSA-N 385.916 4.857 0 40 GJAB O=C(Nc1ccc2c(c1)C(=O)c1ccccc1-2)c1ccccc1Br 20530698 FSMWXAOQSFHITO-UHFFFAOYSA-N 378.225 4.913 0 40 GJAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 20671826 IFDHJUKREPZHQJ-INIZCTEOSA-N 380.517 4.663 0 40 GJAB O=C(NCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 22504535 MRHPCVIPFXAUAU-UHFFFAOYSA-N 391.496 4.663 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCC[C@H](C)C2)cc1 22573725 SLVSZINKWUVDLV-SFHVURJKSA-N 394.540 4.921 0 40 GJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 24640085 HUXNZWYTOOBXSQ-UHFFFAOYSA-N 383.831 4.991 0 40 GJAB Cc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCCC2)cc1 27749469 CGBOEFJKZBPBMS-ZFDSFTMVSA-N 380.576 4.855 0 40 GJAB O=C(Nc1ccn(Cc2ccccc2F)n1)Nc1ccccc1C(F)(F)F 27916112 YFCKFMZAGLDLSJ-UHFFFAOYSA-N 378.329 4.733 0 40 GJAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(OC(F)F)cc2)no1 29607045 SDMHFAHCHPYYQZ-UHFFFAOYSA-N 391.399 4.524 0 40 GJAB COc1cc(NC(=O)c2c(-c3ccc(F)cc3)noc2C)c(OC)cc1Cl 31878897 GMLAIXFJLCFOAM-UHFFFAOYSA-N 390.798 4.712 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)c2ccc(N3CCCCCC3)nc2)c1 32809312 PAVHTGTVOCGUOH-UHFFFAOYSA-N 383.492 4.512 0 40 GJAB CCc1nnc(NC(=O)c2sc3nc4ccc(C(C)C)cc4cc3c2N)s1 35314296 ZWYJAUQEFZQEQC-UHFFFAOYSA-N 397.529 4.821 0 40 GJAB CC(=O)Nc1ccc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)cc1 36271796 YZVBRQKGOIYABE-HZHRSRAPSA-N 396.446 4.681 0 40 GJAB CCn1nc(C)c(-c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)c1C 36357472 IHWUBBVKMZGWGG-UHFFFAOYSA-N 393.303 4.660 0 40 GJAB CCSc1ccccc1NC(=O)c1ccc(I)cc1 44902393 ZOMUELMGKXOEOA-UHFFFAOYSA-N 383.254 4.656 0 40 GJAB C[C@@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1ccc2ccccc2c1 47048600 MCMOVLQDKPIJRR-GFCCVEGCSA-N 375.453 4.642 0 40 GJAB CCn1c(Sc2ncnc3sc(C)c(C)c23)nnc1-c1ccc(OC)cc1 48250862 PIRGKBVQEHBKBA-UHFFFAOYSA-N 397.529 4.746 0 40 GJAB O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)N1CCCCCCC1 61015909 OMXSZRJWQCXIJB-UHFFFAOYSA-N 376.504 4.560 0 40 GJAB COC(=O)/C=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 62715518 OIBJWWCKPHGPAZ-CMDGGOBGSA-N 391.261 4.531 0 40 GJAB CSc1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 67288234 VIUSOUNMKGGBSX-UHFFFAOYSA-N 395.503 4.944 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)[nH]n2)cc1 72331561 WVRMMFDZFMAPSG-UHFFFAOYSA-N 383.879 4.839 0 40 GJAB CN(Cc1ccc([S@@](C)=O)cc1)c1ccc2ccc(Cl)c(Cl)c2n1 95462976 VVAWSFATWUAPFU-DEOSSOPVSA-N 379.312 4.915 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(C)c(Cl)c1 224165401 JDTBDKDPVWTMDQ-LJQANCHMSA-N 375.896 4.618 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224340362 PSXHGGMYGIRGRU-INIZCTEOSA-N 387.545 4.669 0 40 GJAB Cc1noc(C)c1S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1 224358901 BPGLVVHCDWDJHO-UHFFFAOYSA-N 378.837 4.538 0 40 GJAB Cc1cc(NC(=S)N[C@H](C)COc2ccccc2)ccc1Br 225782407 PDPZVCNMISRULQ-CYBMUJFWSA-N 379.323 4.511 0 40 GJAB CCN(CC)c1cccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)c1 408764337 TVGYIVNDMUWCOJ-PDGQHHTCSA-N 399.288 4.640 0 40 GJAB CCc1c(C(=O)Nc2cccc(S(=O)(=O)CC)c2)oc2cc(C)c(C)cc12 526052310 WSRXJBAPKRPGTP-UHFFFAOYSA-N 385.485 4.658 0 40 GJAB CC(C)C[C@@H](C(=O)Nc1ccccc1OCCN1CCCCC1)n1cccc1 575443319 YFXHDAZLDSEVKQ-NRFANRHFSA-N 383.536 4.579 0 40 GJAB COc1ccc(-c2cc(NC(=O)N3CC[C@H]4C[C@H]4C3)ccc2OC(F)F)cc1 585099378 BVRDMJXORMJJPD-GJZGRUSLSA-N 388.414 4.837 0 40 GJAB O=C(O)c1ccc(CN2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)cc1 585183359 KQRBQKCBUUBLAP-FQEVSTJZSA-N 396.874 4.954 0 40 GJAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)c3ccc(Cl)cc3)C2)N1C 643578381 UMAPFCMQHOGORS-RTWAWAEBSA-N 397.950 4.569 0 40 GJAB O=C(c1ccccc1)c1cc(C(=O)c2ccccc2)n2cnc3ccccc3c12 629157 RTWVBZFBKRQBRK-UHFFFAOYSA-N 376.415 4.950 0 40 GJAB O=c1oc2ccccc2cc1C1=NC2(CCCCC2)Cc2cc3c(cc21)OCO3 796491 MAUKZSNVJQDCFR-UHFFFAOYSA-N 387.435 4.618 0 40 GJAB biogenic O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl 954931 GEPVOSGRENMHLK-SOFGYWHQSA-N 384.646 4.842 0 40 GJAB Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)cc1 1363413 QLQNIOGKSVSOEF-INIZCTEOSA-N 381.863 4.718 0 40 GJAB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccco1 1414012 ILFAMVDZAPENSU-UHFFFAOYSA-N 399.200 4.808 0 40 GJAB Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc(Cl)c4)nc3C2)cc1 2368019 YBHHIYZCLZDCFP-MRXNPFEDSA-N 391.858 4.603 0 40 GJAB COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccccc4C)n3)cc2)cc1 2930870 VILBUXMSOVOMLJ-UHFFFAOYSA-N 399.450 4.902 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 3049977 QYZDDVKRBBYIGO-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB CCOc1cc(C(=O)Nc2cccc(C)c2C)cc(Br)c1OC 3359582 DDRCKHWKBLTZDZ-UHFFFAOYSA-N 378.266 4.726 0 40 GJAB Cc1csc(SCc2csc(CC(=O)Nc3ccccc3C)n2)n1 3405847 DCMKCGCJSOREKH-UHFFFAOYSA-N 375.544 4.690 0 40 GJAB COc1ccc(-c2csc(NC(=O)Cc3ccc(C)c(C)c3)n2)cc1OC 3433330 DUAFZTMZJMJETQ-UHFFFAOYSA-N 382.485 4.625 0 40 GJAB CCSc1nnc2n(-c3ccc([C@@H](C)CC)cc3)c(=O)c3ccccc3n12 3565254 KFZSTYDRSAHKTB-AWEZNQCLSA-N 378.501 4.659 0 40 GJAB CCOC(=O)C1=C(OCc2ccc(C(F)(F)F)cc2)[C@H]2C=C(C)C=C[C@@H]2N=C1 4107052 FHBPWQXNCCKGMB-WMZOPIPTSA-N 391.389 4.625 0 40 GJAB CCCCc1nc(NC2CCCCCC2)c2nnn(Cc3ccccc3)c2n1 4966724 ZRZWLOCLEWWMIS-UHFFFAOYSA-N 378.524 4.747 0 40 GJAB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 5092199 GJSSIJLKHZRFQY-FQEVSTJZSA-N 381.907 4.696 0 40 GJAB O=C(N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl 5165625 RRSNTDNFBSFRAC-AWEZNQCLSA-N 379.070 4.845 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NCCC3=CCCCC3)n2)cc1 5180051 QYBNRIOLSRETQB-OAHLLOKOSA-N 384.549 4.521 0 40 GJAB C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 5200011 NWOWVUGGDWBXLI-HNNXBMFYSA-N 392.421 4.674 0 40 GJAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccco2)c(C)c1 5451761 GLHAWEICHONYBU-QHCPKHFHSA-N 388.467 4.634 0 40 GJAB COc1cccc(-c2nnc(SCc3csc(C)n3)n2Cc2ccco2)c1 5877892 AVFBPRNWHANTRL-UHFFFAOYSA-N 398.513 4.652 0 40 GJAB CC1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)CC1 6026079 OQYXUPVIGPNMGB-UHFFFAOYSA-N 384.348 4.871 0 40 GJAB CCN1C(=O)N/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O 6630208 CTORQTYJRNGSCK-HYARGMPZSA-N 395.462 4.755 0 40 GJAB COc1cc2c(cc1NC(=O)CSc1nc(C)cc(C)n1)oc1ccccc12 6937708 OBRIKOYIZJYARG-UHFFFAOYSA-N 393.468 4.732 0 40 GJAB Cc1nc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)cs1 6994365 XGKZFCJLBLKIBT-UHFFFAOYSA-N 391.953 4.578 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(Br)s2)N1Cc1ccco1 7112894 AHBSYPAZSSFTHB-INIZCTEOSA-N 389.274 4.870 0 40 GJAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccccc3Cc3ccccc3)CC2=O)cc1 7344649 JCNHZWKXCFEUPN-HSZRJFAPSA-N 398.506 4.573 0 40 GJAB CN(C(=O)CSc1nnc(Nc2cccc(Cl)c2)s1)c1ccccc1 7578385 VBVDABBRDLWILD-UHFFFAOYSA-N 390.921 4.690 0 40 GJAB O=C(O)/C(=C\c1cccc(C(F)(F)F)c1)Sc1nnc(-c2ccco2)o1 7987651 BESIBBUOZODHDZ-XYOKQWHBSA-N 382.319 4.566 0 40 GJAB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 8130595 ORLJSXFXNYEDFU-GOSISDBHSA-N 389.451 4.758 0 40 GJAB Brc1cccc(OCCSc2nnc(-c3ccccc3)o2)c1 8187855 ZZCBEYCOPMQLTL-UHFFFAOYSA-N 377.263 4.670 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Oc2ccc(F)cc2)cc1 8313457 QHFIBJXDCHFZPN-OAQYLSRUSA-N 394.446 4.778 0 40 GJAB O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8366810 ZKEVPISLFIPFLD-OAHLLOKOSA-N 398.509 4.620 0 40 GJAB Cc1cc(C)cc(-n2ccnc2S[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 8725214 PBDFKLLFGPGOCL-OAHLLOKOSA-N 376.485 4.579 0 40 GJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3nccc3C)cc2)cc1 9386037 NJPJWPQZRCZYRK-QFIPXVFZSA-N 375.472 4.557 0 40 GJAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccccc3C)cc2)n1 9573389 WWJZSIFNIZZTBK-UHFFFAOYSA-N 389.503 4.936 0 40 GJAB O[C@@H](COCC12CC3CC(CC(C3)C1)C2)CN1CCC(Cc2ccccc2)CC1 10383861 IJXHTHCOYASRRK-SYQRAZLKSA-N 397.603 4.535 0 40 GJAB CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2)n1 12221984 FVATWDKGRPKBCL-LPHOPBHVSA-N 386.499 4.601 0 40 GJAB CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccco4)=NN32)cc1 12273887 LJWGHTGAKNXIMX-AUSIDOKSSA-N 390.439 4.929 0 40 GJAB O=C(CNc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 12609888 FJWZATKIVVZGFQ-UHFFFAOYSA-N 379.847 4.643 0 40 GJAB C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1Cl 12850270 IWRYUSJYMGEHIM-JSGCOSHPSA-N 391.298 4.762 0 40 GJAB Cc1ccccc1NC(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 14135942 DUPQOHKVKGDLFW-UHFFFAOYSA-N 398.462 4.850 0 40 GJAB CCCCCOC(=O)/C(=C1\OC(=O)C(c2ccccc2)=C1O)c1ccccc1 16892488 WVOOEVVZLKVLPD-VZCXRCSSSA-N 378.424 4.657 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)COc1cc(Cl)cc(Cl)c1 19352427 RJWHKEAYWVNZHP-UHFFFAOYSA-N 379.287 4.920 0 40 GJAB CCn1ncc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)c1C 19523962 VPYRHLIJGVVLQO-JOCHJYFZSA-N 394.519 4.992 0 40 GJAB CCCc1ncc(CN[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccc(OC)c(OC)c2)cn1 19525789 HJGQSRSVIWCOGO-VSQYNUGQSA-N 395.547 4.508 0 40 GJAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(Cl)cc1 20714672 RHBLSVWUDSEAQA-INIZCTEOSA-N 380.835 4.683 0 40 GJAB CCOc1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 22913774 ZYADZBARXRUUER-UHFFFAOYSA-N 386.495 4.896 0 40 GJAB Cc1nc(C)c(-c2nnc(SCc3c(F)c(F)c(F)c(F)c3F)o2)s1 25459317 FVWFCRKKIADJGS-UHFFFAOYSA-N 393.362 4.798 0 40 GJAB Cc1noc(C)c1Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)o1 28244528 QQOLBKJCZJRMIT-HNNXBMFYSA-N 389.455 4.757 0 40 GJAB O=C1CCCc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)ccc2N1 30884302 GFVKIUGSHFNKAV-SFHVURJKSA-N 391.496 4.548 0 40 GJAB O=C(CCC(=O)c1ccccc1)Nc1cccc(NC(=O)Nc2ccccc2)c1 32900622 SFSOAJLONWSPBK-UHFFFAOYSA-N 387.439 4.932 0 40 GJAB CN[C@@H](c1cc(C(C)C)c(O)c(C(C)C)c1)c1nnnn1-c1c(C)cccc1C 35622714 XEGJZAWQNJBNGG-FQEVSTJZSA-N 393.535 4.540 0 40 GJAB Cc1cccc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(F)cc2)c1 40300947 MDIZJNLPJMRLDG-UHFFFAOYSA-N 389.430 4.702 0 40 GJAB CCC(C)(C)c1ccc(Oc2nc3ccccc3nc2N2CCOCC2)cc1 45900742 DRUUYKVYJKIRLS-UHFFFAOYSA-N 377.488 4.946 0 40 GJAB CC[C@@H](c1ccc(F)cc1)N(CC(=O)Nc1cc(C)on1)Cc1cccc(F)c1 48354194 ZGKRAJRQAKBJCH-FQEVSTJZSA-N 399.441 4.853 0 40 GJAB c1c2c(cc3c1-c1cc4c(cc1[C@@H](C1CC1)O[C@H]3C1CC1)OCCO4)OCCO2 66087999 YMRHYPCBGYPJPG-PSWAGMNNSA-N 392.451 4.828 0 40 GJAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)cc1C 67290226 MFOXFFJQTPTGRG-UHFFFAOYSA-N 394.525 4.805 0 40 GJAB Cc1nc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)nn1-c1ccc(F)cc1 71924296 JTBYZAAZKZJYIY-SNVBAGLBSA-N 393.249 4.513 0 40 GJAB Cc1c(Br)cccc1NC(=O)Nc1ccccc1O[C@H]1CCOC1 79107027 IPXCIUMWSZJVRW-ZDUSSCGKSA-N 391.265 4.569 0 40 GJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(-n2cc[nH]c2=S)c1 84068106 QKFIJKBXFSTDAV-UHFFFAOYSA-N 388.496 4.881 0 40 GJAB COc1cccc2cc([C@@H](C)Nc3cnn(C(C)(C)C)c(=O)c3Cl)oc12 84647612 JXUFZFSQLRNXBI-LLVKDONJSA-N 375.856 4.580 0 40 GJAB Cc1nccn1-c1ncccc1NC(=O)c1ccc(-c2ccccc2F)s1 95954849 QYVMCYFDRGANFC-UHFFFAOYSA-N 378.432 4.696 0 40 GJAB CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 96052612 QGVIRXODUYUPKB-IBGZPJMESA-N 382.573 4.684 0 40 GJAB CC(C)(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N1CCc2ccccc2C1 199422366 UATHKQOVKSWYPS-UHFFFAOYSA-N 384.907 4.670 0 40 GJAB CC[C@@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(OC)c(C)c1 222622340 BUNJAFDLDFAPKR-GOSISDBHSA-N 375.896 4.920 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 223029731 SWDUKKHDWYSVGV-LJQANCHMSA-N 386.879 4.571 0 40 GJAB O=C(CSCc1c(F)cccc1Cl)NCCOc1ccccc1Cl 223455603 HVYHIKRZXFRNMY-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB Cc1cccc(CN2CCC(C(=O)NCCOc3ccccc3C(C)C)CC2)c1 223793205 IRHQJLQZOGLBCM-UHFFFAOYSA-N 394.559 4.526 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCCC2)cc1 224451264 RVLDQFCOZKWWJD-HKWRFOASSA-N 382.529 4.666 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(CN2CCCCC2)c1 224697343 JASBDBVWMKREQH-XMMPIXPASA-N 394.559 4.763 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225674071 OBXDULHZRDCOEG-SFHVURJKSA-N 398.528 4.679 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1csc2ccccc12 225693717 SOLHSEYFYJXWDG-KRWDZBQOSA-N 389.904 4.562 0 40 GJAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 257277992 OAHSXIOUBKMTON-SFHVURJKSA-N 377.513 4.842 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@H]32)cc1 409333897 FNOCMOFJNDJIFM-PUHATCMVSA-N 399.446 4.642 0 40 GJAB CN(CC(=O)Nc1cccc2ccccc12)Cc1cc(Br)cs1 521402313 SYTKLWQVSVJKPU-UHFFFAOYSA-N 389.318 4.734 0 40 GJAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)C1 575616534 JXJCTCJOHAYTFI-KRWDZBQOSA-N 388.496 4.555 0 40 GJAB O=C(COCc1nc2ccccc2s1)NCC1CCC(c2ccccc2)CC1 594526151 CLYGJECLICXZGO-UHFFFAOYSA-N 394.540 4.903 0 40 GJAB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)cc1C 714090 RYONNDPMDXKLEE-ZOVQAKDCSA-N 393.486 4.874 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 973898 BTHNOMPRSCDTDX-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB Cn1c(SCC(=O)c2ccccc2Cl)nnc1-c1cccc(Cl)c1 2227495 OCYSWHFDJWLZKH-UHFFFAOYSA-N 378.284 4.764 0 40 GJAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)c(C)c1 2534618 SFPOHDLHJXVLAG-UHFFFAOYSA-N 380.556 4.858 0 40 GJAB Cc1ccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)cc1 2890741 YVXAFULDMSQRBV-UHFFFAOYSA-N 394.525 4.887 0 40 GJAB CC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nc1C 3212507 WYOBGNZFZHWBJG-UHFFFAOYSA-N 396.497 4.615 0 40 GJAB CCCCO[C@H]1C[C@@H](c2ccc(OCc3ccc(F)cc3)c(OC)c2)N(C)O1 4002185 XVWVYGFZPKXLNC-SIKLNZKXSA-N 389.467 4.864 0 40 GJAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Sc3ccc(C)cc3)s2)cc1 4174551 DVMZFBFCWGEDIA-ZDUSSCGKSA-N 385.514 4.641 0 40 GJAB CC(C)Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc21 4400890 NWEMOGAUKGWSHG-UHFFFAOYSA-N 387.936 4.754 0 40 GJAB C[C@H](NC(=O)COc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 4657374 UYOIDFOOMLXIDV-IVKJLDKCSA-N 392.337 4.549 0 40 GJAB CCc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 4699218 AJBYZIWEUGPLIO-ZWKOTPCHSA-N 383.293 4.749 0 40 GJAB CC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1ccccc1Cl 4772644 AVEBTIMALLPEHM-IBGZPJMESA-N 384.871 4.746 0 40 GJAB O=C(OCc1nnc(-c2ccccc2)o1)C1(c2ccc(Cl)cc2)CCCC1 5839549 YVRSOHRKZNDACC-UHFFFAOYSA-N 382.847 4.945 0 40 GJAB Cc1ccc(C)c(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 6056865 WMBFFKHIWSTXBM-ZDUSSCGKSA-N 396.270 4.559 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1C(F)(F)F 6566224 BNEFUQKHPFWCNJ-CPUCHLNUSA-N 386.410 4.866 0 40 GJAB CCCCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O 6636014 GTXFTVORPWIECP-UHFFFAOYSA-N 391.496 4.653 0 40 GJAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)cc4)cs3)C(=O)[C@@H]21 6788628 WQWMXOPYXJXDLU-QXGSTGNESA-N 378.497 4.600 0 40 GJAB O=C(COc1ccccc1Cl)Nc1nnc(SCc2ccccc2)s1 6833844 VZEUEQFLSQVGFI-UHFFFAOYSA-N 391.905 4.501 0 40 GJAB COc1ccc(C)cc1NC(=O)CSc1nccn1-c1cc(C)ccc1C 7283236 NNHKGPCINCBXSN-UHFFFAOYSA-N 381.501 4.537 0 40 GJAB COc1cc(C)ccc1Oc1ncnc2c1cnn2-c1cc(Cl)ccc1C 7444692 XPFUSUJRCLVLPR-UHFFFAOYSA-N 380.835 4.887 0 40 GJAB CN(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Cc1ccccc1Cl 7487663 OEALLJRRZIHILY-UHFFFAOYSA-N 395.915 4.937 0 40 GJAB COc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl 8470421 JSYTWZFXTCOLIT-INIZCTEOSA-N 396.314 4.850 0 40 GJAB O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(Cl)cc1Cl 8737923 XTNWMUWFDOUSBM-UHFFFAOYSA-N 382.247 4.827 0 40 GJAB Cc1ccsc1CN(C[C@@H]1CCCO1)C(=O)c1ccc(Br)cc1 8869424 IVPAMXDEJGYQTB-INIZCTEOSA-N 394.334 4.640 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2nc(-n3cccc3)sc2c1 8992157 RLQRZSBIHAJVPV-UHFFFAOYSA-N 386.480 4.541 0 40 GJAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1cccs1)C3 9225393 QXEPKZVVORBLIF-AWEZNQCLSA-N 377.444 4.818 0 40 GJAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@H](c1ccc(Cl)cc1)O2)CCC3 11867463 XLLRTUMTGDONEX-QGZVFWFLSA-N 380.827 4.950 0 40 GJAB COc1ccc2cc(CNc3ccc(N(C)C4CCCCC4)cc3)c(=O)[nH]c2c1 12088329 ATSSKBZKWUZDQM-UHFFFAOYSA-N 391.515 4.918 0 40 GJAB COc1cccc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)c1 12813936 MFCFIWXVAGWKRL-MRXNPFEDSA-N 386.300 4.528 0 40 GJAB Brc1cccc(-c2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)c1 13718934 JWKYEQLJMXZWTB-UHFFFAOYSA-N 396.273 4.764 0 40 GJAB COc1nc2cc(C)ccc2cc1CN(Cc1ccncc1)Cc1cccnc1 13989665 PUPNKMASFVUTCD-UHFFFAOYSA-N 384.483 4.544 0 40 GJAB Cc1cccc(C(=O)OCC(=O)c2cc(C)n(CCc3cccs3)c2C)c1 14128555 VMHCTHZONNMPCY-UHFFFAOYSA-N 381.497 4.757 0 40 GJAB C[C@H](SCc1ccccc1Br)C(=O)Nc1ccc(F)cc1F 15493173 CTLXESAKVKRXDS-JTQLQIEISA-N 386.261 4.988 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(-c3csc(C)n3)o2)c1 16709210 CWZNJIFPQOFSDN-UHFFFAOYSA-N 384.501 4.839 0 40 GJAB CCC(=O)N1N=C(c2ccc(C(C)(C)C)cc2)Sc2c1nc(C)n2C(=O)CC 16777709 QDBDUNIOHZJHIP-UHFFFAOYSA-N 398.532 4.750 0 40 GJAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20144579 UDAGJEOBFINJFD-UHFFFAOYSA-N 392.238 4.763 0 40 GJAB COc1cc(C2SCCS2)ccc1OC(=O)[C@@H]1Cc2ccccc2S1 21446997 AHSIROUKNJMCIM-KRWDZBQOSA-N 390.551 4.796 0 40 GJAB Cn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c2cc(F)ccc21 22236315 MNZSAPMCGGHLCA-UHFFFAOYSA-N 398.743 4.602 0 40 GJAB Cc1ccccc1N1C[C@@](O)(c2ccc(Cl)c(Cl)c2)[N+]2=C1CCCC2 22407896 BTELIMBBZPZNOF-HXUWFJFHSA-N 376.307 4.562 0 40 GJAB COc1cccc(CN(C)C(=O)C2(c3ccc(Cl)cc3)CCCC2)c1OC 23003117 OHVBJOCAKSHFQK-UHFFFAOYSA-N 387.907 4.828 0 40 GJAB O=C(Nc1ccc(N2CCCC2)nc1)c1cc(-c2ccccn2)nc2ccccc12 24147948 UIAJNARAKBQFNQ-UHFFFAOYSA-N 395.466 4.544 0 40 GJAB CC(=O)c1ccc(OCCC(=O)OCc2csc(-c3ccccc3)n2)cc1 24201390 CWBVZSRJSJXJAZ-UHFFFAOYSA-N 381.453 4.525 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 24983916 AWVWTYBEOUPIHC-UHFFFAOYSA-N 376.416 4.533 0 40 GJAB Cc1cc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3ccco3)oc2cc1Cl 27757649 XLQUVNGWMUMDJE-UHFFFAOYSA-N 397.814 4.783 0 40 GJAB Cc1sc(NC(=O)[C@H](C)n2cnc3ccccc32)nc1-c1ccc(F)c(F)c1 31835576 IPPOCYNXHZFRCE-NSHDSACASA-N 398.438 4.946 0 40 GJAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C2CC2)cc1 32604118 AKMIQKBMCFAFQW-UHFFFAOYSA-N 396.491 4.712 0 40 GJAB CCSCn1nnc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(Cl)c1 32611803 GXUQBIKBTJXLSK-UHFFFAOYSA-N 390.871 4.701 0 40 GJAB CSCc1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)oc2ccccc12 32983783 TUNGNTWYYUVQNM-HXUWFJFHSA-N 394.540 4.863 0 40 GJAB CC[C@@H](C)c1ccccc1OCCOc1ccccc1/C=C1/SC(=N)NC1=O 33419762 RBRWHLSOATUZHW-NPQOUYBPSA-N 396.512 4.797 0 40 GJAB CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1ccccc1 36617035 LFGZYIXYOUDQJA-OAQYLSRUSA-N 384.483 4.999 0 40 GJAB CC(C)[C@@H](NC(=O)c1ccc(Br)cc1F)c1nc2ccccc2[nH]1 39995500 QQMBDTQSRCRIRS-MRXNPFEDSA-N 390.256 4.592 0 40 GJAB O=C(Nc1cccc(COCc2ccco2)c1)c1c(Cl)nc2ccccn12 57059905 YIAFSSWFGPUVMB-UHFFFAOYSA-N 381.819 4.550 0 40 GJAB Cc1ccc(C(=O)Nc2cc(C)c(I)c(C)c2)cc1C 59294227 TUUZFJYKOXPOBZ-UHFFFAOYSA-N 379.241 4.777 0 40 GJAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1csc(-c2ccccn2)n1 61620206 RLBWNKKNHNMYKY-UHFFFAOYSA-N 378.501 4.838 0 40 GJAB O=C(CSc1ccccc1F)N1N=C(c2ccco2)C[C@@H]1c1cccs1 69303841 LRQAKJRCNLCFQW-OAHLLOKOSA-N 386.473 4.950 0 40 GJAB Cc1nc(NCCCc2ccc(F)cc2)cc([C@H](C)Cn2nc(C)c(C)c2C)n1 72373203 OTKXVVFHMPLMFJ-OAHLLOKOSA-N 395.526 4.894 0 40 GJAB COc1cc(CNC(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1F 72427748 GWBVQWNOPOSRNG-UHFFFAOYSA-N 399.849 4.997 0 40 GJAB COC(=O)N(C)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1 83869365 DPIHIFRQSJBUAC-UHFFFAOYSA-N 392.480 4.969 0 40 GJAB Cc1cc(C)n(-c2ccc(CNc3cc(Cl)ccc3N3CCOCC3)cc2)n1 95964804 WOCSQQUYQRDXJJ-UHFFFAOYSA-N 396.922 4.591 0 40 GJAB O=C(NC1CCCCCC1)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1 96038101 KJWCMKRNBHWKCR-UHFFFAOYSA-N 399.498 4.640 0 40 GJAB Cc1c(-c2nnc3sc(-c4cccc(N(C)C)c4)nn23)oc2ccccc12 96194230 KXNLREYFOBIRSA-UHFFFAOYSA-N 375.457 4.640 0 40 GJAB Cc1cccc(N2C(=S)N=C(Nc3ccccc3)[C@]23CCOC(C)(C)C3)c1 97969086 JWLKSHHTMJWYLD-JOCHJYFZSA-N 379.529 4.938 0 40 GJAB CCNc1c(NC(=O)Nc2ccc(F)c(Cl)c2)c(=O)oc2ccccc12 101094220 OERKGMLATYLZPZ-UHFFFAOYSA-N 375.787 4.661 0 40 GJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1[C@H](C)CCC[C@H]1C 108940683 UNNRRZKPNGRMTD-UPJWGTAASA-N 397.466 4.919 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219314130 ODXDUCHDDNAPSW-RTBURBONSA-N 383.488 4.580 0 40 GJAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C 223380198 IBTMIBYGPWLORS-VXKWHMMOSA-N 390.556 4.693 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCOc2cccc3ccccc23)ccc1Cl 223570750 RFNRNSVNDIDQOC-INIZCTEOSA-N 383.875 4.764 0 40 GJAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224010899 OCZFFGACLQHBHF-KRWDZBQOSA-N 375.896 4.536 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1cc(C)ccc1C 224043204 JKSBLSDISGJRLR-NRFANRHFSA-N 383.532 4.954 0 40 GJAB O=C(NCC1CCCCC1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224539616 FXHARGSOLAMVJG-UHFFFAOYSA-N 383.363 4.902 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 225518741 LUWMPNOJCKPKGB-NFBKMPQASA-N 394.559 4.568 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1OC 225755482 DAEJATFBTKJGBB-UHFFFAOYSA-N 381.472 4.713 0 40 GJAB Cc1ccc(CCC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C 225766917 AYNVDKYRTUIANP-UHFFFAOYSA-N 391.515 4.900 0 40 GJAB Cc1cc(C)cc(NC(=O)c2snnc2-c2ccc(Br)cc2)c1 225783162 HJHLASDRXIONKC-UHFFFAOYSA-N 388.290 4.837 0 40 GJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225821948 KDZHADUIIPGUSL-VFNWGFHPSA-N 379.497 4.574 0 40 GJAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)cc1 240002260 PQIKPTVUDKLXJI-FPOVZHCZSA-N 380.900 5.952 0 40 GJAB CC[C@@H](C)[C@@H](NC(=O)c1cc2ccccc2c(=O)s1)c1nc2ccccc2[nH]1 1565519807 IDMKBFVNIZCOMT-BFUOFWGJSA-N 391.496 4.655 0 40 GJAB COc1cc(C)cc(C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)c1O 1631848609 ZEENZAMVKCVCOQ-INIZCTEOSA-N 377.440 4.993 0 40 GJAB O=C1NC(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)S1 1005051 XQTSESLEAASMKJ-VIZOYTHASA-N 380.252 4.896 0 40 GJAB O=c1c2ccccc2nc(-c2ccccc2Br)n1-c1ccccc1 1251929 BLJRZIALMIIBNM-UHFFFAOYSA-N 377.241 4.815 0 40 GJAB COc1ccc(OCc2oc3ccc(OC)cc3c2C(=O)N2CCCCC2)cc1 1442220 PDEJAJHOASTCPY-UHFFFAOYSA-N 395.455 4.655 0 40 GJAB CC(C)(C)C(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 2239526 LIKCIYKMPFKYJC-UHFFFAOYSA-N 389.249 4.948 0 40 GJAB CCOc1ccccc1OCCC(=O)Nc1ccc(Br)c(C)c1 2621495 HLXNBXSIBLSNLD-UHFFFAOYSA-N 378.266 4.564 0 40 GJAB CC(=O)c1cc(F)ccc1OCC(=O)Nc1cccc(Oc2ccccc2)c1 3431444 XGZAIRZJIMUMBY-UHFFFAOYSA-N 379.387 4.838 0 40 GJAB Cc1cc(C)c(NC(=O)c2cccc(I)c2)c(Cl)c1 3556488 NEQWHEFPSRVSFH-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB CCCCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2ccccc2C)s1 4982418 FLJROFYTKSUYPX-UHFFFAOYSA-N 395.528 4.898 0 40 GJAB CC(C)c1ccccc1NC(=O)c1cc2cc(Br)ccc2oc1=O 5523015 LWZVGESDJPDUKU-UHFFFAOYSA-N 386.245 4.931 0 40 GJAB O=c1[nH]c2ccccc2n1CCCSc1ncc(C(F)(F)F)cc1Cl 5959368 ZJWANLJPMXEDLE-UHFFFAOYSA-N 387.814 4.579 0 40 GJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(SC)cc1 6753008 OAKSZCFFLZBAPI-NRFANRHFSA-N 393.512 4.850 0 40 GJAB O=S(=O)(NCCSCc1ccccc1Cl)c1ccc2ccccc2c1 6886230 RLPVCDICPWUWKJ-UHFFFAOYSA-N 391.945 4.705 0 40 GJAB Cc1ccc(-c2noc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 7605436 GYEWEMHWLVRHRF-UHFFFAOYSA-N 393.390 4.795 0 40 GJAB Cc1cccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1C 7928800 DXGGRBRGWVRTMG-ZDUSSCGKSA-N 378.255 4.569 0 40 GJAB CCc1cc(=O)oc2cc(OCc3nc(-c4ccc(Cl)cc4)no3)ccc12 8224019 VETJPOPWVINAGB-UHFFFAOYSA-N 382.803 4.638 0 40 GJAB CC(=O)Nc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 8312899 LTJFKQGPJLPLSF-UHFFFAOYSA-N 377.469 4.784 0 40 GJAB CSc1nsc(SCC(=O)c2ccc([C@@H]3CC3(Cl)Cl)cc2)n1 9146289 PHINRELIYFULFS-JTQLQIEISA-N 391.370 4.896 0 40 GJAB Cc1ccc(COc2ccccc2C(=S)NCc2ccc3c(c2)OCO3)cc1 9188141 ZGRFBHGGXAVFJX-UHFFFAOYSA-N 391.492 4.768 0 40 GJAB C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1ccc(-n2ccnc2)cc1 9466628 LROVKMODKZLXKZ-IBGZPJMESA-N 397.478 4.796 0 40 GJAB CCCn1ccnc1S[C@@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 11223217 QFQZUYKOBTXZTA-HXUWFJFHSA-N 393.512 4.968 0 40 GJAB Cc1cc2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3)n2c2c(C)cccc12 11903200 LUFVWTFJXPKDGO-CQSZACIVSA-N 394.475 4.758 0 40 GJAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1cccc(Br)c1)N3 12522006 XXXOJNJUQZWXMQ-HNNXBMFYSA-N 388.290 4.530 0 40 GJAB c1ccc2c(c1)[nH]c1nnc(Sc3ncnc4sc5c(c34)CCCCC5)n12 12557725 FUUKEALMLDPDLY-UHFFFAOYSA-N 392.513 4.635 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)NC(C)C)c2c(-c3cccs3)csc2n1 14198676 AMLVDMDRQJKRIQ-JTQLQIEISA-N 377.560 4.733 0 40 GJAB CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(CCc2cccs2)c1C 14218192 VSXKJXUQLWOFHI-UHFFFAOYSA-N 396.512 4.629 0 40 GJAB Cc1ccc(-c2nc(NC(=O)C3=COCCO3)sc2-c2ccc(C)cc2)cc1 14502123 WDFJWQNHAWWPOU-UHFFFAOYSA-N 392.480 4.921 0 40 GJAB CC(C)n1nc(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2c1=O 14824715 NYULIFHVNIETHW-UHFFFAOYSA-N 376.243 4.537 0 40 GJAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(N3CCCC3)cc2)s1 15840207 APPJAOZYHDKAQK-UHFFFAOYSA-N 383.542 4.961 0 40 GJAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 20142001 SYYWMTYODVCCMJ-HNNXBMFYSA-N 395.455 4.877 0 40 GJAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 23397139 BZIIWQMERMJOHO-UHFFFAOYSA-N 379.460 4.748 0 40 GJAB O=C1N[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)Nc2ccccc21 23622817 WFDZXDCOKLVITH-HXUWFJFHSA-N 382.822 4.912 0 40 GJAB COc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)c(OC)c1 23724622 NXUQETQJUOSFKC-STZFKDTASA-N 399.446 4.740 0 40 GJAB COc1ccc(NC(=O)c2cc3ccccc3c(Cl)n2)cc1OC(F)F 24575808 CZQGNXQCCBAROM-UHFFFAOYSA-N 378.762 4.751 0 40 GJAB C[C@H](Sc1ncnc2ccsc12)C(=O)Nc1nc(-c2ccccc2)cs1 26954644 IBSBCLXNEQPFAU-NSHDSACASA-N 398.538 4.934 0 40 GJAB CCN(CC)[C@H](CNC(=O)COc1cccc(C)c1)c1ccc(C(C)(C)C)cc1 28290581 ONVGGUGVFWILKS-HSZRJFAPSA-N 396.575 4.871 0 40 GJAB O=C(c1cccs1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 30181507 GQPVJZAIVNIEGO-UHFFFAOYSA-N 386.517 4.574 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)OC)c1C 30755838 RJDPOLGLMCYHSL-OAQYLSRUSA-N 377.440 4.731 0 40 GJAB O=C(c1ccc(NCc2ncc(-c3cccc(Cl)c3)o2)cc1)N1CCCC1 32770303 WKMMIDFYTAMMRR-UHFFFAOYSA-N 381.863 4.843 0 40 GJAB Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36046377 ALQIHKKHRCNQNN-MQIPJXDCSA-N 390.940 4.526 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc(OCC)c1OCC 38489957 NJQKFEWVSSMSFJ-UHFFFAOYSA-N 395.459 4.525 0 40 GJAB COc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 38834245 FXHIJHFHZIPBPJ-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB C[C@@H](NC(=O)N1CCC(c2ccc(O)cc2)CC1)c1cccc(OC(F)F)c1 46608154 YWTHUBVLFSXKFI-CQSZACIVSA-N 390.430 4.644 0 40 GJAB COc1cccc2c(Nc3ccc(F)c(F)c3)cc(C(=O)N3CCCCC3)nc12 49003008 SGSWIRIYHPZIAV-UHFFFAOYSA-N 397.425 4.891 0 40 GJAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1Cc1cn2ccsc2n1)OCCO3 58159889 QWMSSZBXCOUCIK-OAHLLOKOSA-N 395.528 4.556 0 40 GJAB CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1nc(C(C)=O)cs1 72283603 XWFWYXKFOPKLLO-UHFFFAOYSA-N 399.438 4.853 0 40 GJAB CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(CCCc2ccccc2)C1 72350654 NMUKASUATLUVPG-NRFANRHFSA-N 389.547 4.598 0 40 GJAB O=S(=O)(c1ccccc1C(F)(F)F)N(C1CC1)[C@@H]1CCc2ccccc21 84581875 KKWFRZNKKZJPPJ-QGZVFWFLSA-N 381.419 4.546 0 40 GJAB CC1(C)[C@@H]2CC[C@]1(C)c1c2c(C(=O)NCc2ccccc2)nn1-c1ccccc1 100715868 WXQYVBSPRKJFIZ-KBMIEXCESA-N 385.511 4.977 0 40 GJAB C[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)CCCC2 222975973 PYCFOKWBFIIEFA-GOSISDBHSA-N 394.534 4.794 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)c1 223027344 ADLJEVRYBPYWFG-SFHVURJKSA-N 375.852 4.621 0 40 GJAB Cc1ccc(OCCNC(=O)c2cccc(OCc3ccccc3)c2)c(C)c1 224270944 HPDZPTYGAWIBBD-UHFFFAOYSA-N 375.468 4.691 0 40 GJAB CCOc1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1 225295730 XXGCMMLYYLBGAL-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccc2-n2ccnc2C)c1 225513319 LKGFOBJRNPZCLZ-GOSISDBHSA-N 391.515 4.696 0 40 GJAB O=C(NCc1cncc(-c2cccs2)c1)c1cc(Br)cs1 225667609 FJAAOJHUJMQBFP-UHFFFAOYSA-N 379.304 4.564 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(OC)c(OC)c1 225719289 AKICSBFOGQTESK-HNNXBMFYSA-N 382.888 4.934 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C(=O)OC 225840522 XOGLYZOEPGETFU-JOCHJYFZSA-N 393.524 4.822 0 40 GJAB NNc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1 226310635 RAPUSQOZCXKOQD-UHFFFAOYSA-N 387.679 4.794 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)c1ccc(-c2ccsc2)cc1 253402671 ONDGCANJDMSYNT-IBGZPJMESA-N 398.553 4.528 0 40 GJAB O=C(Nc1cccc(F)c1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408675643 KDBFWQYYABYOBM-UHFFFAOYSA-N 376.362 4.706 0 40 GJAB CC1CCN(C2CCC(NC(=O)C(C)(C)c3ccc(Cl)cc3F)CC2)CC1 622460100 DBJKLKWKKSFGSN-UHFFFAOYSA-N 394.962 4.916 0 40 GJAB Fc1ccc(OCc2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)cc1 632925 CLVCWFFURFMOMP-UHFFFAOYSA-N 394.353 4.590 0 40 GJAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1cccc(O)c1 872705 HPXVHFIDDCJASM-UHFFFAOYSA-N 387.464 4.733 0 40 GJAB CN(C)c1ccc(-c2nn3c(-c4ccc(C(C)(C)C)cc4)nnc3s2)cc1 2382561 WDXXGLUNGFXLJN-UHFFFAOYSA-N 377.517 4.883 0 40 GJAB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1F 2385533 VNAJGEBUNBYYPY-UHFFFAOYSA-N 387.505 4.748 0 40 GJAB Cc1occc1-c1nnc(SCC(=O)c2ccc(NC(=O)CC(C)C)cc2)o1 2655852 OUHKGMUKKHKWGP-UHFFFAOYSA-N 399.472 4.598 0 40 GJAB Cc1ccc2c(c1)CCCN2C(=O)c1cc(Br)ccc1OC(F)F 2791300 ABOGMKWCLCXTJE-UHFFFAOYSA-N 396.231 4.952 0 40 GJAB O=c1c2sc3ccccc3c2[nH]c(=S)n1CCc1c[nH]c2ccccc12 2961697 BZMNQQVYEPRTBC-UHFFFAOYSA-N 377.494 4.998 0 40 GJAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1C 3293994 DFWSCGROHNXAKN-LBPRGKRZSA-N 398.286 4.659 0 40 GJAB Cc1cc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)ccc1Br 3451540 LVDMVJYKHWZWRB-JTQLQIEISA-N 385.664 4.989 0 40 GJAB Cc1ccc(CSc2nc3c(c(=O)n2CCc2ccccc2)SCC3)cc1 4358810 QQWVWVPNQWSNIT-UHFFFAOYSA-N 394.565 4.735 0 40 GJAB Cc1cc(NC(=O)C2(c3cccs3)CCOCC2)ccc1Br 4478974 NNLOHNTXCWDZNP-UHFFFAOYSA-N 380.307 4.506 0 40 GJAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cccc(Cl)c1 4696183 LFOLUPQTXJJKEN-UHFFFAOYSA-N 380.256 4.676 0 40 GJAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OC(C)C)c(Cl)c3)C2=O)c1 4700766 IWLHCLBBUHFUGE-WOJGMQOQSA-N 384.863 4.529 0 40 GJAB CCOc1ccc(-c2cn3c(CC(=O)N4CCCC[C@@H]4CC)csc3n2)cc1 5146959 ZPVOHEZKSMZFIZ-KRWDZBQOSA-N 397.544 4.795 0 40 GJAB CC(=O)Nc1ccc(SCC(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 6876291 LISMPUZBXWPQHZ-UHFFFAOYSA-N 385.514 4.602 0 40 GJAB COc1ccc(OC)c(N(CC(=O)c2ccc(F)cc2)C2=NCCCCC2)c1 7275127 IWJHTLHNTHQOKK-UHFFFAOYSA-N 384.451 4.505 0 40 GJAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2cccs2)cs1 7533060 VGJPGIZCGZOQPE-UHFFFAOYSA-N 386.498 4.863 0 40 GJAB COc1ccc(-c2csc(NC(=O)/C=C/c3cccc(F)c3)n2)cc1OC 7593690 HMWLKIAJBWXTJZ-RMKNXTFCSA-N 384.432 4.618 0 40 GJAB Cc1cccc(OCCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)c1 8606502 YDFNMNHJAQALBS-UHFFFAOYSA-N 393.531 4.519 0 40 GJAB Cc1ccoc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 8710418 CAPBUJYUZZDVEI-FQEVSTJZSA-N 387.483 4.697 0 40 GJAB CC(C)CNC(=O)Cc1csc(SCc2ccc(Br)cc2)n1 8854521 IKQSOHUSMYDUKL-UHFFFAOYSA-N 399.379 4.513 0 40 GJAB CC(C)C[C@H](NC(=O)Cc1cccc(F)c1)c1nc2cccnc2n1C(C)C 12114121 YAJZWZKBHJLSSH-IBGZPJMESA-N 382.483 4.597 0 40 GJAB COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OCCc1ccccc1 12371663 CSRTWGONOQTODF-KRWDZBQOSA-N 379.481 4.852 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1 12563973 LFLXUCAIUSZMLB-ZDUSSCGKSA-N 379.485 4.760 0 40 GJAB CSCc1c(C(=O)N[C@@H](c2ccccc2)c2nccn2C)oc2ccccc12 12746711 KCBGODWPZFZISN-IBGZPJMESA-N 391.496 4.549 0 40 GJAB Cc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Cl 12749559 UCZMDDXFZWJGOX-DXRVJIQQSA-N 382.891 4.539 0 40 GJAB CCn1ncc2c(C(=O)Nc3ccc(F)c(F)c3)cc(-c3cccs3)nc21 12755053 NJWZIMAYLCTJSN-UHFFFAOYSA-N 384.411 4.710 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1Cl 12784530 HSFUKLVLEIYKGY-UHFFFAOYSA-N 383.791 4.706 0 40 GJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCC1(c2ccccc2)CCC1 12914090 DSYHSDCCLIATFN-UHFFFAOYSA-N 395.890 4.561 0 40 GJAB Cc1ccc(-c2ccsc2C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 12938101 LSUJBQYLURYCKZ-HNNXBMFYSA-N 399.537 4.618 0 40 GJAB COc1ccc2nc(-c3nn4c(-c5ccc(Cl)cc5)nnc4s3)ccc2c1 13721397 ZXGBEVDANGNVMI-UHFFFAOYSA-N 393.859 4.730 0 40 GJAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1O 15016188 RLWIRDNDTRAHJH-IERDGZPVSA-N 378.453 4.705 0 40 GJAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1Cl)c1ccc(F)cc1 19349765 RXTJXJVHWVEZRL-IBGZPJMESA-N 383.854 4.531 0 40 GJAB CCCC(=O)Nc1cc2nn(-c3ccc(N(CC)CC)cc3C)nc2cc1C 20611066 XLOAAGGXMXKMOQ-UHFFFAOYSA-N 379.508 4.622 0 40 GJAB C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCc2ccccc21 20978951 KSISRKXSTZFRMP-LBPRGKRZSA-N 378.255 4.518 0 40 GJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2c(c1)OCCCO2 22394049 UEBKBHKLZYVOGT-UHFFFAOYSA-N 385.423 4.644 0 40 GJAB Cc1ccc(Cn2nccc2NC(=O)COc2cc(Cl)ccc2Cl)cc1 24764572 XEGBOWYVLPMJLQ-UHFFFAOYSA-N 390.270 4.564 0 40 GJAB C[C@@H](OCCCNC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1 24841432 SNFPGDKRWVIRPD-OAHLLOKOSA-N 386.542 4.698 0 40 GJAB CCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)c1 27663874 JORLZVQMUWWNQR-OAQYLSRUSA-N 386.923 4.696 0 40 GJAB CCc1ccc([C@H](C)NC(=O)CSCc2nc(-c3ccccc3C)no2)cc1 31423178 UMHULISJSZBVKZ-INIZCTEOSA-N 395.528 4.718 0 40 GJAB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c2cccnc12 32593291 QTPBLACEQMKHHI-UHFFFAOYSA-N 391.254 4.958 0 40 GJAB COc1ccc(CC(=O)Nc2cccc(-c3noc(-c4ccccc4)n3)c2)cc1 32609621 KIKZTSHHOMATOI-UHFFFAOYSA-N 385.423 4.593 0 40 GJAB Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 33516390 YMTLUABSWPZFMG-UHFFFAOYSA-N 378.284 4.764 0 40 GJAB Cc1ccc(NC(=O)N2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2C)C3)cc1 35291887 ORDHVRKHJKKGBF-SEJPIABJSA-N 391.515 4.651 0 40 GJAB Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCC[C@H](C)C3)c(O)n2n1 36046380 PWSSKSYDSPYWTM-KBXCAEBGSA-N 384.549 4.750 0 40 GJAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Cn2ccnc2)cc1 38860710 RRNIDIQQIWGMFG-UHFFFAOYSA-N 390.668 4.600 0 40 GJAB Cc1ccc(N2CCN(CC(=O)Nc3ccccc3-c3ccccc3)C2=O)cc1 49026120 QXEHDQRLDHRYCA-UHFFFAOYSA-N 385.467 4.543 0 40 GJAB CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccccc1 49030284 ABVZGMOLMDJQEB-WOJBJXKFSA-N 392.499 4.596 0 40 GJAB Cc1cc(C)cc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 67299167 RQQPJNAQXDVTDW-BZZOAKBMSA-N 388.423 4.511 0 40 GJAB O=C(COc1ccc(Cl)c2ccccc12)N1CC=C(c2ccc(O)cc2)CC1 70017712 KATHZFUISLSTEF-UHFFFAOYSA-N 393.870 4.894 0 40 GJAB O=C(CCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72358646 MQGLCYNKXAJBSP-HXUWFJFHSA-N 389.474 4.622 0 40 GJAB CC(C)[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(C2CCCCC2)cc1 78990866 RVMSPDOHVFEOCG-BJKOFHAPSA-N 398.591 4.801 0 40 GJAB COc1ccc2nc(Nc3ccc(I)cc3)sc2c1 95082234 ZKROCIZIJRMVCY-UHFFFAOYSA-N 382.226 4.653 0 40 GJAB Cc1nnc(-c2cccc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)c2)o1 95961686 HZHZFKTWYRXQEM-UHFFFAOYSA-N 394.431 4.868 0 40 GJAB Cc1nc(-c2cccc(C(=O)Nc3ccc4nc(-c5ccccn5)oc4c3)c2)no1 95991396 CFIIYEORQLBMEJ-UHFFFAOYSA-N 397.394 4.501 0 40 GJAB CC(=O)Nc1ccc(C(=O)COc2ccc3occ(-c4ccco4)c3c2)cc1 96116556 PCWORVSBTRIEMM-UHFFFAOYSA-N 375.380 4.913 0 40 GJAB biogenic CCN(C(=O)Cn1cccc1-c1nc(-c2ccccc2)no1)c1cccc(C)c1 98211309 JTNGCSOUQJWQGD-UHFFFAOYSA-N 386.455 4.567 0 40 GJAB CC(=O)c1cccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 100419721 WCOZCRYTFNNJML-GOTSBHOMSA-N 391.515 4.596 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)c2c(C)c(C)sc2n1 103996450 CYKWSVNVISFDHO-GYSYKLTISA-N 377.579 4.602 0 40 GJAB CCc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1 105338700 NRVUXCIWFKMFPD-LBPRGKRZSA-N 396.712 4.921 0 40 GJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CC(=O)C(F)F 118935338 ZAXCQRPFYWCZNH-VFQCQSIRSA-N 394.502 4.720 0 40 GJAB CC(C)Oc1cccc(CNC(=O)c2cccc(OCc3ccccc3)c2)c1 218977326 CBMCTRBDRAZPLU-UHFFFAOYSA-N 375.468 4.983 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)c(C)c1 222799881 BLWFVNTVBJKQTM-UXHICEINSA-N 396.947 4.827 0 40 GJAB C[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCC2 223224227 LAMXOKFAYDJGHJ-QGZVFWFLSA-N 396.962 4.918 0 40 GJAB O=C(COc1cccc2c1CCCC2)NCCSc1ccc(Cl)cc1 223281429 XJDGTNGTEUOJDE-UHFFFAOYSA-N 375.921 4.506 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(OC)cc2OC)cc1 225497884 UMGXSAIXRXLWAH-IBGZPJMESA-N 388.533 4.786 0 40 GJAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2cccnc2-c2cccs2)c1C 225762735 RLVPAWBRHZVHQS-UHFFFAOYSA-N 386.542 4.522 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 225802030 NZGFDELIGSJNTO-NRFANRHFSA-N 379.497 4.576 0 40 GJAB CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)nc2)ccc1OC 408604630 HKLKRXJFEKCLMG-JLHYYAGUSA-N 390.439 4.933 0 40 GJAB CN1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2Cl)CC1 408628881 GHLAOLHFNYEOTC-UHFFFAOYSA-N 398.721 4.651 0 40 GJAB Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCc3ccncc3)cc2)C1 575590528 SVPWCEBRTFJXRW-SIKLNZKXSA-N 386.495 4.987 0 40 GJAB COc1ccc([C@H](NC(=O)Nc2cccc3c2ccn3C)C(C)C)cc1OC 604418891 RTWOIGZGTIRRDF-OAQYLSRUSA-N 381.476 4.714 0 40 GJAB Cc1ccncc1CC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 622781077 FYRBMRQJUUVXTI-IYBDPMFKSA-N 399.922 4.628 0 40 GJAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cc(OC)ccc1OC 1547205842 SUXXMXLMLJRNQI-HXUWFJFHSA-N 399.487 4.711 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)Nc1c(F)cccc1F 1775967602 XQAPSRCVJNOTCF-ZDUSSCGKSA-N 380.441 4.610 0 40 GJAB CC(C)c1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1CCCC2 1258126 DIULBFYJCHGGJY-ZDUSSCGKSA-N 382.533 4.833 0 40 GJAB Cc1nc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nc(C)c1C 2660726 LKNVPEWXXONBGB-UHFFFAOYSA-N 385.558 4.905 0 40 GJAB CCCN(CC1CC1)C(=O)CSc1nnc(Nc2c(C)cccc2C)s1 3316183 GLHQMKVASYZNEP-UHFFFAOYSA-N 390.578 4.639 0 40 GJAB O=C(C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)O)c1ccc(Cl)cc1 4118478 QDAYOEKOUYVBQZ-FQEVSTJZSA-N 393.870 4.745 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CC[C@@H](C)C2 4612034 XBAQWDFQVMWKEY-XYPHTWIQSA-N 383.513 4.792 0 40 GJAB CC1=C(C)C[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)[C@H](C(=O)O)C1 5126517 XZVJWQOWGPKPOJ-HZPDHXFCSA-N 388.464 4.643 0 40 GJAB aggregator O=C(OCc1nc(-c2ccccc2)no1)c1cc2c(s1)-c1ccccc1OC2 5305795 CILWRAPGOXHEHP-UHFFFAOYSA-N 390.420 4.715 0 40 GJAB CCN(CC)CCCNc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12 5346455 VBIBOXYVHCAAJQ-UHFFFAOYSA-N 380.448 4.887 0 40 GJAB O=C(CSc1ncnc2sccc12)OCc1csc(-c2ccccc2)n1 5563088 QALNYLNAANHIQS-UHFFFAOYSA-N 399.522 4.650 0 40 GJAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl 6559242 SAWFPINGBGUJAT-OAHLLOKOSA-N 386.710 4.761 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)COc1ccccc1C(=O)NCc1ccccc1 6785491 DCQYXLGMTZDIDG-UHFFFAOYSA-N 398.462 4.668 0 40 GJAB Cc1cc(OC(=O)c2cc(Br)ccc2Cl)n(-c2ccccc2)n1 6880716 LCYBERKOHDFTMM-UHFFFAOYSA-N 391.652 4.816 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1ncccn1)c1ccccc1 6913799 NBLQZUDRWCFPIB-INIZCTEOSA-N 389.402 4.968 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(F)c(F)cc1Cl 6993851 SRWVWOYNSLSXGT-UHFFFAOYSA-N 394.786 4.723 0 40 GJAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(C)s1 7192655 LBDWNCCNNKRWCH-UHFFFAOYSA-N 389.546 4.566 0 40 GJAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1 7763669 RBPVCSSBFXHBBK-LBPRGKRZSA-N 385.514 4.714 0 40 GJAB COc1ccc(CN(Cc2cccs2)C(=O)Cc2cccc(F)c2)cc1OC 7988303 SBWQZTZKTDOWDM-UHFFFAOYSA-N 399.487 4.676 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C)cc3C)c2)cc1 8207711 YWGCFHFATLMFDB-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCN(CC)c1ccc(-c2nnc(SCc3cn4cc(C)ccc4n3)o2)cc1 8725187 JACXNWYHIOYCOG-UHFFFAOYSA-N 393.516 4.831 0 40 GJAB CCCSc1ccccc1C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 8782419 WOMBPOHJYWFZJB-UHFFFAOYSA-N 399.541 4.892 0 40 GJAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3nc4ccc(Cl)cc4s3)oc2c1 8995338 RPXPLPIANOPQCA-UHFFFAOYSA-N 384.844 4.925 0 40 GJAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1Cl 10456659 ADSHZMANSINGRS-UHFFFAOYSA-N 377.315 4.909 0 40 GJAB O=C(c1ccc(CN2CCCCC2)o1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12116127 FLOYVMOSBALPQG-HXUWFJFHSA-N 392.503 4.509 0 40 GJAB CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 12558114 UTRKISLBLADDRM-JTSKRJEESA-N 380.513 4.663 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 12753073 UMFWIHWJVCVCGU-HNNXBMFYSA-N 385.895 4.523 0 40 GJAB CC[C@@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(Br)cc1 12971746 PVOMBNUWRRFLPE-CQSZACIVSA-N 392.322 4.587 0 40 GJAB CCn1c(Cc2ccccc2)nnc1SCc1cccc(Br)c1 14091425 WROCFVHYOXUERF-UHFFFAOYSA-N 388.334 4.944 0 40 GJAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cc(=O)c2ccccc2o1 14912278 BQKFMHUZUJBPQH-UHFFFAOYSA-N 382.847 4.689 0 40 GJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCSCc3ccccc3)cc2)C1 20456836 MEAFZWXFMKKBEP-LJQANCHMSA-N 382.573 4.582 0 40 GJAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccccc1F 21533491 YVQAXVDUWJJIAG-UHFFFAOYSA-N 375.856 4.704 0 40 GJAB CC(C)c1csc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 24715221 ROYVQIOIQMPXDD-UHFFFAOYSA-N 398.454 4.535 0 40 GJAB CN(C)[C@H](CNC(=O)CC(c1ccccc1)c1ccccc1)c1ccsc1 25330194 NGQXBRKFPSGYQZ-JOCHJYFZSA-N 378.541 4.689 0 40 GJAB C[C@H]1Cc2cc(-c3cc(C(=O)Nc4nc5ccc(F)cc5s4)no3)ccc2O1 27992288 IKEWENRILVUDGV-JTQLQIEISA-N 395.415 4.666 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(F)cccc3s2)c(C)c1 30396142 ZOEZHTANQYBACE-UHFFFAOYSA-N 384.476 4.676 0 40 GJAB Cc1cccc(OCCNC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 31031464 UEFXNBINXDNGIL-UHFFFAOYSA-N 395.484 4.509 0 40 GJAB CC1CCC(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)CC1 31423732 WRICFARBZHVTII-UHFFFAOYSA-N 378.925 4.923 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)cc(C)c1Cl 32624281 CYHNIZZQPLTLFS-GFCCVEGCSA-N 389.814 4.552 0 40 GJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1ccc2nnc(C(F)(F)F)n2n1 32779299 WDSWZHFAYYWGDZ-QMMMGPOBSA-N 390.196 4.647 0 40 GJAB O=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccccc1Cc1ccccc1 48343837 GNUUNRKMLYEHQP-UHFFFAOYSA-N 396.494 4.844 0 40 GJAB Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1 54114358 RZMUKHRIQCNNCT-RUZDIDTESA-N 382.511 4.783 0 40 GJAB Cn1c(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc(Cl)c1Cl 58431121 FLVWWLKBQXJEJZ-UHFFFAOYSA-N 394.233 4.588 0 40 GJAB Cc1cccc(-n2nc(-c3nc(-c4ccc(F)cc4)no3)c3ccccc3c2=O)c1 64949755 VSVLUNJRKDIDQD-UHFFFAOYSA-N 398.397 4.550 0 40 GJAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1nc(-c2cccs2)oc1C 65566468 JFXNKSJRHYCBPB-UHFFFAOYSA-N 392.440 4.855 0 40 GJAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72356060 KEWHFNYREOVBRC-QHCPKHFHSA-N 385.511 4.704 0 40 GJAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 72356085 FQZKRMKNGVXVBF-NRFANRHFSA-N 389.474 4.535 0 40 GJAB FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)c1 72358624 QVUSLNPAGXFFNA-QGZVFWFLSA-N 398.432 4.937 0 40 GJAB C[C@H](CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 72398583 DZGPRMSLAPSDCD-NWSQWKLXSA-N 393.575 4.801 0 40 GJAB CC(=O)c1cccc(OCCCC(=O)N(CCC(F)(F)F)C2CCCC2)c1 79055289 ZDMMXJXCKBEDPH-UHFFFAOYSA-N 385.426 4.772 0 40 GJAB Cc1cccc(OC(F)F)c1NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 89688831 XKTZSLLUCPKTJS-HNNXBMFYSA-N 396.821 4.935 0 40 GJAB COC(=O)C[C@@H](CC(C)C)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96115867 GVFPHGIBKMIWQH-OAHLLOKOSA-N 396.439 4.564 0 40 GJAB biogenic O=C(Cc1ccsc1)Nc1ccccc1Cc1nc(-c2cccs2)no1 96358334 RDJXDPROUQGODE-UHFFFAOYSA-N 381.482 4.632 0 40 GJAB CCCOc1ccc(C[C@@H]2C(=O)N(CC)c3ccc(Br)cc32)cc1 101014095 YYTJGHPMJXOERP-SFHVURJKSA-N 388.305 4.931 0 40 GJAB COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@@H](c3ccccc3)CC(O)=C21 102836400 QDHZAFKNLXOYNA-VLIAUNLRSA-N 388.427 4.707 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)cc1Cl 219593867 VOPFZHIFTIXTAX-GOSISDBHSA-N 375.852 4.621 0 40 GJAB Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c1 223932653 RTAHOAAJJQMFSO-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1 223934494 CLNBLJRUFJRIQW-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c(C)c1 223973216 BESQXMOFSRQQBT-QFIPXVFZSA-N 395.524 4.688 0 40 GJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1cccc(CN2CCCC2)c1 224619017 NNWODLRVWSYSDV-IBGZPJMESA-N 388.511 4.519 0 40 GJAB Cc1ccc(OCCCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 225353683 BCNRXRYZHGZDNF-UHFFFAOYSA-N 387.892 4.965 0 40 GJAB CCOc1ccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1OCC 225528405 NMKVNCCJRJZMQD-UHFFFAOYSA-N 398.450 4.989 0 40 GJAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(Br)cc1F 225636182 TYCVOEFPOBTYSZ-LBPRGKRZSA-N 397.313 4.651 0 40 GJAB CCC1(CC)C[C@H](NS(=O)(=O)Cc2cccc(Cl)c2)c2ccccc2O1 225737440 DSMDDVOMCKBPOD-SFHVURJKSA-N 393.936 4.842 0 40 GJAB Cc1cccnc1C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257296739 REEPQQYJDFSDGO-QGZVFWFLSA-N 395.890 4.642 0 40 GJAB CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c(O)c1 408624041 AQPRMLIDGZEZDJ-UHFFFAOYSA-N 397.500 4.902 0 40 GJAB CO[C@@H](C(=O)NCCSCc1c(Cl)cccc1Cl)c1ccccc1 409026290 LAYDVVUQRSXHKX-QGZVFWFLSA-N 384.328 4.731 0 40 GJAB CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC 409057033 GISSTRBMZDEOLH-BOPFTXTBSA-N 389.860 4.988 0 40 GJAB C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCCN(Cc2ccccc2)CC1 513965658 CNGRBMZVWWIKKK-KRWDZBQOSA-N 396.535 4.613 0 40 GJAB Cc1ccc(CNCc2ccsc2C(F)(F)F)c(-n2cc(Cl)cn2)n1 527697697 SPXSQMZNLRQVLQ-UHFFFAOYSA-N 386.830 4.599 0 40 GJAB Cc1cc(C)nc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 1848353668 MNGUIJIUWOBPRY-QFIPXVFZSA-N 387.483 4.796 0 40 GJAB O=C(COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccccc1 836527 IYMSWLWJXJDPKO-UHFFFAOYSA-N 393.826 4.632 0 40 GJAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1OC 849030 MFHYHSQWDYJGMS-UHFFFAOYSA-N 387.439 4.808 0 40 GJAB CCSc1nnc2c(n1)O[C@H](c1ccc(SC)cc1)Nc1ccccc1-2 996496 LELGAMGQFDAVAC-QGZVFWFLSA-N 382.514 4.876 0 40 GJAB CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccccc1Br 1000820 RYVDCSIGIXSCCZ-UHFFFAOYSA-N 375.266 4.686 0 40 GJAB CC(=O)Oc1cc2c(cc1Br)[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@H]1CC2 1425516 IGZVPNAJLMAGND-XASIKMQRSA-N 391.305 4.800 0 40 GJAB O=C(COC(=O)CCc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 1972566 LZFBLWSIPMEICH-UHFFFAOYSA-N 375.424 4.593 0 40 GJAB CC(=O)OCCCN(C)CC/C=C1/c2ccccc2CSc2ccccc21 2049819 JUNITZPKTVZOBL-MTJSOVHGSA-N 381.541 4.999 0 40 GJAB CCCCCCn1c(N)c(C(=O)NCCCCC)c2nc3ccccc3nc21 2250991 WHCSJLLQWLVPRJ-UHFFFAOYSA-N 381.524 4.667 0 40 GJAB COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)cc1 2433546 MOYBEEWMQHUGQG-UHFFFAOYSA-N 377.469 4.965 0 40 GJAB COc1cccc(-c2nnc(S[C@H]3CCCCC3=O)n2-c2ccccc2)c1 2616332 JYULBTNDHZXGBN-IBGZPJMESA-N 379.485 4.547 0 40 GJAB CC(C)c1ccccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 2621391 XNZCOJGVADNTEM-UHFFFAOYSA-N 397.478 4.821 0 40 GJAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(F)c(F)c1 2625241 YONMQAYPOANVRH-UHFFFAOYSA-N 397.406 4.781 0 40 GJAB CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(SCc3cccc(F)c3)N2C1=O 2964554 XCPGOMWJQHEDEH-SCLBCKFNSA-N 381.476 4.764 0 40 GJAB Cc1cccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c1C 3302053 KZBKEJZWUBEINH-UHFFFAOYSA-N 375.424 4.891 0 40 GJAB CC(C)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1 3319973 SJLUVOCBRIGSEN-UHFFFAOYSA-N 382.485 4.534 0 40 GJAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 3370927 CLIWMCWBMSBGIT-UHFFFAOYSA-N 375.424 4.891 0 40 GJAB CN(c1ccccc1)S(=O)(=O)c1ccc(-c2nc3ccccc3s2)cc1 4263028 SDWNWKVJTVGXFC-UHFFFAOYSA-N 380.494 4.788 0 40 GJAB COc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 4843915 JNZWZNSUDQEGNE-UHFFFAOYSA-N 377.469 4.766 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 5702139 UFHKCOMXANKEHJ-HNNXBMFYSA-N 394.496 4.501 0 40 GJAB COc1ccc(-c2c(C)oc3cc(OCCN4CCCCC4)ccc3c2=O)cc1 6759071 LBNKTTVBEBPFDM-UHFFFAOYSA-N 393.483 4.642 0 40 GJAB biogenic C[C@@H](C(=O)Nc1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 6929218 GIWWCJGEJQEIGD-HJPURHCSSA-N 395.462 4.740 0 40 GJAB CCOC(=O)c1sc(NC(=O)c2oc3ccc(Cl)cc3c2C)nc1C 7063280 IDGJBZDIVGNWKR-UHFFFAOYSA-N 378.837 4.589 0 40 GJAB Cc1ccccc1-c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)o1 7179927 NPZLTRCQZYNIBX-SFHVURJKSA-N 379.485 4.501 0 40 GJAB COC(=O)c1c(CSc2nncs2)nc2ccccc2c1-c1ccccc1 7180570 UAWZOIFKXPKMDL-UHFFFAOYSA-N 393.493 4.832 0 40 GJAB CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2cc3ccccc3s2)cc1 7412977 AYXOWNFLTDPBLW-UHFFFAOYSA-N 395.480 4.926 0 40 GJAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1 7548147 AKNYVJWPXMJSSF-UHFFFAOYSA-N 378.497 4.812 0 40 GJAB CCCC[C@H](C)C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O 7660710 NHGHITVUZOKEHC-ZFWWWQNUSA-N 385.895 4.808 0 40 GJAB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)c(OC)c2)cc1 7884069 RTGJJAUECUCMIS-QFIPXVFZSA-N 390.439 4.571 0 40 GJAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1Cl 7927265 KPKNGCDWUQHBKO-AWEZNQCLSA-N 399.343 4.675 0 40 GJAB O=c1c(Cl)c(NCCCSc2ccc(F)cc2)cnn1-c1ccccc1 8188059 KOYFPZXLJNYQOG-UHFFFAOYSA-N 389.883 4.619 0 40 GJAB CNCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 8377001 OULLVEVMKNPEEG-UHFFFAOYSA-N 387.738 4.925 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1OCC 8493497 RXVNIOZRQZLDEK-UHFFFAOYSA-N 390.288 4.592 0 40 GJAB C/C=C/c1ccc(OCCCn2c(C(C)(C)O)nc3ccccc32)c(OC)c1 8786002 LCIJSFNBYBUOIP-WEVVVXLNSA-N 380.488 4.775 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)cc1 9625428 KHCPSTLXBQVXFU-UHFFFAOYSA-N 398.463 4.724 0 40 GJAB COc1cc(CCC2CCN(C(=O)Nc3ccccc3OC)CC2)cc(OC)c1 10407277 OCBDSIUIKXNHDQ-UHFFFAOYSA-N 398.503 4.589 0 40 GJAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc(Cl)c1Cl 10648257 FPZVRBFMONJFDK-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB O=C(CCc1nc2ccccc2s1)NCc1csc(-c2ccccc2)n1 10893764 HDDNZRTZRCZEEP-UHFFFAOYSA-N 379.510 4.669 0 40 GJAB COc1ccc(C)cc1NC(=O)c1cc(-c2cccs2)nc2onc(C)c12 11427350 GKWJPMVZYWYNGP-UHFFFAOYSA-N 379.441 4.829 0 40 GJAB COc1ccc(-c2nc(C)c3c(C)c(C(=O)N4CCCCC4)sc3n2)cc1 12388840 RKGQKYXOJZAOSF-UHFFFAOYSA-N 381.501 4.610 0 40 GJAB Cc1c(C(=O)N[C@H](c2ccccc2F)c2nccn2C)oc2c(Cl)cccc12 12535483 SVPQLBZFVWRDSO-QGZVFWFLSA-N 397.837 4.787 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)cc1 12798953 JHXZHFNBWITRFM-IIBYNOLFSA-N 392.524 4.659 0 40 GJAB Cc1ccc(C)c(OCCn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)c1 12811484 UWNUCBCLKZCVCF-UHFFFAOYSA-N 388.389 4.625 0 40 GJAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(Cl)c(C(F)(F)F)c1 12982325 CUGJPXYVNKNLFC-UHFFFAOYSA-N 390.814 4.569 0 40 GJAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)C1 12992888 NPPTXKOPUDSDGJ-LLVKDONJSA-N 384.332 4.934 0 40 GJAB COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cc(OC)c1 13140913 ARIOSGSBEOIGSR-XNTDXEJSSA-N 375.424 4.827 0 40 GJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14242363 LPPJBDHKUWVKPJ-GOSISDBHSA-N 393.414 4.834 0 40 GJAB COc1cc(C)c(NC(=O)c2noc(C)c2Cn2nc(C)cc2C)cc1C(C)C 19567184 UTUYYYGXGDJAHZ-UHFFFAOYSA-N 396.491 4.537 0 40 GJAB O=C(Nc1cccc(Br)c1)c1cccnc1NCCc1ccccc1 22072613 YARFFQHBTOUCHX-UHFFFAOYSA-N 396.288 4.751 0 40 GJAB CN(Cc1ccccc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C1CCCCC1 25154683 ABJUHALJTLHZCT-UFRUDQCGSA-N 382.548 4.785 0 40 GJAB COC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 30872119 BWPJLMFGXPIEDK-UHFFFAOYSA-N 384.284 4.652 0 40 GJAB COc1ccc2ccc3c(c2c1)CN1CCc2cc(OC)c(OC)cc2[C@@H]1C3 31829627 MUSWLDXMCFTNFG-QFIPXVFZSA-N 375.468 4.521 0 40 GJAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1cccs1 32610200 VZQBAYVHPQLIEL-UHFFFAOYSA-N 395.406 4.869 0 40 GJAB CCCOc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)N(C)CCC3)[nH]n1 35316556 YPDXAWKLDPUBST-UHFFFAOYSA-N 390.487 4.500 0 40 GJAB O=C([C@H]1CC=CCC1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 40072086 XSDXHIPZISJBQZ-KRWDZBQOSA-N 384.520 4.555 0 40 GJAB Cc1ccc(C)c(Oc2ccc(CNC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)cn2)c1 40112449 OYXUDIXGOGBYNP-YOFSQIOKSA-N 392.499 4.502 0 40 GJAB COc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 43170533 HVRSLOVMQSWVNY-JTQLQIEISA-N 399.274 4.902 0 40 GJAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(SCc2cccnc2)cc1 47189277 TWHCPDGOMUETSK-UTKZUKDTSA-N 384.545 4.699 0 40 GJAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(Cl)c(F)c3)c12 65489930 SIDPINQQHNEBMZ-UHFFFAOYSA-N 384.798 4.582 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(CC)cc3)[nH]n2)cc1 72331544 ZGLZBCAMCSGNEC-UHFFFAOYSA-N 377.488 4.748 0 40 GJAB CC(C)[S@](=O)c1ccc(C(=O)Nc2ccc(F)cc2OC(C)(C)C)cc1 95451954 PJOYKGIJUOGPJE-AREMUKBSSA-N 377.481 4.771 0 40 GJAB COc1ccc(CN2CCC3(CCN(Cc4ccc(C)cc4)CC3)CC2)cc1 96047262 YAOHEKFLMJPMJH-UHFFFAOYSA-N 378.560 4.882 0 40 GJAB CC(C)Cn1ccc2c(NC(=O)C3(c4ccccc4)CCOCC3)cccc21 96231095 YIYBWBKHLMCZSR-UHFFFAOYSA-N 376.500 4.984 0 40 GJAB CCc1c(-c2ccc(OC)cc2Br)nn(Cc2ccccc2)c1N 199750254 HZIJGCCMGUTPOH-UHFFFAOYSA-N 386.293 4.514 0 40 GJAB O=C(Cc1noc2ccccc12)N1CCS[C@H](c2ccccc2Cl)CC1 206991633 YJCKHYQNOJKXAQ-IBGZPJMESA-N 386.904 4.731 0 40 GJAB Cc1cc(OCC(=O)Nc2cccc(OC(C)C)c2)cc(C)c1Br 218837904 OCFKOMAQKPZNQU-UHFFFAOYSA-N 392.293 4.871 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 223701641 YERDYOFLCJMFEH-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB S=C(NCc1ccccc1Cl)Nc1ncc(Br)cc1Cl 223932003 AGWGIRIOICFEHW-UHFFFAOYSA-N 391.121 4.638 0 40 GJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1 224199597 CFGOGAKVMIRLCA-LEWJYISDSA-N 376.529 4.522 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1CCCNc1ccccc1 225033653 ZKUHGCILYKWMIJ-UXHICEINSA-N 394.569 4.618 0 40 GJAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(Br)cc2F)cc1 225774469 IUNRBBLDPPMZDD-UHFFFAOYSA-N 392.253 4.667 0 40 GJAB CCc1ccccc1NC(=O)c1snnc1-c1ccc(Br)cc1 225783194 COGQUGSHAZXPPB-UHFFFAOYSA-N 388.290 4.782 0 40 GJAB COc1ccc(CCNC(=S)c2ccc(OCc3ccccc3)cc2)cc1 408573844 OTBQWMCAKWMDIA-UHFFFAOYSA-N 377.509 4.782 0 40 GJAB CC(=O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1 683202 HFWXLJDFGXPWAU-UHFFFAOYSA-N 397.066 4.667 0 40 GJAB COc1ccc2nc(C)cc(S[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)c2c1 915679 NDBVTYDSKNGSLX-HNNXBMFYSA-N 394.496 4.874 0 40 GJAB O=C(C[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc2ccccc2c1 1624265 GCHNDAJZGRASHZ-HXUWFJFHSA-N 386.234 4.559 0 40 GJAB CCCCCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 1747134 BWUQXSPQLNBZFB-UHFFFAOYSA-N 393.439 4.782 0 40 GJAB Cc1ccc2[nH]cc(CCNC(=O)COc3ccc(Cl)cc3Cl)c2c1 2326944 ONPVDYKEAOTPAG-UHFFFAOYSA-N 377.271 4.521 0 40 GJAB CCCCCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109808 FGVCJJVSNWGPDL-UHFFFAOYSA-N 387.471 4.699 0 40 GJAB C[C@@H](NC(=O)COc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 4657375 UYOIDFOOMLXIDV-XXWNAHEMSA-N 392.337 4.549 0 40 GJAB CCOc1ccc(Cc2noc3c2C(=O)C[C@H](c2ccccc2)C3)cc1OCC 4686507 WOSVJAOYFNSRTN-SFHVURJKSA-N 391.467 4.976 0 40 GJAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 4910744 LOTLNWBRCGFOJO-INIZCTEOSA-N 381.907 4.852 0 40 GJAB COc1ccccc1NC(=O)Nc1cc(C)cn(Cc2ccccc2Cl)c1=O 5000869 MKUZNMCAVMVUAW-UHFFFAOYSA-N 397.862 4.511 0 40 GJAB CCc1ccc(Cl)c(CC)c1NC(=O)Cc1cc(OC)c(OC)c(OC)c1 5610871 AHROWYWXEUELSQ-UHFFFAOYSA-N 391.895 4.672 0 40 GJAB CCCCc1[nH]c2ccccc2c(=NC(=O)CNC2CCCCC2)c1CCC 5808088 SDGDDPZBDRPWTI-UHFFFAOYSA-N 381.564 4.813 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3nc4ccccc4o3)cc12 5937707 ROLHJKGCSDDLIK-UHFFFAOYSA-N 389.436 4.894 0 40 GJAB Cc1cc(OC(=O)c2ccc(Cn3nnc4ccccc43)cc2)ccc1Cl 6281163 QGJUBJCRHMWECS-UHFFFAOYSA-N 377.831 4.661 0 40 GJAB CCOc1ccccc1OCCCC(=O)Nc1ccccc1Br 6338535 MHYDYUWUACZMQR-UHFFFAOYSA-N 378.266 4.646 0 40 GJAB O=C(CSc1nc2cc(Cl)ccc2s1)NCCc1ccc(F)cc1 6649348 UPHBEJBLNOKCFE-UHFFFAOYSA-N 380.897 4.540 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(C3CC3)n2C)c2ccccc2)c1 7235161 JFHMDQIDAZKAPL-LJQANCHMSA-N 392.528 4.781 0 40 GJAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccccc1OCc1ccccc1 7601466 AKNGHBRHPDAHTI-UHFFFAOYSA-N 388.496 4.930 0 40 GJAB COc1ccc(C)cc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604344 ZDYYNQKBGSNMSC-UHFFFAOYSA-N 384.435 4.745 0 40 GJAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3c[nH]c4ccccc34)o2)cc1 8313702 KCYFGJMUHACYRW-ZDUSSCGKSA-N 393.468 4.980 0 40 GJAB C[C@H](NC(=O)c1ccc(COc2ccccc2)o1)c1ccc(-n2ccnc2)cc1 9338152 MRZJGMMHIQGSET-KRWDZBQOSA-N 387.439 4.535 0 40 GJAB C[C@@H]1C[C@@H](Sc2nc(Nc3ccccc3Cl)c3ccccc3n2)C(=O)O1 9512738 VDSKOKBNHWFWDQ-BDJLRTHQSA-N 385.876 4.823 0 40 GJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(CN2CCCCC2)cc1 9514903 XXHHEMZAYLIIMV-SFHVURJKSA-N 383.511 4.714 0 40 GJAB CCCN1C(SCc2c(F)cccc2Cl)=NS(=O)(=O)c2ccccc21 9530246 FYKUFYLYXQHTQZ-UHFFFAOYSA-N 398.912 4.687 0 40 GJAB COc1ccc2c(c1)CCc1cc(C(=O)Nc3noc4ccccc34)sc1-2 9667594 YAWQJRQJSNJOBU-UHFFFAOYSA-N 376.437 4.916 0 40 GJAB CC[C@H](NC(=O)Cn1c(-c2cccs2)n[nH]c1=S)c1ccc(Cl)cc1 10423528 QCJXFMPDVZJEKO-ZDUSSCGKSA-N 392.937 4.590 0 40 GJAB CCCC(CCC)C(=O)Nc1cccc(-c2csc3nc(C)cc(=O)n23)c1 11768234 OYOGMVMNXCRSPM-UHFFFAOYSA-N 383.517 4.886 0 40 GJAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccccc1Cl 12178542 PNNBJGBOMHEGDP-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB COc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OC(C)C 12345316 BQKKSVWAFAUGSN-SVGJNIJCSA-N 399.506 4.636 0 40 GJAB Cc1c(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)oc2c(Cl)cccc12 12551869 GQFYSNQNIXHDBR-QGZVFWFLSA-N 397.837 4.787 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1 12563971 LFLXUCAIUSZMLB-CYBMUJFWSA-N 379.485 4.760 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)c1nn2c(-c3cccs3)nnc2s1 12650561 VSKZJJQCCGQSQJ-UHFFFAOYSA-N 376.894 4.882 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cccs1 12737466 MQQNPNNXOGHPNJ-INIZCTEOSA-N 378.497 4.752 0 40 GJAB COc1ccc(-c2cc(CC(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1 12866771 CTXCMIVOQZPIQC-UHFFFAOYSA-N 376.334 4.550 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1 12999195 BWCJQSQEVVAHMC-KRWDZBQOSA-N 389.499 4.683 0 40 GJAB CCOc1ccc(OCCSCCC(=O)NCc2ccccc2Cl)cc1 13015584 JCFNYEGHJRKPIW-UHFFFAOYSA-N 393.936 4.557 0 40 GJAB CCOc1cccc(=O)c2c(C)n(-c3ccc(Cl)c(NC(C)=O)c3)c(C)c12 13693065 ZLMYXRBIUHCXFG-UHFFFAOYSA-N 384.863 4.618 0 40 GJAB CCCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 15323817 PPKJLWMXNYITHB-UHFFFAOYSA-N 379.412 4.678 0 40 GJAB Clc1ccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1Cl 19341460 CWPIZQXZRIPNFN-UHFFFAOYSA-N 389.286 4.818 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2c(C)nc3ccc(Cl)cn23)cc1OC 19658716 FFAZXDSQRJJMCJ-QGZVFWFLSA-N 385.895 4.650 0 40 GJAB CC(C)C(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 19694404 XBFCIJZVPUABBZ-SFHVURJKSA-N 386.927 4.573 0 40 GJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC)c4)cc3n2)cc1 20611194 XEQGZFHUNXOVCI-UHFFFAOYSA-N 386.455 4.552 0 40 GJAB COc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 29903670 QQGLQQRJRCVKRP-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1 30859639 KYNBGWDSBLOVCH-HXUWFJFHSA-N 383.532 4.915 0 40 GJAB CCCOc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1 32091408 ISTBHXVYAFYETI-HNNXBMFYSA-N 397.866 4.537 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)cc1 32760110 FYNJPGFFJZAIQP-QFIPXVFZSA-N 378.472 4.943 0 40 GJAB Fc1ccc(-c2noc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)n2)cc1 32836192 NZBGVOCSGHPXIH-UHFFFAOYSA-N 395.434 4.549 0 40 GJAB CCOc1ccc(OCC(=O)OCc2cc3ccc(C)cc3nc2Cl)cc1 32911208 LUATWZOSPVMPOE-UHFFFAOYSA-N 385.847 4.718 0 40 GJAB Cc1nc2cc(NC(=O)c3cc(C)c(OCc4cccnc4)c(C)c3)ccc2o1 32924473 KZUNCILBBZJMPD-UHFFFAOYSA-N 387.439 4.979 0 40 GJAB CC[C@H]1c2ccsc2CCN1C(=O)CCc1nnc(-c2ccc(C)cc2)o1 39996898 QBPOMJDEJHLHOC-KRWDZBQOSA-N 381.501 4.575 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1 40002600 AUGLELXPNMLYIA-KBPBESRZSA-N 391.309 4.526 0 40 GJAB COc1ccc([C@@H]2C[C@@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1OC 44859709 NILVFPRZURDMRP-OALUTQOASA-N 378.476 4.565 0 40 GJAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCc4ccccc4)ccc32)c1 46078650 OQOJVVFBWQFTAS-UHFFFAOYSA-N 384.479 4.518 0 40 GJAB c1ccc(Nc2nc(CSc3nnc(N4CCCC4)s3)cs2)cc1 52912058 FCOMIPWQLDMFJN-UHFFFAOYSA-N 375.548 4.631 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3OC)ccc21 58123260 RPUHZNJOQOYYOR-UHFFFAOYSA-N 387.483 4.551 0 40 GJAB COc1cc(CCC(=O)N(C)c2ccc(C)cc2)ccc1OCC(F)(F)F 60352056 CAZMNVLEVZUGDX-UHFFFAOYSA-N 381.394 4.540 0 40 GJAB O=C(Nc1ccnn1C[C@H]1CCOC1)c1sc2cc(Cl)ccc2c1Cl 69922202 WXPKVQKQDBPEPN-SNVBAGLBSA-N 396.299 4.693 0 40 GJAB CCn1c(Cl)nc2cc(C(=O)N(Cc3nc4ccccc4[nH]3)C(C)C)ccc21 222554604 WVCGVPGJHZCXRQ-UHFFFAOYSA-N 395.894 4.637 0 40 GJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1 222627657 YYQDQAMKDKSVNO-OAHLLOKOSA-N 399.541 4.853 0 40 GJAB CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1C 223664936 QQGQZYMTBRTOCB-UHFFFAOYSA-N 385.514 4.790 0 40 GJAB Cc1cc(C)c(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)c(C)c1 223719828 PUAWQSUSHANKAV-UHFFFAOYSA-N 381.497 4.883 0 40 GJAB CC1(C)CCc2cc(S(=O)(=O)NCc3ccc(C(C)(C)C)cc3)ccc2O1 223744777 DXCWJCPJNWDVEZ-UHFFFAOYSA-N 387.545 4.566 0 40 GJAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1Cl 224221073 MLWPLZQVIRWITB-KRWDZBQOSA-N 389.879 4.780 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1 225124328 IYWKMXQJRLPRRE-QGZVFWFLSA-N 382.504 4.663 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](CC)c1ccc(OC)cc1 225258972 FYHDTQQEGHXYCK-GOTSBHOMSA-N 381.516 4.999 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1 225496037 QVJZQWFUKNBTTL-NFBKMPQASA-N 394.559 4.650 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 225829512 RXDVYOOOFHPEOA-OAQYLSRUSA-N 381.472 4.538 0 40 GJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225846062 ZILFRJYCPQQHNB-QFIPXVFZSA-N 393.524 4.965 0 40 GJAB Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2Cc2ccncc2)n1 257199794 AAVJIWKNYABDCX-LJQANCHMSA-N 379.895 4.501 0 40 GJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)c(C)c3)ccc21 408593620 MSCPJTNJBRADFH-UHFFFAOYSA-N 394.496 4.932 0 40 GJAB CCOc1ccccc1N(Cc1cccc(C)c1)S(=O)(=O)c1ccccc1 408628127 UPRPZLZBAPKSSC-UHFFFAOYSA-N 381.497 4.789 0 40 GJAB COc1cc(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 409192499 DJLBXYQKELTPCN-VGOFMYFVSA-N 396.251 4.949 0 40 GJAB O=C1C[C@H](c2ccsc2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1 524730418 IPEFTJPAJTWTPK-CQSZACIVSA-N 390.416 4.668 0 40 GJAB biogenic Cc1ccnc([C@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 1142562808 NDRITEKINOBFGV-AWEZNQCLSA-N 385.389 4.962 0 40 GJAB c1cc(C2=N[C@@H](C3CCCCC3)CO2)nc(C2=N[C@@H](C3CCCCC3)CO2)c1 1987972961 JSHMEAUZFKZRAH-NHCUHLMSSA-N 381.520 4.533 0 40 GJAB Cc1cc(OCC(=O)c2ccc(Cl)cc2)c2c3c(c(=O)oc2c1)CCCC3 944804 SXETWEJBEZGUNZ-UHFFFAOYSA-N 382.843 4.895 0 40 GJAB biogenic Cc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1359889 WTJPCLNKMOKSFB-INIZCTEOSA-N 380.423 4.596 0 40 GJAB CCC(Br)(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl 1686045 SDUPLYVEBCAACL-UHFFFAOYSA-N 398.080 4.593 0 40 GJAB CCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@H](C(C)C)C4 1836768 KVDAYHCNSWYDAG-NSHDSACASA-N 394.591 4.660 0 40 GJAB COc1ccc(-c2c(NC(=O)c3cccs3)n(C)c3ccccc3c2=O)cc1 2364979 KQYFSGCEJUITJO-UHFFFAOYSA-N 390.464 4.528 0 40 GJAB CC(C)Oc1cccc(-c2nnc(SCc3cccc4ccccc34)n2N)c1 2371034 LDXCNYDCJJGYJR-UHFFFAOYSA-N 390.512 4.892 0 40 GJAB COc1ccccc1OCC(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 3422624 VTCLWGAOIXDAOE-UHFFFAOYSA-N 388.876 4.798 0 40 GJAB Cc1c(CCC(=O)NC(C)C)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 4090092 BIQLMTWFGDMRBO-UHFFFAOYSA-N 389.451 4.972 0 40 GJAB biogenic Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)CSC3)c1 4274438 ZWOIAHVLVABCOI-UHFFFAOYSA-N 385.439 4.766 0 40 GJAB COc1ccc2nc(SCC(=O)Nc3c(Cl)ccc(C)c3Cl)[nH]c2c1 4274494 CYPJKPLHTRETSV-UHFFFAOYSA-N 396.299 4.918 0 40 GJAB CCCn1c(C)cc(C(=O)COC(=O)c2oc3ccc(OC)cc3c2C)c1C 4319175 JJJUZZBLCCPRFS-UHFFFAOYSA-N 383.444 4.618 0 40 GJAB Cc1cc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)oc2cc1C 4548645 VZBUVCDFJYHBBU-UHFFFAOYSA-N 378.453 4.912 0 40 GJAB CC(C)N1C(=O)[C@@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 4554687 WJBHVZAQEQZEOM-RUZDIDTESA-N 385.463 4.569 0 40 GJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@H]1c1ccc(C)cc1 4816588 IAXGXIUYDAXKDR-VQTJNVASSA-N 378.451 4.593 0 40 GJAB CCOc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(F)cc1 5019694 UNCLKENQEDVJAW-SFHVURJKSA-N 393.886 4.725 0 40 GJAB Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccccc2)c(C)c1 5483302 DLIBROOYDRRHPI-HSZRJFAPSA-N 388.442 4.564 0 40 GJAB Cc1ccc(OCc2n[nH]c(SCC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 5981374 IRLWORGPKYXANN-UHFFFAOYSA-N 397.544 4.570 0 40 GJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)c1C 6479075 NCHHUNSCDVFHIE-MMWWNLEXSA-N 392.480 4.535 0 40 GJAB CCc1cc2oc(=O)cc(COC(=O)CCC(=O)c3ccccc3)c2cc1Cl 6602930 XIVCCCBQSKUVMO-UHFFFAOYSA-N 398.842 4.715 0 40 GJAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccncc1 7184846 KFLUYDVIEKLZJX-INIZCTEOSA-N 388.496 4.546 0 40 GJAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 7214277 AZJYEIZEQMXZSM-NRFANRHFSA-N 390.508 4.587 0 40 GJAB Cc1ccc2c(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cccc2n1 7388532 KXXZPCCRIIDWHW-UHFFFAOYSA-N 390.295 4.977 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2[C@@H](C)c2nnc(-c3cccs3)o2)c1 7718753 JTPRPTRNEKVBLP-XJKSGUPXSA-N 385.489 4.713 0 40 GJAB Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)oc2c(Cl)cccc12 7986146 XVYSAWPWCLEIGG-UHFFFAOYSA-N 388.876 4.686 0 40 GJAB COC(=O)c1cc(NC(=O)CSCc2cc(C)cc(C)c2)ccc1Cl 8335582 HMJPTKBZYBHNEU-UHFFFAOYSA-N 377.893 4.615 0 40 GJAB O=C(Nc1cccc2cccnc12)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 8342765 KNJKISMXTCGMNU-QFIPXVFZSA-N 394.430 4.941 0 40 GJAB COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccncc4)cc3c2C)c1 8769073 DFMDEFMSOWWSFK-UHFFFAOYSA-N 386.407 4.628 0 40 GJAB biogenic O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@H](c1ccccc1)c1cccs1 10490594 CHLAUTJMAWCLDG-HXUWFJFHSA-N 399.899 4.621 0 40 GJAB CC(C)c1ccccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12790959 CIBSLHBZLZGWII-QNGOZBTKSA-N 399.454 4.693 0 40 GJAB CC[C@H](C(=O)NCc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 12854120 YIZQYXGEGUUISS-HXUWFJFHSA-N 393.556 4.571 0 40 GJAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1Br 12861362 SGZXUSFTKDJVAU-LBPRGKRZSA-N 394.290 4.577 0 40 GJAB Cc1cc(=O)oc2c(C)c(OCc3nc(-c4cccc(Cl)c4)no3)ccc12 12931292 NMDBDVSBWCWURQ-UHFFFAOYSA-N 382.803 4.692 0 40 GJAB O=C(c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)cc1)N1CCCC1 12932612 KIAWEZSHJRJSAN-UHFFFAOYSA-N 382.891 4.636 0 40 GJAB Cc1ccc(-c2nc(Cn3cnc4sc5c(c4c3=O)CCCC5)co2)c(C)c1 12977507 MPHCYGAYLVEXIX-UHFFFAOYSA-N 391.496 4.657 0 40 GJAB O=c1[nH]c2cc3c(cc2cc1CNc1ccc(Oc2ccccc2)cc1)OCO3 13561332 KJJXZROJUMIQGI-UHFFFAOYSA-N 386.407 4.661 0 40 GJAB COC(=O)c1ccc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)cc1 13693139 ORTZTLNBVSRDFX-UHFFFAOYSA-N 386.860 4.811 0 40 GJAB O=c1oc2c3c(ccc2cc1-c1ccc(F)cc1)OCN(Cc1ccco1)C3 13729374 SOFFSTGKQGTMOO-UHFFFAOYSA-N 377.371 4.544 0 40 GJAB COc1ccc(OCCCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 14401715 MMLBUYUVVIHRRH-UHFFFAOYSA-N 398.684 4.909 0 40 GJAB CC(=O)c1ccc(N/C=C2/C(=O)N(Cc3ccccc3)C(=O)c3ccccc32)cc1 17748623 NKZDARRCHCAJBK-HZHRSRAPSA-N 396.446 4.525 0 40 GJAB CCCc1cc(C(=O)N2Cc3ccccc3OC3(CCC(NC)CC3)C2)cs1 19525260 QPUYNSJJWWKSQC-UHFFFAOYSA-N 398.572 4.636 0 40 GJAB C[C@@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)NCc1ccco1 20882552 RLAFIDPNKQYXJJ-CYBMUJFWSA-N 395.509 4.748 0 40 GJAB COc1cc(-c2nc3c(c(=S)[nH]2)Cc2cc(C)ccc2O3)cc(OC)c1O 21158383 CVUZVKUPFTVQID-UHFFFAOYSA-N 382.441 4.534 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 22245935 OIDWJHCDYKAOPH-UHFFFAOYSA-N 384.436 4.545 0 40 GJAB Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c1 22907858 ROBCZIQVAFFIBT-OAQYLSRUSA-N 376.525 4.586 0 40 GJAB C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1-c1ccccc1 24760727 RWUCGFQLHFVBFI-SFHVURJKSA-N 399.494 4.920 0 40 GJAB Cc1ccc(-c2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 24961897 FSSJNYXEBFJICT-FQEVSTJZSA-N 376.456 4.758 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)c1C 27992543 UOOXBGIBNZYCOE-KRWDZBQOSA-N 380.513 4.553 0 40 GJAB CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C 28289299 XBZBEDNUHKAGAN-OAQYLSRUSA-N 382.548 4.806 0 40 GJAB CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2OCC)nc(C)c1C 29627539 SIZYTTOFAXPTCJ-MRXNPFEDSA-N 375.538 4.818 0 40 GJAB C=Cc1ccc(CSc2nnc3n(CCCC)c(=O)c4sccc4n23)cc1 35529104 SCSPWUBVANYAOM-UHFFFAOYSA-N 396.541 4.841 0 40 GJAB CC1(C)OC[C@@H](COP(=O)(OCc2ccccc2)OCc2ccccc2)O1 39061705 DYWQMEVAWGQPMX-IBGZPJMESA-N 392.388 4.696 0 40 GJAB in-vitro Cc1nn(-c2ccccc2)c(C)c1CNCc1ccccc1OCc1cccnc1 40091385 ADJYIFJKYJUGMI-UHFFFAOYSA-N 398.510 4.753 0 40 GJAB CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 40144326 DTHGEGJVHJIWSU-UHFFFAOYSA-N 382.463 4.883 0 40 GJAB O=C(c1cccc(OCc2cccnc2)c1)N1CCCc2cc(F)c(F)cc21 44490156 SMVLJXWRLDELOA-UHFFFAOYSA-N 380.394 4.532 0 40 GJAB CC(C)C[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 44936903 VVRGCOJKJQKNOE-HSZRJFAPSA-N 382.523 4.941 0 40 GJAB CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)c1 47551569 NOZVWDXFJACEOU-LBPRGKRZSA-N 385.851 4.637 0 40 GJAB O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCC(Cc2ccccc2)CC1 57413317 KQIPBQMDRNISKQ-UHFFFAOYSA-N 379.891 4.825 0 40 GJAB CCSc1ccccc1C(=O)NCC1CCN(c2nc3ccccc3o2)CC1 70932208 ATOOFMBLLSSODG-UHFFFAOYSA-N 395.528 4.586 0 40 GJAB FC(F)(F)c1cccc(CNc2ncc(-c3cnccn3)c(-c3ccco3)n2)c1 72338681 MWOCIDBLUTVGRM-UHFFFAOYSA-N 397.360 4.825 0 40 GJAB CC[C@@H](C(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 77200320 RYEIPTWOUQBGAZ-QHAWAJNXSA-N 398.478 4.995 0 40 GJAB Cc1nc2sccn2c1CN(C)C(=O)c1ccccc1Nc1ccccc1 78752351 FTVVRHHTCWRAAN-UHFFFAOYSA-N 376.485 4.720 0 40 GJAB COc1cc2c(cc1NC(=O)N1CCOC[C@H]1CC(C)C)oc1ccccc12 79305970 XYZBHGGPHDFYHH-OAHLLOKOSA-N 382.460 4.873 0 40 GJAB CC(C)n1ncc2c1N=C(O)CS[C@@H]2c1c[nH]nc1-c1ccc(Cl)cc1 79490078 HVZFYNQRNBLWKF-QGZVFWFLSA-N 387.896 4.932 0 40 GJAB CCSCc1ccnc(NC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)c1 95976917 YQWHUBTZLGHHHW-UHFFFAOYSA-N 397.422 4.564 0 40 GJAB COc1ccc(Br)cc1CN[C@H](c1nc2ccccc2[nH]1)C(C)C 98081541 WCTCPXLQBHKBSC-SFHVURJKSA-N 388.309 4.821 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(c2cc(C3CC3)ncn2)C1 206656585 OWMJQFWLGLHMIW-ZDUSSCGKSA-N 391.302 4.516 0 40 GJAB O=C(Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1)[C@@H]1CCOC1 206892492 FBYIIQUIFOJEJK-CQSZACIVSA-N 383.448 4.668 0 40 GJAB O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 214394419 XRZBMLFBUDIUOX-VIZOYTHASA-N 380.252 4.936 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 219026463 QRPVUWSRAWAOTK-MRXNPFEDSA-N 377.440 4.731 0 40 GJAB Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 222696617 OZBIDEUVPAFMEE-HXUWFJFHSA-N 394.559 4.568 0 40 GJAB C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 223010616 IQAVAQFBRXCGMS-AWEZNQCLSA-N 377.406 4.840 0 40 GJAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)s2)cc1 224606311 PUDMRTPPUWRHNC-HNNXBMFYSA-N 397.500 4.545 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 225555888 GUKVMOLDJCRWQT-NFBKMPQASA-N 394.559 4.568 0 40 GJAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225607509 BZNMRHAHOPRWJI-XXBNENTESA-N 390.568 4.577 0 40 GJAB CCCCc1ccc(NC(=O)CCc2nc(-c3cccc(OC)c3)no2)cc1 225824949 PPKDBHYARDOKPQ-UHFFFAOYSA-N 379.460 4.659 0 40 GJAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225935589 BDMMWLPRCOBWDC-UHFFFAOYSA-N 384.892 4.717 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(Cl)cc1 408678990 HFUYFPYROAUSIJ-IBGZPJMESA-N 377.937 4.855 0 40 GJAB c1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@@H](c2ccccc2)S3)cc1 409200562 MQMIMXREYJHSRU-JOCHJYFZSA-N 398.491 4.957 0 40 GJAB Cc1ccc([C@@H](N[C@@H](C)C2CC(F)(F)C2)c2cccc(S(C)(=O)=O)c2)cc1 529543326 UEEYYNVNSGMIQA-MGPUTAFESA-N 393.499 4.511 0 40 GJAB CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C)c(NC(=O)c3ccco3)c2)c1C 892063 OJOLOQXMEZJHRZ-UHFFFAOYSA-N 378.428 4.653 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 901882 WDUGIOHUIFLAIC-LBPRGKRZSA-N 399.438 4.639 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccccc4Cl)n3c2c1 903040 QKKKQTYWUSYJAP-UHFFFAOYSA-N 396.903 4.884 0 40 GJAB Cn1c(S)nnc1-c1cc(C(C)(C)C)nn1Cc1ccc(Cl)cc1Cl 1035930 JNKOCLTVNMSVPS-UHFFFAOYSA-N 396.347 4.620 0 40 GJAB CCCCOc1ccccc1/C=C1\N=C(c2cc(Cl)ccc2OC)OC1=O 2173386 HXWMEAGBLDHVKC-ATVHPVEESA-N 385.847 4.872 0 40 GJAB Cc1nc2sc3c(c2c2nc(-c4ccc(N(C)C)cc4)nn12)CC[C@@H](C)C3 2217655 GEORFYMMSCVEMA-GFCCVEGCSA-N 377.517 4.505 0 40 GJAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1 2271519 WVZJQYXTNVWQNM-CXUHLZMHSA-N 392.263 4.913 0 40 GJAB Cc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)[C@@H]2CCOC(C)(C)C2)cc1 2299071 BDSWUGIHYGTWRP-UXHICEINSA-N 391.511 4.970 0 40 GJAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3ccc(Br)cc3)c2C1 2465883 DINORXADHVLCIJ-LLVKDONJSA-N 377.282 4.840 0 40 GJAB CCOc1ccc2nc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)sc2c1 2651579 XOPLBWXYSGBGFR-QGZVFWFLSA-N 398.484 4.505 0 40 GJAB CCOc1ccc(-c2csc(NC(=O)c3ccccc3)c2C(=O)OC)cc1 2889653 JNENQVYIVXWFLD-UHFFFAOYSA-N 381.453 4.853 0 40 GJAB COc1ccc(-c2csc3nc(C)nc(N4CCC(C)CC4)c23)cc1OC 3344466 QAXNAVOAQMKWLX-UHFFFAOYSA-N 383.517 4.920 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 3423675 HYODNRFZANUKQN-HNNXBMFYSA-N 391.298 4.793 0 40 GJAB COc1cc(CCC(=O)Oc2cccc(Cl)c2Cl)cc(OC)c1OC 3603273 PXCKAIJAILZJOP-UHFFFAOYSA-N 385.243 4.557 0 40 GJAB O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1F 4466219 FRRXCUUSZLJLAA-WOJGMQOQSA-N 396.805 4.832 0 40 GJAB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1C[C@H]1CCCO1 5129758 RVAKIDKIZFHGDA-MRXNPFEDSA-N 386.904 4.521 0 40 GJAB COc1cccc(-c2c(NC(=O)c3ccccc3C)n(C)c3ccccc3c2=O)c1 5244084 YSMIFUZJYLJBIE-UHFFFAOYSA-N 398.462 4.775 0 40 GJAB O=C(Nc1nc2ccccc2s1)[C@H]1C[C@H]2C[C@@H]1[C@](F)(C(F)(F)F)C2(F)F 5669786 DFAPUXWLYQUGGJ-OSGJSWLFSA-N 394.340 4.797 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)CCSc2ccc(Cl)cc2)c1 6440988 RPYIIBBMPLKCDD-UHFFFAOYSA-N 384.284 4.901 0 40 GJAB COc1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc(OC)c1OC 6540554 GHSJTEXJKSCMKJ-GOSISDBHSA-N 377.868 4.744 0 40 GJAB Cc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1C 6865858 FMEQGEJMHJDIIG-UHFFFAOYSA-N 379.525 4.804 0 40 GJAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 7072435 PFCTZARBSYPJHL-MJGOQNOKSA-N 394.515 4.979 0 40 GJAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccccc3Cc3ccccc3)ccc21 7278416 CRRNQZFJCHQHOI-UHFFFAOYSA-N 397.478 4.568 0 40 GJAB Cc1n[nH]c(=S)n1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 7602710 FUUWWNBFCIYDQX-UHFFFAOYSA-N 395.315 4.879 0 40 GJAB COc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCCCCC1 8131998 RGRNMCKXSMUCKR-UHFFFAOYSA-N 388.895 4.747 0 40 GJAB O=C(Nc1ccccc1SCc1ccsc1)[C@@H]1COc2ccccc2O1 8187877 XYVOSPIWYNRBBO-SFHVURJKSA-N 383.494 4.819 0 40 GJAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1Cl 8314180 OYNFFYLQZYANPB-UHFFFAOYSA-N 378.811 4.611 0 40 GJAB O=C(CCSc1ccccc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 8340752 XBMWWODSFHFBLW-UHFFFAOYSA-N 392.528 4.792 0 40 GJAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1OC 8434709 YPCCPMSMKURPSV-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB COc1ccc(-c2cc(C(=O)N3CCC3)c3cc(Br)ccc3n2)cc1 9909209 FPJQWNHDDNVDIC-UHFFFAOYSA-N 397.272 4.519 0 40 GJAB CC(C)COc1ccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 12111474 SMPZSTNEBYWVCI-UHFFFAOYSA-N 395.459 4.811 0 40 GJAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)CC2CCCCC2)C1 12221088 FRKROTUHXBFMOL-IBGZPJMESA-N 378.520 4.639 0 40 GJAB CCOc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 12274589 FTDILTALBIMNLI-UHFFFAOYSA-N 386.245 4.776 0 40 GJAB CN(C(=O)Nc1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)c1nccn1C 12507358 GXVXIQPGZQVUML-QGZVFWFLSA-N 389.286 4.980 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ncc(-c3ccc(F)cc3)[nH]2)c1C 12538431 MOLRTAWSMPHSMI-ZDUSSCGKSA-N 385.464 4.727 0 40 GJAB C[C@H](SCc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc2c(c1)CCC2 12791680 HVPIGJYONFAVGZ-INIZCTEOSA-N 377.513 4.621 0 40 GJAB CC[C@@H](CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccccc1 12914758 JUJKBTNGKRKYPU-KRWDZBQOSA-N 376.456 4.764 0 40 GJAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1cc(-c2ccco2)on1 12975847 MVVFAVRJJYIZRL-UHFFFAOYSA-N 399.468 4.999 0 40 GJAB Cc1cccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C)c1 13635606 LVWBLJKCBAEYNC-UHFFFAOYSA-N 391.862 4.622 0 40 GJAB CC(C)[C@H](NC(=O)c1ccc(Br)cc1F)c1nc2ccccc2[nH]1 15610946 QQMBDTQSRCRIRS-INIZCTEOSA-N 390.256 4.592 0 40 GJAB Clc1ccccc1CSc1nnc(-c2ccncc2)n1Cc1ccco1 16756270 PWJGQTNGKOSHED-UHFFFAOYSA-N 382.876 4.927 0 40 GJAB Cc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1C 17209606 MPAUTQHVJJGEAY-UHFFFAOYSA-N 386.521 4.560 0 40 GJAB CCCCNc1nc(Nc2ccc(OC)cc2)c2cnn(-c3ccccc3)c2n1 17270475 PFUWEFPSAWDDKP-UHFFFAOYSA-N 388.475 4.780 0 40 GJAB CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H](c1ccccc1)c1cccs1 18466013 DNPOFTXRAKYPSB-NRFANRHFSA-N 399.899 4.889 0 40 GJAB Cc1noc2nc(C3CCN(C(=O)CCc4ccccc4)CC3)cc(C(F)F)c12 19564696 VSMSQAQAKFJZAS-UHFFFAOYSA-N 399.441 4.808 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccccc2Cl)no1 21122818 QCZLGNNGSWKPJJ-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1SCc1cccs1 21873056 ISEQKPGLUOVKHS-OAHLLOKOSA-N 397.521 4.610 0 40 GJAB COc1ccc2nc(NC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)sc2c1 22024725 DNCLOJQFYPDXOC-UHFFFAOYSA-N 399.472 4.904 0 40 GJAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3c(C)cccc3C(C)C)c2C)n1 24550214 HGZSVRLMCYKQGW-UHFFFAOYSA-N 391.519 4.509 0 40 GJAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)C1CCCCC1 28228744 MQPYJLIDQGMNPY-UHFFFAOYSA-N 390.325 4.830 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cccc(C(F)(F)F)c1 28576994 ZZYVZLJAKJYSLV-IBGZPJMESA-N 377.406 4.668 0 40 GJAB O=C(c1nc(Cl)c(Cl)c(Cl)c1Cl)N1CCOc2ccccc21 30578086 WVTBXKUIQBYWAE-UHFFFAOYSA-N 378.042 4.734 0 40 GJAB C[C@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 32731799 MJQPCJHHQJVNNH-ZDUSSCGKSA-N 396.384 4.760 0 40 GJAB CCOc1ccc(/C=C2\SC(=O)N(CNc3cccc(Cl)c3)C2=O)cc1 33437408 IWEJNPFDQVLAAY-YVLHZVERSA-N 388.876 4.845 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCCCCCC1 33659394 BRJIQRNCDBWHBD-JOCHJYFZSA-N 378.516 4.777 0 40 GJAB CC(C)c1noc([C@@H](C)N2CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)n1 40152869 MUTVRXGSUWLRKX-SJORKVTESA-N 394.560 4.612 0 40 GJAB Cc1ccc(CNC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 41155486 KYZTUSQMQRRIPS-UHFFFAOYSA-N 387.414 4.781 0 40 GJAB CC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 43653026 IOSVVQCZQQOFGH-QHCPKHFHSA-N 385.467 4.825 0 40 GJAB CC(C)C[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 44936900 VVRGCOJKJQKNOE-QHCPKHFHSA-N 382.523 4.941 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc(-c4cnco4)cc3)n2)cc1 47411119 HUCPHRPUNUNYHP-UHFFFAOYSA-N 377.425 4.726 0 40 GJAB O=C(NCC(F)(F)F)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 57675893 BNPCIOJWVIRGPQ-UHFFFAOYSA-N 393.796 4.544 0 40 GJAB Cc1nc(C)c(-c2nnc(SCc3nc4ccccc4n3C(F)F)o2)s1 58155296 SPBVYEXEIGBYDX-UHFFFAOYSA-N 393.444 4.847 0 40 GJAB O=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)cn1-c1cccc(F)c1 67245419 ZQUYOEATLPKELO-UHFFFAOYSA-N 383.382 4.847 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccccc2C)nc1 67294214 ZYIVBLJXNLLWOA-BZZOAKBMSA-N 385.423 4.635 0 40 GJAB CNc1ncccc1CN1CCC[C@H](c2cccc(-c3ccccc3OC)n2)C1 72350254 FQUWKQQLXLNRKJ-SFHVURJKSA-N 388.515 4.574 0 40 GJAB Cc1csc(-c2cccc(NC(=O)c3ccc4c(c3)CCCC(=O)N4)c2)n1 84271415 DNRGPFZLMKUYPX-UHFFFAOYSA-N 377.469 4.646 0 40 GJAB CCn1c([C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n[nH]c1=S 85400144 OYSGIXCHTBHJMR-CYBMUJFWSA-N 387.336 4.785 0 40 GJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccc(F)c(F)c2F)SC1 95478151 LBKIFCCZQPFTHG-SFHVURJKSA-N 389.402 4.773 0 40 GJAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nnc(-c2ccccc2)s1 95949113 RIFULKDHBWEMAO-UHFFFAOYSA-N 392.509 4.813 0 40 GJAB O=C(/C=C/c1ccco1)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119722 PIJJMFXQJRVQQQ-MDZDMXLPSA-N 377.425 4.634 0 40 GJAB Fc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc(C(F)(F)F)nn32)cc1F 101915746 ZSCKRHBAOJTRKI-HNNXBMFYSA-N 378.304 4.631 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 219302962 NHVCQAXAXXDXCI-XLIONFOSSA-N 397.515 4.806 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccco1 222599074 AEKLGYZTCBXENB-RVHYNSKXSA-N 392.528 4.731 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 222949338 RHONZNLJNCFYLU-LSDHHAIUSA-N 396.379 4.678 0 40 GJAB Cc1cccc([C@@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc2)c1 223482377 YRKCXBDCOBATIJ-DEOSSOPVSA-N 385.507 4.949 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)ccc21 225152905 LXISJDMHLBMDCW-LBPRGKRZSA-N 390.892 4.703 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225623184 ZJAWQTMLVYMDRT-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C(F)(F)F 225773080 NWMHMJJSWCZBGO-UHFFFAOYSA-N 393.405 4.709 0 40 GJAB Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CN(C(=O)C3CCCC3)CCO2)n1 257279886 OINWWZNAGJVOHH-QFIPXVFZSA-N 398.934 4.724 0 40 GJAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccccc1Cl 408614386 BQSBOZXYBPFCBO-UHFFFAOYSA-N 394.858 4.531 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@H]23)cc1 409002254 ZLZNNUBMNYOMPE-BDTNDASRSA-N 399.446 4.642 0 40 GJAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 409384861 FXSGIVHZGSADBH-UHFFFAOYSA-N 393.512 4.808 0 40 GJAB CCC(CC)c1noc(-c2ccccc2OCC(=O)Nc2ccccc2F)n1 561889267 QGPAQBQQYVRXKR-UHFFFAOYSA-N 383.423 4.797 0 40 GJAB O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)N2CCCC3(CC2)CC3)c1 626374992 WNHKRIXOUSNITG-UHFFFAOYSA-N 398.894 4.785 0 40 GJAB Cc1cccc(-c2cncc(C(=O)Nc3cc(-c4cc(F)cc(F)c4)[nH]n3)c2)c1 1631138919 BXQXXBFICWVZCI-UHFFFAOYSA-N 390.393 4.978 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)C2(C(F)(F)F)CC2)CN1c1cccc(F)c1 2037988457 KRQWVIZCGMEFBP-SFHVURJKSA-N 384.417 4.518 0 40 GJAB Clc1cnc2nc(C3CCN(C[C@H]4OCCc5ccccc54)CC3)ccc2c1 2086896541 LHSQIGOBYAJLFX-JOCHJYFZSA-N 393.918 4.777 0 40 GJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2OC)sc2c1CC[C@H](C)C2 941469 UBSHVWWNNDEXPQ-WONIAPNHSA-N 399.512 4.710 0 40 GJAB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cc(C(=O)O)ccc2C)C3=O)cc1 992750 URBNKNOWRSXBJM-UHFFFAOYSA-N 387.391 4.595 0 40 GJAB O=C(O[C@@H](C(=O)NC1CCCCC1)c1cccc2cccnc12)c1cccs1 1345185 JELVFUZJFHUJJE-HXUWFJFHSA-N 394.496 4.643 0 40 GJAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NC(C)(C)C)c23)C1 1377326 JPWYOTLIDKHBPZ-NSHDSACASA-N 389.590 4.700 0 40 GJAB Brc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@@H](c1ccncc1)O2 1424257 OECXDQQNWHIUCS-QFBILLFUSA-N 396.244 4.679 0 40 GJAB CCOC(=O)C(C)(C)Oc1ccc2c(=O)cc(-c3ccc(Cl)cc3)oc2c1 1631597 MKTKOOLJSCRZGC-UHFFFAOYSA-N 386.831 4.834 0 40 GJAB CCC[C@@H]1Cc2c(sc3nc(SCc4cccc(F)c4)nc(N)c23)CO1 2229357 LAZZLQIYKQIALU-CYBMUJFWSA-N 389.521 4.946 0 40 GJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)c(OC)c1 2271265 DFIKORFSKDUDBB-OAQYLSRUSA-N 378.403 4.614 0 40 GJAB CCCc1nc2sc3c(NCc4ccccn4)ncnc3c2c2c1CCC2 2333899 VTMBMNUJWBLVSN-UHFFFAOYSA-N 375.501 4.688 0 40 GJAB CSc1cnc(Nc2nc(-c3ccc(Br)cc3)cs2)nc1 3315136 KMLVOAPLOKTEGH-UHFFFAOYSA-N 379.308 4.828 0 40 GJAB Cc1nc(N2CCN(c3ccccc3F)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 3344248 LUYZSVCFJJHELK-AWEZNQCLSA-N 396.535 4.590 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc4ccccc4n3)n2)cc1OC 3369729 BJBFJAHVOUAFCF-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB COc1ccc(Cl)cc1-c1nnc(S)n1-c1cccc(C(F)(F)F)c1 3620401 KPWOGMDFXLJTAH-UHFFFAOYSA-N 385.798 4.904 0 40 GJAB Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1cccs1 4036416 YHMDBDGRGQVBPA-UHFFFAOYSA-N 387.511 4.529 0 40 GJAB COc1ccc(-c2nc(C)c(CCNC(=O)c3ccc(Cl)cc3)s2)cc1 4392461 XZQFJSBGIKJQEJ-UHFFFAOYSA-N 386.904 4.753 0 40 GJAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(Nc3ccccc3S2)S1 4499220 QQMRFAGNUMWLKF-QGZVFWFLSA-N 391.905 4.599 0 40 GJAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1nc(C)c(C)s1 4849397 DKCNBVLXFQFQCR-UHFFFAOYSA-N 387.530 4.610 0 40 GJAB O=C(CCCc1c[nH]c2ccccc12)OCC(=O)C12CC3CC(CC(C3)C1)C2 5381713 HTKNTMUQENHSNW-UHFFFAOYSA-N 379.500 4.819 0 40 GJAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(C(C)(C)C)cc3)cc12 5583347 PKQWBFQNFHDNAY-UHFFFAOYSA-N 386.499 4.932 0 40 GJAB Cc1ccc(C)c(C(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)c1 6063261 WRQYCLXQZWMYSV-UHFFFAOYSA-N 387.892 4.629 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)cc1Cl 6554488 RYYRWRMINBOWJC-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB Cc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2ccccc2F)cc1 6583367 ZOMAHAXRTWUUEC-UHFFFAOYSA-N 392.459 4.685 0 40 GJAB O=c1cc(CSCc2ccccc2F)nc2scc(-c3ccccc3)n12 6654372 HCKDTIXRAIEHFU-UHFFFAOYSA-N 382.485 4.996 0 40 GJAB Cc1ccc2c(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cccc2n1 7388523 AXLZUTPPBDVCHH-UHFFFAOYSA-N 390.295 4.977 0 40 GJAB C[C@H]1CCCC[C@@H]1NC(=S)Nc1cccc(-c2nnc3n2CCCCC3)c1 7582556 PATFLAHMOJVBAF-YJBOKZPZSA-N 383.565 4.537 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2c(-c3ccccc3)noc2C)cc1OCC 7777283 DCPDXKYDUNJJFP-OAHLLOKOSA-N 394.471 4.938 0 40 GJAB O=C(c1ccc(Br)cc1)N(Cc1ccco1)Cc1cccs1 7968022 MNPQMXDNIUIKAF-UHFFFAOYSA-N 376.275 4.946 0 40 GJAB Cc1csc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)n1 7968919 NXIZLOZTSYYOGJ-UHFFFAOYSA-N 386.477 4.611 0 40 GJAB C[C@@H](NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C(=O)N1CCCC1 8278686 GGUQUFMJOJZONL-APWZRJJASA-N 395.934 4.554 0 40 GJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCC1 9377731 NDOSJELAVCRVEX-MRXNPFEDSA-N 388.964 4.733 0 40 GJAB CCCN1C(SCc2ccc(F)cc2Cl)=NS(=O)(=O)c2ccccc21 9530257 UKCYMFKKXCXRFH-UHFFFAOYSA-N 398.912 4.687 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)cc1 9625227 NBRIVCWAONGVBW-HNNXBMFYSA-N 394.500 4.515 0 40 GJAB C[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(C(C)(C)C)cc1 10111937 URRPAMYLNOVMDB-INIZCTEOSA-N 386.495 4.975 0 40 GJAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(CN2CCCC2)cc1 10328790 ISDNUIVXYWQYJX-UHFFFAOYSA-N 388.964 4.599 0 40 GJAB COc1ccccc1-c1nnc2ccc(Oc3c(Cl)cccc3Cl)nn12 12392002 OXGFLDJCVYGUOI-UHFFFAOYSA-N 387.226 4.899 0 40 GJAB CCOc1ccc(-c2nc(CSc3nc4nc(C)cc(C)n4n3)cs2)cc1 12553094 AUWFYIVHZDDNKE-UHFFFAOYSA-N 397.529 4.556 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3Br)s2)cs1 12894074 GULYEUDQHIGTJP-UHFFFAOYSA-N 393.331 4.873 0 40 GJAB COc1ccc([C@@H](CNC(=O)/C=C/c2cccc(Cl)c2)N2CCCCC2)cc1 13095745 HTJVMZFAFQWETM-MKGTUJQCSA-N 398.934 4.705 0 40 GJAB CCOC(=O)/C(=C\OCCOc1ccc(Cl)cc1Cl)c1ccccc1 13471143 ZDBHWPVWGKCDKO-SSZFMOIBSA-N 381.255 4.993 0 40 GJAB CC(C)CNC(=O)c1cccc(NC(=O)CSCc2ccccc2Cl)c1 13945752 XTBWTCOCLZQCEG-UHFFFAOYSA-N 390.936 4.598 0 40 GJAB C[C@@H](NCc1sc2ccccc2c1Cl)c1ccc(S(C)(=O)=O)cc1 14241433 ZMFUWAMMRBTYHE-GFCCVEGCSA-N 379.934 4.809 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 15960744 HSLZRZGTWKOLTG-CYBMUJFWSA-N 376.294 4.980 0 40 GJAB Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@H](CCN(C)C)c1ccccc1 19718666 DMYHDLQTWXNOPI-OAQYLSRUSA-N 381.907 4.619 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)CSCc2ccc(F)cc2)cc1 20484472 ZWYYYWLDPYQULN-FQEVSTJZSA-N 375.509 4.971 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nccc(C(F)(F)F)n1 22614508 JPDXMBDEZMEAPE-UHFFFAOYSA-N 384.814 4.935 0 40 GJAB Cc1noc(CSc2ccc(C(=O)N(C)[C@@H]3CCCc4ccccc43)cc2)n1 23013988 JRLHBJPBQLUSST-HXUWFJFHSA-N 393.512 4.820 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2cc(Cl)ccc2Cl)C2CC2)c1 26028791 OCIQEJFDIPTAEL-UHFFFAOYSA-N 380.271 4.815 0 40 GJAB O=C(COc1ccccc1Cl)NC[C@H](c1cccs1)N1CCCCCC1 27662767 WRNJTMBQPMJLJD-QGZVFWFLSA-N 392.952 4.514 0 40 GJAB CCCc1noc([C@@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 27814589 JTOGUDZPMYEMJR-GFCCVEGCSA-N 398.513 4.636 0 40 GJAB COc1ccccc1CNC(=O)c1ccc(OCCSc2ccccc2)cc1 30754602 HXKXSBAIXZUOQF-UHFFFAOYSA-N 393.508 4.796 0 40 GJAB C[C@@H](NC(=O)c1ccccc1OC[C@@H]1CCCO1)c1cccc2ccccc12 32491327 ZIFUWYOIXMJPLK-MJGOQNOKSA-N 375.468 4.889 0 40 GJAB O=C(c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12)N1CCCC1 36618525 CMQMMDHNRWBGEB-UHFFFAOYSA-N 393.443 4.993 0 40 GJAB COc1ccccc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38835073 DSUYVEYJZYKDAN-AWEZNQCLSA-N 393.314 4.853 0 40 GJAB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 40086871 GCHJQEWKCUXELX-FCHUYYIVSA-N 398.591 4.579 0 40 GJAB Cc1sc(NC(=O)c2oc3c(c2C)C(=O)CCC3)nc1-c1ccc(F)cc1 40129569 PUCLEECIPMPCOQ-UHFFFAOYSA-N 384.432 4.930 0 40 GJAB Cc1cccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)n1 40144007 IVBLKZDDRGCFPN-UHFFFAOYSA-N 384.233 4.592 0 40 GJAB Cc1ccc(SCCC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1C 58314960 PHBQQRMAFHVHJM-GOSISDBHSA-N 386.536 4.567 0 40 GJAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1c(Cl)ccc2cccnc12 59121364 DDFLGNWTWOAHBS-UHFFFAOYSA-N 390.657 4.953 0 40 GJAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SCCn2cccn2)cc1 60532996 FLLLWOVSJBVWDH-UHFFFAOYSA-N 395.919 4.500 0 40 GJAB O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1Cc2ccccc2S1 65871769 YHBHWIOXMZQQQR-HXUWFJFHSA-N 381.447 4.887 0 40 GJAB Cc1cc2c(cc1C)[C@@H](N(CC(=O)Nc1cccnc1Cl)C1CC1)CCCO2 72309430 FDJKWOMVOLJJGY-IBGZPJMESA-N 399.922 4.669 0 40 GJAB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(CN2CCCC2)cc1 89787662 BPNXPKJHEDPTFG-UHFFFAOYSA-N 398.721 5.000 0 40 GJAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc(F)c(C)c3)n2)cc1 95947716 PWTSLRRPLQFKQK-ZDUSSCGKSA-N 397.475 4.707 0 40 GJAB CCC(=O)N(C)c1ccccc1C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 95962889 PPPDCWQGKBWRSE-UHFFFAOYSA-N 393.418 4.638 0 40 GJAB COc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)NCCc5cccs5)(C4)C2)C3)cc1 100789738 JHZBUTNMXCOMCJ-JSODFGIGSA-N 395.568 4.954 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc12 104068788 RROVAUSODFWSPM-GRZALLJUSA-N 379.529 4.950 0 40 GJAB CCCC[Sn]1(CCCC)OC[C@H](Cc2ccccc2)O1 195998271 ABHXUASUHISUOV-DXYFNVQQSA-N 383.120 4.687 0 40 GJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 224172290 PKYUAXURNWQTSP-ZDUSSCGKSA-N 387.892 4.881 0 40 GJAB COCc1cccc(NC(=O)COc2ccc(C(C)C)cc2Br)c1 224250683 KHSQIJIHNBFDLF-UHFFFAOYSA-N 392.293 4.736 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224623619 IAUJFXJYHTULSV-HXUWFJFHSA-N 389.923 4.990 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccccc1Cl 225037789 TWNQZSBQWOJXBV-FQEVSTJZSA-N 387.907 4.571 0 40 GJAB CC[C@H](CNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)Cc1ccccc1 225633348 ABDZCNRSBWSQPW-SFHVURJKSA-N 395.572 4.677 0 40 GJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225750119 KPMWCDPMMHSBFC-JOCHJYFZSA-N 378.557 4.721 0 40 GJAB CCN(C(=O)C(F)(F)F)c1cccc(-c2cc3ccccc3oc2=O)c1C 226358269 FUGFTGPQJCIVJZ-UHFFFAOYSA-N 375.346 4.684 0 40 GJAB CC(=O)Oc1cc2c(cc1C(C)=O)[C@@H]1CC[C@@]3(C)[C@@H](CC[C@H]3OC(C)=O)[C@@H]1CC2 252483597 FFTDLJHPIMGYHN-DDVTWJISSA-N 398.499 4.602 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 260759583 BXCQTOJTKKQVJU-UTKZUKDTSA-N 384.951 4.992 0 40 GJAB COc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c(OC)c1 409206295 TWDIGQVPFVRHGM-UHFFFAOYSA-N 387.819 4.782 0 40 GJAB CCc1nnc(-c2ccc(NC(=O)NC3(c4cccc(OC)c4)CCC3)cc2)o1 585100508 ZHLDXYJXFWKOIK-UHFFFAOYSA-N 392.459 4.509 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2N1c1cccc(F)c1 1615154284 FSGMKYMSKWSERW-UZLBHIALSA-N 386.898 4.999 0 40 GJAB Clc1ccc(Cc2nn3c(Cc4ccccc4)nnc3s2)c(Cl)c1 632778 QXGYNLHFYCAXDC-UHFFFAOYSA-N 375.284 4.674 0 40 GJAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 688807 PGRJRUKVXPDOPT-UHFFFAOYSA-N 390.914 4.821 0 40 GJAB Cc1ccc(-c2cc(NS(=O)(=O)c3ccccc3)n(-c3ccccc3)n2)cc1 704317 OZZZSUXNVODRQC-UHFFFAOYSA-N 389.480 4.649 0 40 GJAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C(C)(C)C 798264 OGJDFNOSRLJSDT-UHFFFAOYSA-N 391.489 4.594 0 40 GJAB COc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC 830168 RVYLSGRUCVZQGY-UHFFFAOYSA-N 390.650 4.925 0 40 GJAB COc1cc2cc(C)c(SCc3cc(=O)[nH]c4ccccc34)nc2cc1OC 928261 QGWJNZQUTHHTAT-UHFFFAOYSA-N 392.480 4.694 0 40 GJAB CCOc1ccccc1NC(=O)c1sc2nc3c(C)cccc3cc2c1N 1342865 UVLVZEZOAMXEBC-UHFFFAOYSA-N 377.469 4.991 0 40 GJAB O[C@@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 1568068 YZLLVZLRDRSNKO-YGRLFVJLSA-N 392.343 4.838 0 40 GJAB Cc1ccc(S(=O)(=O)NCC[C@H](c2ccc(OC(C)C)cc2)C(C)C)cc1 2236430 HFSDVEYTSVAEDE-QFIPXVFZSA-N 389.561 4.890 0 40 GJAB Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1 2290398 KZGRWZGOFNBHQC-UHFFFAOYSA-N 399.498 4.602 0 40 GJAB O=S(=O)(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc2ccccc2c1 2499528 JNTCAZLYLFHKHG-UHFFFAOYSA-N 390.508 4.678 0 40 GJAB CCCSc1nnc(CSc2ncccn2)n1-c1ccc(Cl)cc1 2706182 OZTGDAWXEYXXDU-UHFFFAOYSA-N 377.926 4.505 0 40 GJAB Cc1cccc(-n2ccnc2SCC(=O)N2CCCc3ccccc32)c1C 2723047 PNYNWXRDFAUTCI-UHFFFAOYSA-N 377.513 4.561 0 40 GJAB CNc1oc(-c2ccc(Cl)cc2Cl)nc1S(=O)(=O)c1ccccc1 3200481 TWLDKUWSGPSASE-UHFFFAOYSA-N 383.256 4.523 0 40 GJAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(Cl)cc2)c1 3324830 ABBAHKGVSXNING-UHFFFAOYSA-N 378.859 4.831 0 40 GJAB FC(F)(F)c1cccc(-c2cn3cc(I)ccc3n2)c1 4003122 FGMNAXBOYXTXAJ-UHFFFAOYSA-N 388.130 4.625 0 40 GJAB Cc1cccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3Cl)s2)c1 4072366 MXPMXIPCXPLVPI-UHFFFAOYSA-N 394.283 4.838 0 40 GJAB C[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 4174495 WALQHWLHUCOJGL-LLVKDONJSA-N 375.906 4.978 0 40 GJAB CC1(C)CC(Nc2c(Cl)c(Cl)c(Cl)c(Cl)[n+]2[O-])CC(C)(C)N1 4442295 IUMQCZUQIYCPGX-UHFFFAOYSA-N 387.138 4.655 0 40 GJAB CC(C)CC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(C(C)C)cc1 4732465 LZJIXXPJVXELLX-UHFFFAOYSA-N 377.492 4.762 0 40 GJAB COCCNC(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 4778161 AZFSYOCTBCQMAC-UHFFFAOYSA-N 398.466 4.732 0 40 GJAB O=C(NCCc1ccccc1)c1cc2sccc2n1Cc1ccc(F)cc1 4971313 PWJIAUFTNSOWAK-UHFFFAOYSA-N 378.472 4.863 0 40 GJAB COc1cccc(/C=C/C(=O)Nc2ccc(N3CCCCCC3)cc2)c1OC 5245106 FDHIICWALTZCGG-XNTDXEJSSA-N 380.488 4.736 0 40 GJAB COc1cccc(Nc2nnc(SCC(=O)c3cc(C)sc3C)s2)c1 5260349 OFVNRVJYLAEQCT-UHFFFAOYSA-N 391.543 4.944 0 40 GJAB CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 5274706 OAUFRWZHHBEZHY-SFHVURJKSA-N 399.903 4.504 0 40 GJAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2C)c1 5359662 PYYGKVTWJOAFQZ-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB Cc1ccccc1[C@@H](OC[C@@H](O)Cn1c(C)nc2ccccc21)c1ccccc1 5689546 KQJKBBSLPJYJGJ-OFVILXPXSA-N 386.495 4.820 0 40 GJAB CC(C)(CN1CCCCC1)C(=O)C[C@H](SCCN)c1ccc(Cl)cc1 5714966 LMVNYERSUUNDTO-SFHVURJKSA-N 383.001 4.544 0 40 GJAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)c1 6473015 FVSUTUCJNBDSOG-IGHDPAQPSA-N 392.480 4.535 0 40 GJAB O=C(CSc1ccc2ccccc2c1)NC[C@@H](c1ccco1)N1CCCCC1 6589088 FQNUFAOPDMZDGS-NRFANRHFSA-N 394.540 4.868 0 40 GJAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccccc4Cl)c3)nn12 6721163 BWMSKNRXILUOBJ-UHFFFAOYSA-N 397.891 4.629 0 40 GJAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1ccc(Br)cc1 7603936 HMPZROXVCAGGOO-UHFFFAOYSA-N 385.641 4.778 0 40 GJAB COc1ccc(CN(C(=O)/C=C/c2ccccc2Br)C2CC2)cc1 8164928 FAOGEEXYNAUBJX-MDWZMJQESA-N 386.289 4.662 0 40 GJAB O=C(NCc1ccccc1)c1ccccc1OCc1cc(-c2ccccc2)on1 8223345 LUXWEDBSOWDCBL-UHFFFAOYSA-N 384.435 4.851 0 40 GJAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)Cc3ccco3)cc12 8270721 JXOYLNMPPCGFDT-UHFFFAOYSA-N 399.903 4.973 0 40 GJAB CCCc1nnc(-c2cc3ccccc3n2Cc2cc(OC)cc(OC)c2)o1 9651397 DTCZJHDZAHAZIU-UHFFFAOYSA-N 377.444 4.709 0 40 GJAB Cc1ccc(-c2ccsc2C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 10220132 DIJLVRSWDWXQKF-LJQANCHMSA-N 380.513 4.883 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)cc1 11246738 LSYAHVLCRUSISX-UHFFFAOYSA-N 389.386 4.792 0 40 GJAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1 14673187 OKLSXRFNIGMPMW-UHFFFAOYSA-N 382.197 4.769 0 40 GJAB COc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)cc1Cl 15840532 ZSKYPBKNHFKIOU-UHFFFAOYSA-N 396.668 4.713 0 40 GJAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 17042241 FZEVNBFBLQCTBE-UHFFFAOYSA-N 385.876 4.538 0 40 GJAB CCc1ccc(N/C=C2/C(=O)N(c3ccccc3OC)C(=O)c3ccccc32)cc1 18152773 GXSCRMHJDUCFGF-LTGZKZEYSA-N 398.462 4.898 0 40 GJAB C/C=C/c1ccc(OCC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)c(OC)c1 19310879 FKGJGUZHRZKFDX-YQTDCCHMSA-N 383.488 4.629 0 40 GJAB Cc1ccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)cnn3c2C)cc1C 19817100 WHSDGWMSQDYWIN-UHFFFAOYSA-N 391.862 4.622 0 40 GJAB CCOc1cccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 20411753 MBVWKYQWXSKZTH-UHFFFAOYSA-N 384.457 4.513 0 40 GJAB O=C(Nc1ccccc1Br)c1cccnc1Nc1ccccc1F 22072690 OVMSMIANHCHAMU-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1C 29793554 KTOVJSUUVYVHTO-UHFFFAOYSA-N 387.892 4.787 0 40 GJAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccccc1F 33012557 ZIBNFSHFBUBEKB-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1Cl 33665482 VDRFSJRCLIEJGW-KRWDZBQOSA-N 390.892 4.673 0 40 GJAB COc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(Cl)c4)c3N)n2)cc1 38486926 ACBPPZIHJNTKTR-UHFFFAOYSA-N 397.891 4.610 0 40 GJAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 40104373 XHQGAFVAELHZPN-UHFFFAOYSA-N 389.858 4.660 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3cccc(CN4CCCC4)c3)c2)cs1 40157970 TWYHBOXMIVAYCA-UHFFFAOYSA-N 377.513 4.967 0 40 GJAB O=C(Nc1nnc(-c2cccc(F)c2)o1)C1(c2ccc(Cl)cc2)CCCC1 43918891 XQKUDHMYFYEMGI-UHFFFAOYSA-N 385.826 4.980 0 40 GJAB CCc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 57486565 LWQFEHHEYOVDIB-UHFFFAOYSA-N 390.418 4.545 0 40 GJAB Cc1nc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)cc2nc1C 58394211 NWAVHPHHOCLWJL-UHFFFAOYSA-N 388.393 4.584 0 40 GJAB CO[C@H](C)c1cccc(NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 67284991 PIVWEVDGFMBJGA-YJYMSZOUSA-N 392.858 4.792 0 40 GJAB CC(C)=CC(=O)NCc1ccc(C(=O)N[C@H](C)c2cccc3ccccc23)cc1 72302712 NWWSTOBPORBPLO-GOSISDBHSA-N 386.495 4.913 0 40 GJAB CCCn1nc(C(=O)N(c2ccccc2)[C@H](C)c2ccc(Cl)cc2)ccc1=O 72313254 JHXRVOWRQNLKKE-MRXNPFEDSA-N 395.890 4.715 0 40 GJAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN2Cc2ccccc2)n1 72376604 ORALPPFYWUVJMJ-OAQYLSRUSA-N 376.479 4.686 0 40 GJAB C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC(c1cccs1)c1cccs1 78974439 FYEXAJTXMVZYBS-CYBMUJFWSA-N 394.562 4.518 0 40 GJAB C[C@@H](CNC1CCN(C(=O)c2ccoc2)CC1)Cc1ccc(C(C)(C)C)cc1 95443050 XZMOEGKXIXVLFD-GOSISDBHSA-N 382.548 4.650 0 40 GJAB O=C(Nc1cccc(Cl)c1Oc1cccnc1)c1cnn(-c2ccccc2)c1 97695654 PTAPYKPATRVQPA-UHFFFAOYSA-N 390.830 4.965 0 40 GJAB Cc1cccc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)c2cccc(C)c2)C3)c1 100426210 AXUPIZQCDWPEMH-VXKWHMMOSA-N 391.515 4.651 0 40 GJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 107135106 DETFBVJBYDNRAZ-RYQLBKOJSA-N 394.481 4.612 0 40 GJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc(OC)c3OC(C)C)N21 222659806 PDFWXCFSJKKYRU-CWFSZBLJSA-N 397.544 4.857 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)c1 223748985 HKRYTGMCEGQABV-UHFFFAOYSA-N 381.497 4.916 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(C)c(C)c1 224457249 QNXOEOIHHZNKOK-JOCHJYFZSA-N 377.484 4.809 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224696995 QRYIEXXLYCZVKF-DEOSSOPVSA-N 394.559 4.709 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(Cl)c1 225685574 NHFPZIOBTRGEEV-MRXNPFEDSA-N 376.909 4.937 0 40 GJAB O=S(=O)(O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc3cccc1c32 226249494 YIMJJEMOBVRXBZ-UHFFFAOYSA-N 393.251 4.937 0 40 GJAB COc1cc(Br)c2[nH]c(-c3ccccc3Br)nc2c1 226343307 LJWICGCAJGUHDQ-UHFFFAOYSA-N 382.055 4.764 0 40 GJAB Nc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)c(Br)c1 227157364 WRQNXIDNTUMAHF-UHFFFAOYSA-N 375.197 4.683 0 40 GJAB CCCCC(=O)N1CCC[C@@H]1c1ccc(C(=O)O)c(CCc2ccc(F)cc2)n1 257236816 HDWVGVADLYONJH-OAQYLSRUSA-N 398.478 4.558 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 409110911 ZPPIMSNUTZBBCU-AWEZNQCLSA-N 390.936 4.989 0 40 GJAB COc1ccc(/C=C(/C(=O)Nc2ccc(NC(C)=O)cc2)c2ccccc2)cc1 409111522 DDAZFXHCQFMHIG-XQNSMLJCSA-N 386.451 4.833 0 40 GJAB CC(C)[C@@H]1CCCN1S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 1660480860 VDKIWARTQCMERR-SFHVURJKSA-N 379.909 4.941 0 40 GJAB CCOc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccccc2)cc1 993173 VNNNCNRQUIZZGH-UHFFFAOYSA-N 375.424 4.599 0 40 GJAB CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 1247077 KYAXNHQAMJTLPU-HNNXBMFYSA-N 386.542 4.575 0 40 GJAB O=C1S/C(=C\c2ccccc2)C(=O)N1CNc1cccc(C(F)(F)F)c1 1424017 DUJBYIFMSQMYDE-DHDCSXOGSA-N 378.375 4.811 0 40 GJAB CC(=O)Nc1cc2c(cc1Br)-c1ccc(Br)cc1C2 1592331 RIEMWFLIHOWCEF-UHFFFAOYSA-N 381.067 4.741 0 40 GJAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)sc1C 2257999 VWQUGTUGRHFASZ-SFHVURJKSA-N 388.448 4.616 0 40 GJAB CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cccc5ccccc45)cc1c32 2346309 DGVDCFVPJXUKOF-UHFFFAOYSA-N 397.430 4.784 0 40 GJAB Cc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 2411097 QUSWWHSNBYIYQH-MRXNPFEDSA-N 388.341 4.738 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccs1)CC2 3231030 WFBAVJNYBULZBI-LJQANCHMSA-N 385.510 4.615 0 40 GJAB C[C@]12CC[C@H]3c4ccc(OCc5ccc(F)cc5)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O 4027828 GWXDJKCRYNAAKC-YDUAIELLSA-N 396.502 4.593 0 40 GJAB O=[S@](Cc1cc(N2CCCC2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 4060061 IBXXFWUXBFEXJI-MHZLTWQESA-N 397.931 4.705 0 40 GJAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)cc3)n3ccccc23)cc1 4585214 YCKVDVIEMKWDQP-UHFFFAOYSA-N 383.451 4.622 0 40 GJAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1 4700140 SSBXQBJMUDKMBE-UHFFFAOYSA-N 384.479 4.716 0 40 GJAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CCCC4=O)c(C)c1 4735801 KTDXKSHWZDSGSL-UHFFFAOYSA-N 397.496 4.986 0 40 GJAB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccccc1 4784036 ZIIKXLKLIXOJHA-UHFFFAOYSA-N 387.892 4.505 0 40 GJAB O=C(NCCc1csc(-c2cccs2)n1)c1ccccc1Br 5451475 FENGXYALTKCLDN-UHFFFAOYSA-N 393.331 4.607 0 40 GJAB CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Br)c1 5881924 PLQUPJQSZBRKNV-GFCCVEGCSA-N 398.322 4.772 0 40 GJAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(N2CCCC2=O)cc1 6306189 OLJKJPQDRCIWKV-UHFFFAOYSA-N 398.506 4.765 0 40 GJAB COc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OCc1ccccc1 6510504 DJEYQXWCWNNTRC-UHFFFAOYSA-N 375.424 4.729 0 40 GJAB O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1-c1ccc(F)cc1 6918778 JCGZFEBVAQJWJO-UHFFFAOYSA-N 380.419 4.956 0 40 GJAB COc1cccc(CNC(=O)c2oc3ccccc3c2COc2ccccc2)c1 7015334 IDCPOHKLHDCFFA-UHFFFAOYSA-N 387.435 4.950 0 40 GJAB O=C(CSc1ncnc2sccc12)N(Cc1ccccc1)Cc1ccco1 7329412 MAXLUSRJWQPYQY-UHFFFAOYSA-N 395.509 4.605 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 7642031 HVXDILMBMJGOBF-INIZCTEOSA-N 380.488 4.517 0 40 GJAB CC(C)[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)OCCCO2 7781374 BOVHDDGYFLGHJH-QHCPKHFHSA-N 379.500 4.854 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 7944076 XRJKPSKKSPPNJY-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CC(C)c1nc2sc3c(NCc4ccccn4)ncnc3c2c2c1CCC2 8618327 LWYDOCCJTKEGNQ-UHFFFAOYSA-N 375.501 4.859 0 40 GJAB O=C(Nc1ccc(F)cc1)Nc1nnc(CSCc2ccc(F)cc2)s1 8914834 WHESRTLVJHEHNN-UHFFFAOYSA-N 392.456 4.894 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)c3ccc(C)c(C)c3)cc2c1 9461225 GLLSOLQVQOFKGR-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB COc1ccc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1F 10694860 QJFWTUYFQLMBKX-LJQANCHMSA-N 388.442 4.878 0 40 GJAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCCN(Cc2ccccc2)CC1 10707796 VKZDYGZAWJRNKS-UHFFFAOYSA-N 386.495 4.827 0 40 GJAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1cc2ccccc2o1 11695481 DTOJWMRHFDMWDK-UHFFFAOYSA-N 390.218 4.559 0 40 GJAB O=C(/C=C\c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 12375791 QIRBBJRUUTUFMY-MSUUIHNZSA-N 382.507 4.634 0 40 GJAB COc1ccccc1-c1nn(Cc2ccccc2)cc1CN[C@H](C)c1cccnc1 12536493 BFEYQDATKIPYMW-LJQANCHMSA-N 398.510 4.853 0 40 GJAB C[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)c1cccc(Cl)c1 12539646 YNRJDJYDEBOJOO-CQSZACIVSA-N 383.831 4.973 0 40 GJAB Cc1cc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1 12875928 RUKOQHOSZDZYOS-WZONZLPQSA-N 389.499 4.664 0 40 GJAB CC(C)(C)c1csc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)n1 14094264 YJUOLAJAFINBCA-UHFFFAOYSA-N 375.494 4.884 0 40 GJAB COc1ccc(CN(CCCn2ccnc2)Cc2cccc3cccnc23)cc1 19554738 BUROUBKPNQZVSK-UHFFFAOYSA-N 386.499 4.532 0 40 GJAB COc1ccc(CN2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 19564325 LJDFZTNLTCQQAO-OAHLLOKOSA-N 387.430 4.857 0 40 GJAB CCOc1ccc(CCC(=O)NCCSC2CCCCC2)cc1OCC 20104641 OGILFGRLCNDFPA-UHFFFAOYSA-N 379.566 4.599 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)c1 20485952 ZMFWHTSYVLVZDA-FQEVSTJZSA-N 377.440 4.813 0 40 GJAB O=C(COc1ccc(Cl)cc1Br)Nc1cnc2ccccc2c1 21137097 POFSBFQFQSWUMI-UHFFFAOYSA-N 391.652 4.668 0 40 GJAB Cc1cccc(-c2noc(-c3cccc(NC(=O)COc4ccccc4)c3)n2)c1 21792269 CDQMCXRUJVWXIM-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(CSc2ncn[nH]2)cc1 22243192 AJDPFUVGIJWNCC-UHFFFAOYSA-N 388.496 4.522 0 40 GJAB Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCCCC2)cc1 27582052 KNBFSNWQBLTLGI-DEOSSOPVSA-N 394.559 4.724 0 40 GJAB CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1 27664504 UUQXPUIKCGLFEU-OAQYLSRUSA-N 386.923 4.696 0 40 GJAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)Nc1ccccc1C(F)(F)F 28220489 UXULIYHWJWWZRN-UHFFFAOYSA-N 378.329 4.733 0 40 GJAB O=S(=O)(Nc1cccc(OC2CCCC2)c1)c1ccccc1Br 28260106 XEDNUYIYMIBWDX-UHFFFAOYSA-N 396.306 4.571 0 40 GJAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)Cc1nc2ccccc2[nH]1 30658657 AIEGQLGFRYQDDF-UHFFFAOYSA-N 396.903 4.920 0 40 GJAB O=C(C[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 31719317 ZQMHKZFWWMFSAS-XMMPIXPASA-N 388.486 4.962 0 40 GJAB O=c1cc(CSc2nc3cc(Cl)ccc3[nH]2)nc2sc3ccccc3n12 32911166 CBSZAEPZKFIMHE-UHFFFAOYSA-N 398.900 4.731 0 40 GJAB CC(C)(CNC(=O)c1cnc(-c2ccc(Cl)cc2)nc1)c1ccc(F)cc1 35317026 RQLYCDNZEBQRGN-UHFFFAOYSA-N 383.854 4.644 0 40 GJAB CSc1cccc2sc(N3CCN(C(=O)Nc4ccccc4C)CC3)nc12 49025962 DQMIBWQBGBQUDY-UHFFFAOYSA-N 398.557 4.681 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2ccccc2)CC1 57439439 QCLCHYRLEFVDJC-UHFFFAOYSA-N 379.548 4.694 0 40 GJAB O=C(c1sccc1-c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1 58416951 WNIHOLCXRQJROO-UHFFFAOYSA-N 384.451 4.656 0 40 GJAB Cc1ccc(-c2csc3ncnc(N4CCC[C@H](c5ccn[nH]5)C4)c23)cc1 71811750 HRFFRHILYXISHK-INIZCTEOSA-N 375.501 4.774 0 40 GJAB Nc1cc(Cl)c(NC(=O)c2ccc(Br)cc2)cc1N1CCCC1 72229329 WVVISDUDBNLULQ-UHFFFAOYSA-N 394.700 4.537 0 40 GJAB COc1ccc([C@H]2CC(c3ccc(F)cc3)=NC3(CCN(C(C)C)CC3)N2)cc1 80324992 PUVJMADWZPURDC-HSZRJFAPSA-N 395.522 4.559 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@H](C)C2 101835895 WQQWVBYKBCAENQ-RZLSGREXSA-N 375.534 4.813 0 40 GJAB Cc1ccc2nc(NC(=O)C(=O)CC(=O)c3cccc4ccccc34)sc2c1 102956774 YWSHWGMGQURNPB-UHFFFAOYSA-N 388.448 4.539 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 216469704 KVDHIXNODYQPTH-SFHVURJKSA-N 386.495 4.749 0 40 GJAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(C)c(C)c1 224284338 ZKWJVJUGZDWUQT-SFTDATJTSA-N 376.529 4.697 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COC(C)C 224424804 OSCQIVRMEAGUPJ-UHFFFAOYSA-N 378.266 4.635 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C 224461280 LKSUFVZLDUQBFD-WOJBJXKFSA-N 396.947 4.867 0 40 GJAB CCOc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 224464950 OEEBIPAHGMFFBK-CYVLTUHYSA-N 392.480 4.556 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCc2ccccc2CN2CCCCC2)cc1 224849815 VQVDKYCHRDOKPG-XMMPIXPASA-N 394.559 4.709 0 40 GJAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(Br)c(C)c1 225581719 KYYRESDMIFGMHX-INIZCTEOSA-N 398.414 4.699 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(OC)CCC(C)CC2)ccc1O[C@H](C)CC 225810761 DEVWIRDNEQSARY-JXORXQGFSA-N 391.508 4.574 0 40 GJAB COc1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)o2)c(N)c1 226348072 FCLPGPPXPXPREA-UHFFFAOYSA-N 387.233 4.552 0 40 GJAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(Oc2nccs2)cc1 238837596 HBWDKDAKWSIDPH-UHFFFAOYSA-N 380.454 4.706 0 40 GJAB CC(C)(C)c1ccc(NC(=O)NCC2CCN(C3CCSCC3)CC2)cc1 244933163 CELYYOSALMIFRY-UHFFFAOYSA-N 389.609 4.713 0 40 GJAB C[C@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc2c(c1)OCO2 257246074 ISJDXLCYRNUPEB-KMCYFTPSSA-N 396.439 4.534 0 40 GJAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(C)c2)cc1 408697949 KGVRARYAXUJFNG-UHFFFAOYSA-N 398.466 4.894 0 40 GJAB O=C(O)c1cccc(OCCN2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1 568065973 MGLJSLURIPLWMK-UHFFFAOYSA-N 393.405 4.662 0 40 GJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCO[C@@H](c2ccncc2)C1 580040441 MORCUTVXZXKJMC-XJKSGUPXSA-N 399.800 4.796 0 40 GJAB CC(=O)N1CCCCCCCCN(C(=O)c2ccc(C)nc2)Cc2ccccc21 643569309 BEDPTDLKRVOGSE-UHFFFAOYSA-N 393.531 4.740 0 40 GJAB CC(C)n1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 661688 FYOSNPKGMBQCGF-VCHYOVAHSA-N 379.847 4.973 0 40 GJAB Cc1ccc(N2C(=O)C(Sc3ccccc3)=C(N3CCCCC3)C2=O)c(C)c1 951853 VSIDPJQCNGDMGL-UHFFFAOYSA-N 392.524 4.666 0 40 GJAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)c3cccs3)c(=O)[nH]c2c1 1358578 WTOJVFWAGQPPLE-UHFFFAOYSA-N 394.521 4.802 0 40 GJAB Cc1ccc2ccccc2c1COc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1 2092279 AVEOLXNIMODRHL-UHFFFAOYSA-N 388.419 4.769 0 40 GJAB biogenic CCC(CC)COC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2263520 XTDREEMKYIZBJE-UHFFFAOYSA-N 382.508 4.806 0 40 GJAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 2723185 OBSHOLCZLQFYGC-UHFFFAOYSA-N 387.892 4.574 0 40 GJAB C[C@@H]1C[C@@H](C)CN(Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)C1 3290918 PPHJCAUFCYZVDI-CHWSQXEVSA-N 387.936 4.783 0 40 GJAB COc1ccccc1NC(=O)COC(=O)c1oc2c(ccc3ccccc32)c1C 3393005 IHIBPXMWXZQCRJ-UHFFFAOYSA-N 389.407 4.699 0 40 GJAB CCCCNC(=O)CSc1nc(-c2ccccc2)nc2ccc(CC)cc12 4895520 CHOADIKFIANSRG-UHFFFAOYSA-N 379.529 4.868 0 40 GJAB Cc1ccc(-c2ocnc2C(=O)Nc2ccccc2NC(=O)c2ccccn2)cc1 5001994 XCGZZWLZVSIIFJ-UHFFFAOYSA-N 398.422 4.550 0 40 GJAB CCN(CC)CC(=O)NCC[C@H](Cc1ccccc1)c1ccc(OC(C)C)cc1 5069867 DACUIVBSCXYHKH-HSZRJFAPSA-N 396.575 4.648 0 40 GJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccco3)c2C(N)=O)C1 5454205 VSTHZHPJBSSOBH-FROQITRMSA-N 386.517 4.633 0 40 GJAB CC[C@H](C(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1)c1ccccc1 5836896 SCWYYNBEMKSAGA-FQEVSTJZSA-N 381.472 4.591 0 40 GJAB O=S(=O)(Nc1ncccc1OCc1ccccc1)c1ccc2ccccc2c1 6057233 RFNHEDFDECDQRD-UHFFFAOYSA-N 390.464 4.615 0 40 GJAB S=C(c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)N1CCOCC1 6322145 DVXPCVUREYJMJI-UHFFFAOYSA-N 382.312 4.580 0 40 GJAB COc1ccc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)cc1 6441499 SWIXOVKVVLBDPB-UHFFFAOYSA-N 387.511 4.889 0 40 GJAB O=C([C@@H]1COc2ccccc2O1)N(c1ccccc1)c1nc2ccccc2s1 7271237 IQSLOAMUKKQTQJ-IBGZPJMESA-N 388.448 4.801 0 40 GJAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(OCc2ccccc2)cc1 7910901 VUSVYNWMXXSDFZ-UHFFFAOYSA-N 399.450 4.887 0 40 GJAB Cc1cc(C)cc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 7928807 GVYWEKRFGVJMII-CYBMUJFWSA-N 378.255 4.569 0 40 GJAB C[C@H](NC(=O)CSc1nc2ccccc2n1-c1ccccc1)c1ccco1 8232912 WICWXIKBDZFYIJ-HNNXBMFYSA-N 377.469 4.588 0 40 GJAB Cc1n[nH]c(-c2ccc(OCCN3CCCCC3)cc2O)c1-c1ccccc1 8740577 XTGVBSAMHYBCEH-UHFFFAOYSA-N 377.488 4.622 0 40 GJAB C[C@@H]1CCc2sc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc2C1 11214539 PNRQKOQBVKQAIJ-CYBMUJFWSA-N 380.469 4.971 0 40 GJAB COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(-n3ccnc3)cc2)c1 12547892 PPACRMOMGYCNDT-QHCPKHFHSA-N 396.450 4.652 0 40 GJAB Cc1ccc(Oc2ccc(OCC(=O)N3CCC[C@H]3c3cccnc3)cc2)cc1 12553083 OERAIMONJOFMLB-QHCPKHFHSA-N 388.467 4.925 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(OC(F)F)cc1 12787589 JTOJZMHKLJXOMY-UHFFFAOYSA-N 388.395 4.599 0 40 GJAB COc1ccc(OCCC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 12919080 HAALNJIOUYIXLV-JOCHJYFZSA-N 383.488 4.617 0 40 GJAB COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C2CCCC2)CO4)cc1 13718348 SBEJFWIFMQCTDX-UHFFFAOYSA-N 377.440 4.563 0 40 GJAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 14228312 ARBCBHPPQJULAQ-LJQANCHMSA-N 394.496 4.837 0 40 GJAB COCCn1cc(CN[C@H](Cc2ccsc2)c2nccs2)c2ccccc21 19594210 QSRJJKWNUIZZLQ-LJQANCHMSA-N 397.569 4.879 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3ccccn3)CC2)n1 19691187 KEPBESNOTOYOOV-UHFFFAOYSA-N 375.447 4.611 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)c(Cl)c1 20451524 STCMRNMVIFECAN-UHFFFAOYSA-N 383.831 4.931 0 40 GJAB CC(C)(C)SCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20494680 LLLQZIPLLXZCIY-UHFFFAOYSA-N 382.573 4.901 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 21369095 CDRABIACHIIYTN-HOTGVXAUSA-N 379.456 4.502 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)c3cn(C)c4ccccc4c3=O)ccc21 22234248 UGPMCPDCKXHPMF-UHFFFAOYSA-N 395.462 4.919 0 40 GJAB CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCCCC2)cc1 23109710 MOFFLIFRXGNLNY-UHFFFAOYSA-N 394.540 4.929 0 40 GJAB COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc(OC)c1C 23548763 RPOOISLXBPTUGE-OAHLLOKOSA-N 396.512 4.642 0 40 GJAB Cc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)cc1 24961891 FSSJNYXEBFJICT-HXUWFJFHSA-N 376.456 4.758 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc3c4c(cccc24)CC3)c1C 26274394 UUVBUNRJGOFTJZ-HNNXBMFYSA-N 389.451 4.514 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@H]3c3ccncc3)o2)cc1C 27280351 NTEZBJZGPKXDMF-FQEVSTJZSA-N 375.472 4.650 0 40 GJAB CCc1sc(NC(=O)c2ccco2)nc1-c1ccc(Br)cc1 27757235 WXCQUDIIYBQMLS-UHFFFAOYSA-N 377.263 4.980 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)Oc3ccc(C)cc3OC)s2)cc1OC 29761473 RBROMQWRPNTDFC-UHFFFAOYSA-N 399.468 4.672 0 40 GJAB Nc1ccccc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 32692894 LUTLUPFYEOEXFX-UHFFFAOYSA-N 375.906 4.777 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)/C=C/c1cccs1 33094229 MBVOIULLVCNQOH-IQIBNGDESA-N 395.311 4.698 0 40 GJAB O=C(O)[C@H]1CS[C@@H](c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)N1 33479307 FRSPVSUUNAPNSE-XLIONFOSSA-N 399.899 4.860 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2cccc(Cl)c2)CC1 40097032 DRQZXNAEKFQPCU-UHFFFAOYSA-N 399.800 4.593 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(C)C)cc2)no1 48343843 PDJVFFCMKAXBAC-UHFFFAOYSA-N 383.473 4.710 0 40 GJAB COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1 62714638 DRGIVPHXQGWSFS-RIYZIHGNSA-N 375.424 4.632 0 40 GJAB CN(c1ccccc1)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72214238 MTLGATNPMQAKGB-UHFFFAOYSA-N 383.492 4.727 0 40 GJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 72376798 DJBHMBIIDHBMLU-IBGZPJMESA-N 392.890 4.747 0 40 GJAB Nc1[nH]nc(Nc2ccccc2)c1C(=O)Nc1ccc2c(c1)oc1ccccc12 72408148 AFWZFIHPLLDPRX-UHFFFAOYSA-N 383.411 4.887 0 40 GJAB Cc1nc2ccc(NC(=O)N3CCC(Oc4ccc(C)c(C)c4)CC3)cc2o1 95351914 KSBWSEYBDREOHU-UHFFFAOYSA-N 379.460 4.828 0 40 GJAB COC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)c1 95459074 KQHVPEIFCACATQ-UHFFFAOYSA-N 388.423 4.719 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC2CC2)c2ccccc23)s1 96052981 ROQXHNLUJLWXAF-SFHVURJKSA-N 394.584 4.746 0 40 GJAB COc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Cl)c1OC(C)C 97987524 BTKUCMWMHGOVDX-MDWZMJQESA-N 377.849 4.542 0 40 GJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1F)c1nc3ccccc3nc12 100190300 RGRFTQAEEOJLCI-DHIUTWEWSA-N 375.447 4.737 0 40 GJAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C(C)C 222839462 AMQHYZPOYHWDMA-RTWAWAEBSA-N 376.529 4.562 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccc(C)c(C)c1 223208816 FDRKJRNUJZPQKC-DVECYGJZSA-N 395.543 4.923 0 40 GJAB COc1ccc(-c2nnc(NC(=O)CSCc3cc(C)cc(C)c3)s2)cc1 225788618 YXZQRALHMJINGY-UHFFFAOYSA-N 399.541 4.702 0 40 GJAB Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc(Br)c1O 226243045 VUOARRIDCIEHHR-UHFFFAOYSA-N 392.293 4.778 0 40 GJAB COc1ccc(Nc2ncncc2-c2nc(-c3cccs3)no2)cc1Cl 252495268 OOVAKMKDTHYZEO-UHFFFAOYSA-N 385.836 4.661 0 40 GJAB COCCC(=O)N[C@]1(C)C[C@H](c2ccccc2Cl)O[C@@H]2C[C@H](C)CC[C@H]21 257218200 DCFQSQPEBVUPAS-PZBVGEIHSA-N 379.928 4.518 0 40 GJAB COc1cc(C=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 408539670 JFVQPUYRYARSQI-UHFFFAOYSA-N 378.424 4.674 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)OC)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 408626113 ZWIKECLFGIFQCD-KHDMTIDOSA-N 391.467 4.556 0 40 GJAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccc(F)cc1 408700188 ZHMZEYKIGAZZSB-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB COc1cc(Cl)c(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OC 409106949 PGCQPXZFYKHMJN-XGICHPGQSA-N 383.753 4.869 0 40 GJAB COCCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O 409251355 PMJUVLFZCVOSGY-FOWTUZBSSA-N 389.498 4.812 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 538656448 FUPIJKMSNCMTNT-UHFFFAOYSA-N 395.422 4.841 0 40 GJAB c1cc2c[nH]nc2cc1CNC1(c2noc(C3CCCC3)n2)CCCCCC1 660271567 HXKHZBHUWGDEQT-UHFFFAOYSA-N 379.508 4.943 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)Cc2ccc(F)cc2)CN1c1cccc(F)c1 1615152566 AMMDFWIZAMQZOJ-QHCPKHFHSA-N 384.470 4.557 0 40 GJAB CCN(Cc1cc(Cl)c(OC(F)F)c(OC)c1)[C@H]1CCOC(C)(C)C1 1615580365 AFNNJLJYQJAQKC-ZDUSSCGKSA-N 377.859 4.730 0 40 GJAB COc1ccc(-c2oc(=O)n(Cc3cccs3)c2-c2ccc(OC)cc2)cc1 1428051 JLOUBFMIYXATCP-UHFFFAOYSA-N 393.464 4.902 0 40 GJAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1cc(C)c(C)cc1C 2367437 KMIVIUZMWQYLCA-UHFFFAOYSA-N 380.444 4.531 0 40 GJAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1c(Cl)cccc1Cl 3320867 UGAPHGOWLFIKOK-UHFFFAOYSA-N 394.298 4.978 0 40 GJAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cccnc1Cl 3324091 IODYTEYPEPVZAK-FQEVSTJZSA-N 390.826 4.997 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(Cl)s2)cs1 4242144 WSWXSLYWAWHDAZ-UHFFFAOYSA-N 392.889 4.900 0 40 GJAB CNC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CC[C@H](C)C2 4326475 FQGOCDZHRYJOBC-AWEZNQCLSA-N 392.524 4.567 0 40 GJAB Cc1ccc(N2C(=O)c3ccccc3N[C@]2(C(=O)O)c2ccccc2)cc1Cl 4708856 OJGKTLMXHSFTAM-JOCHJYFZSA-N 392.842 4.658 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(F)c(F)cc1Cl 4985413 ZBROKKOICDIZPD-PSTGCABASA-N 388.838 4.779 0 40 GJAB Cc1cccc(NC(=O)N[C@H]2CCCC[C@H]2NC(=O)Nc2cccc(C)c2)c1 6598407 NAUDTJOSLDFUPG-BGYRXZFFSA-N 380.492 4.558 0 40 GJAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C1=O 6655326 GBFOSTILHPLDSO-KBVGCWLLSA-N 383.897 4.972 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 6944068 IQUYXMVMPXVALA-GFCCVEGCSA-N 384.501 4.678 0 40 GJAB CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1O 6958691 IDGYJHJLIJELCH-HBVQVORYSA-N 382.913 4.533 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(C2CC2)o1)c1ccccc1 7288602 FTORJZCFODTGJZ-SFHVURJKSA-N 395.484 4.736 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C)c3C)c2)cc1 8207415 QNKSLYHDGJGYPW-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 8317249 YCEOYPAWAMELJK-UHFFFAOYSA-N 391.342 4.830 0 40 GJAB COc1cc(CNc2ncnc3sccc23)ccc1OCc1ccccc1 8325332 YVMMCQKURQCLBT-UHFFFAOYSA-N 377.469 4.891 0 40 GJAB CCn1c(SCCCOc2ccc(C=O)cc2)nnc1-c1ccc(C)cc1 8731808 PTXVRQSLPINWSR-UHFFFAOYSA-N 381.501 4.647 0 40 GJAB COc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 9281295 MQLKAONRKSADHJ-UHFFFAOYSA-N 390.483 4.512 0 40 GJAB C[C@@H](NC(=O)COc1ccccc1Br)c1ccc2ccccc2c1 10238585 DVEDRXGCWFCDAP-CQSZACIVSA-N 384.273 4.859 0 40 GJAB CCOC(=O)c1sc(NC(=O)Cc2ccc(C)c(C)c2)nc1-c1ccccc1 10702532 XJJSPJRESVHJCY-UHFFFAOYSA-N 394.496 4.785 0 40 GJAB CCOc1cc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)nc(C)n1 11613256 OYUGQNFSUGIUGI-UHFFFAOYSA-N 382.851 4.833 0 40 GJAB Cc1c(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)oc2c1ccc1ccccc12 12528849 SPZSWFHZLCRGOJ-BXTJHSDWSA-N 393.483 4.992 0 40 GJAB COc1ccc(-c2cc(NC(=O)c3ccc(-n4ccnc4)cc3)ccc2OC)cc1 12535687 OHFAPOXVPABGLT-UHFFFAOYSA-N 399.450 4.809 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 12581957 KFOVINAOVKFKSP-ZLDLUXBVSA-N 388.291 4.549 0 40 GJAB CC(=O)c1ccc(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)s1 12927890 YWQSXCSPBBTAMB-VVWGJOJXSA-N 387.504 4.978 0 40 GJAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1SCc1ccco1 12973192 PENJAVBJAJSHHS-UHFFFAOYSA-N 394.496 4.557 0 40 GJAB CC(C)c1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12974523 JGDOWSWMECFPPH-UHFFFAOYSA-N 389.499 4.889 0 40 GJAB CCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)sc1C 12999005 OTGQZDNKJYXHDJ-JTQLQIEISA-N 383.872 4.986 0 40 GJAB C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2cccc(Cl)c2)CC1 13709256 XXIRXSUKVPQKHI-QGZVFWFLSA-N 394.902 4.609 0 40 GJAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(C)cc1 14082296 OKXJHMCTSRCUMP-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB CC(=O)c1ccccc1OCCOc1ncnc2c(Cl)cc(Cl)cc12 14110028 OABLSZDQWCWYLL-UHFFFAOYSA-N 377.227 4.597 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)c1 14553163 JUKJHWUFOHTLAH-GOSISDBHSA-N 388.467 4.962 0 40 GJAB C=C1C[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 15449360 UDKABVSQKJNZBH-VJUMFLBISA-N 396.527 4.741 0 40 GJAB O=c1c2ccsc2ncn1/N=C/c1cccc(OCc2ccccc2Cl)c1 15514108 NVKIZAFEOBWMHA-FOKLQQMPSA-N 395.871 4.573 0 40 GJAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCCC2)o1 15860417 YVPSOAQWARIAHC-GOSISDBHSA-N 384.451 4.739 0 40 GJAB Cn1c2ccccc2n2c(C(=O)NC(=O)c3ccccc3)c(-c3ccccc3)cc12 16756876 PRPZQOWLHVEPQJ-UHFFFAOYSA-N 393.446 4.668 0 40 GJAB Cc1ccc([C@@H](NC(=O)CCc2ccc3c(c2)C[C@H](C)O3)c2cccnc2)cc1 19136663 IHXHKUMAIFUSHL-AVRWGWEMSA-N 386.495 4.552 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1cccc(Cl)c1 20461796 AVSLUDLMZWDAOX-LJQANCHMSA-N 377.937 4.855 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)c3ccccc3)no2)cc1 27579921 YEPFZFNOXIXRJQ-UHFFFAOYSA-N 398.418 4.834 0 40 GJAB Cc1cccc(-c2nnc(S[C@@H]3CCCCCC3=O)n2Cc2ccco2)c1 28189210 MSSJSJCIANHEKY-LJQANCHMSA-N 381.501 4.889 0 40 GJAB CCC(=O)Nc1ccc(-c2nc(-c3[nH]c(C)c(C(=O)OC)c3C)c(C)s2)cc1 40051929 UZNZGGDOHUETBJ-UHFFFAOYSA-N 397.500 4.866 0 40 GJAB CCCN(Cc1ccccc1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 44243679 KZJVWHMKJPZLDH-UHFFFAOYSA-N 385.895 4.911 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Br)cc2)cc1 44949669 FHTAQFQELPXCJD-GOSISDBHSA-N 376.294 4.975 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3OCC(C)C)c3c2CCC3)cc1 48290910 WPWDDVCKKRPIDV-UHFFFAOYSA-N 389.499 4.957 0 40 GJAB COc1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)c1 49005252 UPCHZVONYWGSAC-MRXNPFEDSA-N 390.487 4.705 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1nnc(C(C)C)s1 50294898 JYIAPKPROIFWLO-UHFFFAOYSA-N 378.910 4.999 0 40 GJAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc(O)cc1 57559970 YLAJZAWTZKQEMR-UHFFFAOYSA-N 378.375 4.716 0 40 GJAB CC(C)OC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1 62715198 WIXOWMQUOGNEFZ-DHZHZOJOSA-N 375.262 4.993 0 40 GJAB C[C@@H]1CCC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)C1 71084642 ZDIWXOUSOHUVGI-CMJOXMDJSA-N 379.456 4.559 0 40 GJAB NC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 72352455 VEKXVWZOXNJZCY-KRWDZBQOSA-N 387.508 4.538 0 40 GJAB Cc1nccn1Cc1cccc(CNC(=O)[C@@H](C)CCCc2ccccc2)c1 95462906 XSWCHRULXQAIRH-IBGZPJMESA-N 375.516 4.515 0 40 GJAB O=C(c1cc2c(Cl)cccc2[nH]1)N1CCC(O)(c2ccc(Cl)cc2)CC1 96117986 XPEAULBVIBRQFU-UHFFFAOYSA-N 389.282 4.599 0 40 GJAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](CCc3ccccc3)[C@@H]1[C@H]2C 100741079 FCPKYEAPHJRRQX-NJBPOOFMSA-N 385.548 4.987 0 40 GJAB Oc1nc2ccccc2nc1/C=C\NC(=S)Nc1cc(Cl)ccc1Cl 104303815 CIQQRHBDZZGNCP-FPLPWBNLSA-N 391.283 4.600 0 40 GJAB COc1ccc([C@H]2CCCCN(C(=O)c3cc4cccc(OC)c4o3)C2)cc1 208002611 VTRJLISXZZHWIE-SFHVURJKSA-N 379.456 4.860 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1 218986753 YFWKGKRGCBBXFG-UHFFFAOYSA-N 375.424 4.695 0 40 GJAB CC[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccccc1C 223932560 GSKGYSYFYJQUTL-LJQANCHMSA-N 375.534 4.865 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)cc1C 224137595 XSCXJPJHZRXWKM-UHFFFAOYSA-N 391.496 4.727 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 224909882 XMDSZQZZOYXWIV-QGZVFWFLSA-N 380.488 4.651 0 40 GJAB COc1ccc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1Cl 225209146 KTFPFMRPDUBELV-UHFFFAOYSA-N 399.878 4.626 0 40 GJAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 243120091 JHBICTAYLLEEMR-UHFFFAOYSA-N 389.860 4.942 0 40 GJAB O=C(O)c1cccc(CN2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)c1 257344301 ZWNJUKBSDQMBBZ-NRFANRHFSA-N 394.446 4.830 0 40 GJAB COc1c(F)c(F)c(C(=O)Nc2nc3c(C)cc(C)cc3s2)c(F)c1F 408619968 FEJYTMDNANJYLK-UHFFFAOYSA-N 384.354 4.730 0 40 GJAB NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408621095 JPSDBRHABNKASV-UHFFFAOYSA-N 375.211 4.605 0 40 GJAB Cc1ccc(C(=O)Sc2nnc(-c3ccc(Br)cc3)o2)cc1 408691961 ZZVFZFTUELHIEK-UHFFFAOYSA-N 375.247 4.740 0 40 GJAB O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@H]1CC[C@H]1c1ccc(F)cc1 528365860 GNNXVWQLRRWILM-HOTGVXAUSA-N 387.361 4.946 0 40 GJAB O=C(c1ccc2c(c1)CCC=C2)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 656422815 FCMXGHNJYQGHRD-XPGKHFPBSA-N 398.550 4.629 0 40 GJAB O=C(N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1cc2ccc(Cl)cc2[nH]1 1624702746 HMASTYYYENEEGB-OAHLLOKOSA-N 396.796 4.694 0 40 GJAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)CC(=O)N1 708814 CTYXBMYAWBRVKS-CQSZACIVSA-N 382.287 4.747 0 40 GJAB Nc1c(Br)cc2oc(-c3ccccc3F)nc2c1Br 1295675 CYHWYNYSVIMTFV-UHFFFAOYSA-N 386.018 4.741 0 40 GJAB Cc1cccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CC(C)(C)C4)c1 2312432 XNMUEXSVYLLYQO-UHFFFAOYSA-N 379.485 4.594 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 2621670 NYVGPZUGGIHPHN-UHFFFAOYSA-N 394.496 4.785 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 2634735 UNIYEBRFJRHCBC-UHFFFAOYSA-N 385.241 4.542 0 40 GJAB Cc1ccc([C@@H](NC(=O)Nc2nccs2)C(Cl)(Cl)Cl)cc1F 3177711 PGUUNWKXOREALF-SNVBAGLBSA-N 382.675 4.824 0 40 GJAB COc1ccc(CNCC[C@]2(c3ccccc3)CCO[C@H](C(C)C)C2)cc1OC 4038280 HKZGFXRTZIEFRY-DQEYMECFSA-N 397.559 4.957 0 40 GJAB biogenic COc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 4521960 CEBRQDGBHCMWHU-UHFFFAOYSA-N 397.540 4.964 0 40 GJAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 4700394 QNSIBACCNJNWBZ-LJQANCHMSA-N 388.467 4.619 0 40 GJAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccnc2)n2c(nc3ccccc32)N1 4767925 UVEVWKAJDVDIRV-OAQYLSRUSA-N 388.471 4.596 0 40 GJAB Cc1ccc2nc(N3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3S)sc2c1 5046811 QZWUUWQSQOOSLS-ZROIWOOFSA-N 385.901 4.932 0 40 GJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2c(F)cccc2F)cc1 5256241 ABRJLFMBUJXGIQ-NRFANRHFSA-N 397.425 4.802 0 40 GJAB O=C(Nc1nc(-c2ccncc2)cs1)c1cc(Br)ccc1Cl 6831395 VGQKRCFGLXPQBE-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 6880997 RUUSNCVZPWZRDU-GFCCVEGCSA-N 385.722 4.956 0 40 GJAB COc1cc2c(cc1NC(=O)[C@H](C)Sc1ncccn1)oc1ccccc12 6912515 MYEBJBWRMNHUBL-LBPRGKRZSA-N 379.441 4.504 0 40 GJAB CCc1cccc2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc12 7424559 KPZOLRDKTJUVBS-UHFFFAOYSA-N 396.541 4.854 0 40 GJAB O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928375 XHSDZANQZYFSDF-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 8270095 DZPVFBMSBWTHGW-UHFFFAOYSA-N 388.939 4.700 0 40 GJAB O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1ccc(OC(F)(F)F)cc1 8769941 JLXQYCFXTRPSQG-UHFFFAOYSA-N 393.390 4.706 0 40 GJAB Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 8846092 SCSWWSFHPSKBNZ-QFIPXVFZSA-N 396.446 4.550 0 40 GJAB COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2)cc1 9076263 MYXLUSIXTHVSSX-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)Cc2ccc(OC)c(OC)c2)cc1 13569089 GCVSMFNIPAWAIQ-UHFFFAOYSA-N 376.500 4.864 0 40 GJAB Cc1ccc(C)c(OC[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c1 15860779 DSBPFZFPTYHPCD-OAQYLSRUSA-N 386.495 4.684 0 40 GJAB COc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1C 16362792 TYOMMXWIQPMGIN-UHFFFAOYSA-N 391.467 4.571 0 40 GJAB COCc1c(C(=O)Nc2ccc3c(c2)nc(C)n3C2CCCCC2)noc1C 19666798 ZTAIXHHSKFCDNI-UHFFFAOYSA-N 382.464 4.545 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 20044604 PVFPJODDHNIWGL-MRXNPFEDSA-N 375.896 4.644 0 40 GJAB Cc1ccccc1[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccccc1 20492456 DARNAGDUTKRCGO-NRFANRHFSA-N 385.916 4.857 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN([C@H](C)c1ccccc1)CO2 20609853 HXEHWORVENTUNM-MRXNPFEDSA-N 375.468 4.893 0 40 GJAB biogenic O=C(COc1ccccc1)Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1 20738105 SXNKLOLWRFVUAQ-UHFFFAOYSA-N 379.803 4.561 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@H]4CCCC[C@H]4C3)n2)cc1 22409319 YMAGGINJSWLMBN-QUCCMNQESA-N 381.520 4.831 0 40 GJAB CCOC(=O)c1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1Cl 22527347 YXMCDWOYKJAHMD-UHFFFAOYSA-N 389.879 4.832 0 40 GJAB Fc1ccc(-c2nnc(CN3CCC[C@@H]3c3nc4ccccc4s3)o2)cc1 23409322 QHSRQQPZKOAHGR-MRXNPFEDSA-N 380.448 4.823 0 40 GJAB COc1ccc(Br)cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 25667218 JBZNJSITXQOVOR-UHFFFAOYSA-N 390.258 4.977 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 26625385 NDFFLQDACHSDMG-UHFFFAOYSA-N 384.907 4.882 0 40 GJAB O=C(c1cccc(OCc2cscn2)c1)N1CCC(Cc2ccccc2)CC1 31335173 UMFDWZXHGBOLBF-UHFFFAOYSA-N 392.524 4.817 0 40 GJAB Cc1nc(NC(=O)c2ccccc2F)sc1-c1nc(-c2ccc(F)cc2)no1 31816639 LXIUGKYUIHAUQM-UHFFFAOYSA-N 398.394 4.699 0 40 GJAB CCOC(=O)N[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 33637565 PJSKCZOFESPXGI-INIZCTEOSA-N 380.366 4.521 0 40 GJAB O=C(CSc1ccc(F)cc1)NCc1cc(-c2cc3ccccc3o2)on1 38754623 BDTUBRZMNSZKJI-UHFFFAOYSA-N 382.416 4.635 0 40 GJAB O=C(OC[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)c1cccc(Cl)c1 40158877 PODJCQWGVMRAAJ-AWEZNQCLSA-N 392.282 4.703 0 40 GJAB Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccc(C)cc2)cc1 44086499 ZBKXFGIMFSJPGO-UHFFFAOYSA-N 391.540 4.871 0 40 GJAB COCc1c(C(=O)Nc2cc(C)nn2C(C)(C)C)sc2cccc(F)c12 45784634 NIHGJGKLNWVDCF-UHFFFAOYSA-N 375.469 4.699 0 40 GJAB O=C(OCc1csc(-c2ccccc2Cl)n1)[C@H]1CC(c2ccccc2)=NO1 61321543 NFITYEHQJYLPGS-GOSISDBHSA-N 398.871 4.700 0 40 GJAB Cn1nc2c(c1NC(=O)COc1ccc(Cl)cc1C1CCCCC1)CCC2 65855854 ZQYAHPACGKMBAI-UHFFFAOYSA-N 387.911 4.627 0 40 GJAB Cc1cc(N)cc2nc(-c3cc(I)ccc3Cl)oc12 70461462 QWTYMRYTYYYFAW-UHFFFAOYSA-N 384.604 4.643 0 40 GJAB CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1Cl 75104785 JTPDSGPDGZPFFF-KDOFPFPSSA-N 377.916 4.522 0 40 GJAB O=C(Nc1ccccc1OC(F)(F)F)N1CCC([C@H](O)c2ccccc2)CC1 89826098 DEBMEJCBEKGVFW-GOSISDBHSA-N 394.393 4.563 0 40 GJAB O=C(CN1CCC(c2nnc(-c3ccsc3)o2)CC1)c1ccc(Cl)cc1 96024382 SKQDXSCRXZDARF-UHFFFAOYSA-N 387.892 4.514 0 40 GJAB Cc1ccc(N2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)cc1 219864848 TXJFEDJFDMWZQL-JOCHJYFZSA-N 392.543 4.938 0 40 GJAB CCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1C(=O)OCC 225829751 LKDMQMHVFXPFHJ-UHFFFAOYSA-N 391.508 4.720 0 40 GJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC2=CCCCC2)c1 225854136 MCQMZGZOAGMEHZ-PGMHBOJBSA-N 394.540 4.834 0 40 GJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(Cl)ccc1O 408572580 KNPFCNJQLYURBU-DHZHZOJOSA-N 398.871 4.832 0 40 GJAB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)C(Cl)(Cl)Cl 408628637 VQTDCVWNGCXPTF-UHFFFAOYSA-N 391.041 4.852 0 40 GJAB O=C(O)Cc1sc(=Nc2cc(Cl)cc(Cl)c2)[nH]c1-c1ccccc1 408895744 OCDWLXJRRFBRRR-UHFFFAOYSA-N 379.268 4.910 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 409241442 NHWYVCJGXRQPHB-CPNJWEJPSA-N 383.469 4.721 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409360559 QWOKBOMDUCQVGN-VCBZYWHSSA-N 382.426 4.602 0 40 GJAB O=C(CCC(=O)N[C@H]1CCCCc2ccccc21)CCC(=O)c1cccs1 523432872 VIHHMHCNYKFJRH-IBGZPJMESA-N 383.513 4.644 0 40 GJAB O=C(NCC[C@@H](CCO)c1cccs1)C1c2ccccc2Oc2ccccc21 575606250 FSQZDAKVVUTUEU-INIZCTEOSA-N 393.508 4.658 0 40 GJAB Cn1ncc(C2CC2)c1C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 585114290 FTFLRDWNWNETKX-UHFFFAOYSA-N 392.406 4.692 0 40 GJAB COc1ccc(CN(C)C)cc1NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 642217294 AZLQBNJMGSACRM-UHFFFAOYSA-N 379.504 4.788 0 40 GJAB O=C(N[C@@H](c1ccccc1)C(F)F)N1CCC2(C=Cc3ccccc3O2)CC1 667139476 KNQPOARNHXMIMC-IBGZPJMESA-N 384.426 4.643 0 40 GJAB Cc1ccc(C)c(C2=NO[C@H](C(=O)N[C@H]3CCC(C)(C)c4ccccc43)C2)c1 1535582614 XRNGZTMGUCVKAN-UNMCSNQZSA-N 376.500 4.725 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cc(F)ccc2F)N1c1ccc(F)cc1 1615161491 YYIKOALMJGVMOR-PMACEKPBSA-N 388.433 4.766 0 40 GJAB CC1(C)[C@@H]2CC[C@@]1(C)CN(C[C@H](O)Cn1c3ccccc3c3ccccc31)C2 626724 DNUFRGCCNUMJNP-WYEJZRMESA-N 376.544 4.914 0 40 GJAB Cc1c(C)c(CSc2nccn2C)c(C)c(C)c1CSc1nccn1C 673272 BRAKDVJCMWEMMK-UHFFFAOYSA-N 386.590 4.972 0 40 GJAB Cc1cccc(C(=O)Nc2cc(C(=O)Nc3cc(C)ccn3)ccc2Cl)c1 683224 UMNRKCUQOZQBKN-UHFFFAOYSA-N 379.847 4.856 0 40 GJAB CCn1c(COc2ccccc2OC)nnc1SCc1ccc(Cl)cc1 903354 HKZFFVSXUKRKQR-UHFFFAOYSA-N 389.908 4.831 0 40 GJAB CCOc1ccc(NC(=O)N2CCC[C@@H](c3nc4cc(C)c(C)cc4[nH]3)C2)cc1 1350237 OXCTZDXCUFBUAB-QGZVFWFLSA-N 392.503 4.990 0 40 GJAB CCOc1ccc(N2C(=O)S/C(=C\c3cn(C)c4ccccc34)C2=O)cc1 2420172 OZMSPZCSKMICCK-UNOMPAQXSA-N 378.453 4.818 0 40 GJAB COc1ccc([C@H](CCNS(=O)(=O)c2ccc(C)cc2)CCC(C)C)cc1 2446710 PAOQGPOHZGHDOL-FQEVSTJZSA-N 389.561 4.892 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)ccc1Cl 2448058 AOJXJQCEZQFXHP-UHFFFAOYSA-N 393.830 4.869 0 40 GJAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2ccccc2Cl)s1 2887508 LMEQOZWZJYYABP-UHFFFAOYSA-N 375.856 4.577 0 40 GJAB Cc1nnc(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)s1 3332673 TVJHAEFSNKPDRC-HTQZYQBOSA-N 376.334 4.511 0 40 GJAB COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Cl)CSC3)cc1 4077199 XXXLCJWWGZEADA-UHFFFAOYSA-N 385.876 4.533 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 4262961 WJXKAOLUUZZWTE-KRWDZBQOSA-N 390.270 4.568 0 40 GJAB CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 4597469 HHZXLLAYHLGEBG-HXUWFJFHSA-N 394.906 4.847 0 40 GJAB O=C(COc1ccc2oc3c(c2c1)CCCC3)NCCc1c[nH]c2ccccc12 5274900 NKDIEMIXKGAOSX-UHFFFAOYSA-N 388.467 4.531 0 40 GJAB O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 6083177 UUBIWTRDKKNPDD-UHFFFAOYSA-N 379.363 4.947 0 40 GJAB Cc1nc(SCC(=O)Nc2cc(C)on2)c2cc(-c3ccccc3)sc2n1 6114356 ZQIQYOQJOIRAFL-UHFFFAOYSA-N 396.497 4.694 0 40 GJAB Cc1cccc(OCc2nnc(SCc3nc4ccccc4nc3C)o2)c1 6600169 HWPDYIOUTSWQKS-UHFFFAOYSA-N 378.457 4.501 0 40 GJAB CCOC(=O)c1ccc(COC(=O)c2ccccc2Nc2ccccc2)cc1 6630376 LYYCJXWKBROSHB-UHFFFAOYSA-N 375.424 4.964 0 40 GJAB Cc1ccc2cccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)c2n1 7388559 YHRRQJMYZFBQAK-UHFFFAOYSA-N 390.295 4.977 0 40 GJAB CCCCc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 7595835 LSFIIMJZXJUBFC-UHFFFAOYSA-N 395.890 4.545 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 7649267 BALGWPFWYJMHBG-UHFFFAOYSA-N 380.488 4.790 0 40 GJAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 7881947 WISVPLIPNQSSMC-CYBMUJFWSA-N 377.271 4.547 0 40 GJAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2c1C 8936204 CJOJRRKOUDONDG-FQEVSTJZSA-N 376.456 4.533 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(C(=O)N[C@H](C)c3ccccc3)cs2)cc1 9317785 SSOOHTJRBRHRJI-CQSZACIVSA-N 380.473 4.587 0 40 GJAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC[C@@H]1c1nc2ccccc2s1 9516481 ZQNGKKPOKOCJGI-WMLDXEAASA-N 398.915 4.865 0 40 GJAB COc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 9660107 DORFJNANHLCSBQ-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB biogenic Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1Cl 10507807 GOXHLGXRPVHFJH-UHFFFAOYSA-N 378.863 4.724 0 40 GJAB COc1cc2c(cc1NC(=O)CCc1c(C)nn(C)c1C)oc1ccccc12 10511733 DPZYOWNFBKAVQX-UHFFFAOYSA-N 377.444 4.516 0 40 GJAB COc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)c1 12918538 XHKUXWSEFVNEKD-UHFFFAOYSA-N 379.441 4.829 0 40 GJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cccc(C)c3)cc2)cc1 13001576 GHSIOVGSJZLZID-UHFFFAOYSA-N 381.497 4.708 0 40 GJAB CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 13684599 ONAGKUDKDHFBFG-UHFFFAOYSA-N 388.467 4.656 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nncn2C2CC2)c2ccccc2)c1 14086001 RUKYIHVYAWRKSF-LJQANCHMSA-N 378.501 4.702 0 40 GJAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O 14095090 PKMMEPAEMBMWKY-LJQANCHMSA-N 391.515 4.621 0 40 GJAB C[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 14186560 LRRZPRCFYAOCRK-TVGZPFHWSA-N 377.532 4.526 0 40 GJAB NC(=O)c1ccc(Oc2ncnc3cc(-c4ccc(Cl)cc4)sc23)cc1 14253308 BIVHYBAFZYQLHW-UHFFFAOYSA-N 381.844 4.903 0 40 GJAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 16181868 GWRROWMXAVJSFV-UHFFFAOYSA-N 379.387 4.619 0 40 GJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1 17077442 ZIIXHWITCLKCBK-UHFFFAOYSA-N 378.497 4.970 0 40 GJAB CC(=O)N1CCc2sccc2[C@H]1c1ccc(NCc2ccc(F)cc2)cc1 19018121 NCNTWFVQYNAVAS-JOCHJYFZSA-N 380.488 4.993 0 40 GJAB COc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(OC)c1C 23499830 MGNXDTGZMCLRNL-UHFFFAOYSA-N 396.512 4.642 0 40 GJAB O=C(CCSc1nccc(C(F)(F)F)n1)Nc1c(Cl)cccc1Cl 24988307 FHSUWBWUQFNWQB-UHFFFAOYSA-N 396.221 4.923 0 40 GJAB Cc1oc(-c2cccs2)nc1CC(=O)NCC1(c2ccccc2)CCCC1 26653824 XFIOFGREONGCOV-UHFFFAOYSA-N 380.513 4.882 0 40 GJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1OCc1ccccc1 30851947 FCNBDKMUJPCQOJ-UHFFFAOYSA-N 386.451 4.645 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1C 36648659 VHSHRQPAOSBUER-HXUWFJFHSA-N 399.494 4.877 0 40 GJAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3ccccc3F)N1CC2 36735063 YQDRBIASGDVUCF-ZEQRLZLVSA-N 390.458 4.915 0 40 GJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872515 VOKDAARIINHWCK-IBGZPJMESA-N 388.511 4.519 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(-n2ccnc2C)cc1 44947414 OSIVYJVZMJINHT-DEOSSOPVSA-N 399.494 4.808 0 40 GJAB Clc1cccc2c1CC[C@H]2NCc1cc(Br)c2c(c1)OCO2 62258208 PNSGZPTZCZKWSY-OAHLLOKOSA-N 380.669 4.608 0 40 GJAB Cc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)c1C 64471752 PNVAGSBLQXRZAJ-UHFFFAOYSA-N 377.513 4.784 0 40 GJAB Cc1ccc(N(C(=O)c2ccc(NC(=O)C3CC3)cc2)C2CCCCC2)nc1 84191525 RXCDHXPYUJPWPE-UHFFFAOYSA-N 377.488 4.718 0 40 GJAB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/Nc1ccc(C(F)(F)F)cc1 107814897 CSEJFQVXLIWFGB-HZHRSRAPSA-N 380.757 4.549 0 40 GJAB CCOCC(=O)Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1 206892595 MEHGZFONRKWFDJ-UHFFFAOYSA-N 389.427 4.807 0 40 GJAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 222667301 BHYIGVMESJRISZ-UHFFFAOYSA-N 384.951 4.690 0 40 GJAB CC(C)(C)c1ccc(OCCNC(=O)COc2cccc3ccccc23)cc1 224258336 NUDRLVALAUGBHK-UHFFFAOYSA-N 377.484 4.711 0 40 GJAB CC[C@H](NC(=O)C1CCN(Cc2ccccc2C)CC1)c1ccc(OC)c(C)c1 224550375 WPGFEKPYUXYFEW-QHCPKHFHSA-N 394.559 4.792 0 40 GJAB CCCSc1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)s1 224582708 DFROXQBLOOTEMR-UHFFFAOYSA-N 385.514 4.872 0 40 GJAB COc1ccc(S(=O)(=O)N(C)c2ccc(F)c(Cl)c2)c(Cl)c1Cl 224625122 NOMMKRZGAKGIFE-UHFFFAOYSA-N 398.670 4.620 0 40 GJAB COc1ccc(CC(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1C 225318715 SDXTVDHJDSZMBX-FQEVSTJZSA-N 379.500 4.889 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)c1 409100228 UPZSGLQDKPPIPT-UHFFFAOYSA-N 380.517 4.640 0 40 GJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]21)c1ccccc1 409370832 DTKWDYDQAMGVCI-NBJYBMASSA-N 375.855 4.735 0 40 GJAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)c(OC)c1 504646090 HHQJJPINVCIKAC-GPXOXTDOSA-N 395.543 4.881 0 40 GJAB biogenic O=C(Cc1cc2ccccc2c(O)n1)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 574614954 CYUSYXZEMQJEBP-QFBILLFUSA-N 394.902 4.979 0 40 GJAB COCCN(C(=O)c1cscc1C(F)(F)F)c1nc2ccccc2s1 585114274 KHVGZHPLDNCSKY-UHFFFAOYSA-N 386.420 4.670 0 40 GJAB Cc1nc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)c(C)s1 1615155217 IISVZFQZVVGAPA-ROUUACIJSA-N 387.524 4.561 0 40 GJAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Nc2ncccn2)cc1 1626560187 OBNPUMJUDLGIFD-UHFFFAOYSA-N 382.851 4.671 0 40 GJAB O=C(NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccccc1 681038 GSAJWCXFQZRTDJ-UHFFFAOYSA-N 391.427 4.761 0 40 GJAB COc1ccc2cc([C@H]3NC(=O)c4c(sc5c4CCCC5)N3)c(Cl)nc2c1 976428 VPYBYNLARYILPZ-SFHVURJKSA-N 399.903 4.691 0 40 GJAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCC[C@H](C)C1 1341142 ARXVHPMSOSCHPC-HNNXBMFYSA-N 394.519 4.521 0 40 GJAB O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)NCc1ccccc1 1342603 OUUAVCDXRDEGLQ-UHFFFAOYSA-N 399.519 4.629 0 40 GJAB Cc1nc(CS(=O)(=O)c2ccccc2)cc(Sc2ccc(Cl)cc2)n1 1392258 MULLMBBLCRPZTE-UHFFFAOYSA-N 390.917 4.564 0 40 GJAB Cc1cccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)c1 1509625 BOYSGTNUJJKBNL-QFIPXVFZSA-N 390.870 4.832 0 40 GJAB O=C(Nc1ccc2ccccc2c1)/C(=C\c1ccco1)NC(=O)c1ccccc1 2275587 NNUHJQVNGUAZLF-CJLVFECKSA-N 382.419 4.842 0 40 GJAB CCOC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 2780577 CUXNDQFGQMBBKY-HOCLYGCPSA-N 381.398 4.844 0 40 GJAB CCCOc1ccc(-c2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)cc1 4070254 BSFPCAPZAPTDCN-UHFFFAOYSA-N 398.484 4.868 0 40 GJAB CCSc1nc2ccccc2n1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 4264146 LBEVAJFFERYVSL-ZHACJKMWSA-N 398.484 4.528 0 40 GJAB CC1(C)CC(=O)c2sc(NC(=O)CSc3ccc(Cl)cc3)nc2C1 4496557 PMMZFAHAMJYJHZ-UHFFFAOYSA-N 380.922 4.682 0 40 GJAB CCN(CC)CCN(C(=O)c1cccc(C)c1)c1nc2c(F)cccc2s1 5122007 MFOBMUCGAJOKEM-UHFFFAOYSA-N 385.508 4.732 0 40 GJAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@](C)([C@H](C)NC(C)=O)C=C3CC[C@@H]12 5160268 VHIFCGQMUHNGPP-UMQDQSTDSA-N 375.553 4.633 0 40 GJAB CCCc1oc2cc(O)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCCO2 5904201 GXZPCNJHWXCBEP-UHFFFAOYSA-N 380.440 4.842 0 40 GJAB biogenic O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCCc2ccccc21 5933215 AVKZOKAYRVXSAY-UHFFFAOYSA-N 375.799 4.500 0 40 GJAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 6479880 MFIOGGQKEWYFSR-UHFFFAOYSA-N 379.481 4.530 0 40 GJAB CC1CCN(C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)CC1 6542797 ZBWRBGXKBSGAJB-UHFFFAOYSA-N 399.994 4.667 0 40 GJAB CC(=O)Nc1ccc(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 6559866 GKRILUISTOYVOV-NSHDSACASA-N 397.327 4.921 0 40 GJAB COc1ccc(-c2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)cc1 6721573 BRMKZWHNHVPWTK-UHFFFAOYSA-N 389.455 4.706 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1Cc1ccccc1 7128424 CHQCWNHXWAKDTF-QHCPKHFHSA-N 380.451 4.639 0 40 GJAB Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)c1 7929139 AQJNYXQQZSPPJO-JOCHJYFZSA-N 399.490 4.853 0 40 GJAB Cc1ccc(-n2ccnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 8134735 ZXKXLPSIFGSZFJ-HXUWFJFHSA-N 377.513 4.601 0 40 GJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 8273697 NIWVTKSZDBGBIO-UHFFFAOYSA-N 398.304 4.643 0 40 GJAB COc1cc(C)c(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1OC 8718996 BWSRTHHJCLPWFV-UHFFFAOYSA-N 396.468 4.578 0 40 GJAB CCc1ccc(CC)c(C(=O)CSc2nnc(-c3ccccc3OC)o2)c1 8754071 PEXQEIANZLIDEG-UHFFFAOYSA-N 382.485 4.845 0 40 GJAB CC[C@@H](C)NC(=O)Cc1csc(SCc2ccc(Br)cc2)n1 8854522 HUODNWAFSSIFHS-LLVKDONJSA-N 399.379 4.655 0 40 GJAB CC(=O)Nc1ccc(F)c(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)c1 12874749 ZGQIGUOVVOQEJC-UHFFFAOYSA-N 398.463 4.535 0 40 GJAB Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2)c1 13714403 BHWSGARGMXBVQL-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cc1ccccc1OCCN(C)CCC(=O)Nc1c(Cl)cccc1Cl 14079500 RQZZRRFIXBKOOK-UHFFFAOYSA-N 381.303 4.641 0 40 GJAB COc1ccc(-c2nc(CC(=O)N[C@H](C)c3cc(C)ccc3C)cs2)cc1 14189597 SBXBZUCTSXPHFV-MRXNPFEDSA-N 380.513 4.855 0 40 GJAB O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(OCc2cscn2)c1 16708013 JIKRYYLDPZHMFR-UHFFFAOYSA-N 379.485 4.575 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2ccc(CO)o2)cc1 20144237 LJTDYDYGFAEHDM-UHFFFAOYSA-N 392.238 4.763 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1)c1ccccc1 20509691 OEODLKJIVNYVCD-IBGZPJMESA-N 389.842 4.909 0 40 GJAB CCOc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@@H](C)C3)cc1 20672185 GXOWCBLJPMKULC-AWEZNQCLSA-N 379.435 4.919 0 40 GJAB COc1cccc(Nc2ncccc2C(=O)Nc2cccc(Br)c2)c1 22072607 HRXGRLDATLUWOF-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB CCS(=O)(=O)c1ccc(NC(=O)c2oc3c(ccc4ccccc43)c2C)cc1 23113759 XJHLVNAYZQXHMB-UHFFFAOYSA-N 393.464 4.940 0 40 GJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(C)(C)C)no2)c1C 23329774 XOEYXJQWVCTZEI-UHFFFAOYSA-N 384.505 4.505 0 40 GJAB CN(Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1)Cc1ccc(Cl)s1 24601576 POEQASUKSGBHJX-UHFFFAOYSA-N 391.905 4.592 0 40 GJAB Cn1ccnc1-c1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccccc1 24758261 UYAKZMDEMICAPN-OUKQBFOZSA-N 386.480 4.863 0 40 GJAB COc1ccc2nc(C)c(C(=O)Nc3ccc(-c4nccs4)cc3)cc2c1 25804293 OYSWFOROAVCRAB-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB Cc1cccc(-c2nc(CC(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)cs2)c1 27851393 MJXHBFBWMMUJSV-CABCVRRESA-N 382.451 4.898 0 40 GJAB O=C1CN(C(=O)c2ccccc2F)[C@@H](c2ccccc2)c2ccc(Cl)cc2N1 28047956 VCIBBUDGZFVQIX-NRFANRHFSA-N 394.833 4.663 0 40 GJAB COc1ccc([C@@H]2CC(O)=Nc3nc(N)sc32)cc1OCc1ccc(F)cc1 32093517 HLRKQSMUJPOEDZ-AWEZNQCLSA-N 399.447 4.576 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820958 DXOCDBGWDZAYRQ-PMBBHOBUSA-N 390.564 4.686 0 40 GJAB COc1ccc(OC)c(Nc2c(-c3cccc(O)c3)nc3ccc(C)cn23)c1 35616557 BMFUTZBYIQCMQG-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB O=C(Nc1nc(-c2ccco2)cs1)c1ccc2c(c1)ncn2-c1ccccc1 38488569 FNNMQAGVDKQCEZ-UHFFFAOYSA-N 386.436 4.994 0 40 GJAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 38489828 MSCCVRCIRGDUKP-UHFFFAOYSA-N 391.393 4.514 0 40 GJAB CCOc1ccc(CN(C)C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 40104462 LXCZQBKNSKVHQH-UHFFFAOYSA-N 393.443 4.595 0 40 GJAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 40141083 AUWXDCMKFORHNW-KGLIPLIRSA-N 382.426 4.666 0 40 GJAB CCCN(Cc1cc(=O)[nH]c2c(OC)cccc12)C(=O)Nc1ccccc1Cl 41089904 KIGOZQLDHXDYDE-UHFFFAOYSA-N 399.878 4.634 0 40 GJAB CCOc1ccc2cc(S(=O)(=O)Oc3cc(C)nc4ccccc34)ccc2c1 41097187 OWBJEXSQPOIJGQ-UHFFFAOYSA-N 393.464 4.863 0 40 GJAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cc2c(s1)-c1ccccc1CC2 43840868 BQDHWIIPZUUEPX-UHFFFAOYSA-N 390.464 4.723 0 40 GJAB Cc1c(NC(=O)N(C)Cc2c(F)cccc2Cl)cccc1N1CCCC1=O 47844965 SOMJMYPRKQPEER-UHFFFAOYSA-N 389.858 4.578 0 40 GJAB COc1ccc(-c2csc3ncnc(NCc4ccc(OC)c(O)c4)c23)cc1 52212369 UYYOWLZIDHXHNF-UHFFFAOYSA-N 393.468 4.693 0 40 GJAB CC(=O)Nc1nc2ccc(NC(=O)CCSc3ccc(F)cc3)cc2s1 59266001 NWTJGEOMDJODKR-UHFFFAOYSA-N 389.477 4.515 0 40 GJAB CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc(Cl)c1O 60479314 RKSACSHYXLUAKN-UHFFFAOYSA-N 390.892 4.678 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)N(C)[C@H](C)c3cc(F)ccc3F)cc2)n1 61139492 VQLXSDWKDJNEMG-MRXNPFEDSA-N 383.442 4.660 0 40 GJAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2F)n1 67296764 MYIYRUCHCQRMEH-ROMGYVFFSA-N 391.377 4.899 0 40 GJAB C[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 67646838 ATLYSKPQAWLYGH-CQSZACIVSA-N 397.475 4.903 0 40 GJAB C[C@H](c1ncc(C(C)(C)C)o1)N1CCO[C@H](c2cccc(Br)c2)C1 72310607 WOSHGJDZGIGEAO-CJNGLKHVSA-N 393.325 4.869 0 40 GJAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccc(Br)s2)C1 72403500 JTDOHAQJWXFWOG-JTQLQIEISA-N 394.319 4.941 0 40 GJAB CSc1ccccc1C(=O)NC[C@@](C)(O)c1ccc(-c2ccccc2)cc1 77184106 HLSKOXKYSDOMHR-HSZRJFAPSA-N 377.509 4.713 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1 80340410 OSEUUFUZTSJOOS-UHFFFAOYSA-N 392.846 4.725 0 40 GJAB COc1cc2c(cc1NC(=O)NCCc1ccc(O)cc1)oc1ccccc12 83925482 CVORPRCHAMOUED-UHFFFAOYSA-N 376.412 4.664 0 40 GJAB COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 83980053 IKIGXECOJGUXQF-OAHLLOKOSA-N 381.369 4.700 0 40 GJAB CC(C)(CC(=O)Nc1ccc(Oc2ccnc3ccccc23)c(F)c1)C(=O)O 84325850 CLSQIYUXVCFDAC-UHFFFAOYSA-N 382.391 4.606 0 40 GJAB Cc1cccc(NC(=O)C(=O)N[C@H](CC(F)(F)F)c2ccc(Cl)cc2)c1C 89686597 SAMULRMSPFGXRG-MRXNPFEDSA-N 398.812 4.705 0 40 GJAB O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1csc(-c2ccccc2F)n1 95465504 MCBJQQVSAPFTLM-OAHLLOKOSA-N 396.365 4.797 0 40 GJAB O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1Cl 97570269 MVWOVKHVBIJNPR-ZDUSSCGKSA-N 379.070 4.764 0 40 GJAB Cc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2Cl)C3)cc1 100425268 HZPRGEINJCDXIX-WOJBJXKFSA-N 382.935 4.964 0 40 GJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1[C@@H](C)CCC[C@@H]1C 108940679 UNNRRZKPNGRMTD-AVGNSLFASA-N 397.466 4.919 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219348658 HVZUMWSJOJVXEQ-MBSDFSHPSA-N 377.484 4.889 0 40 GJAB CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)s1 223674342 IUDAKXFFVWIILJ-AWEZNQCLSA-N 379.551 4.744 0 40 GJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCC1 224782778 BFTFUPYCNIWLQG-LJQANCHMSA-N 388.511 4.519 0 40 GJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cccc(C(F)(F)F)c1 224807548 VUMXRENZJZPICH-AWEZNQCLSA-N 377.406 4.668 0 40 GJAB Cc1ccccc1[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1 225505027 GENAXZKCWHHPLG-JOCHJYFZSA-N 390.508 4.842 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 225559031 QTNBYRSMYISOLC-NFBKMPQASA-N 394.559 4.650 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 225585734 MHOKOLUJOMYWQL-REWPJTCUSA-N 394.559 4.568 0 40 GJAB CCOc1ccc([C@@H](C)NC(=S)Nc2c(F)cccc2F)cc1OCC 225750662 DRQIHYZOYIGOKJ-GFCCVEGCSA-N 380.460 4.810 0 40 GJAB CCCO[C@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1)C1CC1 225858094 DAVZCHZLHZHWTP-QRQCRPRQSA-N 391.508 4.574 0 40 GJAB Cc1ncc(CN2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)s1 257255211 KGOCWIRHPYRWEC-OAQYLSRUSA-N 399.947 4.664 0 40 GJAB Cc1cc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)ccc1Cl 409176484 OUFXVZMINXODOJ-UHFFFAOYSA-N 397.814 4.516 0 40 GJAB O=C(Nc1ccnc(Oc2ccccc2Br)c1)N1CC[C@H]2C[C@H]2C1 666172271 XVXOJCLXCNQSGI-STQMWFEESA-N 388.265 4.510 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)CC[C@@H]2N1c1cccc(F)c1 1615159461 UYTKSSBDCPMGAA-GCJKJVERSA-N 392.518 4.763 0 40 GJAB CCc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc4c(c3c2)CCCC4)cc1 645543 YYGFISOISPVVBO-UHFFFAOYSA-N 397.496 4.616 0 40 GJAB Cc1cccc(NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1C 646279 ZMYOMHLSDQEMMH-QGZVFWFLSA-N 386.757 4.766 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)N(C(C)C)C(C)C)n3c2c1C 903187 ANEJVXUTANJXSV-UHFFFAOYSA-N 384.549 4.545 0 40 GJAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1OC 1259035 RYZNZEKFIFHLAV-FDDCHVKYSA-N 390.439 4.848 0 40 GJAB O=C(c1cccc(Cl)c1)N(c1nnc(-c2cccnc2)s1)C1CCCC1 1345616 NDYYKJYRVQOYNL-UHFFFAOYSA-N 384.892 4.843 0 40 GJAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Cc2ccccc2)cc1 1425263 XTDOROXYCFYESW-UHFFFAOYSA-N 397.521 4.635 0 40 GJAB O=Cc1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 1439696 XVDLROQWVDXFHZ-UHFFFAOYSA-N 388.030 4.742 0 40 GJAB Cc1ccc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 2282210 AKMPQHOBTRNOGQ-LTGZKZEYSA-N 394.499 4.946 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(COc2ccc(Cl)cc2)cc1 2616744 CWFDUMRHMDHFDO-UHFFFAOYSA-N 395.842 4.578 0 40 GJAB CCOCN(C(=O)CSc1nc2cc(C)ccc2[nH]1)c1c(C)cccc1CC 2666058 PJIPOHMCVUBEDB-UHFFFAOYSA-N 397.544 4.861 0 40 GJAB CCc1cccc2c(C(=O)[C@H](Sc3nncn3C)c3ccccc3)c[nH]c12 3372047 GWNOGOWDGLPVIQ-HXUWFJFHSA-N 376.485 4.575 0 40 GJAB CC(C)OC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C(C)(C)C)C3 4213741 QMSOAHLWRIEGBC-LBPRGKRZSA-N 378.563 4.886 0 40 GJAB Cc1ccc(C)c(SCCc2nn3c(Cc4ccc(F)cc4)nnc3s2)c1 4667786 VOCVQFYJWRQYHG-UHFFFAOYSA-N 398.532 4.867 0 40 GJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2F)n2c(nc3ccccc32)N1 4735580 CUXUJEXWGZBFBU-HXUWFJFHSA-N 379.435 4.808 0 40 GJAB CC(=O)c1cccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)c1 4771082 FXBQSIWLTOHRMX-UHFFFAOYSA-N 382.419 4.630 0 40 GJAB CC(C)CN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1cccc(Cl)c1 4795192 MUKXQONWWLPCOU-ZDUSSCGKSA-N 387.958 4.658 0 40 GJAB CC(=O)Nc1ccc(SCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 6559869 GKRILUISTOYVOV-LLVKDONJSA-N 397.327 4.921 0 40 GJAB Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(O)cc2)c2ccccc2)cc1Cl 6566600 ZQKIBSIMHCJQOG-HXUWFJFHSA-N 395.842 4.891 0 40 GJAB aggregator COc1ccccc1[C@H]1c2c(-c3ccc(F)cc3)n[nH]c2C(=O)N1c1ccccc1 6787009 ZYMBKTWILPWRIN-QHCPKHFHSA-N 399.425 4.974 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@@H]1c1cccs1 7362875 OJMORDKMELMKPD-GDBMZVCRSA-N 385.558 4.714 0 40 GJAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NCc4ccco4)cc3)c2O1 7454082 LWSMFWKIHAAICR-UHFFFAOYSA-N 377.440 4.502 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCCc2ccccc21 7779883 KVQZHMMWBNYIAT-UHFFFAOYSA-N 379.891 4.795 0 40 GJAB CN(Cc1ccsc1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 8327856 XNVUKCIGEXDEQI-UHFFFAOYSA-N 379.510 4.935 0 40 GJAB Cc1ccc(C(=O)c2cn(Cc3cc(C)ccc3C)c3nc(C)ccc3c2=O)cc1 8592521 XLBMJJDZGVWJKT-UHFFFAOYSA-N 396.490 4.909 0 40 GJAB C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1)c1ccc(-n2ccnc2)cc1 9466630 LROVKMODKZLXKZ-LJQANCHMSA-N 397.478 4.796 0 40 GJAB C[C@H](NC(=O)COc1ccc(-c2nnco2)cc1)c1ccc(-c2ccccc2)cc1 9884142 BSBYDQNCADDDRY-KRWDZBQOSA-N 399.450 4.660 0 40 GJAB COc1ccc2cc(CNC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc2c1 9940630 ANHPGFVATCGMEB-CQSZACIVSA-N 396.468 4.554 0 40 GJAB O=C(OCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1cccc(Cl)c1 10575158 SAFAVFBQEMDEAQ-UHFFFAOYSA-N 382.725 4.766 0 40 GJAB COc1ccc(OC)c(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 12770855 CGFCILGTDIYLGM-UHFFFAOYSA-N 386.300 4.883 0 40 GJAB Cc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1Cl 12930348 VEVFUBJEBLMEAG-UHFFFAOYSA-N 380.860 4.967 0 40 GJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 12982207 SSGJFHLYPPBOOR-YJBOKZPZSA-N 392.952 4.757 0 40 GJAB COc1cccc(NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)c1 13550835 GZDUAASQCNIRKM-SREMRHQCSA-N 398.462 4.661 0 40 GJAB CCOc1ccc(CNC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 13632396 ILVRDMCWMRRYAC-JJIBRWJFSA-N 387.479 4.951 0 40 GJAB O=S(=O)(NCCCc1ccccc1Cl)c1cc(Cl)ccc1Cl 13668331 YMOHCAIEFCWBGB-UHFFFAOYSA-N 378.708 4.558 0 40 GJAB CCCn1nnc(NCc2c(OCc3ccc(C)cc3)ccc3ccccc23)n1 15356951 ZWLDBEVDNQMWAP-UHFFFAOYSA-N 387.487 4.736 0 40 GJAB CCOc1ccc(C(=O)CCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 16489591 ZEODSIFDLXWTTR-UHFFFAOYSA-N 381.259 4.576 0 40 GJAB COc1ccc2c(c1)C=C(CN[C@H](Cc1ccsc1)c1nccs1)CO2 19562294 KBYMPRSIQACAHY-GOSISDBHSA-N 384.526 4.563 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(C)c1 22412216 KDVJCHZZDJYAJT-UHFFFAOYSA-N 395.484 4.748 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)c2cc3ccc(OC)cc3[nH]2)cc1 32760111 FYNJPGFFJZAIQP-JOCHJYFZSA-N 378.472 4.943 0 40 GJAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)s1 32899116 GHZFFRFNVBCREF-ZDUSSCGKSA-N 386.498 4.805 0 40 GJAB Cc1c(C(=O)Nc2cccc(Cl)c2)cnc2c(-c3ccc(F)cc3)cnn12 36356937 HEMQNVCMWFSAIF-UHFFFAOYSA-N 380.810 4.750 0 40 GJAB COc1ccc(NC(=O)c2csc(Nc3cccc(Cl)c3)n2)cc1OC 36704625 KRHNWYTWLVFBJQ-UHFFFAOYSA-N 389.864 4.810 0 40 GJAB COc1ccc(-c2csc(C(=O)n3nc(C)cc3C)c2-n2cccc2)cc1 38654834 LVYQFXPQLXOGQM-UHFFFAOYSA-N 377.469 4.716 0 40 GJAB CC(C)Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2ccccc21 39556394 SYVHGRUIYWEPFZ-UNOMPAQXSA-N 375.497 4.560 0 40 GJAB CN(Cn1nc(-c2ccccc2)oc1=S)[C@H](c1ccccc1)c1ccccn1 48275243 FJCYZZJDOWEQRR-HXUWFJFHSA-N 388.496 4.946 0 40 GJAB O=C1COc2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)s3)cc2N1 51325996 NQJUMQAJAYXOFL-UHFFFAOYSA-N 384.844 4.652 0 40 GJAB CC(C)(C)c1ncc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)s1 60791671 AJTXNOQIPZKBNT-GOSISDBHSA-N 378.501 4.602 0 40 GJAB Cc1noc(C)c1CN(C)CCCCCCCCN(C)Cc1c(C)noc1C 72309102 HIQDXMIGEWUOGY-UHFFFAOYSA-N 390.572 4.801 0 40 GJAB COc1ccc(CN2CCC[C@@H](c3cccc(-c4cccc(CO)c4)n3)C2)cc1 72348598 NHFOECKMRASVEC-JOCHJYFZSA-N 388.511 4.629 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72357985 KPAROJXLLWZHJL-HSZRJFAPSA-N 392.449 4.857 0 40 GJAB CC[C@@H](C(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 77200322 RYEIPTWOUQBGAZ-PCCBWWKXSA-N 398.478 4.995 0 40 GJAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1cccc(C(F)(F)F)c1 90613616 DZLZCNCPJPIYQC-MRXNPFEDSA-N 397.443 4.840 0 40 GJAB COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 211578917 JDXBZZFHTAKUTJ-VOTSOKGWSA-N 398.640 4.938 0 40 GJAB Cc1ccc(C)c(OCC(=O)NCCSCc2c(F)cccc2Cl)c1 218949027 ZTHWBCXCGOKDEX-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 222971409 RBVCJJPIGGUCNE-PMACEKPBSA-N 397.515 4.888 0 40 GJAB COc1ccc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc2c1 224422324 CDGXHSCPWSNPRY-UHFFFAOYSA-N 382.268 4.956 0 40 GJAB Cc1ccc2[nH]c(-c3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)nc2c1 225263532 PJPYCVWDCSTCFS-UHFFFAOYSA-N 396.494 4.501 0 40 GJAB Cc1ccc([C@H](NC(=S)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 225509285 UUCWRUASQRGKJK-OAQYLSRUSA-N 376.481 4.800 0 40 GJAB CCOC(=O)c1cccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)c1C 225704474 OPGPWKQHSQNROG-FQEVSTJZSA-N 398.528 4.544 0 40 GJAB O=C(c1snnc1-c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 225771003 UBPMGTJJRBDYSG-UHFFFAOYSA-N 397.931 4.953 0 40 GJAB Cc1cc(-c2ccc(C(=O)Nc3cc(N)ccc3F)o2)ccc1Br 226764111 GVRPIKULRUQTJG-UHFFFAOYSA-N 389.224 4.991 0 40 GJAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC5(CC[C@]4(C)[C@@H]3CC[C@@]12C)OCCO5 253595626 GSSIBIORSPCRIO-WPAMHUCSSA-N 376.537 4.704 0 40 GJAB Cc1nccc(OC2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)n1 585147005 JXIPSMOXDLHRMR-UHFFFAOYSA-N 388.471 4.587 0 40 GJAB FC(F)(F)Oc1cc(Br)ccc1NCc1cnc(C2CC2)o1 628250662 ZZCDVRDABUYRNU-UHFFFAOYSA-N 377.160 4.825 0 40 GJAB C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CC[C@@H](Nc3ccccn3)CC2)C1 1544753091 ZOUNOJLIETYYOF-ZCLUNYJNSA-N 381.495 4.801 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2cccc(O)c2)cc1OCc1ccccc1 667561 FFXCEZKFDCWYRI-UHFFFAOYSA-N 383.831 4.886 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)c3ccccc3n2)cc1 672864 PZKOKFALKGNSMF-UHFFFAOYSA-N 381.435 4.561 0 40 GJAB CCOc1ccc2cc(-c3nnc(Nc4ccc(F)cc4)s3)c(=O)oc2c1 856292 SLIFFJRKFGIKSN-UHFFFAOYSA-N 383.404 4.593 0 40 GJAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc2ncccc2c1 975382 QVFORUMLDRSCDE-HXUWFJFHSA-N 394.272 4.695 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc3ccccc23)cc1 976477 JFGMXEQMSLSVFF-UHFFFAOYSA-N 388.496 4.768 0 40 GJAB CCOC(=O)c1c(C)sc(Sc2ccc(Cl)cc2N)c1OC(C)=O 978738 SRSSEZYDVWPURQ-UHFFFAOYSA-N 385.894 4.545 0 40 GJAB COC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 1068286 WXFBJEAXHYLCHX-UHFFFAOYSA-N 384.284 4.973 0 40 GJAB COc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 1369033 SGSXADHCDGJSNU-SFTDATJTSA-N 397.494 4.542 0 40 GJAB CCCSc1nc2sc3c(c2c2nnc(SC)n12)C[C@@](C)(CC)OC3 2264001 WFDQRXOLYBPKCQ-QGZVFWFLSA-N 394.591 4.804 0 40 GJAB CCN(CC)C(=O)Oc1ccc2c(=O)c(Oc3cccc(OC)c3)c(C)oc2c1 2408002 ANOASAWUNQFQGA-UHFFFAOYSA-N 397.427 4.743 0 40 GJAB biogenic Cc1ccc(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1F 3266311 OGINTEQRAQAWKT-UHFFFAOYSA-N 390.625 4.890 0 40 GJAB COCCNc1nnc(SCc2csc(-c3ccc(Cl)cc3)n2)s1 3332695 OEEIEQBCIZBDDC-UHFFFAOYSA-N 398.966 4.666 0 40 GJAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1ccc(Cl)cc1 3340251 OXNXRVJQYAQHAW-UHFFFAOYSA-N 382.634 4.608 0 40 GJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1ccc2ccccc2c1 3525778 NTQBFZMPZAGLPY-UHFFFAOYSA-N 396.446 4.672 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)c(C)c1 4479440 JFYXXZPUNZAUTQ-UHFFFAOYSA-N 397.434 4.837 0 40 GJAB CCOc1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1 4882383 CYLXYPXMRXCLCA-FRIKZZABSA-N 393.531 4.793 0 40 GJAB COc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2OC)cc1 5065611 QNDSSJPPDOTEEJ-UHFFFAOYSA-N 396.450 4.712 0 40 GJAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)c1 5185762 VBYFJVGKRCTMDW-PZUNEJSGSA-N 395.543 4.881 0 40 GJAB O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1F 5530813 BBOGQGBBYCFDFS-UHFFFAOYSA-N 376.598 4.581 0 40 GJAB CCOc1ccccc1OCC(=O)Nc1nc(-c2cc(C)ccc2C)cs1 6237617 QAHADEFJQCHEPD-UHFFFAOYSA-N 382.485 4.843 0 40 GJAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(-n3ccnc3)cc2)cc1 7128375 CHVAMZZYDWJYCX-QHCPKHFHSA-N 396.450 4.652 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1nccnc1-c1nc2ccccc2s1 7921446 KIBVTQRSXGZXKR-UHFFFAOYSA-N 380.860 4.967 0 40 GJAB CC(C)[C@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc2c(c1)OCCCO2 8394877 BZWZIJQTFIPTBT-KRWDZBQOSA-N 395.286 4.677 0 40 GJAB Cc1c(C)n(CC(C)C)c2ncn3nc(-c4ccc5ccccc5c4O)nc3c12 9304701 PTUZSGXXMHSZST-UHFFFAOYSA-N 385.471 4.878 0 40 GJAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 10253666 FNJRBXFVQHALFB-UHFFFAOYSA-N 395.480 4.913 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 12137920 BOYQEXSKOWOHRM-GOSISDBHSA-N 389.879 4.937 0 40 GJAB CCN(c1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1)C(C)C 12553991 DSPHYDXJJHVCDM-QHCPKHFHSA-N 391.515 4.824 0 40 GJAB C[C@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc12)c1cccc(Cl)c1 12784410 KIEWVGOSZZTDLW-HNNXBMFYSA-N 395.890 4.834 0 40 GJAB Cc1csc(N(C(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)n1 12938054 AWBQHUYYKFYPIG-UHFFFAOYSA-N 377.469 4.557 0 40 GJAB O=C(c1cccc(Br)c1)N1CCC(CCc2ccc(O)cc2)CC1 12950343 FDKLVRCHJQXCRR-UHFFFAOYSA-N 388.305 4.640 0 40 GJAB COc1cc(C(=O)N2CCCc3ccccc32)ccc1OCc1csc(C)n1 12953415 FNPDJPWNZSOKDG-UHFFFAOYSA-N 394.496 4.632 0 40 GJAB Cc1ccc(C(=O)OC[C@H]2CCCN(C(=O)c3ccc(C)c(C)c3)C2)cc1C 12973430 IUYKQDOGQMAUDW-FQEVSTJZSA-N 379.500 4.629 0 40 GJAB Cc1ccc(-c2cn(CC(=O)c3ccc(Cl)c(Cl)c3)c3[n+]2CCC3)cc1 13758225 HSLYHJQLRIUFHO-UHFFFAOYSA-N 386.302 4.887 0 40 GJAB COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)ccc1O 16042907 ZPRXFOYSQXJVFF-NKKJXINNSA-N 381.516 4.578 0 40 GJAB biogenic CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Br)cc1 16751161 LIGIZENDWPXABI-QGZVFWFLSA-N 398.256 4.511 0 40 GJAB Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)C3CCCCC3)cc2)n1 17012995 OAQDTNYOPVXIQC-UHFFFAOYSA-N 379.508 4.648 0 40 GJAB CCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 17081347 CXHPPSZXKJNOJF-UHFFFAOYSA-N 397.544 4.850 0 40 GJAB Cc1ccc(-c2ccsc2C(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1 17370376 IINBEYHGAVUNNW-UHFFFAOYSA-N 389.473 4.518 0 40 GJAB CCC[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1 18135089 SSGIUOCDLYCAIQ-QGZVFWFLSA-N 390.512 4.817 0 40 GJAB CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)noc2n1 19462815 IEQZWMFUQHHXDS-YPMHNXCESA-N 395.425 4.727 0 40 GJAB COc1ccc(-c2csc3nc(CNc4cccc(C)c4)[nH]c(=O)c23)cc1 19926595 VUWVNFILIGFJQL-UHFFFAOYSA-N 377.469 4.581 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1Cl 20456995 XUYPKXUMQUDQPS-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1cccc(F)c1 22072328 FOMNINZIMCTAQQ-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB CCCCc1ccc(C(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 24773751 VOGQIMXLOYYDSQ-JOCHJYFZSA-N 392.543 4.747 0 40 GJAB Cc1ccc(CSCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1 25011494 LGGXGNAGNXDUOV-UHFFFAOYSA-N 389.590 4.555 0 40 GJAB COc1cc(Br)c(CN[C@H]2CCCc3ccccc32)cc1OC 25259684 WAMGSOYNHBWRDX-KRWDZBQOSA-N 376.294 4.634 0 40 GJAB CCCCCOc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)c2ccccc12 28251897 DRPFDQLLAOIEBS-KRWDZBQOSA-N 375.534 4.829 0 40 GJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(Cl)cc1F)CC(O)=N2 36356979 QRAGDDSXBGLQNA-LLVKDONJSA-N 392.221 4.540 0 40 GJAB Cc1ccc(C)c(CSc2nc(CC(=O)Nc3ncc(C)s3)cs2)c1 38581048 JOOGOTVCMYBMLM-UHFFFAOYSA-N 389.571 4.998 0 40 GJAB Cc1nc(S)sc1CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 40072297 CQQNDGRZTCXSFA-UHFFFAOYSA-N 388.489 4.640 0 40 GJAB O=C(Nc1ccccc1N1CCCC1=O)N[C@H](c1cccs1)C1CCCC1 40104184 KFZYUMGKKJFLOZ-FQEVSTJZSA-N 383.517 4.928 0 40 GJAB CC(C)(C)C[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1ccc(F)cc1 40122590 WEIRFUYXJUSBGP-MRXNPFEDSA-N 375.488 4.733 0 40 GJAB O=C(Nc1cccc(Br)c1)c1cnn(Cc2ccccc2)c1C1CC1 40128124 PUBUREGUFRBOQU-UHFFFAOYSA-N 396.288 4.824 0 40 GJAB Cc1oc2nc(S[C@H]3CCCCC3=O)nc(NC(=O)c3ccccc3)c2c1C 45537042 LQLWVXCPJILYRJ-INIZCTEOSA-N 395.484 4.696 0 40 GJAB Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1 54114361 RZMUKHRIQCNNCT-VWLOTQADSA-N 382.511 4.783 0 40 GJAB CC(C)N1CN(c2nc3ccccc3s2)CN(c2nc3ccccc3s2)C1 54147356 QTMBXVNWWLETPC-UHFFFAOYSA-N 395.557 4.816 0 40 GJAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)[nH]n2)cc1 57477067 XSTLDXITVZQZPT-UHFFFAOYSA-N 379.460 4.689 0 40 GJAB O=C(Nc1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1)c1ccco1 58156902 LMFYSRQOAJNTRO-NRFANRHFSA-N 386.451 4.824 0 40 GJAB COc1cc(C(=O)Nc2ccc3ccccc3n2)ccc1OCc1cscn1 58434631 PKAOTISGJYHRGN-UHFFFAOYSA-N 391.452 4.531 0 40 GJAB CC(C)(C)C(=O)N1CCC(CCCC2CCN(C(=O)C(C)(C)C)CC2)CC1 59474670 AUIVQCICRZBDJJ-UHFFFAOYSA-N 378.601 4.726 0 40 GJAB C[C@H]1CN(c2ccccc2NC(=O)NC2(c3ccccc3)CCC2)C[C@@H](C)O1 69370111 CGORSCJPOGANKN-HDICACEKSA-N 379.504 4.501 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccnc3ncc(-c4ccc(F)cc4)n23)C1 72360642 LFXJKDSTPUQMNA-MRXNPFEDSA-N 396.466 4.650 0 40 GJAB CC(C)[C@H]1CCCN1c1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 84456598 RQFPZLQUAQLTLT-MRXNPFEDSA-N 379.533 4.652 0 40 GJAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3cc[nH]c(=S)n3)cc2)n1 91695781 NBCQGDFODQNZOQ-UHFFFAOYSA-N 376.407 4.953 0 40 GJAB Cc1ccc(NC(=O)C[C@H]2OCCc3ccsc32)c(-c2nc(C3CC3)no2)c1 95405798 DDERYNFJZZTLKZ-QGZVFWFLSA-N 395.484 4.627 0 40 GJAB Cc1cc(C)c(N/C=C2/C(=O)N(c3ccccn3)C(=O)c3ccccc32)c(C)c1 103005051 NRFOKGNLNNAIPY-XSFVSMFZSA-N 383.451 4.647 0 40 GJAB O=C(COc1ccc2ccccc2c1)NCCSCc1ccccc1Cl 222831828 GHAVEXYYCGBODK-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(CC)cc1 222886521 VWAQIDUEIUOXMC-OAQYLSRUSA-N 382.504 4.575 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 222976148 HVXDPQBPXCUXND-RTWAWAEBSA-N 394.519 4.784 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2cc3cc4ccccc4nc3s2)cc1OC 223135060 UYTSLMURBIUFBG-ZDUSSCGKSA-N 392.480 4.958 0 40 GJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 225035381 RJRUBSPTRUTSPN-SFTDATJTSA-N 394.559 4.568 0 40 GJAB COc1ccccc1OC[C@H](C)NC(=O)CCc1ccc(Cl)cc1Cl 225380181 XRVZBRRBRONSOZ-ZDUSSCGKSA-N 382.287 4.518 0 40 GJAB O=C(NCc1ccnc(-c2ccco2)c1)c1cccc(OCc2ccccc2)c1 225655793 PNAJPENPHOLILW-UHFFFAOYSA-N 384.435 4.851 0 40 GJAB COc1ccc(-c2nnsc2C(=O)Nc2cccc(Cl)c2Cl)cc1 225762231 RDKYJDMQVFOWIX-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C)n1 225867095 SXHGPXCIUFMZRD-UHFFFAOYSA-N 382.504 4.564 0 40 GJAB O=C1CC[C@@]2(CCCN(Cc3cc(F)ccc3F)CC2)N1Cc1ccccc1 585100060 DNBULORGPGEHJB-HSZRJFAPSA-N 384.470 4.512 0 40 GJAB COC(=O)[C@H](Sc1nc2ccc(OC)cc2[nH]1)c1ccc(Cl)c(Cl)c1 1559311190 JGHHWCWEYQHXKC-OAHLLOKOSA-N 397.283 4.885 0 40 GJAB CC(=O)c1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)c1 1010366 KOOWWCXGDCCKCP-UHFFFAOYSA-N 379.485 4.602 0 40 GJAB Cc1ccccc1N(CC(=O)c1ccc(OC(F)F)cc1)C1=NCCCS1 1072265 NIAPZFXDWRJNQW-UHFFFAOYSA-N 390.455 4.779 0 40 GJAB COC(=O)c1ccccc1Nc1c2ccc(Cl)cc2nc2c1c(C)nn2C 1726041 NOBPNUOEMGJELE-UHFFFAOYSA-N 380.835 4.614 0 40 GJAB CC[C@@]1(C)Cc2c(sc3nc(SCc4cccc(F)c4)nc(N)c23)CO1 2209749 VZWVZHLDMPWJGX-IBGZPJMESA-N 389.521 4.946 0 40 GJAB Cc1ccc(-c2nn(CCC(=O)Nc3ccccc3C)c(=O)c3ccccc23)cc1 2261771 RGWMFXSMCDHHFA-UHFFFAOYSA-N 397.478 4.709 0 40 GJAB CCCCC[C@@H](CC)Cn1c(N)c(C(=O)OCC)c2nc3ccccc3nc21 3212976 NGGPLTNYDWQNNP-OAHLLOKOSA-N 382.508 4.950 0 40 GJAB Fc1cc2c(c(CSc3nnc4ccccn34)c1)O[C@H](c1ccccc1)OC2 3440978 QCOBMENZJXOLPJ-HXUWFJFHSA-N 393.443 4.769 0 40 GJAB COc1ccc(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2C)cc1Cl 4483340 MSOVLBAHWUQMCW-UHFFFAOYSA-N 384.867 4.613 0 40 GJAB Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)Nc2ccc(C)cc2C)c(C)c1 4697296 ULDQHPQNJAAZIP-PVTAMDAMSA-N 388.511 4.936 0 40 GJAB CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc(C(C)=O)c1C 5236389 QDAYBYZCOFGPRQ-UHFFFAOYSA-N 380.853 4.733 0 40 GJAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccc(Cl)cc1Cl 6881144 SDZGICZGULTBNP-XHDPSFHLSA-N 397.327 4.537 0 40 GJAB CCCCCC(=O)Nc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 7433524 AUSKPXYBBOQUJU-UHFFFAOYSA-N 393.443 4.517 0 40 GJAB CC(=O)N(C)Cc1ccc(C(=O)COc2ccc(Cl)c3ccccc23)cc1 7736965 NPWFMOYOINEZEK-UHFFFAOYSA-N 381.859 4.733 0 40 GJAB COc1ccc(-c2nc(CC(=O)Nc3ccc(F)cc3Cl)cs2)cc1 7989113 YFRZVZFIDCUTQV-UHFFFAOYSA-N 376.840 4.792 0 40 GJAB O=C(NCc1ccccc1CN1CCCC1)c1cc(C2CC2)nc2ccccc12 8012453 ZQUHHSYMWBAHJX-UHFFFAOYSA-N 385.511 4.638 0 40 GJAB O=C(c1ccc(-n2cccn2)cc1)N1CCC(c2nc3ccccc3s2)CC1 8039790 CFDWIIDDNKSTTA-UHFFFAOYSA-N 388.496 4.502 0 40 GJAB COc1ccc(/C=C2/SC(Nc3ccc(F)c(Cl)c3)=NC2=O)c(OC)c1 8473018 AXCRLGPMZXXLBO-FRKPEAEDSA-N 392.839 4.579 0 40 GJAB CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)c1 8917235 GPVPSQRQNMKTLB-NRFANRHFSA-N 391.467 4.927 0 40 GJAB CN(C)c1ccc(N2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)cc1 9421616 SEWSIXZFPXYKIZ-UHFFFAOYSA-N 398.462 4.883 0 40 GJAB biogenic O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 11339583 ABZVWBUYXODXDT-UHFFFAOYSA-N 385.442 4.668 0 40 GJAB CC(=O)N[C@H](CC(=O)Nc1cccc(/C=C/c2ccccn2)c1)c1cccs1 12109056 JLHFIWKAFFJGHO-CTDFXDFQSA-N 391.496 4.520 0 40 GJAB CCOc1ccc2[nH]c(C(=O)N3CCC(OCc4ccccc4)CC3)c(C)c2c1 12206121 RZKOIPINYXYMIF-UHFFFAOYSA-N 392.499 4.696 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCCC2)cc1 12773050 KSELIZGAKQNAKU-UHFFFAOYSA-N 376.422 4.621 0 40 GJAB COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc(C)cc3)C2)cc1OC 12779314 VCVFQCJFCAJCDK-LJQANCHMSA-N 390.439 4.597 0 40 GJAB O=C(CSc1nc2ccccc2s1)Nc1cccc(Br)c1 12799013 YGAKEIIVFVKWBY-UHFFFAOYSA-N 379.304 4.790 0 40 GJAB COc1ccc(CCC(=O)Nc2c(C(=O)c3ccco3)oc3ccccc23)cc1 12799801 VNUGAALMAGWRNR-UHFFFAOYSA-N 389.407 4.837 0 40 GJAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)n1 12854273 OZLXZZKXVNOZCA-CYBMUJFWSA-N 385.537 4.968 0 40 GJAB C[C@@H](Oc1ccc(Cl)c(Cl)c1)c1nn2c(=O)c3ccccc3nc2s1 17080067 GDHVVRKJMCFNMN-SECBINFHSA-N 392.267 4.751 0 40 GJAB Cc1cccc(C2(C(=O)NCC3(c4ccccc4Cl)CC3)CCOCC2)c1 19662268 VNXGCKCNCDSPSD-UHFFFAOYSA-N 383.919 4.545 0 40 GJAB CC[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(OC)cc1 20458354 QHKCPNQAYFSLRU-GOSISDBHSA-N 381.900 4.988 0 40 GJAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc(C)c4)cc3n2)cc1Cl 20610699 NUWTVBPJIMHSKS-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20714834 NCNQEQCMKMEYDP-QFIPXVFZSA-N 390.527 4.511 0 40 GJAB Nn1c(SCc2sc3ccccc3c2Cl)nnc1-c1cccs1 24895001 XKECTUTUSVQYJT-UHFFFAOYSA-N 378.935 4.881 0 40 GJAB CC(C)c1ccc(OCC(=O)N(Cc2ccccc2F)c2ccccn2)cc1 28293599 NTDZFYAUPMBCFU-UHFFFAOYSA-N 378.447 4.956 0 40 GJAB CC(C)C(=O)Nc1cccc(CNCc2ccc(OCc3ccncc3)cc2)c1 30629508 GPPZWPRCPXIMDW-UHFFFAOYSA-N 389.499 4.545 0 40 GJAB C[C@@H](Nc1ncnc2cc(-c3ccc(F)cc3)sc12)c1nnc2ccccn12 32806469 CFENZMYOLNGLOA-GFCCVEGCSA-N 390.447 4.713 0 40 GJAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 44786465 XKLMVFKRJGUZHK-ZDUSSCGKSA-N 381.278 4.983 0 40 GJAB O=C(Nc1c(F)cccc1F)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078446 PKIHJLBAGFJVQR-UHFFFAOYSA-N 392.405 4.810 0 40 GJAB COc1ccc(-c2nc(N)cc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC 49468178 CWIJZCIYCZQOKW-UHFFFAOYSA-N 390.365 4.505 0 40 GJAB CSc1ccc(Cl)c(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)c1 58167090 ZKLJZTCDWXISFI-QGZVFWFLSA-N 388.964 4.704 0 40 GJAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1ccccc1Cl 71326489 STHRUAKKHMQVMF-UHFFFAOYSA-N 385.920 4.690 0 40 GJAB CCc1ccc(-c2n[nH]c3c2[C@@]2(C(=O)O)C[C@@H](N3)c3cc(Cl)ccc3O2)cc1 72332299 SYHHSIOTAWLVRP-QVKFZJNVSA-N 395.846 4.522 0 40 GJAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2cnn(-c3ccccc3)c2)n1 83962574 LZLUEAVYNIIOHU-UHFFFAOYSA-N 397.891 4.612 0 40 GJAB COc1cccc(C2=NN(C(=O)c3ccccc3)[C@H](c3nc4ccccc4[nH]3)C2)c1 95116632 MLZMCIQAWPGJKR-QFIPXVFZSA-N 396.450 4.563 0 40 GJAB Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 95453038 DVSYODHGKZVIHA-UHFFFAOYSA-N 383.256 4.905 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2cc(C)nc3ccccc23)c1 95982835 KCTPWXSLUUUATN-OAQYLSRUSA-N 391.471 4.929 0 40 GJAB Cc1noc(C)c1CCC(=O)Nc1nc(-c2c(C)n(C)c3ccccc23)cs1 96231031 LWHUXANOARBATH-UHFFFAOYSA-N 394.500 4.786 0 40 GJAB CN(C)c1ccc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)cc1 102723560 OHZAFTKCLFYTAV-UHFFFAOYSA-N 376.485 4.643 0 40 GJAB O=C(COc1cccc2ccccc12)NCCSCc1cccc(Cl)c1 218908597 SYVLYJMLTYIYDS-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219614206 ZNLGPVPIJYAXRQ-MSOLQXFVSA-N 391.895 4.782 0 40 GJAB CC(C)Sc1ccccc1C(=O)NCc1nc(-c2ccccc2Cl)no1 219659008 RKTAYOWMCKRMLO-UHFFFAOYSA-N 387.892 4.821 0 40 GJAB Cc1cc(OCC(=O)NCc2ccc3ccccc3c2)cc(C)c1Br 222786347 YYWSFTCCGMOGQL-UHFFFAOYSA-N 398.300 4.914 0 40 GJAB COc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C 222936905 JXJHXARQFMUDMP-UHFFFAOYSA-N 398.355 4.903 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 223034847 XVNXHXPSOWSQHX-SFHVURJKSA-N 399.878 4.514 0 40 GJAB COc1cccc(CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)c1 225554688 VOJVKMWSXQVSFJ-UHFFFAOYSA-N 384.545 4.936 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225872911 IHJOQZYVKZNLKA-KRWDZBQOSA-N 394.515 4.501 0 40 GJAB CCCNC(=S)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1 225886534 SCEASRWJCKPWFM-UHFFFAOYSA-N 380.473 4.758 0 40 GJAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(Cl)ccc4O)OCC[C@@]31C2 257307651 SZRLOHXGDRSJRB-VJAQEADRSA-N 391.939 4.700 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 408543802 QTPCQPZPUBWUHM-FUHWJXTLSA-N 391.521 4.657 0 40 GJAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Br)o1 408628429 SXYMBLQXUGPKNF-UHFFFAOYSA-N 397.228 4.780 0 40 GJAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408698309 PAPHJFTZSAZEHA-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CCc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccc(Cl)cc2)cc1 408973455 SJVNNIONBQAZII-UHFFFAOYSA-N 396.874 4.772 0 40 GJAB Cc1cccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@@H]3[C@@]2(O)C(F)(F)F)c1 409098883 MMYMTVGUTJAJTP-YZVOILCLSA-N 382.426 4.520 0 40 GJAB O=C(COc1ccccc1)c1ccc(Br)cc1OC(F)(F)F 575243075 JBOFGOOZKDCZRZ-UHFFFAOYSA-N 375.140 4.609 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H](Oc2ccncc2)C1 575612633 LNTDCRZWSIZLGM-QHCPKHFHSA-N 386.495 4.674 0 40 GJAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 581120081 XGXDVMUJJZPPQO-OAHLLOKOSA-N 392.528 4.647 0 40 GJAB CN(C)c1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1 583652292 ZSVVUSDVWLEAHV-UHFFFAOYSA-N 389.286 4.557 0 40 GJAB Cn1c(CNC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2ccccc21 1542841883 KVCJOARBZWLNCX-UHFFFAOYSA-N 393.531 4.804 0 40 GJAB CCOc1cccc(C(=O)Nc2ccc(I)cc2CC)c1 1262375 NOVYSQLMOKPKLS-UHFFFAOYSA-N 395.240 4.505 0 40 GJAB CC(C)C(=O)Oc1cccc(Nc2ncnc3ccc(Br)cc23)c1 1912304 OKFDHHRPYOIGDJ-UHFFFAOYSA-N 386.249 4.697 0 40 GJAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccco2)cc1C 2229021 BADRSXVRGFNAHF-UHFFFAOYSA-N 399.450 4.670 0 40 GJAB CCOc1ccc(-c2nnc3sc(-c4ccc(N(CC)CC)cc4)nn23)cc1 2374340 NCHAWBLWGJWOMP-UHFFFAOYSA-N 393.516 4.765 0 40 GJAB COc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)c(OC)c1 3227454 WVKCKSIXJCWIIH-UHFFFAOYSA-N 397.500 4.772 0 40 GJAB COc1ccccc1/C=C/C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 3281595 NRTQRNXRECPMHY-XNTDXEJSSA-N 376.383 4.684 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2)cc1OCC 3334449 QMBMJGYHQSBASU-CYBMUJFWSA-N 392.293 4.738 0 40 GJAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3cccc(C)c3)c12 3634646 RDSOQSZRGQCDFN-UHFFFAOYSA-N 388.389 4.896 0 40 GJAB O=C(c1ccccc1)[C@@H]1O[C@@]1(c1ccccc1)[C@H]1O[C@H]1c1ccc(Cl)cc1 4280661 NGHPGSNFXORNTN-CWBXHPNXSA-N 376.839 4.957 0 40 GJAB COc1cc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2cc1OC 4479910 QBBIFXIMIIVDSU-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB Cc1cccc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 5137339 OCFUYDGZSHGRDN-UHFFFAOYSA-N 386.904 4.510 0 40 GJAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2nc(-c3ccccc3)oc2C)c(C)c1 5538559 XWEREISSIHWTLZ-KRWDZBQOSA-N 392.455 4.759 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(I)c1 5867979 NSLDJMFEIRPVEV-UHFFFAOYSA-N 391.130 4.562 0 40 GJAB O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1CCc1c[nH]c2ccccc12 6062621 WVXBCWGSQQPBGC-UHFFFAOYSA-N 396.849 4.661 0 40 GJAB O=C(Nc1ccc(Br)cc1F)c1ccc(OC(F)(F)F)cc1 6377246 SCCZESQEHISAFR-UHFFFAOYSA-N 378.119 4.739 0 40 GJAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl 6559240 SAWFPINGBGUJAT-HNNXBMFYSA-N 386.710 4.761 0 40 GJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)c1 7929156 BAFYOHFGERFBET-FQEVSTJZSA-N 385.463 4.929 0 40 GJAB CN(Cc1ccc(Br)s1)C(=O)CCc1nc2ccccc2s1 7980737 ITSLCWUNPGJMLF-UHFFFAOYSA-N 395.347 4.712 0 40 GJAB O=C(OCCOc1cccc(Cl)c1)c1ncc(Cl)c(Cl)c1Cl 7985591 UAGHBENWYHVGBY-UHFFFAOYSA-N 381.042 4.931 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(C)c1 8049493 VDWFTIBQOMQRBE-SFHVURJKSA-N 394.515 4.772 0 40 GJAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2cccnc2)s1)c1ccccc1 8715568 HCNLMLJVQVRWAD-UHFFFAOYSA-N 385.448 4.688 0 40 GJAB COc1ccc(NC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 8936506 UBFRCUZFZUZQAV-UHFFFAOYSA-N 384.526 4.934 0 40 GJAB CCOc1cc2c(cc1NC(=O)COc1cc(Cl)cc(Cl)c1)O[C@@H](C)C2 10905172 ZDVZTEQQQPVSBR-NSHDSACASA-N 396.270 4.733 0 40 GJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc2c(F)cc(F)cc2s1 11807731 PBJUFWMHDCPNEX-UHFFFAOYSA-N 385.395 4.801 0 40 GJAB C[C@H](C(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1)c1ccccc1 12132071 GDHPRPSWPGBGHN-HNNXBMFYSA-N 378.497 4.521 0 40 GJAB CCOc1ccc(C(=O)N2CCC(c3cc4cc(OC)c(C)cc4cn3)CC2)o1 12144153 ICPKMIWMOTVPPE-UHFFFAOYSA-N 394.471 4.563 0 40 GJAB CSCC[C@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2[nH]1 12547403 UAVWKVOCQPUGPQ-IBGZPJMESA-N 392.528 4.518 0 40 GJAB Cn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCc3sccc3C2)c1=S 12787800 VQBOWRGBXYLMDI-UHFFFAOYSA-N 398.601 4.993 0 40 GJAB COCCNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 12799420 MLCWGUJNUBUKJZ-UHFFFAOYSA-N 382.463 4.945 0 40 GJAB Cc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)s1 12862650 RRWJRGBMSFMOLE-ZSOIEALJSA-N 393.896 4.714 0 40 GJAB COc1cccc(-c2nc(C(=O)N[C@H](C)c3ccccc3C)cs2)c1OC 13019800 MRUOKTNJNIRVDY-CQSZACIVSA-N 382.485 4.627 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13685269 NNMWSXVJMGXRRM-DLBZAZTESA-N 390.483 4.774 0 40 GJAB COc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c(OC)cc1Cl 14381564 AQUPPHAAPLCBFZ-UHFFFAOYSA-N 392.242 4.653 0 40 GJAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 15615119 WZEVVOFURXSHHE-UHFFFAOYSA-N 379.769 4.856 0 40 GJAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(Br)cc1 20138266 YNPLPMKVEBQQSO-UHFFFAOYSA-N 389.032 4.706 0 40 GJAB Cc1nc(NC(=O)c2cc(Cl)ccc2F)sc1-c1nccn1C(F)F 25163298 RZOPTWYSCZNWBA-UHFFFAOYSA-N 386.786 4.755 0 40 GJAB C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1cccc(C(F)(F)F)c1 26476894 KUAGQVMHCSYFAT-QMMMGPOBSA-N 395.328 4.634 0 40 GJAB O=C(CCc1ccco1)Nc1ncc(Cc2ccccc2Br)s1 26624007 LTMLDIGBRZQCJS-UHFFFAOYSA-N 391.290 4.661 0 40 GJAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(-c2nncn2C)c1 31124304 RLURYRVQHUTECK-QGZVFWFLSA-N 398.466 4.555 0 40 GJAB COc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1OC 38754510 PNGRXZJZYHRXIX-WLVMFVESSA-N 377.440 4.715 0 40 GJAB Cc1cc(C(=O)N(Cc2ccco2)C2CC2)cc(C)c1OCc1cccnc1 40132817 YROGYSYITDLBFX-UHFFFAOYSA-N 376.456 4.675 0 40 GJAB Cc1csc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)c1 42380227 HXYXUBQEKNWIDR-ZDUSSCGKSA-N 387.505 4.734 0 40 GJAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O 44297856 AOUKWXDVCOTZTA-KRWDZBQOSA-N 375.852 4.527 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3ccc(F)cc3F)sc2C)cc1OC 61237095 RWDVVLGPYPDJKX-UHFFFAOYSA-N 390.411 4.666 0 40 GJAB CCN(C[C@H]1CCOC1)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 68213994 PXOXSNSFHAIMKV-CYBMUJFWSA-N 387.530 4.600 0 40 GJAB CC(=O)N1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215736 GPYSEDPJPWQJIQ-IBGZPJMESA-N 387.524 4.839 0 40 GJAB C[S@](=O)C[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1 72301693 PCCVNMSMHVOKTI-RBTNQOKQSA-N 387.508 4.829 0 40 GJAB Cc1[nH]nc(NC(=O)c2cc(C(C)C)no2)c1-c1cccc(Br)c1 78869983 UWTPTLWCMLYZNY-UHFFFAOYSA-N 389.253 4.511 0 40 GJAB CNC(=O)c1ccc(CNCc2c(Cl)cccc2Oc2ccccc2)cc1 95455756 MBLRSTVDALPCSK-UHFFFAOYSA-N 380.875 4.782 0 40 GJAB O=C(c1ccc(OC2CSC2)cc1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166550 GWXZSTOXUQXBON-WOJBJXKFSA-N 397.515 4.871 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)c1 216296265 DQSDCEOZAXYOPX-NRFANRHFSA-N 377.440 4.813 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccc(OC)c(OC)c1 216359715 XWSUECPJQIWURO-HXUWFJFHSA-N 393.483 4.673 0 40 GJAB O=C(c1ccccc1Br)N1CCS[C@@H](c2ccccc2F)CC1 219091636 YXKAYBJWMHHOGC-QGZVFWFLSA-N 394.309 4.909 0 40 GJAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H](C)Oc1cccc2c1CCCC2 223294844 RKGMHAALCXHUOR-AOMKIAJQSA-N 379.500 4.535 0 40 GJAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1OC 224238981 OJKWWNHYBHIPPP-KRWDZBQOSA-N 391.467 4.774 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccc2-n2ccnc2C)c1 225513355 LKGFOBJRNPZCLZ-SFHVURJKSA-N 391.515 4.696 0 40 GJAB CC(C)(C)C(=O)N1CCC[C@H]1c1ccc(C(=O)O)c(CCCc2ccccc2)n1 257291152 QFWZTNYTJZWJNY-NRFANRHFSA-N 394.515 4.665 0 40 GJAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(Cl)ccc4O)OCC[C@@]31C2 257307650 SZRLOHXGDRSJRB-NROQGZOISA-N 391.939 4.700 0 40 GJAB Cc1c(Br)ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1C 408594076 FDSFSRQQYZFKHA-UHFFFAOYSA-N 397.725 4.846 0 40 GJAB CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 408628768 XFZAPPUKTWAYOW-UHFFFAOYSA-N 380.256 4.635 0 40 GJAB O=C(c1ccc(Br)c(C(F)(F)F)c1)C(F)(F)Br 575362615 KBNDWTSMNMPTKO-UHFFFAOYSA-N 381.920 4.638 0 40 GJAB Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3Cl)cc2)nn1 1543921645 OXRQJSZJEWASEL-FQEVSTJZSA-N 391.902 4.953 0 40 GJAB Cc1sc(NC(=O)C(F)(F)F)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 1002087 HPWAPYKRGKUIBH-UHFFFAOYSA-N 384.423 4.621 0 40 GJAB Cc1cccc(NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)c1 1006575 GSNJDXUNQFYYPY-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB CCOc1ccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 1327092 JAQMJJLIAYJHGR-UHFFFAOYSA-N 380.517 4.538 0 40 GJAB Cc1nn(-c2ccc(F)cc2)cc1C(=O)Nc1ncc(C(F)(F)F)cc1Cl 1397318 VTPIZCHSKFZPLD-UHFFFAOYSA-N 398.747 4.639 0 40 GJAB Cc1cccc(C)c1-n1c(S[C@H]2CCCCC2=O)nc2ccccc2c1=O 2623345 FRXJLOXHASPSSS-IBGZPJMESA-N 378.497 4.606 0 40 GJAB CCOc1ccc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 2640617 AGAAQVMGPNLOPO-UHFFFAOYSA-N 378.399 4.717 0 40 GJAB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)NC(C)(C)C)c12 2654874 QWJXOCMGLOOSEH-UHFFFAOYSA-N 390.512 4.986 0 40 GJAB CC(=O)c1ccc(OC(=O)c2ccccc2F)cc1OC(=O)c1ccccc1F 3130073 ALDUIRHTWOYOJX-UHFFFAOYSA-N 396.345 4.606 0 40 GJAB COc1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC 3333086 ZDDFJNPPGBBSJU-UHFFFAOYSA-N 384.259 4.591 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 4554947 NDWOIRCDHSRWJP-UHFFFAOYSA-N 392.386 4.903 0 40 GJAB CCSc1nnc([C@H]2CCCN2C(=O)[C@@H](c2ccccc2)C2CCCC2)n1C 5001646 FYDQXIYEGKWOOA-MOPGFXCFSA-N 398.576 4.565 0 40 GJAB O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCc2ccccc21 5146493 UQUMSDDQCDHHQG-UHFFFAOYSA-N 393.899 4.848 0 40 GJAB CCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc(OC)c(OC)c1 5451517 UXRDIRJSZNNWPL-UHFFFAOYSA-N 395.455 4.914 0 40 GJAB biogenic CCN(CC)C(=S)S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5988001 INOYCZBWZWWKSJ-QGZVFWFLSA-N 376.522 4.865 0 40 GJAB Cc1cc2occ(CC(=O)Nc3ccccc3N3CCOCC3)c2cc1C(C)C 6255670 MYLLWRWWADIZCS-UHFFFAOYSA-N 392.499 4.882 0 40 GJAB CCc1ccc(Nc2nnc(SCC(=O)NC3CCCCCC3)s2)cc1 6319635 TZEYZUNUSWPIQI-UHFFFAOYSA-N 390.578 4.775 0 40 GJAB CCOc1ccc2oc(C(=O)OCC(=O)NC3CCCCCCC3)c(C)c2c1 6657166 BKMMXDDACCGVOZ-UHFFFAOYSA-N 387.476 4.526 0 40 GJAB COc1cccc(NC(=O)[C@@H](Sc2nc(C)c(C)c(C)n2)c2ccccc2)c1 7252517 XEQIONSJGSFLFT-FQEVSTJZSA-N 393.512 4.883 0 40 GJAB CCCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 7263444 ITYXDBQRCDOUHC-UHFFFAOYSA-N 392.290 4.581 0 40 GJAB CCOc1cc(CN[C@H](CC)CO)ccc1OCc1ccc(Cl)cc1Cl 8337085 OGPIJKBOIYWCGW-QGZVFWFLSA-N 398.330 4.832 0 40 GJAB CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(-c3nc(C)cs3)c2C)cc1 8429119 JTDCETOEMIZIIQ-UHFFFAOYSA-N 399.541 4.792 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 8904127 QTLQMXUJHSEDBS-UHFFFAOYSA-N 381.472 4.756 0 40 GJAB O=C(c1cccc(Br)c1)N(C(=O)N1CCCCC1)c1ccccc1 9317741 PRYBRJWASBYARH-UHFFFAOYSA-N 387.277 4.702 0 40 GJAB Cc1nc2cc(NC(=O)c3c(C)nn(Cc4ccccc4Cl)c3C)ccc2o1 9514348 VENVMYGUXPBVDW-UHFFFAOYSA-N 394.862 4.904 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 10925069 ZTYXKMGEAHVZFQ-LLVKDONJSA-N 393.270 4.748 0 40 GJAB COc1ccccc1NC(=O)[C@H](C)Sc1cc(-c2ccccc2)nc(C)n1 12017022 LRRRXYZPFSRSGW-AWEZNQCLSA-N 379.485 4.580 0 40 GJAB C[C@H](N[C@H]1CCc2ccccc21)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12805433 HNRILSPMUAAIBQ-LRDDRELGSA-N 377.469 4.583 0 40 GJAB CCOC(=O)c1cccc(NC(=O)CSCc2ccccc2Cl)c1C 13632057 SFQYPMNLIBKBOJ-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB COc1ccc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)cc1OC 14094072 WHZOIMYEBNVPHO-UHFFFAOYSA-N 377.440 4.768 0 40 GJAB CC(=O)Nc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 14474764 NUZAWIHYVVAOSR-UHFFFAOYSA-N 383.300 4.824 0 40 GJAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 15318685 DUTKPMIPRORDJL-UHFFFAOYSA-N 394.789 4.532 0 40 GJAB CN1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3cc(Cl)ccc32)CC1 19802492 FXNIZUNNLDFXGR-QGZVFWFLSA-N 379.356 4.989 0 40 GJAB COc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1-c1ccc(CO)o1 20142102 KLBAPMPLEWWQAJ-UHFFFAOYSA-N 395.455 4.735 0 40 GJAB Cc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1NC(N)=S 20156923 WVXLORLNDJDUES-UHFFFAOYSA-N 390.306 4.838 0 40 GJAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1 21141360 GGCAIVROBQXQGS-HNNXBMFYSA-N 396.516 4.626 0 40 GJAB CCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3ccccc3nc21 21596650 MCDHAPMLYQNANY-UHFFFAOYSA-N 394.862 4.665 0 40 GJAB Cc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)c(F)c1 24926509 PAKSZPHSMMHFEA-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)cc1 32070966 UDJGGXAZRLAGQK-UHFFFAOYSA-N 389.411 4.635 0 40 GJAB O=C(COc1cccc(-c2noc(-c3ccco3)n2)c1)Nc1cccc(Cl)c1 33327425 OGEXQVYSUCFMPQ-UHFFFAOYSA-N 395.802 4.668 0 40 GJAB CCc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1nnc(C2CCCCC2)s1 35322638 NFDLJMJYOGSCSB-CQSZACIVSA-N 397.548 4.773 0 40 GJAB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C/c1cccc([N+](=O)[O-])c1 35647755 MIYREIJUEBLHNP-VGOFMYFVSA-N 394.239 4.793 0 40 GJAB Cc1noc(-c2cccc(NC(=O)CCCOc3ccc(Cl)cc3C)c2)n1 40152558 BMCKRWBUYZQHDU-UHFFFAOYSA-N 385.851 4.805 0 40 GJAB CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1Cl 41076948 ZBXLBRIRJWMPPY-UHFFFAOYSA-N 383.879 4.872 0 40 GJAB O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CC[C@H](N2CCCC2)C1 60374080 MCAPEVUGINJXSI-SFHVURJKSA-N 388.433 4.683 0 40 GJAB Cc1ccc(-c2ncc(C(=O)Nc3c(C(N)=O)oc4ccccc34)s2)c(C)c1 61134279 CGKAAEYOTSLGOC-UHFFFAOYSA-N 391.452 4.524 0 40 GJAB COc1ccccc1NC1CCN(Cc2ccc(Br)cc2)CC1 79059075 XIISTKGKTLRCCS-UHFFFAOYSA-N 375.310 4.534 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](COc2ncc(C(F)(F)F)cc2Cl)C1 91364390 YEATWQKDKDGKMM-NSHDSACASA-N 394.821 4.780 0 40 GJAB O=C(CCSc1ccc2c(c1)OCCO2)Nc1ccc2oc(C3CC3)nc2c1 95399263 IUVZZPQSUIIUHR-UHFFFAOYSA-N 396.468 4.597 0 40 GJAB O[C@@H](Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(OC(F)(F)F)cc1 95951624 CXSISJJNERJDPP-AWEZNQCLSA-N 390.283 4.687 0 40 GJAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(OC)c(C)c1 223446945 PDWIFCJUSHSSBC-JOCHJYFZSA-N 398.522 4.622 0 40 GJAB Cc1ccc(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 223775859 LXGJYTJNZBVOFW-UHFFFAOYSA-N 398.550 4.780 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)CCc3cccc4ccccc34)ccc21 225120849 RAZFBKZWXUESFB-UHFFFAOYSA-N 376.481 4.807 0 40 GJAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 225594788 IZKCBVKWJREBCN-GOSISDBHSA-N 383.557 4.691 0 40 GJAB CCOc1ccc(CCC(=O)NCc2cccc(C(F)(F)F)c2)cc1OCC 225803830 VXKLLPSRTFNSMX-UHFFFAOYSA-N 395.421 4.752 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N3c4ccccc4C[C@H]3C)n2)cc1 225837084 LYYFVOMKXCYIMI-MRXNPFEDSA-N 375.472 4.770 0 40 GJAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccco2)cc1 239611778 FENSELHAZQZNEG-UGKGYDQZSA-N 394.858 5.574 0 40 GJAB CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(C)cc1 408561091 GNOHCHQYXNPHAY-FCQUAONHSA-N 380.513 4.857 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2cc(C)c(C)cc2Br)c1 408597436 ZMGCBZKYYPJJIY-UHFFFAOYSA-N 377.307 4.501 0 40 GJAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)CC)cc3)CC2=O)cc1 408653208 FIFVROFVVUEZJL-QGZVFWFLSA-N 395.499 4.731 0 40 GJAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1ccc(F)cc1 408713074 JGLNSANGQGXVDE-UHFFFAOYSA-N 382.460 4.919 0 40 GJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 409347340 PNFVJSWJOYCWTK-UNOMPAQXSA-N 394.496 4.541 0 40 GJAB CN(C(=O)c1cc2sccc2n1CC(=O)c1ccccc1)C1CCCCC1 1324415 MYMHXMGADAKOPT-UHFFFAOYSA-N 380.513 4.990 0 40 GJAB COc1ccccc1NC(=O)c1sc2nc3cc(C)cc(C)c3cc2c1N 1343013 QRNCYMKCXLDQQM-UHFFFAOYSA-N 377.469 4.909 0 40 GJAB CCCCOC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 1747441 OWONGIIGDCASQL-VHSXEESVSA-N 397.682 4.689 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@H](C)C2 1904685 DBIDLXPJAIJHJW-NSHDSACASA-N 377.893 4.955 0 40 GJAB Cc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)[C@H]2CCOC(C)(C)C2)cc1 2299069 BDSWUGIHYGTWRP-PMACEKPBSA-N 391.511 4.970 0 40 GJAB COc1ccc2c(c1)c1ncnc(N3CCC(Cc4ccccc4)CC3)c1n2C 2404978 FCGYUPKTPBOXAJ-UHFFFAOYSA-N 386.499 4.589 0 40 GJAB Cc1ccc(C(O)(c2ccc(C)cc2)[C@@]2(C)CC[C@H](C(=O)O)C(C)(C)O2)cc1 3845832 HHUXSSCDXMJTOO-NFBKMPQASA-N 382.500 4.588 0 40 GJAB biogenic O=C(COc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 4072428 LYBBDBCJBOWEGY-UHFFFAOYSA-N 380.256 4.529 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2n1 4240475 DGSHGDZNRAGSCB-IFXJQAMLSA-N 377.513 4.613 0 40 GJAB CCOc1ccc(-c2cnc(NCc3ccccc3Cl)n2CCOC)cc1 4679219 RLYVCFUMBPDUJQ-UHFFFAOYSA-N 385.895 4.861 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)c2c(c1)OCCCO2 5261856 UKTPLAGKKNAVFP-UHFFFAOYSA-N 386.879 4.744 0 40 GJAB Cc1cc2ncn(S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)c2cc1C 6189412 UPBNUTRBUSNGBV-UHFFFAOYSA-N 389.691 4.850 0 40 GJAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccs1 6355940 MJPPHXOSDFRKRH-VURRPDKYSA-N 390.306 4.616 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1n[nH]c2ccccc12 6370736 SSPDMUWSROEDMS-UHFFFAOYSA-N 379.460 4.605 0 40 GJAB O=C(COc1ccccc1-c1ccccc1)Nc1ccc2c(c1)OCCCO2 6590889 PAAWOQFQSACRAZ-UHFFFAOYSA-N 375.424 4.532 0 40 GJAB CCc1ccc(N(CC(=O)c2ccc(OC)cc2F)C2=NCCCS2)cc1 6870964 WIJCEROHKIBQFU-UHFFFAOYSA-N 386.492 4.579 0 40 GJAB COc1cc2ccccc2cc1C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 6931918 HHJROMKSINVULT-UHFFFAOYSA-N 394.902 4.773 0 40 GJAB COc1cccc(Cn2nc(C)c(NC(=O)Nc3ccccc3Cl)c2C)c1 8274928 CQHSRPBKQHZTFT-UHFFFAOYSA-N 384.867 4.854 0 40 GJAB C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1cccc(Cl)c1 8428071 QBRYOKAEAIWNPR-JTQLQIEISA-N 393.299 4.898 0 40 GJAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc4c3O[C@H](C)[C@H]4C)o2)cc1 8484559 NEGOAZFXMXXYHU-MCIONIFRSA-N 394.427 4.548 0 40 GJAB COc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 9951755 HBSWAXAYKAWHEW-HUUCEWRRSA-N 395.528 4.805 0 40 GJAB O=C(CCc1ccccc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 12024108 KETBOIORAQSWKS-UHFFFAOYSA-N 381.479 4.788 0 40 GJAB CCn1c(/C=C/c2ccccc2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 12541513 KRXSYSRYVJLHIY-DHZHZOJOSA-N 380.391 4.520 0 40 GJAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1C(F)(F)F 12566483 BNEFUQKHPFWCNJ-ZQIUZPCESA-N 386.410 4.866 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12628627 YXPKJJHGYNTYAW-HXUWFJFHSA-N 377.488 4.603 0 40 GJAB Cc1cc(C)c(NC(=O)c2ccccc2I)c(Cl)c1 12800606 SNTLQDLQUSTXKP-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1cc(F)ccc1F 12808041 HWSLYQILVFMUJA-UHFFFAOYSA-N 382.414 4.592 0 40 GJAB CCOc1cccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1 13553117 MZWNIFFSRTXYOW-UHFFFAOYSA-N 383.517 4.657 0 40 GJAB C[C@@H]1C[C@@H](OC(=O)[C@@H](OC(=O)c2cccnc2)c2ccccc2)CC(C)(C)C1 13884306 JVISQUVIQOJOOQ-AHRSYUTCSA-N 381.472 4.738 0 40 GJAB in-man Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 14164730 WQKBFSHVQNRVSQ-INIZCTEOSA-N 388.858 4.666 0 40 GJAB CCOCc1c(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)oc2ccccc12 18047827 ZARZXPJHXJYETD-MRXNPFEDSA-N 389.455 4.646 0 40 GJAB Cc1ccc(-c2nnc(CNC(=O)c3cccc(-c4ccc(F)cc4)c3)o2)s1 19217943 NKPWMGKFCJDFTQ-UHFFFAOYSA-N 393.443 4.843 0 40 GJAB CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)C(CC)CC)n1 19525502 KDDKVQRFRJYRNN-SFHVURJKSA-N 384.524 4.882 0 40 GJAB CC(=O)Nc1ccc(/C=C/c2cnc(/C=C/c3ccc(NC(C)=O)cc3)cn2)cc1 20096655 IFANLULNTZRKKN-FNCQTZNRSA-N 398.466 4.734 0 40 GJAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 20140370 HGSFBPDCTYXTFF-UHFFFAOYSA-N 389.766 4.698 0 40 GJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cc(Cl)cc(Cl)c1 29471310 XPFUDMSSZFOKGX-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB CN(Cc1ccccc1NCC(=O)Nc1cc(C(C)(C)C)no1)C1CCCCC1 32753336 XCTAGJNCOLVYFV-UHFFFAOYSA-N 398.551 4.787 0 40 GJAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCCOc2ccc(F)cc2)o1 32945456 RFMYWHIUZZYXOO-GFCCVEGCSA-N 378.400 4.659 0 40 GJAB CCCCOc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)cc1 33689205 FMWWCPAPNCSGBU-UHFFFAOYSA-N 394.496 4.851 0 40 GJAB COc1cccc(Nc2c(-c3ccc(OC)c(O)c3)nc3ccc(C)cn23)c1 35616164 XJTDJUXCZJJNKA-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB COc1ccc(-n2nc(C)c3c(C(=O)Nc4cccc(C)c4)cc(C)nc32)cc1 36616220 VQKSDPAEXFBAHT-UHFFFAOYSA-N 386.455 4.607 0 40 GJAB CC(=O)Nc1ccc(OC(=O)c2c(-n3cccc3)sc3c2CCSC3)cc1 40005072 XIHJTNUNXPVAQD-UHFFFAOYSA-N 398.509 4.506 0 40 GJAB CC(C)(C)c1noc(CSc2nccn2-c2ccc(Br)cc2)n1 40051180 CMVUZAPXCMMTAX-UHFFFAOYSA-N 393.310 4.608 0 40 GJAB O=C(NCc1ccc(Cn2ccnc2)cc1)Nc1ccc(OC2CCCC2)cc1 40120619 SEMGUIUFGHEGMZ-UHFFFAOYSA-N 390.487 4.575 0 40 GJAB COc1ccc2oc(C)c(C(=O)NCc3ccc(F)cc3C(F)(F)F)c2c1 48275864 BOMBABRGZFSSBE-UHFFFAOYSA-N 381.325 4.838 0 40 GJAB O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H](COCc2ccccc2)C1 49031510 WVWNIUKZTIYDAF-KRWDZBQOSA-N 377.406 4.774 0 40 GJAB CCCCc1ccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)cc1 51316224 ADXUKBXUMIGSQG-UHFFFAOYSA-N 394.515 4.691 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1cccs1 57024641 TYTPHFIGHHBQRR-OAQYLSRUSA-N 380.513 4.877 0 40 GJAB Cc1ccc([C@@H](NCC(=O)Nc2ccnn2C2CCCC2)c2ccccc2)cc1 57270659 HXKDVBFYAWGTEQ-DEOSSOPVSA-N 388.515 4.624 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57412562 AWQQNCLZOYSUSP-UHFFFAOYSA-N 397.862 4.939 0 40 GJAB c1c2c(cc3c1-c1cc4c(cc1[C@H](C1CC1)O[C@H]3C1CC1)OCCO4)OCCO2 66088003 YMRHYPCBGYPJPG-ZEQRLZLVSA-N 392.451 4.828 0 40 GJAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1cccc(Cl)c1 71326365 KSRBZDWASQTBPY-UHFFFAOYSA-N 393.299 4.827 0 40 GJAB O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(N2CCCCC2)cc1 72309226 CEAFRWHQIIBVEA-OAQYLSRUSA-N 394.515 4.877 0 40 GJAB CCn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c(=O)c2ccccc21 72329891 OYRMTQDKSCZJFZ-UHFFFAOYSA-N 385.345 4.757 0 40 GJAB Cc1ccc(-c2cnc(NCCc3c(C)noc3C)nc2-c2ccc(C)o2)o1 72396933 OMZKOXNLUDTDAM-UHFFFAOYSA-N 378.432 4.873 0 40 GJAB CC(C)[C@@H](CNC(=O)CCc1cccc(OC2CCCC2)c1)c1cccnc1 75107337 BMHDKAIIGYXAGF-HSZRJFAPSA-N 380.532 4.892 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(Oc2ccccc2)CC1 84553545 OWUTVBCRAAFADW-RTBURBONSA-N 389.417 4.879 0 40 GJAB C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)[C@@H](O)c1c(F)cccc1Cl 89598480 ROALWYGWXDPPHW-NSPYISDASA-N 391.801 4.730 0 40 GJAB Cc1cc(CN[C@@H](C)c2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1 95450132 PYYKBQWHDVSDQF-AWEZNQCLSA-N 379.335 4.933 0 40 GJAB COCOc1ccc(OC)cc1CNc1cc([C@@H]2C[C@H]2C)nn1-c1ccccc1 95455333 VFAWCZZTJXZHKX-OXQOHEQNSA-N 393.487 4.599 0 40 GJAB CN(Cc1cc(-c2ccccc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95951877 XCECVQGRQPERES-PMACEKPBSA-N 389.282 4.739 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(Br)cc2)c2cccc(C)c2n1 217444920 LTZJHBWVSXSTQK-UHFFFAOYSA-N 385.261 4.632 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCSCc1ccccc1 218999201 ABKLXPAJLJKOMP-IBGZPJMESA-N 385.529 4.737 0 40 GJAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222548188 ZHGXXSIBOVTSEZ-QHCPKHFHSA-N 394.559 4.507 0 40 GJAB O=C(CCCSc1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 222684648 DWDAIAOFWSSNIO-UHFFFAOYSA-N 392.927 4.700 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccs2)no1 222941201 JONHKLAWVWAQRJ-INIZCTEOSA-N 399.516 4.569 0 40 GJAB CC[C@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(OC)c(C)c1 223339922 HHAGVIREKUTBFH-QHCPKHFHSA-N 394.559 4.792 0 40 GJAB Cc1ccc(OCCNC(=O)COc2ccc(Cl)cc2Cl)cc1Cl 224115206 LIJJPZGTVWDYRN-UHFFFAOYSA-N 388.678 4.529 0 40 GJAB COc1cc(C)c(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1C(C)C 224194168 YHCRENVMWFLGQK-UHFFFAOYSA-N 375.896 4.898 0 40 GJAB CC[C@@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc(OC)c(C)c1 225185702 RNBUTBVMXGWTRQ-OAQYLSRUSA-N 399.512 4.595 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)NCc1cncc(-c2cccs2)c1 225666480 ZPWKFHFJMKWWHZ-UHFFFAOYSA-N 393.295 4.812 0 40 GJAB Cc1ccc([C@H](NC(=S)Nc2ccc(C(=O)N(C)C)cc2)C(C)C)c(C)c1 225766309 SUEZEQBVAYLXDB-HXUWFJFHSA-N 383.561 4.689 0 40 GJAB COc1cc(OC)cc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)c1 226286660 WNGXXCURTKEFFV-UHFFFAOYSA-N 386.407 4.672 0 40 GJAB Cc1ncc(-c2nc(-c3ccsc3)no2)c(N[C@@H]2CCc3ccccc32)n1 239846213 KZFWUAVWBATLDO-QGZVFWFLSA-N 375.457 4.663 0 40 GJAB Cc1cc(C)nc(N2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)n1 257238463 HLCGFLNGKNFJMV-HXUWFJFHSA-N 376.479 4.602 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1Cc1ccco1 260752847 AEKLGYZTCBXENB-GQWLDOHISA-N 392.528 4.731 0 40 GJAB COc1ccc(/C=C(/C(=O)Nc2cccc(NC(C)=O)c2)c2ccccc2)cc1 408563003 HMGCDTYCFQNFKH-HZHRSRAPSA-N 386.451 4.833 0 40 GJAB O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1cccc(Br)c1 409155633 QNSXZEJCKVMFNO-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB O=C(Oc1ccc2ccccc2c1)c1ccc(Cn2nnc3ccccc32)cc1 409182090 IBFIUGIYVXFGJB-UHFFFAOYSA-N 379.419 4.852 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C)cc1 409382246 QJNFRZPGOJKMCE-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB C[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)c1c(Cl)ccc(F)c1Cl 512696296 VZIZLSUZQMRHDH-LBPRGKRZSA-N 392.261 4.868 0 40 GJAB COCc1ccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)cc1 1615156058 JTJVVAYAORJABK-XMMPIXPASA-N 396.506 4.636 0 40 GJAB CCOc1ccccc1Oc1coc2cc(OC(=O)N(CC)CC)ccc2c1=O 703841 WVUYEDSUCCLTDM-UHFFFAOYSA-N 397.427 4.825 0 40 GJAB biogenic Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(F)cc2)c2cccs2)cc1 868802 CDJDTRCCCLFIFD-FQEVSTJZSA-N 388.485 4.984 0 40 GJAB Cc1cc2nc(CCN(C(=O)NCc3ccccc3)C3CCCC3)[nH]c2cc1C 1360874 SFOSARIBPOBGFK-UHFFFAOYSA-N 390.531 4.877 0 40 GJAB CCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1Cl 2197256 IVEZWWVANYANKW-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB COc1cc2c(cc1OC)CN(C(=O)CSc1ccc3ccccc3c1)CC2 2628772 TVNXOHCGEMEPER-UHFFFAOYSA-N 393.508 4.534 0 40 GJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)c1ccc(OC(F)F)cc1 3304697 PVNKIROCQDTMHY-UHFFFAOYSA-N 382.362 4.781 0 40 GJAB O=C(COc1ccc(F)cc1)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655390 PGJOVZWVQWIFAN-UHFFFAOYSA-N 389.382 4.820 0 40 GJAB CCc1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 4746984 JWDVEUAKVKTGCW-UHFFFAOYSA-N 383.300 4.691 0 40 GJAB Cc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccccc2)cc1 4937699 PZXGTPZWVMQSEL-FCQUAONHSA-N 375.449 4.806 0 40 GJAB CCc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 4965481 CFKYDWBTLNTBMV-UHFFFAOYSA-N 385.895 4.785 0 40 GJAB CC(=O)N1CCCc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21 5099230 XRZPHMCKPQGOQJ-UHFFFAOYSA-N 384.479 4.834 0 40 GJAB Cc1ccc(N2C(=O)C[C@H](c3ccc(Cl)cc3Cl)C3=C2COC3=O)cc1 5266681 ARAICZKTVQKUAQ-OAHLLOKOSA-N 388.250 4.633 0 40 GJAB CC[C@@H](CO)Nc1nc(SC(C)C)nc2sc3c(c12)C[C@@](C)(CC)OC3 5478289 JILNONVUMCULFI-HXPMCKFVSA-N 395.594 4.616 0 40 GJAB CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 6152435 OOJVLUZPMFGLRM-UHFFFAOYSA-N 384.907 4.702 0 40 GJAB C[C@@H](Sc1nnc(NC(=O)[C@@]2(C)CC2(Cl)Cl)s1)c1ccccc1 6668104 NJTHDZUCENJQGB-YMTOWFKASA-N 388.345 4.914 0 40 GJAB CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 6762591 ITDWUMYJUXDGKI-IBGZPJMESA-N 383.561 4.666 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)CC[C@@H](O)c3ccccc3)sc2C)cc1 6963744 KHKODGXGERBKEV-LJQANCHMSA-N 396.512 4.970 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2Cl)cc1 7601278 XMJQQKMAHWAHFD-UHFFFAOYSA-N 388.924 4.869 0 40 GJAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(NC(=O)c2cccs2)cc1 7780550 DPRKKCYIXNWRKY-UHFFFAOYSA-N 383.498 4.588 0 40 GJAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7882042 HSZWXFGLOVQBHF-ZDUSSCGKSA-N 377.271 4.547 0 40 GJAB O=C(Nc1ccnn1Cc1ccccc1)c1cccc(OCc2ccccc2)c1 7988232 IZYUPHPIVSJVBG-UHFFFAOYSA-N 383.451 4.763 0 40 GJAB O=c1c2c(-c3ccccc3)csc2nc2n1N=C(c1ccc(F)cc1)CS2 8230057 HIFFFPGGFLSHNX-UHFFFAOYSA-N 393.468 4.622 0 40 GJAB O=C(O)c1cccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCC5)o2)c1 8743428 PKDOOWFDLLJJFC-UHFFFAOYSA-N 392.436 4.901 0 40 GJAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1c(F)cccc1Cl 8863075 NWTYDXGXIMYWHP-KRWDZBQOSA-N 380.916 4.888 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 8959735 KXGLPIZMZCEJAX-UHFFFAOYSA-N 380.488 4.655 0 40 GJAB COc1ccc(-c2c(C)nn3c(=O)c(Cc4ccccc4Cl)c(C)[nH]c23)cc1 10338592 PSRDYGWUKJMPEM-UHFFFAOYSA-N 393.874 4.559 0 40 GJAB CCc1ccc(CCC(=O)Nc2ccc(I)cc2C)cc1 10366779 LGOLITOIGSFCMV-UHFFFAOYSA-N 393.268 4.733 0 40 GJAB CCOc1ccc2oc(C(=O)Nc3nc(-c4cccnc4)cs3)c(C)c2c1 12558587 QCHCQOMUTXAANG-UHFFFAOYSA-N 379.441 4.911 0 40 GJAB COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(OC)c1 12696336 MERDSCMSATUIAW-HSZRJFAPSA-N 395.886 4.806 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNc1ncnc2sc(C)c(C)c12 12751239 MAZNODDSWGIDMS-UHFFFAOYSA-N 377.517 4.782 0 40 GJAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(N2CCCC2=O)cc1 15326789 ZKBNVUXZKIKFCW-UHFFFAOYSA-N 397.906 4.709 0 40 GJAB COc1ccc(-c2csc3nc(CNc4ccc(C)cc4)[nH]c(=O)c23)cc1 19926589 FLJNDKFRMHZTGG-UHFFFAOYSA-N 377.469 4.581 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Br)c(Cl)c1 20459871 JOAJCKHRWFFFAQ-INIZCTEOSA-N 398.684 4.907 0 40 GJAB C[C@H](NC(=O)CSc1ncnc2ccsc12)c1ccc2c(c1)CCCC2 22005160 HETZSUOIUPJKEO-ZDUSSCGKSA-N 383.542 4.540 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc3c(c2)OCCCO3)cc1 24393557 VSJGJPIFKRMGKN-HXUWFJFHSA-N 381.472 4.614 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)c2cccnc12 27930512 XYDJDLNZMQVQLC-UHFFFAOYSA-N 375.653 4.832 0 40 GJAB CCN1C/C(=C/c2cccc(Cl)c2)c2nc3ccccc3c(C(=O)O)c2C1 33759351 QWONPRPIDIRRSV-GDNBJRDFSA-N 378.859 4.963 0 40 GJAB COc1ccc2c(c1)OC[C@@H](C(=O)Nc1c(F)cccc1Oc1ccccc1)C2 89467016 GOJDNHKGDZYNSC-INIZCTEOSA-N 393.414 4.816 0 40 GJAB CCN(CCC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1)CC1CC1 95458195 KFSYQAADLJEFAN-UHFFFAOYSA-N 381.923 4.845 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3cnn(-c4ccncc4)c3C)sc2C)s1 95976770 XRWSNQQHCVAWPN-UHFFFAOYSA-N 395.513 4.630 0 40 GJAB c1ccc(CN2C[C@@H]3CN(CC(c4ccccc4)c4ccccc4)C[C@@H]3C2)cc1 96245622 JIYGBLYRRARIFK-WMPKNSHKSA-N 382.551 4.882 0 40 GJAB Cc1cc(C)c(N[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1 101277169 ZEJLIIASLQATND-MRXNPFEDSA-N 377.271 4.663 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)cc1C 101354158 FEIUFGZGKNHUSA-UHFFFAOYSA-N 397.478 4.800 0 40 GJAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)c1 102746449 VBYFJVGKRCTMDW-GPXOXTDOSA-N 395.543 4.881 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@H]2c2cccs2)C[C@H](c2ccc(F)cc2)C1 102839076 FXIJXCKSQWEFDY-GTNSWQLSSA-N 382.420 4.899 0 40 GJAB CCCCCCOc1ccc(C(=O)/N=c2/sc3ccccc3n2C)cc1OC 104992468 CFTNNFKAQARZAX-GHVJWSGMSA-N 398.528 4.949 0 40 GJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1 216374868 TUJKCHRSXWNTEH-LBPRGKRZSA-N 382.685 4.667 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)cc1Cl 222897056 NBKKAKKWWLLLBS-LJQANCHMSA-N 389.879 4.875 0 40 GJAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1cccc(OC)c1 224591053 WMZONZQWDCVKQX-UHFFFAOYSA-N 383.488 4.545 0 40 GJAB CCOC(=O)c1cc(NC(=S)NCc2ccc(Cl)cc2)ccc1Cl 225305397 JVNHTHFZEZINPT-UHFFFAOYSA-N 383.300 4.657 0 40 GJAB Cc1ccccc1-c1noc(CNC(=O)CCc2c(Cl)cccc2Cl)n1 225364710 JVISWMTUSDSNQY-UHFFFAOYSA-N 390.270 4.601 0 40 GJAB Cc1ccc(CCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C 225514547 HPYWCTPMHAKLIV-UHFFFAOYSA-N 383.879 4.598 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 225786931 AGIDWLAFPSQXLD-QGZVFWFLSA-N 384.951 4.992 0 40 GJAB COc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c2ccccc12 260763099 INABBNDUOORNBW-PUCZYUMASA-N 375.497 4.833 0 40 GJAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccccc1OC 408562957 SPPCXJBZGCWEFN-XDOYNYLZSA-N 386.904 4.948 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1 408705337 CMTYQTHESWCLQI-ZDUSSCGKSA-N 384.328 4.810 0 40 GJAB O=C1C[C@H]([C@@H]2CC=CCC2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1 524731879 NPFREZSWVDKTAI-GDBMZVCRSA-N 388.419 4.915 0 40 GJAB biogenic Cc1ccc(C)n1CCCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 575444034 UBTQRRPEJHGNEL-OAQYLSRUSA-N 378.520 4.905 0 40 GJAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 1534363665 LMXWUSZIXUCQAZ-SECBINFHSA-N 393.739 4.721 0 40 GJAB O=C(c1csc(-c2ccc(Cl)cc2)c1)N1CCc2ccccc2[C@@H]1CO 1546338864 MEFCHSBTKXPDAF-IBGZPJMESA-N 383.900 4.800 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)Nc4cc(F)ccc4F)c(N)c3cc2C1 661794 LXYGTPFDKDHZKR-JTQLQIEISA-N 387.455 4.924 0 40 GJAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)C(C)(C)C 679577 VKZXKOBQPSDHIS-UHFFFAOYSA-N 399.541 4.831 0 40 GJAB O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccc(Cl)cc1 1083727 OCPQEQZWSRBPHQ-UHFFFAOYSA-N 393.826 4.595 0 40 GJAB Cc1cccc2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c12 1378156 VGSGNEOUAJEHBL-UHFFFAOYSA-N 393.462 4.952 0 40 GJAB Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccc(C(C)C)cc1 1385030 OBUNVXZJXOKESC-UHFFFAOYSA-N 396.800 4.522 0 40 GJAB CCC(=O)N(CC[C@]1(C(C)C)CCOC(C)(C)C1)Cc1ccc2c(c1)OCO2 2101699 CZCARHUUZYJPRS-QHCPKHFHSA-N 389.536 4.775 0 40 GJAB biogenic Cc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1F 2256774 CFUOGFNNPPMQLA-UHFFFAOYSA-N 392.434 4.559 0 40 GJAB O=C(/C=C/c1ccc(Br)o1)Nc1nc(-c2ccccc2)cs1 3179952 MANKSQQLDVEPDU-VQHVLOKHSA-N 375.247 4.818 0 40 GJAB O=C(CNc1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 3221527 ZFLJLNFVKQXULP-UHFFFAOYSA-N 377.315 4.887 0 40 GJAB CCn1c(COc2ccccc2)nnc1SCC(=O)c1cc(C)c(C)cc1C 3355790 ZYOAUEFYKVVNQW-UHFFFAOYSA-N 395.528 4.777 0 40 GJAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 4064400 ZYPZUNSVMUIZNX-MRXNPFEDSA-N 385.291 4.745 0 40 GJAB COc1cccc(C(=O)Oc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)c1 4340749 WOQUQZNORIGTHJ-UHFFFAOYSA-N 386.403 4.996 0 40 GJAB biogenic CCC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C)c3)sc2c1 4699391 QAGGWPNWNVLSTQ-UHFFFAOYSA-N 385.514 4.684 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)c1 4860429 BVLKEDNOTSWDOL-UHFFFAOYSA-N 384.505 4.542 0 40 GJAB Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(NCC(C)(C)CN(C)C)c1C 4980184 BQXHPZMAOALZHJ-UHFFFAOYSA-N 385.943 4.666 0 40 GJAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)cc1 5396452 WTGXEWIRQGTZTM-AWEZNQCLSA-N 383.542 4.937 0 40 GJAB Cc1ccc(OCC(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 5541738 YFOYTVYVXIKYLL-UHFFFAOYSA-N 385.419 4.786 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)OCCNC(=O)c1cccc(Cl)c1 5944192 LIRKKEQFVZGXEV-UHFFFAOYSA-N 387.650 4.625 0 40 GJAB CCc1noc(C)c1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 6605794 WBMZNMQRKZIDPN-UHFFFAOYSA-N 377.469 4.998 0 40 GJAB CSCc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)o1 6664280 KACXPVNGBOYAOI-IBGZPJMESA-N 391.496 4.733 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)cc1 6790274 HLSPEGBRKBRYOZ-UHFFFAOYSA-N 398.507 4.779 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)cc(-c3ccccc3)n2)c1C 7624019 IWLDOFXMULEBHZ-UHFFFAOYSA-N 379.485 4.575 0 40 GJAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(F)c(F)c1F 7968286 ZULBZAZKWVEZKY-UHFFFAOYSA-N 375.346 4.746 0 40 GJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(C2CC2)nc2ccccc12 8076347 USCXXFPWCIJDFY-UHFFFAOYSA-N 388.467 4.546 0 40 GJAB COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)O 8113298 PJQFPHAXKBRGCQ-OEAKJJBVSA-N 377.396 4.702 0 40 GJAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 9114393 FKZAJHIPGVYJBN-UHFFFAOYSA-N 395.908 4.600 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)c2c(C)c(C)sc2n1 11135569 CYKWSVNVISFDHO-MJVIPROJSA-N 377.579 4.602 0 40 GJAB Cc1noc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)C3CC3)cc2)c1C 12182240 GRGQDIQLHSYWFK-UHFFFAOYSA-N 390.487 4.565 0 40 GJAB C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(Cl)cc1 12628370 GMGWRGNSDGVJNG-ZDUSSCGKSA-N 396.903 4.691 0 40 GJAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(SC(F)(F)F)cc2)c(C)c1 12759854 AUKNDXVCKQBPAW-UHFFFAOYSA-N 396.434 4.592 0 40 GJAB COc1ccc(-c2c(C(=O)N(C)C)c(C)nc3sc4c(c23)CCCC4)cc1 12771021 YQWDABCLFMWJEW-UHFFFAOYSA-N 380.513 4.861 0 40 GJAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(OCC(F)(F)F)cc1 12903120 AFLLWMCGNJCPJV-UHFFFAOYSA-N 382.363 4.525 0 40 GJAB O=C(NCCc1cccc2cccnc12)c1ccc(COc2ccccc2)cc1 12907294 BSKSHBFRFZRQOE-UHFFFAOYSA-N 382.463 4.786 0 40 GJAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccccc1-c1ccccc1 12945207 MDHRXSXMEZVLLE-UHFFFAOYSA-N 397.478 4.709 0 40 GJAB O=C(NCc1ccccc1Cl)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12973686 KTDNYCKVMWIEJO-UHFFFAOYSA-N 389.842 4.987 0 40 GJAB CC[C@@H](C)N(Cc1ccccc1)C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 13008472 SBQWMUZTMBLXPA-GZKZCVOOSA-N 383.488 4.553 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13685416 JVLFIANMCFNATJ-KRWDZBQOSA-N 390.483 4.632 0 40 GJAB C[C@@H](Oc1ccc(F)cc1F)c1nnc(SCc2ccc(F)cc2)n1C 13852157 JEBRCAJCKQTDKO-LLVKDONJSA-N 379.407 4.665 0 40 GJAB Cc1ccc(C(=O)CSc2nc(=O)n(C3CCCCC3)c3c2CCC3)cc1 15840340 LCTQJBUGIOULFN-UHFFFAOYSA-N 382.529 4.521 0 40 GJAB CCCCNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 17270470 VYGAPWMCIDQBRZ-UHFFFAOYSA-N 376.439 4.910 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCC(C)C 20495626 XTEMLFVTYWEEHK-GOSISDBHSA-N 388.895 4.522 0 40 GJAB C[C@H]1CCC[C@@H](N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 20569772 UWADVROSAKPYEC-TUACAJSNSA-N 382.592 4.758 0 40 GJAB COc1ccc(-c2noc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1 20900046 NIABEKWXFPLMFO-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB COc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(Br)cc3)cc2c1 25110179 OAIWRVRLHSOCQM-UHFFFAOYSA-N 399.288 4.587 0 40 GJAB Cc1ccoc1C(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 32848239 ZBKUSXODHHWFKC-UHFFFAOYSA-N 389.333 4.850 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1NC(=O)c1cccs1 38678814 NXHAVMVVRATGSY-UHFFFAOYSA-N 386.860 4.671 0 40 GJAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H]2CCCC[C@H]21 40090231 RCRJKRKADYUDIB-MAUKXSAKSA-N 387.911 4.894 0 40 GJAB COc1ccc(-c2cc(=O)n3c4ccccc4n(Cc4ccccc4C)c3n2)cc1 40484649 NUHVGDXAEUKXPV-UHFFFAOYSA-N 395.462 4.682 0 40 GJAB CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1 58167947 UCAMZGYOHDGDOK-IBGZPJMESA-N 387.911 4.564 0 40 GJAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc(Cl)nc1Cl 60098740 UOYUNTADKVATDV-UHFFFAOYSA-N 381.650 4.539 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3ccc(Cn4ccnc4)cc3)n2)cc1C 69534062 MFRPGPOFGLVXLO-UHFFFAOYSA-N 388.496 4.924 0 40 GJAB O=C(NCc1csc(C2CC2)n1)N[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 69957682 GPSXTHQRXXUDLF-OCCSQVGLSA-N 382.316 4.683 0 40 GJAB CC(C)Sc1ccc(CC(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 70640027 OVLROPMMIXSQDV-GOSISDBHSA-N 397.462 4.598 0 40 GJAB O[C@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F 84501678 GQFURUQEZIOQRN-GFCCVEGCSA-N 384.707 4.918 0 40 GJAB COc1ccc2cc([C@@H]3CC(c4cccc(F)c4)=NN3C(C)=O)c(Cl)nc2c1 95115944 NWSLPCQNVXGYGU-FQEVSTJZSA-N 397.837 4.734 0 40 GJAB CC(C)c1sc(Br)nc1C(=O)Nc1nc2c(s1)CCCC2 95474670 DVTCPCMPFCRYSL-UHFFFAOYSA-N 386.340 4.617 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 219303046 NHVCQAXAXXDXCI-FXAWDEMLSA-N 397.515 4.806 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cc(C)ccc1C 219375812 QVYRFUONNVYXRE-NRFANRHFSA-N 383.532 4.999 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1C(C)(C)C 223713842 LHQFKIBQGUOSSF-LJQANCHMSA-N 389.923 4.990 0 40 GJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1C 223932730 OGAWJSZGIBADGS-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1cc(C)cc(C)c1 224092134 QINNKQMWADLSIG-JOCHJYFZSA-N 377.484 4.809 0 40 GJAB CCOc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1OCC 225065081 JAJXSFGCZHXZMU-UHFFFAOYSA-N 385.504 4.634 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c(C)c1 225166963 YYTWEGPLBWGATH-HNNXBMFYSA-N 384.501 4.667 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccnc(-c2cccs2)c1 225650755 JMYITCQAGSLMKH-UHFFFAOYSA-N 386.904 4.937 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(F)cc1 257353594 RZVKAWNUVBFUSF-RECXWPGBSA-N 375.528 4.865 0 40 GJAB CCCCOC(=O)c1cc(NC(=O)CSc2ccccc2N)ccc1Cl 408599793 KVMXQZOGQKSKAX-UHFFFAOYSA-N 392.908 4.610 0 40 GJAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(Cc3ccccc3Cl)C[C@@H]1CCO2 1534646958 YGBGANMDHAATAX-ROUUACIJSA-N 398.934 4.898 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccc(F)c(F)c2)CN1c1ccc(F)cc1 1615119728 JJBQSZIRLWNMMJ-QFIPXVFZSA-N 388.433 4.768 0 40 GJAB Cc1cc(C)c(S(=O)(=O)Oc2ccc3ccccc3c2)cc1Br 1889296633 MVSWCGZLBWNRMI-UHFFFAOYSA-N 391.286 4.987 0 40 GJAB CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 659576 FRLYBENXCPBOAB-UHFFFAOYSA-N 385.464 4.806 0 40 GJAB COc1ccc(Cc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 1274450 UNCWUBPHAJDBBA-UHFFFAOYSA-N 381.501 4.687 0 40 GJAB C[C@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2)cc1 1982781 FCGBYWTZJINUJO-HNNXBMFYSA-N 379.387 4.802 0 40 GJAB Cc1cc(C)c(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c(C)c1 2224707 DFVGXEBOPZMOGM-UHFFFAOYSA-N 387.479 4.926 0 40 GJAB Cc1cc(C(=O)COc2ncnc3scc(-c4ccccc4)c23)c(C)n1C 2619630 OYSHQGZXTHYGHV-UHFFFAOYSA-N 377.469 4.575 0 40 GJAB O=C(OCC(=O)N1CCCc2ccccc21)c1c(Cl)ccc(Cl)c1Cl 3312539 ZRAPTEQVFPQGPF-UHFFFAOYSA-N 398.673 4.783 0 40 GJAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnc2ccccn12)c1ccccc1 3316790 AEYFRRDRDUBOKQ-NRFANRHFSA-N 384.464 4.927 0 40 GJAB CCOc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)c1 4731486 RIPZRHNDQYVOBC-OAQYLSRUSA-N 391.471 4.676 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N[C@H]1CCCc2ccccc21 5442762 XZHIWXNACOTRRE-BJKOFHAPSA-N 398.506 4.742 0 40 GJAB O=C1/C(=C/Nc2ccccc2O)c2ccccc2C(=O)N1c1cccc(Cl)c1 6455155 XKZKFLIJUAOVBW-QGOAFFKASA-N 390.826 4.686 0 40 GJAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccc(C)cc1 6595523 YKVGWYIWSKHNNG-CMDGGOBGSA-N 391.261 4.833 0 40 GJAB CCCOc1c(Cl)cc(C(=O)Nc2cc(OC)cc(OC)c2)cc1OCC 6600176 LFXVCTXXTRAVPP-UHFFFAOYSA-N 393.867 4.797 0 40 GJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)C1CCC1 6648201 CVHQKPZPMMGGME-UHFFFAOYSA-N 379.891 4.951 0 40 GJAB CCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1 6772747 ZTNLQMHPGKWTPN-UHFFFAOYSA-N 386.455 4.688 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccc(C(C)C)cc1 7905494 FBSJIGLMTHHHIB-UHFFFAOYSA-N 390.531 4.683 0 40 GJAB CCOc1cc(C(=O)N2CCCC2)cc(Br)c1OCCC(C)C 8133399 CFNOAZHXYXNQLB-UHFFFAOYSA-N 384.314 4.509 0 40 GJAB CCOCCCNCc1ccc(OCc2ccccc2Cl)c(OCC)c1 8253186 GNENKLNLPRYUTP-UHFFFAOYSA-N 377.912 4.834 0 40 GJAB CC(C)c1cccc2sc(N3CCN(C(=O)CCc4ccccc4)CC3)nc12 9034594 OKWPXXDZZDXRFZ-UHFFFAOYSA-N 393.556 4.701 0 40 GJAB CCOc1ccc(NC(=O)[C@@H](C)Sc2cc(-c3ccccc3)ncn2)cc1 12016786 FVFXWBLYDQJAHH-OAHLLOKOSA-N 379.485 4.662 0 40 GJAB Cn1cc(Cl)c([C@H]2CCCCCN2C(=O)C23CC4CC(CC(C4)C2)C3)n1 12119604 CNGIWXCOJQPAKQ-DIKOGFFKSA-N 375.944 4.734 0 40 GJAB CC[C@H](C)NC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12231680 DAJYTLSVCHKLIG-INIZCTEOSA-N 387.470 4.886 0 40 GJAB C[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 12390389 WIZPIGIYXYPHQS-CQSZACIVSA-N 375.447 4.552 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 12786085 GSESJJJONDWMCH-VGOFRKELSA-N 377.509 4.998 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 13632720 QRPGIIMYUFAAES-HNNXBMFYSA-N 389.879 4.848 0 40 GJAB C[C@@H](NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1Cl 14774268 TUKNTICRIPRCIU-GFCCVEGCSA-N 389.883 4.892 0 40 GJAB O=C1C[C@H](c2cccc(F)c2F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15107222 BYJIADYNGMQAFA-GFCCVEGCSA-N 385.391 4.866 0 40 GJAB COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cc(C)cc(C)c3)cs2)cc1 15832721 QGDHXWOECNVDJY-INIZCTEOSA-N 396.512 4.519 0 40 GJAB O=C(OCc1nc(-c2ccsc2)no1)c1ccc2[nH]c3c(c2c1)CCCC3 16772313 XLBQAQDUSWPHHG-UHFFFAOYSA-N 379.441 4.515 0 40 GJAB C[C@@H]1CCCCN1C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 17245207 QMKMVZFOTCWUDB-PBWIWHKOSA-N 383.576 4.769 0 40 GJAB Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)CCCc1ccncc1 19214603 LUVFNFPDLLBKCY-UHFFFAOYSA-N 382.467 4.962 0 40 GJAB Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@@H](c1cccc(Cl)c1)C2 19817375 DGYMELNOYFASNF-AWEZNQCLSA-N 376.847 4.623 0 40 GJAB Cc1nn2c(nnc3c(=O)n(-c4ccc(C(C)C)cc4)ccc32)c1-c1ccccc1 19818875 UPDQORXIXFSXAJ-UHFFFAOYSA-N 395.466 4.527 0 40 GJAB C[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)[C@@H](O)c1ccccc1 22076614 VYQBNRUFRDRUFK-JLTOFOAXSA-N 386.289 4.921 0 40 GJAB c1ccc(C(c2ccccc2)N2CCN(Cc3cc(-c4ccco4)on3)CC2)cc1 22771753 ZEZQGPXUULEQPS-UHFFFAOYSA-N 399.494 4.842 0 40 GJAB Cc1c([C@H](C)NC(=O)C2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1 24970743 NIODOQFQZOSDKR-ZDUSSCGKSA-N 379.426 4.957 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(COc3ccccc3C)o2)c1 28236909 JTXXOGPNIGISLB-INIZCTEOSA-N 395.455 4.675 0 40 GJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)cc1OC(C)C 31820820 AWBZGLDNKAHKMH-KRWDZBQOSA-N 377.444 4.792 0 40 GJAB Cc1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)c(Cl)c1 32648749 GXFHMAGKPMKIDU-UHFFFAOYSA-N 390.668 4.849 0 40 GJAB C[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(Br)cc1 32843285 DYRLFSNXBLDBIX-HNNXBMFYSA-N 387.321 4.536 0 40 GJAB Cc1ccc(C(=O)[C@@H](C)Sc2nccn(-c3ccc(Cl)cc3)c2=O)cc1C 33039800 RIROHXCCJLAVRH-OAHLLOKOSA-N 398.915 4.866 0 40 GJAB C[C@@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccc(OC(C)(C)C)cc1 36040025 RJOJJTDMJJLFBO-PXNSSMCTSA-N 395.499 4.948 0 40 GJAB Cc1cc(C(=O)Nc2ccc(C)c(F)c2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36617011 QKBIETCYLVWNKO-UHFFFAOYSA-N 392.409 4.876 0 40 GJAB CCCCn1nc(C)c2c(C(=O)N[C@@H](C)CCc3ccco3)cc(C3CC3)nc21 36617025 WGJREANUKVBAEL-HNNXBMFYSA-N 394.519 4.761 0 40 GJAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(Cl)cccc3s2)c(C)o1 38839562 HAHLFXUSRQCQFE-ZDUSSCGKSA-N 390.892 4.985 0 40 GJAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 40081013 MROGHNCIMQZDQX-DLBZAZTESA-N 392.421 4.677 0 40 GJAB CN(Cc1ccsc1)C(=O)CN(C)[C@@H](c1ccccc1)c1ccc(F)cc1 57848365 KXHDRWAINPGECO-QFIPXVFZSA-N 382.504 4.567 0 40 GJAB Cc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)cc1 64949587 NVGJVOUQDFXDAV-UHFFFAOYSA-N 394.434 4.720 0 40 GJAB CN(C)c1nc2sc(C(=O)Nc3ccccc3OC3CCCC3)cc2s1 65787372 VGACCYPUXZJSDJ-UHFFFAOYSA-N 387.530 4.998 0 40 GJAB COc1ccc(NC(=S)Nc2cc(Cl)c(OC)cc2OC)cc1Cl 71761845 ACTNQWMDYLFZAZ-UHFFFAOYSA-N 387.288 4.828 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 95469945 XATXINRSRVVAGY-STQMWFEESA-N 389.402 4.966 0 40 GJAB Clc1ccccc1OCc1nn2c(-c3cc4ccccc4o3)nnc2s1 96193904 CEPKWCNMTSWLRP-UHFFFAOYSA-N 382.832 4.831 0 40 GJAB Cc1cc(C)cc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)c1 100426407 QYVIOXYHEQXNGG-VXKWHMMOSA-N 391.515 4.651 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)cc1C 107701915 LYTMMIWILDLAEW-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 222936178 UQJZRHWXFQMCMX-NRFANRHFSA-N 394.515 4.907 0 40 GJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 224199645 CFGOGAKVMIRLCA-SFTDATJTSA-N 376.529 4.522 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224619316 OIOSAPAVHCIRIN-LSDHHAIUSA-N 391.895 4.619 0 40 GJAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COCC(C)C 224734743 QGXVYCLOWPGMEY-UHFFFAOYSA-N 375.896 4.841 0 40 GJAB Cc1ccnc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c1 225343258 FPHKUKSREXLNAT-UHFFFAOYSA-N 386.373 4.917 0 40 GJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(OC)c(Cl)c1 225703216 ZSHYJYHRGNAPGA-QGZVFWFLSA-N 376.909 4.721 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OC)cc1C(=O)OCC 225799907 LWAYOSONKOUMMG-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB COc1cccnc1NC(=S)NC1(CCc2ccc(Cl)cc2)CCCC1 225875577 GHYIGYBZFQZPTJ-UHFFFAOYSA-N 389.952 4.976 0 40 GJAB CCc1cc(Br)cc(C)c1NC(=O)c1c(OC)cccc1OC 226093381 PLUSNZMJYPKJOV-UHFFFAOYSA-N 378.266 4.589 0 40 GJAB COc1ccc([C@H]2C[C@@H](NC(=O)c3ccccc3)[C@@H]3CCCC[C@H]3O2)cc1OC 257306899 SWMQAOQRESHQED-GPQLQYNLSA-N 395.499 4.523 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC 408682415 YIUNBIDAAPSMHF-UHFFFAOYSA-N 390.288 4.592 0 40 GJAB CCOc1cc(C)c(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1C(C)C 409233202 RVQNIKLYJURDPJ-DEDYPNTBSA-N 378.472 4.610 0 40 GJAB O=C(Nc1ccc(Cn2cccn2)cc1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 626330388 ZQFDGUIAJNXLTE-GOSISDBHSA-N 396.441 4.621 0 40 GJAB CC1(C)CC(NC(=O)N2c3ccccc3CCc3ccccc32)CC(C)(C)N1 848819 QNSFFRSTGXLBGL-UHFFFAOYSA-N 377.532 4.942 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 1024740 DONLIGMQLJQQHC-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 1095909 MCIAMVVNWPELTR-MRXNPFEDSA-N 394.544 4.650 0 40 GJAB C[C@H](c1ccc(OCc2ccccc2)cc1)c1cc2c(cc1OCCO)OCO2 1582752 QHDRFVNTMGJJOS-QGZVFWFLSA-N 392.451 4.517 0 40 GJAB Cc1ccccc1CN1CCc2c(OCc3ccc(F)cc3)cccc2C1=O 2716567 XSTPPQAKYKYGTJ-UHFFFAOYSA-N 375.443 4.912 0 40 GJAB COc1ccc(OC)c([C@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)c1 3120630 XJXKMAKJQACSNW-RPWUZVMVSA-N 390.435 4.606 0 40 GJAB CCCCOc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccccc1C2(C)C 3999972 YRTBHNTXONKCLH-SXKZTFQGSA-N 390.527 4.893 0 40 GJAB biogenic Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1 4036390 ZUECSFHVUHUMPI-UHFFFAOYSA-N 395.509 4.776 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](CC(C)C)NC(=O)C1CCCCC1 4778526 BYHXOYSPCGQFRM-SFHVURJKSA-N 394.943 4.707 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1 5500854 GYXBBBHUBVXJOR-UHFFFAOYSA-N 394.544 4.993 0 40 GJAB CC(C)(C)C(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 5627223 ALJCIELDIQKTLY-UHFFFAOYSA-N 379.913 4.553 0 40 GJAB O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Cl)cc1 6093321 YUYJNBGRDSVIDK-UHFFFAOYSA-N 389.889 4.517 0 40 GJAB C[C@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)c1c[nH]c2ccccc12 6099249 QWQFDSQPMQTTCV-VIFPVBQESA-N 391.283 4.881 0 40 GJAB CCn1c(C)cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1C 6128420 GARMRBZOMKYMSN-UHFFFAOYSA-N 380.517 4.558 0 40 GJAB CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(OC(C)C)cc1 6265237 LDAJRIAODYMKGN-FZKQIMNGSA-N 389.521 4.749 0 40 GJAB CCOc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1 6962709 BLCBCKXDJBEUNT-UHFFFAOYSA-N 395.240 4.559 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(C)s1 7830958 CMSCEAVXJKVNNQ-UHFFFAOYSA-N 383.542 4.857 0 40 GJAB CSc1nnc(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)s1 7987238 LHOGHPCWJLLKQH-UHFFFAOYSA-N 383.523 4.920 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Br)c(Cl)c1 8041590 NDEBLNAAIOWGAE-AWEZNQCLSA-N 398.684 4.907 0 40 GJAB Cn1cc(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)cn1 8248320 AUPMQXUPDNELFX-UHFFFAOYSA-N 388.290 4.586 0 40 GJAB Cc1sc2nc(-c3ccc(C(=O)N(C)C4CCCCC4)cc3)nc(N)c2c1C 8721287 NMSAIBCRKPHBGM-UHFFFAOYSA-N 394.544 4.962 0 40 GJAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1c(Cl)cccc1Cl 8938253 PRIZKHYZVBRINT-ZDUSSCGKSA-N 399.343 4.675 0 40 GJAB CCc1ccc([C@@H](NC(=O)c2cc(=O)c3ccccc3o2)c2cccs2)cc1 10447667 IEQCAGOMIOJIEW-JOCHJYFZSA-N 389.476 4.936 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 10473132 PFDUEQJYXKUUFL-UHFFFAOYSA-N 382.504 4.532 0 40 GJAB CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3F)cc(-c3ccco3)nc21 10510823 CMJMUSSUMHVSHP-UHFFFAOYSA-N 382.370 4.803 0 40 GJAB Cc1cc2nnc(SCC(=O)Nc3ccccc3Cl)n2c2c(C)cccc12 11903176 MRKKTBCKKGQSID-UHFFFAOYSA-N 396.903 4.884 0 40 GJAB Cc1cnc(NC(=O)Cc2cnc(-c3ccc(OC(F)(F)F)cc3)s2)s1 12323273 YNTUFWNNLSXSKW-UHFFFAOYSA-N 399.419 4.655 0 40 GJAB CC(C)(C)C(=O)N[C@@H](c1nccs1)C1CCN(CC2CCCCC2)CC1 12365673 MTMLMCPCLZACQL-GOSISDBHSA-N 377.598 4.639 0 40 GJAB COc1ccc(NC(=O)c2ccccc2SCc2cscn2)c(OC)c1 12796803 CMUGPTPGUDPONO-UHFFFAOYSA-N 386.498 4.705 0 40 GJAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1 12952654 YRRYGXJTMJFKDJ-LLVKDONJSA-N 388.876 4.653 0 40 GJAB CC(=O)N[C@@H](C)c1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 12974514 YNVFIQWTOGZGCS-NSHDSACASA-N 386.245 4.623 0 40 GJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCC2)cc1Cl 13609508 XGZWHZIHKROCAL-UHFFFAOYSA-N 396.874 4.510 0 40 GJAB COC(=O)c1cc(NC(=O)c2ccccc2OCc2ccccc2)ccc1Cl 13687311 DCECWQZKBCLPJF-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1F 14196581 MZJBOLUGBAQGGJ-UHFFFAOYSA-N 388.486 4.682 0 40 GJAB CC[C@@H]1c2ccsc2CCN1C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 16779196 ZDZWGFWNUUXFQD-ZWKOTPCHSA-N 390.936 4.505 0 40 GJAB O=C(Cc1cccs1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 17178243 OZMOAOMAYRXDCQ-UHFFFAOYSA-N 376.481 4.522 0 40 GJAB O=C(CC[C@H]1CCCO1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 19293317 XYLHHCMWOLOUKF-CQSZACIVSA-N 384.423 4.650 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1Cl 20457403 POIIMGNCMMKURB-CQSZACIVSA-N 375.852 4.540 0 40 GJAB COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1OC 20486791 KBUUIPUNSMAWIC-UHFFFAOYSA-N 388.467 4.519 0 40 GJAB CCOc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1OCc1cccnc1 24442458 NUMUYJBNTCGICQ-KRWDZBQOSA-N 388.467 4.651 0 40 GJAB CCc1ccccc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32578495 NMXGKBITUCIIRK-UHFFFAOYSA-N 399.450 4.984 0 40 GJAB CSc1ncc(Cl)c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)n1 32818767 FIKSAXRVKSEPDO-UHFFFAOYSA-N 376.869 4.543 0 40 GJAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)c1OC(C)C 36354369 FPNUWEVQDOJLNG-KRWDZBQOSA-N 395.434 4.931 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Nc1ccccc1NC(=O)c1ccccn1 38678829 QQAVBNFOGBZGNV-UHFFFAOYSA-N 396.834 4.640 0 40 GJAB Cc1ccc([C@H](NC(=O)COCc2nc3ccccc3s2)C(F)(F)F)cc1 48304104 IHIVRDDDNOHRDC-SFHVURJKSA-N 394.418 4.541 0 40 GJAB C[C@H](Oc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cn1)c1ccccc1 48353980 KWQSERJPHZKNOP-HNNXBMFYSA-N 390.439 4.981 0 40 GJAB CCN(CC)c1c(S(=O)(=O)c2ccc(C)c(C)c2)cnc2ccc(C)cc12 49421517 YNTBZFWTEHBHJV-UHFFFAOYSA-N 382.529 4.839 0 40 GJAB CCOC(=O)c1sc2nc(C)nc(NCc3cc4ccccc4[nH]3)c2c1C 58544117 CYWNHXLMVTXALD-UHFFFAOYSA-N 380.473 4.578 0 40 GJAB O=C(CCOc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72358269 ILVPNFVGROXNNG-XMMPIXPASA-N 386.495 4.805 0 40 GJAB CC(C)(C)OC(=O)C1CCC(N2CCC(Oc3ccc(F)cc3)CC2)CC1 95457073 APUPRJCPGLPMSR-UHFFFAOYSA-N 377.500 4.569 0 40 GJAB CC(C)CCC[C@@H](C)NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 101700595 KZRHTEGJCHXUCF-AQNXPRMDSA-N 397.563 4.534 0 40 GJAB CCOc1ccc2nc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)sc2c1 102149540 PBYJSOJWOHOJEY-YXWQFLTLSA-N 390.574 4.728 0 40 GJAB CCOc1ccccc1Nc1nc(-c2ccc(OC)cc2)c(CC(=O)O)s1 141701808 IZBAFGKBWCXYQE-UHFFFAOYSA-N 384.457 4.588 0 40 GJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)S1 222624307 DEJLYBVMSFNIQA-XMCHAPAWSA-N 378.476 4.601 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 222776029 TVPVEJLOYLDSPB-RBUKOAKNSA-N 382.920 4.518 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)ccc1Cl 223732267 NWOXVGHOURLGCS-INIZCTEOSA-N 389.923 4.908 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 224605244 FQMQYVSSBLXGLB-JOCHJYFZSA-N 394.515 4.501 0 40 GJAB O=C(CSCc1ccc(Cl)cc1F)NCCOc1ccccc1Cl 225287026 USHRKLZMMGCVMU-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB COc1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c2cccnc12 225792195 VVJMFXYDEZPXLN-MRXNPFEDSA-N 395.528 4.614 0 40 GJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225845674 YSQAIAZUMXJSPI-NRFANRHFSA-N 379.497 4.574 0 40 GJAB S=C(Nc1ccc(Br)cc1)NC1(c2cccnc2)CCCC1 225846243 IYYUWHOVAPDWSZ-UHFFFAOYSA-N 376.323 4.600 0 40 GJAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2ccccc2)cc1 257219701 DHUDOEUDUINCAP-UHFFFAOYSA-N 375.424 4.514 0 40 GJAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)on1 257254928 KFGWKOARMIBLDO-LJQANCHMSA-N 397.450 4.883 0 40 GJAB Cc1ccc(COc2ccc(/C=C3/NC(=O)N(c4ccccc4)C3=O)cc2)cc1 409014056 OREFFYDRTNCVCX-PXLXIMEGSA-N 384.435 4.671 0 40 GJAB CC[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)c(C)c3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409183019 RJMZRRHAKNHWPS-NDGTYSDOSA-N 388.817 4.537 0 40 GJAB C[C@H](N[C@H](C)C1CC(F)(F)C1)c1nc(-c2ccc(Br)cc2)no1 529559973 ZPSBEABNQOCNTF-ZJUUUORDSA-N 386.240 4.584 0 40 GJAB COc1ccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C=C4C)cc1 575472982 MVBXWJUQWVXJJN-UHFFFAOYSA-N 389.451 4.664 0 40 GJAB Cn1ccc(-c2nc(CN3CC[C@H](c4ccccc4Cl)C3(C)C)cs2)n1 1654638558 YDPHCHDOZHLLGL-MRXNPFEDSA-N 386.952 4.965 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 1006643 FTFDSXNVHWLHNY-UHFFFAOYSA-N 378.403 4.729 0 40 GJAB O=C1N(c2cccc(Cl)c2)[C@H](c2ccc(Br)cc2)N2CCCN12 1240452 KIPKGCNYOBOCLJ-MRXNPFEDSA-N 392.684 4.664 0 40 GJAB COc1ccc(Cl)cc1-c1nc(-c2ccc(Br)cc2)cc(=O)o1 1259014 NRTOWWFXQLPBLC-UHFFFAOYSA-N 392.636 4.793 0 40 GJAB CCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccco1 1364356 SKZMFVKYISMKNT-UHFFFAOYSA-N 384.505 4.550 0 40 GJAB CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3ccccc3F)s2)cc1 2252278 ZGIXPVPIBSRMNK-UHFFFAOYSA-N 385.464 4.806 0 40 GJAB O=C(Nc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2532713 ZNJAWZSJPPXAAY-UHFFFAOYSA-N 399.800 4.839 0 40 GJAB Cc1cccc(N[C@@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)c1 3111577 PVDVOVUGHHSYJG-HNNXBMFYSA-N 375.658 4.672 0 40 GJAB CC(C)Sc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 4079440 FXBCFLXIHGUTMD-UHFFFAOYSA-N 392.731 4.707 0 40 GJAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3)C3CCCC3)cc2c1 4231111 CPMPYLYMBCOLIJ-UHFFFAOYSA-N 390.483 4.512 0 40 GJAB CCCCCOc1ccc(C(=O)Nc2nnc(-c3cccc(OC)c3)o2)cc1 4276051 UIUKSXLUZCPYDA-UHFFFAOYSA-N 381.432 4.567 0 40 GJAB Cc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 5498784 VHCSZPWUCPLHRG-HXUWFJFHSA-N 381.907 4.614 0 40 GJAB COc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1 5577086 DHAYBWULHPUJLS-HVSLCEISSA-N 384.476 4.776 0 40 GJAB CCCn1nnnc1NCc1ccccc1OCc1ccc(Cl)cc1Cl 5979160 TZMATXAHZNLNKH-UHFFFAOYSA-N 392.290 4.581 0 40 GJAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1cccc(Cl)c1 6269697 ONTCZZIRBKBCJW-UHFFFAOYSA-N 380.831 4.879 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(Cl)c(OC)c(OC)c1 6307302 DCMSZDONEGQJKI-UHFFFAOYSA-N 377.868 4.916 0 40 GJAB CC(C)COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 6327021 NPENQNQVONMOSO-NDENLUEZSA-N 395.480 4.641 0 40 GJAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1 6355931 ZBQFASARDNSNMZ-LNOXHEFASA-N 384.277 4.555 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)c1 6628056 BODBUNNCAGQJKF-UHFFFAOYSA-N 387.936 4.766 0 40 GJAB COc1ccccc1NC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 7758058 SSZWSUWQEBNAFR-UHFFFAOYSA-N 386.407 4.946 0 40 GJAB COc1ccccc1OCCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 8169380 IATBJKSUBOATKF-CAPFRKAQSA-N 387.435 4.646 0 40 GJAB Cc1nc(-c2ccc(CCn3c(=S)[nH]c4ccccc4c3=O)cc2)cs1 8280386 ZNGJBGJTJNBOIY-UHFFFAOYSA-N 379.510 4.734 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccccc1Cl 8492238 RDFGICKVLQWPLN-LJQANCHMSA-N 377.937 4.855 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ncc(Cc2ccccc2)s1 9579023 PSBQKWCAIMJFGK-UHFFFAOYSA-N 375.453 4.950 0 40 GJAB Cc1cc2nc(-c3ccc(CNS(=O)(=O)c4ccccc4)cc3)oc2cc1C 10120399 BHTLJOBKFRBSLM-UHFFFAOYSA-N 392.480 4.590 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10546842 COYSGRBMERWFMJ-QGZVFWFLSA-N 386.455 4.546 0 40 GJAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 10737282 BBDUNZFXSKQSDW-UHFFFAOYSA-N 379.847 4.688 0 40 GJAB CC[C@@H](C(=O)O[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F)c1ccccc1 12569406 OJZZKFGVEUBSJK-QAPCUYQASA-N 380.362 4.798 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12628664 CSTZGBYPTVLIEZ-KRWDZBQOSA-N 394.525 4.654 0 40 GJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)OCc2ccc(-n3cccn3)cc2)c1 12684933 AWOLEJZXQRZPLN-UHFFFAOYSA-N 393.443 4.576 0 40 GJAB COc1cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1O 13656073 BVHJLPIFRTVFNE-OAHLLOKOSA-N 383.835 4.672 0 40 GJAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1cccc2ccccc12 14659375 XTNYPGMUKANTKO-UHFFFAOYSA-N 386.476 4.848 0 40 GJAB O=C(C1CCC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373179 LAADKFZKEOASOM-NRFANRHFSA-N 399.498 4.746 0 40 GJAB COc1cccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)c1 19690738 WMQWOWSHFMZLDL-DEOSSOPVSA-N 386.495 4.972 0 40 GJAB O=C(c1cccc2ncccc12)N1CCCCC[C@H]2N[C@H](Cc3ccccc3)C[C@@H]21 19712932 WQDDBIARKHHRDX-ZPZUNKDASA-N 399.538 4.593 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1OC 19934559 RWJOSDPBQUYBCM-GOSISDBHSA-N 399.531 4.734 0 40 GJAB CCCOc1ccc(N2C(=O)C[C@H](N(CCC(C)C)CCC(C)C)C2=O)cc1 20065868 GWURKFAHBSJFLB-NRFANRHFSA-N 388.552 4.502 0 40 GJAB O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S1 20457331 WDYXTDJYJKXEJG-NVNXTCNLSA-N 380.252 4.896 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2F)CC1 20460106 RFZHCUWWXHUGOZ-IBGZPJMESA-N 392.927 4.699 0 40 GJAB COc1ccc(CN(C)C(=O)c2ccccc2CCc2ccccc2)cc1OC 20461575 YSCSRVFUMDZYLZ-UHFFFAOYSA-N 389.495 4.761 0 40 GJAB O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 22766092 YZBHQADPQLNXKY-NRFANRHFSA-N 398.478 4.556 0 40 GJAB CC(C)c1ccc(CN2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1 22804609 ZUKBRFAXCUODOC-LJQANCHMSA-N 390.531 4.739 0 40 GJAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)Nc1ccc2c(c1)OCCCO2 29008072 YMRUZFPVYSNMEZ-VQHVLOKHSA-N 380.831 4.701 0 40 GJAB C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1cccc(F)c1 32753110 ACCABHSMSZTRDV-OAHLLOKOSA-N 392.434 4.909 0 40 GJAB Cc1cccc(NC(=O)COc2cccc(-c3nc(-c4ccccc4)no3)c2)c1 33012315 HWCMMKWDDPEDGV-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3)n2)cc1 33324959 QRGXKJQOFDCYES-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2cccc(F)c2)cc1 36247353 LQVCKSCQOGSBOG-UHFFFAOYSA-N 385.460 4.538 0 40 GJAB Cc1ccc(-c2csc(-c3nnn(-c4ccc(F)c(Cl)c4)c3N)n2)cc1 38486907 QHNCXAMJFFVEIJ-UHFFFAOYSA-N 385.855 4.741 0 40 GJAB CC(C)CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 44031595 YHUDFHWLXDIVAJ-CYBMUJFWSA-N 375.419 4.832 0 40 GJAB Cc1cc(Br)oc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 44308677 YJHMMQUKCWWHOY-LBPRGKRZSA-N 391.290 4.938 0 40 GJAB COCc1c(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)oc2ccccc12 45097533 UIPUOHSGHDXHBD-UHFFFAOYSA-N 379.441 4.680 0 40 GJAB CNC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1Cl 55904831 OUFSMQGMBJLWNQ-UHFFFAOYSA-N 392.842 4.576 0 40 GJAB O=C(Nc1ccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1)c1ccco1 58156904 LMFYSRQOAJNTRO-OAQYLSRUSA-N 386.451 4.824 0 40 GJAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCc1nc(-c2ccccc2)oc1C 58156994 IINBZCOAKFBYLQ-MRXNPFEDSA-N 398.890 4.738 0 40 GJAB C[C@H]1CCCCN1C(=O)c1cc(Cl)c(I)c(Cl)c1 59842956 NWSOOAUIRRYFQM-QMMMGPOBSA-N 398.071 4.613 0 40 GJAB CCN(CC)[C@H](CNC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1 69250326 WGJBOPYCNLSSOE-JUWJPQTCSA-N 379.529 4.509 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](O)c1cccc2ccccc12 70636063 SSFSDSLCYJOKFZ-RUZDIDTESA-N 381.475 4.899 0 40 GJAB Cc1nn(C(C)C)c(C)c1NC(=O)NC[C@@H](CC(C)C)N[C@@H](C)c1ccccc1 72277770 OIQZIBDZUKYRRS-LAUBAEHRSA-N 399.583 4.968 0 40 GJAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1 72348660 SFPIZZNOODMDHB-IBGZPJMESA-N 390.458 4.916 0 40 GJAB C[C@H]1Cc2cc(S(=O)(=O)Nc3ccccc3Sc3ccccc3)ccc2N1 78404114 HLAFMRZPSJHMHN-HNNXBMFYSA-N 396.537 4.995 0 40 GJAB COc1cc(CNc2cc([C@@H]3C[C@@H]3C)nn2-c2ccccc2)cc(OC)c1OC 95455326 HVZSOBCJUHDJDR-MAUKXSAKSA-N 393.487 4.634 0 40 GJAB O=C(NCC1(Sc2ccccc2)CCOCC1)c1cccc2ccccc12 96331033 AHCKHEYPVGRECQ-UHFFFAOYSA-N 377.509 4.911 0 40 GJAB Cc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1 102906844 RFYOEVQFUUQFQK-MAUKXSAKSA-N 389.318 4.692 0 40 GJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(OC)c(OC)c1 219299731 ATYHUMZZQGZZKU-APWZRJJASA-N 385.504 4.862 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)ccc1Cl 219609606 YZVXKEXMYUFJRY-KRWDZBQOSA-N 396.270 4.966 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)ccc1Cl 222969085 MQVIXZZLNCSPNA-SFHVURJKSA-N 389.879 4.930 0 40 GJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(C)cc2)cc1C(C)C 223322535 VXBVOFZBFBMRLY-QGZVFWFLSA-N 375.534 4.616 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCCC1 224875189 RBJQHHQYGFJKBP-CYBMUJFWSA-N 385.335 4.569 0 40 GJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1ccc(Cl)cc1 225312234 BTTWWRGXDMMDRI-UHFFFAOYSA-N 390.270 4.635 0 40 GJAB COc1ccc(CN2C[C@@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@]34C2)cc1 247889271 MJHIRDUYWMUNHY-PMOQBDJRSA-N 382.935 4.760 0 40 GJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260818229 YFWBUUGCLCQBOF-CVDCTZTESA-N 390.568 4.721 0 40 GJAB Cc1cccc(C)c1N1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 408671930 UNBQHAWJLOESEA-OAQYLSRUSA-N 385.463 4.929 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(F)cc2)cc1 408694999 NQRMQDZLSCRWNX-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3c4ccccc4C[C@@H]23)cc1 409002262 ZLZNNUBMNYOMPE-VSKRKVRLSA-N 399.446 4.642 0 40 GJAB CC[C@H](C)c1ccc([C@@H](NC(=O)c2cn3c(n2)COCC3)c2cccs2)cc1 623682692 YZLRFMLJCPSGPE-YCRPNKLZSA-N 395.528 4.508 0 40 GJAB O=C(C[C@]12CCCC[C@@H]1C2(F)F)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 665863172 YCAUUUPXTNUCKH-ILWGZMRPSA-N 395.453 4.984 0 40 GJAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 1534363667 LMXWUSZIXUCQAZ-VIFPVBQESA-N 393.739 4.721 0 40 GJAB O=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 793417 XXSRZDSMXUBXQA-UHFFFAOYSA-N 383.801 4.713 0 40 GJAB Cc1cc(C)c2nc3sc(C(=O)Nc4ccc5c(c4)OCO5)c(N)c3cc2c1 1342952 DTFSFHACLHYWCE-UHFFFAOYSA-N 391.452 4.630 0 40 GJAB CCCN(C(=O)c1ccccc1C)c1nnc(-c2cc(OC)cc(OC)c2)s1 1356606 QJKTWDYPCMKBSS-UHFFFAOYSA-N 397.500 4.588 0 40 GJAB COc1ccccc1[C@]1(CCNC(=O)c2cccs2)CCO[C@H](C(C)C)C1 2147280 BBCRVOCQADCCJZ-SIKLNZKXSA-N 387.545 4.650 0 40 GJAB biogenic Cc1ccc(-n2c(=O)c3c4c(sc3n3cnnc23)C[C@H](C(C)(C)C)CC4)cc1 2288221 MHESBTSARFOFCO-CQSZACIVSA-N 392.528 4.554 0 40 GJAB O=C(Nc1ccccc1Sc1ccc(Cl)cc1)c1cc2ncccn2n1 2788214 AKFAMVJBCAVENL-UHFFFAOYSA-N 380.860 4.786 0 40 GJAB COc1ccc2c(c1)c(C(=O)CNc1nccs1)c(C)n2Cc1ccccc1 3202786 ULJGYTSCMUVWBC-UHFFFAOYSA-N 391.496 4.758 0 40 GJAB COc1ccc(-c2cc(C(=O)O[C@H]3CCCCC3=O)c3ccccc3n2)cc1 3303607 CQMYEGKQCFBQJB-QFIPXVFZSA-N 375.424 4.579 0 40 GJAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(C)s1 3336663 ADMLWGCSDRNLKI-UHFFFAOYSA-N 385.316 4.854 0 40 GJAB COc1ccc(C(C)(C)C)cc1NCC(=O)Nc1ccccc1Br 5688433 DDWFSCOWNCDLLG-UHFFFAOYSA-N 391.309 4.806 0 40 GJAB COc1ccc(NC2=NN=C(c3ccc(Cl)cc3Cl)CS2)cc1OC 5939237 TUBCTOYUFJBJGQ-UHFFFAOYSA-N 396.299 4.930 0 40 GJAB Cc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)n1-c1ccccc1 6110296 FTUIWCJOECOSEM-UHFFFAOYSA-N 378.284 4.858 0 40 GJAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccc(Br)c1 6615110 MOXJIMSHFWMMAH-UHFFFAOYSA-N 379.685 4.955 0 40 GJAB Cc1occc1C(=O)OCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1 6852659 RLWGMUAYTJCHOD-LJQANCHMSA-N 393.464 4.625 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 7504936 AJZLCBVAWPICSQ-UHFFFAOYSA-N 380.488 4.886 0 40 GJAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)no1 7635663 OGQOYFHRRSUPIG-AWEZNQCLSA-N 390.468 4.713 0 40 GJAB Cc1ccc(CC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1 7759438 LAAWFDQZNDUOCZ-UHFFFAOYSA-N 389.499 4.949 0 40 GJAB O=C(COc1ccc(Cl)cc1)N1CCc2sccc2[C@H]1c1ccccc1 8115181 AALRITCPWBHBCJ-OAQYLSRUSA-N 383.900 4.955 0 40 GJAB CC(C)c1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 8231472 SWPKJJNJXGEFHF-UHFFFAOYSA-N 382.441 4.564 0 40 GJAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2cc(Cl)ccc2o1 8349989 IBLSQAHRYRZBNG-CYBMUJFWSA-N 380.835 4.500 0 40 GJAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)N1CCc2ccccc21 8854021 VORYSNKTSCHXEA-UHFFFAOYSA-N 384.501 4.706 0 40 GJAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(N3CCOCC3)cc2)cc1 8991194 XADRGOBMBQXLCV-DEOSSOPVSA-N 399.494 4.603 0 40 GJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccc(F)c(F)c3)ccc1O2 9135393 CSIILKRFPKNKKM-UHFFFAOYSA-N 394.377 4.908 0 40 GJAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccco2)c(C)c1 9462134 BGRGVBHJHYATRH-UHFFFAOYSA-N 386.451 4.893 0 40 GJAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccc2c(c1)OCO2 9888792 VSLIZQPVUJDARC-UHFFFAOYSA-N 377.440 4.630 0 40 GJAB Cc1cc(C)cc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)c1 10213736 SSCFBMAZLVNTHT-UHFFFAOYSA-N 378.455 4.715 0 40 GJAB COc1ccc2c(CC(=O)N[C@H](c3ccccc3)c3cccs3)coc2c1 10220084 CFEFMRUPGJKQDW-JOCHJYFZSA-N 377.465 4.951 0 40 GJAB O=C1C[C@H](C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c2ccccc2N1 10643063 IIJFSFJKYYSPJC-SIKLNZKXSA-N 390.870 4.672 0 40 GJAB CCOC(=O)Nc1ccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1 12892518 QCKACJZEYXWTKG-UHFFFAOYSA-N 382.391 4.584 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(O)c(Br)c2)N1Cc1ccco1 15248786 XYJFZNJADDUGJS-GOSISDBHSA-N 399.244 4.514 0 40 GJAB CN(C)C(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 16013564 BJOUMLJBDPAFRD-NRFANRHFSA-N 390.508 4.861 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3Cl)n2)cc1 18945218 FTITUDNEYOOJLB-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 22519629 IHYDMWJGXHLWEQ-UHFFFAOYSA-N 394.559 4.680 0 40 GJAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccco3)c2)o1 23017268 OYYVJSCYQSEGSK-QPGDCOPXSA-N 376.412 4.900 0 40 GJAB Cc1nc(CC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cs1 24038881 WZNQDMDRCPAPSX-UHFFFAOYSA-N 398.340 4.987 0 40 GJAB CCOc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1OCc1cccnc1 24442460 NUMUYJBNTCGICQ-QGZVFWFLSA-N 388.467 4.651 0 40 GJAB CCSc1ncc(Br)c(C(=O)Nc2ccc3ccccc3c2)n1 27743705 UHNPHIXXKOGSPJ-UHFFFAOYSA-N 388.290 4.757 0 40 GJAB CCOCc1ccccc1CNC(=O)c1cc(-c2ccccn2)nc2ccccc12 30179325 QQOOEOQPFQYXAB-UHFFFAOYSA-N 397.478 4.763 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1Cl 30857758 IKUQATPDQJIZAH-LLVKDONJSA-N 382.243 4.576 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Cc1ccccc1F 32525080 XTEQWLCNCOKIAO-UHFFFAOYSA-N 399.897 4.542 0 40 GJAB O=C(CCc1ccc(F)cc1)N1CCc2nc(-c3cccc(F)c3)sc2C1 36752151 ZJRANOWRIOPXRD-UHFFFAOYSA-N 384.451 4.606 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 38753133 VMPOJFYBAHFAMC-CYBMUJFWSA-N 375.852 4.656 0 40 GJAB Cc1c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)ccn1CCC(C)C 40284957 SIABYMAYTDETPX-UHFFFAOYSA-N 397.302 4.527 0 40 GJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)C1 44906425 VYLOVHXSZYCOQU-GOSISDBHSA-N 384.951 4.935 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1[nH]c2ccc(F)cc2c1Cl 56441287 FEEBFPDHTLDOGL-IBGZPJMESA-N 379.822 4.875 0 40 GJAB CCCCc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 59488484 STMLXOVTDIJDJP-QGZVFWFLSA-N 384.907 4.983 0 40 GJAB O=C(c1ccc(Cl)s1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 60389144 DVUMRHVOTBEILX-UHFFFAOYSA-N 394.283 4.910 0 40 GJAB COC(=O)c1c(NC(=O)c2cc(F)c(Cl)cc2Cl)sc2c1CCC2 61049804 XZKAOXVSPGIQJT-UHFFFAOYSA-N 388.247 4.722 0 40 GJAB c1csc(-c2noc(CCCSc3nnc(C4CCCCC4)o3)n2)c1 70006702 KAXKWMDSVVJOGZ-UHFFFAOYSA-N 376.507 4.954 0 40 GJAB Clc1ccc(-c2nn3c(CN4CCCCCC4)nnc3s2)cc1Cl 71260589 RIQVFONAAVEJCJ-UHFFFAOYSA-N 382.320 4.536 0 40 GJAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C[C@H](O)c1ccc(OC(F)(F)F)cc1 84718150 MTLCJTGEUVTNQR-YJYMSZOUSA-N 390.405 4.719 0 40 GJAB COc1ccc2[nH]c(CSc3nnc(-c4ccc(C(C)(C)C)cc4)o3)nc2n1 95468100 HWKFXLYUIVWTLO-UHFFFAOYSA-N 395.488 4.606 0 40 GJAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCCc1ccncc1 95473761 AOCUGNJAOHOLGG-UHFFFAOYSA-N 392.311 4.793 0 40 GJAB Cc1cccnc1NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 95475954 VPVBMSKMTZNIJF-UHFFFAOYSA-N 390.439 4.739 0 40 GJAB CCn1c(SCC2(OCCCOC)CCCC2)nnc1-c1cccc(C)c1 96010379 NXOKHPBDDQPQQK-UHFFFAOYSA-N 389.565 4.731 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 96589853 GPDJONMNHYHANA-GXTWGEPZSA-N 377.271 4.542 0 40 GJAB Cc1ccc(Cl)c(NS(=O)(=O)c2c(C)nn(C(C)(C)C)c2C)c1Cl 97143801 AMSBHYVDZBXVDD-UHFFFAOYSA-N 390.336 4.671 0 40 GJAB Cc1cccn2cc(-c3ccccc3NC(=O)Cc3noc4ccccc34)nc12 206900927 KWPRNSVEWUQYEU-UHFFFAOYSA-N 382.423 4.632 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cncc(-c2ccsc2)c1 206944328 RQLUWZZXENAGSR-UHFFFAOYSA-N 386.904 4.937 0 40 GJAB CC[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc2c(c1)CCCC2 223138432 DRPLTVLRRZVDED-HXUWFJFHSA-N 387.545 4.620 0 40 GJAB CCCC[C@@H](CC)CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 225121824 DIJQQHDPXIUNRV-MNTXUITRSA-N 384.545 4.852 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225516150 PEWWKRQTILITKU-SFHVURJKSA-N 395.572 4.620 0 40 GJAB Nc1cc(Br)ccc1NC(=O)C(c1ccccc1)c1ccccc1 226346926 IIOCDNIKMVYTBW-UHFFFAOYSA-N 381.273 4.802 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 243391516 MMOHYYPDSMGQGV-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB O=C(c1cncs1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257228178 FSQZEFXXHNOMJC-MRXNPFEDSA-N 387.892 4.743 0 40 GJAB Cc1cncnc1[C@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 257277731 NZDPZEJNYMZVOX-JOCHJYFZSA-N 387.483 4.877 0 40 GJAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccccc1F 408555071 GZMPPQPVIPYWPN-UHFFFAOYSA-N 394.446 4.854 0 40 GJAB Cc1cccc(CSCCNC(=O)CSCc2ccccc2Cl)c1 408926029 MZJGZOMLNGNTFU-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB Cc1csc(-c2ccc(NC(=O)N[C@H]3CCCO[C@@H]3c3ccncc3)cc2)n1 503041168 LDROAPPPWHUAOW-RBUKOAKNSA-N 394.500 4.555 0 40 GJAB CC1(c2cc(NC(=O)N[C@@H](Cc3ccccc3)c3ncco3)no2)CCCC1 654055102 ZONCKWXORLKACW-INIZCTEOSA-N 380.448 4.600 0 40 GJAB O=C(NCc1ccc2occc2c1)Nc1ccc2c(c1)CN(CC(F)(F)F)C2 667219472 WPUOHXPPTHZLTL-UHFFFAOYSA-N 389.377 4.632 0 40 GJAB COC1CCC(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)CC1 681964144 GPXHAPYMDJIBBR-UHFFFAOYSA-N 398.450 4.896 0 40 GJAB Cc1cccc(Oc2coc3cc(O[C@@H](C)C(=O)OCC(C)C)ccc3c2=O)c1 942546 JBYHIWCOTILTEG-INIZCTEOSA-N 396.439 4.860 0 40 GJAB biogenic CCOC(=O)c1sc(NC(=O)/C=C/c2c(Cl)cccc2Cl)nc1C 957069 YQIQOKMNXABQCJ-BQYQJAHWSA-N 385.272 4.587 0 40 GJAB Cc1nc(SCC(=O)N2c3ccccc3C[C@H]2C)c2c(C)c(C)sc2n1 1340326 VAOUJWOMKMRDCE-LLVKDONJSA-N 383.542 4.686 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O 1359354 MBEOTADUQUPPHJ-UHFFFAOYSA-N 382.891 4.683 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2F)cc1OC 2140797 IYYDYVXYNOHBMF-UHFFFAOYSA-N 382.229 4.638 0 40 GJAB CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC(C)(C)SC2 2271322 ASVUOCNXMFVSQB-UHFFFAOYSA-N 389.542 4.674 0 40 GJAB Cc1cc(C)n(-c2nc(NCc3ccco3)c3c4c(sc3n2)CCCC4)n1 2344098 SGLJFPCBMQPKCA-UHFFFAOYSA-N 379.489 4.578 0 40 GJAB CC(=O)c1ccc(OC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 2375429 HZFUTFNJVNWQGU-UHFFFAOYSA-N 384.391 4.825 0 40 GJAB Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1C 2387965 JHVYIFLMAVEGIO-UHFFFAOYSA-N 379.316 4.875 0 40 GJAB Cc1sc2ncnc(S[C@H](C)C(=O)NCCC3=CCCCC3)c2c1C 2624007 OULODZNTNJRLEO-CQSZACIVSA-N 375.563 4.795 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 2625358 IXNYYSHSNQIDNV-UHFFFAOYSA-N 389.842 4.600 0 40 GJAB O=c1cc(CSc2nnc(-c3ccccc3)o2)c2cc3c(cc2o1)CCC3 3515833 STPIJLYTQWFUCC-UHFFFAOYSA-N 376.437 4.624 0 40 GJAB CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)c1ccccc1 3995703 AEJOEPSMZCEYJN-FQEVSTJZSA-N 391.342 4.831 0 40 GJAB in-vivo CCOc1cccc2sc(NC(=O)c3ccc(Br)s3)nc12 4070189 ZQJKZGPQUSQCOF-UHFFFAOYSA-N 383.292 4.771 0 40 GJAB aggregator S=C(Nc1ccccc1Cl)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccco1 4888046 AFLJGFNCKSEUNX-MQVJKMGUSA-N 389.952 4.805 0 40 GJAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1ccc(-c2ccccc2)cc1 5681526 KGGYTWYACJPFRV-QHCPKHFHSA-N 388.492 4.699 0 40 GJAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NCc4ccccc4)cc3)ccc12 6201239 HRNVEPDOINMWOW-UHFFFAOYSA-N 399.446 4.610 0 40 GJAB Cc1ccc2[nH]c(SCC(=O)Nc3nc(C)c(Cl)cc3Cl)nc2c1 6516891 WBJYZAMUXPMQIH-UHFFFAOYSA-N 381.288 4.612 0 40 GJAB Cc1cccc(OCC(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)c1 6809650 JENHMSSSZJRBDJ-UHFFFAOYSA-N 392.432 4.814 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2cccc(C)c2)c(OC)c1 7601396 DAPNVWYZKKMDJE-UHFFFAOYSA-N 398.532 4.533 0 40 GJAB COCCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccccc1)CCCC3 7847634 BBQZOVOEWJNENF-UHFFFAOYSA-N 381.497 4.954 0 40 GJAB Cc1cccc(CN2CCC(C(=O)NCCSCc3ccccc3C)CC2)c1 9063029 XATDPPCGCCLYTJ-UHFFFAOYSA-N 396.600 4.565 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(/C=C/c2ccc(Cl)cc2)s1 9332935 NHCMTEPDFMYVLU-SRXBQZRASA-N 385.876 4.768 0 40 GJAB Cc1ccc2c(CC(=O)NC[C@H](c3cccs3)N3CCCC3)coc2c1C 9336190 VWECNSLQIGRDEY-LJQANCHMSA-N 382.529 4.607 0 40 GJAB COc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)cc1 10156632 YXCDIIGBMIAMQA-HNNXBMFYSA-N 377.419 4.589 0 40 GJAB O=C(NCCCN1CCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 10277071 USCFZBBQFDTBDD-DYTRJAOYSA-N 382.935 4.873 0 40 GJAB CC(=O)Nc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1 11180682 JYUNASXKONSXRI-UHFFFAOYSA-N 377.469 4.784 0 40 GJAB COc1ccc2cc([C@H](C)C(=O)NCc3ccc(OC(F)F)cc3)ccc2c1 11512396 FJLASMYPZSYVNZ-AWEZNQCLSA-N 385.410 4.870 0 40 GJAB CCCCOc1ccc(-c2nonc2NC(=O)COc2cccc(C)c2C)cc1 11914903 KFZHPBRIJMCKAO-UHFFFAOYSA-N 395.459 4.550 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)COc3cc(C(C)C)ccc3C)o2)cs1 12618717 AGSSWKVEGDGCRX-UHFFFAOYSA-N 384.501 4.839 0 40 GJAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 12853760 CYRVSKABEBBUGX-QGZVFWFLSA-N 386.300 4.528 0 40 GJAB CCCOC(=O)c1ccc(Oc2c(-c3ccc(OCC)cc3O)n[nH]c2C)cc1 17919855 BQNYKFQPAGGIRM-UHFFFAOYSA-N 396.443 4.849 0 40 GJAB Cc1ccc2c(COC(=O)CCSc3ccc(F)c(F)c3)cc(=O)oc2c1 19613574 PLQRLHSHVWPHGV-UHFFFAOYSA-N 390.407 4.605 0 40 GJAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 20491971 ZSFPIENZXWMFDJ-SFHVURJKSA-N 394.515 4.842 0 40 GJAB Cc1noc(C)c1CSCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 21272794 SPEVPRYBLSFQMH-UHFFFAOYSA-N 395.456 4.565 0 40 GJAB CSc1ccccc1C(=O)Nc1nc(CN2CCc3ccccc3C2)cs1 21681489 MIXLAFMZNWNPFC-UHFFFAOYSA-N 395.553 4.676 0 40 GJAB C[C@@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 21796115 QTCZIIMWGLGSEB-VXGBXAGGSA-N 386.801 4.916 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 22186640 TZCQLYAKKUYNRD-UHFFFAOYSA-N 390.483 4.722 0 40 GJAB O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCCc2ccccc21 22913893 RJNIKIFOMYUPOO-UHFFFAOYSA-N 382.507 4.838 0 40 GJAB C[C@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)c1ccc(Cl)cc1 24141067 NPVJUDDNWFPZEW-VIFPVBQESA-N 385.798 4.765 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1N1CCCCC1 25051911 VQJXESMWXNMOOD-HSZRJFAPSA-N 389.499 4.580 0 40 GJAB O=C(Cc1coc2cc3c(cc12)CCC3)NCc1csc(-c2ccccc2)n1 26788184 WWLIIBUGCKNRKM-UHFFFAOYSA-N 388.492 4.904 0 40 GJAB COc1ccc2nc(C)c(C(=O)N(C)CC34CC5CC(CC(C5)C3)C4)cc2c1 30135119 MUNAJUTWRQEWBI-UHFFFAOYSA-N 378.516 4.840 0 40 GJAB CCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1OCC 31032513 OKQKWZIGTDSACC-UHFFFAOYSA-N 381.472 4.574 0 40 GJAB Cc1nc(CSc2ccccc2C(=O)N2CC=C(c3ccccc3)CC2)no1 31111421 OMEQTUBNLQFYTB-UHFFFAOYSA-N 391.496 4.600 0 40 GJAB CSc1cccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccccc4)nn32)c1 32087408 JDEGECYUQDRCGS-KRWDZBQOSA-N 392.484 4.752 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCCC2=O)cc1 32644239 YYCWLFBJETVYDW-UHFFFAOYSA-N 377.271 4.758 0 40 GJAB CNC(=O)Nc1ccc(NC(=O)c2ccccc2Nc2ccc(F)cc2)cc1 32903366 PGWNEVRNHMTNFA-UHFFFAOYSA-N 378.407 4.573 0 40 GJAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1c[nH]c(=S)n1-c1ccccc1 32908657 ZAPSVFGECJKWMD-UHFFFAOYSA-N 391.418 4.826 0 40 GJAB CSc1nc2ccc3nc(NC(=O)c4ccn(C(C)C)n4)sc3c2s1 36701806 RUVJARIAXWNSSC-UHFFFAOYSA-N 389.531 4.658 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccc(F)cc2)CC1 39749102 LWBUSNFROYGCII-UHFFFAOYSA-N 380.385 4.695 0 40 GJAB C[C@H]1C[C@H](C)CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)C1 39844547 MHCWUJPPBJEWTP-IRXDYDNUSA-N 396.512 4.657 0 40 GJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 40103403 YCSOXMWDWKDOHX-CQSZACIVSA-N 391.874 4.541 0 40 GJAB COc1ccc2[nH]c(=O)c(CNc3ccc(N4C[C@@H](C)C[C@H](C)C4)cc3)cc2c1 57718380 JYNXUVWLFSXVJX-IRXDYDNUSA-N 391.515 4.631 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccccc3Cl)C2=O)cc1 59419030 ASJKQRDLJZPOES-GZTJUZNOSA-N 388.876 4.845 0 40 GJAB Cc1csc(-c2ccc(C(=O)NC(C)(C)c3ccc4c(c3)OCO4)cc2)n1 65515721 ZUYCYCQNTONMSJ-UHFFFAOYSA-N 380.469 4.512 0 40 GJAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2F)n1 67296760 RYLCOIPPONHOGG-ROMGYVFFSA-N 391.377 4.899 0 40 GJAB CCC(CC)(C(=O)N1CCC(N(C)CC(F)F)CC1)c1ccc(Cl)cc1 72301413 UNGONUHGSQGLIJ-UHFFFAOYSA-N 386.914 4.586 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72348675 RRCMSNLDOKLDKV-IBGZPJMESA-N 392.449 4.970 0 40 GJAB O=C(Cc1ccccn1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349474 HPXMISQJWDKCNT-SFHVURJKSA-N 391.902 4.746 0 40 GJAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CC4(CCCCC4)C3)ccc21 96003912 VVFOHUNWAORSNM-OAQYLSRUSA-N 375.468 4.547 0 40 GJAB CC(=O)Nc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)ccc1C 97405113 WHVSWPWDVZWSIS-UHFFFAOYSA-N 383.835 4.823 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(-c2cc3ccccc3o2)cc1 100221597 ZPRFWGVOJIMMSJ-WYIZHRONSA-N 381.431 4.657 0 40 GJAB Cc1ccc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)c2ccccc2C)C3)cc1 100426288 ORDHVRKHJKKGBF-SFTDATJTSA-N 391.515 4.651 0 40 GJAB O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc(Cl)cc1F 156911044 YLGIRFHIFURFFL-UHFFFAOYSA-N 385.613 4.619 0 40 GJAB CN(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1Br 218878885 VDDBUNPVDNQWKR-UHFFFAOYSA-N 390.321 4.784 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223379071 SGZDQWKZSIBCIB-LEWJYISDSA-N 390.556 4.811 0 40 GJAB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(OC)c(C)c1 224367915 ZNNKZXHJSYCNRV-HNNXBMFYSA-N 388.316 4.740 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(Cl)cc1 225111140 SWIYKNBHVAMARJ-NRFANRHFSA-N 387.907 4.571 0 40 GJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1 225172353 JYWITNKUWHNJJI-SFHVURJKSA-N 386.495 4.957 0 40 GJAB COc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)c2ccccc12 225921649 CJIDUJNJZBOUQH-UHFFFAOYSA-N 383.469 4.600 0 40 GJAB CSc1ccccc1C(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390830725 MXGGJDFFQVHQBE-UHFFFAOYSA-N 397.466 4.709 0 40 GJAB O=C(c1ccccc1-c1ccccc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 408606589 IVXMRAYXBKEWJU-HSZRJFAPSA-N 382.507 4.626 0 40 GJAB CC(C)c1ccc(C(=O)Nc2ccc(I)cc2F)cc1 408620612 HTQJNMIGDYDATP-UHFFFAOYSA-N 383.204 4.806 0 40 GJAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2cccc3ccncc23)cc1 585091699 AEBXXWQXMGZJIM-UHFFFAOYSA-N 396.446 4.776 0 40 GJAB CCC(=O)N1CCC2(CCCCc3ccccc3OCCN(CC3CC3)C2)CC1 643570783 RIMIONAZZOWPTN-UHFFFAOYSA-N 398.591 4.523 0 40 GJAB COc1cc(-c2nc(O)c3c(n2)S[C@@H]2CCCCC[C@@H]32)ccc1OC(F)F 1505840484 WWLTUTOICKGHLC-BXUZGUMPSA-N 394.443 4.981 0 40 GJAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1cccs1 645127 QIUAPNDNBWIIPX-UHFFFAOYSA-N 381.276 4.536 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4cc(OC)ccc4C)c(N)c3cc2C1 661857 VNUCIKODVQQKFT-CYBMUJFWSA-N 395.528 4.963 0 40 GJAB Cc1cc(C)cc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C(=O)O)c1 799528 RFWOUCYBEZXBDI-RDTXWAMCSA-N 393.405 4.840 0 40 GJAB CCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 954892 UNCVERUEULCBBY-UXBLZVDNSA-N 378.255 4.751 0 40 GJAB CC1=CC[C@@](C(=O)O)(C(=O)NCc2ccccc2)[C@H](c2ccc(Cl)cc2)C1 1085991 WQJKFIJPSPUYME-UGKGYDQZSA-N 383.875 4.551 0 40 GJAB COc1cccc(C(=O)CSc2nc(C)nc3sc4c(c23)CCCC4)c1 1223148 JJXONMRZKZOTTO-UHFFFAOYSA-N 384.526 4.862 0 40 GJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)ccc1OC 1339962 KQEAKFLXFCUTFS-UHFFFAOYSA-N 396.512 4.854 0 40 GJAB CCOC(=O)c1cnc(SCc2ccc(Cl)cc2Cl)nc1Cl 1689470 ZDGWAUNVURHYEO-UHFFFAOYSA-N 377.680 4.906 0 40 GJAB CCCCCn1c(O)c(C(=O)Nc2ccc(Cl)cc2)c(=O)c2ccccc21 2588013 AQESREBWWHWMKM-UHFFFAOYSA-N 384.863 4.803 0 40 GJAB Cc1ccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)cc1 3100247 WSBMAWMMGYQSBL-UHFFFAOYSA-N 391.496 4.835 0 40 GJAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1c(F)cccc1F 3235674 KMDHFYJKIHBGOY-UHFFFAOYSA-N 395.405 4.669 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H](NCc2ccc3c(c2)OCO3)c2ccccc2)c1 3351485 KMVJNMSFIRSGRR-QHCPKHFHSA-N 388.467 4.502 0 40 GJAB Fc1ccccc1N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 3352007 HYHJXIMSPXTCGI-UHFFFAOYSA-N 390.487 4.824 0 40 GJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4735556 QQWSGQMKLRRUEY-HXUWFJFHSA-N 379.435 4.808 0 40 GJAB Cc1ccc2c(c1)[C@H]1CC(c3ccccc3Cl)=NN1C1(CCN(C)CC1)O2 5478181 PHWVKCMOJDUEQQ-HXUWFJFHSA-N 381.907 4.614 0 40 GJAB CC[C@H](CO)Nc1nc(SC(C)C)nc2sc3c(c12)C[C@](C)(CC)OC3 5478288 JILNONVUMCULFI-BLVKFPJESA-N 395.594 4.616 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 5902838 JPMQQKKBQXJPPV-UHFFFAOYSA-N 394.283 4.803 0 40 GJAB O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccc(Cl)cc1 6485578 CKTOMMSIKNPPGI-UHFFFAOYSA-N 388.659 4.963 0 40 GJAB O=C(c1cc2ccccc2o1)N(C1CC1)C1(C(=O)Nc2ccccc2)CCCC1 6566367 NZANNGPGAPLRRA-UHFFFAOYSA-N 388.467 4.989 0 40 GJAB COc1ccc(-c2nnc(SC[C@H]3CCCCO3)n2-c2ccc(C)cc2)cc1 6610419 UVYGQCRTZOKCKU-HXUWFJFHSA-N 395.528 4.913 0 40 GJAB CCN1C(=O)S[C@H](Cc2ccccc2OCc2ccccc2Cl)C1=O 6952958 LNVFEWDPKKMOFA-QGZVFWFLSA-N 375.877 4.545 0 40 GJAB COc1ccccc1NC1=NN=C(c2cc(C)n(Cc3ccco3)c2C)CS1 7849591 XESZGVMVVNCRJU-UHFFFAOYSA-N 394.500 4.674 0 40 GJAB CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)CC)cc2)CC1=O 7929379 RQPFNYAJJFFWJG-QGZVFWFLSA-N 395.499 4.731 0 40 GJAB c1cncc(-c2nc(NC[C@@H](c3ccco3)N3CCCCC3)c3ccccc3n2)c1 8063503 RKQBPVPSBJXPEK-NRFANRHFSA-N 399.498 4.924 0 40 GJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2noc(-c3ccccc3)c2c1 8131368 BMJTWHTWDWJUHZ-UHFFFAOYSA-N 399.450 4.584 0 40 GJAB Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1NC(=O)c1ccco1 8345476 LFJVCDHKVSVAHE-UHFFFAOYSA-N 386.451 4.770 0 40 GJAB Cc1ccc(SCC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 8907721 PLKSAQKRGXADBL-UHFFFAOYSA-N 376.481 4.978 0 40 GJAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccco4)ccc3c2C)cc1 9419793 AWNYWYACIFYIPX-UHFFFAOYSA-N 375.380 4.826 0 40 GJAB Cc1cc(C)cc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccc3c(c2)OCO3)c1 9547781 CHEPBOUOCOHTQI-KRWDZBQOSA-N 375.428 4.650 0 40 GJAB CC(C)[C@@H](NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 10494344 BJMKBISJLQIDBO-GOSISDBHSA-N 394.302 4.628 0 40 GJAB CCCCOc1ccc(-c2nonc2NC(=O)COc2c(C)cccc2C)cc1 11914172 YVFJLCHHFCWOIP-UHFFFAOYSA-N 395.459 4.550 0 40 GJAB CC(C)c1cc(C(=O)N2CCc3ccccc32)nn1-c1nc2ccccc2s1 12223601 JMPGKPPHSIDIKD-UHFFFAOYSA-N 388.496 4.808 0 40 GJAB COc1ccc(-c2nc(CSc3nc(O)c4ccccc4n3)c(C)o2)cc1 12372648 KTOSPVKPMBOSMG-UHFFFAOYSA-N 379.441 4.600 0 40 GJAB biogenic,in-vitro Cc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c(F)c1 12559677 UQDMOFXNMCGXHE-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1N1CCCC1=O 12775231 ZJLCDOZHZMMGIY-UHFFFAOYSA-N 398.768 4.618 0 40 GJAB Cc1nn(-c2cccc(Cl)c2C)c2c1[C@H](c1ccc(C(=O)O)cc1)CC(O)=N2 13692318 IBIXKFCRWXQVEU-HNNXBMFYSA-N 395.846 4.964 0 40 GJAB CCCn1c(S[C@@H](C)C(=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 14112273 MNNWPGJDFOBLRO-ZDUSSCGKSA-N 386.904 4.823 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Br)c1 15094174 QNCJYFRATGUJFT-NSHDSACASA-N 375.291 4.892 0 40 GJAB O=C(CSc1ccc(Br)cc1)N1CC=C(c2ccccc2)CC1 15949522 KRXODILYIVUGGS-UHFFFAOYSA-N 388.330 4.857 0 40 GJAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(Br)cc1Cl 17365020 JFOVZQYRBRTAFO-UHFFFAOYSA-N 392.684 4.653 0 40 GJAB CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)Cc3cccc(F)c3)cc2)C1 19711933 SXVLNPXYGBFCMD-RPWUZVMVSA-N 398.522 4.546 0 40 GJAB Cn1c(C(F)(F)F)nc2cc(NC(=O)c3ccc4c(c3)ncn4C3CC3)ccc21 19714327 MOPUHNZWVSMDKM-UHFFFAOYSA-N 399.376 4.529 0 40 GJAB Cc1nc([C@@H]2CCCN2C2CCCC2)nc2c1CCC(=O)N2CC1CCCCC1 19743195 IBKPMNZOLZLXKD-NRFANRHFSA-N 396.579 4.724 0 40 GJAB COc1cccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1OC 19927095 DINIGNLJENMPFT-QGZVFWFLSA-N 383.391 4.501 0 40 GJAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCc2ccccc2C1 20121045 DTIUACGNDIJLIZ-HXUWFJFHSA-N 395.938 4.619 0 40 GJAB COc1ccc(CSCC(=O)NCCSCc2ccc(Cl)cc2)cc1 20237780 VHEPIFOPKGNKOW-UHFFFAOYSA-N 395.977 4.631 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(C(=O)OC)ccc1C 20486914 UOVBLCQNTAOVBA-HXUWFJFHSA-N 377.440 4.731 0 40 GJAB COc1ccc(CN(C)C(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 22519718 TYDQSPKNMSTRFZ-UHFFFAOYSA-N 384.328 4.894 0 40 GJAB CCc1cccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c1 23118972 ZQSUIHJSGYLRCL-UHFFFAOYSA-N 388.496 4.690 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 24615285 GVNIGJXMBUZQOV-UHFFFAOYSA-N 377.315 4.583 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32094270 OPDKHAFNTKKRIC-INIZCTEOSA-N 384.798 4.514 0 40 GJAB COc1ccc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=O)oc2c1 33809263 OHQPBAXSXQINRV-UHFFFAOYSA-N 397.736 4.726 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820771 DXOCDBGWDZAYRQ-KRYSTCSFSA-N 390.564 4.686 0 40 GJAB biogenic COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCC(F)(F)F)cc1 39994054 FOUKSIBOLDIBBM-UHFFFAOYSA-N 377.362 4.882 0 40 GJAB Cc1cccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc45)[nH]n3)CC2)c1 44838771 JSCAILNSBQUDGK-UHFFFAOYSA-N 396.494 4.501 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c2)[nH]c1C 48302485 CWUIOBWGFYCOKF-OAQYLSRUSA-N 391.471 4.504 0 40 GJAB CC(=O)N(c1ccc(F)cc1)c1nc(CSc2ncc3ccccn23)cs1 48356482 HECAZBOOWCOIDN-UHFFFAOYSA-N 398.488 4.907 0 40 GJAB Cn1c([C@@H]2CCCCN2C(=O)Cc2c(F)cccc2Cl)nc2ccccc21 54665911 AZEWSSGSDNHQPZ-IBGZPJMESA-N 385.870 4.662 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(Cc1ccccc1Cl)CO2 55393763 GTECHBYRWZULSQ-UHFFFAOYSA-N 395.886 4.986 0 40 GJAB C[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccsc1 56956161 AMTUNQDDCKKLOU-AWEZNQCLSA-N 393.464 4.977 0 40 GJAB Cc1cc(C)nc(SCC(=O)Nc2ccccc2N2CCc3ccccc32)n1 59849902 BQEVEHIXIOIUNM-UHFFFAOYSA-N 390.512 4.518 0 40 GJAB C[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccs1 64033634 OSWMDPPZIJSRAP-AWEZNQCLSA-N 393.464 4.977 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSc1ccc(NCc2ccccc2)nn1 64944786 IGYUWYCPTMZUQJ-UHFFFAOYSA-N 398.919 4.781 0 40 GJAB Cc1cc(C)nc(Sc2ccc(NC(=O)CCc3ccc(F)cc3)cc2)n1 65586094 NWFFBUDQKXQHKC-UHFFFAOYSA-N 381.476 4.955 0 40 GJAB CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)c1ccccc1 67889957 RXGRORHMWPDRQC-GCJKJVERSA-N 390.483 4.641 0 40 GJAB biogenic,in-vitro CC(C)CCc1noc(C2(c3cccc(Br)c3)CCOCC2)n1 69973098 SBOWMOXUVZPEHQ-UHFFFAOYSA-N 379.298 4.517 0 40 GJAB O=C(Cc1csc(-c2cccnc2)n1)N1C[C@H]2CCCC[C@]21c1ccccc1 79103523 RHBNBZDNQOZRTA-XXBNENTESA-N 389.524 4.676 0 40 GJAB O=C(CSCc1ccccc1)N1CCC(CSCc2ccco2)CC1 90608365 DLHVLZNCPAUPOI-UHFFFAOYSA-N 375.559 4.685 0 40 GJAB CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 96053312 YRJFWSKEAHMOAJ-IBGZPJMESA-N 398.572 4.564 0 40 GJAB COc1cccc(NC(=O)c2ccccc2NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 102329048 YQQNHGIAXXHICB-ULQDDVLXSA-N 378.472 4.712 0 40 GJAB Cc1cccc(N2C(=O)/C(=C\Nc3ccc(C)c(C)c3)c3ccccc3C2=O)n1 102330760 GORUEFBESBMGCN-STZFKDTASA-N 383.451 4.647 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 219291210 CAXHKILDXNWKCU-INIZCTEOSA-N 375.896 4.644 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1cc(C)ccc1C 219375743 QVYRFUONNVYXRE-OAQYLSRUSA-N 383.532 4.999 0 40 GJAB Cc1cccc(N2CCN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC2)c1C 225334063 ONOUAFOLNHUAAL-UHFFFAOYSA-N 391.342 4.892 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c1 225537093 MTAFBDKUNUUMJO-ZDUSSCGKSA-N 376.909 4.791 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)ccc1OC(C)C 225831892 JOUYKAVMNLNRHX-ZHRRBRCNSA-N 391.508 4.574 0 40 GJAB CCOc1ccc(CCC(=O)NCc2cc(CC)ccc2CC)cc1OCC 225866779 VOGPKUOIJWDTEA-UHFFFAOYSA-N 383.532 4.858 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)c2nc(N)sc2c1 226312123 PGYXZSAEYIZEAV-UHFFFAOYSA-N 382.272 4.511 0 40 GJAB Cc1ccc(COc2c(Br)cc(Br)cc2CO)cc1 311667023 XQXRFCKZSVILBG-UHFFFAOYSA-N 386.083 4.591 0 40 GJAB O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1 408527078 KBEYFHUCKKDCMI-UHFFFAOYSA-N 379.272 4.509 0 40 GJAB O=C(Oc1cccc2ccccc12)c1ccc(Cn2nnc3ccccc32)cc1 409183516 UUQUOMDLOJBYLG-UHFFFAOYSA-N 379.419 4.852 0 40 GJAB Cc1cnc(NC2CCN([C@H](C)c3ccncc3)CC2)nc1-c1ccccc1F 563018944 ZRSLYHSZKITPMQ-QGZVFWFLSA-N 391.494 4.624 0 40 GJAB CN(Cc1ccccc1NC(=O)NC[C@@H]1CCCC12CC2)C(=O)c1cccs1 585123625 OYWPKTCZKXMULJ-KRWDZBQOSA-N 397.544 4.722 0 40 GJAB CC(C)(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)c(O)n1)c1ccc(F)cc1F 612318429 IFHPXVQMHFLPSJ-AWEZNQCLSA-N 388.336 4.601 0 40 GJAB CCOc1ccc(Oc2ccccc2NC(=O)N2CCC[C@H](OC)CC2)cc1 679954853 RNNGDOPABIOMML-KRWDZBQOSA-N 384.476 4.910 0 40 GJAB COc1cccc2c1N(S(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C=C2C 663036 XOFHBTJVXYRHLP-UHFFFAOYSA-N 377.893 4.739 0 40 GJAB CC(=O)n1cc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)c2ccccc21 826619 VTBOAOVOLIMNGP-FYJGNVAPSA-N 380.403 4.799 0 40 GJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)Nc3cccc(F)c3)n12 929696 GQBNCGCXMFHNOX-UHFFFAOYSA-N 394.475 4.678 0 40 GJAB Cc1ccc(C(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)s1 2635728 BCVZCRVHUORVAP-GOSISDBHSA-N 393.508 4.831 0 40 GJAB COC(=O)c1cc(Sc2ccccc2)sc1NC(=O)c1ccc(OC)cc1 2755209 LLERRTONKNUJIX-UHFFFAOYSA-N 399.493 4.947 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)c1ccn(COc2ccccc2F)n1 2786619 UNKLPPVLBVLYSE-UHFFFAOYSA-N 380.206 4.618 0 40 GJAB COc1cc(/C=C/C(=O)OCc2ccc(Cl)cc2Cl)cc(OC)c1OC 3282663 XUCSMIRSUFZVNT-QPJJXVBHSA-N 397.254 4.776 0 40 GJAB COc1ccc(C(C)=O)cc1COc1ncnc2sc3c(c12)CC[C@@H](C)C3 3597450 NVZQNDNCWGELDP-GFCCVEGCSA-N 382.485 4.606 0 40 GJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3ccccn23)cc1 4585217 SBXSUJUZVXQIAE-UHFFFAOYSA-N 397.478 4.930 0 40 GJAB CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)[C@@H]1CC[C@H](C)[C@H](C)[C@@H]1C 5047947 DSDOVAAVIZFCDR-ILZLQZNLSA-N 381.601 4.501 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccncc2)cs1 6189070 PPBVPEKGAFRKDM-UHFFFAOYSA-N 380.256 4.529 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1cccc2c1OC(C)(C)C2 6552475 CTAYRNIIWCCXGV-CQSZACIVSA-N 396.512 4.608 0 40 GJAB C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(C)Cc1ccc(C(C)(C)C)cc1 6833253 JRBBXNBIGSYQQS-WZONZLPQSA-N 378.560 4.998 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(C)n3C3CC3)cc2)cc1 7617763 YREMOPVDKCLJIN-UHFFFAOYSA-N 394.500 4.753 0 40 GJAB CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)NCc2ccncc2)cc1 8340767 ZNPRPASJGULXGY-UHFFFAOYSA-N 396.494 4.735 0 40 GJAB Cc1n[nH]c2c1[C@@H](c1ccccc1Cl)N(CCc1c[nH]c3ccccc13)C2=O 8992692 HTHLRKYVWDHVPJ-OAQYLSRUSA-N 390.874 4.641 0 40 GJAB Clc1ccc(COc2ccccc2CNCCCn2ccnc2)c(Cl)c1 10313982 ZZNFHZIIIITPFA-UHFFFAOYSA-N 390.314 4.949 0 40 GJAB Cc1ccc(OCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c2c1[C@@H](C)CC2=O 11052941 REKSUVGBHVQOOI-NPMXOYFQSA-N 383.463 4.716 0 40 GJAB Cc1ccc(-c2csc(NC(=O)C[C@@H](C)NC(=O)c3ccccc3)n2)cc1C 11808892 ACSTXXFZFPIYLF-MRXNPFEDSA-N 393.512 4.574 0 40 GJAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)OC(C)C)cc1C 12062314 KJZRAQREJNJTJH-UHFFFAOYSA-N 398.528 4.776 0 40 GJAB CN(C(=O)Nc1ccc(F)cc1F)[C@@H](c1ccc(Cl)cc1)c1nccn1C 12603525 HTLQDUZYPQSMOK-KRWDZBQOSA-N 390.821 4.605 0 40 GJAB CC(C)[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1nc2ccccc2[nH]1 12628036 IREHOFAKVNYOQZ-SFHVURJKSA-N 396.541 4.804 0 40 GJAB O=C(O)c1ccc(CNC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 12992861 PZGOBUHAULUBIA-UHFFFAOYSA-N 390.222 4.882 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccccc3)c2n1 13284413 VKWIOKLSDFHPQV-UHFFFAOYSA-N 375.255 4.545 0 40 GJAB Fc1ccc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)cc1Cl 13723461 CQURXHQQHQAKJR-UHFFFAOYSA-N 379.247 4.890 0 40 GJAB COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C2CCCCC2)c1 13778102 OFLROTQDGOIURY-UHFFFAOYSA-N 390.483 4.512 0 40 GJAB C[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccc(-c2ccccc2)cc1 14165857 DKSTYFBQEUKHFM-GOSISDBHSA-N 388.515 4.955 0 40 GJAB c1cncc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1 19339166 JFFRDVQIMFKPIG-LJQANCHMSA-N 377.444 4.583 0 40 GJAB COc1ccc(CN[C@H](Cc2cccs2)c2nc(C)c(C)s2)cc1OC 19559637 ZSGQJGXKWNBHBQ-QGZVFWFLSA-N 388.558 4.912 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 20528951 PPANQUPQMGWINR-UHFFFAOYSA-N 382.243 4.820 0 40 GJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cc2ccccc2o1 20611109 VRXHFHLKPXECMA-UHFFFAOYSA-N 386.386 4.867 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 21369084 CDRABIACHIIYTN-JKSUJKDBSA-N 379.456 4.502 0 40 GJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N(Cc2ccccc2F)C2CC2)c1 21934734 URYDYAKCQXKICM-UHFFFAOYSA-N 384.451 4.978 0 40 GJAB C[C@H](OC(=O)c1cc2c(F)cccc2s1)C(=O)N[C@H](C)c1ccc(F)cc1 24899335 FJEFHANSOUZRFB-NEPJUHHUSA-N 389.423 4.602 0 40 GJAB CCCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 27664530 GPUPOZSIKOKYEB-OAQYLSRUSA-N 386.923 4.696 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)c1C 30864349 RXONLPSFUVPLBN-GOSISDBHSA-N 375.852 4.621 0 40 GJAB CC1(C)CC(N(Cc2ccncc2)Cc2ccc3ccccc3n2)CC(C)(C)N1 36740558 AEGPUDFWBRJRDR-UHFFFAOYSA-N 388.559 4.941 0 40 GJAB CN(C)C1(CNC(=O)Nc2cccc(C3SCCCS3)c2)CCCCC1 40104100 NHMJNXHOITVHFA-UHFFFAOYSA-N 393.622 4.941 0 40 GJAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(-c3ccccc3)cc1F)OCO2 40129398 WGYFNYZUJMBUNG-UHFFFAOYSA-N 377.371 4.676 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 44839880 UYDISFBWATYCAR-QGZVFWFLSA-N 391.515 4.562 0 40 GJAB COc1cc(F)ccc1NC(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F 45522812 BTBWUBMZHTXTEX-UHFFFAOYSA-N 393.340 4.600 0 40 GJAB Cc1ccc2cccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)c2n1 57315622 XDYNERYQFWSMLU-UHFFFAOYSA-N 390.295 4.977 0 40 GJAB Cc1[nH]c2ccc(F)cc2c1-c1cn2c3c(nnc2n1)[C@@H]1CC[C@@]3(C)C1(C)C 57742615 PTUDAWPHGFOBQT-RCDICMHDSA-N 375.451 4.895 0 40 GJAB COc1cc2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)[nH]c2c(OC)c1OC 57995655 GSHCRGQMAHNQHX-UHFFFAOYSA-N 382.460 4.744 0 40 GJAB CN(C(=O)c1ccc(-c2ccccn2)[nH]c1=O)c1ccc(Oc2ccccc2)cc1 58881928 NTXKAXZBQAWUIA-UHFFFAOYSA-N 397.434 4.506 0 40 GJAB Cn1cccc1[C@@H]1CCCN1Cc1cc(Cl)ccc1OCc1cccnc1 71816974 HRYRWWJFGBLQSP-NRFANRHFSA-N 381.907 4.990 0 40 GJAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2ccccc12 72087310 QAHALJOVXFAZRQ-UHFFFAOYSA-N 379.847 4.976 0 40 GJAB Cc1ccc(-c2nnc(CN(Cc3cccc(C)c3)Cc3ccccn3)o2)cc1 72308330 YHJHORVCTCPSIT-UHFFFAOYSA-N 384.483 4.951 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72358080 XAQHZHQEHPTISU-LJQANCHMSA-N 381.476 4.554 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(F)cc1 83260327 RZVKAWNUVBFUSF-YCDQRNBNSA-N 375.528 4.865 0 40 GJAB CN1c2ccccc2C(=O)N[C@H]1c1csc(-c2ccc(C(F)(F)F)cc2)n1 83881771 HLVXDPQCWWLZFH-MRXNPFEDSA-N 389.402 4.707 0 40 GJAB O=C(Nc1ccc(OC(F)F)cc1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 89774662 LMILDVCUELQZGB-MRXNPFEDSA-N 382.794 4.627 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 98072451 NVLQKTPHDGBYNL-CQSZACIVSA-N 390.936 4.941 0 40 GJAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)c1 100156261 HMYVJYFENORUTK-OKILXGFUSA-N 387.530 4.872 0 40 GJAB CCc1c(-c2ccc(OC)c(Br)c2)nn(Cc2ccccc2)c1N 199750454 RZRGXSRDWSLQQY-UHFFFAOYSA-N 386.293 4.514 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)[nH]2)c1 216026506 VQDDFOBQWFJQBZ-UHFFFAOYSA-N 388.290 4.518 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)CC(C)(C)O2 219292435 ULSYYQGFSDLVFW-FZKQIMNGSA-N 389.879 4.535 0 40 GJAB CSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 222802569 FSWKDELOMSUULX-RGEXLXHISA-N 392.480 4.720 0 40 GJAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1C(=O)NC1CCCCC1 223564729 BSAOSCBWCTYSDD-UHFFFAOYSA-N 388.870 4.723 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)CSc1ccc(Cl)cc1 223666719 VAHWPQOQYZTVAG-UHFFFAOYSA-N 377.937 4.925 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1 224012439 JVPFQYJTUZYJHC-CYBMUJFWSA-N 385.335 4.569 0 40 GJAB Cc1ccc(CSCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225131608 ZUBYJIUOGBHZMP-UHFFFAOYSA-N 386.542 4.824 0 40 GJAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCC1 225370460 JXYZPIWDXYBHKP-UHFFFAOYSA-N 391.298 4.801 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cc(C)ccc1C(C)C 225405277 TXCOOLAFCYOMFV-FQEVSTJZSA-N 397.515 4.924 0 40 GJAB O=C(O)c1cn(C(=O)c2cccc3c(Br)cccc23)c2ccccc12 226366037 ZZIDUUSTSSFMFP-UHFFFAOYSA-N 394.224 4.944 0 40 GJAB COCCN1C(=O)N(c2ccccc2Cl)[C@@H]2[C@H](c3ccc(F)cc3)CC[C@@H]21 257235683 GYWUOMUBRVCRKW-FFZOFVMBSA-N 388.870 4.682 0 40 GJAB CC(C)C(=O)N[C@@]1(C)C[C@H](c2ccc(-n3cccn3)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257283420 OYFSECWNCRJAQP-ACSKNFPISA-N 395.547 4.669 0 40 GJAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CN(C(=O)C3CCCCC3)CCO2)n1 257289931 QAVRHSVURWHWAV-QHCPKHFHSA-N 396.506 4.600 0 40 GJAB O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Nc1cccc(Oc2ccccc2)c1 257315112 UZYLETVQIVCQLA-UBFVSLLYSA-N 388.511 4.963 0 40 GJAB O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H](N2CCc3ccccc3C2)C1 408610701 ROEIWOOYQMQPFS-SFHVURJKSA-N 389.326 4.656 0 40 GJAB Cc1nn(CCNC(=O)Cc2ccc(SC(C)C)cc2)c(C)c1-c1ccco1 585148412 GDYLJJWZLNTCEF-UHFFFAOYSA-N 397.544 4.619 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 1006389 XUSDOOLUTNKGRX-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB CCOc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(C)=O)cc2c1 1367858 OVIJUHOITJRWSM-UHFFFAOYSA-N 386.854 4.975 0 40 GJAB CCc1nc(SCC(=O)N2CCc3ccccc32)c2oc3ccccc3c2n1 4295957 DJQZPCPBEVMTHF-UHFFFAOYSA-N 389.480 4.620 0 40 GJAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 4910726 WWPTZBOIJPEFAL-MRXNPFEDSA-N 381.907 4.852 0 40 GJAB CCc1ccccc1Nc1nc(C(F)(F)F)nc2c1nnn2Cc1ccccc1 4922359 ULFDUURZZMBZPG-UHFFFAOYSA-N 398.392 4.594 0 40 GJAB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3Cl)=NN12 5093112 RJYRKOXQOXBLNU-FQEVSTJZSA-N 381.907 4.696 0 40 GJAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 5219821 SYTMKGASQUQBOW-RHSMWYFYSA-N 387.549 4.821 0 40 GJAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1C 6278147 FCVJASMATZXMFT-HNNXBMFYSA-N 384.545 4.867 0 40 GJAB Cc1cc(OC(=O)c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2)n1 6413369 QCWGROFSQZSFRT-UHFFFAOYSA-N 384.435 4.979 0 40 GJAB COc1cccc(/C=C2/SC(=O)N(C)C2=O)c1OCc1ccc(Cl)cc1 6440550 MCGNGCMWMFCMKS-MHWRWJLKSA-N 389.860 4.594 0 40 GJAB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2cc(C)ccc2C)cc1 6501697 NFDRAPKKJUDDQP-UHFFFAOYSA-N 393.483 4.877 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCCC1)C(c1ccccc1)c1ccccc1 7687045 BBCJSSNCFPJLMH-OAQYLSRUSA-N 390.552 4.833 0 40 GJAB Cc1ccc2c(COC(=O)COc3c(Cl)cccc3Cl)cc(=O)oc2c1 7813331 RICOXMWIHRKXCE-UHFFFAOYSA-N 393.222 4.530 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 7928861 ODLJYIBDLLYVDI-AVRDEDQJSA-N 385.463 4.869 0 40 GJAB C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1 8055904 FIPLJZSMNHGXBS-LBPRGKRZSA-N 390.270 4.853 0 40 GJAB Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)O)cc2)c1 8446612 WCGHOVBNFXEYNJ-NTEUORMPSA-N 382.419 4.563 0 40 GJAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(C)cc2C)c1 8476439 ZEGNAIKRFXHSCI-UHFFFAOYSA-N 388.515 4.922 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)NCCCc2ccccc2Cl)CC1 9062545 KADRGPHFEWTXGP-UHFFFAOYSA-N 384.951 4.609 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11072209 YEICXWLLLSUKAT-OAHLLOKOSA-N 380.875 4.905 0 40 GJAB Cc1ccccc1[C@H](C)NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 12560035 RNGPUEASELHJKQ-HNNXBMFYSA-N 393.487 4.930 0 40 GJAB CCc1ccc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1 12627371 KIBAXRGQKZUCPU-QFIPXVFZSA-N 383.495 4.850 0 40 GJAB Cc1ccccc1CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 13140971 XZWFIBUHQZQYOL-UHFFFAOYSA-N 382.467 4.515 0 40 GJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(Oc2ccc(O)cc2)nc1 13534058 FKCWZQGWSIBIRL-WOJGMQOQSA-N 392.798 4.577 0 40 GJAB COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccccc4C)o3)c2)cc1 13843245 UVALPYYBYFILRK-UHFFFAOYSA-N 399.450 4.902 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Oc3ccc(Br)cc3)no2)cc1 15669820 YIKKSMCRHSHQEW-UHFFFAOYSA-N 388.217 4.722 0 40 GJAB NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1cccc2ccccc12 15931399 YZAVMXQBVURDIO-ATJXCDBQSA-N 393.240 4.680 0 40 GJAB CCCCCCNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 17223155 DJDQVIVKUNIWPQ-LOUIZWKLSA-N 376.500 4.710 0 40 GJAB Cc1ccc2c(CC(=O)N3CCC[C@H]3c3nnc(-c4ccsc4)o3)coc2c1 19221629 BLJUUCWANCHICZ-KRWDZBQOSA-N 393.468 4.759 0 40 GJAB C[C@@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(-c2ccccc2)cc1 19600720 HWWQNMJUGMHYOM-GOSISDBHSA-N 392.543 4.816 0 40 GJAB COc1ccc([C@@H](NC(=O)C2(c3cc(C)cc(C)c3)CCOCC2)C2CC2)cc1 19662075 NVILLEUEQNKEHH-QHCPKHFHSA-N 393.527 4.628 0 40 GJAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)Cc1ccccc1 25766551 GSWIHQQYLGPJQT-SFHVURJKSA-N 385.554 4.711 0 40 GJAB COc1ccc(-c2nc(CSCC(=O)NC3CCCCC3)cs2)cc1 31413229 MPUNFJPXPQRCFI-UHFFFAOYSA-N 376.547 4.501 0 40 GJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1cc(C)ccn1 32714785 WIBREIYLURDALO-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CCN(C(=O)c1csc(-c2cccc(OC)c2OC)n1)c1ccccc1C 32753833 ABBWNUNUKOQASY-UHFFFAOYSA-N 382.485 4.802 0 40 GJAB Cc1occc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 32889011 POOLYAWCPSZDRB-UHFFFAOYSA-N 378.306 4.704 0 40 GJAB CCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccccc3OC)nc21 36617246 MUWDILWEMBNLPV-UHFFFAOYSA-N 391.443 4.867 0 40 GJAB Cc1nc2ccccc2n1CCN1CCC(c2nc3ccccc3s2)CC1 40151481 QWWFOTAXDUTFGR-UHFFFAOYSA-N 376.529 4.834 0 40 GJAB Cc1cc(=O)oc2cc(OCc3ccccc3F)c(CCC(=O)OC(C)C)cc12 41435426 CBODSUHPBOBLLP-UHFFFAOYSA-N 398.430 4.704 0 40 GJAB biogenic CC(C)C[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccccc1 44936897 JXBUFGRYWFMKPG-HSZRJFAPSA-N 382.523 4.941 0 40 GJAB CCCOc1ccc([C@@H](C)NC(=O)CCc2c[nH]c3ccccc23)cc1OC 48333754 KCDNLIDKTSPIOV-MRXNPFEDSA-N 380.488 4.775 0 40 GJAB Cc1ccc2cccc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)c2n1 57313656 ZPZAYTMCEXHFEV-UHFFFAOYSA-N 393.512 4.705 0 40 GJAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC(CN2CCCCC2)CC1 58051100 XWTGETYTXRSARX-UHFFFAOYSA-N 398.522 4.743 0 40 GJAB COc1ccc(CC[C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)cc1OC 58265171 VZPUHYZNWJIREK-OAQYLSRUSA-N 381.516 4.569 0 40 GJAB O=C(Nc1ccccc1O)c1csc(-c2cc(Br)cs2)n1 59856825 HYBIEAPREPRUFM-UHFFFAOYSA-N 381.276 4.592 0 40 GJAB C[C@@](NC(=O)COc1ccc(Oc2ccccc2)cc1)(C1CC1)C(F)(F)F 72307911 WBZVKLPDJIEOQC-LJQANCHMSA-N 379.378 4.705 0 40 GJAB O=S(=O)(c1ccccc1C(F)(F)F)N(C1CC1)[C@H]1CCc2ccccc21 84581874 KKWFRZNKKZJPPJ-KRWDZBQOSA-N 381.419 4.546 0 40 GJAB Cc1ccc2cc(C(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)c(C)nc2c1 89665899 HDOKDJYPWATNLE-FXAWDEMLSA-N 380.513 4.641 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)c1c(OC)ccc(SC)c1OC 95468148 LWNONQXJQRIHOF-UHFFFAOYSA-N 381.881 4.648 0 40 GJAB O=C(CCSc1ccccc1)NCc1nn(C2CCCC2)c2c1CCCC2 96099226 PRWJTIWQQCHKEF-UHFFFAOYSA-N 383.561 4.676 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H]1CCN(c2ccccc2)C1 97286370 IDPSTQYYMAQZRY-MRXNPFEDSA-N 395.890 4.560 0 40 GJAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 97593126 DTCAUBOZRJRQII-AOMKIAJQSA-N 377.488 4.506 0 40 GJAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1cccc(Cl)c1)c1ccccc1 100426629 VKSYYSOIBSDSOS-PMACEKPBSA-N 397.906 4.687 0 40 GJAB OC1=C2C(=Nc3nc(SCc4ccccc4)nn3[C@H]2c2cccnc2)CCC1 102661480 KNEWPSCQFXVPMY-IBGZPJMESA-N 389.484 4.637 0 40 GJAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)cc1C 222844157 SHCWMEVYDVFDCZ-VXKWHMMOSA-N 390.556 4.870 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 222891705 ULDZHRJVFFDAAA-UXHICEINSA-N 381.476 4.863 0 40 GJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)c(C)c1 222975556 DMHGGYRIZZLIPV-UHFFFAOYSA-N 399.516 4.510 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1 223187177 JWGURCGMYRKXSY-GFCCVEGCSA-N 396.712 4.921 0 40 GJAB O=C(NCCOc1ccc(F)cc1)c1ccc(CSc2ccccc2)cc1 223394105 RXELDUZNJSNLLL-UHFFFAOYSA-N 381.472 4.927 0 40 GJAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 224115376 SWBGMTWAVQCGNY-UHFFFAOYSA-N 391.467 4.521 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1ccccc1OC 224574782 WVLJJJAAERETHM-UHFFFAOYSA-N 377.440 4.925 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCCSc2ccc(C)cc2)c(C)c1 225286790 GRELMXPBZGWWFD-UHFFFAOYSA-N 388.558 4.559 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCC)c(C(=O)OC)c1 225801850 BDBLFXFLYSCUCE-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1Cl 226299649 DXFSIOAGMCYSAZ-UHFFFAOYSA-N 399.734 4.835 0 40 GJAB COc1cc(C)c(C)cc1S(=O)(=O)N[C@@H](c1ccsc1)c1cccs1 390826456 LQLGABYKSRDWLA-SFHVURJKSA-N 393.555 4.503 0 40 GJAB Cc1cccc(Nc2cc(C3CCN(C(=O)/C=C/c4ccccc4)CC3)ccn2)n1 585293083 WJGFAROBKIJFNV-ZHACJKMWSA-N 398.510 4.948 0 40 GJAB COc1ccc(Nc2cccc(NC(=O)C3(C(F)(F)F)CCOCC3)c2)cc1 628584192 RFSAIOVBALCJCW-UHFFFAOYSA-N 394.393 4.736 0 40 GJAB CC(C)(C)SCc1nnc2sc(-c3ccccc3Br)nn12 1501040178 CRAXJQCLBSYJHE-UHFFFAOYSA-N 383.340 4.647 0 40 GJAB FC(F)(F)COc1ccc(CN2CCC[C@@]3(CCCc4ccccc43)C2)cn1 1641956941 WXYFNBVVLAGVOM-NRFANRHFSA-N 390.449 4.893 0 40 GJAB CCOC(=O)C1=C(N[C@@H](C)c2ccccc2)CC[C@H](C(=O)OC(C)(C)C)CC1 1857793344 WRNYVZALLUVTHF-FUHWJXTLSA-N 387.520 4.686 0 40 GJAB Cc1cc(Cl)ccc1N1C(=O)C[C@@H](Cc2ccc(Br)cc2)C1=O 651444 QQMLDIPMRMTFCX-CYBMUJFWSA-N 392.680 4.533 0 40 GJAB O=C1c2ccccc2-c2nc3c(-c4ccccc4)nnc(-c4ccccc4)c3nc21 802076 HMTZURFIGXGDMO-UHFFFAOYSA-N 386.414 4.965 0 40 GJAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc2ccccc12 812118 QZBPXUWCIUAEIF-UHFFFAOYSA-N 399.479 4.875 0 40 GJAB CCN1C(=O)c2cccc3c(NC(=O)c4cccc(Br)c4)ccc1c23 945352 GTSFMGSKZBXGMS-UHFFFAOYSA-N 395.256 4.835 0 40 GJAB CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1ccncc1 1106308 URDYVTMEFGXDHS-UHFFFAOYSA-N 393.299 4.642 0 40 GJAB O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccccc1Cl 1250838 NBAYPVXMFRJKJZ-HSZRJFAPSA-N 387.866 4.980 0 40 GJAB CCOC(=O)[C@H](Oc1ccc2oc(C)c(C(=O)OC(C)C)c2c1)c1ccccc1 1463667 GWERSLRYECUVEB-OAQYLSRUSA-N 396.439 4.990 0 40 GJAB biogenic CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCC2 2086593 YIFYDDKJVDKXGT-FMIVXFBMSA-N 387.476 4.983 0 40 GJAB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1Br 2608230 WEIIWUSXFJGFMP-UHFFFAOYSA-N 395.256 4.954 0 40 GJAB CCCn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033337 CNQZJIZKZZZZII-AWEZNQCLSA-N 387.405 4.986 0 40 GJAB Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccccc1F 4200750 IYILDRYEADJGIW-UHFFFAOYSA-N 399.472 4.607 0 40 GJAB O=C1CC2(CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)Oc2ccccc21 4505525 HDMYKZUETYCZIE-UHFFFAOYSA-N 390.266 4.634 0 40 GJAB O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)Cc1ccccc1-2 4783790 BEWWARYSHQZSGR-HSZRJFAPSA-N 375.493 4.614 0 40 GJAB COC(=O)c1cc(-c2ccccc2)n(CCc2ccc(OC)c(OC)c2)c1C 4825538 PBSCLPRHYUVUBY-UHFFFAOYSA-N 379.456 4.510 0 40 GJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 5219819 SYTMKGASQUQBOW-PBHICJAKSA-N 387.549 4.821 0 40 GJAB O=C(Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1cccs1 5259269 CORWQACSUHSWAL-UHFFFAOYSA-N 378.501 4.838 0 40 GJAB O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N(c1ccccc1)c1ccccc1 5774106 DPIKOWRJRJDXBN-JOCHJYFZSA-N 399.450 4.712 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 6218324 ZJPZBLJXORFNCT-UHFFFAOYSA-N 396.424 4.933 0 40 GJAB Cc1sc(NC(=O)Cn2cc(C=O)c3ccccc32)nc1-c1ccccc1 6389842 RWGFKVLYSWIDTD-UHFFFAOYSA-N 375.453 4.524 0 40 GJAB COc1ccc(-c2cnc3cc(-c4cccc(Br)c4)nn3c2)cc1 6745632 ULAXCOCMKPQMEP-UHFFFAOYSA-N 380.245 4.834 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)c2cccc(C)c2)cc1OCCC 6811498 SUXWQMOQXVBTTD-UHFFFAOYSA-N 395.459 4.875 0 40 GJAB CCC[C@H](C)NC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 7654236 BQPGCNVEEVMFQH-ZDUSSCGKSA-N 378.567 4.802 0 40 GJAB CCc1ccc([C@@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(Br)cc2)cc1 8024921 KBXQXOPIWXGKCU-LJQANCHMSA-N 396.288 4.793 0 40 GJAB O=C(c1ccc(Br)o1)N1CCC(c2nc3ccccc3s2)CC1 8086345 QDXYTQDDCYBWDK-UHFFFAOYSA-N 391.290 4.672 0 40 GJAB COc1ccc(C(=O)C2CCN(C(=O)C3CCC(C(C)(C)C)CC3)CC2)cc1 9983400 RBYQEGNMDZUVOQ-UHFFFAOYSA-N 385.548 4.969 0 40 GJAB O=C(CN1CCCC1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 12487078 IONAVPUHEDLFJM-UHFFFAOYSA-N 395.503 4.578 0 40 GJAB COc1ccc([C@H]2CCCN2Cn2nc(C)n(-c3ccc(C)cc3)c2=S)cc1 12637563 SHUKZKXWCQEYGW-OAQYLSRUSA-N 394.544 4.823 0 40 GJAB C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)[C@@H](O)c1ccc(O)cc1 12913307 XOVOKWMGJCUAOS-ORAYPTAESA-N 377.469 4.598 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c(OC)c1 14582998 CCSVPCNSUZQKGE-UHFFFAOYSA-N 383.366 4.764 0 40 GJAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1C 14609729 YHFKXJQZJDIOIJ-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CCCc1cc(O)nc(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)n1 18058849 SCHPTPUHQYHHGZ-UHFFFAOYSA-N 389.480 4.794 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N[C@H](c1ncccc1C)C2 19237833 YCOIXQFHZPAQTJ-CVDCTZTESA-N 378.447 4.523 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2)c1ccccc1Cl 19819186 ALDISVOVZOHCLM-UHFFFAOYSA-N 391.858 4.580 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1OCC 20451707 CFSYWMAKRQDCNY-IBGZPJMESA-N 385.504 4.575 0 40 GJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2Br)cc1 21709781 RIMLEBNETGENRS-SFHVURJKSA-N 392.268 4.964 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 22514385 FCOALSPHKRPVDQ-SJLPKXTDSA-N 382.504 4.546 0 40 GJAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)CSc1ccccc1 28220955 WZIXQPWWMMMDNC-UHFFFAOYSA-N 385.920 4.932 0 40 GJAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(F)cc3)c3ccccc23)cc1 28535133 PPIDOTFFOFFJES-UHFFFAOYSA-N 387.414 4.612 0 40 GJAB C[C@H]1CCc2[nH]c3ccc(CNC(=O)c4ccc(Br)cc4)cc3c2C1 28580879 JCPSRNVNQNJLMM-ZDUSSCGKSA-N 397.316 4.985 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 32239159 WUOREGTZUXJPHT-QGZVFWFLSA-N 392.952 4.512 0 40 GJAB C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 40079695 CHKAZCMSDKCECB-JEJOPICUSA-N 390.508 4.881 0 40 GJAB CC(C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)c1 40097844 CLOQGOOPCGMRDL-UHFFFAOYSA-N 379.382 4.622 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)c1 46012662 YRKIURJYFFUZNM-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CN(C)[C@H]1CCCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)C1 65547941 YTVLIDWTVFELMV-KRWDZBQOSA-N 378.545 4.766 0 40 GJAB O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)c1c(-c2ccccc2)[nH]c2ccccc12 72271185 WMIRAZJIELDRKD-GOSISDBHSA-N 384.483 4.620 0 40 GJAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccccc2Cl)[nH]n1 72331592 NUAIGIPFFXQIKU-UHFFFAOYSA-N 383.879 4.839 0 40 GJAB COc1cc(CNc2cc3c(cc2Cl)OCCCO3)ccc1OC(F)F 95349089 CPHBAJSUCFDCNJ-UHFFFAOYSA-N 385.794 4.723 0 40 GJAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(F)c(C(F)(F)F)c1 95381723 ZFXHABJSDFWQQE-KXBFYZLASA-N 392.396 4.601 0 40 GJAB Cc1nc(C)c(-c2nn3c(-c4cc(Cl)ccc4Cl)nnc3s2)s1 95474177 IZVZTYCKVGGBOI-UHFFFAOYSA-N 382.301 4.900 0 40 GJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2)C12CCCC2 96344607 RFMCLFXUQNGZTK-JOCHJYFZSA-N 390.527 4.655 0 40 GJAB Cc1ccc2oc(C(=O)N3[C@@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)cc(=O)c2c1 100166729 VMTYDNGJTKNZGH-RTBURBONSA-N 391.442 4.791 0 40 GJAB Cc1c(C(=O)N[C@H](C)COc2ccc(Cl)cc2)n(C)c2ccc(Cl)cc12 141595223 LPDHUDDCNOMHMO-GFCCVEGCSA-N 391.298 4.991 0 40 GJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 222394040 SZEWOTFCWRNNEB-QHCPKHFHSA-N 394.559 4.568 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)C1 223917642 RNUBLTGWVAXDKE-INIZCTEOSA-N 390.449 4.867 0 40 GJAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(Cl)cc1 224497421 YHRKRRYDIOZURE-UHFFFAOYSA-N 385.847 4.841 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)NC1CCCC1 224527127 XFFFQLILQPRVOO-GOSISDBHSA-N 399.362 4.960 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 225476341 UJDYDVBRAMZWGB-UHFFFAOYSA-N 380.488 4.571 0 40 GJAB CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OCC)ccc1OC 225823395 BZVJYMHNMGFCFV-UHFFFAOYSA-N 393.524 4.678 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)c1 225856166 JNCHXNJGPCDBHS-UHFFFAOYSA-N 398.528 4.546 0 40 GJAB O=C(NCc1ccc(-c2ccoc2)nc1)NC(c1ccccc1)c1ccccc1 390832197 XYDNSINEGGUJIR-UHFFFAOYSA-N 383.451 4.930 0 40 GJAB COc1cc(NC(=O)Cc2ccccc2)ccc1NC(=O)c1ccccc1Cl 408621264 LCQOCOKBXLECNI-UHFFFAOYSA-N 394.858 4.782 0 40 GJAB Cc1nn(-c2cccc3ccccc23)c(C)c1/C=C1\N=C(c2ccccc2)OC1=O 408993181 CNFPWMQBHITLGV-JCMHNJIXSA-N 393.446 4.987 0 40 GJAB O=C1CC[C@H](c2cccc(NC(=O)N3CC=C(c4cccc(Cl)c4)CC3)c2)N1 557156660 LGUSELVOBARMKL-HXUWFJFHSA-N 395.890 4.612 0 40 GJAB CCCn1c(SCc2nc(C3CCCCC3)no2)nc2ccccc2c1=O 669560124 SVKGQZGGWBFWKG-UHFFFAOYSA-N 384.505 4.530 0 40 GJAB COC[C@@H]1CCCCN(Cc2cccc(OCc3ccc(F)cc3F)c2)C1 1521024264 MRAHYVZBCYZTFJ-GOSISDBHSA-N 375.459 4.792 0 40 GJAB CNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C(C)(C)C)C2 643892 STLLNDVIFNBFNU-GFCCVEGCSA-N 388.508 4.650 0 40 GJAB COc1ccc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c(OC)c1 977021 KRRVDKRZDOAHHM-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB Cc1cccc2sc(NC(=O)c3cccc(Cn4cc(Cl)cn4)c3)nc12 1049592 ZVYQNYKBVREBFP-UHFFFAOYSA-N 382.876 4.755 0 40 GJAB Cc1ccc(C)c(C(=O)COC(=O)c2cccnc2Nc2ccccc2F)c1 2637211 DWVMUACGWCCTOD-UHFFFAOYSA-N 378.403 4.621 0 40 GJAB COc1cccc(-c2nnc(S[C@H]3CCCCC3=O)n2-c2ccc(C)cc2)c1 2638713 SVIHTOJABZRNRW-FQEVSTJZSA-N 393.512 4.855 0 40 GJAB O=c1c2sc(=S)n(CCc3ccccc3)c2[nH]c(=S)n1-c1ccccc1 3632897 YIYJZJCNJNUCLB-UHFFFAOYSA-N 397.550 4.883 0 40 GJAB CCCCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21 4004717 NSLBZDNWVDLYQI-UHFFFAOYSA-N 395.850 4.792 0 40 GJAB O=C1Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c3cccc1c23 4134568 ISJCFPXBLGEWLO-UHFFFAOYSA-N 393.251 4.513 0 40 GJAB CSc1ccc(-c2nnc(NC(=O)Cc3cccc4ccccc34)o2)cc1 4585621 ANAVIXNMLGVLJE-UHFFFAOYSA-N 375.453 4.793 0 40 GJAB COc1ccc(C2=Nn3c(nnc3-c3ccc(C(C)(C)C)cc3)SC2)cc1 4619684 KQGQSFQCBXHWNP-UHFFFAOYSA-N 378.501 4.609 0 40 GJAB O=C(O)CCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 4645033 CPZAAQIZPWFUCI-ABZUEELESA-N 388.467 4.674 0 40 GJAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NC1CCCCCC1 4936003 ALFOWUJDUGGUJV-UHFFFAOYSA-N 391.467 4.678 0 40 GJAB CNC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCCC2 5055818 LBKOQXVDPFBDLY-UHFFFAOYSA-N 384.545 4.926 0 40 GJAB Cc1ccccc1OCCCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 5235880 YIXNFOXXVSBWIO-UHFFFAOYSA-N 393.531 4.519 0 40 GJAB CC[C@H](C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1)c1ccccc1 5240093 ZTIBLBQMBZBYPE-NRFANRHFSA-N 397.478 4.826 0 40 GJAB Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)NCc3cccnc3)c2c1 5307960 JGENFRAZCFYZPS-UHFFFAOYSA-N 384.483 4.572 0 40 GJAB Cc1ccc(-c2n[nH]c(S[C@H](C(=O)N3CCCCC3)c3ccccc3)n2)cc1 5474270 LMXDRQCYKLBQHG-IBGZPJMESA-N 392.528 4.626 0 40 GJAB COc1cc(C(=O)N[C@H](c2cccs2)C(C)C)cc(OC)c1Br 8013247 SGLWVZKAFXEHIY-INIZCTEOSA-N 398.322 4.655 0 40 GJAB COc1ccc(C)cc1-n1c(SCc2cc(C)no2)nnc1-c1cccs1 8487265 NGXBUUNEUNVCKD-UHFFFAOYSA-N 398.513 4.902 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1 8493695 CNJSBNAOSUEZCD-AWEZNQCLSA-N 381.900 4.604 0 40 GJAB O=C(CSc1ncnc2ccccc12)N(Cc1ccco1)C1=CCCCC1 8704031 SLEXXAVNUFDZJD-UHFFFAOYSA-N 379.485 4.802 0 40 GJAB C[C@@H](NC(=O)CSc1nc(C2CCCC2)n[nH]1)c1ccc2ccccc2c1 8757104 QNFLGGITHSICCZ-CQSZACIVSA-N 380.517 4.585 0 40 GJAB CCCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 8903633 UIKNRTXVUYQSTQ-UHFFFAOYSA-N 398.484 4.903 0 40 GJAB Cc1nc(C)c(C(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)s1 10022914 MFWZELKDMIGOGI-UHFFFAOYSA-N 383.542 4.942 0 40 GJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)c(Cl)c2)cc1 11427270 IUSABEGVLRRXDG-UHFFFAOYSA-N 386.908 4.907 0 40 GJAB Cc1noc(C)c1C(=O)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)no1 12120240 SXMPYNFWEJFWDO-SFHVURJKSA-N 383.423 4.843 0 40 GJAB OC1(c2ccccn2)[C@H]2CCC[C@@H]1CN(Cc1cccc(Cl)c1Cl)C2 12135099 SKMJAVSQFYVUKD-NYTJIUQPSA-N 377.315 4.508 0 40 GJAB C[C@@H]1CCCCN1C(=O)CSc1nc(-c2cccs2)nc2ccccc12 12424618 MYTVJMTWVLJYPP-CQSZACIVSA-N 383.542 4.851 0 40 GJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccc(Cl)cc1 12617642 FLXTUELYFIKBPN-UHFFFAOYSA-N 375.255 4.897 0 40 GJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(Br)cc3)c12 12748503 CSWQISCTISVCQX-UHFFFAOYSA-N 398.216 4.806 0 40 GJAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)[C@H]1CCCN1C(=O)c1cccs1 12799388 DVTBDJQBHGOLLR-HXUWFJFHSA-N 388.492 4.563 0 40 GJAB O=C(Nc1ccccc1Br)c1cc(C2CC2)nn1-c1ccccc1 13011045 QUHVIXHZLNPUAK-UHFFFAOYSA-N 382.261 4.765 0 40 GJAB COc1ccc(CN(Cc2cc3cc(C)ccc3nc2Cl)C(C)=O)c(OC)c1 13997843 RWDLHIDFVSZRQT-UHFFFAOYSA-N 398.890 4.763 0 40 GJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2C)CC1=O 14095509 XWRQHJFYFHMESN-IBGZPJMESA-N 391.515 4.540 0 40 GJAB O=C(OCc1nc2ccccc2n1C(F)F)c1c2c(nc3ccccc13)CCC2 14902372 KUSZZGRPFVMTTN-UHFFFAOYSA-N 393.393 4.825 0 40 GJAB Cc1nc2cc(NC(=O)c3ccccc3OCc3c(C)noc3C)ccc2o1 21028741 XQIPAYOGYRFITG-UHFFFAOYSA-N 377.400 4.572 0 40 GJAB CN(Cc1ccccc1)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 21822072 QASVJOXNEUBZKY-UHFFFAOYSA-N 395.915 4.937 0 40 GJAB COc1cccc(-n2ccnc2S[C@H](C)C(=O)c2c[nH]c3ccccc23)c1 22714300 YLIBQTVTXXUFFR-CQSZACIVSA-N 377.469 4.726 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cncc(Br)c2)cc1 24392256 IHQOLURABFLJGS-SFHVURJKSA-N 389.293 4.610 0 40 GJAB CCN(C(=O)CSc1nc2ccccc2nc1C)c1nc2ccccc2s1 28191309 YADGVGSRYSQAAD-UHFFFAOYSA-N 394.525 4.693 0 40 GJAB COc1ccc(CC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 30849509 AORXWSBMZZFSNK-UHFFFAOYSA-N 384.328 4.594 0 40 GJAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc2c(c1)Cc1ccccc1-2 30894420 NVEXZBWYDLDFBL-UHFFFAOYSA-N 387.464 4.941 0 40 GJAB CC(C)c1nc(CC(=O)NCC(C)(c2ccccc2)c2ccccc2)cs1 31711496 SBAXODCMCYNDQK-UHFFFAOYSA-N 378.541 4.931 0 40 GJAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)c1ccc2c(c1)OCO2 32868653 CSCYIZZPOZUGSH-UHFFFAOYSA-N 390.420 4.594 0 40 GJAB CC[C@@H](NC(=O)CSCc1csc(C)n1)c1ccccc1OC(F)F 32914578 HLPRBYVVTJVDKC-CQSZACIVSA-N 386.489 4.554 0 40 GJAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1ccccc1 40059597 OZBMKBUDNFZBJG-MRXNPFEDSA-N 397.689 4.890 0 40 GJAB Cc1nccn1C[C@H](C)CNC(=O)c1ccc(-c2nc3ccccc3s2)s1 40156070 NAPVSMRPFDLWPZ-CYBMUJFWSA-N 396.541 4.596 0 40 GJAB CN(C)c1ccc(C[C@H]([C@@H](O)c2ccc(Cl)cc2Cl)n2ccnc2)cc1 40254513 VKFUYXLOJGHRBX-UXHICEINSA-N 390.314 4.773 0 40 GJAB COc1ccc(Oc2ncccc2NC(=O)NCCSC2CCCC2)cc1 58105614 SJDFHQHZWJDLFD-UHFFFAOYSA-N 387.505 4.680 0 40 GJAB Cc1cc(Br)ccc1N(C)C(=O)C1(c2cccc(F)c2)CCC1 58114802 XLNKCIRAMBMIKC-UHFFFAOYSA-N 376.269 4.981 0 40 GJAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccccc3-n3ccnc3)cc12 65551894 HGMCAOQWLXZQHW-UHFFFAOYSA-N 379.489 4.500 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)c3ccccc3N2)cc1 65552403 XAOOJUVUMCMYDA-QHCPKHFHSA-N 380.451 4.702 0 40 GJAB O=C(CSc1ccccc1F)N1N=C(c2ccco2)C[C@H]1c1cccs1 69303840 LRQAKJRCNLCFQW-HNNXBMFYSA-N 386.473 4.950 0 40 GJAB Brc1cccc2c(-c3nc4ccc(-n5cnnc5)cc4o3)cccc12 70461312 UYFMMVQZDFXOCE-UHFFFAOYSA-N 391.228 4.991 0 40 GJAB CCOc1ccccc1NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635491 FRFKXDYFRURZDN-SFHVURJKSA-N 394.393 4.710 0 40 GJAB CCc1c(Br)c(N)c(Br)c2nc(-c3ccncc3)oc12 73642755 PSEPHAUMYXDXRY-UHFFFAOYSA-N 397.070 4.559 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C)n2)C12CCCC2 79495420 CIVXLHSFBZBSFR-UWJYYQICSA-N 391.515 4.679 0 40 GJAB O=c1c(Cl)c(NCCOc2cccc3ccccc23)cnn1-c1ccccc1 84569349 WYMOLUMDBMTOCT-UHFFFAOYSA-N 391.858 4.530 0 40 GJAB COc1ccc(NC(=O)N(CCc2cccs2)Cc2ccoc2)c(OC)c1 90612454 NJLLIQOLRSMWLB-UHFFFAOYSA-N 386.473 4.635 0 40 GJAB O=c1[nH]n(C2CCCC2)c2c1[C@@H](c1c(F)cccc1Cl)SCC(O)=N2 95476930 MLUAPDUTRSPRKE-OAHLLOKOSA-N 381.860 4.508 0 40 GJAB O=c1cc(CNc2ncnc3scc(-c4ccccc4)c23)c2ccccc2[nH]1 95961285 WTAHASVPNDZIJT-UHFFFAOYSA-N 384.464 4.812 0 40 GJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 96053026 CYXJDTYMBNHJDS-IBGZPJMESA-N 380.532 4.559 0 40 GJAB O=C(CCc1ccc(Cl)c(F)c1)NCc1cccc(Oc2ccccn2)c1 96382534 GXDFKBWOZOBGTD-UHFFFAOYSA-N 384.838 4.915 0 40 GJAB Cc1ccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)cc1Br 100146973 JQUBWNSDBPODLP-ZDUSSCGKSA-N 392.680 4.533 0 40 GJAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H](c1ccccc1)N1CCCCC1 141591154 JHSHZNPGSFVPMI-FQEVSTJZSA-N 390.449 4.591 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccccc1C 222689474 VSIHRQQKNUNGGV-PGRDOPGGSA-N 381.516 4.615 0 40 GJAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 222761604 AHAYNXYVNKKUNP-OALUTQOASA-N 383.904 4.906 0 40 GJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 223436537 DBOQCTLKGFFRHF-UHFFFAOYSA-N 381.828 4.882 0 40 GJAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Cl 224156738 WYWJQZSPCFZECF-MRXNPFEDSA-N 383.875 4.764 0 40 GJAB Cc1cccc(CCCNC(=S)Nc2ccc(Br)cc2F)c1 225392687 WAROXQAPGBXECN-UHFFFAOYSA-N 381.314 4.816 0 40 GJAB CCOc1ccc(CNC(=S)Nc2cccc(OC(C)C)c2)cc1OCC 225529177 XTYHRLFVSNJMSQ-UHFFFAOYSA-N 388.533 4.758 0 40 GJAB O=C(Cc1cccc(Cl)c1)NCc1ccc(OCc2ccc(F)cc2)cc1 225564191 VTFKJDRFDBSWSJ-UHFFFAOYSA-N 383.850 4.917 0 40 GJAB COc1cc(C)c(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C(C)C 225667302 JTFMOESSARQZCW-UHFFFAOYSA-N 380.488 4.815 0 40 GJAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cc(Cl)ccc1OC 408564128 YCJAKVMKFQYTSW-XDOYNYLZSA-N 386.904 4.948 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408647805 XMTIZGVANQLXNM-INIZCTEOSA-N 378.859 4.793 0 40 GJAB COc1cc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)ccc1O 408732228 PQOWWCRKWNWACR-XYOKQWHBSA-N 385.828 4.613 0 40 GJAB Cc1cc(Br)c2ccccc2c1NC(=O)N(C)CC1=CCCOC1 585101411 ISLSRGVKQUIFKS-UHFFFAOYSA-N 389.293 4.721 0 40 GJAB COCCCCCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1C 725390678 FRYWDQDNZDMRLB-UHFFFAOYSA-N 380.440 4.881 0 40 GJAB O=C(c1cccc(NC2CC(c3ccccc3Cl)C2)c1)N1CCC(CO)CC1 1615574997 YWWWDRDLPDOUBB-UHFFFAOYSA-N 398.934 4.543 0 40 GJAB CCCNc1ccc(CNC(=O)N2CC[C@@]3(c4ccccc4)[C@H](C2)C3(F)F)cc1 1616044362 ZOZNVAJIDPYUPC-RBBKRZOGSA-N 399.485 4.627 0 40 GJAB c1cc(C2=N[C@H]3c4ccccc4C[C@H]3O2)cc(C2=N[C@H]3c4ccccc4C[C@H]3O2)c1 1988187876 SAJMZFXDNXCYAW-LWSSLDFYSA-N 392.458 4.572 0 40 GJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2C)c1 724764 HLKYRTYNTHDGDF-UHFFFAOYSA-N 389.908 4.514 0 40 GJAB O=C(N[C@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl)c1cccnc1 808623 YCRVTSMYKANZPZ-KRWDZBQOSA-N 394.689 4.773 0 40 GJAB Cc1cccc(Oc2coc3cc(O[C@@H](C)C(=O)OC(C)C)ccc3c2=O)c1 942544 NVAZQWSSNYFCNB-HNNXBMFYSA-N 382.412 4.613 0 40 GJAB biogenic CCc1cc(I)ccc1NC(=O)c1ccc(C)c(C)c1 1256091 PQORZYWFOCSJFI-UHFFFAOYSA-N 379.241 4.723 0 40 GJAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4Cl)nc32)cc1Cl 2343679 QWOBHUONIOKGPZ-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)s1 2745334 BTJIHHRRTVWITO-UHFFFAOYSA-N 387.464 4.623 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 3242289 OZZZILJXSZIPRM-ZDUSSCGKSA-N 395.377 4.894 0 40 GJAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(SC)ccc2Cl)cc1 3245849 UQEKLXJLOPTUFR-LBPRGKRZSA-N 377.893 4.808 0 40 GJAB Cc1ccc(C)c(NC(=O)COC(=O)CCOc2ccc(C(C)(C)C)cc2)c1 3261912 IFMMCUUCCWGFSC-UHFFFAOYSA-N 383.488 4.552 0 40 GJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2ccccc2c1 3349532 UUIFXBLFORNMKM-UHFFFAOYSA-N 387.266 4.857 0 40 GJAB CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(Br)s2)cc1 3376620 QXXCVEAWILNMBK-UHFFFAOYSA-N 381.291 4.848 0 40 GJAB O=C(NCCc1csc(-c2cccc(F)c2)n1)C12CC3CC(CC(C3)C1)C2 4375430 PPSUOAUBAQKZBU-UHFFFAOYSA-N 384.520 4.824 0 40 GJAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 4575091 GIMJXCZYUBROSN-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@@H](CC)C2 4576718 KHPWRZPMPFIEDX-CYBMUJFWSA-N 387.501 4.701 0 40 GJAB Cc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)CCc3ccccc3)c2)c1 4631108 CFUCSPHGLLJDLQ-UHFFFAOYSA-N 393.874 4.867 0 40 GJAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 4849435 CUORWIDFXJKBHB-UHFFFAOYSA-N 394.496 4.874 0 40 GJAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C12CC3CC(CC(C3)C1)C2 4943690 KKVJFGUKZNOCSC-UHFFFAOYSA-N 399.922 4.955 0 40 GJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 5219820 SYTMKGASQUQBOW-YOEHRIQHSA-N 387.549 4.821 0 40 GJAB COC(=O)c1ccc([C@@H]2C3=C(N=C4N=NNN42)[C@H](C2CCCCC2)CCC3)cc1 5867949 UNSZUPWZLXBDQR-FXAWDEMLSA-N 393.491 4.706 0 40 GJAB Cc1cc(C)cc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 6084127 IILBYPMIQXEYFO-ZDUSSCGKSA-N 396.270 4.559 0 40 GJAB O=C(CCCSc1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1 6508886 VSMFAYXLUAQKOA-UHFFFAOYSA-N 390.936 4.688 0 40 GJAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2c2cccs2)cc1 6661808 JYYSUWIBHKONAE-QFIPXVFZSA-N 390.508 4.794 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(C2CC2)o1)c1ccccc1 7288598 FTORJZCFODTGJZ-GOSISDBHSA-N 395.484 4.736 0 40 GJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 7989153 KSVDXCKYKDMAIU-AWEZNQCLSA-N 375.403 4.775 0 40 GJAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8103661 TWLOIQMXVXTRHH-GJZGRUSLSA-N 384.476 4.609 0 40 GJAB COc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 8122636 KPGFXRZEGIGHPX-UHFFFAOYSA-N 384.435 4.947 0 40 GJAB Cc1cc(C)c2c(-c3ccccc3)nc(SCc3nnsc3Cl)n2n1 8215901 FOXQJSGJWHBFRQ-UHFFFAOYSA-N 387.921 4.810 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 8344548 KKOCZMKOAFXGIK-UHFFFAOYSA-N 388.496 4.632 0 40 GJAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1ccc(C(F)(F)F)nc1O 8750185 DEHJPLQNQBEZIL-UHFFFAOYSA-N 394.437 4.693 0 40 GJAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 9220610 OOERMFHXAHSUAT-IBGZPJMESA-N 375.497 4.923 0 40 GJAB Cc1ccn2cc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)nc2c1 9416806 DSEQWSVHYRHGNW-LJQANCHMSA-N 379.510 4.554 0 40 GJAB O=C(Nc1cccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)c1)C1CC1 9592835 CMVCVACYXCYXAP-UHFFFAOYSA-N 392.480 4.987 0 40 GJAB COc1ccc2cc(CNC(=O)NCc3ccc(C(F)(F)F)cc3)ccc2c1 10205909 FYZWLLJNGIRXNM-UHFFFAOYSA-N 388.389 4.867 0 40 GJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1nc2c(s1)CCCC2 12550694 FCTLHBMSGAIJTG-UHFFFAOYSA-N 394.525 4.579 0 40 GJAB O=C1c2ccccc2N[C@H](c2c(Cl)cccc2Cl)N1C[C@@H]1CCCO1 12563068 AHIFVVXUCUNGAP-SGTLLEGYSA-N 377.271 4.739 0 40 GJAB O=C(Nc1ccccc1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 12753946 IIENODWRAOXZME-UHFFFAOYSA-N 392.286 4.876 0 40 GJAB CN(C)C(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 12767715 KLGGMAMRBUVKJP-UHFFFAOYSA-N 397.327 4.567 0 40 GJAB CNc1nc(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc12 12814259 AIBIYIZKTZFTEP-CQSZACIVSA-N 380.517 4.914 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCNC(=O)c1ccc(F)cc1F 12945193 MTTDSMMSSJSZOM-UHFFFAOYSA-N 388.458 4.970 0 40 GJAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)n1 13013458 PBMCRMFJEQMUPG-CQSZACIVSA-N 395.488 4.775 0 40 GJAB Cc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 13041415 JMAROJHJDNGIPK-UHFFFAOYSA-N 397.828 4.917 0 40 GJAB O=C(N/C(=C/c1ccc(Cl)cc1)C(=O)N1CCCCCC1)c1ccccc1 13306694 OCEJJKKSHFYPGS-CAPFRKAQSA-N 382.891 4.514 0 40 GJAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 15669614 WAMLIPGIIDLYLW-UHFFFAOYSA-N 379.460 4.830 0 40 GJAB O=C(/C=C/c1ccc(OC(F)F)cc1)N[C@@H]1CCSc2c(F)cccc21 16300650 HTPWDJHRMFJLSS-YXMGTMDOSA-N 379.403 4.794 0 40 GJAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1n[nH]c2ccccc12 17911248 HRMBBQHLJZGARC-QGZVFWFLSA-N 386.480 4.668 0 40 GJAB O=C(CSCc1ccc(F)cc1)NCCSCc1ccccc1Cl 20495168 BETZPUWXTIPCLP-UHFFFAOYSA-N 383.941 4.762 0 40 GJAB O=C(CCc1ncc(-c2ccccc2)o1)NCC1(N2CCCCC2)CCCCC1 22621273 HEJFVRUCKMZOLY-UHFFFAOYSA-N 395.547 4.579 0 40 GJAB CSc1ccc(Cl)c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 24828815 HEHLXOKGVDSYQV-UHFFFAOYSA-N 385.920 4.958 0 40 GJAB COc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccc(Cl)cn23)cc1 26687886 HJUASKNKEUNBMS-UHFFFAOYSA-N 383.860 4.977 0 40 GJAB CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CC(C)C 27698657 DRJDVAJWFMULJO-UHFFFAOYSA-N 384.476 4.721 0 40 GJAB C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)n1cc(Br)cn1 28224666 KFDGEBUSKCINMA-CYBMUJFWSA-N 386.249 4.638 0 40 GJAB COc1ccc(-c2nc(CSCC(=O)Nc3ccccc3F)cs2)cc1 31413214 PMLJACOHMSBGFV-UHFFFAOYSA-N 388.489 4.830 0 40 GJAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2c(Cl)cccc2Cl)CC1 32107113 HKMBBEVMDNJFQF-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB Cc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)c2cccnc12 32908720 CULWAKLJMWGIHD-UHFFFAOYSA-N 397.272 4.907 0 40 GJAB CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2C 36615947 FGSLUBLSTQSGPB-SFHVURJKSA-N 376.504 4.657 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccccc1Cl 36739817 TWLZSXBNRKPZTG-HXUWFJFHSA-N 378.859 4.840 0 40 GJAB Cc1ccnc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)c1 40143841 RVBOTSSHFPVIIN-UHFFFAOYSA-N 384.233 4.592 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 57412385 DWHNCDJUNDVQKO-UHFFFAOYSA-N 376.243 4.953 0 40 GJAB Cc1cc2oc(=O)cc(CN(Cc3cccs3)C[C@@H]3CCCO3)c2cc1C 57653053 ACTXXFSUSXMMQD-SFHVURJKSA-N 383.513 4.653 0 40 GJAB Cc1cccc(Oc2ncccc2NC(=O)c2ccn(-c3ccccc3)n2)c1C 59576416 YFAFJSNDBJSMHJ-UHFFFAOYSA-N 384.439 4.929 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1 69297570 DOIOTPMFWLZOLK-UHFFFAOYSA-N 382.504 4.522 0 40 GJAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cn[nH]c1-c1ccc(Cl)cc1 72328905 NSQGHLRGCQRQPB-UHFFFAOYSA-N 379.769 4.679 0 40 GJAB CC[C@@H](C)c1csc(N(C)S(=O)(=O)c2ccccc2C(F)(F)F)n1 84726928 KPLRNPJJOVTAET-SNVBAGLBSA-N 378.441 4.501 0 40 GJAB O=C(c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1)N1CCCCC1 96155439 BXTUSPLSASONLP-UHFFFAOYSA-N 388.446 4.557 0 40 GJAB Cc1ccc(OCc2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1C 96193882 LQXZMFWTYVRGIW-UHFFFAOYSA-N 376.441 4.795 0 40 GJAB Cc1nc2c(-c3cccc(Br)c3)cnn2c(O)c1Cc1ccccc1 104029771 ZVPONNMPSSQOOJ-UHFFFAOYSA-N 394.272 4.764 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1cc(C)cc(C)c1C 219304903 GBKTYFJGQJWKOO-INIZCTEOSA-N 399.516 4.539 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 223031033 QGCJXMGALJGKCY-JXFKEZNVSA-N 375.896 4.698 0 40 GJAB C[C@H](CNC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 224256551 WSXMUXRWLXCHPY-OAHLLOKOSA-N 398.300 4.901 0 40 GJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 225004385 IZACAODNQCHAFO-VQTJNVASSA-N 394.559 4.514 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=S)Nc1cccc(C(F)(F)F)c1 225449349 FADXWLOEPMNGNV-UHFFFAOYSA-N 390.434 4.686 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 225492505 VZPDPWTUJJQNBW-REWPJTCUSA-N 394.559 4.568 0 40 GJAB O=C(c1cc(Cl)cc(Cl)c1Cl)[C@@H](Br)CBr 379964244 HMHRRYOADCICFC-LURJTMIESA-N 395.305 4.988 0 40 GJAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)c(C)c1 408628990 YZXNSVDJWDGAFU-UHFFFAOYSA-N 391.452 4.831 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(C)cc2)n1 408698584 OGDAFWYUUYVOFN-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB CCc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1 648846 WBFYYCAAEYZPBS-UHFFFAOYSA-N 383.542 4.863 0 40 GJAB CCCc1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1CCCC2 1249379 JAOMGIXXSMDUAC-ZDUSSCGKSA-N 382.533 4.662 0 40 GJAB CN(C)c1nn(C(=S)Nc2cccc(C(F)(F)F)c2)cc1-c1ccccc1 1384679 QZGKDKHINWROPH-UHFFFAOYSA-N 390.434 4.880 0 40 GJAB O=c1c2cc(-c3ccccc3)sc2nnn1Cc1ccc(Cl)cc1Cl 1785060 IIPBMDHEWPQVIQ-UHFFFAOYSA-N 388.279 4.875 0 40 GJAB CC1(C)C[C@H](n2cnc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1 2245644 DNDYSWIKGUQZSY-GOSISDBHSA-N 378.516 4.798 0 40 GJAB CCc1cccc(C)c1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 2618624 YDTSPJOJGXUMDY-UHFFFAOYSA-N 390.270 4.825 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)cc1F 3325720 RKOWRLHDCSJEMQ-UHFFFAOYSA-N 395.814 4.937 0 40 GJAB C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ccc(Cl)cn1 3454011 MDEMRYDYPUHBFD-LLVKDONJSA-N 375.906 4.978 0 40 GJAB Cc1c(CC(=O)Nc2ccccc2F)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 4089565 YUMQXKIPWHPKLC-UHFFFAOYSA-N 395.430 4.525 0 40 GJAB biogenic CN(C)CCN(C(=O)c1ccccc1Cl)c1nc2c(Cl)cccc2s1 4359303 FKQPTXAELUYBLD-UHFFFAOYSA-N 394.327 4.812 0 40 GJAB Cc1ccc(CNC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 4743945 KOBSVDCUGMZPKW-UHFFFAOYSA-N 389.451 4.632 0 40 GJAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc2c(c1)CCC2 4966573 ZODRVOKJPLKZOP-UHFFFAOYSA-N 391.540 4.603 0 40 GJAB CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)c1 5173271 CFYZEEJFXWBREG-UHFFFAOYSA-N 386.455 4.770 0 40 GJAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)s1 5689467 XHGIFFMMXIFSIL-HXUWFJFHSA-N 378.453 4.552 0 40 GJAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(Cl)cc1Cl 5714855 YGTKDLNSKXSCCG-UHFFFAOYSA-N 388.250 4.871 0 40 GJAB O=C(CCC1CCCC1)NCc1cccc(CNC(=O)CCC2CCCC2)c1 6224859 WPLGEFQDTWUHLD-UHFFFAOYSA-N 384.564 4.860 0 40 GJAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cc(Cl)ccc1Cl 6544141 FMQQQPCKCWAAKM-UHFFFAOYSA-N 394.283 4.698 0 40 GJAB CC(=O)c1cccc(Oc2nc(CN3CCCC3)nc3sc(C)c(C)c23)c1 8192038 YGITZMUFNVELQG-UHFFFAOYSA-N 381.501 4.899 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)Cc1ccc(Br)cc1 8279389 SKCQIYZGSNBJGR-GFCCVEGCSA-N 389.318 4.821 0 40 GJAB Cc1oc2cc(OCC(=O)NC3CCCCC3)ccc2c(=O)c1-c1ccccc1 9483622 NAQDHMYXTPDNAP-UHFFFAOYSA-N 391.467 4.596 0 40 GJAB biogenic CCOc1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1 9816249 ILMHODMIYBVLPL-UHFFFAOYSA-N 384.657 4.519 0 40 GJAB CC(C)c1ccc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 12799874 LLYHTQQBQINIQU-UHFFFAOYSA-N 375.255 4.710 0 40 GJAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(Cl)c1Cl 12906252 YLZWZHBXXVDEOE-UHFFFAOYSA-N 386.662 4.989 0 40 GJAB CCOc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 12997917 UOECFPYGPQEEBM-UHFFFAOYSA-N 390.443 4.923 0 40 GJAB CC[C@@H](Sc1nnc(-c2ccco2)n1C(C)C)C(=O)Nc1ccccc1F 13956573 JIHIACLSNSDRAP-MRXNPFEDSA-N 388.468 4.768 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 13961070 FHJNAMKBZOMWTD-AWEZNQCLSA-N 387.625 4.918 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 14738950 MHSWQRARXMGDGB-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@]1(c2cccs2)CC(=O)N1c1ccccc1 15413514 QNHOKAYMSASUMN-QFIPXVFZSA-N 376.481 4.636 0 40 GJAB CCOc1cc(C=O)ccc1OCCCSc1nnc(-c2ccc(C)cc2)o1 15422810 WIAJLTWWGVXOTE-UHFFFAOYSA-N 398.484 4.817 0 40 GJAB CCOc1ccc(-n2c3c(c(SCc4ccccc4C)nc2=O)CCC3)cc1 15840512 FBSDXJGROOUMLO-UHFFFAOYSA-N 392.524 4.721 0 40 GJAB COc1ccccc1-c1noc(C)c1C(=O)N[C@@H](C)CCc1ccc(F)cc1 19579658 ZCOGBIWTYGQSCX-AWEZNQCLSA-N 382.435 4.549 0 40 GJAB COc1ccc(-c2noc(-c3cccc(NC(=O)c4ccccc4F)c3)n2)cc1 20900044 SVKWENJCFDBCPT-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccccc1C 21580727 WVERIMCTIKEHHI-UHFFFAOYSA-N 387.439 4.564 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1c(F)cccc1Cl 22907103 UMYXZQAESJPIEA-LJQANCHMSA-N 398.865 4.602 0 40 GJAB Cc1c(C(=O)NCCCO[C@H](C)c2ccccc2)cnn1-c1ccc(Cl)cc1 23022002 NFVBTAPEIWETNM-QGZVFWFLSA-N 397.906 4.732 0 40 GJAB C[C@@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)NCc1cccs1 31423912 IUQRNODTPPYGES-GFCCVEGCSA-N 392.933 4.995 0 40 GJAB C[C@H](NC(=O)c1ccc(F)cc1Br)c1cccc(OC(F)F)c1 32931090 GUHLVYVBOLUYEO-VIFPVBQESA-N 388.183 4.681 0 40 GJAB Cc1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 33326012 MUJPZGBJOCDXMN-GOSISDBHSA-N 393.512 4.687 0 40 GJAB O=C(O)c1ccc(N2N=C(c3ccc4c(c3)OCO4)C[C@H]2c2cccs2)cc1 35655316 RCBRPGIKFWEBCG-KRWDZBQOSA-N 392.436 4.531 0 40 GJAB CC[C@@H](NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)c1ccc(OC)cc1 36092723 AKRBXFCRANQGLD-FDDCHVKYSA-N 380.532 4.808 0 40 GJAB CCc1cc(C(=O)N2CCC[C@@H](C)C2)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621665 KOXJMTAUWLSYQI-MRXNPFEDSA-N 388.515 4.732 0 40 GJAB O=c1ccc(C(F)(F)F)cn1Cc1csc(Cc2ccc(Cl)cc2)n1 40090155 UFOGLXQHKOAYAX-UHFFFAOYSA-N 384.810 4.616 0 40 GJAB OC1=Nc2c(ncn2-c2ccc(OC(F)(F)F)cc2)[C@@H](c2ccc(O)cc2)C1 40286026 XUAXOPKVNFXPQF-OAHLLOKOSA-N 389.333 4.600 0 40 GJAB C[C@@H]1CCC[C@@H](n2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)[C@@H]1C 40396594 KZAQLJAAZKBOPK-STXHMFSFSA-N 390.462 4.848 0 40 GJAB C[C@H](NCc1ccccc1CN1CCCC1)C(=O)Nc1ccc2ccccc2c1 58160630 IRTSOURLXZOXEE-IBGZPJMESA-N 387.527 4.552 0 40 GJAB Cc1cc(CNC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c2[nH]c(C)c(C)c2c1 58168795 KEQUUVSBOIQQSX-OAQYLSRUSA-N 395.478 4.515 0 40 GJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccccc3F)oc12 67295878 GMCQJQWBCFKRSQ-NMWGTECJSA-N 395.415 4.522 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1Cl 72329359 RZVFLDJIBYTVGW-ZDUSSCGKSA-N 399.878 4.628 0 40 GJAB COc1ccc(CN2CCC[C@H](c3cncc(-c4cccc(OC)c4)n3)C2)cc1 72359291 GLKFDMGMXYOLFN-FQEVSTJZSA-N 389.499 4.540 0 40 GJAB Cc1[nH]c(C(=O)N(CCC(F)(F)F)C2CCCC2)c(C)c1C(=O)OC(C)C 79055528 NWTNUDPBQATOKN-UHFFFAOYSA-N 388.430 4.534 0 40 GJAB C[C@H](NC(=O)CCC(=O)N[C@H](C)c1ccccc1)c1ccc(Cl)cc1Cl 89905537 OVPSVLAJFOJCIS-KGLIPLIRSA-N 393.314 4.828 0 40 GJAB Cc1ccc(CCC(=O)N(c2ccc(N(C)C)cc2)[C@H](C)c2ccccn2)o1 95468119 XYVSAVZMRALIDO-GOSISDBHSA-N 377.488 4.776 0 40 GJAB CN1C(=O)c2cc(NC(=O)c3cc(F)ccc3Cl)ccc2Oc2ncccc21 95474531 PJVGWWBVJIAJNS-UHFFFAOYSA-N 397.793 4.509 0 40 GJAB Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C#N)cc21 95629789 LBAPTEXRVPLOEW-UHFFFAOYSA-N 379.620 4.744 0 40 GJAB CC[C@H]1Oc2cc([C@H](C)NCc3cc(C)nc4ccccc34)ccc2NC1=O 95985469 QOTPIJQPFQNXHL-YCRPNKLZSA-N 375.472 4.504 0 40 GJAB C[C@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)[C@@H]2CCCC[C@@H]12 195529264 ZMHKAXHAYPOCNU-FFZOFVMBSA-N 396.556 4.719 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 219302990 NHVCQAXAXXDXCI-YLJYHZDGSA-N 397.515 4.806 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1nccs1 222591450 PNMUDKSBEINCEP-MORSLUCNSA-N 395.557 4.535 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1 224363580 SLKCUKFWTPJBKE-UHFFFAOYSA-N 377.440 4.925 0 40 GJAB Cc1ccc(SCCNC(=S)Nc2cccc(Br)c2)cc1 225285749 FFRHJCOLPCWXLV-UHFFFAOYSA-N 381.364 4.836 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCCCC1 225711188 GWCAWBFYVQFAKS-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3cccc(F)c3)N21 260774906 ODIOEDGEFABIEH-CZAAIQMYSA-N 392.503 4.991 0 40 GJAB CCCc1ccc(OCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 260848635 OFYNIROKHBOXFR-FQEVSTJZSA-N 394.559 4.680 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)OC)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 408626116 ZWIKECLFGIFQCD-WYZBVHOTSA-N 391.467 4.556 0 40 GJAB O=C(Nc1ccccc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408771206 DWQQNPINUPCFAX-QHCPKHFHSA-N 388.492 4.713 0 40 GJAB Cc1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC2(C3)CC2(F)F)c(OC(C)C)c1 527808412 GZMMIBLPSYEMST-IRXDYDNUSA-N 378.463 4.644 0 40 GJAB O=C(O)Cc1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 544390479 FDMQLCTVNHDHPU-UHFFFAOYSA-N 395.842 4.798 0 40 GJAB O=c1oc2ccccc2c(O)c1-c1c(-c2ccc(F)c(F)c2)nc2ccccn12 604419196 GSUJBWKQUXPBPO-UHFFFAOYSA-N 390.345 4.759 0 40 GJAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(OCc3cccnc3)c2)c1 612118271 GHXWINCDRSIMAF-UHFFFAOYSA-N 376.456 4.916 0 40 GJAB COc1ccc(-c2nc(CNc3ccc4c(c3)CCCC(=O)N4)cs2)cc1 676323319 OJJUFXZDNOCESQ-UHFFFAOYSA-N 379.485 4.706 0 40 GJAB Cc1ccc(-c2nn3c(CSC45CC6CC(CC(C6)C4)C5)nnc3s2)cn1 1501040219 GVWPCLVRWZSCTI-UHFFFAOYSA-N 397.573 4.758 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)cc1F 1615157336 MLMRDLSAQSFORF-QHCPKHFHSA-N 384.470 4.937 0 40 GJAB O=c1c2ccccc2nc(-c2ccccc2)n1Nc1ccc(Br)cc1 643866 YOQUKWDANBRUAW-UHFFFAOYSA-N 392.256 4.701 0 40 GJAB C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 678436 QLUMTOGTQHGBPT-FEIQLAPHSA-N 383.422 4.612 0 40 GJAB COC(=O)c1c(NC(=O)/C=C/c2ccc(Br)cc2)sc(C)c1C 2751491 PCMBRWNHXYETSQ-RMKNXTFCSA-N 394.290 4.566 0 40 GJAB CC(=O)O[C@@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2C[C@@H](O)[C@](C)(C3SCCS3)C[C@@H]21 4114357 GEFRKHXTFACOQE-XSNWEMFJSA-N 398.634 4.718 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2)cc1C 4649019 PTVZYVBWYYGJSY-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2N=C3CCCCC[C@@H]3[C@]2(O)C(F)(F)F)cc1 4673054 OHLBUEFLBNSUHL-KXBFYZLASA-N 382.426 4.627 0 40 GJAB Cc1cccc2nc(-c3ccc(N(C)C)cc3)c(Nc3ccc4c(c3)OCO4)n12 4735088 GQSJNQVQMMMSSQ-UHFFFAOYSA-N 386.455 4.848 0 40 GJAB O=C(c1ccccc1)c1cn(Cc2ccccc2)c2c(F)cc(F)cc2c1=O 4936811 UIHLDMUVPGALHZ-UHFFFAOYSA-N 375.374 4.559 0 40 GJAB CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 5002929 QZNQTLPLRIJJML-OMXAPOSASA-N 397.302 4.743 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3nc4ccccc4s3)n2)cc1OC 5446671 HTSGJHYMVFXJKV-UHFFFAOYSA-N 397.481 4.689 0 40 GJAB CCc1ccc(NC(=S)NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 5569375 QCYBTIGOJKMWCD-UHFFFAOYSA-N 383.300 4.691 0 40 GJAB Cc1ccc(N(C(=O)c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 5794312 XKGXEZRKMVSSEW-UHFFFAOYSA-N 399.899 4.993 0 40 GJAB CCCc1ccc(-c2csc(NC(=O)c3ccc(NC(C)=O)cc3)n2)cc1 6221566 IEOLDFOYGFOAGO-UHFFFAOYSA-N 379.485 4.973 0 40 GJAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 6431004 RWKCQZMIPLFDHX-UHFFFAOYSA-N 381.350 4.586 0 40 GJAB COc1ccccc1[C@@H]1c2c(-c3ccc(F)cc3)n[nH]c2C(=O)N1c1ccccc1 6786987 ZYMBKTWILPWRIN-HSZRJFAPSA-N 399.425 4.974 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cccc(Cl)c1Cl 7016296 KHZLPLZGEQOIJD-UHFFFAOYSA-N 390.270 4.813 0 40 GJAB O=C(NCCSCc1ccccc1)c1cc(Br)ccc1Cl 7642443 UHCPHVUGOBJKCN-UHFFFAOYSA-N 384.726 4.766 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1 7688053 ILSXPYZUBFSYKV-UHFFFAOYSA-N 375.906 4.665 0 40 GJAB CC(=O)c1sc(NC(=O)COc2cc(C)cc(C)c2)nc1-c1ccccc1 7800022 QNYPZDKEYLWPQN-UHFFFAOYSA-N 380.469 4.647 0 40 GJAB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccccc1C 7939764 UQLXBSFDKLQENB-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)c(Cl)c1Cl 8330316 YUHLMHFMAOROML-UHFFFAOYSA-N 380.680 4.765 0 40 GJAB CCCCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)cc1 8715834 PQWRCSKATFCCLP-UHFFFAOYSA-N 394.496 4.573 0 40 GJAB Cc1cc(OCC(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc(C)c1Cl 9250594 DADCWFRKEOSKAF-UHFFFAOYSA-N 392.789 4.908 0 40 GJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1ccc(Cl)cc1Cl 10446751 LAQMEGZVRDLNJK-UHFFFAOYSA-N 391.302 4.900 0 40 GJAB Cc1nc(-c2ccc(NC(=O)C3CC3)cc2)sc1C(=O)Nc1ccccc1 11181081 XPCBNBANYGTLAM-UHFFFAOYSA-N 377.469 4.719 0 40 GJAB COc1cc(OC)c(NC(=O)CCc2nc3ccccc3s2)cc1Cl 11601548 MTNBXJNRYSQFHN-UHFFFAOYSA-N 376.865 4.538 0 40 GJAB C[C@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccc(F)cc3)c2c1=O 11990631 LKJRWXHLUGUPIC-CYBMUJFWSA-N 378.428 4.708 0 40 GJAB CCn1c(C2CC2)nn(CN(C)C(c2ccccc2)c2ccccc2)c1=S 12817644 SULLIFNQEGEYMQ-UHFFFAOYSA-N 378.545 4.990 0 40 GJAB COc1ccc(-c2c/c(=N\c3ccc4c(c3)OCO4)c3cc(O)ccc3o2)cc1 13541477 DDJRCMGWFHEAEA-LYBHJNIJSA-N 387.391 4.775 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 14001178 KAEDXBGVRZEFAF-UHFFFAOYSA-N 394.515 4.762 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 14814537 HBRXJAGWVGFKFL-UHFFFAOYSA-N 380.835 4.751 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccc(CN2CCCC2)cc1 15185457 GDAPNWODJAYIFC-UHFFFAOYSA-N 392.522 4.514 0 40 GJAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cc(C)cc(C)c2)o1 15881437 BNTPWGBEGNBPSY-UHFFFAOYSA-N 388.471 4.899 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 20492058 VJQGAZKQZCZSJQ-KDOFPFPSSA-N 388.895 4.664 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)N2CCCC[C@H]2CCN2CCCCC2)cc1 21170524 HBCJKKJEHFEPNA-NRFANRHFSA-N 386.580 4.620 0 40 GJAB C[C@H](CC(=O)N(Cc1cccs1)Cc1cccs1)NC(=O)c1ccccc1 24465953 MLVHROKKCGHVRQ-MRXNPFEDSA-N 398.553 4.547 0 40 GJAB CC[C@H](Sc1nc(N)c2c(C)c(C)sc2n1)C(=O)Nc1ccc(F)cc1 24774020 SBNWSBJMTVTYGL-ZDUSSCGKSA-N 390.509 4.539 0 40 GJAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)cc1 27350517 UDWLHEXWQQMQSR-APWZRJJASA-N 392.421 4.649 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2cccs2)o1 31345315 PVSWXPJBLIIRDW-UHFFFAOYSA-N 377.469 4.774 0 40 GJAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 35105592 LPTCXUNKCOMXID-XOBRGWDASA-N 391.496 4.783 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)C1 38833965 RMPAKOIEQZXBLS-HNNXBMFYSA-N 387.321 4.933 0 40 GJAB C[C@@H]1CCC[C@H](n2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)[C@@H]1C 40396590 KZAQLJAAZKBOPK-SXGZJXTBSA-N 390.462 4.848 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1C 43037421 BWJSFLQCQPPZPH-ZWKOTPCHSA-N 378.472 4.618 0 40 GJAB O=C(Nc1cccc(Br)c1)Nc1ccc(F)cc1Br 51354358 CYEZMDNUCKXZFY-UHFFFAOYSA-N 388.034 4.995 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364555 LYTOBKUUCWRZKY-MRXNPFEDSA-N 378.859 4.807 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1C 57314345 STYHCIDSLFOGHM-UHFFFAOYSA-N 399.538 4.878 0 40 GJAB COc1cc(NC(=O)[C@H](C)N[C@H](C)c2cccc3ccccc23)cc(OC)c1 57380653 COHVSFXWVGRESB-CVEARBPZSA-N 378.472 4.535 0 40 GJAB O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 67142325 MICWABZRHVVJHJ-CYBMUJFWSA-N 391.368 4.741 0 40 GJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1Br 72211640 UXXMUGDIJPMFRR-INIZCTEOSA-N 375.266 4.708 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2Nc2ccccc2)cc1 72214148 ISURTZGROUWSRT-NRFANRHFSA-N 393.512 4.659 0 40 GJAB CCCCc1ccc(CC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1 72270805 GCGBUOLQAYUBBA-UHFFFAOYSA-N 393.527 4.702 0 40 GJAB COc1ccc(CN2CCC[C@@H](c3nccnc3-c3ccccc3F)C2)cc1 72358395 ZFEMHVWTPHHAEI-GOSISDBHSA-N 377.463 4.671 0 40 GJAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N(CC(F)(F)F)C1CCC1 79019272 VGQIXJJFRCTGRI-UHFFFAOYSA-N 391.437 4.834 0 40 GJAB O=C(CSc1ncnc2c(-c3ccccc3)c[nH]c12)NCCC1=CCCCC1 90610144 QGKTWIZHUWAMMD-UHFFFAOYSA-N 392.528 4.724 0 40 GJAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1cccc2ccccc12 90613561 RHWAKUAGTQVKER-HXUWFJFHSA-N 379.506 4.975 0 40 GJAB CC(C)n1c([C@H](C)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)nc2ccccc21 95941371 HGQMZYPPJOJDLH-UONOGXRCSA-N 386.446 4.573 0 40 GJAB COc1ccc(N(C)c2ccc3ccc(C(=O)Nc4ccc(C)cn4)cn23)cc1 96146227 JOPWTNIRKNFVCN-UHFFFAOYSA-N 386.455 4.672 0 40 GJAB O=S(=O)(NCc1cncc(-c2ccsc2)c1)c1c(Cl)cccc1Cl 206951051 LMLXCJQICKLTCF-UHFFFAOYSA-N 399.324 4.595 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1OCC 222963511 VYRXUDQINDOPPW-IBGZPJMESA-N 385.504 4.575 0 40 GJAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)cc1 224875445 JYORRAVMQQGAQH-UHFFFAOYSA-N 385.261 4.984 0 40 GJAB Cc1ccnc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1 225366497 CYHPCQHNNHKFDK-UHFFFAOYSA-N 386.373 4.917 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)c(C)c1 225704571 SUXBMLDXKHLLCE-HXUWFJFHSA-N 398.528 4.544 0 40 GJAB Nc1nc2c(Cl)cc(NC(=O)c3ccccc3Br)cc2s1 226310531 GEHMKABUJBAETD-UHFFFAOYSA-N 382.670 4.547 0 40 GJAB CC(C)n1nccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257231463 GGUAYTUIYXRXNG-LJQANCHMSA-N 396.466 4.549 0 40 GJAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260814456 IMMUUUFMRMEUBZ-AUSIDOKSSA-N 390.568 4.720 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F 408561617 UECSLUROSWXCQO-UHFFFAOYSA-N 379.787 4.558 0 40 GJAB COc1ccc(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)O)c(OC)c1 408880377 HNYRXQKGJJZITC-UHFFFAOYSA-N 384.457 4.506 0 40 GJAB COc1ccc(-c2cc(C(=O)N(C)C3CCCC3)nn2-c2ccccc2)cc1 514575020 WUBMAFPLTPZRRV-UHFFFAOYSA-N 375.472 4.563 0 40 GJAB O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCC[C@@H]2COCC[C@@H]21 531796840 XGIGIAVYPPSKOT-NQIIRXRSSA-N 385.891 4.560 0 40 GJAB CC[C@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(OC)cc3)ccc21 585106134 PVQHGTXCQJTVOP-KRWDZBQOSA-N 379.500 4.803 0 40 GJAB O=C(NC(=S)Nc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1 675030637 BPUCZRAZGIFADI-UHFFFAOYSA-N 380.444 4.532 0 40 GJAB COc1ccc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)cc1OC 1342888 NUVDCQQSSJQHAY-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC 3444240 SOIMYDGNZKBMJP-UHFFFAOYSA-N 390.867 4.738 0 40 GJAB CC(=O)c1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1 4031746 CURCWLMWBUPNMA-UHFFFAOYSA-N 375.247 4.514 0 40 GJAB O=C(c1ccco1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 5022715 BUAJDIJSJPZOMI-HNNXBMFYSA-N 385.217 4.627 0 40 GJAB O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 5120190 BKGMDGXFQNTUIV-AQTBWJFISA-N 399.837 4.532 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)NCc1cccs1 5242806 MMSSISKDVOXLAB-UHFFFAOYSA-N 391.521 4.767 0 40 GJAB O=c1ccc(C(F)(F)F)cn1Cc1cn(-c2ccccc2)nc1-c1ccccc1 5563500 JVRPXWYFKZNCDY-UHFFFAOYSA-N 395.384 4.768 0 40 GJAB Cc1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3ccccc3Cl)c12 6275825 XFNILXULBVBDQA-UHFFFAOYSA-N 395.818 4.547 0 40 GJAB COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1Br 6736697 HNBNKICNWBRDEW-UHFFFAOYSA-N 397.681 4.973 0 40 GJAB C[C@@H](OC(=O)c1cncc(Br)c1)C(=O)c1ccc(C(C)(C)C)cc1 6916750 ZZBJHRWKHJCLHM-GFCCVEGCSA-N 390.277 4.570 0 40 GJAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 7786031 XLTWBQWZLRZLFQ-UHFFFAOYSA-N 386.498 4.998 0 40 GJAB Cc1ccc(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1Cl 7945321 OHNRXSUFHHPSKK-UHFFFAOYSA-N 376.847 4.694 0 40 GJAB CC(C)c1ccc(-c2nnc(NC(=O)c3cnc4ccccc4n3)s2)cc1 8076516 FOFSOYKHCDAYDJ-UHFFFAOYSA-N 375.457 4.524 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 8336441 XMUFTWYRCUSYBK-UHFFFAOYSA-N 397.906 4.607 0 40 GJAB Cc1cc(NC(=O)Cc2cccc(F)c2)n(-c2cccc(C(F)(F)F)c2)n1 8704831 TULJTPZTVRJVFF-UHFFFAOYSA-N 377.341 4.520 0 40 GJAB COc1ccccc1[C@@H]1CC(=O)c2c(C)nn(-c3nc4ccccc4s3)c2C1 10157237 BBYPYYIAMRSSFN-AWEZNQCLSA-N 389.480 4.712 0 40 GJAB Cc1ccccc1OCC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 10692662 LHESKRNGFNTJPW-OAQYLSRUSA-N 384.479 4.803 0 40 GJAB Cc1nc(SCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)n(CC(C)C)c1C 11306739 REHRAUVFKHWLIM-FQEVSTJZSA-N 391.556 4.901 0 40 GJAB COc1ccc(-c2cn3c(C(=O)Nc4cc(C)ccc4C)csc3n2)cc1 11902865 JYPONGBWHNQHCB-UHFFFAOYSA-N 377.469 4.941 0 40 GJAB C[C@@H](CN[C@@H](Cc1ccsc1)c1nccs1)Cc1ccc2c(c1)OCO2 12220799 MIJLLFWNPXKPLQ-PBHICJAKSA-N 386.542 4.686 0 40 GJAB CCCOc1cc(Nc2ccc(NC(=O)c3cccc(OC)c3)cc2)nc(C)n1 12225536 YZQYNPIJVFSIKZ-UHFFFAOYSA-N 392.459 4.578 0 40 GJAB C[C@@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1cccs1 12548114 DGPOMKUJFZBECI-GFCCVEGCSA-N 385.489 4.683 0 40 GJAB O=C(Nc1nn2cc(-c3ccccc3)nc2s1)c1cc2c(s1)CCCC2 12623900 ZHCRMSOWXHVVPY-UHFFFAOYSA-N 380.498 4.650 0 40 GJAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12977775 ZFLPPLFNINKGNB-KIZRYQFWSA-N 394.559 4.956 0 40 GJAB COC(=O)c1c(NC(=S)Nc2cc(C(C)(C)C)ccc2O)sc(C)c1C 17080260 DIDNSRUZQRBNPU-UHFFFAOYSA-N 392.546 4.964 0 40 GJAB CCOC(=O)/C=C(/C)Nc1cccc2c(N/C(C)=C\C(=O)OCC)cccc12 17128480 HQRKMAUKPPPCQU-VMNXYWKNSA-N 382.460 4.597 0 40 GJAB O=C(NCCOc1ccc(Cl)cc1)c1cc(Br)ccc1Cl 18150989 PGFRCJNLOUDIAD-UHFFFAOYSA-N 389.076 4.565 0 40 GJAB Cc1ccc(C(=O)Nc2ncc(CN3CC[C@@H](c4ccccc4)C3)s2)cc1 19873246 LNFNXXMHRXNNTG-LJQANCHMSA-N 377.513 4.693 0 40 GJAB CCOc1cccc(CNC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 22525034 QSVCCMNTCKZIKG-JJIBRWJFSA-N 387.479 4.951 0 40 GJAB Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 23156945 ALQIHKKHRCNQNN-HSMVNMDESA-N 390.940 4.526 0 40 GJAB COc1ccc(CN(C(=O)CSCc2nc3ccccc3s2)C2CC2)cc1 23925569 YVBOWPSDJZWEJF-UHFFFAOYSA-N 398.553 4.729 0 40 GJAB CC(=O)c1ccc(-c2ccc(C(=O)NCCOc3ccc(Cl)cc3)o2)cc1 24275777 QOSRROTXWPRAID-UHFFFAOYSA-N 383.831 4.611 0 40 GJAB CCCOc1ccc(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 27994587 BOVKKOOJPFKYPK-UHFFFAOYSA-N 396.512 4.580 0 40 GJAB CCN(CC)[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 28291913 UFLQZNXYUGHCIO-JOCHJYFZSA-N 382.548 4.562 0 40 GJAB Cc1cc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1C(C)C 29796726 YYWCDQXKFBDWDD-OAQYLSRUSA-N 395.499 4.632 0 40 GJAB Cc1cc(NC(=O)CCc2ccc(Cl)cc2Cl)ccc1N1CCCC1=O 30769071 GIAVOFNNBHTTRR-UHFFFAOYSA-N 391.298 5.000 0 40 GJAB Cc1ccc(-n2nnnc2SCc2ccc(Cl)c3cccnc23)c(C)c1 31644897 NDLIOFJREUSPOA-UHFFFAOYSA-N 381.892 4.773 0 40 GJAB Cc1nc(COc2ccccc2C(=O)N2CCCc3cc(C(C)C)ccc32)no1 40090498 TVBJBMXKLPEZGO-UHFFFAOYSA-N 391.471 4.673 0 40 GJAB CC(=O)Nc1ccc(NC(=O)N[C@H](C)CCc2ccccc2)c(C(F)(F)F)c1 40104407 QJQROXJIEPDYFQ-CYBMUJFWSA-N 393.409 4.807 0 40 GJAB CC(C)c1nnc(NC(=O)c2cccnc2SCc2ccc(F)cc2)s1 40131857 JHYHFVYRCASYDX-UHFFFAOYSA-N 388.493 4.740 0 40 GJAB CC(C)c1nn(CN(Cc2ccccc2)C[C@@H]2CCCO2)c(=S)n1C1CC1 57991462 BRAOAVWNALLYBT-IBGZPJMESA-N 386.565 4.511 0 40 GJAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 58356466 BMHGFBAOSMFTHG-TZZQJPOUSA-N 375.875 4.582 0 40 GJAB CC(C)(C)c1ncc(C(=O)Nc2nc(-c3ccc4c(c3)COC4)cs2)s1 61337506 XFVAJGOVXQLWCB-UHFFFAOYSA-N 385.514 4.847 0 40 GJAB O=C(NCc1ncc(-c2ccccc2)o1)c1c[nH]cc1-c1ccc(Cl)s1 63915684 GLDQZYLIRIILPH-UHFFFAOYSA-N 383.860 4.982 0 40 GJAB Cc1ccc(Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)cc1C 67258319 WLXRPMYWFJWEHS-UHFFFAOYSA-N 396.899 4.532 0 40 GJAB Cc1noc(C)c1CN1CCC2(CC1)C[C@H]2c1nc(-c2cccc(Cl)c2)no1 69668420 XFJBIBASDCIVBC-SFHVURJKSA-N 398.894 4.765 0 40 GJAB Cc1nnc(Nc2cccc(C3CCN(Cc4ccccc4C)CC3)n2)s1 72376155 PUABNHDZYBSXBI-UHFFFAOYSA-N 379.533 4.673 0 40 GJAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)C2CCCCC2)n1 72390722 DYQLNNWSKHZJPU-LJQANCHMSA-N 396.535 4.945 0 40 GJAB O=C(Cc1ccccc1Cl)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200195 FIKTZLJOURMSRC-ZWKOTPCHSA-N 386.879 4.559 0 40 GJAB Cc1nccn1-c1ccc([C@@H](C)Nc2nc(-c3ccncc3)nc3c2CCC3)cc1 79046614 SITUIGCYIGMDCH-MRXNPFEDSA-N 396.498 4.695 0 40 GJAB Cc1ccc(-c2nc(S(=O)(=O)N3CCCCC3)c(-c3ccccc3)s2)cc1 94992809 NLLAABRWLNCHFJ-UHFFFAOYSA-N 398.553 4.960 0 40 GJAB CCOc1ccc(NC(=O)Nc2ccccc2Cc2nc(C3CC3)no2)cc1 96119607 WBNKUJHKUGYFAI-UHFFFAOYSA-N 378.432 4.581 0 40 GJAB Cc1cc(Cl)ccc1N1C(=O)C[C@H](Cc2ccc(Br)cc2)C1=O 100561388 QQMLDIPMRMTFCX-ZDUSSCGKSA-N 392.680 4.533 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 222949592 RBTDJWKJNPSGNV-LSDHHAIUSA-N 396.379 4.678 0 40 GJAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 224384112 GPQCBVYQCBBDIN-LEWJYISDSA-N 376.529 4.721 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)N[C@H](C)CC 225748181 VXVAMZHDXNHHHQ-DYVFJYSZSA-N 387.351 4.815 0 40 GJAB O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2c1cccc2C(F)(F)F 225827183 FSQIYRYBDUVDRJ-UHFFFAOYSA-N 375.390 4.705 0 40 GJAB COc1ccc(CCNC(=S)c2ccc(OCc3ccc(F)cc3)cc2)cc1 408571267 AUZPTZWJLZADMW-UHFFFAOYSA-N 395.499 4.921 0 40 GJAB CN(C)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 408576888 YOKUUQVTHJNHKZ-FYWRMAATSA-N 391.496 4.539 0 40 GJAB COc1c(F)c(F)c(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c(F)c1F 408629155 MKYMKMDQNRTYHZ-NSHDSACASA-N 396.384 4.883 0 40 GJAB CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H]1C[C@H]1c1ccc3ccccc3c1)CC2 534410052 DWZDBHNAZAKYJT-LOSJGSFVSA-N 383.491 4.773 0 40 GJAB C[C@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(F)cc4)cc3cc21 575473201 MZPVVHZNARIHHN-ZDUSSCGKSA-N 379.431 4.885 0 40 GJAB O=C(N[C@H]1C[C@@H](C(=O)O)c2ccccc21)OCC1c2ccccc2-c2ccccc21 685944820 ASVZIEVAFBQBPI-GGAORHGYSA-N 399.446 4.838 0 40 GJAB Cc1cc(F)ccc1CC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615153336 CHKKQCZANYRSRL-GCJKJVERSA-N 398.497 4.722 0 40 GJAB CC(C)N1C(=O)S/C(=C\c2cccn2-c2cccc(Br)c2)C1=O 1008444 YFAYFACWNJKPDW-GDNBJRDFSA-N 391.290 4.685 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 1980274 DEGHBOASKPOBHY-MRXNPFEDSA-N 384.545 4.819 0 40 GJAB COc1cc(OC)cc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 2209733 IJCLUGQGXDJQBF-UHFFFAOYSA-N 382.423 4.653 0 40 GJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2F)c(OC)c1 2271264 DFIKORFSKDUDBB-NRFANRHFSA-N 378.403 4.614 0 40 GJAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC(C)C)c(Cl)c3n2)cc1 2289527 LEEWBMLQXOUAJU-UHFFFAOYSA-N 397.784 4.942 0 40 GJAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCC1CCCC1 2315285 WOQJFDJPYWJVMC-UHFFFAOYSA-N 393.281 4.626 0 40 GJAB c1ccc(-c2cc3c(NC[C@H]4COc5ccccc5O4)ncnc3s2)cc1 2632465 SYZTWBPKCRNLCK-HNNXBMFYSA-N 375.453 4.610 0 40 GJAB aggregator COc1ccc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1OC 2961322 NUAFNANVACVZKH-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccc2ccccc2c1 3374012 MLDFNZNCNUMZPV-UHFFFAOYSA-N 385.419 4.797 0 40 GJAB Cc1cccc(-c2nnc(SCc3cc(=O)oc4c(C)c(C)ccc34)n2C)c1 3391167 FLJOCLQGQYZDNY-UHFFFAOYSA-N 391.496 4.806 0 40 GJAB C[C@@H]1CCc2c(sc3ncnc(N4CCN(c5ccccc5Cl)CC4)c23)C1 3453527 VUIFTBNYYMKAHJ-CQSZACIVSA-N 398.963 4.796 0 40 GJAB Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn23)cc1C 4735174 BHHCPMKJXHGTDO-UHFFFAOYSA-N 399.498 4.593 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccccc1Cl 5099314 NZVUQDUXSCBUEH-UHFFFAOYSA-N 380.831 4.778 0 40 GJAB CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1ccco1 5125605 QERSJCDSQCNMSE-UHFFFAOYSA-N 390.376 4.747 0 40 GJAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3cccc(F)c3)nc2c1 5142282 ZRMCLIZWFUPUEP-UHFFFAOYSA-N 393.443 4.686 0 40 GJAB O=C(CN1CCCCC1)Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1 5451906 LVCKCGVHPXOVDI-UHFFFAOYSA-N 396.874 4.538 0 40 GJAB CCOc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC 6047789 VELSPGXOBDGVEB-UHFFFAOYSA-N 387.520 4.581 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2c3c(nc4ccccc24)CCC3)c(C)c1 7119841 KWLDYPINXBFOSR-MRXNPFEDSA-N 388.467 4.524 0 40 GJAB COc1ccc(CNCc2ccc(OCc3ccccc3C)c(OC)c2)cc1 7538575 QGYFDKKKALJZIC-UHFFFAOYSA-N 377.484 4.881 0 40 GJAB CN(C)Cc1ccccc1CNC(=O)c1sc2cc(F)ccc2c1Cl 7941552 ZQTMWLFQRLCFMY-UHFFFAOYSA-N 376.884 4.685 0 40 GJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCCc2ccccc21 8189464 VVANDZIPADECMX-UHFFFAOYSA-N 380.451 4.527 0 40 GJAB Cc1ccc(-c2csc(NC(=O)CCn3c(=O)sc4ccccc43)n2)cc1 9165218 CMJGYDFXIAOKTN-UHFFFAOYSA-N 395.509 4.524 0 40 GJAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(OC[C@H]2CCCO2)cc1 9582779 RPFKGAIRMKXCEH-RTWAWAEBSA-N 385.891 4.779 0 40 GJAB COc1ccc([C@H](NC(=O)/C=C/c2cccc3ccccc23)c2nccn2C)cc1 10322958 BUSQKUILRBVBTJ-ZHSJKAEUSA-N 397.478 4.501 0 40 GJAB Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(c4ccccc4)C3=O)o2)cc1 12629014 WBLBIROGJYQCRL-AQTBWJFISA-N 376.437 4.837 0 40 GJAB CCOc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12935835 ILUHPKLTNCTKDV-QHCPKHFHSA-N 392.524 4.733 0 40 GJAB O=C(Nc1ccccc1Br)c1cccc(OCc2cscn2)c1 12974630 LLUNFHCBBSTTLF-UHFFFAOYSA-N 389.274 4.737 0 40 GJAB CCCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 14582657 QUHMQXOPRZEDCM-UHFFFAOYSA-N 385.514 4.872 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3)n2)cc1 14609529 HIGUMDDJOFVAAM-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(SC(F)F)cc1 15576314 RONWLUQVBUVBCB-GOSISDBHSA-N 388.439 4.904 0 40 GJAB Cc1ccc(C)c(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 16899413 HRSQSBWYEZSKRX-MRXNPFEDSA-N 394.418 4.764 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1 17079622 JHPMSZKTYUVTGU-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB c1cc(-c2nnc(NCc3ccc4c(c3)OCO4)nc2-c2ccsc2)cs1 19345837 PGACCQBZVIEHOM-UHFFFAOYSA-N 394.481 4.669 0 40 GJAB CC(C)C(=O)Nc1ccc2nc(SCC(=O)N(C)c3ccccc3)sc2c1 20894840 BVKKMRGUJDHKQT-UHFFFAOYSA-N 399.541 4.646 0 40 GJAB Cc1c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)[nH]c2c1C(=O)CC(C)(C)C2 23531760 BJBYNBLMKHNKEP-UHFFFAOYSA-N 392.421 4.769 0 40 GJAB Cc1c(O)ccc2c(CN(Cc3c(F)cccc3Cl)C3CC3)cc(=O)oc12 27370474 FBDWQGOVLSFHJA-UHFFFAOYSA-N 387.838 4.764 0 40 GJAB O=C(Nc1cc(-c2nc3cnccc3o2)ccc1Cl)c1cccnc1Cl 32102918 INKBXCQPBGQZRQ-UHFFFAOYSA-N 385.210 4.844 0 40 GJAB O=C(Cc1cccc(F)c1)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 32954326 AIHGKCOQMUZRNO-UHFFFAOYSA-N 387.410 4.943 0 40 GJAB Cc1ccc(C(C)C)c(OC(C)(C)C(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 35316662 RURXNTLOLDJMOQ-UHFFFAOYSA-N 398.532 4.772 0 40 GJAB O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36359118 UKJNJLQBZBSYET-QFIPXVFZSA-N 388.511 4.802 0 40 GJAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C)cn2)c1 36761120 SYISCLANYGILFM-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 40062610 AMXRNGMHEGVNBU-NRFANRHFSA-N 386.455 4.677 0 40 GJAB O=C(CCCCCn1sc2ccccc2c1=O)Nc1ccc2[nH]ccc2c1 40283876 OMKQVXFWCVYFKO-UHFFFAOYSA-N 379.485 4.743 0 40 GJAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccc(SC)cc2)c1 40287135 KSQGJRNFULQBIJ-INIZCTEOSA-N 395.484 4.735 0 40 GJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@H](C)c1cc2ccccc2o1 57543918 GUDQRSPSYNAINM-CQSZACIVSA-N 377.444 4.972 0 40 GJAB Cc1sc(NS(=O)(=O)c2ccc(Cl)s2)nc1-c1ccc(F)cc1 57692689 ULXKIKKGPZXBRG-UHFFFAOYSA-N 388.898 4.773 0 40 GJAB O=C(CSCc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 59344205 VAOANEFKVXWJHK-UHFFFAOYSA-N 382.529 4.621 0 40 GJAB CN(C)CCOc1ccc([C@H](c2ccccc2)[C@H](CCO)c2ccccc2)cc1 71625202 LSBUBGBAISEBHG-FTJBHMTQSA-N 389.539 4.925 0 40 GJAB CCn1nccc1/C=C1\C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 71785065 WJBPXFYDIOPTIY-ASTPDVRASA-N 378.516 4.519 0 40 GJAB CN(C)c1cccc(C(=O)N2CCC[C@H](c3cccc(-c4ccccc4)n3)C2)c1 72361037 QAMUXFMRNCHEHX-NRFANRHFSA-N 385.511 4.834 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(Oc2ccc(Cl)cn2)CC1 96024952 QLOGTEDBVAHAKR-UHFFFAOYSA-N 399.800 4.829 0 40 GJAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CCCCO5)cc34)co2)cc1 96037817 AYITWGJAHDRPII-UHFFFAOYSA-N 389.411 4.626 0 40 GJAB CC(C)(C)OC(=O)N1CCC(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 98211010 CCBNABYLCKBLAB-UHFFFAOYSA-N 377.872 4.580 0 40 GJAB COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 100393769 HLKCYOOWMVLNED-LNTMTEANSA-N 391.511 4.601 0 40 GJAB biogenic,in-vitro CCOCCOCc1cccc(NCc2ncc(-c3cccc(F)c3)o2)c1C 177254997 WVLCWNATOFCUQA-UHFFFAOYSA-N 384.451 4.954 0 40 GJAB C[C@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)[C@H]2CCCC[C@@H]12 195529267 ZMHKAXHAYPOCNU-VDGAXYAQSA-N 396.556 4.719 0 40 GJAB CCOc1ccc2ccccc2c1C(=O)NCC[C@H](CCO)c1ccccc1 206626312 RFCKFAQOBNYFNT-LJQANCHMSA-N 377.484 4.525 0 40 GJAB CCOC(=O)c1cc(Br)c(OCc2ccccc2C)c(OCC)c1 216831562 GPNLWKXBLLWXER-UHFFFAOYSA-N 393.277 4.912 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(OC(C)C)cc1 222967302 ZZQBMLHXFJQCMU-JOCHJYFZSA-N 383.532 4.997 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cc1 222974744 ZPTVBZUUBCMCMQ-VXKWHMMOSA-N 390.556 4.953 0 40 GJAB CC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(OC)c(OC)c1 223142291 FVFDHSMSTPTYCH-LJQANCHMSA-N 385.504 4.782 0 40 GJAB CC(C)NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225326670 BRGTXUMLRPJJGA-UHFFFAOYSA-N 379.287 4.703 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225342201 IDOGLGCFNSOGST-LBPRGKRZSA-N 382.287 4.821 0 40 GJAB CC1(C)COc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2OC1 225361273 RNKQVYPAIULJSK-UHFFFAOYSA-N 379.500 4.579 0 40 GJAB O=C1OC[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)Cc3ccc(F)cc3N12 225486970 JEKNRYHMROGXJN-KRWDZBQOSA-N 394.368 4.576 0 40 GJAB biogenic,in-vitro CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225692997 RNPINJKJDFHXLS-PWHSHALESA-N 390.568 4.577 0 40 GJAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OC)cc1C(=O)OCC 225799922 LWAYOSONKOUMMG-NRFANRHFSA-N 379.497 4.576 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc(C(F)(F)F)c1 225814004 BQTZBFWVELBDPU-KRWDZBQOSA-N 393.405 4.811 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C 408593134 LPBZYYWSJIRRDU-UHFFFAOYSA-N 393.814 4.867 0 40 GJAB Cc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408697542 HNWADJJBHYXIMC-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(C)cc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409351011 VILRGOBYSMPHBN-GUXCAODWSA-N 396.453 4.910 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ncc(C3CC3)o1)CC2 534812291 VYNNPWBAPRWEJC-DEOSSOPVSA-N 390.483 4.717 0 40 GJAB O=C(N1CC2(CCOCC2)c2cc(-c3cccc(F)c3)ccc21)C1(F)CCC1 585105859 VAZNPVOKZYEFBD-UHFFFAOYSA-N 383.438 4.780 0 40 GJAB COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)c2ocnc2C(F)F)c1 626428945 XJHUPOHALVKIAK-PKOBYXMFSA-N 398.409 4.992 0 40 GJAB C[C@@H](c1cccc2ccccc12)N1CCC(c2cc(C3CCNCC3)[nH]n2)CC1 662328756 UWMQOZISSSOWMU-SFHVURJKSA-N 388.559 4.971 0 40 GJAB O=C(O)c1cc2c(s1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 669372386 PTYQCQZUWWRRCH-UHFFFAOYSA-N 391.448 4.711 0 40 GJAB C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=S)N21 625309 MXAMHBCJAQWPLN-BTDLBPIBSA-N 399.878 4.580 0 40 GJAB CC(C)CC(=O)NC(NC(=O)CC(C)C)c1cccc(Oc2ccccc2)c1 1792827 GWCOMYBKYLILPA-UHFFFAOYSA-N 382.504 4.802 0 40 GJAB CCOc1ccc([C@@H](NC(=O)/C=C/c2ccco2)c2ccc(OC)cc2)cc1 2308761 LXGXNDDXJHNRIE-NSFRLNINSA-N 377.440 4.606 0 40 GJAB CC[C@H](C)[C@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O 2426456 SGYQTZNDBKRINT-GUYCJALGSA-N 375.428 4.954 0 40 GJAB O=S(=O)(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc2ccccc2c1 2779538 UEHBQWUBBOBFRQ-UHFFFAOYSA-N 397.887 4.539 0 40 GJAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc2ccccc2c1 3302609 SNBPUGHQVNXOEA-UHFFFAOYSA-N 390.464 4.564 0 40 GJAB Cc1cc(Cl)ccc1OCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 3360031 BUAQXQZYABMGLT-UHFFFAOYSA-N 386.831 4.828 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)cc1 4305517 OTFCQWLEOMBXFY-IBGZPJMESA-N 382.916 4.935 0 40 GJAB CCCC[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)N(CCC)CCC)cc1 4700200 SNOWKJMPAVXTJJ-KRWDZBQOSA-N 382.570 4.652 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C 4790893 UNDPAOWBFRAMGA-CYBMUJFWSA-N 396.541 4.621 0 40 GJAB COc1ccc(Nc2nc(=S)[nH]c3cc(OC)c(OC)cc23)cc1Cl 4919085 JLULHWWXSSHIPP-UHFFFAOYSA-N 377.853 4.715 0 40 GJAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1N1CCCC1=O 5440963 QCMXGTBOFQFJDK-UHFFFAOYSA-N 386.451 4.741 0 40 GJAB COc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2)cc1 5478578 UQOBMYBPWXOKBY-FQEVSTJZSA-N 389.426 4.653 0 40 GJAB COc1ccccc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 5937330 FTMIXCLWIYRACI-UHFFFAOYSA-N 397.478 4.786 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)c3ccc(F)cc3)cc12 6280291 YSCKOZUAVZBPDM-UHFFFAOYSA-N 394.427 4.574 0 40 GJAB COc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)cc1 6532056 YOWQPDRDJUMVDZ-HNNXBMFYSA-N 393.512 4.576 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1OC 10127875 MUDVQFPNTMCDJK-WEVVVXLNSA-N 382.243 4.671 0 40 GJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1Cc1ccc(F)cc1 12538660 TYYWIFXMHQQHPI-FQEVSTJZSA-N 399.469 4.740 0 40 GJAB COc1ccc([C@@H]2CCCN2Cn2nc(C)n(-c3ccccc3)c2=S)cc1 12636278 QOQRTSPBXMGVNH-FQEVSTJZSA-N 380.517 4.515 0 40 GJAB CCn1c(-c2ccc(OC)cc2)nn(CN(C)Cc2sccc2C)c1=S 12852727 SUPKEQXGCKHJLC-UHFFFAOYSA-N 388.562 4.569 0 40 GJAB Cc1ccc(CN(C)Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 12857648 DATXUFPISJYNHO-UHFFFAOYSA-N 375.497 4.592 0 40 GJAB CCc1ccc([C@H](C)NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1 13056895 IYHKWKXYNYXLAP-HNNXBMFYSA-N 385.529 4.614 0 40 GJAB C[C@H](C(=O)Nc1ccccc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 13112876 WFWCYMXIJRHOSZ-HUUCEWRRSA-N 383.492 4.642 0 40 GJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cc(Cl)ccc1Cl 15577481 ZBWYNFAJITWDJP-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB COc1ccc([C@@H](CC(=O)c2ccc3c(c2)OCO3)Nc2ccccc2)cc1 16216402 OSJNMQORUHUULC-HXUWFJFHSA-N 375.424 4.850 0 40 GJAB O=c1[nH]c2ccccc2nc1CSc1nc(-c2ccc(Cl)cc2)cs1 16525027 YBKBUTXGYLIPNJ-UHFFFAOYSA-N 385.901 4.992 0 40 GJAB Cc1noc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)cc(C(F)F)c12 19563876 BZCMGCZASMQISB-MRXNPFEDSA-N 399.441 4.808 0 40 GJAB Cc1nc([C@H]2CCCCN2Cc2ccccc2)ncc1C(=O)Nc1ccccc1 19755839 HGLALIAOWAHXQY-JOCHJYFZSA-N 386.499 4.765 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)ccc1Cl 20111167 QVCBBHRFXWINPF-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCC(C)C 20495628 XTEMLFVTYWEEHK-SFHVURJKSA-N 388.895 4.522 0 40 GJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)Cc1ccc(Cl)cc1 20611114 KHPKOINMZNCQAS-UHFFFAOYSA-N 394.837 4.703 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCCC[C@H]2CCN2CCCCC2)c1 21170614 CUOZTHFOYJWJCH-NRFANRHFSA-N 386.580 4.754 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccccc1F 22526654 KKQFKIIRNYRDIS-KRWDZBQOSA-N 381.900 4.686 0 40 GJAB O=C(Nc1ccccc1N1CCCC1=O)c1cc2c(s1)-c1ccccc1CC2 22748238 HXLWTMASHLWRGM-UHFFFAOYSA-N 388.492 4.893 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1 28574288 IHRLGPJFOPVXLM-UHFFFAOYSA-N 394.233 4.638 0 40 GJAB CCCOc1ccccc1NC(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl 29582200 VJCJQYCEKACMHN-ZHACJKMWSA-N 375.900 4.942 0 40 GJAB COc1ccccc1CNc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1 30446857 KSHOZCXVRDZKEH-UHFFFAOYSA-N 379.485 4.706 0 40 GJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1cc(C)cc(C)c1 31903354 FSVWAOFZGRCIKR-QFIPXVFZSA-N 391.515 4.806 0 40 GJAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2cccnc2)on1 40128742 YDQDXMIALPLPOM-UHFFFAOYSA-N 383.451 4.689 0 40 GJAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccccc1OC(F)(F)F 45615691 YOTRYACASMJLLM-LCYFTJDESA-N 392.402 4.918 0 40 GJAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc2oc(=O)ccc2c1 54251915 FFYPUTJGDZRGTQ-UHFFFAOYSA-N 394.427 4.540 0 40 GJAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 57486680 RHYTULBWUIMOOW-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)n1nc(-c2ccccc2)ccc1=O 62012619 HPKBBRAUOXGAQD-GOSISDBHSA-N 395.462 4.777 0 40 GJAB CC[C@H]1CCCCN1c1cc(SCC(=O)Nc2cccc(C)c2C)ncn1 67255875 GZTXJLVLNDTGED-KRWDZBQOSA-N 384.549 4.593 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2nnc(C(C)(C)C)s2)cc1 71818886 NPPNKHGVWDSTIB-MRXNPFEDSA-N 388.537 4.993 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1SCC(O)=Nc2c1cnn2C(C)C 79484530 YIFLLRAADPWHFI-LJQANCHMSA-N 381.505 4.691 0 40 GJAB CCc1nc(C)c([C@@H](C)N(C)Cc2coc(-c3ccc(C(=O)OC)cc3)n2)s1 96007798 RFLUEKIJEQCZBR-CQSZACIVSA-N 399.516 4.649 0 40 GJAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C(C)C 222839521 AMQHYZPOYHWDMA-LEWJYISDSA-N 376.529 4.562 0 40 GJAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)cc1C 222844097 SHCWMEVYDVFDCZ-FCHUYYIVSA-N 390.556 4.870 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)n1 225291204 PGNGVHDXCDZVDY-UHFFFAOYSA-N 381.907 4.564 0 40 GJAB COc1ccc(CCCNC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 225666670 WEGBCZXRXMKFSX-UHFFFAOYSA-N 385.504 4.507 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)c1 225863248 BBCROQSGVWRNLP-UHFFFAOYSA-N 398.528 4.628 0 40 GJAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Br)cc2F)o1 227144783 DIEYSJDVGZGCGU-UHFFFAOYSA-N 389.224 4.991 0 40 GJAB CCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(C)cc1 408561997 MNKKJZZPELCHTA-FCQUAONHSA-N 380.513 4.857 0 40 GJAB C[C@H](NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12)c1ccccc1 408680482 ZIPOLWCXXQTMRQ-INIZCTEOSA-N 386.426 4.806 0 40 GJAB O=C1N/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1c1cccc(Cl)c1 409070754 GRHPYCNMJDJXBL-GZTJUZNOSA-N 382.778 4.836 0 40 GJAB COC(=O)c1ccc(COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1 409178267 KEDXVDGHKGXQIB-UHFFFAOYSA-N 398.798 4.556 0 40 GJAB COc1ccc(-c2nc(NC(=O)CC[C@@H](O)c3ccccc3)sc2C)cc1 409205524 OODWNWOKKOUAEY-GOSISDBHSA-N 382.485 4.579 0 40 GJAB O=C(CSc1ccc(F)cc1)NC[C@@H](O)c1ccc(-c2cccs2)s1 606440665 NMJKWWKYDMETCA-CQSZACIVSA-N 393.530 4.558 0 40 GJAB Cc1nc(NC(=O)c2cccc(Br)c2)cc(-c2ccc(F)cc2)n1 1525049249 SIRHMOPEQOLMIH-UHFFFAOYSA-N 386.224 4.606 0 40 GJAB CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2ccccc2)c2ccc(F)cc2)c1C 720440 NREJZJJUWXDCBL-UHFFFAOYSA-N 394.446 4.794 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1Br 817496 KQQBWKZDGOSFLN-UHFFFAOYSA-N 399.082 4.863 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ncnc2sc3c(c12)CCCC3 912341 OLLDXGKRGDIOFT-ZDUSSCGKSA-N 395.553 4.640 0 40 GJAB Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccco3)o2)cc1 1024839 FTXAKOXNLKXGIU-UHFFFAOYSA-N 394.452 4.688 0 40 GJAB CCCCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2OC)cc1OC 1799553 KRZXAJUYGZAGHJ-UKTHLTGXSA-N 399.487 4.933 0 40 GJAB CCc1ccc(-n2c(N)c(C(=O)O[C@H](C)CC)c3nc4ccccc4nc32)cc1 2426330 KSIHFTCLYVIVNV-CQSZACIVSA-N 388.471 4.674 0 40 GJAB C[C@@H]1CCc2c(sc3ncn4nc(-c5ccccc5OC(F)F)nc4c23)C1 2790832 SYLSOSPXSKIDAS-SNVBAGLBSA-N 386.427 4.732 0 40 GJAB O=C(CCc1ccccc1)OCC(=O)N1c2ccccc2Sc2ccccc21 3237669 QDRHGSGRFFLHDV-UHFFFAOYSA-N 389.476 4.992 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccs1)c1ccccc1 3249901 CZZCTIALSWUMSO-IBGZPJMESA-N 381.453 4.602 0 40 GJAB COc1ccc(CN2C(=O)/C(=C/c3cccc(C)c3)c3ccccc3C2=O)cc1 3337537 JIYONBFHMVRTAJ-HZHRSRAPSA-N 383.447 4.727 0 40 GJAB O=C(Cc1cccc2ccccc12)OCC(=O)c1cccc(Br)c1 3367939 LTIPWIYEERYFRW-UHFFFAOYSA-N 383.241 4.571 0 40 GJAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 3437242 XYTIVPQVJUDAFG-CQSZACIVSA-N 379.378 4.815 0 40 GJAB COc1ccc(-c2nc(C)c(CCNC(=O)c3cccc(Cl)c3)s2)cc1 4392463 TXDVFRDRDJNRMC-UHFFFAOYSA-N 386.904 4.753 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 5099324 BVKKEKMXPWAHIZ-UHFFFAOYSA-N 394.858 4.707 0 40 GJAB COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)c1 5256080 PWHIOKSHCLYWJQ-HXUWFJFHSA-N 381.863 4.787 0 40 GJAB CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 5274707 OAUFRWZHHBEZHY-GOSISDBHSA-N 399.903 4.504 0 40 GJAB O=c1/c(=C\c2cccc(F)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 5615036 JNWKKCMCEVEVFZ-HMMYKYKNSA-N 398.462 4.777 0 40 GJAB CC(=O)Oc1ccc([C@@]2(c3ccc(F)cc3)OC(=O)c3ccccc32)c(C)c1 6004410 ARWYVQDENBNRMX-HSZRJFAPSA-N 376.383 4.522 0 40 GJAB COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(Br)cc2Cl)c1 6260091 XGCGBXWXXGTKOI-FPYGCLRLSA-N 396.668 4.772 0 40 GJAB CCOCc1c(C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)oc2ccccc12 6386627 BSGMPGZWYWGNJK-MRXNPFEDSA-N 399.487 4.521 0 40 GJAB O=C(O)c1cc2c(cc1C[C@H](Cc1ccc3c(c1)CCCC3)C(=O)O)CCCC2 6513392 YZRMWLUFTMMXJC-QFIPXVFZSA-N 392.495 4.628 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2OC)cc1OCC 6882228 VDRKHHAFVFFINN-ZDUSSCGKSA-N 377.868 4.637 0 40 GJAB NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)cc1 7199045 BCOJHCMQGWUGSG-UHFFFAOYSA-N 386.879 4.504 0 40 GJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2c(s1)-c1ccccc1CC2 7842641 PXOZJXCDNWOMKL-UHFFFAOYSA-N 390.508 4.603 0 40 GJAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccccc1Sc1ccccc1 8327663 XVFZFJMAIWQJLS-QGZVFWFLSA-N 377.513 4.655 0 40 GJAB Cc1ccc(OCc2n[nH]c(SCc3ncc(-c4ccccc4)o3)n2)cc1 8550302 FPRFGYPYVJOXOD-UHFFFAOYSA-N 378.457 4.639 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 9476832 KQMPYNFUFFHAIH-NSHDSACASA-N 381.259 4.697 0 40 GJAB Cc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)o1 9585116 OOGIZEROINMJDA-UHFFFAOYSA-N 385.467 4.772 0 40 GJAB CCN1C[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2ccccc21 11005567 UPXXFAHBDBUBKE-GOSISDBHSA-N 375.472 4.591 0 40 GJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 12137655 KASKXQYMUYUKMZ-OAHLLOKOSA-N 394.858 4.998 0 40 GJAB COc1ccccc1-c1nnc(SCc2ccc(Br)cc2)o1 12177388 ODDAGHXEWQZWJB-UHFFFAOYSA-N 377.263 4.800 0 40 GJAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3c(C)cc(Cl)cc3s2)on1 12422353 NGQXLECBZYKWLG-UHFFFAOYSA-N 387.848 4.995 0 40 GJAB CC(C)[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2ccccc2[nH]1 12529496 IATKAYFOPLWDGT-IBGZPJMESA-N 381.863 4.506 0 40 GJAB Cc1ccccc1CCNC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 12783215 YFCYPWLOLKEHHC-UHFFFAOYSA-N 395.506 4.879 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 12785450 PXWOEPFQTABCKO-KSFYIVLOSA-N 398.503 4.614 0 40 GJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(O)cc1 13563286 CYSQSVAGOLJPOX-KIHHCIJBSA-N 395.458 4.635 0 40 GJAB Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13777553 LTACZDKDYJJZSE-HYBUGGRVSA-N 384.435 4.966 0 40 GJAB CC(C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 16575693 HPYCFRISJRZMOO-UHFFFAOYSA-N 390.418 4.599 0 40 GJAB Cc1cc(Br)ccc1N1C(=O)[C@H]2C[C@H](c3ccccc3)CC[C@H]2C1=O 18244044 FIRSCXKURKFPSN-NXHRZFHOSA-N 398.300 4.831 0 40 GJAB CCc1ccccc1O[C@H](C)C(=O)NCCSCc1cccc(Cl)c1 20034758 SBSMSCXJRHJQQU-OAHLLOKOSA-N 377.937 4.719 0 40 GJAB Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)N1CCCCCC1 20241966 PHMCKYIFEJOZTM-UHFFFAOYSA-N 396.556 4.883 0 40 GJAB CN1CCC[C@H]([N+]2=N[C@@H](Cc3ccc(Cl)cc3)c3ccccc3C2=O)CC1 21984900 NOQDKYGQBYLUST-RXVVDRJESA-N 382.915 4.727 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 22114945 ZNKNILSXMGSLPA-UHFFFAOYSA-N 391.452 4.513 0 40 GJAB CCc1nc2ccc(NS(=O)(=O)c3cc(C(C)C)ccc3OC)cc2s1 22255216 BEOOKZYQJJGQGN-UHFFFAOYSA-N 390.530 4.792 0 40 GJAB O=C(NCCc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 22507698 OQYWUVHMSHQARY-UHFFFAOYSA-N 399.494 4.530 0 40 GJAB CCn1ncc(Br)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 28223912 KWAIKVOSKVLRDG-UHFFFAOYSA-N 386.249 4.710 0 40 GJAB Cc1cc(C)c2oc(C(=O)N(Cc3ccco3)Cc3ccc(C)o3)cc(=O)c2c1 28251444 LYUHZLAZTFOOSG-UHFFFAOYSA-N 391.423 4.747 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccnn1Cc1ccccc1 28291314 LKUIYPBCUWJRIN-KRWDZBQOSA-N 377.488 4.635 0 40 GJAB O=C(NCCSCc1cccs1)c1ccccc1C(=O)c1ccc(F)cc1 32753148 ZXSABGJIWWYECV-UHFFFAOYSA-N 399.512 4.781 0 40 GJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3ccc(F)cc3F)c12 32908559 NFXZHOXJJHZYDB-UHFFFAOYSA-N 393.393 4.749 0 40 GJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)cc1OC 36365326 NABFLFSXWWCOFD-HNNXBMFYSA-N 383.835 4.667 0 40 GJAB Cc1c(C(=O)Nc2ccccc2C(F)(F)F)cnc2c(-c3ccccc3)cnn12 38829575 XIACSIDEZYJQQY-UHFFFAOYSA-N 396.372 4.976 0 40 GJAB CN(C)c1ccc(C[C@@H]([C@H](O)c2ccc(Cl)cc2Cl)n2ccnc2)cc1 40254504 VKFUYXLOJGHRBX-VQTJNVASSA-N 390.314 4.773 0 40 GJAB CCc1ccc([C@H](NCC(=O)Nc2cc(C)ccc2OC)c2cccs2)cc1 57323128 OLWBRVAELFRSRW-QHCPKHFHSA-N 394.540 4.945 0 40 GJAB O=C(Nc1ccccc1-n1cccn1)N(CCc1ccccc1)Cc1ccncc1 65503751 UTIBWGYNLYISLQ-UHFFFAOYSA-N 397.482 4.544 0 40 GJAB CC(C)Oc1ccc(-c2noc(Cc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 67246273 GZRAWXBFVRHPIV-UHFFFAOYSA-N 396.834 4.818 0 40 GJAB Cc1cccc(N(C)C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1 72088678 PAQFLXXKBVHZGL-UHFFFAOYSA-N 385.467 4.807 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72357610 DTTBMFXLSWTVQB-JOCHJYFZSA-N 378.422 4.928 0 40 GJAB Cc1ccc2nc(C)cc(C(=O)N[C@@H](c3ccc(F)cc3)[C@H]3CCCO3)c2c1 89657508 GCQANJQBPGDOKZ-YADHBBJMSA-N 378.447 4.641 0 40 GJAB Cc1nc(C(C)C)c(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)s1 95479769 IDUKYZDZHPPZBX-UHFFFAOYSA-N 377.445 4.686 0 40 GJAB Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C(=O)Nc2cccc(C)c2)cc1 100426184 BUUHBULZYUGKIT-VXKWHMMOSA-N 391.515 4.651 0 40 GJAB O=C1C[C@@H](C(=O)Nc2c(F)cccc2Oc2ccccc2)c2ccccc2N1 107167424 RZMLEHKPUAOWDA-MRXNPFEDSA-N 376.387 4.683 0 40 GJAB CC(C)(Oc1ccc(Br)cc1)C(=O)n1cc(C=O)c2ccccc21 216928810 VGHLFYYXTOBWJU-UHFFFAOYSA-N 386.245 4.714 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 222891275 IVVRWSYHDWBGSL-FQEVSTJZSA-N 385.504 4.519 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccccc1 223562298 BTVTWVWQWCZKQN-OAQYLSRUSA-N 398.572 4.502 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 223746590 PVURRWQCRSTOCE-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB COc1ccc(C(=O)NCc2ccco2)cc1COc1ccc2ccccc2c1 224310700 XFXOHZSGNKMKOR-UHFFFAOYSA-N 387.435 4.950 0 40 GJAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1CSc1ccc(Cl)cc1 224346209 DVYJQSIEUMGPBG-KRWDZBQOSA-N 391.920 4.550 0 40 GJAB COc1cc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c(OC)cc1Cl 224464556 RFKKIXKLRQFTOF-CYBMUJFWSA-N 389.879 4.642 0 40 GJAB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C(=O)OC 225831628 DWFYZTIEODDVSU-ZHRRBRCNSA-N 391.508 4.576 0 40 GJAB O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccc2ccccc2c1 408625844 FVTMSSOCEONPOD-UHFFFAOYSA-N 397.503 4.952 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)c(C)c1 408668974 RNXFMNWDEOXOLA-FQEVSTJZSA-N 385.463 4.929 0 40 GJAB Cn1nccc1[C@H]1CCCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 505852868 BNGAKXDXHWCSJW-CYFREDJKSA-N 398.510 4.705 0 40 GJAB FC(F)(F)Oc1cc(Br)ccc1NC(=S)N1CCCCCC1 575442466 YIZYCPBGUKTINL-UHFFFAOYSA-N 397.260 4.921 0 40 GJAB Cc1cc(Cl)c(NC(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1Cl 646321760 FJLYWSVQASYZBJ-CXAGYDPISA-N 380.275 4.739 0 40 GJAB Cc1ccc(NC(=O)C(=O)NCc2cc(-c3ccsc3)cs2)cc1Cl 1775969984 VYETWQLMBBQKAA-UHFFFAOYSA-N 390.917 4.693 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3cc(F)ccc3O)o2)cc1 906563 NEACYRRAQAEGPU-UHFFFAOYSA-N 386.448 4.854 0 40 GJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(C)c(C)c1 949587 UTWXBEJTSQGMTM-UHFFFAOYSA-N 378.428 4.559 0 40 GJAB O=C1S/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)N1c1cccc(Cl)c1 1013186 ORIZUZYBXDYPNT-WCSRMQSCSA-N 394.235 4.963 0 40 GJAB CC(C)(C)OC(=O)n1cc(I)c2c(Cl)cccc21 2563795 ZBQBNVGPPMFZTI-UHFFFAOYSA-N 377.609 4.683 0 40 GJAB Cc1sc2nc([C@H](C)Sc3nnc(-c4ccccc4)o3)[nH]c(=O)c2c1C 3867232 WQZSMYSDAFZBPN-NSHDSACASA-N 384.486 4.505 0 40 GJAB O=C(COc1ccc(C2CCCCC2)cc1)NCCOc1ccc(Cl)cc1 4580298 YBZDDOZDKNDPIV-UHFFFAOYSA-N 387.907 4.962 0 40 GJAB COc1ccc(-c2cn3c(CC(=O)Nc4ccc(Cl)cc4)csc3n2)cc1 5146877 UASIGYCEBSSIDD-UHFFFAOYSA-N 397.887 4.906 0 40 GJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccccc2OC)cc1 5256214 PFEXWNWRKVVAMP-QFIPXVFZSA-N 391.471 4.533 0 40 GJAB O=c1cc(CSc2nc3ccccc3s2)nc2sc3ccccc3n12 5559568 LHNWYXCYNCTVAI-UHFFFAOYSA-N 381.507 4.811 0 40 GJAB Cc1nc2ccccc2n1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 5728736 BXDSMTVDWFKZLX-UHFFFAOYSA-N 375.664 4.542 0 40 GJAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1Cl 6461096 MQJUMIOXXCLFDW-UHFFFAOYSA-N 380.831 4.610 0 40 GJAB NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCC2 6652836 WSNUOQRRKYVVSB-UHFFFAOYSA-N 386.860 4.501 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nonc1-c1ccc(F)cc1 6670206 NAIYDRZVKDXCLE-SECBINFHSA-N 396.205 4.589 0 40 GJAB CC(=O)c1cccc(NC(=O)c2sc3cc4c(cc3c2Cl)OCCO4)c1 7786950 MOIKDIGBMULAPX-UHFFFAOYSA-N 387.844 4.781 0 40 GJAB Clc1ccc(OCc2nnc(SCc3cc(-c4ccccc4)on3)[nH]2)cc1 8723972 SBGFUQHYFWDBDK-UHFFFAOYSA-N 398.875 4.984 0 40 GJAB COc1cc(NC(=O)c2oc3ccc(Cl)cc3c2C)cc(OC)c1OC 9512380 PYTAPLIQYWVQTE-UHFFFAOYSA-N 375.808 4.673 0 40 GJAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@@H](C)c3cccnc3)cc12 10056929 TUIYEUUXPGPFID-LBPRGKRZSA-N 396.903 4.935 0 40 GJAB COc1ccc(Cl)cc1-c1nnc2sc(-c3ccc(Cl)cc3)nn12 12321077 SGADHIUQYFMCHA-UHFFFAOYSA-N 377.256 4.835 0 40 GJAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 13000690 FZOOJTZNOLTXJT-OAHLLOKOSA-N 382.529 4.810 0 40 GJAB Cc1csc2nc(COc3ccc(C(C)(C)c4ccccc4)cc3)cc(=O)n12 13367475 NOONKTRODMGCKS-UHFFFAOYSA-N 390.508 4.969 0 40 GJAB c1coc(CNc2nc3sc4c(c3c3nc(-c5ccco5)nn23)CCCC4)c1 13734624 WGQYJHRYFYXTIL-UHFFFAOYSA-N 391.456 4.683 0 40 GJAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 14228013 MUKXQCLTURNFMX-OAHLLOKOSA-N 394.858 4.889 0 40 GJAB CCOc1cc(C(=O)Nc2ncc(C)s2)ccc1OCCOc1ccccc1 14661816 YMIVOJBGPVPPRN-UHFFFAOYSA-N 398.484 4.560 0 40 GJAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(C(F)(F)F)cc1 15081917 HATYAPQYUMSDJE-UHFFFAOYSA-N 395.768 4.980 0 40 GJAB Cc1cc(Br)c(NC(=O)Cn2c(C)c(C=O)c3ccccc32)cc1C 17081646 JBBHESNYEWPQDN-UHFFFAOYSA-N 399.288 4.780 0 40 GJAB CC(=O)C1(c2ccccc2)CCN(Cc2c(C(C)C)[nH]c3ncccc23)CC1 19451508 VYAPHNJUQBAEMG-UHFFFAOYSA-N 375.516 4.809 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c(Cl)c1 20492892 WKTONJUVLMGLMX-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB CC(C)c1n[nH]c(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 20971191 PQVMINKBLMKYKS-UHFFFAOYSA-N 382.514 4.850 0 40 GJAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(Br)ccc1Cl 25047759 PWYZMUFISROIEY-ZYHUDNBSSA-N 384.623 4.953 0 40 GJAB COc1ccccc1CN[C@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1 26439950 BCVSTRYZAONCLL-RPBOFIJWSA-N 386.539 4.843 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)C1(Cc2nc3ccccc3s2)CCCC1 32726834 VYYVVKPZHFWHIC-UHFFFAOYSA-N 380.469 4.767 0 40 GJAB COc1ccc(OC)c(Nc2c(-c3cccc(O)c3)nc3cccc(C)n23)c1 35616503 RVKKDGJSRFSKEL-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB CCn1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)c3c(C)noc3n2)n1 36617987 XDHNJBVHOJJWOJ-UHFFFAOYSA-N 395.850 4.629 0 40 GJAB CCCOc1ccccc1NC(=O)Cc1c(C)nn(-c2ccc(F)cc2F)c1C 40129848 NRLUHNDOGOYWMR-UHFFFAOYSA-N 399.441 4.737 0 40 GJAB COCc1c(C(=O)Nc2ccccc2NCC(F)(F)F)oc2ccccc12 58202924 GHCAFXKUJXBAPS-UHFFFAOYSA-N 378.350 4.806 0 40 GJAB O=C(c1c(-n2cccc2)sc2c1CCCC2)N1CCC[C@@H](C(F)(F)F)C1 71927883 BSGYSKQYSSKSHK-CYBMUJFWSA-N 382.451 4.832 0 40 GJAB CC(C)c1nccn1-c1cncc([C@H]2CCCN2CCCc2ccccc2)n1 72378681 DPKIEXXQRFZKAB-OAQYLSRUSA-N 375.520 4.555 0 40 GJAB Cc1cc(C)nc(SCc2ccc(C(=O)NCc3ccccc3Cl)o2)n1 79480098 JNSUFWNXOJVFBU-UHFFFAOYSA-N 387.892 4.562 0 40 GJAB Cc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 84022929 NZUHAVWCSDARRI-TXEJJXNPSA-N 389.883 4.600 0 40 GJAB O=C1c2ccccc2[C@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1CCO 85430305 GJZVBMZJJALYHW-HSZRJFAPSA-N 386.426 4.512 0 40 GJAB FC(F)(F)c1c(Br)cccc1N1CCN(Cc2ccccc2)CC1 95080913 JEWGSGPOXCLXLG-UHFFFAOYSA-N 399.254 4.790 0 40 GJAB O=C(Cc1cnc2ccccc2c1)NCCc1nc(C2CCCCC2)cs1 95946384 HUQLBQNSSCKCDX-UHFFFAOYSA-N 379.529 4.640 0 40 GJAB O=C(c1cc2ccccc2o1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119066 BGBJGOMFSIAQHM-AWEZNQCLSA-N 379.441 4.564 0 40 GJAB O=C1C[C@@H](c2ccccc2)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc23)O1 96222242 VMJMPYWSESIQDM-SFHVURJKSA-N 384.387 4.607 0 40 GJAB biogenic COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCn1ccc2ccccc21 96223227 MYNHMDSNHJZOEG-OAQYLSRUSA-N 387.483 4.715 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C)CC2)on1 100743844 VTPIZYCPPZFJPB-NRSFXHEJSA-N 396.535 4.609 0 40 GJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@@H](c4cccs4)C3=C(O)C2)cc1 102751891 JHSVPQOMIMATBU-SGTLLEGYSA-N 394.456 4.769 0 40 GJAB CCCCCCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 104303527 DJDQVIVKUNIWPQ-UFSBNGCYSA-N 376.500 4.710 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(Cl)cc2F)c1 222900064 NFRBIGLPGPNRIU-UHFFFAOYSA-N 395.883 4.836 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)COc1ccccc1C 223030897 UAZVXFFGCZZRHQ-APWZRJJASA-N 375.896 4.698 0 40 GJAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C 223092483 KBRLQTMFTRQBIA-RTWAWAEBSA-N 382.577 4.825 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCCOc2cccc3ccccc23)cc1 223571108 JPGLYZRPVHRCHP-JOCHJYFZSA-N 377.484 4.755 0 40 GJAB Cc1ccc(CCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C 223717375 FBJLLQYUUCTASW-UHFFFAOYSA-N 383.879 4.598 0 40 GJAB Cc1ccccc1OC[C@@H](C)NC(=O)CSCc1ccc(Cl)cc1F 223977742 CHKKKVRCPYQNMI-CQSZACIVSA-N 381.900 4.604 0 40 GJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3C)cc2)c1 225055313 OFXAIDCOAXLSFB-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225519874 GURNEOPYBNRHLS-UHFFFAOYSA-N 398.522 4.997 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225674045 OBXDULHZRDCOEG-GOSISDBHSA-N 398.528 4.679 0 40 GJAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2c(C)cc(C)cc2C)cc1 409098578 OHXFUSOUGIUHJQ-UHFFFAOYSA-N 394.544 4.794 0 40 GJAB COc1ccc(Nc2nc(C(=O)N3CCc4cccc(F)c4[C@H]3C)cs2)cc1 530583625 RFWFJWKDNVOSSC-CYBMUJFWSA-N 397.475 4.794 0 40 GJAB Cc1nnc([C@H]2CCCN(C(=O)NCCc3ccc(C4CCCCC4)cc3)C2)o1 665574174 IEPMLHQYLMUOPN-NRFANRHFSA-N 396.535 4.557 0 40 GJAB CC(C)c1c(NC(=O)N[C@H]2[C@@H]3c4ccc(F)cc4C[C@H]32)cnn1-c1ccccc1 666882382 CQHRCANJEYVIDC-HMXCVIKNSA-N 390.462 4.595 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)c2c(F)cccc2F)CN1c1ccc(F)cc1 1615119005 GUVMYEGNDIDNQR-QFIPXVFZSA-N 388.433 4.768 0 40 GJAB CC(=O)c1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)c1 691622 VTAZOZJNFQVSSX-UHFFFAOYSA-N 393.512 4.992 0 40 GJAB O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(Cl)cc1Cl 825359 ICRIREKSWKGQNX-UHFFFAOYSA-N 375.207 4.808 0 40 GJAB O=C(Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1)c1ccco1 1105764 QARVHQHYIZLCED-UHFFFAOYSA-N 389.388 4.882 0 40 GJAB biogenic CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1OC 1934604 HIJUAXJXGRPQSL-VZUCSPMQSA-N 390.277 4.898 0 40 GJAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1C 3293996 DFWSCGROHNXAKN-GFCCVEGCSA-N 398.286 4.659 0 40 GJAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(Cl)c3oc(=O)sc3c2)c1C 3653707 JGIBAAIAZQDYQG-UHFFFAOYSA-N 397.905 4.542 0 40 GJAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(Cl)cn1 4434186 DDXOLOYZWFJQFD-UHFFFAOYSA-N 379.869 4.728 0 40 GJAB CCCCN1C(=O)[C@@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)c2ccccc21 4554922 FNFQSVKWPIVBQH-XMMPIXPASA-N 379.500 4.528 0 40 GJAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 4816520 PLRMZPUORWIHTI-XZOQPEGZSA-N 394.478 4.968 0 40 GJAB COc1cc(CNCc2ccco2)ccc1OCc1c(F)cccc1Cl 4942819 USNLJDLTOZIKMT-UHFFFAOYSA-N 375.827 4.950 0 40 GJAB CCOC(=O)c1c(NC(=O)/C=C/C2=Cc3ccccc3OC2)sc(C)c1C 5034444 GKXQRXBPPRZLQE-MDZDMXLPSA-N 383.469 4.512 0 40 GJAB Cc1ccc2nc(COc3ccc(Cl)cc3Cc3ccccc3)cc(=O)n2c1 6085288 MPWSASIFZIBBKS-UHFFFAOYSA-N 390.870 4.826 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 6657368 HQDMYVSIJLBGDH-OQLLNIDSSA-N 392.820 4.955 0 40 GJAB COc1ccc(N/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc1 6812661 RTRUFCWFUBJYRG-RCCKNPSSSA-N 384.435 4.644 0 40 GJAB CCc1ccc(-c2noc(CSc3nnc(C)n3-c3ccccc3C)n2)cc1 6980760 JAPSAFDSKRKJEK-UHFFFAOYSA-N 391.500 4.789 0 40 GJAB O=C(CCSc1nc2ccccc2s1)Nc1cccc(N2CCCC2=O)c1 7491930 QMNQRARMTXRLOC-UHFFFAOYSA-N 397.525 4.544 0 40 GJAB Cc1ccccc1-c1noc(COc2ccccc2C(=O)Nc2ccccc2)n1 7896172 SIIXWYHGRBFZKW-UHFFFAOYSA-N 385.423 4.876 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 8041227 DCMHAPISECXTLH-INIZCTEOSA-N 382.243 4.576 0 40 GJAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2nc3ccccc3o2)c1 8330342 LMLCDWLEEKNSQR-UHFFFAOYSA-N 386.407 4.746 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1 9052949 WWHYTQWCFZNXIF-MRXNPFEDSA-N 380.513 4.553 0 40 GJAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)C3CCCCC3)cc2)n1 9573382 CCZGSVRWLNHNFG-UHFFFAOYSA-N 381.524 4.894 0 40 GJAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(OC[C@@H]2CCCO2)cc1 9582770 RPFKGAIRMKXCEH-LEWJYISDSA-N 385.891 4.779 0 40 GJAB Cc1nc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)cc(OC(C)C)n1 11613264 NXNYEXQGWNEPQF-UHFFFAOYSA-N 380.423 4.707 0 40 GJAB Cc1nc(Nc2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc(OC(C)C)n1 11613266 YLHPEKNEUILPND-NTEUORMPSA-N 388.471 4.968 0 40 GJAB CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCCC3)cc2C)cc1 11765521 MQVIWVMDBCOFKW-UHFFFAOYSA-N 394.515 4.986 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n23)c1 11907886 KYMVTGNEMHRKJL-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB CC(C)c1ccc(-c2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)cc1 12391366 YXSKSYONMPXZGU-UHFFFAOYSA-N 378.501 4.981 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 12523353 VYASQYXVAVAZKE-UHFFFAOYSA-N 382.423 4.508 0 40 GJAB CC[C@H](C)CCCNc1nnc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 12615416 GYPJYMHDVRVNNV-XUWVNRHRSA-N 398.642 4.809 0 40 GJAB CC(=O)c1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)s1 12627489 UCCAVSRSWLIKPQ-UHFFFAOYSA-N 385.445 4.718 0 40 GJAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 12804484 MDXXWYQLNNJISK-UHFFFAOYSA-N 375.259 4.843 0 40 GJAB Cc1ccnc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)c1 13284590 VIHDQMBHVVQRIH-KGENOOAVSA-N 383.451 4.647 0 40 GJAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 13783385 RQZAXGRLVPAYTJ-UVGIATQHSA-N 384.516 4.575 0 40 GJAB C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(-n2ccnc2)cc1 18047666 RWJZZVHOMMDKSD-MRXNPFEDSA-N 384.483 4.723 0 40 GJAB CCCn1nc(C)c(-c2cncn2C[C@H](c2ccccc2Cl)N(C)C)c1C 19654608 RORLANLXELQPMY-HXUWFJFHSA-N 385.943 4.730 0 40 GJAB COCc1ccccc1CNC(=O)/C(=C/c1cccc(OC)c1)c1ccccc1 25795417 LGIZYYPQCITXSL-LFVJCYFKSA-N 387.479 4.699 0 40 GJAB Brc1ccccc1-c1nnc(CN(Cc2cccs2)C2CC2)o1 27108393 SIWGQMKONMLOTH-UHFFFAOYSA-N 390.306 4.725 0 40 GJAB Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)cc1 28527915 PWLIFOOTQLRIIL-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB O=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)NCc1ccccc1 28539454 DLSHQHXNNKVNGV-UHFFFAOYSA-N 375.859 4.673 0 40 GJAB Cc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4)c3)no2)cc1 33327243 IAHWQLXGZQQUCJ-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 35314084 LHOSVBCMFGVLQV-KRWDZBQOSA-N 391.446 4.862 0 40 GJAB CCNc1nc2c(s1)[C@@H](c1ccc(OCc3cccc(F)c3)cc1)CC(=O)N2 35324885 HXJRSQNPLRKMKU-QGZVFWFLSA-N 397.475 4.767 0 40 GJAB CC(=O)Nc1ccc(-c2ccsc2)cc1NC(=O)COc1ccc(F)cc1 38678892 XGYGCENTGLYRSI-UHFFFAOYSA-N 384.432 4.530 0 40 GJAB CCOc1ccc2nc(S[C@H](C(=O)NC3CCCC3)c3ccccc3)[nH]c2c1 39383541 YVFVKQTUZCYZAI-FQEVSTJZSA-N 395.528 4.854 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)NCc1coc(-c2cccs2)n1 40024944 VZORIFKTMUXLLZ-UHFFFAOYSA-N 381.910 4.850 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(Cc3ccco3)C3CC3)c12 40132813 JWWRKSIRMYUGNX-UHFFFAOYSA-N 392.503 4.770 0 40 GJAB Cc1ccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)nc1 40143855 BJDAWVRQZSLUSE-UHFFFAOYSA-N 384.233 4.592 0 40 GJAB CSc1cccc(NC(=O)Cn2ccc3ccc(Br)cc32)c1 40286667 IBEFLBLQXITPKW-UHFFFAOYSA-N 375.291 4.764 0 40 GJAB Cc1n[nH]c(C(=O)Nc2cccc(C3SCCCS3)c2)c1Br 53122602 HMVYWTAWWCIKEZ-UHFFFAOYSA-N 398.351 4.602 0 40 GJAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC(C)CC4)cc3)cc12 57712759 KVXPFZCUJVPQJW-UHFFFAOYSA-N 375.516 4.993 0 40 GJAB CC(C)c1nnc(NC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)s1 69949187 LHWDBJLYBHDTGO-OLZOCXBDSA-N 384.530 4.960 0 40 GJAB O=C(CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)Nc1ccccc1F 72092936 AMOOTJWXORQICT-GOSISDBHSA-N 397.277 4.535 0 40 GJAB COc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1Br 72229477 HUNRBJWYHCWLQA-UHFFFAOYSA-N 390.064 4.599 0 40 GJAB O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(N2CCCCC2)cc1 72309225 CEAFRWHQIIBVEA-NRFANRHFSA-N 394.515 4.877 0 40 GJAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)COc3ccccc3)n2)cc1 72357775 DQIFMCOAHIQDCB-XMMPIXPASA-N 386.495 4.723 0 40 GJAB O=C1N=C(Nc2ccc(Cl)cc2)/C(=C/c2cc3ccccc3[nH]c2=O)S1 72401780 SEFJLASEDNUYJL-YBEGLDIGSA-N 381.844 4.900 0 40 GJAB CC(C)c1cc(C(=O)Nc2ccccc2-c2nncn2C(C)C)nn1C(C)(C)C 79055321 KXSZHSCDPLOYQL-UHFFFAOYSA-N 394.523 4.853 0 40 GJAB COCc1nc(NCc2csc(C)n2)c2c(-c3ccccc3)csc2n1 84274818 CVZIEIPRFSEZEV-UHFFFAOYSA-N 382.514 4.882 0 40 GJAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccco1 102362722 QXRGOEYOJSGCPT-YHUYYLMFSA-N 396.516 4.838 0 40 GJAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 104681430 NJHPQNYJQKUIGL-IEIRFRATSA-N 376.544 4.858 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219326011 YTTUSCPNRGOCAT-SFHVURJKSA-N 399.878 4.514 0 40 GJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2cc(C)ccc2C)cc1C(C)C 223374945 FRODGIIJAXYSTB-QGZVFWFLSA-N 375.534 4.783 0 40 GJAB CN(Cc1cccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl 223732057 GICBPVRMAMNVPM-UHFFFAOYSA-N 380.296 4.967 0 40 GJAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223932808 MZLCGKPRKHHZHZ-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)s1 224554322 SZYFWXBCTWZUIN-MOPGFXCFSA-N 381.526 4.637 0 40 GJAB CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 224693167 VMTQZJPQZDWSAW-UHFFFAOYSA-N 388.714 4.626 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 225035261 RJRUBSPTRUTSPN-NHCUHLMSSA-N 394.559 4.568 0 40 GJAB CC[C@H](NC(=S)Nc1cc(C(=O)OC)ccc1Cl)c1ccc(C)cc1 225484405 NCDCWDHVUNVGBW-INIZCTEOSA-N 376.909 4.873 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(C)c3)n2)cc1 408694578 KLZCURFPIWFDHR-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)s1 409317617 QQOOWGQHEFQCPE-OVCLIPMQSA-N 377.874 4.629 0 40 GJAB Cc1cc(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)n(-c2ccccc2F)n1 555014397 PHDYMBOTMXVELP-UHFFFAOYSA-N 399.294 4.869 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@H](c2ccsc2)c2cccs2)cc1OC 575414654 HVSMENMOIRDPET-CPSHHHPTSA-N 385.510 4.746 0 40 GJAB CC(C)c1ccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1 876010 DAANHCKEJBAEPZ-UHFFFAOYSA-N 386.448 4.886 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)C1CCCCC1 907990 LWEVQISVXRKKOT-UHFFFAOYSA-N 379.431 4.907 0 40 GJAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)c1C 1069623 JMZOFBDZNVZZHJ-UHFFFAOYSA-N 378.497 4.767 0 40 GJAB Cc1ccc(C(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 1346664 NDSQLWSBYCVXCW-UHFFFAOYSA-N 394.887 4.752 0 40 GJAB COc1cccc([C@@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)N3CCCN23)c1 1424831 FYJVZWIAVLQWRZ-KRWDZBQOSA-N 378.259 4.564 0 40 GJAB Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccccc1Cl)CC(=O)N2 1509727 NFTJNEYIGOJVBU-QFIPXVFZSA-N 390.870 4.832 0 40 GJAB CN1c2ccccc2S[C@]12C(=O)N(c1ccccc1)C(=O)N2c1ccccc1 1566348 LLZPZOAWIKFTNX-JOCHJYFZSA-N 387.464 4.556 0 40 GJAB CCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3cccc(C)c3nc21 2604032 INFCTMPHICMVJK-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2nnc(Nc3ccc(C)cc3)s2)cc1 3471596 KPRSUNFVNQOYTD-UHFFFAOYSA-N 398.513 4.524 0 40 GJAB CCOc1ccc(C(=O)N(C)c2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 4078442 GSZMKMFWOSTAGO-UHFFFAOYSA-N 397.544 4.681 0 40 GJAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2F)n2c(nc3ccccc32)N1 4735579 CUXUJEXWGZBFBU-FQEVSTJZSA-N 379.435 4.808 0 40 GJAB COc1ccc([C@@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4857440 IYTXMKHNQQHTTJ-UPVQGACJSA-N 386.451 4.946 0 40 GJAB CCOC(=O)[C@@H](C)Oc1c(-c2ccc(C)cc2)oc2cc(C)c(C)cc2c1=O 5557078 MBLHCRBGBMCZRT-MRXNPFEDSA-N 380.440 4.716 0 40 GJAB CCOc1ccc(Cc2n[nH]c(=S)n2-c2ccc(C)cc2C)cc1OCC 6418644 NGFVHEJXZRHODS-UHFFFAOYSA-N 383.517 4.935 0 40 GJAB COc1cc(NC(=O)CCC(=O)c2cc(C)ccc2C)c(OC)cc1Cl 6510814 CGJASBHTFUIDLT-UHFFFAOYSA-N 375.852 4.576 0 40 GJAB S=C(c1ccc(OCc2ccccc2Cl)c(Cl)c1)N1CCOCC1 6884569 NBDXAEOPQQJMEW-UHFFFAOYSA-N 382.312 4.580 0 40 GJAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cc2ccccc2o1 7116489 CZWAOMPAKZLLRB-WMZOPIPTSA-N 391.471 4.554 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2c[nH]c3ccccc23)cs1 7509515 KQBCXMYDDYFXLV-UHFFFAOYSA-N 391.452 4.666 0 40 GJAB O=C(c1ccc(F)cc1Cl)N(C[C@H]1CCCO1)c1nc2ccccc2s1 7718310 SEUWLOAUWCGMMG-CYBMUJFWSA-N 390.867 4.915 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nccn2-c2ccc(C)cc2C)c1 8424658 FTFWFGQSUJWDTP-KRWDZBQOSA-N 393.512 4.811 0 40 GJAB CCc1ccc2c(CSc3nc(-c4ccccc4F)n[nH]3)cc(=O)oc2c1 8484381 RKECHVNYLPKNPB-UHFFFAOYSA-N 381.432 4.572 0 40 GJAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 8673383 CXFJGKOXAWBBHM-NRFANRHFSA-N 386.923 4.696 0 40 GJAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1 8959056 PIGNCRYIINFTTP-UHFFFAOYSA-N 394.515 4.963 0 40 GJAB Cc1c(C)n(C2CCCCCC2)c2ncn3nc(-c4ccccc4O)nc3c12 9304617 BPHVTCBSYVZDEN-UHFFFAOYSA-N 375.476 4.964 0 40 GJAB Clc1ccc(OCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 9476597 ACAACRWSGOTHAH-UHFFFAOYSA-N 381.848 4.567 0 40 GJAB Cc1noc(C)c1COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 9594080 GJRVZIZTWHEYJE-JOCHJYFZSA-N 389.455 4.599 0 40 GJAB CCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(C)c3)n2)cc1 9625533 JDNOVYLATJZMAN-UHFFFAOYSA-N 394.500 4.839 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2C)cc1 10314613 NWEUGMBJOHONLG-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(COc2ccccc2)o1 10540484 QGXDDHAVQUPOKO-UHFFFAOYSA-N 387.439 4.913 0 40 GJAB Fc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 11023683 PUAQQVKSCBQETH-UHFFFAOYSA-N 380.423 4.900 0 40 GJAB Cc1cc(NC(=O)CSc2cc(C)c3ccccc3n2)n(-c2ccccc2)n1 12550197 GUBBOKDDPFVZKS-UHFFFAOYSA-N 388.496 4.768 0 40 GJAB COc1ccc(-c2noc(CN3CCCCC[C@@H]3c3ccc(OC)cc3)n2)cc1 12567907 ILPLSZXXZPMYJX-OAQYLSRUSA-N 393.487 4.871 0 40 GJAB COc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3cc(C)ccc3C)c(=O)oc2c1 12929148 QSLRPANJGNBGJN-KRWDZBQOSA-N 393.483 4.537 0 40 GJAB O=C(NCCOc1ccc2ccccc2c1)c1cc(Br)ccc1F 12929770 SOWHAEBOGJGQNI-UHFFFAOYSA-N 388.236 4.550 0 40 GJAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(s1)CC[C@H](CC)C2 12979075 IORJZLNFYKWCIU-HNNXBMFYSA-N 384.545 4.536 0 40 GJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 12982204 SSGJFHLYPPBOOR-CRAIPNDOSA-N 392.952 4.757 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)Cc3ccc(Cl)cc3Cl)o2)cs1 14228930 SQCJPJGJMOIQKN-UHFFFAOYSA-N 381.284 4.877 0 40 GJAB Cc1cc(C)nc(Sc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)n1 14710054 ZPKCZKAIYQFCTP-UHFFFAOYSA-N 388.496 4.907 0 40 GJAB CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 16690030 KBAIUAJMRMHVQW-WBMJQRKESA-N 390.940 4.534 0 40 GJAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1nc(-c2ccccc2)cs1 16705283 PFGFEIHRBBEOJB-UHFFFAOYSA-N 390.468 4.822 0 40 GJAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 16780744 MZBVIHQENTZHAL-NOZJJQNGSA-N 389.361 4.581 0 40 GJAB COc1cccc(Cc2ccc(C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)nc2)c1 19687377 MPOSIPQTKCVMKI-QFIPXVFZSA-N 390.527 4.577 0 40 GJAB c1nc(N2CCCC2)c2sc3nc(N4CCCCC4)c4c(c3c2n1)CCCC4 20029511 LKPYBHGQNSSYGZ-UHFFFAOYSA-N 393.560 4.709 0 40 GJAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccc(F)c(Cl)c1 22072754 LHDMXTRGPMQRTF-UHFFFAOYSA-N 385.826 4.747 0 40 GJAB O=C(Cc1csc(-c2ccco2)n1)N1CC=C(c2c[nH]c3ccccc23)CC1 26690544 JUZXFCRZIMRIHQ-UHFFFAOYSA-N 389.480 4.743 0 40 GJAB Cc1c(-c2cccc(NC(=O)c3c(F)cccc3Cl)c2)nc2ncccn12 27515278 FBCGDBMHZDLQPY-UHFFFAOYSA-N 380.810 4.750 0 40 GJAB Cc1noc2ncc(C(=O)Nc3ccccc3CN(C)C3CCCCC3)cc12 32905874 ORXCETWYLYLFCA-UHFFFAOYSA-N 378.476 4.548 0 40 GJAB O=C(Nc1nc(SCc2ccc(F)cc2)ns1)Nc1ccccc1F 35314232 NJOVODBHTFGFTF-UHFFFAOYSA-N 378.429 4.753 0 40 GJAB CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)Nc2ccc3cc[nH]c3c2)s1 36354507 JKSUJRQWIGKBCK-UHFFFAOYSA-N 384.505 4.584 0 40 GJAB CCC(=O)Nc1cc(NC(=O)c2ccc(Br)cc2)ccc1Cl 36359210 ZDLXWGITEHJGAW-UHFFFAOYSA-N 381.657 4.703 0 40 GJAB COC(=O)c1cc(-c2ccc(Cl)cc2)nc2cc(-c3ccc(F)cc3)nn12 36615741 RNXIJODQEJLJNY-UHFFFAOYSA-N 381.794 4.642 0 40 GJAB Cc1nn2c(ncc3c(=O)n(C4CCCCC4)ccc32)c1-c1ccc(F)cc1 40396932 AGJHXKXCIKXMRS-UHFFFAOYSA-N 376.435 4.664 0 40 GJAB O=C(N[C@@H]1CCCCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 41701956 XHSIQBBMUSBJOO-PZJWPPBQSA-N 379.456 4.559 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1Cl 44884865 XLGCNMBHEVEVHJ-CYBMUJFWSA-N 377.893 4.777 0 40 GJAB Cc1ccc2c(Nc3ccc(Cl)cc3C)c(C(=O)N3CCCC3)cnc2n1 49004643 VZSWYUYWZUCGNB-UHFFFAOYSA-N 380.879 4.880 0 40 GJAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 54137002 OVXKGWFBPHAGID-UHFFFAOYSA-N 375.350 4.933 0 40 GJAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 55186425 BXGVUTFRWCKCCR-UHFFFAOYSA-N 380.271 4.689 0 40 GJAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc2nsnc2c1 57313693 PDTRSIHFCUJMFA-UHFFFAOYSA-N 381.269 4.860 0 40 GJAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC 59351843 HHWVCMLWGAZKOK-LZGFCCKTSA-N 380.271 4.901 0 40 GJAB COCCOc1c(Cl)cccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 62580234 WKNVUXBDCGVIJN-UHFFFAOYSA-N 379.243 4.752 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c(Cl)c1 64334397 GVLFOKPQDMUYKJ-JTQLQIEISA-N 378.910 4.831 0 40 GJAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1 67295460 NLLJYDBFZGSCOK-FLFQWRMESA-N 378.815 4.842 0 40 GJAB COc1ccc(Cl)cc1NC(=S)Nc1cccc(CN2CCCC2)c1 71761624 YEMZEWYJMKJBQR-UHFFFAOYSA-N 375.925 4.753 0 40 GJAB C[C@H](CCc1ccco1)Nc1ncc(-c2cnccn2)c(-c2cccs2)n1 72338755 DLYSQWWZXPJWPR-CQSZACIVSA-N 377.473 4.688 0 40 GJAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NNc1ccccc1C(F)(F)F 84501747 YQXQDWLNADBHJX-VMPITWQZSA-N 394.780 4.834 0 40 GJAB Cc1ccc(NC(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1C 96997245 NRSCARCITOQFNS-LJQANCHMSA-N 396.537 4.539 0 40 GJAB Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCCCC3)c2c1 101552611 HSJNROKWPRXGSS-UHFFFAOYSA-N 380.513 4.756 0 40 GJAB C[C@]12CN(Cc3ccccc3)C[C@@](C)(CN(C(=O)c3c[nH]c4ccccc34)C1)C2 101620324 XFBIEFQOOVNSQE-DQEYMECFSA-N 387.527 4.542 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1 222881767 BSUXWBIDCQAZTI-KKSFZXQISA-N 382.504 4.573 0 40 GJAB COc1cccc(NC(=O)c2ccc(OC)c(COc3ccccc3OC)c2)c1 224242667 MJJMMFCOUYGVCD-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1 224902938 DYEFLQZAYWTXRW-AWEZNQCLSA-N 399.362 4.960 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)N[C@H](C)CC 225694740 JBTHBPKAGOEDIM-CXAGYDPISA-N 387.351 4.815 0 40 GJAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)cc1C(=O)OCC 225838907 VNDKSPUCWISPQC-NRFANRHFSA-N 379.497 4.576 0 40 GJAB CCCSc1cc(OC)c(CCNCc2ccccc2OC)cc1OC 299817104 CPVMNHOHOSNFOP-UHFFFAOYSA-N 375.534 4.547 0 40 GJAB in-vitro COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 408816222 RFVOUTFDPYNCBB-UHFFFAOYSA-N 397.520 4.801 0 40 GJAB CC1=C(C(N)=O)[C@@H](c2ccccc2)N2C(c3ccc(Cl)cc3)=CSC2=N1 408989696 LKCCWZMOIRQYDM-GOSISDBHSA-N 381.888 4.557 0 40 GJAB CCOc1ccc(-n2c(C)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 409095965 BZSGOSXOWMKTQX-UHFFFAOYSA-N 387.892 4.603 0 40 GJAB C[C@]1(c2ccc(F)cc2)NC(=O)N(c2ccc(Oc3cccc(F)c3)cc2)C1=O 1615613399 UTYDNNXUOVNDGP-JOCHJYFZSA-N 394.377 4.729 0 40 GJAB CC(C)[C@H]1CCCN1S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 1660480858 VDKIWARTQCMERR-GOSISDBHSA-N 379.909 4.941 0 40 GJAB CC(C)N(C(=O)CSc1nc2ccccc2n1Cc1ccccc1F)C(C)C 1381408 GOEJHGNPVFMSKZ-UHFFFAOYSA-N 399.535 4.961 0 40 GJAB CCc1cccc(C)c1N(C(=O)Cn1c(CC)nc2ccccc21)[C@H](C)COC 1470647 JQMYKPLIETUFDS-GOSISDBHSA-N 393.531 4.538 0 40 GJAB CCOP(=O)(Cc1ccc(CP(=O)(OCC)OCC)n1C)OCC 1618144 XRLHYAYXGOHCBR-UHFFFAOYSA-N 381.346 4.557 0 40 GJAB COc1ccc(CNCC[C@H](c2ccco2)c2ccccc2OC)cc1OC 2099242 MTIYDNHALWUKGS-IBGZPJMESA-N 381.472 4.617 0 40 GJAB biogenic CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3nc(-c4ccc(F)cc4)c(C)s3)C(=O)[C@@H]21 2111640 MXZBUTLPJRKJDV-YJEJQGFLSA-N 396.487 4.739 0 40 GJAB CCc1nc(SCC(=O)c2ccc(OC)cc2)c2oc3ccccc3c2n1 2444743 PHACYFOFCQNDOO-UHFFFAOYSA-N 378.453 4.922 0 40 GJAB CCCCOC(=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2594521 KYAKPSHSTWCMSG-UHFFFAOYSA-N 377.234 4.625 0 40 GJAB Cc1ccc(NC(=O)COc2ncnc3sc4c(c23)CCCC4)cc1Cl 3248004 OFZHVUZCEPIADJ-UHFFFAOYSA-N 387.892 4.549 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)s2)c1C 3284365 ISJNNDOLQRRBBG-OAHLLOKOSA-N 398.557 4.868 0 40 GJAB Brc1ccc(-c2noc(-c3ccccc3Br)n2)cc1 3584857 BZXYLDRZOAJJFC-UHFFFAOYSA-N 380.039 4.929 0 40 GJAB CCOC(=O)c1ccc2nc(Nc3nc4ccc(OC)cc4s3)sc2c1 4137745 RPZCDJHLCJWPDN-UHFFFAOYSA-N 385.470 4.835 0 40 GJAB CSc1ccc(CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)cc1 4307090 GJSFHASUYFLAED-QFIPXVFZSA-N 376.481 4.529 0 40 GJAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc2cc(Oc3cccc(C)c3)ccc2[nH]1 4702621 QPAAVTQXJJKZQJ-NRFANRHFSA-N 394.471 4.586 0 40 GJAB CC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 4816682 NQIXQQBPOCKYCC-QZTJIDSGSA-N 387.270 4.672 0 40 GJAB Cc1ccc2c(SCC(=O)NCCC(C)C)nc(-c3ccc(F)cc3)nc2c1 4895157 ICVSJAORVCVTLC-UHFFFAOYSA-N 397.519 4.999 0 40 GJAB CCc1c(C)sc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1C(N)=O 6122916 FAXNWOXNEVUELZ-BQYQJAHWSA-N 383.300 4.677 0 40 GJAB COc1cc(C)c(N[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 7057743 XSPLSBMBOKNBJC-LLVKDONJSA-N 383.275 4.758 0 40 GJAB COc1ccc(-c2csc(NC(=O)CN3CCC[C@H]3c3cccs3)n2)cc1 8039742 PIYGIWVXKSVLMH-KRWDZBQOSA-N 399.541 4.656 0 40 GJAB CSc1cccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c1 8281145 JEJMMHVFCDZZHA-UHFFFAOYSA-N 389.480 4.888 0 40 GJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 8499758 ZLKYANCQASJNEG-OAHLLOKOSA-N 395.927 4.913 0 40 GJAB Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)n(C)n1 9123190 JQEHYJDTQYJQFT-UHFFFAOYSA-N 388.254 4.519 0 40 GJAB Cc1cc(NC(=O)[C@H](Nc2ccc3nc(C)sc3c2)c2ccccc2)no1 9315081 SFRXGYKDYYHJME-LJQANCHMSA-N 378.457 4.693 0 40 GJAB c1ccc(COc2ccccc2-c2nc3cnccn3c2NC2CCCC2)nc1 12113888 OTYKXJKEQPYRGM-UHFFFAOYSA-N 385.471 4.725 0 40 GJAB COc1ccc([C@H]2CCCN2Cn2nc(C)n(-c3ccccc3)c2=S)cc1 12636287 QOQRTSPBXMGVNH-HXUWFJFHSA-N 380.517 4.515 0 40 GJAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)nn2)n1 13009924 AAEBRKPKAFWIOU-UHFFFAOYSA-N 399.458 4.667 0 40 GJAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2)cc1 13618919 HAZNACUBZUNFAU-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB COc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Cl)cc1 13626479 SSQMSNXABFDREC-UHFFFAOYSA-N 385.876 4.683 0 40 GJAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4cccnc4)ccc3c2C)cc1 15729346 YFGSTHMMZOOGGI-UHFFFAOYSA-N 386.407 4.628 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C4CCCCC4)s3)cc2)n1 16722298 SCUWVIBZYYTFGL-UHFFFAOYSA-N 381.505 4.641 0 40 GJAB Cn1cc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c2ccccc21 19290453 WVVZGZCLFZPBKS-UHFFFAOYSA-N 376.435 4.607 0 40 GJAB Cc1cccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1C 20144012 IQTHNHIYYQNLQK-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB Cc1cc(C)c(NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)c(C)c1 20767828 KBJTWAVGGQAPKB-UHFFFAOYSA-N 389.480 4.601 0 40 GJAB CCn1cc(C(=O)Nc2c(Cl)cccc2Cl)c(=O)c2cc(OC)ccc21 22235785 VRYAPNWPERTKDI-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)c(Cl)c1 22516154 QUSYHMMAYIOSEF-SFHVURJKSA-N 389.879 4.930 0 40 GJAB C[C@@H](NCc1cc(Br)ccc1F)c1ccc(NC(=O)C2CC2)cc1 28925382 HIPDMIYUDUXCHE-GFCCVEGCSA-N 391.284 4.788 0 40 GJAB CCN(Cc1cccc(NC(=O)c2ccc(F)c(F)c2)c1)C(=O)OC(C)(C)C 32912880 GKXXYKOWSAILJD-UHFFFAOYSA-N 390.430 4.974 0 40 GJAB O=C(O)c1ccc(N2N=C(c3ccc4c(c3)OCO4)C[C@@H]2c2cccs2)cc1 35655317 RCBRPGIKFWEBCG-QGZVFWFLSA-N 392.436 4.531 0 40 GJAB COc1cccc(CN(C)[C@H](C)c2nc3ccccc3n2C(F)F)c1OC 40049365 KGUXWOAVEQEMHG-CYBMUJFWSA-N 375.419 4.642 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 58306456 VBEFRROUKLABRZ-VINFYQEGSA-N 389.495 4.570 0 40 GJAB Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1cccc(C(F)(F)F)c1)CO3 61997685 WTOMCWYESXYLEV-UHFFFAOYSA-N 389.373 4.781 0 40 GJAB biogenic Clc1ccc(OC[C@H]2CCCO2)c(NCc2cn3cc(Cl)ccc3n2)c1 63470535 KKOUIXVJSCWAOT-MRXNPFEDSA-N 392.286 4.811 0 40 GJAB CC(C)(C)C(=O)Nc1nc2cc3sc(NC(=O)C(C)(C)C)nc3cc2s1 67321397 GTJBDANKBTVYQS-UHFFFAOYSA-N 390.534 4.875 0 40 GJAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN(CCCc3ccccc3)C2)n1 72355476 UCEIBXLXBUTULG-OAQYLSRUSA-N 389.547 4.598 0 40 GJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2nc3ccccc3s2)C1 77200201 DPCPUSCCSDWXJS-HZPDHXFCSA-N 395.484 4.586 0 40 GJAB O=C(Cc1csc(-c2cccnc2)n1)N1C[C@H]2CCCC[C@@]21c1ccccc1 79103527 RHBNBZDNQOZRTA-AUSIDOKSSA-N 389.524 4.676 0 40 GJAB O=C(Nc1sc(C2CC2)nc1-c1ccccc1)N[C@H](CCO)c1cccs1 95427219 NRHCNPNDPUBSGR-OAHLLOKOSA-N 399.541 4.994 0 40 GJAB OC1=Nc2c(cnn2-c2ccccc2F)[C@H](c2ccc(O)c(Cl)c2)SC1 95479800 BPVQSBZYEPCFFR-KRWDZBQOSA-N 389.839 4.795 0 40 GJAB CC(=O)c1ccc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)cc1 102722474 OITRARFYNKFRDR-UHFFFAOYSA-N 375.453 4.779 0 40 GJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1cccc(C(F)(F)F)c1 222582168 WMHGOLGSZQLPAB-UHFFFAOYSA-N 375.325 4.862 0 40 GJAB COc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225366162 ZEUGNMQBKYISMN-CYBMUJFWSA-N 382.287 4.518 0 40 GJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225731153 BFZAJVMNDAMSDN-CVDCTZTESA-N 390.568 4.864 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225842371 WJVRPLBZVKTMCT-AOMKIAJQSA-N 393.524 4.965 0 40 GJAB Cc1ccsc1CCC(=O)N1CCC(Oc2cccc3cccnc23)CC1 238969425 ZGNFESKYZDSOFE-UHFFFAOYSA-N 380.513 4.607 0 40 GJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1OC 239297068 DRMWSOVOERZZOW-PPRBQIKUSA-N 379.456 4.699 0 40 GJAB CC(C)c1cccc2c(=O)c(C(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)c[nH]c12 524732178 BUSDSPVGPIBYJV-NRFANRHFSA-N 399.494 4.940 0 40 GJAB biogenic O=C(N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)c1cc(=O)c2ccccc2[nH]1 568200718 JTGVNEHVEDJIGN-WBVHZDCISA-N 380.875 4.638 0 40 GJAB Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)NC[C@@H]1CCOC1(C)C 665964148 OJGIZALURFNSJV-KRWDZBQOSA-N 386.467 4.650 0 40 GJAB COc1cccc2cc(C(=O)NC[C@@H](O)c3ccc(-c4cccs4)cc3)oc12 1775978532 SXMMNDNYOZOWTO-QGZVFWFLSA-N 393.464 4.633 0 40 GJAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1Cl 976184 VRDCATYAUKZLJS-UHFFFAOYSA-N 388.858 4.904 0 40 GJAB CC1(C)C[C@]2(CCCN(CC(O)(c3ccccc3)c3ccccc3)C2)CCO1 1261672 ULQRQRGTCDZWGL-DEOSSOPVSA-N 379.544 4.594 0 40 GJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 1339993 LOXJFOVXCQNDIH-UHFFFAOYSA-N 394.496 4.608 0 40 GJAB CCC(=O)N(CC[C@@]1(C(C)C)CCOC(C)(C)C1)Cc1ccc2c(c1)OCO2 2101697 CZCARHUUZYJPRS-HSZRJFAPSA-N 389.536 4.775 0 40 GJAB biogenic Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)c1 2779352 XWCTUBNZJRPZHP-UHFFFAOYSA-N 396.450 4.685 0 40 GJAB O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCCCC1 3192791 MTHBBLOCKYFYHP-FQEVSTJZSA-N 394.342 4.946 0 40 GJAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 3291630 CVYVNTCDLRUUEL-BRADTZPFSA-N 391.389 4.851 0 40 GJAB CCOC(=O)c1ccoc1CSc1nnc(Nc2cccc(C)c2C)s1 3440797 ONSLJAFIMQUQGP-UHFFFAOYSA-N 389.502 4.961 0 40 GJAB Cc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2ccncc2)cc1C 3569168 NKNIABREXHZCGQ-LJQANCHMSA-N 380.517 4.607 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccccc1Cl 4305443 FEQYLSRDZWDDOV-IBGZPJMESA-N 382.916 4.935 0 40 GJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@H]1c1ccccc1 4816739 SUFCZIBXMCTZON-SFTDATJTSA-N 390.487 4.544 0 40 GJAB CCc1cc2ccc(OC)cc2nc1SCC(=O)c1ccc2c(c1)OCCO2 4849376 NWVQTROAMJVXLB-UHFFFAOYSA-N 395.480 4.552 0 40 GJAB COc1ccccc1NC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Cl 4941118 HGLGPXJDFKTWNQ-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB CC(C)c1ccc(NC(=O)CCCCCn2cnc3ccccc3c2=O)cc1 5270751 YGTYNNBUOCNITP-UHFFFAOYSA-N 377.488 4.719 0 40 GJAB C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc(F)c(F)c1F 5362077 BYWZDCYUHWUUJO-SNVBAGLBSA-N 397.418 4.618 0 40 GJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@H]1COc2ccccc2O1 7794086 JDZLXPYTEFCXFZ-LJQANCHMSA-N 388.448 4.742 0 40 GJAB Cc1ccsc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 7885195 MOALKWFLFNGBKB-HXUWFJFHSA-N 378.453 4.552 0 40 GJAB CCc1ccccc1N1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 7928781 CIMNVTGCJBRLID-OAQYLSRUSA-N 385.463 4.875 0 40 GJAB Cc1cc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)nn1C 9001754 TVGQTRNBJVZIGC-UHFFFAOYSA-N 390.468 4.897 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 9135093 VSSPCYDMUDXIJV-UHFFFAOYSA-N 388.423 4.679 0 40 GJAB O=C(CN1CCC(CCc2ccccc2)CC1)Nc1ccccc1C(F)(F)F 11155016 YCBJFEDDXOYJFL-UHFFFAOYSA-N 390.449 4.989 0 40 GJAB Cc1cc(C(=O)CSc2nccn2C2CC2)c(C)n1CCc1cccs1 11894476 FYEVGZANBSDIMX-UHFFFAOYSA-N 385.558 4.916 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 12568949 CRJPZZNISMEZRO-UHFFFAOYSA-N 389.499 4.791 0 40 GJAB CC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1Cl 12737645 SUBPBCPONGZLDE-UHFFFAOYSA-N 391.905 4.665 0 40 GJAB Fc1ccc(OCCCSc2nnc(NCCc3cccs3)s2)cc1 13018517 BZRRXPKMAMHDGQ-UHFFFAOYSA-N 395.550 4.955 0 40 GJAB Cc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c(Cl)c1 13324966 FUFUGHYJXIBUCF-UHFFFAOYSA-N 384.332 4.713 0 40 GJAB C[C@H]1CCc2c(sc3nc([C@@H](C)N4CCCc5ccccc54)[nH]c(=O)c23)C1 15349987 AFVOCWHADXMDEG-UONOGXRCSA-N 379.529 4.623 0 40 GJAB CNC1CCC2(CC1)CN(Cc1ccc3ncccc3c1)Cc1ccccc1O2 19592014 WUZREMJOKVIJKB-UHFFFAOYSA-N 387.527 4.530 0 40 GJAB CC(C)(C)[C@H]1CCc2nc(NC(=O)COc3ccccc3Cl)sc2C1 20897443 BFTSKTMUKBXEIG-LBPRGKRZSA-N 378.925 4.965 0 40 GJAB CC(C)c1ccc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCCC2)cc1 21148737 WTSHHERWGCTIHL-JOCHJYFZSA-N 386.580 4.836 0 40 GJAB COc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCCC2)cc1Cl 21170978 VZPYBEVZQAIQDN-SFHVURJKSA-N 378.944 4.609 0 40 GJAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 21787534 PWVUUQSMYFSZLK-OAQYLSRUSA-N 397.906 4.842 0 40 GJAB COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc(Cl)c1OC 22344875 CFAYFVSYIUCWNW-KPKJPENVSA-N 389.860 4.982 0 40 GJAB CCc1ccc2oc(C(=O)Nc3ccnn3Cc3ccc(OC)cc3)c(C)c2c1 32593707 AZGDOCWRRNABRH-UHFFFAOYSA-N 389.455 4.809 0 40 GJAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)cc1 32609551 LFHDNQDRBHBSBE-JOCHJYFZSA-N 381.431 4.847 0 40 GJAB C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cncn2)cc1 32738421 FZBDMVJHEIHDDI-INIZCTEOSA-N 394.906 4.610 0 40 GJAB CC(=O)c1ccc(NC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)cc1 32937000 LWQHSDHWIHQLSS-NRFANRHFSA-N 392.430 4.970 0 40 GJAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@@H]2CCCC[C@@H]21 40090229 RCRJKRKADYUDIB-YJBOKZPZSA-N 387.911 4.894 0 40 GJAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)NC2CCC(O)CC2)cc1 40103615 OBLVNFZMLKLJBD-UHFFFAOYSA-N 390.867 4.566 0 40 GJAB CCc1cccc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc23)c1 44169659 MMZBOVZPHFYTNK-UHFFFAOYSA-N 377.513 4.730 0 40 GJAB COc1ccc(C(=O)N2C(=S)C(c3cccc(C)c3)=NC23CCCC3)cc1 45932825 WNTULVWMQPGQAG-UHFFFAOYSA-N 378.497 4.546 0 40 GJAB CCCOc1c(Cl)cc(CN[C@H](Cn2ccnc2)C(C)(C)C)cc1OC 48302023 XDMJCQUSFAXGAS-GOSISDBHSA-N 379.932 4.538 0 40 GJAB Cc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)[C@H](C(=O)c3ccccc3)CN2C)cc1 52530357 AOCPPFBBSZTNPG-WXFUMESZSA-N 383.491 4.980 0 40 GJAB O=C(/C=C/c1ccc(Br)o1)N(Cc1ccccc1)c1ccccn1 60850146 MYGKHIMHKNYFOF-ZRDIBKRKSA-N 383.245 4.684 0 40 GJAB CN(CCOc1ccc(Cl)cc1)Cc1c(C2CCOCC2)[nH]c2ncccc12 72394995 JXPJCBOHOBORPJ-UHFFFAOYSA-N 399.922 4.621 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219369220 NBFMMDOUQYIUQG-PMACEKPBSA-N 397.515 4.888 0 40 GJAB C[C@@H]1CCCN(Cc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)cc2)C1 223213254 GSWWDFXTXDVUCL-RTBURBONSA-N 376.544 4.898 0 40 GJAB CCc1ccc(CC)c(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 224103944 OCHHGVKKOINUJC-UHFFFAOYSA-N 386.344 4.738 0 40 GJAB S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(Cc2ccco2)CC1 225214955 HJHZWTKZRXCGLG-UHFFFAOYSA-N 393.512 4.587 0 40 GJAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1C 225708386 YFSRHDONUSEDEQ-GOSISDBHSA-N 395.572 4.977 0 40 GJAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C(=O)OC 225853421 UDKUICGPSBXUEP-KSFYIVLOSA-N 391.508 4.576 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(C)cc2)cc1 409179477 OXGGTNDIKZJAAK-UHFFFAOYSA-N 390.435 4.622 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)N[C@@H]1CCO[C@@H](c2cccs2)C1 581115244 SQFNILSADFXOFT-UKRRQHHQSA-N 385.316 4.774 0 40 GJAB COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1Cl 681074 FGXMFODMIMZXND-UHFFFAOYSA-N 389.691 4.782 0 40 GJAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc2c(c1)OCCO2 948607 PIVUTMYGTWDMLC-UHFFFAOYSA-N 398.846 4.888 0 40 GJAB CC[C@@H]1C(=O)OCc2c1cc1n(c2=O)[C@@H](CC)c2c-1nc1ccccc1c2Cl 1768019 DMEFYKZHPYTSLZ-ZBEGNZNMSA-N 394.858 4.580 0 40 GJAB CC[C@H](C)n1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21 2235463 RPIOOZCVQOFFQC-ZDUSSCGKSA-N 392.459 4.643 0 40 GJAB CC(C)Cc1nc2sc3c(N4CCCC4)ncnc3c2c2c1COC(C)(C)C2 2298598 PIJCKHFNDYCUHP-UHFFFAOYSA-N 396.560 4.890 0 40 GJAB CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 2478071 POBXIFYIINKZSR-SFHVURJKSA-N 388.448 4.562 0 40 GJAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(C)cc1 2889698 QKMJNTMEXANBPI-UHFFFAOYSA-N 381.453 4.771 0 40 GJAB O=C(/C=C/c1cccs1)Nc1ccccc1C(=O)OCC(=O)c1cccs1 3168500 UBWMIBIANCSLSB-MDZDMXLPSA-N 397.477 4.501 0 40 GJAB CCOC(=O)C1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 3256531 BUYBUEZXGWXCTD-UHFFFAOYSA-N 386.300 4.623 0 40 GJAB COc1ccc([C@@H]2CN3C(=O)c4ccccc4[C@H]3c3[nH]c4ccccc4c32)cc1 4085162 HOTPJNHJORDMLS-RDPSFJRHSA-N 380.447 4.867 0 40 GJAB biogenic CCC(CC)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(OC(C)C)cc1 5642660 QPSJAJKJWQSERD-GOSISDBHSA-N 389.521 4.512 0 40 GJAB COc1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 5661882 IKUIWAFMTVPPGO-UHFFFAOYSA-N 388.876 4.662 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCCOc2cccc3ccccc23)c1 5750582 HHKSPJCGZIOZFY-UHFFFAOYSA-N 377.484 4.846 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(C)s1)c1ccccc1 5974503 ZPUODTGFVAQYGN-HXUWFJFHSA-N 395.480 4.992 0 40 GJAB Cc1cccn2cc(CSc3nc4ccccc4c(=O)n3C3CCCC3)nc12 5982313 QMFXGCRRWGOACV-UHFFFAOYSA-N 390.512 4.760 0 40 GJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(Cl)cc1 6243373 JFYOSPXKLYBCDA-ZDUSSCGKSA-N 376.909 4.746 0 40 GJAB COc1cccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)n2C)c1 6586841 VZZCJJLBNKRACJ-UHFFFAOYSA-N 389.480 4.619 0 40 GJAB Cc1ccc2nc(CSc3nnc(COc4ccccc4Cl)o3)cn2c1 6608489 NXEATZDIUDOSQU-UHFFFAOYSA-N 386.864 4.550 0 40 GJAB Cc1ccc(-c2noc(CN(C(=O)[C@H](C)Oc3cccc(C)c3)C(C)C)n2)cc1 6812337 SURRQYCKGHAIEB-SFHVURJKSA-N 393.487 4.558 0 40 GJAB CCOc1ccc(-c2nc(COc3ccc4ccc(=O)oc4c3)cs2)cc1 7716032 ZYLZOXBDBJITAX-UHFFFAOYSA-N 379.437 4.894 0 40 GJAB COc1ccc(CN(C)C(=O)CSCc2c(Cl)cccc2Cl)cc1 7871792 MVAADGKCIQDIBR-UHFFFAOYSA-N 384.328 4.894 0 40 GJAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(-c2ccccc2)cc1 8189873 IBJOJRKDIRUNCM-UHFFFAOYSA-N 392.509 4.931 0 40 GJAB CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccc(C)cc1 8203111 RMAKVLFGUFTTLJ-UHFFFAOYSA-N 383.517 4.795 0 40 GJAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8366802 CBRVDGDNWKYNFL-GOSISDBHSA-N 392.480 4.559 0 40 GJAB CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)c1 8917234 GPVPSQRQNMKTLB-OAQYLSRUSA-N 391.467 4.927 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3cccnc3)c3cccc(C)c3C)c(=O)[nH]c2c1 9122248 DTIQDWJUZFJXQL-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3cccc(C)c3C)cs2)c1 9625576 JPMPCKBKMSDSQB-UHFFFAOYSA-N 394.500 4.894 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)c1cc2cc(Br)ccc2o1 10146685 DZUTZEFZLRZROQ-UHFFFAOYSA-N 383.245 4.649 0 40 GJAB biogenic CCN(CC)C(=O)[C@H](C)Oc1c(-c2ccccc2Cl)oc2ccccc2c1=O 12000397 ZEWXCXOJRUFOFC-AWEZNQCLSA-N 399.874 4.749 0 40 GJAB Cc1nc(Nc2ccc(NC(=O)c3ccccc3F)cc2)cc(OC(C)C)n1 12225671 AJQFUXGYOVMDDH-UHFFFAOYSA-N 380.423 4.707 0 40 GJAB O=c1c2ccccc2nc(SCc2cccnc2)n1-c1ccc(F)c(Cl)c1 12539385 BSPRRLHKGATBMP-UHFFFAOYSA-N 397.862 4.866 0 40 GJAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2nc1C 12766061 FAOIJLOQQYHYER-LJQANCHMSA-N 388.496 4.834 0 40 GJAB COc1cc(/C=C/C(=O)N2CCc3sccc3[C@@H]2C)ccc1OC(F)F 12776356 SZBIOSFGWQRUAW-FUEXJSSKSA-N 379.428 4.517 0 40 GJAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)C1 12993742 OFRZDRWCBQOBAF-TXEJJXNPSA-N 381.904 4.666 0 40 GJAB Cc1nc(Nc2nc(C)c(C(=O)Nc3cccc(Cl)c3)c(C)n2)sc1C 13610757 TWIMTJWCWLLDSZ-UHFFFAOYSA-N 387.896 4.816 0 40 GJAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 13926200 XCDDDCHOSACHJL-MTJSOVHGSA-N 391.373 4.888 0 40 GJAB COc1ccc(-c2nnc3sc(COc4cccc5ccccc45)nn23)cc1 13956906 HWALOXBGXVPDNN-UHFFFAOYSA-N 388.452 4.594 0 40 GJAB Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c12 17080266 DWLDJEFRDXIUSE-UHFFFAOYSA-N 392.547 4.897 0 40 GJAB Cn1ncc2c(Nc3ccccc3)nc(N3CCC(Cc4ccccc4)CC3)nc21 17148903 UHNVXFNXQBKQDG-UHFFFAOYSA-N 398.514 4.566 0 40 GJAB Cc1nccn1Cc1ccccc1C(=O)Nc1ncc(Cc2ccccc2)s1 19288249 OUKUZOPROIQXER-UHFFFAOYSA-N 388.496 4.539 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)NCCCc2ccccc2Cl)cc1OC 20045971 XELNVYSBGXOGLY-AWEZNQCLSA-N 393.936 4.587 0 40 GJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 20492646 JKIMTPXJFTYRIM-IBGZPJMESA-N 394.515 4.644 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2nc(-c3ccccc3)oc2C)c(OC)c1 23312769 CTXYCFHFZXCFEM-IBGZPJMESA-N 392.455 4.645 0 40 GJAB O=C(Cc1ccccc1)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 24750776 KLALZDKBXQPMDH-UHFFFAOYSA-N 380.879 4.506 0 40 GJAB COc1ccc(OC)c(CN(Cc2cc(=O)oc3cc(C)c(C)cc23)C2CC2)c1 27603531 YVHIZLYJIYWAFC-UHFFFAOYSA-N 393.483 4.592 0 40 GJAB O=C(CN[C@@H](c1ccc2c(c1)CCC2)c1cccs1)N1CCc2ccccc21 28650501 XLLZBXNMPYMGDO-DEOSSOPVSA-N 388.536 4.505 0 40 GJAB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCc2ccccc21 29482263 RAJPOCZSUSJTDR-QGZVFWFLSA-N 382.813 4.917 0 40 GJAB O=C(NCCCOCc1ccccc1)c1ccc(SCc2cscn2)cc1 32902094 BSOKETLTJYKXCC-UHFFFAOYSA-N 398.553 4.772 0 40 GJAB C[C@@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1cccnc1 32928342 IZFYQIDATNYXDA-CYBMUJFWSA-N 398.260 4.522 0 40 GJAB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(Cl)cc1Cl 35043347 LTUKNQIFHDUDLN-VGOFMYFVSA-N 393.251 4.774 0 40 GJAB CN(c1ccccc1)c1ccccc1NC(=O)CCCNC(=O)c1cccs1 40114516 BJEHPWWFILLAEI-UHFFFAOYSA-N 393.512 4.665 0 40 GJAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCCC1 44087471 BTIWJRAAYXERKP-UHFFFAOYSA-N 397.931 4.907 0 40 GJAB CN(Cn1nc(-c2ccccc2)oc1=S)[C@@H](c1ccccc1)c1ccccn1 48275241 FJCYZZJDOWEQRR-FQEVSTJZSA-N 388.496 4.946 0 40 GJAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(OCc2cccnc2)c1 49544288 LOHAPQBTUASNLS-SFHVURJKSA-N 376.460 4.736 0 40 GJAB O=C1C2=C(CCCC2)[C@@H](NCc2ccccc2)N1CCc1ccc(Cl)cc1 57095599 VAPXHRSGYGAJIY-QFIPXVFZSA-N 380.919 4.711 0 40 GJAB CCOc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 64471809 GTNOVMJBMJRCHL-UHFFFAOYSA-N 379.435 4.752 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Oc2ccncc2)cc1 72284734 FWRKWALLRLLEBJ-UHFFFAOYSA-N 375.453 4.756 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72357983 VXYKQNGIBHODEH-HSZRJFAPSA-N 392.449 4.857 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2Cc2cn(C)nc2C)n1 72370033 YBLLKULAZVMDPK-QHCPKHFHSA-N 378.495 4.965 0 40 GJAB Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)n2)n1 72375290 RCHXVRIDKHWILX-GOSISDBHSA-N 396.491 4.635 0 40 GJAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2cccc(OC(F)F)c2)C1 72404549 BLFMTCDBLVKGPO-CQSZACIVSA-N 375.400 4.718 0 40 GJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](CCCO)c1ccccc1 84064635 LAPANOCGTFEBKD-GOSISDBHSA-N 384.476 4.501 0 40 GJAB CO[C@H](C)c1cccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)c1 89905236 UECPKRVVCLUCDU-UZLBHIALSA-N 382.504 4.626 0 40 GJAB C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cncc(Br)c1Cl 95452780 ROAQSZMYGYTTCL-WCQYABFASA-N 394.700 4.907 0 40 GJAB CC[C@H](Nc1nc(Cl)c(C(=O)OC)s1)c1nc(-c2ccccc2)c[nH]1 95460561 UPMAYGPLEOAWJH-NSHDSACASA-N 376.869 4.536 0 40 GJAB Cc1nc(C)c(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)s1 95477804 HGCPFDBXJFIAAW-UHFFFAOYSA-N 382.301 4.900 0 40 GJAB Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)n2)cc1NC(=O)c1ccccc1 95957861 DJSQKGBXPGCCMQ-UHFFFAOYSA-N 399.372 4.913 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)c1 98086985 YDWGCQHJFNUGAB-UHFFFAOYSA-N 389.451 4.737 0 40 GJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)n1 100739104 RRBUUIJRULOWSN-XEYPJELSSA-N 392.547 4.708 0 40 GJAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc12 222604895 RJNWDVMLBACYAI-OAHLLOKOSA-N 379.456 4.833 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1Cc1ccco1 223331242 HVOHMIZRZJSAMM-JKSUJKDBSA-N 375.906 4.562 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 225114389 ZRSGWXUOBAGREG-LEWJYISDSA-N 394.559 4.568 0 40 GJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(C(C)(C)C)cc1 225181955 UCSMVNHJXTWABE-SFHVURJKSA-N 395.543 4.825 0 40 GJAB COC(=O)c1cccc(NC(=S)NCCSc2ccc(Cl)cc2)c1C 225288133 UQKKMZNJTNSSLS-UHFFFAOYSA-N 394.949 4.514 0 40 GJAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)s1 225635557 GPSWYPWVFVQGIC-ZDUSSCGKSA-N 385.942 4.798 0 40 GJAB CO[C@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 225704677 HBJFAWLYVRJFIP-CYBMUJFWSA-N 391.842 4.857 0 40 GJAB COc1cccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2Cl)c1 226288224 UTSJNVRHMLDMHT-UHFFFAOYSA-N 392.842 4.761 0 40 GJAB O=C1[C@H]2[C@@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 226395816 BTIQDACSUXCHFU-VXFOTIGLSA-N 386.278 4.923 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]32)C1 255200761 BQIBBYLXJDSLIR-YJVYEJQWSA-N 376.537 4.893 0 40 GJAB biogenic CCC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(F)c2F)C1 257267873 MJDVVMCRBBLZJD-WAOWUJCRSA-N 377.406 4.982 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(C)c2)cc1 408696316 ZRIVXNAFZRHZRL-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1ccc(C)n1CCCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1C 575443193 KSVSCFPXNUJOBG-JOCHJYFZSA-N 392.547 4.916 0 40 GJAB CCOc1cc(C(=O)OC)ccc1NC(=O)Nc1cc(OC)c2ccccc2c1 1209174543 HCQWACVCNONGPG-UHFFFAOYSA-N 394.427 4.678 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2Cl)cc1 644328 AVHBFIHBLCYSGY-INIZCTEOSA-N 388.341 4.738 0 40 GJAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc3c(cc12)CCC3 705862 KFYYMKJMBVLJNL-UHFFFAOYSA-N 377.391 4.638 0 40 GJAB Cc1c(C[C@H](C)O)c(=O)oc2cc(OCc3ccc(Cl)cc3)c(Cl)cc12 1254459 IGHHXNCDJZQBDR-NSHDSACASA-N 393.266 4.911 0 40 GJAB Cc1cccc(C)c1NC(=O)c1c(O)n(CCC(C)C)c2ccccc2c1=O 1255549 CTOJJURJJQACLA-UHFFFAOYSA-N 378.472 4.622 0 40 GJAB CC(C)Cc1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1CCCC2 1301673 CAHSMISNWQGXDN-AWEZNQCLSA-N 396.560 4.908 0 40 GJAB COc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(C)=O)ccc3c2=O)c1 1448011 JFQPJDLWDINLCW-UHFFFAOYSA-N 394.301 4.538 0 40 GJAB biogenic CCOC(=O)CCc1c(C)c2ccc(OCc3cc(C)ccc3C)cc2oc1=O 2096460 FPXOBYYFFGFKTD-UHFFFAOYSA-N 394.467 4.793 0 40 GJAB biogenic CCOP(=O)(OCC)c1nc(-c2ccccc2Cl)oc1N1CCCCC1 2147298 CZGWUBUJJOIWML-UHFFFAOYSA-N 398.827 4.877 0 40 GJAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](c1cccs1)N1CCCC1 3261406 OBFOYEVPUNNBPG-CXAGYDPISA-N 382.451 4.722 0 40 GJAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 3477590 NGWBRWINKVDNFJ-UHFFFAOYSA-N 390.439 4.763 0 40 GJAB Cc1sc2ncnc(SCC(=O)N(Cc3ccccc3)C(C)C)c2c1C 3495343 LSXMTLPXXGDCLC-UHFFFAOYSA-N 385.558 4.837 0 40 GJAB O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 4273193 TVCOASHBVWJWJH-UHFFFAOYSA-N 391.471 4.996 0 40 GJAB Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C(C)C)c(C)n1C1CC1 4948565 VXQUVGNNNADNOZ-UHFFFAOYSA-N 395.528 4.706 0 40 GJAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCCC3)c1ccc(Cl)cc1 5543872 ATSPNHDXRKENRF-UHFFFAOYSA-N 382.843 4.977 0 40 GJAB CCCCCC(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 5946113 NVXMICONEMOZTE-UHFFFAOYSA-N 397.500 4.902 0 40 GJAB Cc1ccc(/C=C/C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)o1 6790310 RJIHANUBPXLITE-QZMUEMGWSA-N 379.387 4.664 0 40 GJAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cc2ccccc2o1 6886017 IIORYRONYJLPEI-UHFFFAOYSA-N 387.873 4.823 0 40 GJAB CCOc1cc2c(cc1/C=C(\CC(=O)O)c1nc3ccccc3o1)O[C@H](C)C2 7001037 DDPWTARHBUWLPQ-BPKVKKHESA-N 379.412 4.565 0 40 GJAB CC[C@@H](C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)c1ccccc1 7757765 YYEKDRKJNFQCFT-MRXNPFEDSA-N 382.485 4.960 0 40 GJAB COc1cccc(CC(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)c1 7988301 YRRSYYOKKOWQDL-HXUWFJFHSA-N 390.508 4.729 0 40 GJAB CCOc1cc(CNC)cc(Br)c1OCc1ccc(Cl)cc1 8253934 LKSIKTHFPYKGOL-UHFFFAOYSA-N 384.701 4.800 0 40 GJAB COc1c(Br)cc(Br)cc1CNC1CCCCC1 8469456 FXUMBUJXWCRRHH-UHFFFAOYSA-N 377.120 4.643 0 40 GJAB CC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1ccco1 9579578 IZIJTBCHZASRHM-QFIPXVFZSA-N 396.450 4.830 0 40 GJAB Cc1cccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCCC3)n2)c1 10213484 OVBXOQQHMLUNDG-UHFFFAOYSA-N 380.883 4.921 0 40 GJAB CCSc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 10252461 VTRMEBWHJALVFE-UHFFFAOYSA-N 398.509 4.832 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10336967 XXHROULKGQAQBN-UHFFFAOYSA-N 380.532 4.941 0 40 GJAB Cc1ccc(OCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c2c1[C@H](C)CC2=O 11052944 REKSUVGBHVQOOI-CMJOXMDJSA-N 383.463 4.716 0 40 GJAB COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NCc1ccccc1 12062705 SEBKKQHLTVDYGH-BUHFOSPRSA-N 384.372 4.568 0 40 GJAB Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442001 NSOZGYQQEZETMB-UHFFFAOYSA-N 396.422 4.835 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1CCC(C)C 12760294 IYTQPUTZXKLHAB-UHFFFAOYSA-N 386.565 4.930 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2c(F)cccc2Cl)c(OC)c1 12784834 MTUUBUARJZQDLI-VYENPZKTSA-N 389.854 4.873 0 40 GJAB C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 13041440 HSPLIDPQKOMDAL-SNVBAGLBSA-N 397.340 4.764 0 40 GJAB CCOCCCNC(=O)Cc1sc(Nc2ccccc2)nc1-c1ccccc1 13070378 YPIZCEKVJFOZRB-UHFFFAOYSA-N 395.528 4.639 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1cccnc1Sc1ccccc1Cl 13140792 ONYAMWXNQVBQFB-UHFFFAOYSA-N 384.844 4.867 0 40 GJAB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1cc2cc(Cl)ccc2o1 13627119 TVLFHQOKQUNALA-UHFFFAOYSA-N 398.802 4.615 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1cccc(OCc2cscn2)c1 16202833 RWOLTCULDVFJLE-UHFFFAOYSA-N 389.274 4.737 0 40 GJAB O=C(Cc1coc2cc3c(cc12)CCC3)N[C@H]1CCSc2c(F)cccc21 16300686 XVDCZJXOEKCJTC-IBGZPJMESA-N 381.472 4.956 0 40 GJAB CC(C)c1ccc(C(=O)NCc2c(-c3ccccc3)nc3n2CCS3)cc1 17113621 SFDTVULCOGDFHZ-UHFFFAOYSA-N 377.513 4.709 0 40 GJAB COc1ccc(-c2cc(NC(=O)c3cccc(OC)c3OC)ccc2OC)cc1 17604680 GTWWKGOYYGGNKX-UHFFFAOYSA-N 393.439 4.640 0 40 GJAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 17823024 PUKUKRSJLWIPPS-LJQANCHMSA-N 399.494 4.921 0 40 GJAB CC(C)N1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19447758 BLUGUBRQZZPIEJ-GFCCVEGCSA-N 380.439 4.674 0 40 GJAB Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCN(Cc2ccccc2)CC1 20192870 REBUBYSUEWICLT-SANMLTNESA-N 396.538 4.779 0 40 GJAB COc1cc([C@@H]2O[C@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)cc(OC)c1OC 20228295 LOKJUZWMHIWIBX-UVQUFPMPSA-N 398.455 4.587 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2Cl)ccc1Cl 20458138 UHXFTDMOIZYQCX-NSHDSACASA-N 382.243 4.576 0 40 GJAB Cc1ccc2c(CSc3nc(C)c(C)n3C[C@H]3CCCO3)cc(=O)oc2c1C 21568758 NNWBEVMDNQBORK-GOSISDBHSA-N 398.528 4.694 0 40 GJAB O=C(CCc1ccc2c(c1)OCO2)N(CCc1ccccc1)Cc1cccs1 21974273 GYFMUGGOGIWUKY-UHFFFAOYSA-N 393.508 4.681 0 40 GJAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1OC 22520289 IIOHBWSSAUZJCS-HOTGVXAUSA-N 379.456 4.502 0 40 GJAB Cc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2)c1 28534621 YPKAVZIOQNUNMA-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB CC[C@@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cc(C)on1 31423926 CRSROYGYGGSWHD-OAHLLOKOSA-N 391.880 4.942 0 40 GJAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1 32096068 XJJQMTIJLNCKQV-INIZCTEOSA-N 380.835 4.683 0 40 GJAB C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc2c(c1)OCO2 32795346 OHPBFHZYQAWXBM-RNODOKPDSA-N 398.459 4.766 0 40 GJAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccc(F)cc2F)CC1 35312721 XNFJYRYLADFYNZ-UHFFFAOYSA-N 378.806 4.745 0 40 GJAB O=C1S/C(=C\Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1 36636260 FJVPMUBPCIYTJS-GDNBJRDFSA-N 378.375 4.854 0 40 GJAB Cc1noc(COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)n1 40039780 HHVHLJNGHDPXHN-UHFFFAOYSA-N 379.803 4.604 0 40 GJAB Cc1ccc(N(C(=O)c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 40968010 HUPZHRGKUYGDBY-UHFFFAOYSA-N 379.481 4.648 0 40 GJAB O=C(Nc1sccc1C(=O)NC1CC1)c1ccc(SC(F)(F)F)cc1 48342447 IWJOVUXIPJWWNL-UHFFFAOYSA-N 386.420 4.505 0 40 GJAB O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccccc1C(F)(F)F 57369058 NSEUBYUUIWGMBS-CQSZACIVSA-N 379.378 4.906 0 40 GJAB CC[C@H](C)[C@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 58007487 GIPLZWLSEWDFTQ-IRXDYDNUSA-N 394.544 4.577 0 40 GJAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 84148605 UJNYBXGQKTWQEY-OUKQBFOZSA-N 384.432 4.734 0 40 GJAB O=C(Nc1ccccc1[C@H](O)C(F)(F)F)c1csc(-c2ccccc2F)n1 95465503 MCBJQQVSAPFTLM-HNNXBMFYSA-N 396.365 4.797 0 40 GJAB CC(=O)c1ccc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cc1 95956696 KMNZIRJXXUKEOV-UHFFFAOYSA-N 375.472 4.933 0 40 GJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccccc2Cl)S1 96116841 VCZGQXWNGDKBLT-WBMJQRKESA-N 391.924 4.846 0 40 GJAB CC(C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 97105886 LUWMCMYRQVFJHX-MRXNPFEDSA-N 375.266 4.766 0 40 GJAB Oc1ccc(Cc2nc(-c3ccc(O)cc3)n(-c3ccc(O)cc3)c2Cl)cc1 100519442 LMXVCPIUMGYJAU-UHFFFAOYSA-N 392.842 4.900 0 40 GJAB O=C(c1ccc(Br)o1)N1CCS[C@@H](c2ccccc2F)CC1 219100309 UWHXKTPUHJKFPY-CQSZACIVSA-N 384.270 4.502 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C 222809635 XKWHHZBTOIDQLS-YADHBBJMSA-N 390.556 4.790 0 40 GJAB COc1ccc(OCc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2OC)cc1 224262824 JCSPHPDXJUMTOZ-KRWDZBQOSA-N 391.467 4.774 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 224677359 FSLKVHDJQSAXFV-KSFYIVLOSA-N 393.483 4.892 0 40 GJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C 225574929 FAJKYMGFSMWLNM-QGZVFWFLSA-N 385.479 4.998 0 40 GJAB COCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 245380049 PTUWZIHJUNFZQP-ALQCLRNSSA-N 390.527 4.749 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cn2)C1 257234881 GVLPMAJFXZFLDT-SFHVURJKSA-N 382.460 4.561 0 40 GJAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2ccc(F)cc2)cc1 257289503 PYYDNTLHBZMBRG-UHFFFAOYSA-N 393.414 4.653 0 40 GJAB Cc1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 408618476 CVUZIGPYPUVJEI-UHFFFAOYSA-N 376.481 4.701 0 40 GJAB O=C(Nc1ccccc1Cl)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408700023 YMXWFWNICUQKJP-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)c1C 409309839 NCHHUNSCDVFHIE-BPLVKSTGSA-N 392.480 4.535 0 40 GJAB COc1ccc([C@@H](NC(=O)Nc2ccc3c(ccn3C)c2)C(C)C)cc1OC 604419221 PPUHFGFSQAYXTM-NRFANRHFSA-N 381.476 4.714 0 40 GJAB Cc1ccc(C)c(SCCc2nn3c(Cc4ccccc4)nnc3s2)c1 632785 VFHLHSACKFRTOH-UHFFFAOYSA-N 380.542 4.728 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 1024894 TXLBCYWLUIFWCA-UHFFFAOYSA-N 379.529 4.556 0 40 GJAB Cc1cc(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc(C)c1Cl 1088475 FHICXPHVLCJFFI-UHFFFAOYSA-N 398.846 4.820 0 40 GJAB O=C(c1cn(-c2ccccc2C(F)(F)F)nn1)c1ccc(Cl)cc1Cl 1392892 VLFFJWMWVKQROL-UHFFFAOYSA-N 386.160 4.824 0 40 GJAB CCc1nc(SCC(=O)Nc2ccccc2)c2c3c(sc2n1)CCCC3 2356295 MGVRWNJEOJSZHC-UHFFFAOYSA-N 383.542 4.863 0 40 GJAB O=C(c1ccccc1)c1cn(Cc2cccc(F)c2)c2ccc(F)cc2c1=O 2687012 HCDITTBFAXTQPN-UHFFFAOYSA-N 375.374 4.559 0 40 GJAB CC(=O)c1cccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)c1 2761889 MBEZWJRTVSFQDQ-UHFFFAOYSA-N 375.424 4.802 0 40 GJAB CCCC(=O)Nc1scc(-c2ccc(Br)cc2)c1C(=O)OC 2889595 BKYJWHJDEUEOEJ-UHFFFAOYSA-N 382.279 4.703 0 40 GJAB CCOC(=O)Nc1ccc2c(CSc3nc4ccccc4o3)cc(=O)oc2c1 3317517 SGTYXQASSYBTDD-UHFFFAOYSA-N 396.424 4.795 0 40 GJAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1 4059652 FMFVRDKRFKJSTJ-UHFFFAOYSA-N 376.481 4.691 0 40 GJAB O=C(Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1cccc(Cl)c1 4476415 MWLCMCFKBMZVSF-UHFFFAOYSA-N 394.814 4.573 0 40 GJAB CCCCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2ccc(F)cc2)s1 4880438 DDQOGMVJWFBOOH-UHFFFAOYSA-N 399.491 4.729 0 40 GJAB Cc1ccc(C(=O)O)cc1NC(=O)CSc1nc2cc(Cl)ccc2s1 5059909 NWCBHHXYVNZBOJ-UHFFFAOYSA-N 392.889 4.687 0 40 GJAB O=C(NC[C@H]1CCCO1)c1ccccc1Nc1ccc(SC(F)F)cc1 5446845 LZENDHFABKVEAA-CQSZACIVSA-N 378.444 4.654 0 40 GJAB CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 6346318 CAILQOMVIOGLTO-VCHYOVAHSA-N 398.459 4.624 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1C 6348436 KSPSHOOSJCLTIM-UHFFFAOYSA-N 385.510 4.956 0 40 GJAB CN(C(=O)c1ccc(Cl)cc1)c1ccccc1C(=O)NCCc1ccccc1 6379250 UYMAJSQVDVMITD-UHFFFAOYSA-N 392.886 4.589 0 40 GJAB O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)C12CC3CC(CC(C3)C1)C2 6550182 XWWSPJKINOOTNV-ZZXKWVIFSA-N 390.426 4.630 0 40 GJAB O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1ccc(Cl)c(Cl)c1 6876447 LDIULKBANMWUNR-UHFFFAOYSA-N 395.217 4.943 0 40 GJAB COc1ccc(CCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 7687538 VTLXJQZPFILENB-UHFFFAOYSA-N 395.886 4.900 0 40 GJAB Clc1cc(CSc2nnc(C3CC3)n2C2CC2)cc2c1OCCCO2 8314707 KKSZGZQGCOBBCW-UHFFFAOYSA-N 377.897 4.597 0 40 GJAB Cc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)o1 8389097 YIPMJGNDAJOGLG-UHFFFAOYSA-N 391.496 4.834 0 40 GJAB CCOc1ccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCCC3)n2)cc1 10213648 UCYUZWAXYKGUNL-UHFFFAOYSA-N 390.491 4.666 0 40 GJAB CCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3ccc(CC)cc23)c1 11990267 OBEYVHWXJZNWNQ-UHFFFAOYSA-N 392.455 4.894 0 40 GJAB COc1ccccc1N(C(=O)Nc1ccc(Cl)cc1)C1=NC[C@H](C)S1 12418127 NLQXDPTXESXYCX-LBPRGKRZSA-N 375.881 4.878 0 40 GJAB CC(C)n1ncc2c(C(=O)N(C)Cc3ccccc3)cc(-c3ccccc3)nc21 12771243 BAMGWLWELJMPFI-UHFFFAOYSA-N 384.483 4.951 0 40 GJAB O=C(Nn1cnc2ccccc21)c1ccccc1OCc1ccc(Cl)cc1 12798464 CTSWNWQIMJAGLS-UHFFFAOYSA-N 377.831 4.653 0 40 GJAB CCC[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 12804814 RVDDPIWOZLRQOR-NSFRLNINSA-N 390.527 4.596 0 40 GJAB CN(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 12849899 QWHHPCKYDOGNBG-UHFFFAOYSA-N 390.874 4.502 0 40 GJAB C[C@@H](OCCCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 12860981 CJFAOAVKMJZMKE-QGZVFWFLSA-N 396.462 4.697 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Br)cc1F 12886808 IJZKMPWOSVRVEY-UHFFFAOYSA-N 392.253 4.667 0 40 GJAB COc1ccc(C)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 12927229 WFURHOFBLLFGTG-UHFFFAOYSA-N 382.485 4.529 0 40 GJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 13997971 XFZVMNLTDZXSAK-UHFFFAOYSA-N 386.517 4.623 0 40 GJAB COc1ccc([C@@H]2CC(O)=Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1O 15082131 WQMJEICGMAABLJ-ZDUSSCGKSA-N 395.436 4.951 0 40 GJAB Cc1cc(C)cc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)c1 17010825 DPRJJCZXBTWIOH-UHFFFAOYSA-N 384.487 4.776 0 40 GJAB CCOc1cc(CN[C@@H](Cc2ccsc2)c2ccc(C)cn2)ccc1OC 19532145 AZNATTVLZZTYHD-FQEVSTJZSA-N 382.529 4.932 0 40 GJAB Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c2ccccc2n1 19569433 PTJUYAGDIDCVNM-QHCPKHFHSA-N 396.494 4.595 0 40 GJAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccccc1)C3 19882445 DWGORMXXHWHMFW-UHFFFAOYSA-N 383.875 4.794 0 40 GJAB COc1ccc(CCC(=O)Nc2c(-c3ccccc3)nc3sccn23)cc1 25740097 DLOZBNRCNBGENW-UHFFFAOYSA-N 377.469 4.643 0 40 GJAB Cc1cccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)no2)c1 28580721 RCCSIYGSKAXOEG-OAHLLOKOSA-N 379.460 4.749 0 40 GJAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 30032377 ZMVIPMIFYPGWTD-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB CCOc1ccc(CCC(=O)Nc2cccc(Br)c2)cc1OCC 30864629 FOTQSFRPVLKPDF-UHFFFAOYSA-N 392.293 4.818 0 40 GJAB CCC(CC)C(=O)Nc1nc(C)c(-c2nc(-c3ccc(OC)cc3)no2)s1 32089972 OCGVXDWEILECPY-UHFFFAOYSA-N 386.477 4.552 0 40 GJAB COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)c1 32593333 DDAQXRCNUATARG-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB CCc1ccc([C@H](C)NC(=O)c2ccccc2OCc2c(C)noc2C)cc1 36674816 GHAGFMWVBAFQOC-HNNXBMFYSA-N 378.472 4.924 0 40 GJAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(Cc2ccccc2Cl)CC1 39763463 DNOHORCYEPNOJP-UHFFFAOYSA-N 386.967 4.637 0 40 GJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1nc(C(C)C)cs1 40005349 RABNVBWZXBPMLS-UHFFFAOYSA-N 385.537 4.780 0 40 GJAB COc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 40485291 RAEMQLCXNQGYCV-QFIPXVFZSA-N 389.426 4.887 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1ccccc1Cl 48362298 HMRUKVFCDLSSEO-UHFFFAOYSA-N 397.906 4.570 0 40 GJAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(Br)c(C)c2)cc1 51354305 ZVILAMIQPGNKAE-UHFFFAOYSA-N 377.238 4.578 0 40 GJAB CCc1ccc2cc(CNc3ccc(N4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2c1 57712647 VUDYQIKSTOWBHA-QGZVFWFLSA-N 375.516 4.939 0 40 GJAB Cc1cccc(NC(=O)CN(CCc2ccccn2)Cc2ccc(F)cc2)c1C 58305769 HOPHGARAKINPIM-UHFFFAOYSA-N 391.490 4.521 0 40 GJAB Cc1nn([C@H](C)CC(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C 60016544 PVYSYHNIZVVTTF-SLSISDSVSA-N 379.548 4.848 0 40 GJAB C[C@@H](Nc1c(C(=O)N2CCCC2)cnc2ccc(F)cc12)c1ccc(F)cc1 67288276 SFWQYCOWKYMUNS-CQSZACIVSA-N 381.426 4.922 0 40 GJAB O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 70012435 VLLKWGAQMIIDOG-SFHVURJKSA-N 398.466 4.770 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72357609 DTTBMFXLSWTVQB-QFIPXVFZSA-N 378.422 4.928 0 40 GJAB COc1cccc(CN2CCC[C@H](c3nnc(-c4ccc(C)s4)o3)C2)c1OC 72390100 APPIUCMPMYRERG-INIZCTEOSA-N 399.516 4.503 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)C(O)=Nc2cccnc2O3)cc1 79492807 OMQXPILLGSQPRK-UHFFFAOYSA-N 389.411 4.863 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)N3C[C@H]4CCCC[C@@]43c3ccccc3)c12 84066708 RVRJGGSDHCZEAE-HOYKHHGWSA-N 387.483 4.950 0 40 GJAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCCSC[C@H]1CN1CCCC1 90609015 PMVFUCSSHRLUPW-HXUWFJFHSA-N 396.556 4.522 0 40 GJAB Cc1cccc(OCCc2nnc(NC(=O)c3ccccc3Cl)s2)c1C 95116409 GWCMNWBTLVMHAB-UHFFFAOYSA-N 387.892 4.682 0 40 GJAB CC(C)n1c2ccccc2c2c1cc(C(=O)N1CCCCC1)n2-c1ncccn1 96146460 RNWOLNATTGIXBL-UHFFFAOYSA-N 387.487 4.582 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2cccc(Cl)c2)C[C@H](c2ccccc2O)C1 102614728 ICWNWCRWRFXGFI-RBZFPXEDSA-N 392.846 4.702 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3C(=O)[C@@H](O)[C@@]21C 118922762 VRBYSRPMDFKSTP-KAHJQZAXSA-N 390.564 4.686 0 40 GJAB O=C(NCc1ccc(F)cc1)N1CCS[C@H](c2ccccc2Cl)CC1 208047382 DIZBCXIKCSHKPZ-SFHVURJKSA-N 378.900 4.869 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)ccc1Cl 219516122 LUYDGBZSHPIELE-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219596746 XKZFBWSUEOXWHH-WOJBJXKFSA-N 383.488 4.580 0 40 GJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Br)cc1F 223110942 GNVVGTOTHOIQBY-GFCCVEGCSA-N 392.268 4.873 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 223392119 WZFJEKAYLMRCHK-HNNXBMFYSA-N 377.937 4.968 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 224213822 WKRVNCPAKSIOFA-OSVNEOKWSA-N 388.467 4.545 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)c1 224637322 UURNTJFGCNEIQZ-FQEVSTJZSA-N 394.559 4.798 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 225851795 HJDRTVJDVIVQJA-SJORKVTESA-N 385.504 4.780 0 40 GJAB O=C1CCCN1c1cccc(NC(=S)NC2(c3cccs3)CCCC2)c1 225870640 JMTFTTXOGOPMEL-UHFFFAOYSA-N 385.558 4.631 0 40 GJAB Cc1c(CO)c2ccccc2n1C(=O)c1cc(Br)ccc1Cl 226366821 JCEFGGMUEUUVLL-UHFFFAOYSA-N 378.653 4.546 0 40 GJAB COc1ccc2ccccc2c1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260784396 WCFJTWVQURELEN-PUCZYUMASA-N 375.497 4.833 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccccc2)cc1 408698489 QDZNYYRVNDQHNA-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)Oc2ccccc2C(C)=O)cc1 409172452 ILPUQDWUIWVUJI-UHFFFAOYSA-N 376.408 4.696 0 40 GJAB CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccc(F)cc1 409347622 QKPHXEKBFMSFHB-UHFFFAOYSA-N 387.480 4.625 0 40 GJAB C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ocnc1C(F)F 626214115 BRATXWHMJZJUJM-RDTXWAMCSA-N 382.410 4.831 0 40 GJAB O=C(NC1(C(=O)O)C[C@H]2CC[C@@H](C2)C1)OCC1c2ccccc2-c2ccccc21 697708752 ZYINKVAFRODLIY-HOTGVXAUSA-N 391.467 4.559 0 40 GJAB Cc1nc(C)c(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)s1 1890240151 JRVTXGMNJWGMBY-UHFFFAOYSA-N 392.528 4.600 0 40 GJAB O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1cccc(C(F)(F)F)c1 779387 APWPKYIZKNTYSX-UHFFFAOYSA-N 377.391 4.826 0 40 GJAB CC(C)Cc1ccc(/C=C/C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 1000199 FQIUKJDZZYWXQO-ZHACJKMWSA-N 382.935 4.901 0 40 GJAB Cc1cccc(-c2nnc(SCCOc3ccc4c(C)cc(=O)oc4c3)o2)c1 2184309 VBVGKWLNEXFDDC-UHFFFAOYSA-N 394.452 4.631 0 40 GJAB COc1ccc(C(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1 3007351 HVDOFUIOMNZZNQ-UHFFFAOYSA-N 376.890 4.842 0 40 GJAB Cc1ccc(C)c(NC(=O)OCCNC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 3087649 CNAINYWIMFQXLD-XJKSGUPXSA-N 399.318 4.559 0 40 GJAB Cc1cc(C)cc(O[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)c1 3253462 GVTQQKKIBNHESD-VQTJNVASSA-N 393.936 4.625 0 40 GJAB O=C(OCc1cccc2ccccc12)C1CCN(c2nc3ccccc3o2)CC1 3339899 FCDNBFPWNQACKN-UHFFFAOYSA-N 386.451 4.941 0 40 GJAB O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)c1ccc(-c2ccccc2)cc1 3436886 RVTZLPAQGHLXRF-NTUHNPAUSA-N 386.403 4.522 0 40 GJAB Cc1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)ccc1Br 3562134 UGIHLPATWJGYOD-KRWDZBQOSA-N 390.277 4.568 0 40 GJAB CC(C)n1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4033374 FZBGTARPNFSZDI-AWEZNQCLSA-N 398.304 4.900 0 40 GJAB Cc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(C)c(C)c2)cc1 4891487 XUSIKYAMAPDSFV-UHFFFAOYSA-N 379.529 4.921 0 40 GJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cc2ccccc2oc1=O 5214348 QVOXHYDEOUJFIK-UHFFFAOYSA-N 396.855 4.746 0 40 GJAB CCOC(=O)Oc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1 5215530 AHXMWTGMESSZPG-ZHZULCJRSA-N 387.391 4.720 0 40 GJAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1ccccc1)c1ccccn1 5348335 UZPUDGUFRPVODG-UHFFFAOYSA-N 390.826 4.688 0 40 GJAB COc1cc(C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/[C@@H](O)[C@H]2C(C)C)ccc1O 5638790 OLJDCWYDXLXFJK-XWMLLJCFSA-N 388.504 4.636 0 40 GJAB O=C(CSc1ncnc2sc3c(c12)CCCC3)NCCC1=CCCCC1 6111802 ODHNVBZRAPHBOH-UHFFFAOYSA-N 387.574 4.669 0 40 GJAB COc1cc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 6270096 KLFYYGSHKKFMHI-UHFFFAOYSA-N 377.440 4.561 0 40 GJAB CCCCOc1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 6990934 ILAVFIPOLJVZMO-CQSZACIVSA-N 384.407 4.973 0 40 GJAB Cn1c(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)nnc1C1CC1 7235154 XAKLJRZCBRXCHB-UHFFFAOYSA-N 388.496 4.816 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(Cl)cc1F 7922275 XGDMXSXVKRHIHR-NSHDSACASA-N 377.872 4.720 0 40 GJAB Clc1ccc(-c2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)cc1 8186563 PGQPRHDJSVAAMH-GOSISDBHSA-N 385.920 4.918 0 40 GJAB COc1cc(NC(=O)c2cc3cc(F)ccc3s2)c(Cl)cc1C(=O)O 8193410 RKZYGYLYVJNIMH-UHFFFAOYSA-N 379.796 4.653 0 40 GJAB Brc1ccc(-c2nnc(Sc3ncnc4sccc34)o2)cc1 8199549 IHJUNKCFGJGHAQ-UHFFFAOYSA-N 391.275 4.655 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(C)c1 8336354 SANUQKPBCVTZFG-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB COc1ccc(F)cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1 10302070 IPAIUDHTTKMAOG-UHFFFAOYSA-N 389.473 4.786 0 40 GJAB CC[C@H](C)NC(=O)C1(Cc2ccccc2-c2cc(F)ccc2OC)CCOCC1 12231510 GPOSHAUTHBYJEK-KRWDZBQOSA-N 399.506 4.755 0 40 GJAB O=C(NCCCn1ccc2ccccc21)c1cc(Br)ccc1Cl 12517380 NZKJMDVZCHXXKU-UHFFFAOYSA-N 391.696 4.877 0 40 GJAB CCn1ncc2c(C(=O)Nc3ccc(F)cc3F)cc(-c3cccs3)nc21 12792706 GDHKCOPYDZOIKG-UHFFFAOYSA-N 384.411 4.710 0 40 GJAB CC(=O)c1cccc(OCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)c1 12981753 ZUBMECPAHRQNDP-QFIPXVFZSA-N 379.481 4.544 0 40 GJAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nccs3)[C@@H]2c2cccs2)cc1 14461724 HWNCVEKYSJCUMN-CRAIPNDOSA-N 397.525 4.636 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCc2csc(-c3ccccc3)n2)ccc1Cl 15832360 PQTAIYMMLRPWRB-AWEZNQCLSA-N 386.904 4.856 0 40 GJAB Cc1ccccc1NC(=O)Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S 16807167 YXMWGRQCVSSAQW-UHFFFAOYSA-N 395.532 4.522 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1ccnc1C 20460733 OQHXWKYBMLFTBF-DEOSSOPVSA-N 399.494 4.808 0 40 GJAB Cc1nc(-c2cccnc2)sc1C(=O)NCc1ccc(Cl)cc1Cl 22237483 HHQWUPYVQIKAQR-UHFFFAOYSA-N 378.284 4.750 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2nc3ccccc3n2C(F)F)c(OC)c1 23873967 LGWBXLLVLHFYRO-KRWDZBQOSA-N 387.430 4.786 0 40 GJAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1OC 24884771 CBXCQZVRPLUOGO-UHFFFAOYSA-N 385.851 4.780 0 40 GJAB COc1ccc(CC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 25055423 BYGXUKPMSZNFGP-UHFFFAOYSA-N 375.428 4.520 0 40 GJAB Cc1ccccc1OCCN(C)C(=O)c1ccccc1SCc1cscn1 30800860 JWEMIYKKCKLKST-UHFFFAOYSA-N 398.553 4.895 0 40 GJAB Cc1nccc(-c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)n1 31776682 XUJAYNXGFVQFIU-UHFFFAOYSA-N 394.283 4.560 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(C2CC2)nc2ccccc12 40050282 SCYRFYCZKBCLDS-UHFFFAOYSA-N 385.467 4.601 0 40 GJAB COc1ccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC23CCCC3)cc1 45932829 DOMSJVPJMZOKQG-UHFFFAOYSA-N 398.915 4.891 0 40 GJAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3cccc(-n4cc[nH]c4=S)c3)c2c1 48289990 MXMVDDYKILTRCP-UHFFFAOYSA-N 376.485 4.814 0 40 GJAB CC(C)(CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(Br)cc1 58968789 LSUQMJQWWHSWAQ-UHFFFAOYSA-N 390.296 4.714 0 40 GJAB CC(C)(C)c1cnc(CN(CCCn2cccn2)Cc2ncc(C(C)(C)C)o2)o1 69533338 QYOPRGMXLKEXRW-UHFFFAOYSA-N 399.539 4.547 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72349849 JAESIGQEUGYDKN-KRWDZBQOSA-N 395.503 4.596 0 40 GJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)s2)C1 77200231 NFORMYRNCWNIAV-UONOGXRCSA-N 378.881 4.691 0 40 GJAB C[C@@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCCCC1 80345445 CDIAHUNJUKBIIS-ZDUSSCGKSA-N 381.303 4.858 0 40 GJAB O=C(NCc1ccccc1N1CCCCC1)c1cccnc1SC(F)(F)F 95465934 GSHHCNJREHEDFE-UHFFFAOYSA-N 395.450 4.614 0 40 GJAB Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)c1F 95965979 BUIIBRVYWGVZDJ-UHFFFAOYSA-N 392.459 4.910 0 40 GJAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1cccc2ccccc12 96583596 KOPWLZVIRROWLE-CPNJWEJPSA-N 388.448 4.515 0 40 GJAB Cc1cc(C)cc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)c1 101092219 GQUNTVRVSRGOTE-QFBILLFUSA-N 387.277 4.836 0 40 GJAB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102703605 IZLCXQURFXKYCG-SPLOXXLWSA-N 392.409 4.930 0 40 GJAB COc1cc(CN(CCc2ccccc2)Cc2ccccc2)cc(OC)c1OC 199424902 RPMKVMXYBTVWSB-UHFFFAOYSA-N 391.511 4.957 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccco1 222599140 AEKLGYZTCBXENB-ONGXBYRLSA-N 392.528 4.731 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 222949284 RHONZNLJNCFYLU-CABCVRRESA-N 396.379 4.678 0 40 GJAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(C)cc1 224464835 MJSVOXAFJQKEGO-UHFFFAOYSA-N 389.495 4.945 0 40 GJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225799976 SQYJYESQONEVBQ-BTYIYWSLSA-N 379.497 4.574 0 40 GJAB CC(=O)N[C@]1(C)C[C@H](c2ccc(N3CCCC3)c(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257329520 XKHUSXBQDRFLJX-SPWZGRHWSA-N 388.527 4.587 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2cccc(C)c2)cc1 408696149 WTRSJYJFYMFPAT-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)C1CC(C)(C)C1)CC2 505928536 PSSGJJJCEOYGAH-QFIPXVFZSA-N 379.500 4.614 0 40 GJAB Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(NC(=O)c2ccncc2)cc1 531709003 QNGXZANLPQCHII-QFIPXVFZSA-N 387.483 4.646 0 40 GJAB Cc1cc2c(cc1-c1ccnc3nc(-c4cccnc4)nn13)[C@H](C)CC(C)(C)N2 575473084 FZAIHNZUUPHIRZ-OAHLLOKOSA-N 384.487 4.859 0 40 GJAB O=C(Cc1cscn1)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 585114294 TXYNBSAFJXBYRY-UHFFFAOYSA-N 388.880 4.685 0 40 GJAB CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)c2ocnc2C(F)F)CC1 625218714 RBRWVDPLCISCTA-UHFFFAOYSA-N 392.402 4.562 0 40 GJAB O=C(Nc1ccc(Cn2cccn2)cc1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 626330389 ZQFDGUIAJNXLTE-SFHVURJKSA-N 396.441 4.621 0 40 GJAB C[C@H](CC(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1)c1ccncc1 676987800 GJMVVKYNPQITBE-QGZVFWFLSA-N 378.447 4.866 0 40 GJAB O=C1CCCc2oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c21 844081 PYGZZOGXQVHUFZ-UHFFFAOYSA-N 391.448 4.906 0 40 GJAB CCOc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 952099 SQFXZXHICMSJRJ-ONNFQVAWSA-N 394.254 4.587 0 40 GJAB COc1cc2c(cc1OC)CC(C)(C)N(Cc1ccc(Br)cc1)C2 1251288 IKHFRPCBOLCVNU-UHFFFAOYSA-N 390.321 4.803 0 40 GJAB COc1ccccc1CNc1nc2c(-c3ccccc3)nnn2c2ccccc12 2688949 KRHAESSOLNHETQ-UHFFFAOYSA-N 381.439 4.565 0 40 GJAB O=C1CCC[C@@H]1[C@H](Nc1ccc(I)cc1)c1ccccc1 3085795 DGQNMZQQSHHYKF-FUHWJXTLSA-N 391.252 4.814 0 40 GJAB CCOc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)cc1OCC 3218043 GBEXHRKLXNCKJS-UHFFFAOYSA-N 399.487 4.711 0 40 GJAB O=C(c1ccccc1)[C@@H]1CNc2cc3c(cc2C1)C[C@H](C(=O)c1ccccc1)CN3 3844918 DGVWJRRWWSIDQW-VXKWHMMOSA-N 396.490 4.621 0 40 GJAB biogenic O=C(Cc1ccccc1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 4273315 HAGFMXFVZHJCQW-UHFFFAOYSA-N 395.434 4.745 0 40 GJAB aggregator O=Cc1cc(Br)c(OCc2ccccc2F)c(Br)c1 4739289 AYSVNOZBEZBCCX-UHFFFAOYSA-N 388.030 4.742 0 40 GJAB Cc1sc2nc(SCCN3CCCCC3)n(-c3ccccc3)c(=O)c2c1C 5006636 COQZRBMZURGOEZ-UHFFFAOYSA-N 399.585 4.642 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(=O)[nH]1 5237993 MFBLGWGSPHFVCC-ZDUSSCGKSA-N 399.903 4.518 0 40 GJAB Cc1cc(OCC(=O)NCCSCc2ccc(Cl)cc2)ccc1Cl 5245550 MBJDYFDNTPJRDC-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB Cc1cc(SCC(=O)Nc2ccnn2C2CCCC2)nc2c(C)cccc12 5581451 CBTOEGKOCCVVMW-UHFFFAOYSA-N 380.517 4.894 0 40 GJAB CC(C)(C)OC(=O)NCCc1cccc2c1oc1c(CCC(=O)O)cccc12 5714208 KLZXPQBAAPCKCE-UHFFFAOYSA-N 383.444 4.670 0 40 GJAB Cc1c(Cl)cnc(NC(=O)COC(=O)/C=C/c2ccccc2Cl)c1Cl 6604741 WWMQYVYWUUOWGT-VOTSOKGWSA-N 399.661 4.545 0 40 GJAB CCc1ccc2occ(CC(=O)Nc3sc4c(c3C(=O)OC)CCCC4)c2c1 6809820 SWERLJAVHGFNQI-UHFFFAOYSA-N 397.496 4.903 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccc(Cl)c1)Cc1ccco1 6810702 KVYXVZIUJSAWLY-UHFFFAOYSA-N 393.826 4.882 0 40 GJAB Cc1nnc(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)s1 6847039 VWNSKTPHDGSPIK-INIZCTEOSA-N 399.566 4.819 0 40 GJAB CCc1nnc(S/C(=C\c2c3ccccc3cc3ccccc23)C(=O)O)[nH]1 7342468 ATLCTBDZKWSOFK-PDGQHHTCSA-N 375.453 4.891 0 40 GJAB CC1(C)N=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2N1 8023544 RATXTIULJPLPJU-UHFFFAOYSA-N 393.434 4.986 0 40 GJAB COc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc(OC)c1OC 8110126 OFHRWFXRXGUJHM-CPNJWEJPSA-N 387.435 4.931 0 40 GJAB Cc1cnc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)s1 8183610 QTZQVXRYFMEPND-UHFFFAOYSA-N 380.498 4.677 0 40 GJAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1CSc1ncn[nH]1 8315722 TVINAPKNTCFQQW-SFHVURJKSA-N 398.919 4.632 0 40 GJAB CCN(CC)Cc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9062726 QZJSXCUBEJSSGM-UHFFFAOYSA-N 397.538 4.518 0 40 GJAB Cc1nn(C)c2sc(C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)cc12 9900784 NCCYEFYAHKMWLG-QGZVFWFLSA-N 385.489 4.663 0 40 GJAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(OCc2ccccc2)cc1 10744526 PXHLENHFILCLGV-UHFFFAOYSA-N 375.424 4.566 0 40 GJAB Clc1ccc(-c2cc(-c3nn4c(-c5ccccc5)nnc4s3)n[nH]2)cc1 12321511 FZZUOILNRPUXDV-UHFFFAOYSA-N 378.848 4.563 0 40 GJAB CCOCCn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cc(Cl)ccc21 12378500 FWUZYRPEQQTRLS-VPRJXVDDSA-N 386.904 4.533 0 40 GJAB Cc1cc(NC(=O)[C@@H](Nc2ccc(N3CCCC3)c(C)c2)c2ccccc2)no1 12507167 GGXSIJRIMJQCHZ-QFIPXVFZSA-N 390.487 4.684 0 40 GJAB CCn1c(C)nc2cc(-c3nnc(-c4ccc(OC(C)C)c(OC)c4)o3)ccc21 12595627 NXNKLUKYQPKLCQ-UHFFFAOYSA-N 392.459 4.877 0 40 GJAB CC(C)n1ncc2cc(C(=O)N[C@@H](c3ccccc3)c3cccs3)cnc21 12774272 YYJQXBHWBABHEX-IBGZPJMESA-N 376.485 4.593 0 40 GJAB COc1ccc([C@H](NC(=O)Cc2csc(-c3cccs3)n2)C(C)C)cc1 12891798 KBJBFYQHIWTNBJ-LJQANCHMSA-N 386.542 4.936 0 40 GJAB Cn1c(-c2ccccc2F)nn(CN(Cc2ccccc2F)C2CC2)c1=S 12921631 WEBHCUSCPQEWEX-UHFFFAOYSA-N 386.471 4.518 0 40 GJAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cc(C3CC3)nc3ccccc23)C1 12935015 XYSLWWRXOSDZTM-SFHVURJKSA-N 399.494 4.603 0 40 GJAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21 13695271 XEDNQSUXMXRMFW-UHFFFAOYSA-N 380.532 4.777 0 40 GJAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 14428993 QKLJODCXZMDOEO-SFHVURJKSA-N 392.886 4.984 0 40 GJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl 16751744 NSGPJLBKKRUUII-UHFFFAOYSA-N 381.259 4.993 0 40 GJAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1ccccc1C)Cc1ccccc1O2 19237271 XZBIZVXQMVMLGJ-UHFFFAOYSA-N 392.543 4.549 0 40 GJAB Cc1ncc(CN2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)s1 19693478 JCVJBGYWBQXFJZ-HXUWFJFHSA-N 385.920 4.740 0 40 GJAB Cc1cccc(Nc2nc(NCc3ccccc3Cl)nc3c2cnn3C)c1 20935147 XZBMJLHBKFLXPX-UHFFFAOYSA-N 378.867 4.681 0 40 GJAB Cc1cc(C)c2c(n1)sc1c(SCC(=O)Nc3ccccc3)ncnc12 32093341 PZCCMPYVXXECOF-UHFFFAOYSA-N 380.498 4.587 0 40 GJAB Cc1ccc(OC[C@@H](O)CN(Cc2ccc(Cl)cc2)Cc2ccco2)cc1 32593453 XTHUJIDPYXCETD-FQEVSTJZSA-N 385.891 4.684 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccc(-n4cccc4)cc3)c12 36613727 GQHNDLCIAGGWSO-AWEZNQCLSA-N 386.455 4.690 0 40 GJAB C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C(C)(C)C)cc1 38753333 IEGGLFNSCSRVSC-KRWDZBQOSA-N 378.516 4.598 0 40 GJAB O=C(NCCc1ccccc1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832943 SQGPXVKEJMKTQG-QGZVFWFLSA-N 391.342 4.564 0 40 GJAB Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2cc(Cl)ccc21 44050393 HATDTYKYKUFSAK-UHFFFAOYSA-N 399.825 4.976 0 40 GJAB Cc1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(Cl)c1 47326858 OAZSMYRNFYQMET-UHFFFAOYSA-N 375.875 4.574 0 40 GJAB CN(C)CCCN(C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 66331689 FMTFZYKYVZBISL-BRXSOUEKSA-N 388.640 4.562 0 40 GJAB biogenic CC[C@H](C)N(Cc1ccccc1)C(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 69446314 INPGPZKXLXYTPJ-OALUTQOASA-N 398.572 4.883 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349853 XPXFMUQIEGQEKQ-QGZVFWFLSA-N 395.503 4.596 0 40 GJAB O=C(c1ccccn1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357849 XHIKBUJPNVKIBG-NRFANRHFSA-N 377.875 4.698 0 40 GJAB Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)CCCc1ncc(-c2ccccc2)o1 79001223 SZVBFFPSLDJWCV-KRWDZBQOSA-N 376.456 4.787 0 40 GJAB FC(F)Oc1ccc2c(c1)CCC[C@@H]2NCc1cc(Cl)c2c(c1)OCCO2 84490033 XVGAPYKHNJAPTG-KRWDZBQOSA-N 395.833 4.880 0 40 GJAB Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)[C@]1(C)CC1(Cl)Cl 84673290 BIOXONBFNPPHQH-AWEZNQCLSA-N 390.723 4.747 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 95482959 ZSQMNTJOBANTQJ-OAHLLOKOSA-N 392.421 4.562 0 40 GJAB CC(C)c1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 98211367 HZXAFJUTVMOBKW-UHFFFAOYSA-N 386.455 4.967 0 40 GJAB Cc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(O)C[C@H](c3ccco3)CC1=N2 102576650 FUQFLKLFXAOLKL-YJYMSZOUSA-N 380.835 4.898 0 40 GJAB O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)N1CCC(c2ccn[nH]2)CC1 174157540 JPQUCYZJLSSKEK-UHFFFAOYSA-N 397.866 4.662 0 40 GJAB CC(C)C(NC(=O)COc1ccc(C(C)(C)C)cc1Br)C(C)C 218879975 UPUHDRBAKOHHGX-UHFFFAOYSA-N 384.358 4.922 0 40 GJAB Cc1cc(OCC(=O)NCc2cccc3ccccc23)ccc1Br 222862984 FKLDLUBQVOQUIA-UHFFFAOYSA-N 384.273 4.606 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224675416 JSWKSOBBHOYICK-UHFFFAOYSA-N 394.559 4.665 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)c(C)c1 225073637 LGAQBKRTDLIIKW-UHFFFAOYSA-N 396.668 4.840 0 40 GJAB CN1CCC(Oc2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2)CC1 225465813 SSOXCKNSIAZOHX-UHFFFAOYSA-N 375.925 4.622 0 40 GJAB O=C1CCCN1c1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1 225865407 MNVVDENEPMHDDJ-UHFFFAOYSA-N 385.558 4.631 0 40 GJAB CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Br)nc2c1 226344090 NDSDPCXCMYDTTC-UHFFFAOYSA-N 379.641 4.823 0 40 GJAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)c3cccc(F)c3)CC2)c1 257253399 JYTXQVJMQMDYFY-UHFFFAOYSA-N 379.435 4.512 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)n1 257313136 UREAATKBHOQDEN-QGZVFWFLSA-N 395.890 4.642 0 40 GJAB CCn1c(SCc2ccc(I)cc2)nc2ccccc21 408692733 TZQYJHWDXJIBHB-UHFFFAOYSA-N 394.281 4.953 0 40 GJAB CCOC(=O)c1sc(/C=C/c2ccc(OCc3ccncc3)cc2)nc1C 508599336 QTOBKVSQZKNCNC-RMKNXTFCSA-N 380.469 4.773 0 40 GJAB C[C@@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2ccncc2)cc1 539069819 ZQPJDICUCAMSGP-IIBYNOLFSA-N 391.902 4.858 0 40 GJAB Cc1ccc(NC(=O)[C@H](c2ccccn2)C(C)C)cc1OCC1CCOCC1 585084933 PKDWMRMKNYVXDJ-QFIPXVFZSA-N 382.504 4.574 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)c2cc(F)ccc2F)CN1c1cccc(F)c1 1615160340 ZGDBUNZLKNMTRZ-JOCHJYFZSA-N 388.433 4.768 0 40 GJAB CCOc1ccc2[nH]c(=O)c(-c3nc4c(C)cccn4c3NC(C)(C)C)cc2c1 1376125 VDUBSMCJZUPFQK-UHFFFAOYSA-N 390.487 4.760 0 40 GJAB CCOC(=O)c1c(C)nn2c1N[C@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F 2279189 WQNJTZOQAWCSIM-STQMWFEESA-N 387.789 4.682 0 40 GJAB Cc1cc(I)ccc1NC(=O)c1ccc(F)cc1Cl 2650599 MGNNWAAWFKQOJR-UHFFFAOYSA-N 389.595 4.644 0 40 GJAB CCc1c(C)sc2ncn3nc(-c4cc(Br)cs4)nc3c12 2809508 VHXMVEVRAYBXFA-UHFFFAOYSA-N 379.308 4.701 0 40 GJAB CSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)n1-c1ccccc1 4050206 XSLZKGBHZVMAKV-UHFFFAOYSA-N 398.495 4.633 0 40 GJAB O=C(COc1ccccc1Cl)Nc1cccc(NC(=O)c2cccs2)c1 4487824 VIFLZGIXOTVKDX-UHFFFAOYSA-N 386.860 4.671 0 40 GJAB CC1CCN(CCCNC(=O)c2cc3sccc3n2Cc2ccccc2)CC1 4971039 DICHVJSSWOMONE-UHFFFAOYSA-N 395.572 4.603 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 5024224 XCDXKNDGAJAXEA-NBMJBFSESA-N 387.401 4.888 0 40 GJAB COc1ccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)cc1 5085882 OGWMBDINONWMJQ-UHFFFAOYSA-N 398.491 4.979 0 40 GJAB O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)NCC1CCCCC1 5753710 BJARGZLMDGYDOC-JOCHJYFZSA-N 397.540 4.760 0 40 GJAB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3F)cc1)S[C@@H](C)C(=O)N2 6678711 HXLMOJZPMMKMDJ-ORAYPTAESA-N 397.475 4.599 0 40 GJAB O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 6864951 HPOKNSFUBHUORQ-UHFFFAOYSA-N 383.451 4.950 0 40 GJAB O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccccc1Cl 7573231 DLUKHMMSLMNCIM-UHFFFAOYSA-N 378.863 4.650 0 40 GJAB O=S(=O)(c1ccccc1Cl)N(Cc1cccs1)Cc1cccs1 7689004 CWKONHLAGTZJLT-UHFFFAOYSA-N 383.947 4.854 0 40 GJAB Cc1ccc(-c2noc(CN3CCC[C@H]3c3ccc4c(c3)OCCCO4)n2)cc1 8328363 JELWOURIVDRFRL-IBGZPJMESA-N 391.471 4.543 0 40 GJAB COc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)cc1 9272452 IZMZABSWYAPPPY-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB CCOc1ccc([C@H]2CCCN2C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1 9479238 GUDPQFQQXLGCQV-LJQANCHMSA-N 394.515 4.854 0 40 GJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCc2sccc2C1 10767710 PYJQDYNLZCFFLO-JTQLQIEISA-N 388.842 4.806 0 40 GJAB COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCc1ccc(F)cc1 12371673 PJEZJABFFCXOII-MRXNPFEDSA-N 383.444 4.949 0 40 GJAB CC(C)COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1 12507712 DZMCLQCQZSTHOF-FQEVSTJZSA-N 397.906 4.628 0 40 GJAB COc1ccccc1-c1nn(Cc2ccccc2)cc1CN[C@@H](C)c1cccnc1 12536492 BFEYQDATKIPYMW-IBGZPJMESA-N 398.510 4.853 0 40 GJAB CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CNC(C)(C)C)cc1 12771167 RELGHYMLNYWLCK-UHFFFAOYSA-N 376.884 4.858 0 40 GJAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2Cl)cs1 12852300 FPUPNZVQHSXCDX-UHFFFAOYSA-N 390.917 4.523 0 40 GJAB O=C(c1cccc(OC(F)F)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 12882430 CSGPCCCYOIAJNI-AWEZNQCLSA-N 388.439 4.918 0 40 GJAB Cc1ccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1C(F)(F)F 12892871 GBOHIQAPCGUDBH-GOSISDBHSA-N 392.402 4.581 0 40 GJAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(-c2ccc(Cl)cc2)o1 12911367 DPHYLDAXBMEWAX-UHFFFAOYSA-N 382.847 4.531 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)c(OC)c1 12972095 MAJUBNSBHXQYDF-KRWDZBQOSA-N 379.378 4.700 0 40 GJAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3CCCC[C@@H]3C)s2)cc1 13135173 IFLFFNSXVHENLI-AWEZNQCLSA-N 390.578 4.898 0 40 GJAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccnc1N1CCCC1 14227822 GMSZMZDZWNLBTO-UHFFFAOYSA-N 381.863 4.525 0 40 GJAB CC(=O)Nc1ccc(CN(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)cc1 19216516 AJLXRWINPJPNEL-UHFFFAOYSA-N 397.563 4.858 0 40 GJAB Cc1ccc(NC(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)c(-c2cc(C)n[nH]2)c1 19716143 UVRVWXKQYKUBKA-HNNXBMFYSA-N 391.519 4.820 0 40 GJAB Cc1cc(C)n(-c2ccc(NC(=O)c3cc(-c4cccc(F)c4)no3)cc2)n1 19718144 BCODLPCWJZZFFZ-UHFFFAOYSA-N 376.391 4.536 0 40 GJAB COc1ccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1OC 22245894 ZWYYHUAGTRREKK-UHFFFAOYSA-N 387.436 4.604 0 40 GJAB O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1ccc(Cl)cc1 22458481 DBSIVBYCHXJYRV-UHFFFAOYSA-N 376.803 4.704 0 40 GJAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1ccccc1N1CCCCC1 22931873 CZQGCEALMOMQSD-DEOSSOPVSA-N 392.591 4.558 0 40 GJAB COc1cccc(-c2csc(N3CCN(Cc4cc(C)ccc4C)CC3)n2)c1 26416610 QKUZXGGBNCJMAI-UHFFFAOYSA-N 393.556 4.758 0 40 GJAB Brc1cc(C2CCCCC2)ccc1OCCCN1CCOCC1 31911910 PLLFKUXRGBFEOH-UHFFFAOYSA-N 382.342 4.598 0 40 GJAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 32718937 DQJLQUILTULJFL-MRXNPFEDSA-N 383.831 4.512 0 40 GJAB C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cncn2)cc1 32738420 FZBDMVJHEIHDDI-MRXNPFEDSA-N 394.906 4.610 0 40 GJAB O=C(Nc1ccc(F)cc1F)N1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 35291762 GIQKTTJSTSEHCG-UHFFFAOYSA-N 390.821 4.906 0 40 GJAB COc1ccc(Nc2c(-c3ccccc3O)nc3cc(C)ccn23)cc1OC 35616471 KXUXVBJLMBEMGK-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2cccc(Br)c2)cc1OC 36396154 MOIGCLVVXOISNC-QGZVFWFLSA-N 376.294 4.803 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2cccc(Cl)c2Cl)c1C 39440822 STXOFSZRCBUQCB-GFCCVEGCSA-N 381.303 4.844 0 40 GJAB COc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1Cl 39761192 XDWKGRJHTXUYLV-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB Cc1cccc(CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 39761963 XLAYLMPJPXZGDR-UHFFFAOYSA-N 384.951 4.609 0 40 GJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(C3CC3)[C@@H](C)C3CC3)c12 46056213 OJFMEERBRBRAAU-ZDUSSCGKSA-N 379.435 4.740 0 40 GJAB CN(Cc1cc(Br)cs1)C(=O)c1cc(C2CC2)nn1C(C)(C)C 48327982 NILLRRANWASJTM-UHFFFAOYSA-N 396.354 4.612 0 40 GJAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)c(Cl)c1 49005527 MZXBJVVWAAGMJK-UHFFFAOYSA-N 398.894 4.826 0 40 GJAB Cc1ccc(-c2noc(-c3ccc(=O)n(Cc4ccc(Cl)cc4)c3)n2)cc1 49007367 CYCHBTZUQMMUSR-UHFFFAOYSA-N 377.831 4.575 0 40 GJAB CCOc1cc2nccc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OCC 54202442 BUEYVAWGJRYUHI-UHFFFAOYSA-N 398.459 4.802 0 40 GJAB biogenic O=C(Nc1ncccc1OCC1CCCCC1)c1cnc(-c2ccccc2)nc1 58166614 UBWOCUYJUOAGBM-UHFFFAOYSA-N 388.471 4.750 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(N3CCc4sccc4C3)cc2)c1 58429604 VCIDKEDMILPEED-UHFFFAOYSA-N 378.497 4.637 0 40 GJAB Cc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cn1 65491264 ITWMFQOFWXTABQ-NRFANRHFSA-N 395.300 4.601 0 40 GJAB O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccccc1Br 71283253 DSJMYHHCIMAFJF-UHFFFAOYSA-N 393.244 4.640 0 40 GJAB CCOc1ccccc1[C@@H](CC(C)C)Nc1ccc2nnc(C(F)(F)F)n2n1 72307341 OVPGMBLGOAMMBV-CQSZACIVSA-N 393.413 4.741 0 40 GJAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414293 QGFNJSJSFDSUFH-UHFFFAOYSA-N 384.501 4.732 0 40 GJAB C[C@H](NC(=O)CN(C)c1nc2c(C(F)(F)F)cccc2s1)c1ccccc1 77196799 LQSYFBSBHZQFHX-LBPRGKRZSA-N 393.434 4.629 0 40 GJAB CN(C(=O)COc1cccc(C(F)(F)F)c1)[C@@H](Cc1ccccn1)C(C)(C)C 78963748 NBCCLQVYGBAPTH-SFHVURJKSA-N 394.437 4.595 0 40 GJAB COc1ccc2c(c1)c(C(=O)Nc1cc(OC)c(OC)c(OC)c1)cn2C(C)C 95475112 GEGSKBMGYZRWJF-UHFFFAOYSA-N 398.459 4.509 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C 95945974 MRSSCPCWXXTGNX-QVKFZJNVSA-N 382.479 4.636 0 40 GJAB C[C@](O)(CNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1cccs1 96012437 ALXGQEZZDRYRBJ-SFHVURJKSA-N 393.917 4.783 0 40 GJAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1Oc1ccccc1 102151605 TYBOOHRLZNHHRC-OKZBNKHCSA-N 379.456 4.787 0 40 GJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1 223408489 AWIQPHNEARYMTO-VQTJNVASSA-N 395.553 4.633 0 40 GJAB CCCOCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC 224419830 JLVVJKKKLAXZGE-UHFFFAOYSA-N 393.867 4.545 0 40 GJAB O=C(NCc1cccc(CN2CCCC2)c1)/C(=C/c1ccco1)c1ccccc1 224591937 DKXCYGSNICDFCC-JJIBRWJFSA-N 386.495 4.732 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224713769 YLKXCTKXGMYTGL-HNNXBMFYSA-N 387.892 4.963 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 225526539 JLKGKSYDWQXJPG-NZQKXSOJSA-N 394.559 4.568 0 40 GJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225688781 BYKHCSXHBFITSH-AUSIDOKSSA-N 390.568 4.577 0 40 GJAB CCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1C(=O)OCC 225830577 HSGMRORIVSVTCH-UHFFFAOYSA-N 391.508 4.720 0 40 GJAB O=C(O)c1ccccc1CN1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 618016962 YEXKCXMTQZWMLE-OAQYLSRUSA-N 376.456 4.691 0 40 GJAB Cc1nc(NC(=O)N(C)CC2=CCCOC2)sc1Cc1cccc(Cl)c1 667204835 CRHJJISPHJMAKN-UHFFFAOYSA-N 391.924 4.506 0 40 GJAB COc1cccc(-c2ccc(C(=O)NCc3cncc(-c4cccnc4)c3)cc2)c1 670440781 ONXLTJWEIRTMHE-UHFFFAOYSA-N 395.462 4.749 0 40 GJAB C[C@@H](CNC(=O)c1cc(NCc2ccccc2)nc2ccccc12)c1ccncc1 674266498 LTOGGFSLYOWDGF-SFHVURJKSA-N 396.494 4.775 0 40 GJAB Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1F 1165789282 LRKKWMVJTUHEPO-UHFFFAOYSA-N 380.448 4.721 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3Cl)s2)cc1 828634 UTTBQASOTGKTGV-UHFFFAOYSA-N 394.283 4.838 0 40 GJAB Cc1cc(C)c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(C)cc2c1 881276 BDECHVIVLBCRAE-UHFFFAOYSA-N 394.496 4.662 0 40 GJAB CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@H](C(C)C)OC3 1247076 KYAXNHQAMJTLPU-OAHLLOKOSA-N 386.542 4.575 0 40 GJAB Cc1csc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)n1 1357924 ZFBXYYGWAACDKS-UHFFFAOYSA-N 390.559 4.681 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 1363752 MPZICWVNBHGIPO-QGZVFWFLSA-N 381.863 4.718 0 40 GJAB Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 1377616 ZNKVDBASFUVEAO-VXKWHMMOSA-N 379.573 4.867 0 40 GJAB O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(Br)cc1 1444760 HGUVMOLWAPUDKG-XCVCLJGOSA-N 381.067 4.864 0 40 GJAB biogenic COc1cccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)c1 1448029 YNIKJNNWQMMNPO-UHFFFAOYSA-N 394.404 4.875 0 40 GJAB biogenic CC[C@]1(C)Cc2ccccc2-c2c1c(=O)n1c(SC(C)C)nnc1n2C(C)C 2256728 NPJSLDPOOQKPMH-JOCHJYFZSA-N 396.560 4.863 0 40 GJAB Oc1cccc(-c2nc(S)c3c(n2)Oc2ccc(Br)cc2C3)c1 2693347 CRXRAFGQOBLBQV-UHFFFAOYSA-N 387.258 4.597 0 40 GJAB CCOc1ccc2oc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(C)c2c1 3309996 IPZKVYQEGZGWLA-UHFFFAOYSA-N 392.499 4.534 0 40 GJAB CC(C)CCNC(=O)C(=Cc1cccc(Cl)c1Cl)C(=O)NCCC(C)C 3320430 QDFINSIYVCUHDR-UHFFFAOYSA-N 399.362 4.701 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NCc1ccccn1)c1ccccc1 3454274 QZXFOEPQIQJWOQ-IBGZPJMESA-N 385.389 4.570 0 40 GJAB O=C(NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccc(F)c(F)c1 4315792 RAIXPRXQJFKCTO-UHFFFAOYSA-N 393.846 4.530 0 40 GJAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3cccc(Cl)c3)sc2c1 4359516 JWLIAORGEOOOHO-UHFFFAOYSA-N 387.936 4.857 0 40 GJAB O=C(NCCCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccco1 4386834 LKQCGICAJXGCAQ-UHFFFAOYSA-N 393.874 4.694 0 40 GJAB CCCCCCC1=NN(C(=O)c2ccccc2Cl)[C@](O)(C(F)(F)F)C1 4599016 VXPNMJSOHRRZDF-MRXNPFEDSA-N 376.806 4.763 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 4889901 FDZCUZPSTGNYEG-HNNXBMFYSA-N 385.826 4.549 0 40 GJAB CCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)c1 4973345 YOYKAEOVIDPJKL-UHFFFAOYSA-N 389.411 4.549 0 40 GJAB CC(C)[C@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCCO2 5453074 KWGAPHOMSCHXCQ-IBGZPJMESA-N 391.414 4.576 0 40 GJAB CCOC(=O)c1c(NC(=O)NC2CCCCC2)sc2c1CC[C@@H](CC)C2 5476682 IYDMZRTWGICEML-CYBMUJFWSA-N 378.538 4.894 0 40 GJAB CCOc1cc(C)ccc1OCc1nnc(SCc2ccc(C)cc2)n1C 6155543 VWIUWWUQGYVUKC-UHFFFAOYSA-N 383.517 4.702 0 40 GJAB CCc1ccc(OCC(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1 6356262 PIAQUEDLJSHAOG-UHFFFAOYSA-N 376.865 4.538 0 40 GJAB CCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2)Cc2ccco2)n1 6810494 FFKLLTTYYGDUJM-UHFFFAOYSA-N 387.892 4.678 0 40 GJAB aggregator CC(C)c1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1 7616037 ZRNQTWNGRBVQNF-UHFFFAOYSA-N 397.478 4.826 0 40 GJAB CCCC[C@H](C)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O 7660714 NHGHITVUZOKEHC-DZGCQCFKSA-N 385.895 4.808 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882017 YJNYXCBETAGFQZ-LLVKDONJSA-N 397.689 4.947 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(C2CC2)nn1-c1ccccc1 7986105 RZUOFJVKWRSDGH-UHFFFAOYSA-N 387.468 4.521 0 40 GJAB O=C(CN(C1=NCCCC1)c1ccc(Br)cc1)c1ccc(F)cc1 8418599 GZJWMRBSOVRVSM-UHFFFAOYSA-N 389.268 4.860 0 40 GJAB C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccc(C(F)(F)F)cc1 8746335 ZGCHPJSOIONPRG-NSHDSACASA-N 379.407 4.711 0 40 GJAB CC(C)c1ccc(CCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 9062713 ZIYRANGMPOXXAE-UHFFFAOYSA-N 382.523 4.520 0 40 GJAB CC(C)Oc1cccc(CCCNS(=O)(=O)c2ccc3ccccc3c2)c1 10543272 RFHWARWUKYMACH-UHFFFAOYSA-N 383.513 4.538 0 40 GJAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1cccc(-n2cccc2)c1 12563323 KTVGHKNJNBOWRU-UHFFFAOYSA-N 376.847 4.628 0 40 GJAB O=C(COc1ccc(Cl)cc1C(=O)O)Nc1ccc(Oc2ccccc2)cc1 13083546 RYTZCGLUMPZOLC-UHFFFAOYSA-N 397.814 4.848 0 40 GJAB Cc1ccc(C2=NN(C(=O)CN[C@H](C)c3cccs3)[C@@H](c3ccco3)C2)cc1 14125512 GPHQCXIJNZUBEM-VQIMIIECSA-N 393.512 4.678 0 40 GJAB O=C(Cc1cccc(F)c1)Nc1ccnn1Cc1cccc(Cl)c1Cl 14197113 SKIHFKUMVGWYKE-UHFFFAOYSA-N 378.234 4.559 0 40 GJAB Cc1ccccc1-c1noc(CN(C)Cc2ccc(Br)s2)n1 15371840 GPQHLVCJMNHNOF-UHFFFAOYSA-N 378.295 4.501 0 40 GJAB COc1ccccc1-c1noc(CCCC(=O)Nc2cccc(Cl)c2C)n1 19816334 NFJONSZIQYHSPT-UHFFFAOYSA-N 385.851 4.668 0 40 GJAB COC(=O)c1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)c(F)cc1F 24865517 BLWYWIGVXAAKQR-UHFFFAOYSA-N 391.317 4.616 0 40 GJAB O[C@H](CNc1nc(-c2ccsc2)nc2ccccc12)c1ccc(F)c(F)c1 29588608 LPRKFVJBFRPOQV-GOSISDBHSA-N 383.423 4.782 0 40 GJAB O=C(NCCSCc1ccc(Br)s1)C1(c2ccccc2)CC1 30513155 FOTKMFDUIUOEIJ-UHFFFAOYSA-N 396.375 4.592 0 40 GJAB CC(C)Oc1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1 30848359 UFRHOUKDDUNWAB-UHFFFAOYSA-N 381.900 4.816 0 40 GJAB O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1cc(-c2ccccc2)on1 32594082 VRZGODRTWAWLHE-UHFFFAOYSA-N 386.411 4.523 0 40 GJAB O=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1cccc(Oc2ccccc2)c1 32647682 AXFVJAOZRBXYDZ-UHFFFAOYSA-N 388.402 4.510 0 40 GJAB CCN(c1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1)C(C)C 32777945 HPOFGJRAOSKKJX-UHFFFAOYSA-N 384.568 4.962 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(OC)c1 32820697 BVJVWSBEZQGSBT-QGZVFWFLSA-N 380.271 4.988 0 40 GJAB CC(C)(C)[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 32935946 IGOMOKLNPXUBMS-JOCHJYFZSA-N 379.548 4.738 0 40 GJAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)c1 33707591 RUPBHVXXTWDORE-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCN(Cc1cccc(NC(=O)CCCc2ccccc2)c1)C(=O)C(F)(F)F 40133730 NPGIZJNXTMETJK-UHFFFAOYSA-N 392.421 4.559 0 40 GJAB O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCCC2 45932918 QBHKVSJDFJPGEG-UHFFFAOYSA-N 384.451 4.898 0 40 GJAB c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)cc1 49155474 SPCRPRGWDPBOQZ-NRFANRHFSA-N 383.455 4.531 0 40 GJAB biogenic,in-vitro Cc1nc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)oc1C 63414705 VCASBPCLSLNHEF-UHFFFAOYSA-N 394.041 4.701 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@H](C)n1c(-c2cccs2)n[nH]c1=S 64334354 BXZJPIKAMOKUFX-JTQLQIEISA-N 378.910 4.831 0 40 GJAB COc1ccc(-c2n[nH]c(S[C@@H](C)c3c(F)cccc3F)n2)c(OC)c1 66006181 QPPXPFHSFICRPC-JTQLQIEISA-N 377.416 4.620 0 40 GJAB CCc1nc(CCNC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cs1 72083186 BZFFNMPNKVVNNZ-FQEVSTJZSA-N 379.529 4.531 0 40 GJAB CC(C)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)cc1 72330844 HMQRHDBGBUMMFK-UHFFFAOYSA-N 396.270 4.678 0 40 GJAB Cc1nc2scc(C3CC3)n2c1CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 89547637 BZPGHQXRIYBJAK-CYBMUJFWSA-N 394.544 4.781 0 40 GJAB CO[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(C)s1 96104736 XLFCGDXUKODPKV-LJQANCHMSA-N 379.481 4.798 0 40 GJAB O=C(NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1)C1CCCCC1 100738775 GDAQCOMLNVUQLU-IZAXUBKRSA-N 378.520 4.509 0 40 GJAB CC(C(=O)c1ccc(Br)cc1)C(=O)c1ccc(Br)cc1 100780632 AISJKXRMQCNKDF-UHFFFAOYSA-N 396.078 4.913 0 40 GJAB CC(C)c1ccc(CCCNC(=O)COc2ccc(Br)cc2)cc1 218820494 CELWSBTZJOGUID-UHFFFAOYSA-N 390.321 4.700 0 40 GJAB COc1ccc2cc(C(=O)N3CCS[C@@H](c4ccccc4C)CC3)[nH]c2c1 219287467 BRHCKNGXPHUAAN-OAQYLSRUSA-N 380.513 4.805 0 40 GJAB COc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c2ccccc12 222569294 INABBNDUOORNBW-DLPLYFIVSA-N 375.497 4.833 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 222975829 PATSPJHZJQJVJJ-SFTDATJTSA-N 394.519 4.784 0 40 GJAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cccc(C)c1 224117809 NGBCIBMDTGIFSI-UHFFFAOYSA-N 379.431 4.652 0 40 GJAB CCCCOCc1cc(C(=O)Nc2cc(OC)ccc2OC)ccc1OCC 224728444 ZHXFZKLWENMMJG-UHFFFAOYSA-N 387.476 4.672 0 40 GJAB CCOc1ccc(NC(=O)CCc2ncc(-c3ccc(OCC)cc3)o2)cc1 224858966 DFCYPFCZKOPORU-UHFFFAOYSA-N 380.444 4.710 0 40 GJAB COc1ccc(CCCNC(=O)CCc2c(Cl)cccc2Cl)cc1OC 225360126 KPONDLKQNBBDQQ-UHFFFAOYSA-N 396.314 4.692 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 225585661 MHOKOLUJOMYWQL-NFBKMPQASA-N 394.559 4.568 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCCCSC2CCCCC2)c(C)c1 225591399 HKZSDPVGSXTOMS-UHFFFAOYSA-N 394.606 4.914 0 40 GJAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)N(Cc1ccccc1)Cc1ccccc1 225746047 MTYWNLLRHOVTRN-UHFFFAOYSA-N 396.490 4.539 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(C)c1 225801694 HBZFSMYQYWEULK-ZDUSSCGKSA-N 387.892 4.881 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 225806756 DLALZMNPXNYFBI-UHFFFAOYSA-N 384.545 4.824 0 40 GJAB O=C(c1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1)N1CCCCC1 225871118 SSDFUOHSZMIMJD-UHFFFAOYSA-N 397.544 4.662 0 40 GJAB Nc1nnc(-c2ccc(OCc3cccc4ccccc34)c(Br)c2)o1 226325548 ARYYQIYPYAYUGD-UHFFFAOYSA-N 396.244 4.814 0 40 GJAB COC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253498529 FMACOWSJEUFNHK-NZSUKANWSA-N 388.548 4.545 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OC 409129169 KIXSJATXYRPORB-LDADJPATSA-N 375.490 4.711 0 40 GJAB FC(F)(F)c1cccc([C@@H](NCc2nc(-c3ccncc3)no2)C2CCC2)c1 585081385 TULMOAMMDXJPEB-SFHVURJKSA-N 388.393 4.781 0 40 GJAB COc1cccc(C(=O)COC(=O)c2cc(C)nc3c(C)c(Cl)ccc23)c1 993377 IPPPIZDPZYGJOO-UHFFFAOYSA-N 383.831 4.553 0 40 GJAB Cc1cc2c(c(SCc3ccc(F)c(F)c3)n1)C(=O)N(c1ccccc1)C2=O 1405566 NTQURTPHAXCKCN-UHFFFAOYSA-N 396.418 4.761 0 40 GJAB CC(C)c1nc2oc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2 2438686 GKGWJIPZHOKHMK-UHFFFAOYSA-N 392.459 4.951 0 40 GJAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cc(Br)ccc3O)c2C1 2465869 OTDALBYFKSTJJA-JTQLQIEISA-N 393.281 4.546 0 40 GJAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(SC(F)F)cc2)C(C)C)cc1 2657469 CQZPJPOGLNTESY-KRWDZBQOSA-N 392.471 4.703 0 40 GJAB Cc1ccc(NC(=O)[C@H](Sc2nncs2)c2ccccc2)cc1Cl 3389396 LRXXRLYFERSDQA-OAHLLOKOSA-N 375.906 4.972 0 40 GJAB COc1ccc(C)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 3432829 QINCRHODZSMDLU-HXUWFJFHSA-N 388.467 4.504 0 40 GJAB C[C@@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc2ccccc2c(=O)[nH]1 4288241 IPUDTGWAKHZSJB-MRVPVSSYSA-N 397.645 4.801 0 40 GJAB CCCN1C(=O)[C@](O)(CC(=O)c2c(C)cc(C(C)(C)C)cc2C)c2ccccc21 4784401 HFSHURWTHQIGGY-VWLOTQADSA-N 393.527 4.818 0 40 GJAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1 4881317 MFOWNGCBSOYWEJ-NSHDSACASA-N 382.382 4.977 0 40 GJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccc(F)c3)c(Cl)c12 4941132 JCUBRVQZTRHYEW-UHFFFAOYSA-N 380.810 4.774 0 40 GJAB C[C@H]1CCCC[C@@H]1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 5053568 COGHPZMQUJHMAS-SCLWLPJFSA-N 375.944 4.813 0 40 GJAB C[C@H](NC(=O)COC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1Cl 5397020 CTEWYVJYDKDZFZ-HNNXBMFYSA-N 398.890 4.565 0 40 GJAB Fc1ccccc1CSc1nnc(-c2ccncc2)n1Cc1ccccc1 6531552 NPLXDMVZJCVALT-UHFFFAOYSA-N 376.460 4.820 0 40 GJAB Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 6819388 HACPRUUSTRLDDR-KRWDZBQOSA-N 377.415 4.732 0 40 GJAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 7079605 PFCTZARBSYPJHL-PKOBYXMFSA-N 394.515 4.979 0 40 GJAB CN(Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1)[C@H]1CCCc2ccccc21 7674342 HPXYNNCYQVDCGY-KRWDZBQOSA-N 391.496 4.754 0 40 GJAB Cc1cccc(C)c1NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21 7985738 WMLMTONCSQGPII-UHFFFAOYSA-N 384.483 4.904 0 40 GJAB CC(C)(C)C(=O)COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1 8185132 OYOMFNYELLJHDN-UHFFFAOYSA-N 391.826 4.503 0 40 GJAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccccc2)cc1 8381655 BCRYIGKNOKXCQR-UHFFFAOYSA-N 390.552 4.927 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1c(F)cccc1Cl 8512469 SSNNLTRMWAKWHK-UHFFFAOYSA-N 390.823 4.626 0 40 GJAB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)c1 8673487 MJTKHUHGDKVJRD-FQEVSTJZSA-N 387.907 4.543 0 40 GJAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(C(C)C)cccc3s2)no1 9207040 ZXJWPVXIVZUYDL-UHFFFAOYSA-N 392.484 4.958 0 40 GJAB COc1cccc(Nc2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)c1 9273183 MBAWOHPQFBUHPT-UHFFFAOYSA-N 380.839 4.513 0 40 GJAB O=C(c1ccc(CN2CCCCC2)o1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12116128 FLOYVMOSBALPQG-FQEVSTJZSA-N 392.503 4.509 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12515414 BWTSSRVGYMCFPG-ZDUSSCGKSA-N 385.464 4.564 0 40 GJAB O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@@H](c2nnc3ccccn23)C1 12793793 BDDBISXOUDNAGC-LJQANCHMSA-N 398.466 4.541 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-n2cccn2)c1 19718281 PZWVEYLGDCXBCR-UHFFFAOYSA-N 378.819 4.741 0 40 GJAB CCn1c(SCc2cc(=O)c3c(C)ccc(C)c3[nH]2)nnc1-c1cccs1 21098945 PJAFBWDKMQGYBS-UHFFFAOYSA-N 396.541 4.777 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3F)n2)cc1 21792105 QNDZGNOBNMECGC-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc(OCc2c(C)noc2C)cc1 22900463 XCSNMFJMTIYOMU-UHFFFAOYSA-N 390.483 4.701 0 40 GJAB Cc1occc1-c1nn(CN2CCC(C)CC2)c(=S)n1Cc1ccccc1 24253897 AGZDYTRTMAZBMV-UHFFFAOYSA-N 382.533 4.720 0 40 GJAB C[C@@H](CC(=O)N(Cc1cccs1)Cc1cccs1)NC(=O)c1ccccc1 24465947 MLVHROKKCGHVRQ-INIZCTEOSA-N 398.553 4.547 0 40 GJAB Cc1c(C(=O)Nc2ccccc2OCC(F)(F)F)cnn1-c1ccccc1F 26137628 OQMCIADPKVEGDY-UHFFFAOYSA-N 393.340 4.513 0 40 GJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(=O)c2ccccc2o1 30317217 VLNADXURRCOIPN-LLVKDONJSA-N 376.239 4.933 0 40 GJAB CCc1nc(OCC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2n1 33287305 SVIHNZBARNCSSV-UHFFFAOYSA-N 376.243 4.517 0 40 GJAB Cc1cccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)c[nH]c23)c1 33291879 RMIIKJZUFXRABL-UHFFFAOYSA-N 392.459 4.803 0 40 GJAB COc1ccc(-c2nc(CC(=O)OCc3cc(C)ccc3C)cs2)cc1OC 39576439 DEWZTYNKYBFEET-UHFFFAOYSA-N 397.496 4.730 0 40 GJAB O=C(Nc1cc(F)ccc1F)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073419 PZLNMBIYGDVCHV-INIZCTEOSA-N 399.224 4.515 0 40 GJAB CCOc1ccc(CN(C)C(=O)Nc2ccc(F)cc2Br)cc1 40121684 BHWLQVIIXRISIP-UHFFFAOYSA-N 381.245 4.651 0 40 GJAB COc1ccc(NC(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)cc1 40149967 KBWFWTLUBNEENN-UHFFFAOYSA-N 392.503 4.962 0 40 GJAB Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccccc2C)cc1 44086778 HIXGPZKOYDYQMQ-UHFFFAOYSA-N 391.540 4.871 0 40 GJAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CN2CCCCCC2)cc1 44852658 BERLEGULFNFPIK-HXUWFJFHSA-N 380.532 4.568 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2Cl)[nH]n1 57412311 XLUCOSWKSZTUHT-UHFFFAOYSA-N 376.641 4.745 0 40 GJAB Cc1ccc(-c2csc3ncnc(N[C@@H](C(N)=O)c4ccccc4)c23)cc1C 65477334 HFHKASDELCETPN-LJQANCHMSA-N 388.496 4.614 0 40 GJAB O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2c(F)cc(F)cc2F)C1=O 70004790 SFIOHRHDCPPLNR-MRXNPFEDSA-N 397.393 4.557 0 40 GJAB COc1cccc(CN(C)C(=O)c2ccc(-c3noc(CC(C)(C)C)n3)cc2)c1 84169946 ZTGNBNBBUWDQOR-UHFFFAOYSA-N 393.487 4.606 0 40 GJAB O=C(NC1CCC(c2ccccc2)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 84525482 LYUXXDUDWIRYLA-FQUBMZHMSA-N 382.479 4.635 0 40 GJAB CC(=O)c1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)n(C)c1 89291920 JNECCHZIQBPBIL-UHFFFAOYSA-N 375.453 4.757 0 40 GJAB OC1(c2ccccc2F)C[C@@H]2CC[C@@H](C1)N2Cc1c(C2CC2)[nH]c2ncccc12 100736615 VZLCCSAUDQLNCF-IRXDYDNUSA-N 391.490 4.594 0 40 GJAB CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 101113435 CHKIYNDAMSPSOR-RTKZEXODSA-N 386.586 4.935 0 40 GJAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4C)CC3=Nc3ncnn32)cc1 102663382 LZTXVHVEHHLRKN-AOMKIAJQSA-N 386.455 4.660 0 40 GJAB CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 103717947 KAIQENSLOLZBTL-HNNXBMFYSA-N 386.879 4.511 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c1 223740689 FYACKEGRNSAOHI-FQEVSTJZSA-N 395.543 4.750 0 40 GJAB Cc1ccc(SCCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225287130 TVWJLJVXGAHPIJ-UHFFFAOYSA-N 399.585 4.509 0 40 GJAB CCOc1ccc(CCCNC(=S)Nc2ccc(Br)cc2)cc1 225621584 MZWFBABLVFOKLT-UHFFFAOYSA-N 393.350 4.767 0 40 GJAB CC[C@@H](CNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)Cc1ccccc1 225633399 CMRSRCVHOMELQK-GOSISDBHSA-N 395.572 4.677 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OCC)ccc1O[C@@H](C)CC 225818922 DRVOGFUKSDQIQN-KSFYIVLOSA-N 393.524 4.820 0 40 GJAB CC(=O)Nc1ccccc1SCc1ccc(I)cc1 409182699 NTPMQFSMJHTTDL-UHFFFAOYSA-N 383.254 4.542 0 40 GJAB O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1cc(-c2cccs2)on1 594875650 LLOOBCGSYKVIBD-UHFFFAOYSA-N 392.436 4.940 0 40 GJAB CC(C)[C@@H]1CC2(CCN(Cc3cn(C)cn3)CC2)CO[C@H]1c1ccc(F)cc1 1615528884 RTGQMDXHNCLFDY-VXKWHMMOSA-N 385.527 4.575 0 40 GJAB Cc1cc(C)c2[nH]c(=O)c(-c3nc4cccc(C)n4c3NCc3ccco3)cc2c1 1330134 ILQBPOQDUJJNKL-UHFFFAOYSA-N 398.466 4.973 0 40 GJAB CCCCOc1ccc(-c2nc(NN)c3c4c(sc3n2)COC(C)(C)C4)cc1 2209951 BBKQYVXYFUJQIV-UHFFFAOYSA-N 398.532 4.674 0 40 GJAB COc1cc(CCC(=O)Nc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 2617085 CZCDWIRVHFKVOA-UHFFFAOYSA-N 391.467 4.951 0 40 GJAB Cc1ccc(Sc2c(C)nn(C(=O)c3cc4ccccc4oc3=O)c2C)cc1 2685838 HQZXOKWCLSKEDJ-UHFFFAOYSA-N 390.464 4.754 0 40 GJAB COc1cc2[nH]c3c(N4C[C@]5(C)C[C@H]4CC(C)(C)C5)ncnc3c2cc1OC 4039926 HQGYCKJNSBGJGT-MCMMXHMISA-N 380.492 4.533 0 40 GJAB CCc1ccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1 4358310 MGXDAEVSDBSDJP-UHFFFAOYSA-N 384.530 4.510 0 40 GJAB COc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OCc1ccccc1 4471189 AKBARMWECBHUEZ-STZFKDTASA-N 399.446 4.927 0 40 GJAB CCOC(=O)c1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 4628358 CNYPLZYHBFXXLG-UHFFFAOYSA-N 384.501 4.628 0 40 GJAB COc1ccc(Cl)cc1NCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 4744556 XEMIDPHUKMGPML-LZYBPNLTSA-N 392.839 4.594 0 40 GJAB Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccc(Cl)cc2)CSC3)c1 5077659 RROPBIMXVAVXBJ-UHFFFAOYSA-N 383.904 4.762 0 40 GJAB O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)Nc1cccnc1Cl 5183345 HVMKDOCCUPHDIC-UHFFFAOYSA-N 398.919 4.530 0 40 GJAB O=C(COc1ccccc1C1SCCS1)N[C@H]1CCCc2ccccc21 6586301 ZMMFAVIFCCDVJY-SFHVURJKSA-N 385.554 4.738 0 40 GJAB CCCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(C)cc3s2)n1 6810536 UABQTSCEUDEOGZ-UHFFFAOYSA-N 378.910 4.803 0 40 GJAB O=C(Nc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1)c1ccccc1 7063253 NONMELVDBPAPNV-UHFFFAOYSA-N 377.469 4.801 0 40 GJAB COc1ccccc1C(=O)CSc1nc(C(F)(F)F)nc2ccccc12 7160643 NBDUQUYSJCYVCU-UHFFFAOYSA-N 378.375 4.632 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)COc2cc(C(C)C)ccc2C)cc1 7408230 KDJBRSNFGNXJMS-UHFFFAOYSA-N 382.504 4.618 0 40 GJAB CC(=O)c1ccc(OCc2csc(N(C(C)=O)c3ccccc3F)n2)cc1 7737127 UQSCDXUGHQHVKO-UHFFFAOYSA-N 384.432 4.748 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882018 YJNYXCBETAGFQZ-NSHDSACASA-N 397.689 4.947 0 40 GJAB Cc1nnc(SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)n1C1CC1 8316449 XLZBMZGCMRFYII-OAHLLOKOSA-N 392.528 4.558 0 40 GJAB Cc1ccc(-c2noc(CN(C(=O)c3ccc(OC(C)C)cc3)C(C)C)n2)cc1 8570352 NBPHSGJURAPURN-UHFFFAOYSA-N 393.487 4.883 0 40 GJAB O=C(NCc1ccccc1CN1CCCCC1)c1cc(Cl)ccc1Cl 10281611 JEJQWHUYMJWCNS-UHFFFAOYSA-N 377.315 4.909 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3c(C)noc3n2)s1 10641701 HMSGCVMGDPDSFM-UHFFFAOYSA-N 393.424 4.549 0 40 GJAB CSc1nncn1-c1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 12536550 QOHRDYAWXHONRU-UHFFFAOYSA-N 396.516 4.666 0 40 GJAB Cc1nc(COc2ccc([C@@H]3Nc4ccccc4C(=O)N3C3CC3)cc2)cs1 12544258 RMVJFEKYUIOLHY-OAQYLSRUSA-N 391.496 4.759 0 40 GJAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1F 12744565 QRBGNXRCIBASHW-QXLXQBSBSA-N 382.460 4.821 0 40 GJAB Nc1ccc([C@](O)(c2nc3ccccc3s2)C(F)(F)F)c2c(O)cccc12 12759109 BJVFACOSJUVWNW-SFHVURJKSA-N 390.386 4.536 0 40 GJAB COc1ccc(C2=NN=C(Nc3ccc(Cl)cc3Cl)SC2)cc1OC 13097210 PDMMGQQSIWNVHS-UHFFFAOYSA-N 396.299 4.930 0 40 GJAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1cccs1 13142850 RPGASFVGBMBKCI-NQSCKRDGSA-N 385.529 4.655 0 40 GJAB Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc2ccccc12 13687607 HRBQMYRHPACTIS-UHFFFAOYSA-N 380.879 4.551 0 40 GJAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)n2)cc1 19910727 MNLDEUYEBMGANJ-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 20900084 YRVZPZFVQUIUMG-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB Cc1ccsc1/C=C/C(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1 22472675 ISBWDQBKTGGYCT-ONEGZZNKSA-N 380.445 4.732 0 40 GJAB CCCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1OC 22763380 ICXZVROMPQXHRB-XLMABTLZSA-N 385.426 4.735 0 40 GJAB COCc1c(C(=O)NCc2nc3ccccc3s2)sc2cccc(F)c12 24588701 SYTRNHLXVWVROH-UHFFFAOYSA-N 386.473 4.727 0 40 GJAB CS(=O)(=O)Nc1ccc(-c2csc(Nc3ccccc3Cl)n2)cc1 24937153 ZDAYKXSIFMKHSL-UHFFFAOYSA-N 379.894 4.579 0 40 GJAB Cc1ccc(NC(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c(C)c1 27920986 MNECPSPBUQVDLN-UHFFFAOYSA-N 399.292 4.955 0 40 GJAB COc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1 32623671 WHPHOXBFBQBPOW-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB C[C@@H](NC(=O)CCC(=O)CCC(=O)c1cccs1)c1ccc(Cl)cc1 32687950 UAGIKDGRBFACCQ-CYBMUJFWSA-N 377.893 4.591 0 40 GJAB CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1nc2ccccc2n1Cc1ccccc1 33327222 RKXQNHBMMDSJHA-XMMPIXPASA-N 394.478 4.782 0 40 GJAB COc1ccc(Cc2nnc(SCc3ccccc3Br)o2)cc1 35264649 UXYNFVDXOPQTPL-UHFFFAOYSA-N 391.290 4.724 0 40 GJAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2c(C)noc2C)cc1F 35671760 JDRZUXWHLHOCGQ-UHFFFAOYSA-N 392.386 4.968 0 40 GJAB CCN(Cc1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 40104404 YHHVXHBAEQDPBI-UHFFFAOYSA-N 379.382 4.718 0 40 GJAB Cc1c(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)oc2c1C(=O)CCC2 40133526 GCKSKAUXQKLNAH-UHFFFAOYSA-N 384.432 4.546 0 40 GJAB CCc1nn2c(ncc3c(=O)n(Cc4ccc(C)cc4)ccc32)c1-c1ccccc1 40387833 FFNXLVPAUZRRGE-UHFFFAOYSA-N 394.478 4.630 0 40 GJAB O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)Oc1ccccc1 41076860 YPWONYCSSQCYSO-UHFFFAOYSA-N 392.455 4.921 0 40 GJAB CCOc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3ccc[nH]3)s2)cc1 48264234 CTUXLSGXLBIYAS-GOSISDBHSA-N 381.501 4.823 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(CSC(F)F)o2)N1c1ccncc1 54702475 CJVCLOPSJAOSIM-QGZVFWFLSA-N 387.411 4.902 0 40 GJAB COc1ccc(CCC(=O)N(C)c2ccccc2-c2ccccc2)cc1OC 58007810 NYSGNTUHVXDHIC-UHFFFAOYSA-N 375.468 4.966 0 40 GJAB CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C 68046006 OJGDWMVJZVITJX-INIZCTEOSA-N 377.872 4.515 0 40 GJAB COc1cc(C(=O)N2CC=C(c3ccccc3)CC2)nc2c(C)cc(F)cc12 72328781 KAJDRJUHWVJIBB-UHFFFAOYSA-N 376.431 4.620 0 40 GJAB Cc1ccc(NC(=O)C[C@@H]2OCCc3ccsc32)c(-c2nc(C3CC3)no2)c1 95405799 DDERYNFJZZTLKZ-KRWDZBQOSA-N 395.484 4.627 0 40 GJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(O)c(Cl)c2)SC1 95473672 DTNCYVVUGMTJDM-GOSISDBHSA-N 385.876 4.715 0 40 GJAB C[C@H](OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1cnc2ccccc2c1 95942860 NIUJOEQSGWSYCJ-IFXJQAMLSA-N 384.476 4.532 0 40 GJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N[C@H]1CCCC[C@@H]1C(F)(F)F 95950556 JZHSYFZRUYDIDA-KBPBESRZSA-N 384.398 4.971 0 40 GJAB COc1ccccc1NC(=O)[C@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C 100641871 OUQBEFBPZPPCCK-ZEQRLZLVSA-N 387.483 4.606 0 40 GJAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)c1 100748751 HZGKIKCZPCBRSK-OFNKIYASSA-N 378.472 4.524 0 40 GJAB biogenic O=C(COc1ccccc1)NCC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100871925 SJHGBCFZSCWVEO-SCAKWATOSA-N 375.512 4.720 0 40 GJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@]2(C)C1 118930413 UKIIXHVIHAJCMP-MTMPWEDDSA-N 388.548 4.735 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)N1CCS[C@@H](c2ccco2)CC1 207007310 RQPQIMQHRJVCRR-MRXNPFEDSA-N 386.300 4.672 0 40 GJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)n1cc(C(=O)O)c2ccccc21 216859268 KHJIRUJABATOSO-UHFFFAOYSA-N 378.211 4.674 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 219562805 GDYXLWUDWXSCND-UXHICEINSA-N 385.504 4.765 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1F 219605120 HVNIJPNZWCXQQF-SFHVURJKSA-N 381.900 4.686 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 223768696 UILABSCQOLTULG-LEWJYISDSA-N 392.528 4.650 0 40 GJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)S1 260788390 ZRHRZJNQTBBKAQ-VOBQZIQPSA-N 378.476 4.601 0 40 GJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 408624002 AFOHPXBUKYGRBH-MRXNPFEDSA-N 381.545 4.755 0 40 GJAB CC(C)C[C@@H](C)n1nccc1NC(=O)N1CCC2(CC1)OCCc1ccccc12 582768339 DPPAKJWCZRIHNT-GOSISDBHSA-N 396.535 4.586 0 40 GJAB COc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)C2(F)CCC2)c1 2056225725 ZXMLHZATDNBBMA-UHFFFAOYSA-N 395.474 4.649 0 40 GJAB CCSc1nnc2c(n1)O[C@H](c1cccs1)N(C(=O)CC)c1ccccc1-2 684585 CWUDFZGTIZTYCL-GOSISDBHSA-N 398.513 4.546 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1 830156 DLWNNPVKUDXYEJ-UHFFFAOYSA-N 392.846 4.725 0 40 GJAB CCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)c1 2053754 IZFLQAPOVOUUAC-UHFFFAOYSA-N 383.300 4.909 0 40 GJAB C[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 2625738 HTTVOGYJFQKHND-HNNXBMFYSA-N 394.496 4.521 0 40 GJAB COc1ccc(C2=N/C(=C\c3ccccc3OCc3ccc(C)cc3)C(=O)O2)cc1 2818895 DTXLUKRUTOAKSW-JCMHNJIXSA-N 399.446 4.927 0 40 GJAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1F 3231711 SSGTYNAQFOYDCU-UHFFFAOYSA-N 376.598 4.581 0 40 GJAB COc1cccc(Nc2nnc(SCc3nnc(-c4ccccc4)o3)s2)c1 3555143 AGHZGELLSKNIHG-UHFFFAOYSA-N 397.485 4.633 0 40 GJAB COc1ccc(OCc2ccccc2C)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 4598865 YWDMLVQKVAQQRT-PXLXIMEGSA-N 399.446 4.927 0 40 GJAB CCc1ccccc1NC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1 4664060 XRTKIJAFSRNGKC-UHFFFAOYSA-N 397.544 4.831 0 40 GJAB Cn1c2c(s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1)CCc1ccccc1-2 4815273 ZTJQFUDUQOFVDU-GYHWCHFESA-N 376.525 4.891 0 40 GJAB COc1ccc(-c2ccc(CNCCCSc3ncccn3)o2)cc1Cl 4984215 QUALYRFQEGDEJD-UHFFFAOYSA-N 389.908 4.671 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)o1 5094203 GSJFFPVTODBTRV-UHFFFAOYSA-N 397.478 4.766 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1CCc1ccccc1 5576698 CINZTHPTYVAVOF-QFIPXVFZSA-N 399.421 4.720 0 40 GJAB Fc1ccccc1Cc1nnc2n1N=C(c1ccc(Cl)cc1Cl)CS2 7160150 OGGFFWQTYPLUGK-UHFFFAOYSA-N 393.274 4.673 0 40 GJAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc(C)cc(-c2ccccc2)n1 7624826 SYTJXWADKNJBIW-OAHLLOKOSA-N 379.485 4.580 0 40 GJAB O=C(COc1ccc2c(c1)CCC2)Nc1ccccc1-c1nc2ccccc2[nH]1 7725445 ONHPGNQEEGFXTC-UHFFFAOYSA-N 383.451 4.736 0 40 GJAB Cc1cccc(Nc2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)s2)c1 8012549 VRJNRFGVBPCWBY-GFCCVEGCSA-N 395.513 4.680 0 40 GJAB COc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 8341805 SOXXIXFSBAKPOO-UHFFFAOYSA-N 389.480 4.921 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 8429452 HPAISBARWVJRMD-UHFFFAOYSA-N 390.524 4.578 0 40 GJAB Cc1ccc(C)c(CN(C(=O)Nc2ccccc2)c2nnc3n2CCCCC3)c1 8549708 HUFCESNONDYUHC-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB CC[C@H](CO)Nc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 8673051 FQERLCYQNHZVEB-CQSZACIVSA-N 390.512 4.578 0 40 GJAB CN(Cc1c(F)cccc1Cl)C(=O)CCCSc1nc2ccccc2[nH]1 9516129 UAFSWUAZYGMRKT-UHFFFAOYSA-N 391.899 4.886 0 40 GJAB CN(Cc1c(F)cccc1Cl)C(=O)c1c[nH]c2ccc(Br)cc12 9535871 RGFKDVPRNWAITJ-UHFFFAOYSA-N 395.659 4.995 0 40 GJAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 9638458 CRYCJAMBYCDAMO-AWEZNQCLSA-N 396.491 4.847 0 40 GJAB Cc1nc(-c2ccccc2)c(CC(=O)N[C@H](c2ccccc2)c2cccnc2)s1 12148256 SRWLWKBXEPTHLS-HSZRJFAPSA-N 399.519 4.962 0 40 GJAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccccc1)Cc1ccco1 12407932 GSGPMTJSKVIHHA-UHFFFAOYSA-N 391.492 4.941 0 40 GJAB Cn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nc2ccccc21 12551164 GVRLLUXTAHCSRG-UHFFFAOYSA-N 379.457 4.619 0 40 GJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(OC(F)F)c(Cl)c3)ccc2o1 12776798 OKUVYHPNNQZRNZ-VIFPVBQESA-N 395.793 4.830 0 40 GJAB COc1cccc(-c2nc(COC(=O)c3c[nH]c4ccccc34)cs2)c1OC 14129028 IZSVDYRPBVHKQZ-UHFFFAOYSA-N 394.452 4.666 0 40 GJAB O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(F)cc1 15539973 BGWMKAWEKDGKSQ-KRWDZBQOSA-N 382.460 4.762 0 40 GJAB C[C@@H](OC(=O)c1ccccc1Nc1ccccc1)c1nc2ccccc2c(=O)[nH]1 16210016 GBXSIAADVIWTPG-OAHLLOKOSA-N 385.423 4.585 0 40 GJAB Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3cccc(F)c3)CC2)n1 19118602 NHFCAXFOYKQUSZ-UHFFFAOYSA-N 381.476 4.672 0 40 GJAB CCOc1ccc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)cc1OC 19533940 OUWDOJCAQRQPHN-KRWDZBQOSA-N 388.558 4.994 0 40 GJAB COc1ccccc1OCCN(C)Cc1c(C2CCCC2)[nH]c2ncccc12 19586174 FBZZQYOQWOTMOK-UHFFFAOYSA-N 379.504 4.740 0 40 GJAB CCOC(=O)c1cc(NC(=O)c2ccc(N3CCCCC3)cc2)ccc1Cl 20483050 BFNCUFUFUQZXDW-UHFFFAOYSA-N 386.879 4.759 0 40 GJAB Fc1cc(F)cc(-c2cc(-c3ccccc3)nc3nc(C(F)(F)F)nn23)c1 20800313 XKBXEXGQSGNYMM-UHFFFAOYSA-N 376.288 4.755 0 40 GJAB CC(C)(C)c1cc([C@@H](c2ccncc2)N2CCOCC2)cc(C(C)(C)C)c1O 21673409 BKNZBXOKANILIF-OAQYLSRUSA-N 382.548 4.804 0 40 GJAB O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CC=C(c2ccccc2)CC1 22518124 ZATGDJFUQZGEJV-UHFFFAOYSA-N 394.478 4.593 0 40 GJAB CC[C@@H](CNC(=O)c1ccccc1SCc1noc(C)n1)c1ccccc1 23007357 OCEKSOUDCQYJRY-INIZCTEOSA-N 381.501 4.594 0 40 GJAB COc1ccccc1[C@@H](C)N(C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C 25111785 HRODFMMRFJRLIQ-CQSZACIVSA-N 388.533 4.883 0 40 GJAB CC(C)c1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1 27580116 TVJCTSJTNYHFJN-FQEVSTJZSA-N 386.561 4.594 0 40 GJAB CCCOc1cccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)c1 27990229 CIVHYTLTVOKILA-UHFFFAOYSA-N 380.513 4.880 0 40 GJAB COc1ccccc1N[C@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 28758285 OYVQCXRUGKWOAG-MRXNPFEDSA-N 392.503 4.618 0 40 GJAB Cc1ccc(CCC2CCN(C(=O)CCc3ccc4c(c3)OCCO4)CC2)cc1 32857597 JIMZBCCXTUNJRW-UHFFFAOYSA-N 393.527 4.570 0 40 GJAB O=[S@@](Cc1ccccc1)/C(=C\NC(=S)Nc1ccccc1)c1ccccc1 33493155 XKXNSSGXGWFECQ-UYNMUPFFSA-N 392.549 4.921 0 40 GJAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)c1OC 36366561 YFELEBLMFKADKA-ZDUSSCGKSA-N 383.835 4.667 0 40 GJAB O=C1CC2(CCN(Cc3ccccc3F)CC2)Oc2c1ccc1ccccc21 39227043 LAJXOULCIVRGCU-UHFFFAOYSA-N 375.443 4.979 0 40 GJAB CC(C)(C)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 40433978 GVUXGAUXGMHUSZ-HXUWFJFHSA-N 381.472 4.805 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1C 44843959 FHFQSDXGBJNINZ-IBGZPJMESA-N 394.515 4.726 0 40 GJAB Clc1ccccc1-c1nnc2sc(-c3cccc(Br)c3)nn12 45208963 BLPKYIVNUYVDAH-UHFFFAOYSA-N 391.681 4.936 0 40 GJAB CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1 47157684 MWLALWUBSVLPHR-UHFFFAOYSA-N 386.249 4.621 0 40 GJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(Cc1ccncc1)C3 54313327 YPNVNXVMUGQHJQ-UHFFFAOYSA-N 384.435 4.516 0 40 GJAB biogenic O=C(Cn1cnc2cc(F)c(F)cc21)Nc1cccc(Oc2ccccc2)c1 58394205 DXMRZGVAVAZMBA-UHFFFAOYSA-N 379.366 4.746 0 40 GJAB Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)/C=C/c1ccc(F)cc1 60331092 MMCUFCDIOCPSBL-QGFLDLQWSA-N 375.447 4.908 0 40 GJAB COC(=O)c1cc(OCc2cccc(C(F)(F)F)c2)c2cc(OC)ccc2n1 65033248 FPHBHCPHXIRYEH-UHFFFAOYSA-N 391.345 4.628 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349855 UDIVNSQNHNLEBR-KRWDZBQOSA-N 395.503 4.596 0 40 GJAB O=C(NC[C@](O)(c1cccs1)C1CC1)C1(c2ccc(Cl)cc2)CCCC1 77099495 GTYHOGWPAHLQST-OAQYLSRUSA-N 389.948 4.627 0 40 GJAB O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(Oc2ccccc2)CC1 84553553 OWUTVBCRAAFADW-OALUTQOASA-N 389.417 4.879 0 40 GJAB COC(=O)CN1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccco1 102644398 RCVSPSXAZHZZQT-OAQYLSRUSA-N 380.444 4.719 0 40 GJAB CCOc1ccc([C@@H]2CCCN2[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 103945939 QWVJZHKGDWWDDA-YVHKJVDXSA-N 384.495 4.627 0 40 GJAB Cc1ccc(N2C(=O)/C(=C/N3CCc4ccccc4C3)c3ccccc3C2=O)cc1 105768251 MJROXDRRIVVQLH-JJIBRWJFSA-N 394.474 4.581 0 40 GJAB CC(C)Oc1cccc(CNC(=O)CSCc2c(F)cccc2Cl)c1 113932607 OYVXWPURFOYMDV-UHFFFAOYSA-N 381.900 4.816 0 40 GJAB O=C(Nc1nnc(C2CCCCC2)s1)[C@H](c1ccccc1)N1CCCCC1 141591565 UNLCEMSVVSBTAS-SFHVURJKSA-N 384.549 4.752 0 40 GJAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CCS1 219267448 UEDBZWGDHCWVDE-NRFANRHFSA-N 395.503 4.845 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)ccc1Cl 222840428 LCAYSHPDLUQZOX-ZDUSSCGKSA-N 384.328 4.978 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1C(C)C 223789822 JUCVZXLTVAWYLC-GOSISDBHSA-N 375.896 4.816 0 40 GJAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224081065 ZQEURVUGMRLZTJ-QGZVFWFLSA-N 375.896 4.536 0 40 GJAB Cc1ccc(OCCNC(=O)c2ccccc2OCc2ccccc2)c(C)c1 224274539 YMSONDSQPMNBLJ-UHFFFAOYSA-N 375.468 4.691 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 225559115 QTNBYRSMYISOLC-REWPJTCUSA-N 394.559 4.650 0 40 GJAB O=C(NC[C@H](O)c1csc2ccccc12)C(c1ccccc1)c1ccccc1 225693664 RGDVLHHMGJUPIP-NRFANRHFSA-N 387.504 4.883 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C 229798878 HYBSWXMRQOAMFV-SMASLZHESA-N 396.560 4.783 0 40 GJAB C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@H](CC=C5C[C@H](O)CC[C@]54C)[C@@H]3C[C@H]2O[C@@]12CC[C@@H](C)CN2 253590296 FNIVMUUUMKIEAO-RBYHLORJSA-N 399.619 4.897 0 40 GJAB CCN(CC)c1ccc2cc(C(=O)Nc3cc(Cl)ccc3C)c(=O)oc2c1 408801596 WGRNVDYFYYXMKR-UHFFFAOYSA-N 384.863 4.853 0 40 GJAB COc1ccccc1C1=N/C(=C/c2ccncc2)C(=O)N1c1ccc(Cl)cc1 408839968 BVDRHBSKQCRGIY-XMHGGMMESA-N 389.842 4.578 0 40 GJAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2c(C)cccc2CC)cc1 409087770 JWBZFDJMHQQSHT-UHFFFAOYSA-N 394.544 4.740 0 40 GJAB COc1ccccc1C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@H]3C 575473062 BJZGJTUBTIOHKH-CQSZACIVSA-N 391.467 4.755 0 40 GJAB FC(F)(F)c1cccc([C@@H](NC2CCN(c3ccccn3)CC2)C2CC2)c1 585079980 FIADVTHUGYZBDM-FQEVSTJZSA-N 375.438 4.810 0 40 GJAB Cc1cc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)ccc1F 1615155206 IIAXYPYJACESCS-UTKZUKDTSA-N 384.470 4.793 0 40 GJAB COc1ccc(-c2csc3ncn(-c4ccc(Cl)cc4)c(=O)c23)cc1OC 798347 NAZQBIZLYUJQFG-UHFFFAOYSA-N 398.871 4.785 0 40 GJAB Cc1ccc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 868183 FGNIGELIEQQSSE-UHFFFAOYSA-N 396.446 4.887 0 40 GJAB O=C(N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)Oc1ccccc1Cl 956958 XLRHWADGRKEQIB-HNNXBMFYSA-N 394.132 4.769 0 40 GJAB CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1cccc(C)c1 976330 ZJBWAECAKUXJBN-MRXNPFEDSA-N 380.517 4.701 0 40 GJAB c1ccc(Cc2nnc(N3CCN(c4ccccc4)CC3)c3ccccc23)cc1 1393434 PMNLMFUHSIYHHB-UHFFFAOYSA-N 380.495 4.547 0 40 GJAB in-vivo O=C(Nc1ccccc1)OC[C@H]1COC(c2ccccc2)(c2ccccc2)O1 1671128 MVEQXLRCFNSAMP-NRFANRHFSA-N 375.424 4.552 0 40 GJAB O=C(O)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 2411978 JDDDTZFILDABNT-UHFFFAOYSA-N 393.493 4.572 0 40 GJAB CC[C@H](C)Sc1nnc(CSc2ncccn2)n1-c1ccc(Cl)cc1 2706189 ZJSLUKCWCVXTFS-LBPRGKRZSA-N 391.953 4.894 0 40 GJAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 4118406 MCIAMVVNWPELTR-INIZCTEOSA-N 394.544 4.650 0 40 GJAB CCOc1ccc(C(=O)C[C@@H](SCc2ccc(Cl)cc2)C(=O)O)cc1 4118439 SIMRPLDHTYWVHW-GOSISDBHSA-N 378.877 4.698 0 40 GJAB COc1ccc(OC)c2sc(NC(=O)c3cc(Cl)cc(Cl)c3)nc12 4330946 CTVXAOVEFPMGTF-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB CC[C@@H](C)Sc1nc2c(c(=O)n1-c1cccc(C(F)(F)F)c1)SCC2 4358862 KDOKZBJCYLRROP-SNVBAGLBSA-N 386.464 4.790 0 40 GJAB CCN(CC)C(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1 4416391 YGPJGZXWKXWJSS-UHFFFAOYSA-N 378.560 4.717 0 40 GJAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)O)cc1 4784799 ALXNPPBJSPYRSL-XMMPIXPASA-N 396.446 4.773 0 40 GJAB Cc1cc2oc(=O)cc(CSc3nnc(-c4cccnc4)o3)c2cc1C(C)C 5213913 HOAHGBQCYWAIDO-UHFFFAOYSA-N 393.468 4.962 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1 5746133 JMEIKKZPNIJREU-UHFFFAOYSA-N 388.423 4.835 0 40 GJAB O=C(Cc1c(Cl)cccc1Cl)Oc1ccccc1C(=O)N1CCCCC1 6078916 LWLURPGCSFXZPZ-UHFFFAOYSA-N 392.282 4.768 0 40 GJAB CN(C(=O)COc1ccc2ccccc2c1Br)C1CCCCC1 6218950 DTMBARYSQGRKSV-UHFFFAOYSA-N 376.294 4.772 0 40 GJAB COc1cc(CNCC(C)C)cc(Br)c1OCc1ccc(F)cc1 6883533 BANNNEYIZOESFC-UHFFFAOYSA-N 396.300 4.921 0 40 GJAB O=C(Cc1cccc2ccccc12)Nc1ccnn1Cc1ccc(Cl)cc1 8157144 MKFMAAHORDLXBN-UHFFFAOYSA-N 375.859 4.919 0 40 GJAB O=C(CSc1ccc2ccccc2c1)Nc1cc(Cl)ccc1-n1cncn1 8328701 DYIAVCZULMIKBP-UHFFFAOYSA-N 394.887 4.805 0 40 GJAB Cc1c(C(=O)Nc2nonc2-c2ccccc2)oc2ccc(Br)cc12 8869485 ORUBEBMIFZKXKW-UHFFFAOYSA-N 398.216 4.806 0 40 GJAB Cc1ccc(NC(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1C 9324502 JNWZOURQONRRRF-UHFFFAOYSA-N 398.513 4.774 0 40 GJAB CCc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 10371402 ROYCTYSZPSAFOP-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB Cc1ccc(F)c(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 10661541 JRKOFAMSUWVXON-UHFFFAOYSA-N 376.435 4.518 0 40 GJAB CCc1oc2ccccc2c1CN1C[C@@H]2CCC[C@H](C1)C2(O)c1ccccn1 12135181 DWZTVNRHGAYTQO-QLCVBSLISA-N 376.500 4.510 0 40 GJAB Cc1oc(-c2cc(F)ccc2F)nc1CN(C)Cc1cccc(-n2cccn2)c1 12596042 RATNTNGUXMPASI-UHFFFAOYSA-N 394.425 4.746 0 40 GJAB O=C(c1ccc(-n2cccn2)cc1)N1CCCC[C@H]1c1nc2ccccc2s1 12677883 FFUYAMGVAGROGU-IBGZPJMESA-N 388.496 4.849 0 40 GJAB COc1ccc(NC(=O)CSCc2csc(C)n2)cc1Cc1ccccc1 12785401 OVHUKAJHOGEULT-UHFFFAOYSA-N 398.553 4.923 0 40 GJAB COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)ccc1OCc1c(C)noc1C 12805067 KPLMTMUJBFEIKK-FXAWDEMLSA-N 398.503 4.674 0 40 GJAB COc1ccc(CN(C)C(=O)c2ccc(COc3ccccc3)cc2)cc1F 12899165 UPHSYPTUDAFPDO-UHFFFAOYSA-N 379.431 4.686 0 40 GJAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(Cl)c(Cl)c1 17079875 BVSCZLJDEWDOCF-UHFFFAOYSA-N 391.279 4.979 0 40 GJAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccccc3F)cc2n1 19116923 QWYWKIOSXTXFNO-MRXNPFEDSA-N 378.373 4.533 0 40 GJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H]1COc2ccccc2C1 24964405 SHOPYMFHBMHECH-IRLDBZIGSA-N 396.490 4.667 0 40 GJAB CCCC(=O)Nc1ccc(OCc2coc(-c3cccs3)n2)c(C(C)=O)c1 25216241 UOXQIUKGYAJCIL-UHFFFAOYSA-N 384.457 4.923 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 27838988 BKGXRKSVNNYPQC-HZPDHXFCSA-N 396.409 4.721 0 40 GJAB Cc1ccccc1-n1ccnc1SCC(=O)N[C@H]1CCSc2ccccc21 32338284 ZLEUDLAKYALMOH-KRWDZBQOSA-N 395.553 4.626 0 40 GJAB Cc1ccc2[nH]c3nc(SCC(=O)Nc4cccc5ccccc45)nnc3c2c1 35312204 LMJFPPXADHBDSB-UHFFFAOYSA-N 399.479 4.699 0 40 GJAB COc1cccc(NC(=O)c2sc3ncn(C4CCCCC4)c(=O)c3c2C)c1 35672922 NAUKKNNEVHNTOY-UHFFFAOYSA-N 397.500 4.533 0 40 GJAB CCc1ccc(-c2noc(CSc3nc(O)cc(-c4ccccc4)n3)n2)cc1 38654264 LBDOHFUSPQDFNF-UHFFFAOYSA-N 390.468 4.754 0 40 GJAB O=C(Nc1cccc(C2SCCCS2)c1)c1cc(-c2cccnc2)on1 40131224 ZROHZDXDIDAXSY-UHFFFAOYSA-N 383.498 4.858 0 40 GJAB C[C@@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1cccc(C(F)(F)F)c1 47932209 GUPFOODUBMMJFJ-SECBINFHSA-N 393.390 4.508 0 40 GJAB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)C(F)(F)F 57316773 DYICXEKVMRWQLN-UHFFFAOYSA-N 385.139 4.758 0 40 GJAB CCOc1ccc2cc(C(=O)Nc3ccnc(Sc4ccccn4)c3)[nH]c2c1 71855255 WQUKTWGPSXWHKY-UHFFFAOYSA-N 390.468 4.760 0 40 GJAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 72348657 XUNPSOOSYCUOBL-LJQANCHMSA-N 390.458 4.916 0 40 GJAB O=C(COc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72357778 PODZRSAJADOOFL-HSZRJFAPSA-N 390.458 4.554 0 40 GJAB O=C(c1csc(-c2ccco2)n1)N(Cc1ccccn1)c1ccc(F)cc1 84609999 INAVHSNXBCVNAS-UHFFFAOYSA-N 379.416 4.784 0 40 GJAB Cc1ccc(SCc2cc(=O)n3nc(C)c(-c4ccc(F)cc4)c3[nH]2)cc1 101173416 BASBJZGTCWVRQQ-UHFFFAOYSA-N 379.460 4.738 0 40 GJAB COc1ccc(-c2c(C)nn3c(O)c(Cc4ccccc4Cl)c(C)nc23)cc1 102724773 GPHYCZXUFOHWSC-UHFFFAOYSA-N 393.874 4.972 0 40 GJAB Cc1cc(NC(=O)N[C@@H](C)C[C@H](O)c2cccs2)ccc1Oc1cccnc1 162601212 YMDKCVHAGYWIQU-YJBOKZPZSA-N 397.500 4.878 0 40 GJAB Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3OC(F)(F)F)sc2n1 215756758 MGXLOMDWDYFIDM-UHFFFAOYSA-N 381.379 4.646 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)COc2cccc3ccccc23)c1 218913256 UPOFIPAQEOALOT-UHFFFAOYSA-N 377.484 4.755 0 40 GJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(OC)c3)N21 222656706 PTOQCHSLXDYLBA-ORYQWCPZSA-N 397.544 4.857 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 222949480 RBTDJWKJNPSGNV-GJZGRUSLSA-N 396.379 4.678 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1Cl 223658468 KDRBHUFVENLYAP-INIZCTEOSA-N 389.923 4.908 0 40 GJAB Cc1c(Cl)cnc(NC(=S)NC2CCCCCC2)c1Br 224040715 OFWSBPFOOQHQPM-UHFFFAOYSA-N 376.751 4.815 0 40 GJAB Cc1cc(NC(=S)NCCCc2ccc(F)cc2)ccc1Br 225547115 NUMUNFKSUDYWTK-UHFFFAOYSA-N 381.314 4.816 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 225655203 DCPCEGHPHBCYMS-QGZVFWFLSA-N 399.541 4.935 0 40 GJAB O=C(c1ccc(-c2ccsc2)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225685486 XETWOSKRFAVNSL-HSZRJFAPSA-N 388.536 4.688 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225808224 LDDQRGLMYRJOPC-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB Cc1nccc([C@@H]2CCCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257243187 IFVFGDVCHHGONN-QHCPKHFHSA-N 387.483 4.877 0 40 GJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 260816885 RNPINJKJDFHXLS-YDHSSHFGSA-N 390.568 4.577 0 40 GJAB CCc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 408628470 UCZXOJAHDBQDEG-UHFFFAOYSA-N 389.933 4.947 0 40 GJAB O=C(O)CCSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 408749671 IKIKUHGZRHDUTG-UHFFFAOYSA-N 392.889 4.769 0 40 GJAB CC[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)c(C)c3)[C@](O)(C(F)(F)F)[C@@H]2C1 409183018 RJMZRRHAKNHWPS-CJBNDPTMSA-N 388.817 4.537 0 40 GJAB CN1CCC[C@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 585263057 XWVWLNRLKPZSLH-MRXNPFEDSA-N 382.508 4.972 0 40 GJAB O=C(CCCCCc1ccc(O)cc1)Nc1ccc(Oc2cnccn2)cc1 1654216001 GGHAQRZYVXALPH-UHFFFAOYSA-N 377.444 4.716 0 40 GJAB O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccccc1Cl 811903 ZPMAWJPCUNSPHD-UHFFFAOYSA-N 378.815 4.757 0 40 GJAB CCCC(=O)Nc1ccc2nc(CCC)n(Cc3ccccc3Cl)c(=O)c2c1 930646 XYVNUADVFATDKO-UHFFFAOYSA-N 397.906 4.789 0 40 GJAB CCOc1ccc2[nH]c(=O)c(-c3nc4ccccn4c3NC(C)(C)CC)cc2c1 1330328 QDVIZXZEHBKMQJ-UHFFFAOYSA-N 390.487 4.842 0 40 GJAB Cn1c(CCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2292537 ZWDYHAJEGZTNPA-UHFFFAOYSA-N 384.523 4.991 0 40 GJAB O=C(CCC(=O)OCC(=O)c1ccc2ccccc2c1)Nc1cccc(Cl)c1 2751298 WTJKVBMCLCMHNZ-UHFFFAOYSA-N 395.842 4.638 0 40 GJAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3N=C(c3ccccc3)C[C@H]21 4023656 VBGGBOHBVMRPPY-HXUWFJFHSA-N 384.435 4.930 0 40 GJAB biogenic CCCCNC(=S)N(Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCC1 4132647 GCEPEAHAUWWUTD-UHFFFAOYSA-N 385.577 4.510 0 40 GJAB Cc1ccccc1-n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2 4176222 IKKXXOFTQXQIEP-UHFFFAOYSA-N 399.903 4.598 0 40 GJAB C[C@@H]1CN(C(=O)c2ccc(COc3cccc4ccccc34)cc2)C[C@@H](C)O1 5127335 NNTUSYMOTQWYOW-QZTJIDSGSA-N 375.468 4.668 0 40 GJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)cc1 5256037 IXNSZIVQFHFLEU-NRFANRHFSA-N 379.435 4.663 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)Cc1c[nH]c2ccccc12 6384096 UTTFAQLYXBXKDB-INIZCTEOSA-N 378.472 4.713 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c(C)c1 6472746 OFGOYNOVJYDSPH-UHFFFAOYSA-N 392.484 4.576 0 40 GJAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C(C)C)cc1 6640474 KSGUTSKGOGVDRO-KRWDZBQOSA-N 379.287 4.695 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(NC(C)C)s1 8855976 DMVWPYQCHUMJAA-OLZOCXBDSA-N 378.567 4.991 0 40 GJAB COc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc1 9289675 JKZRLKSZKVUXOJ-UHFFFAOYSA-N 394.283 4.697 0 40 GJAB COc1ccc(CN(C)C(=O)CSc2nc(-c3ccccc3)cs2)cc1 9498494 RXGQPNLTYOVRJU-UHFFFAOYSA-N 384.526 4.569 0 40 GJAB CC[C@@H](C)N(C(=O)CSc1nnc(Nc2ccccc2F)s1)[C@H](C)CC 10077695 BQQLHVPGYOYEID-CHWSQXEVSA-N 396.557 4.939 0 40 GJAB O=C(NCCOc1ccc2ccccc2c1)c1occc1COc1ccccc1 10310420 CEZGOSXVEKTJMH-UHFFFAOYSA-N 387.435 4.821 0 40 GJAB Cc1ccc(C)c(CC(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)c1 10698321 JLPAVSJQRIWNGS-UHFFFAOYSA-N 399.535 4.580 0 40 GJAB Cc1cc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c2cnn(C(C)C)c2n1 10963757 GCQPJRGOMVYEAW-UHFFFAOYSA-N 378.520 4.890 0 40 GJAB CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1 12111466 KBBOEVLNOPPHJM-UHFFFAOYSA-N 381.432 4.565 0 40 GJAB CC1CCN(Cc2csc(NC(=O)Cc3c(Cl)cccc3Cl)n2)CC1 12904127 WRWKNNJBXKIEJS-UHFFFAOYSA-N 398.359 4.863 0 40 GJAB C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCCc2ccccc21 15349989 AFVOCWHADXMDEG-KGLIPLIRSA-N 379.529 4.623 0 40 GJAB COc1ccc(-c2nc(CNC(=O)c3ccc(OC(C)C)cc3)cs2)cc1 15832686 VEMRFIUVOHIPNY-UHFFFAOYSA-N 382.485 4.536 0 40 GJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OCC)cc3)cc2s1 17078314 ZAMWQXKKULIGFJ-UHFFFAOYSA-N 383.473 4.686 0 40 GJAB Cc1csc([C@@H](Cc2ccsc2)NCc2ccccc2-n2cccn2)n1 19240253 KDAHLJCVURCUFN-GOSISDBHSA-N 380.542 4.772 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2ccnc2)cc1 20455580 AEHURZKGHRMWIX-IBGZPJMESA-N 385.920 4.713 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)CCc2ccc(OC)c(OC)c2)cc1 20460799 GRSYPIUUHFNXQT-HXUWFJFHSA-N 385.504 4.549 0 40 GJAB Cc1cc(F)ccc1S(=O)(=O)N(Cc1cccs1)Cc1cccs1 22843336 LNVZRDTXLWBRSM-UHFFFAOYSA-N 381.519 4.648 0 40 GJAB CC1CCN([C@@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851748 QLXYYFOZLXUJSU-KRWDZBQOSA-N 394.500 4.578 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC[C@@H](C)C2)cc1 23114518 GDQCSSOWEPIINT-MRXNPFEDSA-N 398.503 4.751 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1oc2ccc(OC)cc2c1C 24218235 JEXONCRJKIZKJZ-ZDUSSCGKSA-N 380.444 4.530 0 40 GJAB COc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)c1 27584071 CIEOKLNBSHYFQK-OAQYLSRUSA-N 386.923 4.696 0 40 GJAB biogenic Cc1cc2oc(C(=O)N(Cc3ccco3)Cc3cccs3)cc(=O)c2cc1C 27742811 XQRXNEFYKDYRMZ-UHFFFAOYSA-N 393.464 4.907 0 40 GJAB Cc1ccc(C)c(NC(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c1 27933341 VZLTXOONWNUYTH-UHFFFAOYSA-N 380.414 4.608 0 40 GJAB Cc1ccc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1C 28292929 XIEVCMKBFBTAOH-UHFFFAOYSA-N 380.875 4.964 0 40 GJAB O=C(COc1ccccc1F)Nc1cc(-c2nc3cnccc3o2)ccc1Cl 32092301 JESMTKURKASQII-UHFFFAOYSA-N 397.793 4.700 0 40 GJAB Cc1cc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)n(C)n1 40090320 CJNRRBWCFJTJHQ-UHFFFAOYSA-N 395.459 4.914 0 40 GJAB CCCC[C@@H](CC)CNC(=O)COc1ccc(Cl)cc1Br 40942322 ABFPQRBNWQYDQE-GFCCVEGCSA-N 376.722 4.814 0 40 GJAB CC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)cc2Br)c1 40943908 MSSACHXLKFMSAP-UHFFFAOYSA-N 390.277 4.793 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)C2CC2)c1 44101333 ULMWDDQDJIVWCR-UHFFFAOYSA-N 378.259 4.664 0 40 GJAB CCCn1cc(-c2nc(-c3ccc(OCC)cc3)no2)c(=O)c2cc(F)ccc21 49001954 NNAYGQDHBMBHHY-UHFFFAOYSA-N 393.418 4.666 0 40 GJAB CCCc1nc(-n2cccc2)sc1C(=O)NCc1ccc(F)c(Cl)c1 49006260 FOIBGPNIDHRIEN-UHFFFAOYSA-N 377.872 4.609 0 40 GJAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)cc1 57487260 YAFDKVGGZUYWNH-UHFFFAOYSA-N 396.809 4.636 0 40 GJAB COc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)nc2c(C)cc(F)cc12 72329520 YPZNDDUKYYSLJL-UHFFFAOYSA-N 392.352 4.640 0 40 GJAB CCc1ccc2nc(NC(=O)N3CCC[C@@H]3C[C@H](O)c3ccco3)sc2c1 83825553 AMWSLYMSSOCWRQ-ZBFHGGJFSA-N 385.489 4.572 0 40 GJAB O=C(NCc1ccc(Br)s1)C1(c2ccccc2F)CCCC1 84501852 CFCAHTHESBUKBX-UHFFFAOYSA-N 382.298 4.778 0 40 GJAB S=C(NCc1ccc(Cl)cc1Cl)Nc1nccc(-c2cccs2)n1 225185059 ZJDBYWBDOKSIHJ-UHFFFAOYSA-N 395.340 4.999 0 40 GJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225845761 NBONLYYXWIIFTF-ZHRRBRCNSA-N 393.524 4.965 0 40 GJAB O=C(c1ccc(Cl)s1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390830272 JXESXTZYXIUUKJ-UHFFFAOYSA-N 391.846 4.702 0 40 GJAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)cc1 408696766 BROMAQCYGQHJMB-UHFFFAOYSA-N 386.430 4.888 0 40 GJAB O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccccc1N1CCCC1 618419097 CYXUXEBZAJJLSY-UHFFFAOYSA-N 392.474 4.935 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCc2ccc(F)cc2)N1c1cccc(F)c1 1615152690 BSXMFPWBEAKDIH-VXKWHMMOSA-N 398.497 4.946 0 40 GJAB CCOc1nc(NCc2ccc(Cl)c(Cl)c2)ncc1Br 1616034856 BRASHGHSLOMTCQ-UHFFFAOYSA-N 377.069 4.557 0 40 GJAB Cc1[nH]nc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1-c1ccc(Cl)cc1 1654783253 LVYJERVEKKIBNQ-UHFFFAOYSA-N 395.825 4.820 0 40 GJAB Cc1nc(CS(=O)(=O)c2ccccc2)cc(Sc2ccccc2Cl)n1 1392264 DNPPDKIBYATNPB-UHFFFAOYSA-N 390.917 4.564 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1ccnn1S(=O)(=O)c1ccccc1 1402526 HEJFANYCHUZBEM-GFCCVEGCSA-N 397.283 4.567 0 40 GJAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NC[C@@H]4CCCO4)ncnc32)c1 1447699 XMBVQVRWJNIZJO-FQEVSTJZSA-N 384.483 4.987 0 40 GJAB Cc1c(CC(=O)O)c(=O)oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc12 2330144 CUGQVEOVUWXQMB-UHFFFAOYSA-N 393.222 4.614 0 40 GJAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC 2448263 MKYSWXYWWNEOMH-UHFFFAOYSA-N 380.517 4.567 0 40 GJAB COc1cc(C(=O)NC(c2ccccc2)c2ccccc2)cc(Cl)c1OC 3347512 ITMDGEBVQLJRMR-UHFFFAOYSA-N 381.859 4.877 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3393184 UGGFTSXVYUDMET-UHFFFAOYSA-N 389.842 4.600 0 40 GJAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3cccs3)nc2c1 4273272 IMGRFTMRHHQSGT-UHFFFAOYSA-N 381.482 4.608 0 40 GJAB Cc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(F)cc2)cc1 4518173 JVFGQPYFVNRDPT-UHFFFAOYSA-N 393.466 4.691 0 40 GJAB COc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc(Cl)c1O 4571681 CVPDIKIIJDGDON-ZKANADHPSA-N 378.881 4.669 0 40 GJAB CCN1C(=O)S[C@H](Cc2ccc(OCc3ccccc3Cl)cc2)C1=O 6952943 BIYRECHKQHXPPY-QGZVFWFLSA-N 375.877 4.545 0 40 GJAB O=C1CCCN1c1ccccc1NCC(=O)N(c1ccccc1)C1CCCCC1 8194637 TYAZGMISHFSLMN-UHFFFAOYSA-N 391.515 4.591 0 40 GJAB Cc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)O)c(Br)c1 8277859 RLZSENMVBDJWSU-UFWORHAWSA-N 382.641 4.625 0 40 GJAB Cc1cc(C)cc(-n2ccnc2S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1 8725213 PBDFKLLFGPGOCL-HNNXBMFYSA-N 376.485 4.579 0 40 GJAB CCCNC(=O)CC1=C(C)/C(=C\c2ccc([S@](C)=O)cc2)c2ccc(F)cc21 9184301 FWUCKECVFCUPCY-HQHUSCBDSA-N 397.515 4.807 0 40 GJAB CCC(=O)Nc1nc(-c2cccc(NC(=O)/C=C/c3ccccc3)c2)cs1 9356180 QKPFUSYMPAJDAQ-VAWYXSNFSA-N 377.469 4.811 0 40 GJAB O=C(Cc1ccc2c(c1)OCO2)Nc1nc2c(s1)-c1cccc3cccc-2c13 9521515 GXXPLJRUJUMRGZ-UHFFFAOYSA-N 386.432 4.854 0 40 GJAB C[C@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1cc2ccccc2o1 10206485 FZNCZQLBKKVNFT-LBPRGKRZSA-N 378.350 4.892 0 40 GJAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(c2c[nH]c3ccccc23)CC1 10884207 QNLVOBVXPWWOON-NRFANRHFSA-N 380.875 4.531 0 40 GJAB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)c1 11914551 UGMBCNFOEKTVAN-UHFFFAOYSA-N 380.875 4.964 0 40 GJAB O=C(O)c1cc(-c2cccs2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 12396058 VAXNRWDLGGOBEA-UHFFFAOYSA-N 379.416 4.864 0 40 GJAB Cc1nc2cc(NC(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)ccc2o1 12853208 LLHPFUQEVMWRQT-UHFFFAOYSA-N 392.436 4.888 0 40 GJAB O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1ccco1 16493591 ZWPWQPWMDYKJBD-KRWDZBQOSA-N 379.803 4.502 0 40 GJAB CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCN(Cc4ccccc4)CC1)(C2)C3 16778761 ZGMVATRGXBQTCR-UHFFFAOYSA-N 380.576 4.718 0 40 GJAB Cc1cc(C)c2nc(C)c(C(=O)N[C@H](CCN(C)C)c3ccccc3)cc2c1 19715322 OKUDYHIRGVAOBT-JOCHJYFZSA-N 375.516 4.583 0 40 GJAB CCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 21596580 IZESBTLGKQYSRE-UHFFFAOYSA-N 394.862 4.584 0 40 GJAB CN(C)[C@H](CNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccco1 21903080 LZKCHMWKDNUBOL-JOCHJYFZSA-N 385.467 4.528 0 40 GJAB COc1ccc(OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)cc1 23531211 GFFFTFAJIUKHPH-UHFFFAOYSA-N 395.499 4.665 0 40 GJAB COc1ccc(CN(C(=O)c2ccccc2Cl)c2ccccn2)cc1OC 27581095 NSOAWYYMYYLNKS-UHFFFAOYSA-N 382.847 4.599 0 40 GJAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1cccnc1Cl 27813187 ZJPNUWXXBJWDQN-INIZCTEOSA-N 381.888 4.840 0 40 GJAB Cc1cccc(N(C)C(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)c1 32117801 UXVUXSHKYIOBAN-UHFFFAOYSA-N 379.407 4.791 0 40 GJAB CCCCNC(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C 32609876 WHDVORBSVJPDGJ-UHFFFAOYSA-N 385.295 4.765 0 40 GJAB CC[C@@H](C(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1)c1ccccc1 32647533 BECJQIULYQOZRK-QGZVFWFLSA-N 387.842 4.844 0 40 GJAB CCOc1cc(C(=O)N[C@H](CC)c2ccc(Br)cc2)ccc1OC 36758648 SUXJHGDSDJUPLS-MRXNPFEDSA-N 392.293 4.738 0 40 GJAB COCc1cccc(C(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)c1 40121426 PZMWXTDQSGVJHE-INIZCTEOSA-N 383.488 4.654 0 40 GJAB COCc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1 40133064 CCZHYYOKPQGLNW-UHFFFAOYSA-N 392.503 4.771 0 40 GJAB CC(C)c1ccc(OCC(=O)N(Cc2ccsc2)Cc2ccccn2)cc1 44446033 ALUMIOATPJPFJL-UHFFFAOYSA-N 380.513 4.874 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)Nc2cc(Cl)c(Cl)cn2)c1 95962662 DBNQHAHGFLCOJW-UHFFFAOYSA-N 392.242 4.825 0 40 GJAB O=C1CC[C@]2(CCCN(Cc3ccc(F)cc3)CC2)N1Cc1cccc(F)c1 96047553 JDEGDTFOYAKVBX-QHCPKHFHSA-N 384.470 4.512 0 40 GJAB CC(C)COC(=O)N1CCC(N2CC=C(c3c[nH]c4ccccc34)CC2)CC1 97234728 ZCYAIRHYLISPMZ-UHFFFAOYSA-N 381.520 4.514 0 40 GJAB Cc1nc(C2(NC(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)CCCCCC2)no1 103127242 MIEBOWUUVWMNRZ-JZFKGDSASA-N 391.943 4.622 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCS[C@@H](c2ccco2)CC1 207007372 TWBZFELCYKXOEF-QGZVFWFLSA-N 379.909 4.797 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 223034791 XVNXHXPSOWSQHX-GOSISDBHSA-N 399.878 4.514 0 40 GJAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223372602 BXMMCNJBNSKWGS-SFTDATJTSA-N 376.529 4.637 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 223746744 NTDBVOHTWOEHHV-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB O=C(NCCOc1ccc(Cl)cc1)c1ccccc1OCc1ccccc1 224273689 WINVHVBUTSAZGO-UHFFFAOYSA-N 381.859 4.728 0 40 GJAB O=C(NC[C@H]1CCCO1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224959034 PYARJPHMLRGBBF-MRXNPFEDSA-N 382.847 4.571 0 40 GJAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1cccc(Cl)c1Cl 225722921 MSUVSXHLUFBGQF-UHFFFAOYSA-N 381.646 4.600 0 40 GJAB CC(C)Oc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)cc1 225741185 YMSHQGNVQAAPSO-KRWDZBQOSA-N 383.561 4.602 0 40 GJAB CC(=O)N[C@]1(C)C[C@H](c2ccccc2Br)O[C@@H]2C[C@H](C)CC[C@H]21 257263709 LRCUSECMDWKSBT-AQCJLOBTSA-N 380.326 4.610 0 40 GJAB COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3OC)nc2)cc1 408585331 DSJSZUDRMXVSKE-UHFFFAOYSA-N 381.457 4.700 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1Cl 408587967 VHLQMEPTZZDEBA-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1c(F)cccc1Cl 575610445 MYQBDVBBCPIITH-QGZVFWFLSA-N 375.852 4.671 0 40 GJAB CCn1c(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)nc2cc(C(=O)O)ccc21 581196270 MZHUYILVBWYHGW-SBHAEUEKSA-N 389.499 4.523 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)Cc2ccccc2F)CN1c1cccc(F)c1 1615156082 JXFMNWZGBMDRJQ-HSZRJFAPSA-N 384.470 4.557 0 40 GJAB Cc1ccccc1-n1c(SCC(=O)c2ccccc2)nnc1-c1ccncc1 2640309 CZLMDOCSKSYWMF-UHFFFAOYSA-N 386.480 4.613 0 40 GJAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 3309333 QJUFZJPBGFHDBE-UHFFFAOYSA-N 389.451 4.678 0 40 GJAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)cc1 3655285 ZGSNUBCIIQNYAF-UHFFFAOYSA-N 385.419 4.990 0 40 GJAB COc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3Cl)[nH]c2c1 4252275 LQLNEOANLGXIMK-UHFFFAOYSA-N 375.881 4.573 0 40 GJAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)C1(C)C 4717201 ODVRQBMHIDGPLA-QUCCMNQESA-N 395.572 4.697 0 40 GJAB CC1=C(C(=O)OC(C)C)[C@@H](c2cc(F)cc(F)c2)n2c(nc3ccccc32)N1 4742028 YIVDDNBFAOWJSX-LJQANCHMSA-N 383.398 4.555 0 40 GJAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccc(Cl)c3Cl)NC(=O)CN21 5342564 IGNCSMAUGMLLMP-GLCJEOIMSA-N 387.310 4.939 0 40 GJAB Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccsc2)c(C)c1 5483384 JJEZGKOZTQKTFV-OAQYLSRUSA-N 394.471 4.625 0 40 GJAB Cc1cc(=O)oc2cc(NC(=S)N3c4ccc(F)cc4CC[C@H]3C)ccc12 6399724 CUJBDAGZRSRBFP-CYBMUJFWSA-N 382.460 4.779 0 40 GJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccccc3F)c(C)c12 6623913 VJCGSPVVAISOIX-UHFFFAOYSA-N 379.387 4.785 0 40 GJAB biogenic O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)N1CCCCC1 6847586 XITPPQHQNPDECI-UHFFFAOYSA-N 390.405 4.513 0 40 GJAB CCOCCN1C(=O)/C(=C/c2cc(C)c(O)c(C)c2)SC1=Nc1ccccc1 6892189 ORNRGPFVWQNBNQ-NPPZMEKISA-N 396.512 4.650 0 40 GJAB O=S(=O)(Nc1ccccc1Br)c1ccc(Cl)c(Cl)c1 7052526 MHSRYCARNDGZQI-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB COc1ccccc1N(CC(=O)c1ccc(OC(F)F)cc1)C1=NCCCC1 7276443 CVLRKEAGUYTDOU-UHFFFAOYSA-N 388.414 4.568 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cc(C(C)(C)C)no3)cc12 8345727 AWNXZSFIJCHKFH-UHFFFAOYSA-N 380.473 4.933 0 40 GJAB COc1cc(C)c(NC(=O)c2ccc(COc3ccccc3)cc2)cc1OC 8735063 ZRLFMKROAMKDRK-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc21 8959403 PGNVQLUGTOLOBB-UHFFFAOYSA-N 380.488 4.618 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C 9336974 WBDZQODZBODEJD-FQEVSTJZSA-N 378.875 4.722 0 40 GJAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1C(F)(F)F 11070903 BJPVMCONKPKELR-UHFFFAOYSA-N 382.769 4.738 0 40 GJAB CC(=O)C1(c2ccccc2)CCN(C(=O)c2c(C)c3cc(C)ccc3n2C)CC1 12148670 RPXFYWPRKRQJRE-UHFFFAOYSA-N 388.511 4.558 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1cccc2ccccc12 12592031 KDKOTBOCQSXWOR-ZNLUXHQJSA-N 382.500 4.930 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)c2sc(-c3ccsc3)nc2C)c1 12976199 VRLIQYDEVZVHPN-NSHDSACASA-N 388.514 4.688 0 40 GJAB CCc1ccc(-c2csc(NC(=O)COC(=O)c3c(C)oc(C)c3C)n2)cc1 12998739 BWPQPGHWVNQFEC-UHFFFAOYSA-N 398.484 4.686 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1 13720379 MGQCXADQWXZUNX-UHFFFAOYSA-N 385.876 4.983 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ncc(-c2ccc(F)cc2)[nH]1 18457959 AXVGMTASHLXHGZ-ZDUSSCGKSA-N 385.464 4.652 0 40 GJAB CC(C)[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(Cl)cc1 25309797 LURJBDLCAKTSRQ-GOSISDBHSA-N 376.287 4.717 0 40 GJAB COc1ccc(NC(=O)N(C)Cc2ccc(SC)cc2)cc1OC(F)F 40104548 OIHVFAJSJDWMLF-UHFFFAOYSA-N 382.432 4.682 0 40 GJAB O=C(N[C@@H]1CCOc2ccccc21)c1cccnc1SCc1ccc(F)cc1 40131114 GUYDSJQHDZYLGX-LJQANCHMSA-N 394.471 4.767 0 40 GJAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)n1 47318134 ISUSPFGLJJTQMY-UHFFFAOYSA-N 395.462 4.516 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)c1 48262171 QEPHTPDDAHXGMT-FQEVSTJZSA-N 382.435 4.835 0 40 GJAB CN(c1ccccc1)c1ccccc1NCc1cc(=O)n2cc(Cl)ccc2n1 55866433 XWSSIOWVZJKOQM-UHFFFAOYSA-N 390.874 4.728 0 40 GJAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 58341092 WXVWPKHTVYSLTC-GXTWGEPZSA-N 379.378 4.553 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1OC[C@H]1CCCO1)c1ccc(F)cc1 59417099 SYWDAFOQXFPKFD-OAHLLOKOSA-N 383.341 4.655 0 40 GJAB CC[C@H](C)Cc1c(C)sc2[nH]c(SCc3nc(C)c(C)o3)nc(=O)c12 60534471 KFCQRZBVOHWKGA-VIFPVBQESA-N 377.535 4.779 0 40 GJAB Cc1nn(C(C)C)c(C)c1NC(=O)NC[C@@H](CC(C)C)N[C@H](C)c1ccccc1 72277772 OIQZIBDZUKYRRS-DYESRHJHSA-N 399.583 4.968 0 40 GJAB Cc1nc(NCc2cccc(COC3CCOCC3)c2)c2c(C)csc2n1 95941843 NOIDSYNZKJBCFX-UHFFFAOYSA-N 383.517 4.616 0 40 GJAB CC1(C)C[C@]2(c3ccccc3)C[C@H](c3ccccc3)[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)O 104260407 WAFGKPZUKLMZJF-NTOJSVKISA-N 378.468 4.560 0 40 GJAB O=C(CSc1ccc(F)cc1F)Nc1ccc(Br)nc1Cl 134103556 CFCIUPCECFYKHM-UHFFFAOYSA-N 393.640 4.507 0 40 GJAB CSc1ccccc1C(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207015142 OYNYHKXHKOJLQD-CQSZACIVSA-N 399.541 4.615 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 222712197 VGGGSLXMIQMKDB-HOTGVXAUSA-N 379.456 4.502 0 40 GJAB CC[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCC2 223124637 OSCSSOXROFPLOP-NRFANRHFSA-N 379.500 4.537 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(N4CCCCC4)cc3)ccc21 225152661 QZQMCSLNOFQOCN-UHFFFAOYSA-N 395.528 4.887 0 40 GJAB Cn1cc(-c2ccc([C@H]3CCCCN3Cc3ccnc4ccccc34)cn2)cn1 257207092 BGHBNJOQLQIAIC-XMMPIXPASA-N 383.499 4.758 0 40 GJAB Cc1cccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257234763 GUYNLCSOVKYWNR-HXUWFJFHSA-N 395.890 4.990 0 40 GJAB Cc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(F)cc3)n(CC(C)C)n2)c1 257292094 QJYDJSCOMDXJAJ-UHFFFAOYSA-N 382.435 4.784 0 40 GJAB O=S(=O)(c1ccccc1)N(Cc1cccc(Cl)c1)c1ccccc1F 408628274 VTRVRDOOBCVMRQ-UHFFFAOYSA-N 375.852 4.875 0 40 GJAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cccc(OCc2ccccc2)c1 408714280 MWTSTFNQYJTYHZ-UHFFFAOYSA-N 399.450 4.588 0 40 GJAB COc1c(C)cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1C 409039905 XLVYORYWCLHHLS-UYRXBGFRSA-N 397.496 4.736 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)OC(C)(C)C)[C@@](O)(C(F)(F)F)[C@@H]2C1 409362063 RSQHNRCEXYEWSP-QFSBIZTOSA-N 378.435 4.697 0 40 GJAB O=C(NCc1ccccc1CC(F)(F)F)Nc1ccccc1N1CCCC1 626219709 OIFKMPPSICDYBA-UHFFFAOYSA-N 377.410 4.713 0 40 GJAB CC1(C)CO[C@H](c2cccc(F)c2)CN1Cc1ccc2oc(C(=O)O)cc2c1 656765441 MDNCPXXZJVJHBT-FQEVSTJZSA-N 383.419 4.622 0 40 GJAB CSc1ccnc(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)n1 1586642054 XOMVPXNYTFEQOT-UHFFFAOYSA-N 390.443 4.805 0 40 GJAB Cc1ccc([C@@H]2CCN(C(=O)c3ccc4c(c3)CCCC(=O)N4)C2(C)C)cc1 1610942214 OGYLRACGZVUSII-FQEVSTJZSA-N 376.500 4.678 0 40 GJAB COc1ccc(C[C@H](OC)[C@H](O)c2ccccc2)c(OCc2ccccc2)c1 622441 MAJBYSWTUGYQHM-BJKOFHAPSA-N 378.468 4.565 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 728818 GPEMBIDOBMVISP-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(C2CC2)nc2ccccc12 1332659 NQGJADRYMPDQRK-CQSZACIVSA-N 375.497 4.577 0 40 GJAB Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1 3169784 UFWGARJDBQRIAW-UHFFFAOYSA-N 396.497 4.544 0 40 GJAB CCOP(=O)(OCC)[C@H](NC(=S)Nc1ccccc1)c1ccccc1 3195087 WRYROEXJSLVJRF-KRWDZBQOSA-N 378.434 4.938 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)COc1ccccc1Cc1ccccc1 3356560 NFWICBUAFRYKGX-GOSISDBHSA-N 375.468 4.542 0 40 GJAB CCOc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 3380318 XNFWBSSINUJWFU-UHFFFAOYSA-N 391.423 4.673 0 40 GJAB COCCn1c(SCc2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O 3494105 KVLJXOGAMUJGLA-UHFFFAOYSA-N 395.311 4.642 0 40 GJAB CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccco3)sc2c1 4273178 LEXWQFDUJBEIKE-UHFFFAOYSA-N 379.441 4.530 0 40 GJAB COc1ccc(NC(=O)CCCCCCCCCC[C@H]2COCCO2)cc1 4577760 XYOKDQCCBRNXQN-NRFANRHFSA-N 377.525 4.950 0 40 GJAB Cc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@@H]2c2ccccc2)c1 4815018 SOQYXTAHTUZKSM-DHIUTWEWSA-N 394.478 4.968 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4816643 AJRPVOILXHBQOX-OALUTQOASA-N 380.879 4.655 0 40 GJAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)cc1 6441564 ZHATYGGQNCDSDZ-JOCHJYFZSA-N 397.430 4.547 0 40 GJAB Cc1cc(C)c(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)c(C)c1 6747519 HXNFJFBOATXVKO-UHFFFAOYSA-N 381.447 4.952 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112829 BBBQWPLNHMQMQU-HSZRJFAPSA-N 398.466 4.849 0 40 GJAB CCc1ccccc1N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 7928782 CIMNVTGCJBRLID-NRFANRHFSA-N 385.463 4.875 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 8156790 HVKYSPDXGKCWAQ-HNNXBMFYSA-N 375.497 4.726 0 40 GJAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(Oc2ccccc2)c1 9112001 NVNMKDNQHYZBGN-UHFFFAOYSA-N 386.451 4.967 0 40 GJAB CCn1c(SCCOc2ccccc2)nnc1-c1cc2cccc(OC)c2o1 9327841 CMDIOVITMNRVQS-UHFFFAOYSA-N 395.484 4.891 0 40 GJAB CCCCc1nnc(-c2cc3ccccc3n2Cc2ccc(C(=O)OC)cc2)o1 9651437 SLDDBUIGZASZMY-UHFFFAOYSA-N 389.455 4.869 0 40 GJAB O=C(Nc1ccc(Cl)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 12416040 CKRFXWXJYIULHW-UHFFFAOYSA-N 390.826 4.602 0 40 GJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(Cc3ccccc3)C3CC3)c12 12987392 FXDXBSFWCKSCGC-UHFFFAOYSA-N 396.494 4.749 0 40 GJAB CC(C)CC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccco3)n2)cc1 13006997 UDSLBAKANRRNFW-UHFFFAOYSA-N 383.473 4.569 0 40 GJAB COc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1Cl 13011594 DBTHBJQQMXLZDA-UHFFFAOYSA-N 376.243 4.748 0 40 GJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]32)C1 13408423 WEMQGMZMEXLVDS-KAKDVIIHSA-N 378.553 4.950 0 40 GJAB O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccc(Cl)cc1 14187872 NUTRWMXDHCMZGE-MRXNPFEDSA-N 385.794 4.973 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccccc2)cc(C)c1Cl 14397998 GFWPSAISDMTMEC-INIZCTEOSA-N 377.937 4.774 0 40 GJAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 14400257 HUTZPDCBEHOTIY-UHFFFAOYSA-N 394.515 4.855 0 40 GJAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(Br)cc1F 14729931 JZHHLJVQDJFRCY-UHFFFAOYSA-N 393.039 4.913 0 40 GJAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 17081390 JMJXZVUNVBQREH-NIHZBZNOSA-N 397.858 4.984 0 40 GJAB CCOc1ccc(N2CCn3c(SCc4cc(C)ccc4C)nnc32)cc1 17307777 NRSASXJMRQVIJR-UHFFFAOYSA-N 380.517 4.738 0 40 GJAB Cc1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)cc1 19210325 LLQNTDXASJLBID-YPAWHYETSA-N 396.600 4.919 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1cccc(Cl)c1 20493705 QGLAKWRQSVMRMN-SFHVURJKSA-N 381.900 4.686 0 40 GJAB CCn1cc(C(=O)Nc2ccccc2Cl)c(=O)c2cc(C(F)(F)F)ccc21 22236753 USEVTLJNEIESQZ-UHFFFAOYSA-N 394.780 4.946 0 40 GJAB COc1ccc(Cl)c2sc(N(C[C@H]3CCCO3)C(=O)C3CCCC3)nc12 23108280 DWAYSPISFGKHEC-CYBMUJFWSA-N 394.924 4.661 0 40 GJAB C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(Br)cc4)no3)ccc2O1 28286933 YWJDVQWYLASFEW-NSHDSACASA-N 399.244 4.680 0 40 GJAB Cc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccccc1 28527836 LYHSRXGEICNATC-UHFFFAOYSA-N 375.476 4.552 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 28580920 LCCSAZZGGCVONE-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB CC(C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O 32790745 YHJLYJXSEYYYJO-UYRXBGFRSA-N 398.553 4.946 0 40 GJAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)ccc1O 36354723 NGUZLVXEAUEWGE-LBPRGKRZSA-N 387.798 4.503 0 40 GJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)c(OC)c1 36359480 RCLXXJSDYQPGAR-INIZCTEOSA-N 383.835 4.667 0 40 GJAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3Br)cc2)C1 38834919 RVMXJGPEHOHGGT-OAHLLOKOSA-N 387.321 4.933 0 40 GJAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 40113094 WITNEHMGIAAUBL-LBPRGKRZSA-N 389.883 4.688 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1-n1ccnc1 44880001 XUJQGIVLDGEBMZ-UHFFFAOYSA-N 381.479 4.711 0 40 GJAB CCn1ncc2c(C(=O)N(C3CC3)[C@H](C)C3CC3)cc(-c3cccs3)nc21 46056227 JPYAPMBCKVAYJB-CYBMUJFWSA-N 380.517 4.583 0 40 GJAB CN(C(=O)c1ccc(NC(=O)NCc2ccoc2)cc1Cl)C1CCCCC1 47805051 LZPNAIGCZSTDMY-UHFFFAOYSA-N 389.883 4.659 0 40 GJAB O=C(CNCc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 52537348 OQGHKLQYRLRXOE-UHFFFAOYSA-N 377.193 4.741 0 40 GJAB COc1cccc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)c1 67259220 BEDMJWRGWKECNZ-UHFFFAOYSA-N 388.492 4.729 0 40 GJAB Cc1nc2ccc(NCC(=O)Nc3ccc(Br)cc3C)cc2s1 69450225 IWVCPAKTKHGQLJ-UHFFFAOYSA-N 390.306 4.726 0 40 GJAB Cc1noc(C(F)(F)F)c1C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 72308023 MHSSQLAKPLEIPL-CYBMUJFWSA-N 388.389 4.952 0 40 GJAB CCn1ccnc1CN1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72350304 NDQRRKKMRMJAMA-LJQANCHMSA-N 394.950 4.922 0 40 GJAB FC(F)(F)c1cccc(-c2cncc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 72359402 QFFMXPQCCWEANL-SFHVURJKSA-N 398.432 4.937 0 40 GJAB Cc1cccc(Nc2cncc([C@H]3CCCN3Cc3ccc4ncccc4c3)n2)n1 72376336 FGTQBKBKOWHJQV-JOCHJYFZSA-N 396.498 4.809 0 40 GJAB COc1ccc(CN2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 72376769 HWJKRBSHGDITMN-OAQYLSRUSA-N 392.478 4.601 0 40 GJAB COc1cccc(F)c1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 78903031 BQKCZRFRCOMBPN-UHFFFAOYSA-N 379.366 4.769 0 40 GJAB O=C(Nc1ccc(-c2ccccc2)cn1)C1(c2cccc(F)c2)CCOCC1 84562652 GIBKZDCMSHJMMW-UHFFFAOYSA-N 376.431 4.575 0 40 GJAB O=c1c2cc(Br)cc(F)c2ncn1Cc1cc2ccccc2s1 95468113 SBVXGURPRXAWCE-UHFFFAOYSA-N 389.249 4.561 0 40 GJAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2COC(=O)CC[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 100362799 IWMSSVYTWMLNDF-OTNPIUTOSA-N 388.548 4.593 0 40 GJAB CC(C)c1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4cccnc4)C3=C(O)C2)cc1 102402297 YFDKDMBEMLIUAD-PGRDOPGGSA-N 385.471 4.862 0 40 GJAB CO[C@H](CNC(=O)CCc1ccccc1Br)c1ccccc1Cl 206852108 BSFFQZGKXRGJCX-QGZVFWFLSA-N 396.712 4.539 0 40 GJAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222548250 ZHGXXSIBOVTSEZ-HSZRJFAPSA-N 394.559 4.507 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223099328 XDAYFQMDYJOADI-PKTZIBPZSA-N 381.516 4.999 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223099379 XDAYFQMDYJOADI-GOTSBHOMSA-N 381.516 4.999 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c(C)c1 223127197 GWPHMTZVZZXVMM-UHFFFAOYSA-N 383.469 4.905 0 40 GJAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(Br)cc1 224731728 UWBPKUPXCYZVPG-UHFFFAOYSA-N 388.714 4.626 0 40 GJAB COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)ccc1Cl 225476943 RZBTYZJMXCVHAA-ZDUSSCGKSA-N 376.909 4.791 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCCN(CC)CC)cc2)CCC(C)CC1 225668448 ODSQWGRXFRHOQX-UHFFFAOYSA-N 390.568 4.721 0 40 GJAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCOC)cc1 225742710 HIICNNOUZNMAQM-UHFFFAOYSA-N 379.541 4.908 0 40 GJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225840675 VKYZEQXXKNJBGO-QFIPXVFZSA-N 393.524 4.820 0 40 GJAB C[C@@H](Cc1cc2ccccc2o1)NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 245053481 OWCIJZXKECTWBE-ZDUSSCGKSA-N 397.418 4.502 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)[nH]2)c1 253566243 IRWWXDPTHDUHMA-UHFFFAOYSA-N 396.560 4.620 0 40 GJAB CC(C)CC(=O)N1CCC[C@@H]1c1ccc(C(=O)O)c(CCCc2ccccc2)n1 257336451 YOMIKJQYLTZTRM-JOCHJYFZSA-N 394.515 4.665 0 40 GJAB CC(C)Oc1cccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c1 260740015 ROZCRVSIXXBXSX-QGZVFWFLSA-N 383.561 4.602 0 40 GJAB COc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c2ccccc12 260763101 INABBNDUOORNBW-XMDBHEJHSA-N 375.497 4.833 0 40 GJAB CC(C)Sc1nnc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)s1 260772616 VEZJISYRRKDPLK-AWEZNQCLSA-N 390.578 4.523 0 40 GJAB Cc1cccc(COc2ccccc2/C=C2\NC(=O)N(C3CCCCC3)C2=O)c1 409080814 OJNCQFZEEQRJRN-QNGOZBTKSA-N 390.483 4.799 0 40 GJAB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccccc1 409199344 CBPQYUIROKBDRE-FOWTUZBSSA-N 377.387 4.984 0 40 GJAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 2037845565 CIKLCRLVALHONM-IBGZPJMESA-N 385.467 4.767 0 40 GJAB O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc2c(c1)OCO2 704926 GCLJPKLHDJYKDA-XMMPIXPASA-N 396.446 4.685 0 40 GJAB COc1ccc(-c2csc(N3CCC[C@H]3C(=O)OCc3ccccc3)n2)cc1 1102651 FMAKBFIGCKNFAX-FQEVSTJZSA-N 394.496 4.531 0 40 GJAB CCOc1ccc2[nH]c(=O)c(-c3nc4ccccn4c3NC3CCCC3)cc2c1 1330326 CKKBAPQXRNUIFR-UHFFFAOYSA-N 388.471 4.596 0 40 GJAB O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(I)cc1 1952332 TWTYOFGTWUNAOP-RUDMXATFSA-N 383.616 4.597 0 40 GJAB Cc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)c(C)c1 2247257 JZQCYKLQAWYCQP-UHFFFAOYSA-N 388.471 4.728 0 40 GJAB Cc1sc2ncnc(S[C@@H](C)C(=O)NCCC3=CCCCC3)c2c1C 2624006 OULODZNTNJRLEO-AWEZNQCLSA-N 375.563 4.795 0 40 GJAB O=C(COC(=O)c1ccco1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 3327519 LDVQGQLJAVHENU-UHFFFAOYSA-N 397.239 4.505 0 40 GJAB CC(C)CN(C(=O)c1ccc(N2CCCC2=O)cc1)c1nc2ccccc2s1 3382636 BGOPNRRPGSSKDV-UHFFFAOYSA-N 393.512 4.726 0 40 GJAB O=C(COC(=O)c1ccccc1Nc1ccc(F)cc1)c1ccc(F)c(F)c1 3434267 CMAHIVWYKITQLP-UHFFFAOYSA-N 385.341 4.887 0 40 GJAB COc1ccc(CNCC[C@@]2(Cc3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1 4006313 BWDBVIZIEPZRRP-CZSZKKDXSA-N 380.576 4.764 0 40 GJAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1nccs1 4059657 PGZBYZSNZQTPID-UHFFFAOYSA-N 379.510 4.877 0 40 GJAB aggregator Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)Cc1ccc(F)cc1 4063089 RBEACWWFUJPMDQ-UHFFFAOYSA-N 377.444 4.987 0 40 GJAB CC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 4354017 BNWFFXNDQFAQJZ-UHFFFAOYSA-N 394.427 4.789 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 5147296 NHNJGPDBZKBSDG-AWEZNQCLSA-N 391.471 4.722 0 40 GJAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)c1 5217462 NSRJWEIWAMQCKX-QDSKXPNFSA-N 399.506 4.711 0 40 GJAB CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1 6355175 OBFHQVDHBSDOFQ-UHFFFAOYSA-N 375.424 4.548 0 40 GJAB CCOC(=O)c1sc(NC(=O)c2cccc(Oc3ccccc3)c2)nc1C 6509809 QYRNRJPLTGOBCH-UHFFFAOYSA-N 382.441 4.673 0 40 GJAB COc1ccc(CCN(C)C(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC 6602325 WQDCHJQTDZAOTQ-UHFFFAOYSA-N 389.495 4.614 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 6839719 XEORPAUJMQDEET-UHFFFAOYSA-N 387.785 4.947 0 40 GJAB CCCN1C(=O)S[C@H](Cc2ccccc2OCc2ccc(Cl)cc2)C1=O 6879266 XUURUHLUSJRZCP-GOSISDBHSA-N 389.904 4.936 0 40 GJAB COc1cc(CNC(C)(C)C)cc(Br)c1OCc1ccccc1 6882499 CVAXCULECDDTFI-UHFFFAOYSA-N 378.310 4.925 0 40 GJAB COc1ccc(SCC(=O)c2cc(C)c(OC(=S)N(C)C)c(C)c2)cc1 6922123 UAARTVGZOCIWFT-UHFFFAOYSA-N 389.542 4.512 0 40 GJAB COc1ccc(-c2csc3ncnc(NCCCn4nc(C)cc4C)c23)cc1 7975822 OHQICMJYVOYNEA-UHFFFAOYSA-N 393.516 4.682 0 40 GJAB CCc1ccc([C@H](CNc2nc(C(F)(F)F)nc3ccccc23)N(C)C)cc1 7989434 MTKWLELVFSBWIP-SFHVURJKSA-N 388.437 4.926 0 40 GJAB COc1cc(C)c(NC(=O)CCCOc2ccc(Cl)cc2C)cc1OC 8723917 IOMDVSWXZBJCSE-UHFFFAOYSA-N 377.868 4.772 0 40 GJAB CCOc1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)cc1 10448514 GRMPNRRORVYUHG-UHFFFAOYSA-N 384.328 4.942 0 40 GJAB COc1cc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc(OC)c1OC 10960362 UODAQOIVYHOGAG-UHFFFAOYSA-N 397.515 4.506 0 40 GJAB O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccnc2ccc(Cl)cc12 12193478 SBBPTPYNWYLQSH-UHFFFAOYSA-N 398.850 4.722 0 40 GJAB CN(Cc1ccccc1Cl)Cn1ncn(-c2cccc(Cl)c2)c1=S 13073788 LWLUQMSBHHQEAB-UHFFFAOYSA-N 379.316 4.800 0 40 GJAB CC(C)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1 15883214 YWPMLSZLGMKZFO-UHFFFAOYSA-N 380.875 4.926 0 40 GJAB Cc1ccc(-c2nnc([C@H]3CCCN3Cc3cccc4cccnc34)o2)s1 19217753 AJLZZPDGAYIIPQ-QGZVFWFLSA-N 376.485 4.992 0 40 GJAB Cc1ccccc1-n1nc(C)c(-c2cncn2CCN(C)C2CCCC2)c1C 19719658 JSUFACFQXATJIU-UHFFFAOYSA-N 377.536 4.535 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccccc2Cl)c1 22519985 TWUZNIFRDIVEKX-KRWDZBQOSA-N 375.852 4.621 0 40 GJAB O=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1occc1COc1ccccc1 23054535 BOPAWZHSEXUDDE-UHFFFAOYSA-N 394.402 4.599 0 40 GJAB CCOc1ccccc1C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1C 24838915 RANJFLPNQIGFIH-UHFFFAOYSA-N 390.487 4.631 0 40 GJAB O=C(NCc1coc(-c2cccs2)n1)c1cccnc1Oc1ccccc1 25514648 BIXORDBJVWHLGQ-UHFFFAOYSA-N 377.425 4.520 0 40 GJAB CC(=O)c1c[nH]c(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1 26366888 JYJUSUNDZBZUSF-UHFFFAOYSA-N 394.283 4.824 0 40 GJAB CNC(=O)c1ccc(CN(Cc2ccc(SC)cc2)Cc2ccco2)cc1 26925472 NCYWZHGXKQOKCZ-UHFFFAOYSA-N 380.513 4.564 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Cc1ccccc1 27978224 FAIHCSCFKZGNAU-OAQYLSRUSA-N 389.451 4.802 0 40 GJAB O=C(c1ccc(Br)cc1)N(Cc1cccc(F)c1)c1ccccn1 28291434 JCFREEUWMGEEGF-UHFFFAOYSA-N 385.236 4.830 0 40 GJAB CCC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc3ccccc3c2)cc1 28919629 DRHLEGUHSPKJRN-JTSKRJEESA-N 377.484 4.523 0 40 GJAB Cc1cccc(Cn2nccc2NC(=O)CSCc2ccc(Cl)s2)c1 30527342 ZMDSOEUNDPMTAG-UHFFFAOYSA-N 391.949 4.827 0 40 GJAB COc1ccc(NC(=O)CCCc2cccs2)cc1OCc1ccncc1 32832291 BSXVGTNYPRJNGW-UHFFFAOYSA-N 382.485 4.692 0 40 GJAB CSc1ccc(Cc2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)cc1 35588351 ZBHAMIFVHMGYMQ-UHFFFAOYSA-N 393.390 4.653 0 40 GJAB CCOC(=O)c1cc(NC(=O)c2cc3ccccc3cc2OC)ccc1Cl 38753317 QLXVYKNAVXSUAM-UHFFFAOYSA-N 383.831 4.931 0 40 GJAB CC(C)(C)c1ccc(SCc2nc(CNC(=O)c3ccccc3)no2)cc1 40060191 QTQIOMAGAHUKJX-UHFFFAOYSA-N 381.501 4.589 0 40 GJAB COc1cc([C@H](C)n2c(=S)[nH]c3ccccc3c2=O)ccc1OCC(C)C 40087764 WWKHBEZDDNHAQZ-AWEZNQCLSA-N 384.501 4.712 0 40 GJAB CC[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccs1 40156980 LZYQHSPVBPOOFA-IBGZPJMESA-N 399.537 4.603 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccccc2C)cc1OCC 44884945 KSTJYAFNVKQMRO-PKOBYXMFSA-N 385.504 4.827 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2Cc3ccccc3O2)cc1 48301771 SHAOGAQMXMTXTQ-IBGZPJMESA-N 390.439 4.613 0 40 GJAB Cc1cc(=O)oc2cc(NCC(=O)N[C@H](C)c3ccc4ccccc4c3)ccc12 57661344 AKTBTCHAWBVISF-MRXNPFEDSA-N 386.451 4.544 0 40 GJAB COc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c(C(F)(F)F)c1 58356222 DETVBKJBQXMCTA-UHFFFAOYSA-N 391.349 4.688 0 40 GJAB COc1ccccc1N1CC[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 58407595 DFDRMHFZEGHEDI-LBPRGKRZSA-N 385.817 4.701 0 40 GJAB COC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1Cl 62715850 AXIAIMBLPYGXIC-RMKNXTFCSA-N 381.653 4.868 0 40 GJAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1 70640036 CACSRFNUOTZUOW-FQEVSTJZSA-N 399.412 4.687 0 40 GJAB O=C(CSCc1ccccc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200151 PTGYVFSGJHTHRH-UXHICEINSA-N 398.528 4.596 0 40 GJAB CC(C)n1cc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc21 95477707 KONXIJMUBZCEIF-UHFFFAOYSA-N 396.918 4.999 0 40 GJAB O=S(=O)(/C=C/c1ccccc1)N1CCS[C@H](c2ccccc2Cl)CC1 207001320 RATMYVBMHVPNPH-LSSBLYJVSA-N 393.961 4.821 0 40 GJAB O=C(c1ccc(Cl)s1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207016279 LSVDDILIZJCVIT-LLVKDONJSA-N 393.921 4.608 0 40 GJAB CCn1c(S/C(=C\c2ccccc2)C(=O)O)nnc1-c1ccc(Cl)cc1 211521797 AIKIDELRCJOBLE-VBKFSLOCSA-N 385.876 4.836 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1cccc(OC)c1 216365308 RULQPLATFXUIJZ-QHCPKHFHSA-N 377.484 4.755 0 40 GJAB C[C@H]1Cc2ccccc2N1CCCNC(=O)CCc1ccc(Cl)cc1Cl 225379092 DXOOEYOGBAUKMM-HNNXBMFYSA-N 391.342 4.884 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1C 225659903 WQQQPNNYJDEQJA-OAHLLOKOSA-N 384.545 4.824 0 40 GJAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)N1CCCCCC1 225832690 CBXJHSYKARWITM-UHFFFAOYSA-N 375.472 4.739 0 40 GJAB COc1ccc(C2(NC(=S)Nc3ccc(F)c(F)c3)CCCC2)cc1OC 225860657 NZIKPNSKPIVPHZ-UHFFFAOYSA-N 392.471 4.738 0 40 GJAB COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1N 226365446 XUTVSPKYQPQYLK-UHFFFAOYSA-N 387.233 4.552 0 40 GJAB Cc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3cccc4[nH]ccc34)C2)n1 257330974 XQVPKTNUCSQEMZ-GOSISDBHSA-N 386.499 4.899 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 408705341 COMXVMSKEGDHRF-HNNXBMFYSA-N 388.895 4.503 0 40 GJAB Cc1ccc(F)cc1S(=O)(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 1185078555 RVAJPIOQCUBVBK-NRFANRHFSA-N 387.451 4.683 0 40 GJAB CCCc1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 1665323136 CZJWDSCQRIBHEL-SFHVURJKSA-N 385.895 4.610 0 40 GJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1C 674569 VVXSVTMQXGDOJS-QGZVFWFLSA-N 390.270 4.602 0 40 GJAB COc1ccc(-n2cnc3cc(NCc4nc5ccccc5n4C)ccc32)cc1 862247 IFYXBNJKIJBBKW-UHFFFAOYSA-N 383.455 4.533 0 40 GJAB CCOc1ccc(-c2csc3ncn(Cc4cccc(C)c4)c(=O)c23)cc1 955184 KJQLUUFGRQHSHR-UHFFFAOYSA-N 376.481 4.880 0 40 GJAB CCC1(CCC(C)C)C(=O)N(c2ccccc2)C(=N)N(c2ccccc2)C1=O 1752428 XRFHZCIOCVBKAL-UHFFFAOYSA-N 377.488 4.834 0 40 GJAB CCCCc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 2115472 IDALTEZGSIILCO-UHFFFAOYSA-N 375.468 4.981 0 40 GJAB biogenic Fc1ccc(OCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 2190769 XBZWKXOCMAHJDG-UHFFFAOYSA-N 396.428 4.826 0 40 GJAB COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc(OC)c1OC 2648692 MJDHBCLHISXVAO-FNORWQNLSA-N 382.243 4.671 0 40 GJAB CCCOc1ccc(-c2csc(NC(=O)C(C)(C)C)c2C(=O)OC)cc1 2889616 UKYLMGAGVOKFOQ-UHFFFAOYSA-N 375.490 4.975 0 40 GJAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCSc2ccccc21 3447366 SFMUYAVJPPZXKZ-UHFFFAOYSA-N 393.839 4.660 0 40 GJAB Cc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 4064652 QKQZEKKTBGAMSI-OYDLWJJNSA-N 379.500 4.592 0 40 GJAB biogenic O[C@@]1(c2ccc(Cl)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 4086883 BBWZNGGTTBGHBI-HXUWFJFHSA-N 376.307 4.644 0 40 GJAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)NCCCOC)c2c1 4610391 WEHWTJYBFDUKNW-UHFFFAOYSA-N 382.891 4.884 0 40 GJAB Cc1cc(C)cc(-n2c(SCc3c(C)noc3C)nc3ccccc3c2=O)c1 4978476 XRMCHAFZXPNVAY-UHFFFAOYSA-N 391.496 4.900 0 40 GJAB Cc1ccc(SCC(=O)N(CCN(C)C)c2nc3c(C)cccc3s2)cc1 5239607 VSIGCJMCGULLGF-UHFFFAOYSA-N 399.585 4.600 0 40 GJAB O=C(CSc1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2 5557236 JGDKNPVKVWNSTJ-UHFFFAOYSA-N 380.351 4.626 0 40 GJAB O=C(COc1ccccc1F)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 5859576 KDOQADMEGDIJSB-UHFFFAOYSA-N 383.463 4.795 0 40 GJAB CN(C)[C@@H](CNC(=S)Nc1ccc(SC(F)F)cc1)c1ccccc1 6027016 UKKMRDJTDPHJBM-INIZCTEOSA-N 381.517 4.591 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(Cc2ccccc2)o1 6544107 ICFZLVRKPMJVSH-AWEZNQCLSA-N 377.469 4.814 0 40 GJAB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccc(Cl)c1Cl 6615786 HOBHFQVDLARQEK-UHFFFAOYSA-N 394.327 4.720 0 40 GJAB Cc1ccc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccccc2)cc1 6818786 QXNCKBFQGXRIGE-UHFFFAOYSA-N 377.513 4.838 0 40 GJAB C[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 6880995 RUUSNCVZPWZRDU-LBPRGKRZSA-N 385.722 4.956 0 40 GJAB COc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(OC)cc32)cc1 6973431 WJUPDHNHEBDTIR-UHFFFAOYSA-N 391.858 4.791 0 40 GJAB CCn1c(SCc2ccccc2Cl)nnc1-c1cccc(NC(C)=O)c1 7605126 BIIKFWJKOUAFOZ-UHFFFAOYSA-N 386.908 4.869 0 40 GJAB O=C(c1ccc(Br)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8104806 KNZRGKPKDARPMO-LLVKDONJSA-N 391.290 4.672 0 40 GJAB COc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1OC 8277472 IWPTUDYJOIFNNN-LICLKQGHSA-N 388.876 4.557 0 40 GJAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 10434322 MCSJQRTZYMKBEQ-UHFFFAOYSA-N 386.495 4.539 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n23)c1 11903166 ZJYKGCYLKGXNCS-UHFFFAOYSA-N 376.485 4.539 0 40 GJAB COc1ccc(-c2csc3ncn(CCCOc4ccccc4)c(=O)c23)cc1 12908889 OFKROSHCYAAMKI-UHFFFAOYSA-N 392.480 4.603 0 40 GJAB O=C(COc1ccccc1F)N1N=C(c2cccs2)C[C@H]1c1cccs1 12911708 IPGKOSSWODFRAZ-HNNXBMFYSA-N 386.473 4.705 0 40 GJAB Cc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2)c1 13617516 AIPOKCXHLQTGAJ-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@H]1CCOc2ccccc21 14780400 BLPJAAWSTDHHFO-KRWDZBQOSA-N 382.847 4.568 0 40 GJAB CSc1nc2ccc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)cc2s1 14849376 OXMAOCMBEMLTDE-ZDUSSCGKSA-N 397.525 4.548 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 18204722 MMVCSKZALNEQFG-OLZOCXBDSA-N 379.909 4.715 0 40 GJAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(Cc3cccc(OC)c3)CC2)C1 19712784 MJZVSMXIRLRJRS-UPVQGACJSA-N 394.559 4.560 0 40 GJAB CC(C)(C)c1ccc(Cn2c(=N)n(CC(=O)c3ccco3)c3ccccc32)cc1 19879809 AWMBPGXSYHCLLT-UHFFFAOYSA-N 387.483 4.744 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)CCSc1ccc(Cl)cc1 20462022 QOXZHVGLOMONPF-UHFFFAOYSA-N 385.920 4.633 0 40 GJAB COc1ccc(NC(=O)c2ccc(CN3CCc4sccc4C3)cc2)cc1 22277759 ZNVXEHNFOAXYDR-UHFFFAOYSA-N 378.497 4.567 0 40 GJAB Cc1ccc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 22914094 CHCPZCILLURIOI-UHFFFAOYSA-N 398.550 4.861 0 40 GJAB CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 23379499 NMKAQEJTGZACOM-NJKRNUQASA-N 388.555 4.855 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 29269064 VFXZTUADJHKVPA-JUXOCIIHSA-N 397.563 4.746 0 40 GJAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cc(Cl)ccc1Cl)C(C)C 30683456 PXGQABZMAROKLT-KRWDZBQOSA-N 379.287 4.695 0 40 GJAB COc1cccc(OC)c1OC(=O)Cc1csc(-c2ccccc2Cl)n1 32740625 HFIIYDITAVEJSL-UHFFFAOYSA-N 389.860 4.629 0 40 GJAB CCOc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 40021995 IAHVEZFVAMXKTJ-HKWRFOASSA-N 392.480 4.556 0 40 GJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)c1 44880906 HHCRCQWUHZUAMJ-INIZCTEOSA-N 377.937 4.941 0 40 GJAB CC(C)Oc1cccc(CNC(=O)c2ccc(CN3CCCCCC3)cc2)c1 44882677 RUOYRLVUKSBKQI-UHFFFAOYSA-N 380.532 4.780 0 40 GJAB C[C@@H](NC(=O)c1csc(-c2ncccn2)n1)c1cc(F)c(Cl)cc1Cl 54059851 ZMXOBOFGUAYPGE-MRVPVSSYSA-N 397.262 4.537 0 40 GJAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NCCCOCC(C)C)(C4)C2)C3)cc1 58137104 HIPUOXBJBBYQPW-KVEMZPMDSA-N 399.575 4.712 0 40 GJAB C[C@@]1(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)CC1(Cl)Cl 58406784 NAWJSUGRVYLTSD-LBPRGKRZSA-N 399.221 4.760 0 40 GJAB CCCn1cc(-c2nc(-c3ccc(OCC)cc3)no2)c(=O)c2cc(C)ccc21 64963688 GYZCIFIMHLOICK-UHFFFAOYSA-N 389.455 4.836 0 40 GJAB CCOCCCn1c(SCc2ccccc2Cl)nc2ccccc2c1=O 67259177 SUVUTHMVHFXFMZ-UHFFFAOYSA-N 388.920 4.769 0 40 GJAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccccc1Cl 67295455 XQHNISBZUWHBPV-FLFQWRMESA-N 378.815 4.842 0 40 GJAB O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(c2nc3ccccc3s2)CC1 69968898 DJZGBSMOSPFTAI-LJQANCHMSA-N 383.561 4.694 0 40 GJAB CCOc1ccccc1[C@H](CC(C)C)Nc1ccc2nnc(C(F)(F)F)n2n1 72307342 OVPGMBLGOAMMBV-AWEZNQCLSA-N 393.413 4.741 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72357984 KPAROJXLLWZHJL-QHCPKHFHSA-N 392.449 4.857 0 40 GJAB C[C@H]1CN(c2ccccc2CN2CCCCC[C@@H]2c2ccncc2)C[C@@H](C)O1 95453809 VAJSQJIBUOOABE-ZRCGQRJVSA-N 379.548 4.813 0 40 GJAB C[C@@H](Nc1ccc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1)C(=O)O 95944441 CEOYOBQXKVABCW-MRXNPFEDSA-N 375.424 4.596 0 40 GJAB Cc1cc(NC(=O)c2oc3c(Cl)cccc3c2C)ccc1N1C(=O)CCC1=O 95958851 SFYKGFNEIZOLGA-UHFFFAOYSA-N 396.830 4.609 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NCC2CC2)c2ccccc23)o1 96052671 ASKIBQGGIYBFLA-FQEVSTJZSA-N 392.543 4.525 0 40 GJAB CCOc1ccccc1NC(=S)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423298 GQNWADDWAZLEBY-WOJBJXKFSA-N 395.572 4.567 0 40 GJAB FC(F)(F)C12C[C@H]3C[C@@H](CC(NCc4cccc(-n5cccn5)c4)(C3)C1)C2 102299702 OGWZUIKEOGBJND-NXMBOHNASA-N 375.438 4.863 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)COc2ccccc2C(C)(C)C)cc1 222798434 DVCCASXAJHGPLG-UHFFFAOYSA-N 383.532 4.899 0 40 GJAB CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2 223015026 BJFROKSFJCJXCO-PAGBRTJLSA-N 379.500 4.863 0 40 GJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1 224199508 CFGOGAKVMIRLCA-NHCUHLMSSA-N 376.529 4.522 0 40 GJAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224479941 VIGOPHGTRWDHOA-OALUTQOASA-N 382.920 4.734 0 40 GJAB COc1ccc(OC[C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225320124 QFDNYLJKXALFTP-ZDUSSCGKSA-N 382.287 4.518 0 40 GJAB CCOc1ccccc1NC(=S)NCCCSCc1ccc(F)cc1 225614608 BEKINYRPFWUQEK-UHFFFAOYSA-N 378.538 4.834 0 40 GJAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC[C@H]2C)c(Br)c1 226284906 CISFSXBDAHSUJQ-LLVKDONJSA-N 393.247 4.743 0 40 GJAB CC(C)Cn1cnc2c1C1(CCN(Cc3nccs3)CC1)Oc1ccccc1-2 306131954 KTURPGVVNHXAQN-UHFFFAOYSA-N 394.544 4.546 0 40 GJAB CCOc1ccc2cc(C3=CS[C](Nc4ccc(F)cc4)N3)c(=O)oc2c1 409416312 AVDBFCMMPIBJGK-UHFFFAOYSA-N 383.424 4.525 0 40 GJAB C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1c(C(=O)O)oc2ccccc12 568066358 YFCBCIIJEDRJTM-ORAYPTAESA-N 385.847 4.746 0 40 GJAB O=C(COc1ccc(F)cc1Cl)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 618117780 LUHHVXFAJHPENO-HNNXBMFYSA-N 386.854 4.745 0 40 GJAB O=C(COc1ccc(F)cc1Cl)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 618117781 LUHHVXFAJHPENO-OAHLLOKOSA-N 386.854 4.745 0 40 GJAB OCC[C@@H](Nc1ncnc2[nH]c3cc(F)ccc3c12)c1ccc(Cl)c(F)c1 630062702 BFVHBFKLFDSHNI-OAHLLOKOSA-N 388.805 4.578 0 40 GJAB CCCCNC(=O)c1ccc2c(c1)Cc1cccc(c1)CN(C)CCCCCO2 643579896 JOHXLQZDMYLYON-UHFFFAOYSA-N 394.559 4.802 0 40 GJAB Cc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)cccc2C)cc1N1CCNC1=O 666917246 MXHGJDNMIJFSKW-LJQANCHMSA-N 392.503 4.510 0 40 GJAB COc1ccc(-n2nnnc2-c2cnc3ccccc3c2-c2ccccc2)cc1 721412 CFKNMCBWMVVKRA-UHFFFAOYSA-N 379.423 4.553 0 40 GJAB COc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)c1cccs1 806934 UXLVPMBIQPAHQX-UHFFFAOYSA-N 380.469 4.878 0 40 GJAB CCC(=O)N(Cc1ccccc1Cl)Cc1cc2ccc(C)c(C)c2[nH]c1=O 1359474 NYYDGOYHYLUIHO-UHFFFAOYSA-N 382.891 4.737 0 40 GJAB Cc1cccc(CSc2nc(C(F)(F)F)cc(=O)n2-c2ccccc2)c1 1394864 JNUHFENNCMMYPG-UHFFFAOYSA-N 376.403 4.852 0 40 GJAB CCCCc1ccc(NC(=O)CSc2nccn2-c2cccc(OC)c2)cc1 2723140 IUNMHXRVFOCJNC-UHFFFAOYSA-N 395.528 4.954 0 40 GJAB O=C(NCCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 3087482 YWMCOOOPTITUBH-UHFFFAOYSA-N 393.314 4.714 0 40 GJAB COc1cccc([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)c1OC 3120625 HSKMFDCQHIEQDI-DNQXCXABSA-N 390.435 4.606 0 40 GJAB CCCOc1c(Cl)cc(C(=O)Nc2cc(OC)ccc2OC)cc1OCC 3388806 WFULCKDGWGFASA-UHFFFAOYSA-N 393.867 4.797 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1CCCc2ccccc21 3446988 GIVHXACDDDAPML-LJQANCHMSA-N 379.891 4.701 0 40 GJAB O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)c2ccco2)cc1 3764483 RKNMMUJPEGNVRE-UHFFFAOYSA-N 386.407 4.703 0 40 GJAB O=C(Nc1c(-c2ccccc2)nc2ncccn12)c1ccc(C(F)(F)F)cc1 4033772 GBBUOQFBMNEIKJ-UHFFFAOYSA-N 382.345 4.667 0 40 GJAB Fc1ccc(N2COc3c(Br)cc(Br)cc3C2)cc1 4052122 SHKJRBBDPRGBAW-UHFFFAOYSA-N 387.046 4.707 0 40 GJAB COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(C(C)C)cc1 4679078 JDSBQCBUZXJWHC-UHFFFAOYSA-N 393.487 4.661 0 40 GJAB COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)N(c2ccccc2)C3=O)cc1 4889050 LHBFUCKFXVFDJI-QHCPKHFHSA-N 381.435 4.835 0 40 GJAB Fc1ccc(C(CCCn2nnc(-c3ccncc3)n2)c2ccc(F)cc2)cc1 4967361 OPKHKJBTWZPPME-UHFFFAOYSA-N 391.425 4.626 0 40 GJAB Cc1ccc2[nH]c(SCC(=O)Nc3ccc(C)c(Br)c3)nc2c1 5357795 QNUPQSYEXAPABY-UHFFFAOYSA-N 390.306 4.673 0 40 GJAB CCc1ccc(C(=O)CSc2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 6006598 LWHHXJPGYPAZAS-UHFFFAOYSA-N 387.892 4.575 0 40 GJAB COc1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1F 6531292 YXMQLBJFKRVLAP-UHFFFAOYSA-N 384.476 4.952 0 40 GJAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2cccs2)cc1 6661806 JYYSUWIBHKONAE-JOCHJYFZSA-N 390.508 4.794 0 40 GJAB C[C@@H](NC(=O)CSc1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 7021734 VGFUYFULDTVCEB-CQSZACIVSA-N 383.469 4.564 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 7882239 KLHWXFNUIZSKRJ-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)c1nccnc1-c1nc2ccccc2s1 7920533 KCTJJSHTQAOOKS-INIZCTEOSA-N 386.480 4.561 0 40 GJAB S=c1n(CN2CCC[C@H]2c2cccs2)nc(-c2ccncc2)n1C1CC1 8114118 CNXJNLPDYDVUKR-INIZCTEOSA-N 383.546 4.667 0 40 GJAB CC(C)c1ccc(-c2nnc(NC(=O)C[C@H]3OC(=O)c4ccccc43)s2)cc1 9548945 VBPJOBRXANNTRK-QGZVFWFLSA-N 393.468 4.569 0 40 GJAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc2c1C 10213706 PCLRVDQJTRDMEB-NRFANRHFSA-N 390.483 4.923 0 40 GJAB Cc1cc(OCC(=O)N(Cc2sccc2C)C[C@@H]2CCCO2)ccc1Cl 12062938 KWOKLIKYYCSMHG-KRWDZBQOSA-N 393.936 4.605 0 40 GJAB CC(=O)N(c1cccc2ccccc12)[C@H]1SC(=O)N(c2cccc(C)c2)C1=O 12136826 XQWJPUUIKWGKCB-NRFANRHFSA-N 390.464 4.727 0 40 GJAB C/C=C/c1ccc(Oc2ccc3nnc(-c4ccccc4OC)n3n2)c(OC)c1 12390557 PTCCWCUKVHTPEI-QPJJXVBHSA-N 388.427 4.634 0 40 GJAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 12542301 SNCFHZBTKWTZJN-UHFFFAOYSA-N 396.859 4.782 0 40 GJAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(Oc2ccccc2)cc1 12625982 RNZRKZOECKSSKH-UHFFFAOYSA-N 383.451 4.654 0 40 GJAB Cc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c(Br)c1 12746098 XVWZUWOVNPNDLG-ZDUSSCGKSA-N 388.261 4.760 0 40 GJAB Cc1sc(NC(=O)c2cnc3c(cnn3C(C)C)c2)nc1-c1ccccc1 12755636 DISGDYJFCAPSTC-UHFFFAOYSA-N 377.473 4.696 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)NCCc1ccc(-n2cccn2)cc1 12915136 XXNXWXLGYBKDCE-UHFFFAOYSA-N 395.506 4.753 0 40 GJAB COc1cc(OC)c(C[C@H]2C(=O)N(c3ccccc3)c3ccccc32)c(OC)c1 15018278 AGHCPQBDKIYNCR-LJQANCHMSA-N 389.451 4.717 0 40 GJAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1 15517427 YKFNERQUXAVNDB-DEOSSOPVSA-N 389.543 4.957 0 40 GJAB O=C(O)c1ccc(CNCc2cccc(OCc3ccccc3Cl)c2)cc1 16450071 LYKQHLLNHIYMOK-UHFFFAOYSA-N 381.859 4.907 0 40 GJAB CSc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 16832773 DDKFJYQNFOIFRF-OAHLLOKOSA-N 388.920 4.553 0 40 GJAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC 20043172 FDJXVESYRWROGG-QWHCGFSZSA-N 379.909 4.715 0 40 GJAB Cc1sc2nc(SCc3ccccc3Br)n(C)c(=O)c2c1C 20343392 XNUVWHIVRPMXOS-UHFFFAOYSA-N 395.347 4.667 0 40 GJAB CCOc1cc(CNCCN(CC)CC)cc(Cl)c1OCc1ccccc1 22075641 IURVRJUJNYKADP-UHFFFAOYSA-N 390.955 4.749 0 40 GJAB CSc1ccccc1NC(=O)CN(C)Cc1coc(-c2ccc(C)cc2C)n1 31042677 ZEWMATCSMNVCLB-UHFFFAOYSA-N 395.528 4.751 0 40 GJAB Cc1cc(OCC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)ccc1Cl 32594067 GPNPQZOBSPGBDH-UHFFFAOYSA-N 397.862 4.595 0 40 GJAB Fc1ccccc1Nc1nnc(SCc2nccn2Cc2ccccc2)s1 32778934 SUZPWRWKWDTVLR-UHFFFAOYSA-N 397.504 4.958 0 40 GJAB O=C(CCC(=O)N1CCC[C@@H]1c1cccs1)c1ccc(Br)cc1 32988700 HVBGZOKICYBTEP-OAHLLOKOSA-N 392.318 4.837 0 40 GJAB CC(C)c1ccc2c(c1)CCCN2C(=O)C1CCN(C(=O)c2cccs2)CC1 40090490 QJNFQMBAVHYYQV-UHFFFAOYSA-N 396.556 4.703 0 40 GJAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(N2CCCCC2)cc1 44874681 WWPIKJMXHUEOBO-UHFFFAOYSA-N 391.559 4.593 0 40 GJAB CC(C)C[C@@H]1N[C@H](C(=O)NC2CCCC2)Cc2cn(CC3CC3)c3cccc1c23 49171534 XDVAWRHOCZDBRW-VXKWHMMOSA-N 393.575 4.712 0 40 GJAB biogenic,in-vitro CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1ccccc1OCc1ccccn1 49546468 CSTLUCZDIXOCII-QGZVFWFLSA-N 376.460 4.736 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)n1 61108557 RFKPSQIIKXXZER-UHFFFAOYSA-N 384.277 4.563 0 40 GJAB Cc1ccc(C)c2c(C)c(C(=O)O[C@H](C)C(=O)Nc3cccnc3Cl)oc12 64172382 DLIGAAGTTZUVBI-CYBMUJFWSA-N 386.835 4.590 0 40 GJAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3C)ccc21 65322206 SMQLOQNOIBVACI-UHFFFAOYSA-N 390.531 4.993 0 40 GJAB COc1ccc(CSc2nnc(C)n2CCc2cccs2)c(Cl)c1 72300663 MTZIGTSGVGYULL-UHFFFAOYSA-N 379.938 4.845 0 40 GJAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1)C1CCC1 72330596 YJEJBOYWILOFSN-KNQAVFIVSA-N 397.950 4.605 0 40 GJAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(C(=O)Cc3ccncc3)C2)n1 72356117 VHLOATWZEVZKPQ-XMMPIXPASA-N 399.538 4.633 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccncc2)C12CCCCC2 79464261 XJZMFYHIRLPWPM-UTKZUKDTSA-N 391.515 4.761 0 40 GJAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(F)c(C(F)(F)F)c1 95381724 ZFXHABJSDFWQQE-BEFAXECRSA-N 392.396 4.601 0 40 GJAB CCOc1ccccc1/C=C1\SC(=O)N(CCOc2ccc(C)cc2)C1=O 106781884 LZECSSHCDNZFDB-RGEXLXHISA-N 383.469 4.509 0 40 GJAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)o1 222761446 AHAYNXYVNKKUNP-RTBURBONSA-N 383.904 4.906 0 40 GJAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C 223380127 IBTMIBYGPWLORS-FCHUYYIVSA-N 390.556 4.693 0 40 GJAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1C(C)C 223389919 CPSVVONTCKSWOL-HNNXBMFYSA-N 379.497 4.614 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc2ccccc2c1 223622368 BAEXFQMJOCZSIR-FQEVSTJZSA-N 383.875 4.846 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C 225571214 MSYQNXOSBGGOGJ-UHFFFAOYSA-N 380.488 4.662 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225699515 ZTLSKJDAZGGXMC-QFIPXVFZSA-N 378.557 4.721 0 40 GJAB Cc1noc(C)c1-c1cccc(C2CCN(Cc3nccn3C(C)C)CC2)n1 257208535 BMNQGMGCMWLTMG-UHFFFAOYSA-N 379.508 4.510 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c(C)c1 408604957 JHPPISWOLDNRSD-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(CSCc1c(F)cccc1Cl)NCCSCc1ccccc1 409407441 FWWMGCJXJAXLDB-UHFFFAOYSA-N 383.941 4.762 0 40 GJAB CC[C@@H]1CN(Cc2nc3cc(C(=O)O)ccc3n2CC)CC[C@@H]1c1ccccc1 571768814 OLPZHBFBHGKOHO-XLIONFOSSA-N 391.515 4.770 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@@H]2[C@@H](C1)CN2CC1CCCCC1 585108041 XOMRSLXDYZPEBI-BDKRGJGYSA-N 386.967 4.557 0 40 GJAB CCOC1CC2(CCN(Cc3cc(C)c(OCc4ccccn4)c(C)c3)C2)C1 685444869 KHLNSVARVOFFFP-UHFFFAOYSA-N 380.532 4.668 0 40 GJAB C[C@H](O)c1ccc(CNC(=O)Nc2ccc(Oc3ccccc3F)cc2)cc1 1673011911 GOVUKAIHTUJXTJ-HNNXBMFYSA-N 380.419 4.993 0 40 GJAB CCOc1ccc(Cc2n[nH]c3c2C(=O)C[C@@H](c2ccccc2)C3)cc1OCC 1080804 OBUCJKDRAQOVAI-SFHVURJKSA-N 390.483 4.711 0 40 GJAB O=C(O)c1ccccc1N1C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2C1=O 1266796 BRBYXKGFQSYBON-UHFFFAOYSA-N 393.782 4.631 0 40 GJAB O=C(C[C@@H](c1ccc(Br)cc1)n1cccc1)NC1CCCCC1 1393776 RDJZURILYBGGBE-SFHVURJKSA-N 375.310 4.679 0 40 GJAB Cc1ccc(C)c(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2C)c1 2149621 DQUPLLQJGAIJDY-UHFFFAOYSA-N 380.440 4.623 0 40 GJAB biogenic CCC[C@@H]1Cc2c(sc3nc(SCc4ccc(F)cc4)nc(N)c23)CO1 2240518 NNUPDFKXBAAAEI-CYBMUJFWSA-N 389.521 4.946 0 40 GJAB CCOc1ccc([C@H](NC(=O)Cc2ccccc2)c2ccc(OC)cc2)cc1 2291364 ZMMWEUATRUQKDV-XMMPIXPASA-N 375.468 4.542 0 40 GJAB Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1-c1ccccc1 2291467 AGLXWHSHFLAICN-UHFFFAOYSA-N 397.413 4.547 0 40 GJAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccccc3C(F)(F)F)ccc12 3072159 KFHAMWMYTOBEEW-GFCCVEGCSA-N 391.345 4.526 0 40 GJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 4741916 SMKUUHPCDZRREQ-JOCHJYFZSA-N 396.450 4.670 0 40 GJAB CSc1nnc(CNC(=O)N(c2ccccc2)c2ccccc2)n1C(C)C 5001664 JJQQQKQGCIZDIV-UHFFFAOYSA-N 381.505 4.629 0 40 GJAB CC(C)CC(=O)Nc1ccc(C(=O)COc2ccccc2Br)cc1 5037984 DSDJYVHBQGQUMY-UHFFFAOYSA-N 390.277 4.695 0 40 GJAB COc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 5256081 NCDOZVIKSLUTMU-FQEVSTJZSA-N 381.863 4.787 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(I)cc2C)cc1Cl 6033846 LWAZVAAMBDXLPU-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB O=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1 6133802 AWBGTNLEGLCLIJ-UHFFFAOYSA-N 383.860 4.684 0 40 GJAB COc1ccc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1Cl 6441627 AANVPQFIBVRGLR-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB COC(=O)c1ccc(-c2c(Nc3ccccc3)oc3cc(C)oc(=O)c23)cc1 6672727 JIIFBABJZFJYTF-UHFFFAOYSA-N 375.380 4.892 0 40 GJAB CCOC(=O)c1c(NC(=O)Cc2coc3ccc(CC)cc23)sc2c1CCC2 6809823 HMBSMLRFIQDOIK-UHFFFAOYSA-N 397.496 4.903 0 40 GJAB aggregator O=C(c1cccc(F)c1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 7424480 CJEFQDRIDGYVCO-UHFFFAOYSA-N 398.438 4.508 0 40 GJAB CCN(CC)Cc1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1 7828457 YTXJXXFGUHWVJV-UHFFFAOYSA-N 386.539 4.977 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1cccc(Cl)c1 8041547 IKYFTXDXERWPJD-KRWDZBQOSA-N 393.936 4.556 0 40 GJAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CC[C@@H]2CCCC[C@@H]2C1 8095276 UUMIHGXKSHQLCC-AZUAARDMSA-N 386.499 4.587 0 40 GJAB CC(C)[C@H]1C[C@](CCNCc2ccc3c(c2)OCO3)(Cc2ccccc2)CCO1 9476634 YMQSMSKDVMKHQY-RPBOFIJWSA-N 395.543 4.959 0 40 GJAB O=C(Oc1ccccc1[C@H]1CC(=O)n2c(nc3ccccc32)C1)c1ccccc1 9517188 UFJSLSGPCLQKMB-QGZVFWFLSA-N 382.419 4.626 0 40 GJAB Oc1nc(SC/C=C/c2ccccc2)nc2c1cnn2-c1cccc(Cl)c1 9521190 HEYIQMNCPUJNFE-VMPITWQZSA-N 394.887 4.980 0 40 GJAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccccc1N1CCCCC1 10237477 HOASRHKIGICOJQ-UHFFFAOYSA-N 384.348 4.554 0 40 GJAB COc1ccc2nc(SCC(=O)Nc3ccccc3SC(F)F)[nH]c2c1 11329397 DDAUARLXDYQSCB-UHFFFAOYSA-N 395.456 4.617 0 40 GJAB c1ccc(CN2CCC(CN[C@H](Cc3ccsc3)c3nccs3)CC2)cc1 12226461 ULNRSJKQQQHYNF-OAQYLSRUSA-N 397.613 4.990 0 40 GJAB Cc1nc(-c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)co1 12775200 NMDQSXYBYYCJJS-UHFFFAOYSA-N 383.256 4.758 0 40 GJAB Cc1sc(NC(=O)c2cnc3c(cnn3C(C)C)c2)nc1-c1ccc(F)cc1 12915851 NQRRSOKNDMOWOM-UHFFFAOYSA-N 395.463 4.836 0 40 GJAB CN(Cc1cccc(Cl)c1)C(=O)c1cc2cc(Br)ccc2[nH]1 12924655 PXQCPNOKZSPMLF-UHFFFAOYSA-N 377.669 4.856 0 40 GJAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc3ccccc23)C1 12935011 XYSLWWRXOSDZTM-GOSISDBHSA-N 399.494 4.603 0 40 GJAB Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1 13012609 PLZURHUBNKTVGP-UHFFFAOYSA-N 390.508 4.816 0 40 GJAB Cc1ccc(NC(=O)c2c(C)nc(Nc3nc(C)c(C)s3)nc2C)c(C)c1 13610760 WNVRKFRXIBKYAG-UHFFFAOYSA-N 381.505 4.780 0 40 GJAB CCCCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)c2cccnc12 15841102 QPGOYZQTVOVNNP-INIZCTEOSA-N 394.471 4.828 0 40 GJAB CCCCCOc1ccc([C@@](C)(O)[C@@H](CN2CCOCC2)c2ccccc2)cc1 15942313 PATRGQJCCXOKSK-LOSJGSFVSA-N 397.559 4.579 0 40 GJAB COc1ccc(Cl)cc1-n1c(N)c(C(=O)N2CCCCCC2)sc1=S 16960156 XRZMLARANKNEDB-UHFFFAOYSA-N 397.953 4.529 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)CC)cc1 17270859 KFAPEFFNBOKFHR-UHFFFAOYSA-N 380.488 4.807 0 40 GJAB CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 19081720 XLJKFBDXIWDMBR-IFMALSPDSA-N 397.538 4.869 0 40 GJAB COc1cccc(-c2cnc(N[C@H]3CCc4ccccc43)nc2-c2nccn2C)c1 19291623 USKWBCFHMRCOHV-NRFANRHFSA-N 397.482 4.652 0 40 GJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 19842057 XIOVGIACXQEKEO-UHFFFAOYSA-N 395.506 4.793 0 40 GJAB COc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4cccc(C)c4)nc32)c1 21801272 GLYDKJKLVVKZTG-UHFFFAOYSA-N 383.455 4.669 0 40 GJAB O=C(Cn1c(SC(F)F)nc2ccccc21)N1CCC[C@@H]1c1ccccc1 22328712 DPJDANQRSMRVDW-MRXNPFEDSA-N 387.455 4.715 0 40 GJAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2nc(-c3ccccc3)no2)o1 23186813 SCDKSXKKGQUHBJ-LBPRGKRZSA-N 398.419 4.691 0 40 GJAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccc(-c2ccc(F)cc2)o1 23266143 QTPVODMHVRIBML-UHFFFAOYSA-N 382.322 4.632 0 40 GJAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](c2nc3ccccc3o2)C1 24666214 YSNTZTBWXHMIIA-UONOGXRCSA-N 380.473 4.880 0 40 GJAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccsc3)s2)cc1 24754292 YPDDFNJNWRJDHQ-ZSOIEALJSA-N 375.906 4.575 0 40 GJAB CC(=O)Nc1cccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)c1 26013005 CMXCCACSLCPBKQ-UHFFFAOYSA-N 378.403 4.615 0 40 GJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c(C)c1 28236090 SGYQJFUTIUPZCY-WCQYABFASA-N 387.833 4.919 0 40 GJAB Cc1ccc(F)c(NC(=O)c2ccccc2OCc2cn3ccccc3n2)c1 29853891 MXUFRVOVJDVUDI-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB Cc1nc(NC(=O)CCCc2cccs2)sc1-c1nccn1C(F)F 32899768 SNMRIBJGPPQLMF-UHFFFAOYSA-N 382.461 4.733 0 40 GJAB C[C@H](NC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(F)cc1 32933016 XRTLDNAKGLMFQV-INIZCTEOSA-N 391.446 4.638 0 40 GJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3Br)c12 36617385 HYZVYUPWHKSQMO-UHFFFAOYSA-N 398.216 4.806 0 40 GJAB O=C(Cc1csc(-c2cccs2)n1)NCCSCc1cccs1 39517251 GFKPOYQUWQVISB-UHFFFAOYSA-N 380.585 4.525 0 40 GJAB CCc1ccc(CN(Cn2nc(-c3ccccc3F)n(C)c2=S)C2CC2)cc1 40091191 QKLATZMHUKILHH-UHFFFAOYSA-N 396.535 4.942 0 40 GJAB CC(C)c1noc([C@H](C)N2CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)n1 40152870 MUTVRXGSUWLRKX-IRXDYDNUSA-N 394.560 4.612 0 40 GJAB O=C(c1ccc(OCc2nc(C3CC3)cs2)cc1)N1CCc2ccccc21 56907785 WTKGAMUBCGHHJQ-UHFFFAOYSA-N 376.481 4.802 0 40 GJAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1c[nH]c2ccccc12 57364713 JSSINBPDZPKWFY-OAHLLOKOSA-N 375.497 4.840 0 40 GJAB O=c1nc2n(c3ccccc13)CC/C2=C\c1ccc(OCc2ccccc2)cc1 58133864 AXMMXAPWUYOVAJ-CAPFRKAQSA-N 380.447 4.920 0 40 GJAB COc1ccc2c(c1)S[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)C(O)=N2 61719604 AUDPANAQOPVUPU-HNNXBMFYSA-N 396.390 4.805 0 40 GJAB CC(C)c1cc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)nn1C(C)(C)C 69393426 UZVFNBFDBYCBED-JOCHJYFZSA-N 390.531 4.808 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(C(=S)Nc4ccccc4OC)CC3)c2c1 89467043 FQGZVHVIQCWMOD-UHFFFAOYSA-N 393.512 4.671 0 40 GJAB COc1ccccc1[C@@H]1SC(C)=Nc2c1c(O)nn2[C@H]1CCOC(C)(C)C1 95475595 HYTRLZZPWOBMGQ-GUYCJALGSA-N 387.505 4.614 0 40 GJAB Cc1ccc(-c2noc([C@H]3CCCN3C(=O)Cc3ccccc3Cl)n2)cc1 98212194 CMRHBNJZCROIMO-GOSISDBHSA-N 381.863 4.605 0 40 GJAB CCc1oc2ccccc2c1CN1C[C@@H]2CCC[C@@H](C1)C2(O)c1ccccn1 100149054 DWZTVNRHGAYTQO-ROUUACIJSA-N 376.500 4.510 0 40 GJAB O=C(c1cc(Br)cs1)N1CCS[C@@H](c2ccccc2)CC1 208042683 FIIWRZTXAVOLAU-CQSZACIVSA-N 382.348 4.831 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)N1CCS[C@H](c2ccccc2Cl)CC1 208047074 LWMNDRDVVWZZJH-SFHVURJKSA-N 390.892 4.781 0 40 GJAB CCCc1nc(S/C(=C\c2ccc(OCC)c3ccccc23)C(=O)O)n[nH]1 213382822 SKIRYSJZMRLHEZ-ATVHPVEESA-N 383.473 4.527 0 40 GJAB COc1ccc(-c2ncc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)c(C)n2)cc1 223146768 ZZUBDQTWQWUCKA-ZDUSSCGKSA-N 381.863 4.605 0 40 GJAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)c(C)c1 224913777 BQXBQRYYZJOTGE-PMACEKPBSA-N 380.492 4.528 0 40 GJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC(Cc2ccccc2)CC1 225007213 YLCIPOOLPKEDQL-LJQANCHMSA-N 377.528 4.814 0 40 GJAB Cc1cc2nnn(C(=O)COc3c(C)cc(Cl)cc3Cl)c2cc1Cl 226359956 XGSPUKKJMVNZBL-UHFFFAOYSA-N 384.650 4.728 0 40 GJAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(F)cc2)c1 408700095 YUOBREFEFIKGFC-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CC1(C(=O)N2CCC[C@H](c3cccc(-c4cnc5ccc(Cl)cn45)n3)C2)CC1 585263050 XHPUPVGIFSNNFW-HNNXBMFYSA-N 394.906 4.556 0 40 GJAB Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3Cl)cc2)nn1 1543921646 OXRQJSZJEWASEL-HXUWFJFHSA-N 391.902 4.953 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)c2ccc(F)c(F)c2)CN1c1ccc(F)cc1 1615119724 JJBQSZIRLWNMMJ-JOCHJYFZSA-N 388.433 4.768 0 40 GJAB CC(C)(C)c1ccc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1 641699 XKENYPSNHOWLLO-QGZVFWFLSA-N 392.484 4.663 0 40 GJAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1 650427 DEWYHTPVTOAGSF-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB Cc1cccc(Cn2c([C@@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)c1 703869 XHNUHXFFHLIKJY-HXUWFJFHSA-N 381.479 4.914 0 40 GJAB CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4cccc(Cl)c4)c(=O)c23)C1 1784994 RVXBYXHZDYSAJQ-ZDUSSCGKSA-N 387.936 4.706 0 40 GJAB CCCCc1ccc2nc(NC(=S)NC(=O)Cc3ccccc3)sc2c1 1838925 XZVNRNQVXCLPJE-UHFFFAOYSA-N 383.542 4.695 0 40 GJAB CCOc1ccc(C2=CN3C(=NN2)SC(C)=C3c2ccc(OC)cc2)cc1 2272617 QUPSUUGIKBVBTP-UHFFFAOYSA-N 379.485 4.704 0 40 GJAB CCCCCOc1cccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)c1 3999940 UVRAHFZNMLZKNC-MIFWMJNYSA-N 390.527 4.893 0 40 GJAB biogenic Cc1cc2cc3c(cc2nc1SCC(=O)c1ccc(Cl)cc1)OCCO3 4170914 JVWSBWOSLIHIPR-UHFFFAOYSA-N 385.872 4.943 0 40 GJAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C(C)C)cc2)n2ncnc2N1 4598079 MWVDJEDZXCTDKA-HXUWFJFHSA-N 380.492 4.566 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N2CCCC[C@H]2Cc2ccccc2)cc1 4709723 WCTMWBKBTGPFSP-FQEVSTJZSA-N 382.529 4.657 0 40 GJAB Cc1ccccc1-n1nc2c(c1NC(=O)Cc1ccc(Cl)cc1)CSC2 5077584 YGIZISSOAAZNAZ-UHFFFAOYSA-N 383.904 4.762 0 40 GJAB O=C(Nc1ccc(-c2nnc(S)s2)cc1)c1cccc(Br)c1 5274870 DNPVEQOPVQVOJV-UHFFFAOYSA-N 392.303 4.509 0 40 GJAB CCOC(=O)Cc1csc(NC(=O)N(c2ccccc2)c2ccccc2)n1 5717007 IQYYDXVOWQTEKU-UHFFFAOYSA-N 381.457 4.619 0 40 GJAB Clc1ccc(COc2c(Cl)cc(Cl)cc2CNn2cnnc2)cc1 5895026 VKBAEEDZFFGTIC-UHFFFAOYSA-N 383.666 4.561 0 40 GJAB CC(C)[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O 6918727 GGNHOATWPGNTLZ-QGZVFWFLSA-N 383.904 4.888 0 40 GJAB CCOc1ccc(-c2ccc3nnc(SCc4ccccc4F)n3n2)cc1 7509929 OYUWIXNVMRBYFI-UHFFFAOYSA-N 380.448 4.621 0 40 GJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2C)n1CC 7653170 ACXVIHVJFVRAOZ-UHFFFAOYSA-N 394.544 4.875 0 40 GJAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc(-c2ccccc2)cc1 7852077 FNZOODOUZPSXBO-UHFFFAOYSA-N 390.512 4.888 0 40 GJAB Clc1ccc(-c2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)cc1 8186553 PGQPRHDJSVAAMH-SFHVURJKSA-N 385.920 4.918 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 8320693 LNDFVXZSZVCFFW-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB CCOc1ccc([C@@H]2NC(=O)NC3=C2CCc2ccccc23)cc1Br 9331772 LBCPSFFDGCASFR-SFHVURJKSA-N 399.288 4.559 0 40 GJAB CCCC[C@@H](Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1)C(=O)O 9340534 BHRCIWCVAHAOHM-GOSISDBHSA-N 397.500 4.678 0 40 GJAB Cc1ccc(NC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)c(O)c1 10372406 XVBUUDNHGBMGKI-UHFFFAOYSA-N 385.423 4.978 0 40 GJAB CC(C)[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1cccs1 10855169 QPNQETFAFGRWKF-SFHVURJKSA-N 399.541 4.513 0 40 GJAB COc1ccc(-c2n[nH]cc2CNC2(c3ccc(OC)cc3)CCCC2)cc1 12147628 MIZVYJYBKSJKAV-UHFFFAOYSA-N 377.488 4.653 0 40 GJAB CC[C@@H](C(=O)Nc1cc(C)nn1CC1CCCCC1)n1cnc2ccccc21 12148452 HRNMHBQKIQTPGR-IBGZPJMESA-N 379.508 4.711 0 40 GJAB CCOc1ccc(-n2ccnc(SCc3ccc(F)cc3Cl)c2=O)cc1 12361017 ZXTNGOPFOCQESX-UHFFFAOYSA-N 390.867 4.716 0 40 GJAB CSCC[C@@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2[nH]1 12547402 UAVWKVOCQPUGPQ-LJQANCHMSA-N 392.528 4.518 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H](c2ccccc2)C2CC2)cc1 12749413 WJKBXKSBKIQKMR-OAQYLSRUSA-N 380.488 4.844 0 40 GJAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 12853757 CYRVSKABEBBUGX-KRWDZBQOSA-N 386.300 4.528 0 40 GJAB CCOc1cc2c(cc1CN1CCC(c3nc4ccccc4o3)CC1)O[C@@H](C)C2 12872627 FTGPBUDOFFUUKQ-INIZCTEOSA-N 392.499 4.930 0 40 GJAB Cc1cc(Nc2cccc(F)c2)n2nc(C34CC5CC(CC(C5)C3)C4)nc2n1 13364741 PTQLFEFSDSAJNB-UHFFFAOYSA-N 377.467 4.783 0 40 GJAB O=C(CSc1nc2ccccc2s1)OCc1cc(-c2cccs2)on1 15754768 CCLDHBLKTWVRRI-UHFFFAOYSA-N 388.495 4.848 0 40 GJAB CC(C)(C)CC(C)(C)NC(=O)c1cc2cc(Br)ccc2oc1=N 17077522 RPDJCHCIPCZOHW-UHFFFAOYSA-N 379.298 4.619 0 40 GJAB O=C(CCCNC(=O)c1cccs1)Nc1ccccc1Oc1ccccc1 19164896 WMNPLPWTIJGGQD-UHFFFAOYSA-N 380.469 4.689 0 40 GJAB CCC(=O)N1CCCc2cc(NC(=O)Nc3cc(Cl)ccc3OC)ccc21 22504711 NGWVLCHXTSEHRM-UHFFFAOYSA-N 387.867 4.682 0 40 GJAB CC(C)c1ccc(CN2CCN([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 22802662 MCMBNVLGFJEKHO-KRWDZBQOSA-N 396.560 4.800 0 40 GJAB CCN(Cc1cccc(F)c1)C(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C 24654425 SZLKMAFMXXGEQD-BUHFOSPRSA-N 377.463 4.690 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)C[C@H]3Oc4ccccc4NC3=O)ccc21 28344883 QCBOOTFARYUKGX-JOCHJYFZSA-N 399.450 4.543 0 40 GJAB Cc1cccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)no2)c1 28580722 RCCSIYGSKAXOEG-HNNXBMFYSA-N 379.460 4.749 0 40 GJAB Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@H](c1cccnc1)CC(O)=N2 31819873 ZFTOYVFEQFUOHZ-ZDUSSCGKSA-N 381.432 4.967 0 40 GJAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CCCN1C(=O)c1ccccc1 32759955 JUTPCJNPEDRWSE-JOCHJYFZSA-N 385.467 4.674 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)cc1Cl 36616367 WCAJLAQBWXCUDJ-UHFFFAOYSA-N 392.846 4.550 0 40 GJAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1nc2ccccc2s1 38715138 XALZRWXQILGXAM-UHFFFAOYSA-N 387.420 4.907 0 40 GJAB Cc1ccc(-c2nnc(CCC(=O)N(Cc3ccccc3)c3ccccn3)o2)cc1 40034526 QEZOHGDZZNMCLG-UHFFFAOYSA-N 398.466 4.606 0 40 GJAB C[C@H]1CCCC[C@H]1n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392410 CRWVUTIIXCUSJJ-SUMWQHHRSA-N 393.878 4.511 0 40 GJAB CCc1cccc2c(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=S)N3C)c[nH]c12 44599053 CBXNXEKDVRQPKT-NDENLUEZSA-N 389.524 4.952 0 40 GJAB Cc1nc(C)c([C@H](C)NC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)s1 56603172 CQNAWVPNKMIHBU-JTQLQIEISA-N 386.443 4.727 0 40 GJAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 57315894 VNRVXJKEBGCPNI-UHFFFAOYSA-N 396.531 4.617 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)c1C 59176067 BUPCPDBFTFJBGH-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1ccc2ccccc2c1 59294336 JUJSONATRPCJBT-UHFFFAOYSA-N 398.900 4.625 0 40 GJAB Cc1cc(C(=O)COC(=O)c2cccnc2Nc2cccc(F)c2)c(C)s1 61563521 CTLWTBDPDRTGTC-UHFFFAOYSA-N 384.432 4.682 0 40 GJAB O=C(N[C@H]1C[C@@H]1c1ccccc1)C1(c2ccc(Cl)cc2Cl)CCOCC1 67516520 YPKXMTSUBDLWLO-APWZRJJASA-N 390.310 4.714 0 40 GJAB Cc1ccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)c(Br)c1 71405921 OXGLIMMPQFZOFM-ZDUSSCGKSA-N 392.680 4.533 0 40 GJAB CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1F 79023182 LZPPPJSKGBUKHX-LJQANCHMSA-N 383.467 4.537 0 40 GJAB Cc1ccc2cc(C(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)c(C)nc2c1 89665897 HDOKDJYPWATNLE-YLJYHZDGSA-N 380.513 4.641 0 40 GJAB O=C(CN1CCc2ccccc2C1)Nc1nc(-c2cc3ccccc3o2)cs1 96931028 XWLFEECASLNBSR-UHFFFAOYSA-N 389.480 4.553 0 40 GJAB CCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2c(C)ccc(OC)c21 101061486 FOSLHRMGQMPQRO-ZPHPHTNESA-N 380.922 4.886 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@H]2c2cccc(F)c2)C[C@H](c2cccs2)C1 102739443 HFJDMGIHTIYPSS-GTNSWQLSSA-N 382.420 4.899 0 40 GJAB COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C(=O)/C2=C/Nc1ccccc1 102977991 BPNIFMFNPPVJLP-PXLXIMEGSA-N 384.435 4.644 0 40 GJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@@]4(C)[C@@H](CC[C@@H]4C(C)(C)O)[C@@H]3CC[C@@H]2C1 118934311 JIYNJJIOOKOMSE-MHAISPHKSA-N 390.564 4.527 0 40 GJAB CCOc1cccc2sc(NC(=O)c3n[nH]c4c3C[C@@H](C(C)(C)C)CC4)nc12 141558331 FGGWVVDDZSLDHS-LBPRGKRZSA-N 398.532 4.821 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 222931278 RMGXHVGADZRGJS-LEWJYISDSA-N 394.519 4.640 0 40 GJAB COC(=O)c1cc2cc(NC(=O)c3ccccc3Br)ccc2s1 223091334 OXEOIQDNIHTERB-UHFFFAOYSA-N 390.258 4.703 0 40 GJAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 224139108 OZFZCJKMTTXHFJ-KRWDZBQOSA-N 375.896 4.536 0 40 GJAB Cc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c(C)c1 224701584 ZTIZZGGGYRYKCZ-UHFFFAOYSA-N 377.488 4.923 0 40 GJAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224902270 VTXDIOGFCBHOBS-UHFFFAOYSA-N 394.496 4.527 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225262816 RBTNVUUFFUJDDC-UHFFFAOYSA-N 385.423 4.577 0 40 GJAB O=C(c1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1)N1CCCCC1 225462372 FGLPSCUDQGEDMX-OAQYLSRUSA-N 393.556 4.677 0 40 GJAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1Cl 225573338 WSEPNBSLAYEGPI-UHFFFAOYSA-N 377.843 4.565 0 40 GJAB CCO[C@](C)(C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1)C1CC1 225725943 ZIZFXQVYPPABJX-FQEVSTJZSA-N 383.916 4.678 0 40 GJAB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 408627203 LFYKJXBAROOOBQ-UHFFFAOYSA-N 391.496 4.561 0 40 GJAB O=C(O)Cc1sc(=Nc2cccc(Cl)c2Cl)[nH]c1-c1ccccc1 408897665 SKNZVIRNASSGCY-UHFFFAOYSA-N 379.268 4.910 0 40 GJAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C)cc1 932921 RZABVFLLSCHJKI-UHFFFAOYSA-N 393.512 4.931 0 40 GJAB CC(=O)N(c1ccc2ccccc2c1)[C@H]1SC(=O)N(c2cccc(C)c2)C1=O 998206 RGBRHXYXKLYWIF-NRFANRHFSA-N 390.464 4.727 0 40 GJAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccc(F)cc1F 2220884 FYWJTOGSRBXHSR-UHFFFAOYSA-N 391.468 4.579 0 40 GJAB Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccc(Cl)c1 2369091 BTNOASCYJRRAIT-UHFFFAOYSA-N 385.707 4.911 0 40 GJAB CCOC(=O)c1c(NC(=O)c2noc3c2CCc2ccccc2-3)sc(C)c1C 2466003 AYXFSOIYCNKJJR-UHFFFAOYSA-N 396.468 4.548 0 40 GJAB O=C(C(C(F)(F)F)C(F)(F)F)N(Cc1ccccc1)Cc1ccccc1 3188841 BZUYQQQDUXNKFQ-UHFFFAOYSA-N 375.312 4.956 0 40 GJAB biogenic COc1ccc2c(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)coc2c1 3364287 AFOFUUCXJMKDOQ-UHFFFAOYSA-N 382.416 4.885 0 40 GJAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Cl)c(Cl)c1 4837922 NOKUHFLNDIPBTN-UHFFFAOYSA-N 383.238 4.980 0 40 GJAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 4871113 OKBZCQOAZNRUQV-MFKMUULPSA-N 383.872 4.546 0 40 GJAB CC(=O)c1cccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1 5147322 XKAXDCLNRGANJI-UHFFFAOYSA-N 393.443 4.586 0 40 GJAB CC(C)CCC[C@H](C)NC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 5478713 ZQYVZRNCQWKYAA-INIZCTEOSA-N 395.551 4.767 0 40 GJAB CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(OC)c(Br)c1 5881937 PLQUPJQSZBRKNV-LBPRGKRZSA-N 398.322 4.772 0 40 GJAB COc1ccc2c(c1)nc1n2CN(CCc2ccccc2)CN1Cc1ccccc1 5932541 HUQBWUJCRLNREA-UHFFFAOYSA-N 398.510 4.525 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@H](c2cccc(Cl)c2)NC(=O)N1 5942641 HVRLBNKSTUYVGB-KRWDZBQOSA-N 390.270 4.568 0 40 GJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)S2)cc1 6394822 OEWSUBBJIOOERR-IDGGIGOKSA-N 395.311 4.861 0 40 GJAB CC(C)c1ccc(N(C(=O)CCC2CCCCC2)[C@@H]2C=CS(=O)(=O)C2)cc1 6805829 QKRLAMBABJSQNP-OAQYLSRUSA-N 389.561 4.814 0 40 GJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(CC)cc2)cc1 6941086 WRELFJFFYYCJRA-UHFFFAOYSA-N 388.467 4.668 0 40 GJAB O=C(CSc1ncnc2ccccc12)N(Cc1ccccc1)Cc1ccco1 7151811 ALPAJUYNUSHQEW-UHFFFAOYSA-N 389.480 4.544 0 40 GJAB Cc1nc(SCC(=O)Nc2ccc(N3CCCC3)cc2)n(C2CCCC2)c1C 7178792 DIVMRNMEWDLHHC-UHFFFAOYSA-N 398.576 4.946 0 40 GJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc2ccccc2s1 8152526 GPGVHSXDAZGXSZ-UHFFFAOYSA-N 380.300 4.674 0 40 GJAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@@H]2CCCO2)cc1 8186750 OFNKDXCRGBKEPE-SFHVURJKSA-N 385.920 4.783 0 40 GJAB CCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1C 8312330 RLBZCMMYXPVVOO-UHFFFAOYSA-N 380.473 4.631 0 40 GJAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cccc(Oc2ccccc2)c1 8428798 BISAWKFEQSTFJX-UHFFFAOYSA-N 391.423 4.708 0 40 GJAB Cc1ccc(NC(=O)N(Cc2ccccc2C)c2nnc3n2CCCCC3)cc1 8550220 RIPIHXJOTWEAMU-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB Cc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(C)c1 10314193 AQHCAQUCRCMZKR-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1cc(COC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)no1 10693867 JWOAXUZGZFONTI-UHFFFAOYSA-N 378.403 4.946 0 40 GJAB CCc1ccc(NC(=O)c2c(N)c(C(=O)c3cccs3)n3ccccc23)cc1 12342082 ALGRBHYIQJITCG-UHFFFAOYSA-N 389.480 4.629 0 40 GJAB CC(C)n1ncc2cc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cnc21 12746379 FENWEIWQXPTCLL-UHFFFAOYSA-N 399.454 4.517 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C)c1cccc2ccccc12 12759862 FDOCYTWQAADDHM-XDHUDOTRSA-N 384.479 4.981 0 40 GJAB CC[C@H](C)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 12995810 PRBZQKTYIANYGR-ZDUSSCGKSA-N 395.528 4.558 0 40 GJAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 13038681 FLFZJMSZJQLJMJ-VQHVLOKHSA-N 394.824 4.721 0 40 GJAB Cc1ccc2nsnc2c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 13945847 FXDADUPRBHRRKP-SECBINFHSA-N 382.272 4.713 0 40 GJAB CN1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2Cl)CC1 19894053 BCVVGZXIZSFJOW-UHFFFAOYSA-N 397.950 4.542 0 40 GJAB CCc1ccc([C@H](NC(=O)CCc2ccc3c(c2)OCO3)c2cccs2)cc1 29429211 DFGBZPAGNXXJRG-QHCPKHFHSA-N 393.508 4.878 0 40 GJAB O=C(CSCCOc1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1 31734938 XDRRYUHCJLXEQS-UHFFFAOYSA-N 387.835 4.692 0 40 GJAB COc1ccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC(F)F 47958542 ZZLQQBKHYCPIES-GFCCVEGCSA-N 379.428 4.828 0 40 GJAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c(OC)c1 49544103 CDXMTSRSBIKEAJ-INIZCTEOSA-N 397.862 4.726 0 40 GJAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1nc(-c2ccccc2)c[nH]1 58173905 VWIRUQUXVYFRBN-INIZCTEOSA-N 386.455 4.542 0 40 GJAB COc1ccccc1Cc1cc(C)nc([C@H]2CCCN(C(=O)C3CCCC3)C2)c1 72353935 DJRNSFFAUUGTPG-QFIPXVFZSA-N 392.543 4.886 0 40 GJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 72378958 ZQUBOIAQDCUHEV-OAQYLSRUSA-N 388.515 4.687 0 40 GJAB Cc1noc(C)c1CCC(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)no1 78994606 WXJFSQONXQIKGI-UHFFFAOYSA-N 379.338 4.537 0 40 GJAB O=C(NC1CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 79487841 VXEDDABWYRNFIZ-NRFANRHFSA-N 380.532 4.540 0 40 GJAB Cc1ccc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)c2ccc(C)cc2)C3)cc1 100426252 ODYRGRLUHYUWFZ-VXKWHMMOSA-N 391.515 4.651 0 40 GJAB Cc1sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)nc1-c1ccc(C(C)C)cc1 102208862 MEWDQCJFDVNYIZ-FJIDUMEYSA-N 396.512 4.703 0 40 GJAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC[C@H](N)CO 104850106 CKNOUMOYIGNOBN-TVQFWRQISA-N 377.569 4.995 0 40 GJAB Cc1ccc(CCCNC(=O)COc2cc(C)c(Br)c(C)c2)cc1 218840873 KUMNAMMHYGXGTQ-UHFFFAOYSA-N 390.321 4.502 0 40 GJAB CN(CCNC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 218990407 ULZXDTLHNXRKCP-UHFFFAOYSA-N 394.902 4.785 0 40 GJAB CCOc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1OCC 219278669 QIVUMRPRTQODHB-LJQANCHMSA-N 397.515 4.835 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 223019904 FDLODFZUVVOVJQ-KRWDZBQOSA-N 396.270 4.885 0 40 GJAB CC[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc2c(c1)CCCC2 223089955 FRPMHWLJQHDBMF-QHCPKHFHSA-N 390.527 4.569 0 40 GJAB CC1CCN(Cc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)cc2)CC1 223213120 OAIYAQPQDSRXOR-LJQANCHMSA-N 376.544 4.898 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)c1 223257000 GJYKXIDZLVNVOE-JOCHJYFZSA-N 395.499 4.847 0 40 GJAB CCc1ccc(CC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 223874326 GNFPNLSJOMEKIW-UHFFFAOYSA-N 377.459 4.826 0 40 GJAB CSc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)c1 224587781 IPDAAEUHILATAK-ZHZULCJRSA-N 392.480 4.720 0 40 GJAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224612538 VXCPVGKFSWZYRY-UHFFFAOYSA-N 388.316 4.834 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)ccc21 225152862 LXISJDMHLBMDCW-GFCCVEGCSA-N 390.892 4.703 0 40 GJAB O=C(c1ccc(F)cc1)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225262798 NWGFUXIUFUVBLK-LICLKQGHSA-N 383.473 4.532 0 40 GJAB CCOC(=O)c1cc(NC(=O)c2ccc(OCC)c(Cl)c2)ccc1Cl 225579430 UAOUSMKRZZCQII-UHFFFAOYSA-N 382.243 4.821 0 40 GJAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 225803157 WZSCVYLOMHNDCS-UHFFFAOYSA-N 389.377 4.944 0 40 GJAB O=C(CCc1ccc(F)c(Cl)c1)N1CC[C@H](Oc2cccc3cccnc23)C1 238894019 QWPHWYSLOFWXKB-KRWDZBQOSA-N 398.865 4.640 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccccc3)n2)c1 408696581 AXBJBBVKRIJLPL-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB O=C(COc1ccccc1)Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1 408712939 CFQBTGFZDMUZIV-UHFFFAOYSA-N 394.496 4.545 0 40 GJAB CCCCN(CCCC)CN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O 408724644 GPAUOVDOASODOI-XDJHFCHBSA-N 390.549 4.981 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1nnc2c(C)cc3cc(C)cc(C)c3n12 929757 IWYNJYLNLOJULX-GOSISDBHSA-N 396.560 4.691 0 40 GJAB O=C1[C@H]2CS[C@@H](c3ccccc3F)N2C(=O)N1c1cccc2ccccc12 2314649 RFNCHPMIEVCHSK-QUCCMNQESA-N 378.428 4.562 0 40 GJAB COc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(C)ccc32)c1 2687018 VCLZBLACTMPDST-UHFFFAOYSA-N 383.447 4.598 0 40 GJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c(C)c1 2951290 GQDIHYLOCJYVAM-ATJXCDBQSA-N 375.453 4.991 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c1 2961249 VRPLKCXORJWUMT-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nnc(C(C)C)s3)cc12 3182701 HRBINARCVMIMBG-UHFFFAOYSA-N 383.502 4.623 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N3CCCc4ccccc43)s2)c1 3317330 XSHOKNHWRBLPNO-UHFFFAOYSA-N 396.541 4.662 0 40 GJAB Cc1noc(C)c1CSCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 3330079 JMCXXXBKYWHQQO-UHFFFAOYSA-N 395.480 4.618 0 40 GJAB CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCO4)[C@H]12 4025654 QICBLZXMSFTNCM-JKCUGDFGSA-N 388.573 4.936 0 40 GJAB biogenic CC(=O)c1ccc(C(=O)Nc2nc3c(Br)cccc3s2)cc1 4348386 ZBDYJBFYJQTZFI-UHFFFAOYSA-N 375.247 4.514 0 40 GJAB CCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccoc1C 4860652 DRNXGGUDKWWIMV-UHFFFAOYSA-N 390.896 4.641 0 40 GJAB COc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)Nc2cccc(C)c2)C3)cc1 4887954 FJJZIDAYYKUCTC-FRIKZZABSA-N 393.531 4.711 0 40 GJAB Cc1nnc(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)s1 5196438 ZVOGHRXLWITGCB-UHFFFAOYSA-N 377.560 4.544 0 40 GJAB CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 5484984 NXTITHMSUBMOCT-INIZCTEOSA-N 387.451 4.969 0 40 GJAB O=C(NCc1ccccn1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 5936938 JDILGZUVDRYTGM-UHFFFAOYSA-N 379.872 4.942 0 40 GJAB COc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3C)n2)cc1 6341639 MTMYHYYLMYICAJ-UHFFFAOYSA-N 388.876 4.798 0 40 GJAB COc1ccc(Cc2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cc1 6669560 LZHKDPLZXAOFTM-UHFFFAOYSA-N 391.283 4.759 0 40 GJAB Cc1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)nc1 6966984 FQUMUHZQWDWKJT-MSBDOUPJSA-N 396.560 4.887 0 40 GJAB O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@@H]1CCOc2ccccc21 7215382 LSKAMOAXIXHCGK-CQSZACIVSA-N 386.662 4.666 0 40 GJAB CCCn1nnnc1NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 7263298 SERDDQSDMWDOBO-UHFFFAOYSA-N 391.450 4.567 0 40 GJAB O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)c1ccc(F)cc1 7313911 IWROYNWTULIFJU-UHFFFAOYSA-N 398.846 4.800 0 40 GJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)c(Cl)c1 7725715 SWRKCHHEYHRFDI-UHFFFAOYSA-N 379.243 4.820 0 40 GJAB Cc1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c(C)c1 8103473 KJXJWJDGOSFWCV-KRWDZBQOSA-N 380.513 4.698 0 40 GJAB Cc1cc(C2=NN=C(Nc3cccnc3)SC2)c(C)n1CCc1ccccc1 8231425 COUASKVPTBXPGL-UHFFFAOYSA-N 389.528 4.662 0 40 GJAB CC(=O)c1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 8388768 IESKSZZRHZJYHP-DVECYGJZSA-N 387.479 4.871 0 40 GJAB Cc1ccc(OCCNC(=O)c2cc(Br)ccc2Cl)c(C)c1 8389216 YJGODGNTCZAXOK-UHFFFAOYSA-N 382.685 4.528 0 40 GJAB Cc1ccc(CN2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1 9063115 VNKCIAOQSGGDKC-UHFFFAOYSA-N 391.342 4.830 0 40 GJAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(/C=C/c2ccc(Cl)cc2)s1 9332936 NHCMTEPDFMYVLU-CNELAYHGSA-N 385.876 4.768 0 40 GJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)cc(=O)c3c2)cc1 9660105 MVHZTWVPHOADBO-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB biogenic C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1F 10282354 XMAZYDAYEBEOBZ-MRXNPFEDSA-N 389.536 4.940 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)c(Cl)c2)N1C[C@@H]1CCCO1 12595519 NBHVJJCMPKDAMC-SCLBCKFNSA-N 377.271 4.739 0 40 GJAB O=C(NCCc1cccnc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 12607234 SGVYKSQGMNLFTB-UHFFFAOYSA-N 393.899 4.984 0 40 GJAB Cc1ccc(-c2nnc(S[C@H]3C[C@H](C)OC3=O)nc2-c2ccc(C)cc2)cc1 12750308 JAQGSVLUCXNNLT-YJBOKZPZSA-N 391.496 4.619 0 40 GJAB COc1ccc([C@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)cc1 12813959 JAGDYVMFHTURQS-HXUWFJFHSA-N 394.544 4.730 0 40 GJAB COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccc(C)c3)s2)cc1 12935573 GQTWVWWAXCECLZ-WJDWOHSUSA-N 385.876 4.844 0 40 GJAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1Cl 12980713 FGOTXGDUZGVLPX-UHFFFAOYSA-N 377.315 4.909 0 40 GJAB Cc1cccc(C)c1NC(=O)CCCS[C@@H](C)C(=O)NCCc1ccccc1 15491908 ITFSCZXWRWRSTK-IBGZPJMESA-N 398.572 4.503 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccccc1F 20454647 MCBMJSZTVIYFAS-FQEVSTJZSA-N 375.509 4.650 0 40 GJAB COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(-c4ccccc4Cl)o3)cc12 25016014 PODOLIWSLLTVFL-UHFFFAOYSA-N 395.802 4.515 0 40 GJAB COc1ccc(-c2nc(C(=O)Nc3cnc4ccccc4c3)cs2)cc1OC 25157237 VTBDMZZZHKJAAZ-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB Cc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1Cl 32578622 NJUPJDTWJRFXHR-UHFFFAOYSA-N 385.851 4.839 0 40 GJAB Cc1ccc(-n2ccnc2SCC(=O)NC[C@@H](C)c2ccccc2)c(C)c1 32957396 DJEKWTZGIUEUJI-GOSISDBHSA-N 379.529 4.501 0 40 GJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)cc1OC 36365328 NABFLFSXWWCOFD-OAHLLOKOSA-N 383.835 4.667 0 40 GJAB COCCCN1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2C1 54313673 JGQPCVAJYWCRIS-UHFFFAOYSA-N 399.874 4.610 0 40 GJAB biogenic C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc([S@@](C)=O)cc1)C1CC1 56223654 KTAWEMTWCVHYTG-QWVSSGJLSA-N 395.446 4.809 0 40 GJAB Cc1nc(COc2cccc(C(=O)Nc3ccc4c(c3)CCCN4C)c2)cs1 64845784 YZRBYRWPYFWLED-UHFFFAOYSA-N 393.512 4.665 0 40 GJAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](c1ccc(F)c(F)c1)CC(O)=N2 71279898 AIRNTNDLMZPUKR-AWEZNQCLSA-N 375.419 4.864 0 40 GJAB Clc1ccccc1OCCc1cc([C@@H]2CCN(CCc3ccccc3)C2)n[nH]1 72371236 JFBUGPFOWRYSND-LJQANCHMSA-N 395.934 4.717 0 40 GJAB CCN(C(=O)Nc1cc(Cl)ccc1Cl)[C@@H]1CCN(c2ccccc2)C1=O 78821481 FQNWIFKFQPHNJW-QGZVFWFLSA-N 392.286 4.653 0 40 GJAB COc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(Cl)nc2c1 89669210 RBVANDGHAFNVOB-OAQYLSRUSA-N 393.874 4.903 0 40 GJAB COc1cccc(C(=O)N(C)c2nc3c(s2)C[C@H](c2ccccc2)CC3)c1 95958546 CFWLKOCUMGIZHN-MRXNPFEDSA-N 378.497 4.701 0 40 GJAB O=C(C[C@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21)NCC1CC1 96052662 SJWQMZRRPZXUMB-IBGZPJMESA-N 394.584 4.686 0 40 GJAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1onc(-c2ccccc2)c1C(=O)O 96297063 GEHXKHHXFAGFBT-LLVKDONJSA-N 385.807 4.576 0 40 GJAB biogenic,in-vitro Cn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2ccc3ccccc3c21 100819340 VEEOGFMXMDJZFD-XDOYNYLZSA-N 375.478 4.744 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 102173405 ZBULIMFQRZMOJA-IXYNUQLISA-N 375.534 4.814 0 40 GJAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1cccc(OCc2ccccc2)c1 216942343 BLQKMHNHTKLWRZ-UHFFFAOYSA-N 385.419 4.915 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2)c1 218932663 CCBSSVQOPOTULN-UHFFFAOYSA-N 383.532 4.899 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 219303017 NHVCQAXAXXDXCI-PXNSSMCTSA-N 397.515 4.806 0 40 GJAB CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC)o2)cc1 222802849 GLUXHQYGWFKGGK-RTWAWAEBSA-N 393.512 4.733 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1C 222974602 BOCJFYZKRGPYIM-FCHUYYIVSA-N 390.556 4.953 0 40 GJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 222987016 LLUMUBOXCOKPDH-FQEVSTJZSA-N 394.559 4.515 0 40 GJAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224416910 MIZVHWHSSFEEJM-HNNXBMFYSA-N 375.896 4.600 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 225578056 YWMNMXSWLKQXRD-GOSISDBHSA-N 398.528 4.761 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Br)cc2)cc1 225639868 JPPXIALMINYZON-ZDUSSCGKSA-N 379.323 4.511 0 40 GJAB COc1cc(C)c(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1C(C)C 225670116 JVMMISFJTDZOFP-UHFFFAOYSA-N 393.487 4.758 0 40 GJAB COc1cccc(-c2cc(-c3ccc(C(=O)O)cc3)nn2CC(C)C)c1OC 257254078 KBMAWNZENABPNK-UHFFFAOYSA-N 380.444 4.589 0 40 GJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc1 409347829 NMNHBNNJRFVMLW-UHFFFAOYSA-N 397.500 4.559 0 40 GJAB C[C@H](NC(=O)C[C@H]1CCC[C@@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 504253451 ZRUVWWVAUWBSDR-SQNIBIBYSA-N 379.504 4.728 0 40 GJAB COc1cccc(Oc2ccc(NC(=O)[C@H](c3ccccc3)N(C)C)cc2)c1 521626116 OLJKASRASWNLPW-QFIPXVFZSA-N 376.456 4.729 0 40 GJAB Cn1nc([C@H]2CCCO2)cc1NC(=O)NCC(C)(C)c1ccc2ccccc2c1 626542979 MDFLTQWVNTWQHG-HXUWFJFHSA-N 392.503 4.524 0 40 GJAB C[C@@H]1CCN(C(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)[C@H](C)C1 1626995346 PCTBZMHJFHFNAH-HUUCEWRRSA-N 397.544 4.535 0 40 GJAB COc1ccc(-c2nnc3n2C(=O)C[C@@H](c2cccc4ccccc24)S3)cc1 957035 QWNXOWKNMJDCAW-IBGZPJMESA-N 387.464 4.984 0 40 GJAB O=C(O[C@H](C(=O)NCc1ccccc1)c1ccc(Cl)cc1)c1cccs1 1381189 DMKXCTSPJOONFT-SFHVURJKSA-N 385.872 4.616 0 40 GJAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C(F)(F)F)oc2cc1O 3121509 ITCSCNNRBFTVCQ-UHFFFAOYSA-N 392.329 4.866 0 40 GJAB COC[C@H](C)n1c(SCc2c(F)cccc2Cl)nc2ccccc2c1=O 3290808 ZMMXBBDKBPUIIW-LBPRGKRZSA-N 392.883 4.689 0 40 GJAB CC(C)(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 3534532 WDHDKACELJXDKU-UHFFFAOYSA-N 389.908 4.947 0 40 GJAB COc1cc2c(cc1NC(=O)CN(C)Cc1ccc(F)cc1)oc1ccccc12 3588388 DRXCLRYHDARBIP-UHFFFAOYSA-N 392.430 4.804 0 40 GJAB CCCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(C)ccc21 4193412 SMWQEPUJEPWJBN-UHFFFAOYSA-N 389.904 4.596 0 40 GJAB CCc1cc2c(CSc3nnc(-c4ccccc4C)o3)cc(=O)oc2cc1O 5435043 JVBAZCATXSRZDO-UHFFFAOYSA-N 394.452 4.712 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1C 5829362 CBPCDZGUACDJFS-CYBMUJFWSA-N 396.712 4.976 0 40 GJAB Nc1ccc2nc(CCCCCCCCc3nc4ccc(N)cc4[nH]3)[nH]c2c1 6445401 GTGKXQBMUAAJPI-UHFFFAOYSA-N 376.508 4.729 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 6649298 AKKVKDYNUMKLED-HEHNFIMWSA-N 388.467 4.989 0 40 GJAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc2ccccc12)C(C)C 6778846 NDABXCHHBSBPPR-QFIPXVFZSA-N 390.483 4.632 0 40 GJAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(C)C)CC1=O 7543644 BXHCTAJXMXZCCR-KRWDZBQOSA-N 377.488 4.612 0 40 GJAB CCOC(=O)c1ccc(Nc2nc3sc4c(c3c(=O)s2)CCCC4)cc1 7572438 CDNZTJAJJWBOEH-UHFFFAOYSA-N 386.498 4.517 0 40 GJAB O=C(NCc1ccccc1CN1CCCC1)C(c1ccccc1)c1ccccc1 8011692 YWTVTKUQHQYINX-UHFFFAOYSA-N 384.523 4.731 0 40 GJAB CCCCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1 8118083 HJGKHAODKWDDNF-HXUWFJFHSA-N 397.906 4.772 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)cc1 8208088 DKRGEKZQSPMZQT-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(CN2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 9063102 HRVMUTVGCQTXPD-UHFFFAOYSA-N 376.422 4.865 0 40 GJAB CCOc1ccccc1NC(=O)Nc1ccc(Nc2cc(OC)nc(C)n2)cc1 12225705 OYVRCOXBELCANS-UHFFFAOYSA-N 393.447 4.580 0 40 GJAB CCc1noc(CSc2ncc(-c3ccccc3)n2-c2ccccc2OC)n1 12602374 HVEZFJQZEWMJJN-UHFFFAOYSA-N 392.484 4.786 0 40 GJAB CC(C)c1ccc([C@H](NC(=O)C2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1 12764816 OHHPLHUJOHOWCA-JOCHJYFZSA-N 396.531 4.769 0 40 GJAB COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c(OC)c1 12792082 HGYOTLLWBDUEFR-FYWRMAATSA-N 384.435 4.573 0 40 GJAB CC(C)n1ncc2cc(NC(=O)c3cc(Br)ccc3Cl)cnc21 12871201 PRIGVTOPEKWONT-UHFFFAOYSA-N 393.672 4.680 0 40 GJAB COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccc(F)c3)s2)cc1 12924304 LYHOLYLRJQMNDV-GDNBJRDFSA-N 389.839 4.675 0 40 GJAB COc1ccc(OC)c(NC(=O)[C@@H](C)SCc2ccc(C(F)(F)F)cc2)c1 12934482 UEYUBYCRCVGCBU-GFCCVEGCSA-N 399.434 4.983 0 40 GJAB COc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc(Cl)c1OC 12980941 ZWRUIYDZENWMAU-NSHDSACASA-N 390.892 4.800 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2Cl)cc1 15538649 CTIAIRCUEXDHOZ-QGZVFWFLSA-N 380.271 4.745 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc2ccc(C)cc2s1 15582405 PGXKUCATJDLVPC-SFHVURJKSA-N 377.469 4.507 0 40 GJAB COc1ccc(C2=NN(c3ccc(C(=O)O)cc3)[C@@H](c3cccs3)C2)cc1 16216462 NTAPGJPJYVQTKR-LJQANCHMSA-N 378.453 4.811 0 40 GJAB Cc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1 28185870 CHUFCHAWYBMGMQ-BOPFTXTBSA-N 383.904 4.822 0 40 GJAB CC[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(OC)cc1 30849613 WRTUVRGFFFPOSE-JOCHJYFZSA-N 397.496 4.917 0 40 GJAB COc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)cc1 32508786 ZAGCBGMRFAZLGZ-UHFFFAOYSA-N 390.468 4.565 0 40 GJAB CCOc1ccccc1OCCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 32882683 LKUKFNJUGBIKNN-UHFFFAOYSA-N 392.499 4.742 0 40 GJAB COc1ccc(CN(C)c2ncccc2-c2nc(-c3ccc(C)cc3)no2)cc1 33004358 BRTYOBAXKOJVMA-UHFFFAOYSA-N 386.455 4.752 0 40 GJAB COc1cccc([C@H](CNC(=O)c2ccc(Cl)cc2Cl)N2CCCC2)c1 33028436 YAUGTYUMDWCMPY-IBGZPJMESA-N 393.314 4.569 0 40 GJAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)c(C)c1 44856528 OYOCOOILGLZYNY-HSZRJFAPSA-N 382.523 4.922 0 40 GJAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(C)CC(C)C)c12 45501878 UVZLHQTXNOXMTP-UHFFFAOYSA-N 391.393 4.945 0 40 GJAB CC12CC3(Br)CC(Br)(C1)CC(Br)(C2)C3 48520670 ITRWUINOCDIVSY-UHFFFAOYSA-N 386.953 4.775 0 40 GJAB Cc1ccc(C)c(NC(=O)COc2cc(C)nc(-c3ccc(Cl)cc3)n2)c1 49006964 IZDYBFIIRZSVCB-UHFFFAOYSA-N 381.863 4.740 0 40 GJAB CCCCCC(=O)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C 67889963 NKFFBFSSHJQKEP-UTKZUKDTSA-N 384.520 4.907 0 40 GJAB biogenic,in-vitro C[C@@H](Oc1ccc(F)cc1)c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1 71889871 GTGYCRJZLSDXAB-CQSZACIVSA-N 386.398 4.584 0 40 GJAB CCc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 72331279 UCYRLDLLKGPAOV-UHFFFAOYSA-N 384.523 4.796 0 40 GJAB CC[C@H](NC(=O)c1cc2cc(C)cc(C)c2nc1C)c1c(C)nn(CC)c1C 72399250 CZBONEGRUUJWAP-FQEVSTJZSA-N 378.520 4.874 0 40 GJAB O=C(Nc1ccc(-n2cccn2)nc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 84367194 LWXPGDCMHQCLDL-UHFFFAOYSA-N 398.344 4.798 0 40 GJAB C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 89573770 MUCHPCQWZXMTIE-HNNXBMFYSA-N 376.412 4.647 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2Br)cc1 96675769 NJIKCQOKQTWNQO-UHFFFAOYSA-N 377.259 4.678 0 40 GJAB CCCC[Sn]1(CCCC)OC[C@@H](Cc2ccccc2)O1 195998276 ABHXUASUHISUOV-NRYJBHHQSA-N 383.120 4.687 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 222959890 QUOGUWGUZOGMJK-OAQYLSRUSA-N 394.515 4.726 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 223001563 BHBWWPUFJJLDTJ-PMACEKPBSA-N 385.504 4.746 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 223271090 LHAMIGUMURJRLI-IBGZPJMESA-N 395.543 4.869 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)[nH]1 224455199 ZBYAFCZDBRJKOE-RBUKOAKNSA-N 382.920 4.857 0 40 GJAB CCSc1nnc(NC(=O)CSCc2ccc(Cl)cc2Cl)s1 224961454 VYWOTYNNCUJWHT-UHFFFAOYSA-N 394.374 4.829 0 40 GJAB CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(SC)cc1 224990215 XCRLOAAFSFHMGT-UHFFFAOYSA-N 375.437 4.643 0 40 GJAB CCOc1ccc(CNC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OCC 225665570 OBUPORJWEUUBDP-UHFFFAOYSA-N 385.504 4.854 0 40 GJAB COc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)cc1Cl 225789968 RNEYLLONXGJMJU-AWEZNQCLSA-N 378.925 4.719 0 40 GJAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257338391 YXELWTSCSKBSJD-KRWDZBQOSA-N 385.464 4.537 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H]3CCC[C@H](C)C3)cc12 328593210 CMYYGKHAGAIHGV-SUMWQHHRSA-N 385.508 4.902 0 40 GJAB COc1ccc(C(=O)CCC(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1 408832806 RMBNYHZOHCSPSD-UHFFFAOYSA-N 382.243 4.612 0 40 GJAB COc1ccc2[nH]c(C(=O)NCCc3cn(C(C)C)c4ccccc34)cc2c1 604418650 UGLXXXSYUYVOLN-UHFFFAOYSA-N 375.472 4.685 0 40 GJAB c1cc(C2=N[C@H](C3CCCCC3)CO2)nc(C2=N[C@H](C3CCCCC3)CO2)c1 1903929526 JSHMEAUZFKZRAH-SFTDATJTSA-N 381.520 4.533 0 40 GJAB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4)sc3n2)cc1 658856 MGYMACHHBGUJIX-UHFFFAOYSA-N 378.428 4.924 0 40 GJAB O=C(Nc1nnc(COc2ccccc2)s1)c1ccc(Cl)cc1Cl 828629 KTWMCPRXGLNVEV-UHFFFAOYSA-N 380.256 4.676 0 40 GJAB CCOc1ccc2cc3c(N)c(C(=O)Nc4ccccc4OC)sc3nc2c1 891601 COUZVFHGEUOEMD-UHFFFAOYSA-N 393.468 4.691 0 40 GJAB Cc1ccc2c(c1)-c1ncc(C(=O)c3cc(Br)ccc3O)cc1CO2 990121 CLKAFWBGKNKIEZ-UHFFFAOYSA-N 396.240 4.649 0 40 GJAB CCCCCCSc1nnc2c(n1)O[C@@H](CC)N(C(C)=O)c1ccccc1-2 2104625 RZBKTRVSFMRVBM-KRWDZBQOSA-N 386.521 4.692 0 40 GJAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCc4ccccc4)c(C)c32)c1C 4089774 VNNAVWZJNJJULS-UHFFFAOYSA-N 389.451 4.632 0 40 GJAB biogenic Cc1ccccc1C(=O)N1CCN=C1SCc1ccc(Br)cc1 4119984 KZLQACDNWWQCFQ-UHFFFAOYSA-N 389.318 4.503 0 40 GJAB COc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3ncccn23)cc1OC 4734006 RDQBXIZJZDLLEC-UHFFFAOYSA-N 380.835 4.811 0 40 GJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4816646 ROJUQYRBGAWEOD-RTBURBONSA-N 380.879 4.799 0 40 GJAB CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)c2ccc(F)cc2)cs1 5753843 VDFBKDMNRFWWHP-UHFFFAOYSA-N 384.432 4.632 0 40 GJAB CCOc1ccc(CCn2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1OCC 6270640 DPOFTCMWGCQHAT-UHFFFAOYSA-N 399.516 4.656 0 40 GJAB Cc1ccc(COc2ccc([C@H]3S[C@H](C)C(=O)Nc4[nH]nc(C)c43)cc2)cc1 6678706 JHDKVXCGMPHQTH-FOIQADDNSA-N 393.512 4.769 0 40 GJAB O=c1cc(CN[C@H]2CCCc3ccccc32)nc2scc(-c3ccccc3)n12 7015605 AVGNPYHWOHJPRO-FQEVSTJZSA-N 387.508 4.590 0 40 GJAB CSc1cccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 8274904 GJWTVRTULYQWKT-UHFFFAOYSA-N 392.480 4.569 0 40 GJAB CN(C)[C@H](CNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccco1 8342616 YOYBJHGULINOCU-LJQANCHMSA-N 398.890 4.545 0 40 GJAB CCOc1ccc(Nc2nc(-c3[nH]c(C)c(C(=O)OC)c3C)c(C)s2)cc1 8388893 WLDUVMNGFLVDII-UHFFFAOYSA-N 385.489 4.992 0 40 GJAB Cc1cccc(-n2c(SCc3nc4ccccc4c(=O)[nH]3)nc3ccccc32)c1 8425069 KKRMVIVBENKVBV-UHFFFAOYSA-N 398.491 4.863 0 40 GJAB C[C@@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NCc1ccccc1 8705611 YBSFVVVCWVAKNU-AUSIDOKSSA-N 397.522 4.594 0 40 GJAB COc1ccc(-c2nnc(Nc3ccc(Cl)cc3)[nH]2)cc1Br 8903543 BLJHWJWWIYFCDC-UHFFFAOYSA-N 379.645 4.640 0 40 GJAB CCc1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 9065498 BXVQQEHAVVFNOQ-UHFFFAOYSA-N 388.880 4.977 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 9220687 RBBXTOXYYOMPEP-UHFFFAOYSA-N 382.423 4.508 0 40 GJAB COc1ccc(CNC(=O)[C@@H](C)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 12748890 OZKUOYRIHSFJPP-RTBURBONSA-N 388.511 4.718 0 40 GJAB O=S(=O)(c1ccccc1Cl)N1CCCC[C@@H]1c1nc2ccccc2s1 12799161 MJAQQBQLRQYHFI-OAHLLOKOSA-N 392.933 4.866 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 12998051 VMNVSSAWAYRNDA-OAHLLOKOSA-N 380.492 4.635 0 40 GJAB CC1CCN(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)CC1 13647946 FJPWGGSCGHVOSF-UHFFFAOYSA-N 382.573 4.831 0 40 GJAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(Cl)c(Cl)c1 15411483 FXGXYQAZWZULLF-UHFFFAOYSA-N 394.254 4.756 0 40 GJAB Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)oc2ccc(Cl)cc12 15425569 ZYBZMPFANIZNTE-UHFFFAOYSA-N 382.891 4.789 0 40 GJAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1cccc2c(O)cccc12 17080686 MPVQOAWISJPEKM-UHFFFAOYSA-N 394.540 4.965 0 40 GJAB COc1cc(C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OCc1ccccc1 17323591 HMLDRTNYCBAUFF-KRWDZBQOSA-N 391.467 4.774 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)CCc2ccc(OCC)c(OCC)c2)cc1 22524169 DXIWNCICVSFNAS-KRWDZBQOSA-N 385.504 4.693 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1 23012362 LKQJZNCVHHWMMO-UHFFFAOYSA-N 379.485 4.896 0 40 GJAB CCCCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)nc(C)c1C 26122137 VJBLDPKGKHQPBE-MRXNPFEDSA-N 399.560 4.573 0 40 GJAB Cc1ccc(C(=O)C2CCN([C@@H](C)c3nc(-c4ccco4)no3)CC2)c(C)c1 26644485 ORWXBRAVHGABHZ-INIZCTEOSA-N 379.460 4.602 0 40 GJAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cc(C)ccn3)n2)c1 27663795 AONPILGXLFBKEZ-UHFFFAOYSA-N 384.892 4.686 0 40 GJAB CCn1nc(C)c2c(C(=O)NCCc3ccccc3)cc(-c3ccc(C)cc3)nc21 36613410 PPVYBSSUXLKWNX-UHFFFAOYSA-N 398.510 4.708 0 40 GJAB CCOc1ccc2cc(CNc3cc(C(C)C)c(OC)cc3C)c(=O)[nH]c2c1 57709942 TYXNYBMZVLOPJI-UHFFFAOYSA-N 380.488 4.979 0 40 GJAB Cc1noc([C@@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 58404309 JGCVWYYCGKONRR-LLVKDONJSA-N 375.350 4.555 0 40 GJAB Cc1noc(C)c1N(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 72306749 RTVFWQJBJFRPFZ-UHFFFAOYSA-N 389.459 4.561 0 40 GJAB O=C(Cc1cccnc1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349384 BVLXZNCQPOJUOH-IBGZPJMESA-N 391.902 4.746 0 40 GJAB O=C(CCc1ccccc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72358645 MQGLCYNKXAJBSP-FQEVSTJZSA-N 389.474 4.622 0 40 GJAB COc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1OC1CCCC1 89556211 SUBZFMRTSGLTLQ-UHFFFAOYSA-N 391.471 4.829 0 40 GJAB Cc1cccc(NC(=O)c2cc(-c3cnc(Nc4ccccc4)nc3)cn2C)c1 96037589 MLJJRPJDMGMGEL-UHFFFAOYSA-N 383.455 4.786 0 40 GJAB O=C(c1ccc(Oc2ccccc2Cl)o1)N1CCN(Cc2ccccc2)CC1 96183826 WOWNRGXVZVOZGM-UHFFFAOYSA-N 396.874 4.683 0 40 GJAB COc1ccccc1CN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1)C2 100425830 QJDYWVAMMKZJCV-SFTDATJTSA-N 395.572 4.567 0 40 GJAB CSc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 216265234 DAQZNGQWMLYTJK-OAQYLSRUSA-N 383.538 4.785 0 40 GJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCCc2ccccc21 219036555 APGHROQPZZUAEJ-LJQANCHMSA-N 388.511 4.566 0 40 GJAB O=C1Nc2ccccc2C1(c1cc(Cl)ccc1O)c1cc(Cl)ccc1O 222148012 YNQPUIXKYUANLD-UHFFFAOYSA-N 386.234 4.691 0 40 GJAB CCCc1ccc(OCCNC(=O)CCSc2ccc(Cl)cc2)cc1 223418847 UZGLSYBZZRUUAT-UHFFFAOYSA-N 377.937 4.970 0 40 GJAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 224139057 OZFZCJKMTTXHFJ-QGZVFWFLSA-N 375.896 4.536 0 40 GJAB Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225153401 YRLSOLUWNTXJRB-UHFFFAOYSA-N 384.501 4.750 0 40 GJAB COc1ccccc1CNC(=S)Nc1c(C)cc(Br)cc1C 225193336 YGAADGBANQGLNZ-UHFFFAOYSA-N 379.323 4.561 0 40 GJAB Cc1ccc2c(c1)[C@@H](NC(=O)Cc1cccc(Br)c1)CC(C)(C)O2 225621564 SAHNYULKUNNFBH-KRWDZBQOSA-N 388.305 4.719 0 40 GJAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC5(C[C@]4(C)[C@@H]3CC[C@@]12C)OCCO5 257350357 WNKZGFORAZKXGS-BSZVOWMXSA-N 376.537 4.704 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(Br)cc3)N21 260781348 SRPAFVNITVZRIF-OIISXLGYSA-N 388.334 4.824 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1csc(-c2ccccc2)n1 390830008 ICOLZLLYDDHWGG-INIZCTEOSA-N 396.493 4.595 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(C)cc1 408554337 RTFORSPAYRWDBT-UHFFFAOYSA-N 377.440 4.931 0 40 GJAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 408737332 NMKYHFYYUMZYQY-QHCPKHFHSA-N 386.495 4.598 0 40 GJAB O=C(NC1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccsc1 513891671 KFYYLDBNBDLQBH-UHFFFAOYSA-N 376.525 4.732 0 40 GJAB Cc1c(CSC(C)C)cccc1NC(=O)c1cccc(Cn2cncn2)c1 599590053 NSJQMOOTKYEANR-UHFFFAOYSA-N 380.517 4.529 0 40 GJAB CCc1ccnc(-c2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)c1 1615613377 UCODXKWRQKLWQK-UHFFFAOYSA-N 388.402 4.752 0 40 GJAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN1C[C@@H](C(=O)O)CC1=O 1738810138 OSCLBPZLTFWPAD-DFFQVNEFSA-N 397.559 4.753 0 40 GJAB Cc1ncc(CO)c2c1Oc1nc(-c3ccc(F)cc3)nc(SC(C)C)c1C2 1775976672 CZAVVPWANUGMGE-UHFFFAOYSA-N 397.475 4.675 0 40 GJAB S=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCC1 780596 ZPTBLAUYFYQRGO-UHFFFAOYSA-N 390.468 4.942 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 828837 LTDYRLXLJOEWFR-KRWDZBQOSA-N 390.270 4.568 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 875940 JTXBDODFGUKPAC-GJZGRUSLSA-N 387.549 4.916 0 40 GJAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)cc1 2232421 ZCKAKYTYGYRONJ-UHFFFAOYSA-N 380.407 4.673 0 40 GJAB COC(=O)COc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1 2347830 TXRAEVWCVKTJNX-UHFFFAOYSA-N 385.423 4.592 0 40 GJAB C[C@H]1CCc2sc3nc(N4CCCC4)n(-c4ccc(Cl)cc4)c(=O)c3c2C1 2375875 DLZMOPKSRJEBGS-ZDUSSCGKSA-N 399.947 4.826 0 40 GJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(OC(F)F)cc1 2656880 KILWRSULGWDRTF-UHFFFAOYSA-N 393.440 4.684 0 40 GJAB Cc1cccc(-c2nsc(SCC(=O)Nc3ccc(F)cc3F)n2)c1 2917524 OVRVAYXNCURQOV-UHFFFAOYSA-N 377.441 4.523 0 40 GJAB CCOC(=O)C(Sc1ccc(O)c(C)c1C)(C(F)(F)F)C(F)(F)F 3103054 NCQRNWPQYTWQPB-UHFFFAOYSA-N 376.318 4.528 0 40 GJAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1cccc(Cl)c1Cl 3234506 FRQUUCZPTGWEQY-UHFFFAOYSA-N 390.222 4.648 0 40 GJAB Cc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)n2)cc1 3455898 OSGVQOJAOGLNRL-UHFFFAOYSA-N 399.903 4.531 0 40 GJAB CN(CC(=O)Nc1cc(Cl)cc(Cl)c1)Cc1c(F)cccc1Cl 3586914 AAXMVSHBUUJPRQ-UHFFFAOYSA-N 375.658 4.856 0 40 GJAB O=C(Nc1nnc(COc2ccccc2)s1)c1ccc(Cl)c(Cl)c1 4150930 ZDPCFXFDVYQXBF-UHFFFAOYSA-N 380.256 4.676 0 40 GJAB Cc1cccc(OCc2nnc(SCC(=O)c3cc(C)n(C4CC4)c3C)o2)c1 5294840 JFOKSNLBHODXDO-UHFFFAOYSA-N 397.500 4.685 0 40 GJAB O=C1S/C(=C\c2ccccc2)C(=O)N1CNc1ccc(Br)cc1 5338290 IIVGZXYBTPBQBC-GDNBJRDFSA-N 389.274 4.555 0 40 GJAB Cn1ccnc1S[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 5359833 MGDSVAOSOISLKD-MRXNPFEDSA-N 391.418 4.911 0 40 GJAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1SC 5483180 HWQBGJJHJZPBGN-UHFFFAOYSA-N 387.892 4.774 0 40 GJAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cs2)cc1 5971690 FIRXDEPAXUJWRX-ZDUSSCGKSA-N 397.525 4.888 0 40 GJAB CCCCOCCCNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 6051161 HJASXETWAQUMKK-UHFFFAOYSA-N 385.291 4.893 0 40 GJAB CCOc1ccc(C2=Nc3ccc(OC)cc3C(c3ccc(F)cc3)=NN2)cc1 6600793 VJIIOZAECDTWKZ-UHFFFAOYSA-N 389.430 4.667 0 40 GJAB Cc1cc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)ccc1Br 7404683 WUZWDXLPHWJHJR-UHFFFAOYSA-N 392.341 4.798 0 40 GJAB COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2csc(C)n2)s1 7821075 IRRSHPYWNYLODC-UHFFFAOYSA-N 378.906 4.772 0 40 GJAB CC(C)c1ccccc1NC(=O)[C@H](C)N1CCN(c2ccccc2Cl)CC1 8319298 KNLNRGDWKNIGJY-KRWDZBQOSA-N 385.939 4.613 0 40 GJAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1nc(-c2ccccc2)cs1 8807908 PYOIJGFHUGCSFG-CYBMUJFWSA-N 394.525 4.816 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(CCCc2ccccc2)s1 9667433 FOAZBFNXYVTKCQ-UHFFFAOYSA-N 387.892 4.628 0 40 GJAB COc1ccc(Oc2ccc3nnc(-c4ccccc4Cl)n3n2)c(SC)c1 12389505 GZDVDQUJTRDCGG-UHFFFAOYSA-N 398.875 4.968 0 40 GJAB CC(=O)Nc1cccc(N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 12554507 YSWZYYVJIFJTLH-NRFANRHFSA-N 377.419 4.576 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(C)Cc3ccccc3)c2n1 12601690 IYISQOLLJGIQSN-UHFFFAOYSA-N 389.282 4.887 0 40 GJAB CN(C)C(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1 12635397 ZLBAVHBIELOWRZ-UHFFFAOYSA-N 397.478 4.644 0 40 GJAB CCOC(=O)c1sc(/C=C/c2ccoc2C(=O)OC)nc1-c1ccccc1 13004059 APBDRGRBEXAEHS-MDZDMXLPSA-N 383.425 4.537 0 40 GJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(Br)cn1 13725207 QTWYGGBKKAXAHH-UHFFFAOYSA-N 392.253 4.667 0 40 GJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@@H]1CCOc2ccccc21 14780391 LYJUZHNNQHHHFP-QGZVFWFLSA-N 382.847 4.568 0 40 GJAB C/C=C/c1ccc(OCC(=O)Nc2cc(OCC)ccc2OCC)c(OC)c1 15575706 AZJBVPVGOHWQJJ-VMPITWQZSA-N 385.460 4.543 0 40 GJAB Cc1ccc(C)c([C@@H](NC(=O)c2ccccc2Br)c2cccnc2)c1 15839842 BAPGPJVVSMXFMH-FQEVSTJZSA-N 395.300 4.980 0 40 GJAB CCC(=O)c1ccc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 16093255 UYZUGSSJIKGNFM-UHFFFAOYSA-N 392.782 4.719 0 40 GJAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(Cl)c(Cl)c1 19179806 GBJGPBPNBRDDQK-UHFFFAOYSA-N 385.634 4.584 0 40 GJAB Cc1noc2nc(C3CCN(C(=O)[C@@H](C)c4ccccc4)CC3)cc(C(F)F)c12 19564492 QCAZXGWQLBUNNB-ZDUSSCGKSA-N 399.441 4.979 0 40 GJAB Cc1ccc(-c2nnc(SCc3cc(=O)c4cccc(Cl)c4[nH]3)n2C)cc1 21099049 JWPPXGSJVBGKNR-UHFFFAOYSA-N 396.903 4.578 0 40 GJAB COc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4cccc(C)c4)nc32)cc1 21801326 XIBWKFIEUMIGIR-UHFFFAOYSA-N 383.455 4.669 0 40 GJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]nc1-c1ccc(F)cc1 25381771 WDEVZDDCQPQCKJ-UHFFFAOYSA-N 377.341 4.507 0 40 GJAB CCOc1ccccc1C(=O)Nc1c(C)nn(Cc2cccc(Cl)c2)c1C 28239477 PDFIZEIKYVMWSR-UHFFFAOYSA-N 383.879 4.853 0 40 GJAB Cc1cccc(-c2nc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)no2)c1 28404668 HFSNEIYLNHOYDK-AWEZNQCLSA-N 385.851 4.721 0 40 GJAB CCCn1c(C)cc(-c2csc(NC(=O)[C@H]3Cc4ccccc4O3)n2)c1C 29763280 QAKSVDUAWZJOCA-LJQANCHMSA-N 381.501 4.581 0 40 GJAB Cn1c(COc2ccc(Cl)cc2)nn(CN(C2CCCC2)C2CC2)c1=S 36390987 MPGZICQCMABVKD-UHFFFAOYSA-N 392.956 4.548 0 40 GJAB CC(C)(C)c1ccc(CCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 44871954 FGTKEDDPGBNMRV-UHFFFAOYSA-N 378.560 4.829 0 40 GJAB CCC1=NS(=O)(=O)c2cccnc2N1c1ccc(Oc2ccccc2)cc1 67245885 PMNIHAURSGZGKZ-UHFFFAOYSA-N 379.441 4.523 0 40 GJAB CCc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(OC)cc3)n2)cc1 67257520 AOYGOJNLQOIBEV-UHFFFAOYSA-N 393.512 4.754 0 40 GJAB COc1ccc(CNC(=O)c2sc(Nc3ccc(C)cc3C)nc2C)cc1 71326604 XSTJURXLQZOFOV-UHFFFAOYSA-N 381.501 4.751 0 40 GJAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4scnc4C)C3)n2)c1 72349833 ZMSWOUIAGWINSR-QGZVFWFLSA-N 393.512 4.542 0 40 GJAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(Cc3cnn(C)c3C)C2)n1 72353978 YSCBOGKBNRQUOQ-OAQYLSRUSA-N 392.522 4.541 0 40 GJAB O=C(Cc1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357916 MCCKIILNERPQNF-QFIPXVFZSA-N 391.902 4.627 0 40 GJAB Cc1cc2oc(C(=O)Nc3ccccc3Br)cc(=O)c2cc1Cl 72427513 CTIFVEBQDPOZGP-UHFFFAOYSA-N 392.636 4.770 0 40 GJAB Cc1cc(C)n(-c2ccc([C@@H](C)Nc3ncnc4cc(F)c(F)cc34)cc2)n1 79106164 ATPQSAKLRPTWPJ-CQSZACIVSA-N 379.414 4.884 0 40 GJAB C[C@H]1CCc2nc3ccccc3c(C(=O)N3CCC[C@@H](C(F)(F)F)C3)c2C1 84700140 ZIQCCJBNTPWNCN-UONOGXRCSA-N 376.422 4.774 0 40 GJAB CC(C)n1c(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cc2cc(Cl)ccc21 85879976 FZSCFDQMLPKAEE-QFBILLFUSA-N 387.955 4.870 0 40 GJAB biogenic CC(C)n1cnc2c(N3CCCC3)nc(C3CCN(Cc4ccco4)CC3)cc21 96099991 JFFMDHSYCMWXFT-UHFFFAOYSA-N 393.535 4.585 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NCc1ccc(C(=O)c2ccsc2)s1 211083914 HFVYLZRWTSCTQC-UHFFFAOYSA-N 375.902 4.553 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219317888 KIIMHSLJDGPZHF-UXHICEINSA-N 383.488 4.580 0 40 GJAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1 223786716 AUCFBUJOIXLOLE-LEWJYISDSA-N 392.528 4.602 0 40 GJAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225520495 WBFQRSJQIQRABG-UHFFFAOYSA-N 384.495 4.607 0 40 GJAB CC(C)Sc1nnc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)s1 225536283 VEZJISYRRKDPLK-CQSZACIVSA-N 390.578 4.523 0 40 GJAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2ccccc12 225774162 NHGFNKWQUKYVMU-UHFFFAOYSA-N 375.468 4.844 0 40 GJAB Cc1noc(C)c1-c1cnc(C2CCN(Cc3ccc4ccccc4n3)CC2)cn1 257312568 UOOKECFDYHDTOG-UHFFFAOYSA-N 399.498 4.676 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](Cc3nccs3)C2)cc1 257318355 VNOGGYMDDDHELA-GOSISDBHSA-N 392.524 4.963 0 40 GJAB CO[C@]1(COc2ccccc2F)CCCN(Cc2ccc3[nH]ccc3c2)CC1 585270084 DTXWDZPQVCBUKL-HSZRJFAPSA-N 382.479 4.757 0 40 GJAB O=C(c1cc(C(F)(F)F)cnc1O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 635537669 BCSCXFHDEQTTMU-KRWDZBQOSA-N 389.377 4.655 0 40 GJAB CC[C@@H](C(=O)NCCc1c(C(F)(F)F)[nH]c2ccccc12)c1c(C)noc1C 1170954117 ZXWHUBOFGLLDEN-CYBMUJFWSA-N 393.409 4.644 0 40 GJAB Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCC[C@@H](C)C3)c2c1C 1340391 UXXTYBMJQQJQCZ-GFCCVEGCSA-N 377.579 4.782 0 40 GJAB Cc1ccc(OCCSc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1 1792233 WWOQMMQWVPSKPN-CYBMUJFWSA-N 386.542 4.589 0 40 GJAB C[C@@H](OC(=O)c1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1984034 ZFRRJSZNZIUSER-SECBINFHSA-N 389.732 4.682 0 40 GJAB COc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cc(=O)o2)cc1OC 2302228 SXNGDDXLBSIVQW-UHFFFAOYSA-N 378.211 4.693 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)c1 4860724 BSKJONSGYOAQSA-UHFFFAOYSA-N 398.532 4.850 0 40 GJAB O=C(CC1CCCCC1)NC1CCN(c2nc(-c3ccccc3)cs2)CC1 5002097 HUPOAQNZLBFMIG-UHFFFAOYSA-N 383.561 4.866 0 40 GJAB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 5092201 GJSSIJLKHZRFQY-HXUWFJFHSA-N 381.907 4.696 0 40 GJAB COc1cccc(-c2c(NC(=O)C3CCCCC3)n(C)c3ccccc3c2=O)c1 5243739 HPUJZRBBPXRNBD-UHFFFAOYSA-N 390.483 4.733 0 40 GJAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccccc1 5712180 BSEMMMVBYGIKIP-UHFFFAOYSA-N 382.419 4.697 0 40 GJAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 6438666 QTBJJNCXYOERND-LJQANCHMSA-N 397.475 4.954 0 40 GJAB COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 6653497 DVLILDUXHHQTSB-QHCPKHFHSA-N 399.494 4.604 0 40 GJAB O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccccc1F 6779232 USMWCMBUWWWDCW-SFTDATJTSA-N 393.389 4.530 0 40 GJAB COc1ccc(CCNc2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 6947488 ACFVKPBZQICNBU-UHFFFAOYSA-N 379.485 4.963 0 40 GJAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccc(C(C)(C)C)cc1 7217805 SXIGXEFTHXLWCI-OAHLLOKOSA-N 382.529 4.840 0 40 GJAB O=C(CCc1nc2ccccc2s1)Nc1ccc2c(c1)OC1(CCCC1)O2 7781392 GIWBFGGTBATXKD-UHFFFAOYSA-N 380.469 4.909 0 40 GJAB CCc1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc32)cc1 9131261 GGTGAAIBSQSACO-KRWDZBQOSA-N 391.496 4.626 0 40 GJAB COc1c(C(=O)Nc2ccc(Cl)cn2)cc2ccccc2c1Br 9427039 LDTLCGSMCQQXTA-UHFFFAOYSA-N 391.652 4.912 0 40 GJAB CCOc1ccc2[nH]c(C(=O)N[C@H](c3ccccc3)c3cccnc3)c(C)c2c1 12148288 FXIBWGZINCLABK-HSZRJFAPSA-N 385.467 4.789 0 40 GJAB CCOc1cccc2c1O[C@H](c1cccc(OC)c1)N1N=C(c3ccco3)C[C@@H]21 12196494 RWFBLRXAVJDUKE-WMZHIEFXSA-N 390.439 4.929 0 40 GJAB Cc1cccc(-n2c(C)nnc2SCc2nc(-c3ccc(C)c(F)c3)no2)c1 12549210 JPWVRGAXNNAIAU-UHFFFAOYSA-N 395.463 4.674 0 40 GJAB CN(Cc1ccc(Cl)c(Cl)c1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 12745033 BWABFOLKWDQJCI-GOSISDBHSA-N 381.278 4.584 0 40 GJAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCC(C)CC2)o1 15860497 ZRZORVLUNAKKOK-IBGZPJMESA-N 398.478 4.985 0 40 GJAB O=C(N[C@H](C[C@@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1)C1CCC1 19400918 WVOHRVSCLILPLB-JTHBVZDNSA-N 395.522 4.623 0 40 GJAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 19819284 NKZHKBJPUCBCGA-UHFFFAOYSA-N 392.846 4.582 0 40 GJAB CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(OC)cc4)cc3n2)cc1 20610158 MHWJEAFTPPCOBC-OVCLIPMQSA-N 398.466 4.643 0 40 GJAB Cn1cc(C(=O)Nc2ccccc2Oc2ccccc2)c(=O)c2cc(F)ccc21 22236485 VNEOVDXBRXDFBR-UHFFFAOYSA-N 388.398 4.722 0 40 GJAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCC[C@H]3c3ccncc3)s2)cc1 25247657 AHTNDTJFICYIFC-IBGZPJMESA-N 393.512 4.711 0 40 GJAB Cc1ccc(-c2nc(CC(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cs2)cc1 27851377 LGUOCGUVDDCKII-GJZGRUSLSA-N 382.451 4.898 0 40 GJAB C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1ccc(F)cc1F 28368291 AGEUCEIOXQEHFX-CYBMUJFWSA-N 388.414 4.836 0 40 GJAB CCC(C)(C)NC(=O)c1ccccc1OCc1nc(-c2ccc(C)cc2)no1 32579115 UTOJSOYPMCLZNT-UHFFFAOYSA-N 379.460 4.542 0 40 GJAB C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C(C)(C)C)cc1 38753336 IEGGLFNSCSRVSC-QGZVFWFLSA-N 378.516 4.598 0 40 GJAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 39980626 SROSGLFGQDFPTI-VBKZILBWSA-N 398.890 4.718 0 40 GJAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(F)cc4)ccc32)c1 46078686 LKOBKMGXQVJVOI-UHFFFAOYSA-N 388.442 4.979 0 40 GJAB CS(=O)(=O)c1ccccc1NC(=O)N1CCC[C@H]1c1cccc2ccccc12 56596363 ZNTLHGDVPTYYLC-FQEVSTJZSA-N 394.496 4.612 0 40 GJAB Cc1ccc2c(CN(Cc3cccs3)C[C@H]3CCCO3)cc(=O)oc2c1C 57688373 YIZWKHZQJHVPTN-GOSISDBHSA-N 383.513 4.653 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1Cl 59227202 JPLXBLKIICERGW-LLVKDONJSA-N 397.689 4.947 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 64334594 NZFCWHQILKCGKU-SNVBAGLBSA-N 378.910 4.831 0 40 GJAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c(C)c1 67298024 ATGFZCYGXNZSBF-ATJXCDBQSA-N 391.452 4.696 0 40 GJAB O=C(Nc1ccc(F)cc1F)N1CC(Cc2ccccc2OC(F)(F)F)C1 72306259 AGXYWFAQWCULCQ-UHFFFAOYSA-N 386.320 4.570 0 40 GJAB Cc1cccc(OC[C@H](O)Cn2c(Cc3ccccc3C)nc3ccccc32)c1 82086473 HGNUBXDSPNKWGV-OAQYLSRUSA-N 386.495 4.684 0 40 GJAB Cc1ccc(NC(=O)COc2ccc3occ(C(=O)c4ccco4)c3c2)cc1 96184224 JDGDKQICSYGYPT-UHFFFAOYSA-N 375.380 4.583 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2ccccc2)c1[C@H]1C(=O)Nc2c(Cl)cccc21 101634088 OXKBSVQMEQWGBG-INIZCTEOSA-N 380.831 4.514 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2ccccc2Cl)c1[C@@H]1C(=O)Nc2ccccc21 101643814 COCOJEIXSWZIPM-QGZVFWFLSA-N 380.831 4.514 0 40 GJAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(CN2CCCC[C@@H]2C)c1 141579418 YWDOSNSIZGCFQC-SFHVURJKSA-N 390.531 4.612 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CC1 223336265 CPKASGGMGYFLBC-LEWJYISDSA-N 392.528 4.601 0 40 GJAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(C)cc1 224119390 FOGUSJMMOSRLOR-UHFFFAOYSA-N 375.468 4.821 0 40 GJAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 224591115 PTFQZJUQRAPCPG-IAGOWNOFSA-N 387.917 4.679 0 40 GJAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 224595963 FIIRKNYZIXBVAJ-UHFFFAOYSA-N 393.814 4.583 0 40 GJAB Cc1ccc(CNC(=O)CCc2ncc(-c3cccc(Br)c3)o2)cc1 224883511 PFTAIKHAMRSEBG-UHFFFAOYSA-N 399.288 4.662 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC2=CCCCC2)cc1 224944130 SUOFRSONFVMCIV-PGMHBOJBSA-N 394.540 4.834 0 40 GJAB Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(Cl)cc2Cl)n1 225815717 OMTJXIIZOFEJQD-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CO[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cc2ccccc2o1 244950792 FLTUOZXTHADILG-IBGZPJMESA-N 387.863 4.748 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1ccccc1 409074021 JMQLWXXZPWONAO-CPNJWEJPSA-N 383.469 4.721 0 40 GJAB CN1CCC[C@@H]1CCSc1nc(O)c2c(-c3ccc(F)cc3)csc2n1 534607359 URZYLYICHDRJJK-CQSZACIVSA-N 389.521 4.779 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(Oc2cccnc2)cc1 558141617 OPIGXRXKSZATHJ-UHFFFAOYSA-N 398.466 4.858 0 40 GJAB Cc1cc(C)cc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)c1 1615161504 ZCKSAAPYMGRHIV-KNQAVFIVSA-N 380.507 4.962 0 40 GJAB CC1(C)c2ccccc2N(CCC(N)=O)[C@]12C=Cc1c(ccc3ccccc13)O2 1044425 ZIWLSXUIITVCGZ-VWLOTQADSA-N 384.479 4.615 0 40 GJAB Cc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1359886 WTJPCLNKMOKSFB-MRXNPFEDSA-N 380.423 4.596 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 2512583 JOSQMRBADFJLCB-UHFFFAOYSA-N 382.935 4.809 0 40 GJAB O=C(CSc1cccc2cccc(Cl)c12)N1CCN(c2ccccc2)CC1 2651625 HSCANYKYDRQAJY-UHFFFAOYSA-N 396.943 4.934 0 40 GJAB Cc1cccc(-n2nc3c(c2NC(=O)CCC2CCCCC2)C[S@@](=O)C3)c1C 2724900 IUSGMFJDFOALHV-NDEPHWFRSA-N 399.560 4.550 0 40 GJAB Cc1cccc(OCc2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)c1C 2930865 RQBWFXZOKBYCKA-UHFFFAOYSA-N 389.411 4.778 0 40 GJAB Cc1ccc2c(CSc3nnc(NC4CCCCC4)s3)cc(=O)oc2c1 3355706 FODNACNQTLUKTE-UHFFFAOYSA-N 387.530 4.990 0 40 GJAB O=C(c1ccc(F)cc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 4120434 XJVNPKUJTSGOLL-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB CC(C)COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 4362718 SQYRTFAGKFAVIH-AWEZNQCLSA-N 375.852 4.559 0 40 GJAB CCOC(=O)c1ccc(COC(=O)C2c3ccccc3Oc3ccccc32)cc1 4610477 RXPGNPIHTJDGQT-UHFFFAOYSA-N 388.419 4.844 0 40 GJAB COc1ccc(/C=C/c2nnc(COc3ccc(Br)cc3)o2)cc1 4657197 WIRCMEBZPFPTJG-NYYWCZLTSA-N 387.233 4.590 0 40 GJAB COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2c(Cl)cc(Cl)cc23)cc1 4852941 OCOHCTTYVRVADG-YJBOKZPZSA-N 379.243 4.772 0 40 GJAB CCc1ccc(-c2csc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5=C(C)C)[C@H]4C3=O)n2)cc1 4893348 TWJGMHCAJOYFQT-OBMJPTGESA-N 392.524 4.854 0 40 GJAB COc1ccc(NC(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)cc1 4931012 TZRAMZSOJMEGON-UHFFFAOYSA-N 393.468 4.641 0 40 GJAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccc(C(F)(F)F)c1 4950222 WQVVWXXXDZECSD-UHFFFAOYSA-N 382.345 4.667 0 40 GJAB Cc1cccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)c2ccccc2)c1 5235870 UYYDPTMPZPRMTM-GOSISDBHSA-N 397.478 4.719 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1c(-c2ccccc2)nc2ccccn12 5264390 PJVKKXKMXJBHKR-UHFFFAOYSA-N 377.831 4.672 0 40 GJAB CCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccncc1 5271341 VOHZJNVEQRDMGY-AWEZNQCLSA-N 391.500 4.513 0 40 GJAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)cc1 5396448 WTGXEWIRQGTZTM-CQSZACIVSA-N 383.542 4.937 0 40 GJAB O=C(CC12CC3CC(CC(C3)C1)C2)OCC(=O)c1cccc(Br)c1 6049276 YZJWVHZENVLNNJ-UHFFFAOYSA-N 391.305 4.782 0 40 GJAB COc1ccc(CSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)cc1F 6374602 NZVPQISDNXIQLY-LLVKDONJSA-N 378.400 4.789 0 40 GJAB CC[C@@H](NC(=O)c1cc(C(F)(F)F)nn1CC)C12CC3CC(CC(C3)C1)C2 6555372 IXDBNQNWWWLLLX-SFIVQVFOSA-N 383.458 4.647 0 40 GJAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Br)cc1Cl 6559133 LLRXMSPZXJXQKT-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB Cc1ccc(-c2n[nH]c(SCc3nc(-c4ccccc4Cl)no3)n2)cc1 7113682 IXDHZAAWDALKHK-UHFFFAOYSA-N 383.864 4.776 0 40 GJAB COC(=O)c1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(OC)cc3)c2C)cc1 7375730 LPBFWHKQULNCNQ-NTEUORMPSA-N 389.451 4.785 0 40 GJAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928402 ACZPPPZUIZVIHH-ZDUSSCGKSA-N 377.271 4.547 0 40 GJAB CCN(CC)c1ccc(-c2nnc(SCc3cn4ccccc4n3)o2)cc1 8132390 ZZFFFTLLOKSWLX-UHFFFAOYSA-N 379.489 4.523 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1Cl 8218559 PCVJWJIQXFKPPD-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cc1cccc(-c2nn(-c3ccccc3)cc2CNCc2ccc3c(c2)OCO3)c1 8428732 LRSVQBZZZOXNAN-UHFFFAOYSA-N 397.478 4.866 0 40 GJAB COc1cc(C)ccc1OCCSc1nc2ccc(NC(C)=O)cc2s1 8673728 BNVNOWBUBGGNNX-UHFFFAOYSA-N 388.514 4.743 0 40 GJAB Cc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)c2cnn(C(C)C)c2n1 10963948 SKBWUKUNSGMNIZ-UHFFFAOYSA-N 394.500 4.818 0 40 GJAB CCCOc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(C)n1 12225580 SSIUQBVDAJWYJQ-UHFFFAOYSA-N 380.423 4.709 0 40 GJAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(CN2CCCCC2)cc1 12622529 HHNXUDPWOOETQU-FQEVSTJZSA-N 384.520 4.779 0 40 GJAB Cc1cc(C(=O)COc2cccc(Br)c2)c(C)n1-c1nccs1 14215920 XPOOLWWEDGFSDE-UHFFFAOYSA-N 391.290 4.575 0 40 GJAB Cc1cccc2c(=O)[nH]c(CN[C@H](C)c3cc(F)c(Cl)cc3Cl)nc12 16694828 ZNGCSCRLULEKND-SNVBAGLBSA-N 380.250 4.528 0 40 GJAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1C 17052805 IEDMFJZBIDOYRF-UHFFFAOYSA-N 399.903 4.847 0 40 GJAB O=C(Cc1ccsc1)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19341707 LNHHIOSLUYXODA-ZDUSSCGKSA-N 393.434 4.592 0 40 GJAB COc1cccc(Cc2cc(C)nc(C3CCN(C(=O)C4CCCC4)CC3)c2)c1 19691659 ZSAIFOCZFXSPCF-UHFFFAOYSA-N 392.543 4.886 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccc(Cl)cc1 20108793 DGFLMWLAEVHCDQ-IBGZPJMESA-N 377.937 4.855 0 40 GJAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1C(=O)c1ccccc1 21635913 NVWGFVCLQHZRAU-UHFFFAOYSA-N 381.834 4.982 0 40 GJAB O=C(Nc1cccc(F)c1)c1cccnc1Nc1ccc(Br)cc1 22072199 BCBXPXDYYPWELC-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1C 22907785 USQIXBFBJQSVQH-JOCHJYFZSA-N 390.552 4.894 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(Cl)c2cccnc12 26843837 NRGFCGMNTBLKCD-UHFFFAOYSA-N 398.267 4.708 0 40 GJAB CC(C)NC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 27232706 BRISJZRKTYDJOQ-UHFFFAOYSA-N 390.936 4.989 0 40 GJAB COc1cccc(OCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)o2)c1 28225349 VWQMOISIELYWFP-OAQYLSRUSA-N 377.440 4.675 0 40 GJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(COc2ccc(Cl)cc2)o1 28234183 HTOQDODAHSMVDQ-UHFFFAOYSA-N 385.803 4.536 0 40 GJAB CCCCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)c2ccccc12 28251978 POBSOHBPEYTVHO-QGZVFWFLSA-N 375.534 4.972 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1SCc1cscn1 30797717 XLIYRSKNWOZPJU-UHFFFAOYSA-N 393.537 4.889 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1 32095677 UBWJFAUEKSMBAQ-UHFFFAOYSA-N 382.423 4.508 0 40 GJAB O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)Nc1ccccc1C(F)(F)F 32609909 ZJHMBVVWUZDGFB-UHFFFAOYSA-N 395.772 4.643 0 40 GJAB COc1ccc(-c2nc(C[S@](=O)Cc3ccccc3C)cs2)c(OC)c1 32801418 CMSZMKUFYNWFSG-SANMLTNESA-N 387.526 4.585 0 40 GJAB COc1ccc(CN(C)[C@@H](C(=O)Nc2ccccc2)c2ccccc2)cc1F 32851018 MXZBJCBOEBXBCH-JOCHJYFZSA-N 378.447 4.646 0 40 GJAB CCOc1ccc(-c2ccc(SCc3nc(-c4ccccc4)no3)nn2)cc1 33262482 TZRHRDLQYIZNRB-UHFFFAOYSA-N 390.468 4.885 0 40 GJAB COc1cc([C@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc(OC)c1OC 40266191 FMIUIGFZLVVNON-CQSZACIVSA-N 396.468 4.960 0 40 GJAB O=C(NCc1ccccc1Cn1cccn1)Nc1ccc(SC(F)F)cc1 48373915 SZIHAGAVZCUHKE-UHFFFAOYSA-N 388.443 4.568 0 40 GJAB O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 57413445 MEILPXKGSVLJAU-UHFFFAOYSA-N 380.662 4.967 0 40 GJAB CC(C)(C)OC(=O)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 61968131 IDGXQQZGIYSAOK-UHFFFAOYSA-N 383.414 4.702 0 40 GJAB CN(CCCC(=O)OC(C)(C)C)C(=O)c1ccc(-c2ccccc2Cl)o1 65588591 GKZXQQQVPPUTNS-UHFFFAOYSA-N 377.868 4.794 0 40 GJAB O=C(/C=C/c1ccccc1Cl)NCc1ccc([C@H](O)c2cccs2)s1 90613600 IIEIFAPHSQKUCJ-QPGLYAHGSA-N 389.929 4.874 0 40 GJAB CC(C)[C@H](C(=O)Nc1cccc2c1ccn2C(C)C)N1Cc2ccccc2C1=O 95480845 CZUAEJLYKJJLPY-JOCHJYFZSA-N 389.499 4.841 0 40 GJAB Cc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C(=O)Nc2cccc(C)c2)cc1 100426188 BUUHBULZYUGKIT-FGZHOGPDSA-N 391.515 4.651 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100950538 XCDXKNDGAJAXEA-FPAYPSAMSA-N 387.401 4.888 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3F)N21 222706309 SYFFIIKJXQZMMX-IPHXSNPTSA-N 392.503 4.991 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)c1 222708565 BWEITNLULKIYFE-GFCCVEGCSA-N 397.899 4.607 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1 222954283 SRVDMCMJCHZVAJ-UHFFFAOYSA-N 385.851 4.698 0 40 GJAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ncc(Cl)nc1Cl 223973128 UZULBUPLFZDVBW-UHFFFAOYSA-N 381.332 4.582 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc3c(c2)CCCC3)cc1 223994258 UFFWVFIQFDMPQY-QHCPKHFHSA-N 381.516 4.856 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccc(C)cc1 225485799 NIYKGUZSSLLDQP-LJQANCHMSA-N 381.545 4.868 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)c2nc(NN)sc2c1 226313849 JXXOFYSVELIPLC-UHFFFAOYSA-N 398.875 4.649 0 40 GJAB O=C(c1cccnc1)N1CCCC[C@H]1c1ccc(Cc2cccc(F)c2)nc1 257264068 LSTVOCGPURLMNZ-QFIPXVFZSA-N 375.447 4.574 0 40 GJAB CO[C@@]1(COc2ccc(C)cc2)CCCN(Cc2ccc3[nH]ccc3c2)CC1 257265997 MBEOYNWVDNPOLQ-DEOSSOPVSA-N 378.516 4.926 0 40 GJAB O=S(=O)(Nc1ccccc1-c1cn2ccccc2n1)c1ccc(Cl)s1 390828327 QIKOXDGWTPLDNP-UHFFFAOYSA-N 389.889 4.517 0 40 GJAB COc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br 408558270 SQOPJRGECOBROL-INIZCTEOSA-N 398.709 4.890 0 40 GJAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCc3ccccc3C2)cc1 408678686 UQJVUHVABDSRTC-UHFFFAOYSA-N 394.474 4.682 0 40 GJAB O=C(CCC(=O)N[C@@H]1CCCCc2ccccc21)CCC(=O)c1cccs1 523432873 VIHHMHCNYKFJRH-LJQANCHMSA-N 383.513 4.644 0 40 GJAB Cn1ncc(C2CCC2)c1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 585100152 BQZYAKNMUUGGKK-HXUWFJFHSA-N 398.510 4.731 0 40 GJAB COc1ccc(CN2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)cc1 585100677 SJEZFLVRCRHDFY-XMMPIXPASA-N 384.564 4.623 0 40 GJAB Cc1cnc(Nc2cccc(CC3CCN(C(=O)c4ccccc4)CC3)n2)s1 585262606 HUIAADDYDDPKAN-UHFFFAOYSA-N 392.528 4.685 0 40 GJAB Cc1ccc(Cl)c(OCC2(O)CCN(Cc3ccc4[nH]ccc4c3)CC2)c1 585269981 AADYTCVDNVRNFF-UHFFFAOYSA-N 384.907 4.536 0 40 GJAB CC(C)(C)OC(=O)N[C@@H]1CCCCN1c1ncc(C(F)(F)F)cc1Cl 1075976344 SXPFPAQVVNNERD-LBPRGKRZSA-N 379.810 4.595 0 40 GJAB CCCN1CC[C@H]2CC(=O)Nc3cc(-c4ccccc4)ccc3OCC[C@H]2C1 1534646413 KDDDUIWVUPPNJU-SFTDATJTSA-N 378.516 4.813 0 40 GJAB CC(C)C(CNC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)C(C)C 1658796297 CQEDRYIAFYYKLX-MRXNPFEDSA-N 385.392 4.973 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)NCc4cccc(Cl)c4)c(N)c3cc2C1 661735 FKLDAMCNCVRCFG-LBPRGKRZSA-N 399.947 4.977 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1 936254 KUEKENZUHHXMFB-OQLLNIDSSA-N 389.451 4.935 0 40 GJAB COc1ccc(NC(=O)[C@]23CC[C@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 1020371 ZCIYDIOIEKRGJT-RPWUZVMVSA-N 387.483 4.606 0 40 GJAB O=S(=O)(c1ccccc1)N1CC[C@@]2(Cl)CCCC[C@H]2[C@H]1c1ccccc1 1236023 OMYLBMBYGSSHCP-HBMCJLEFSA-N 389.948 4.990 0 40 GJAB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccco4)cc3)nc2c1 2220708 VPUXHAPJFXGJQD-UHFFFAOYSA-N 377.425 4.523 0 40 GJAB C[C@H](SC1=NCCN1S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 2711476 NOXUAPNIHXMEEW-INIZCTEOSA-N 396.537 4.695 0 40 GJAB Cc1nn(CCC(=O)N(C2CCCCC2)C2CCCCC2)cc1Br 2782229 NGXXWVPICOEZOM-UHFFFAOYSA-N 396.373 4.838 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O 3099023 GJFJZHRJURXJNT-BOPFTXTBSA-N 398.249 4.832 0 40 GJAB COc1ccc2oc(C(=O)OCc3cc(=O)oc4cc(C)ccc34)c(C)c2c1 4524766 RXXOFYPWNZRTAP-UHFFFAOYSA-N 378.380 4.522 0 40 GJAB COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)cc1 5142187 NFEBIHFGFRPJBI-UHFFFAOYSA-N 393.443 4.686 0 40 GJAB O=C(/N=c1\ss/c(=N\c2ccccc2)n1-c1ccccc1)c1ccccc1 5338308 NAHGOFWKIWKGGK-YEUCEMRASA-N 389.505 4.574 0 40 GJAB Cc1ccc(Nc2nc(COC(=O)Cc3c[nH]c4ccccc34)cs2)cc1 5397297 PMUDSDFOMKSFFJ-UHFFFAOYSA-N 377.469 4.962 0 40 GJAB CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)ccc1O 5438168 RVXDQELNFFGFNG-IGKWTDBASA-N 399.506 4.798 0 40 GJAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(Cl)cc1Cl 6057495 PNZRMVVUDJTENS-UHFFFAOYSA-N 380.271 4.914 0 40 GJAB COc1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)cc1OC 6285279 LSLLPRPTKDQZIK-UHFFFAOYSA-N 375.468 4.542 0 40 GJAB CCOc1cc(/C=C2/Sc3ccccc3C2=O)c(Br)cc1O 6354846 ZYQNIMYLTPERNY-LZYBPNLTSA-N 377.259 4.883 0 40 GJAB O=C1CCCC[C@H]1Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 6529759 XCNNMYLCGISFMM-LJQANCHMSA-N 381.476 4.736 0 40 GJAB O=C(O)CC1(CC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CCCCC1 6590098 ALDOCURTARFJFB-UHFFFAOYSA-N 397.500 4.817 0 40 GJAB CCOc1ccc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 6737005 NWPXBZVCBRZEIR-UHFFFAOYSA-N 399.878 4.840 0 40 GJAB O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 6881128 XBUTXRCMZBFTMA-MRXNPFEDSA-N 390.414 4.610 0 40 GJAB CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2ccc3ccccc3n2)s1 7040697 OGVJLZBEJCKKJC-UHFFFAOYSA-N 398.553 4.934 0 40 GJAB Cc1sc(N[C@H](C)c2ccccc2)nc1-c1ccc(NS(C)(=O)=O)cc1 7109550 YIDLCTZFRHNXMJ-CYBMUJFWSA-N 387.530 4.663 0 40 GJAB COc1ccc(-c2noc(COc3ccc(Cl)cc3Cl)n2)c(OC)c1 7891055 LHKVRDVRWSZXNM-UHFFFAOYSA-N 381.215 4.640 0 40 GJAB O=C(c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1 11692688 ZUMBCVREGBSWRD-HSZRJFAPSA-N 396.425 4.760 0 40 GJAB Cc1ccccc1NC(=O)Cc1csc(SCC(=O)c2ccccc2)n1 12444147 MTXSANRDJDFUOC-UHFFFAOYSA-N 382.510 4.608 0 40 GJAB CCCCC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12541084 HILMIZNIBDAARP-SFHVURJKSA-N 375.394 4.978 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 12603695 MHDVBCLQQRHLOY-HSZRJFAPSA-N 397.478 4.519 0 40 GJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Br)cc1 12618155 GGFHBBCHHLPMPE-UHFFFAOYSA-N 389.224 4.815 0 40 GJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc2ccccc2oc1=O 12972401 MUAXTGCHTRTSMC-NSHDSACASA-N 376.239 4.933 0 40 GJAB CCCOc1c(Cl)cc(/C=C/C(=O)N(C)Cc2ccccc2F)cc1OC 13096235 VDHXCWCTMQJKLY-MDZDMXLPSA-N 391.870 4.948 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 14582478 SHSADIDVGLLJEU-AWEZNQCLSA-N 385.514 4.545 0 40 GJAB CC(=O)NCCNc1nc(-c2cccs2)nc2scc(-c3ccccc3)c12 15171031 NMJVHRBAXFDSDB-UHFFFAOYSA-N 394.525 4.635 0 40 GJAB O[C@H](CNCc1cc(Cl)ccc1OCc1ccccc1F)c1ccccc1 16477449 NAHXOVLQUDUEHZ-OAQYLSRUSA-N 385.866 4.881 0 40 GJAB COc1ccccc1NC(=O)c1cccnc1Nc1ccccc1Br 22072164 HWXDHAZWPWSTHP-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB O=C(Nc1ccc(-n2cc(Br)cn2)cc1)Nc1ccc(F)cc1F 27918021 MMFLCJZYJOKYSE-UHFFFAOYSA-N 393.191 4.557 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1 32836711 ZPAFMFLDKRKFFX-AHPBWDDYSA-N 391.471 4.903 0 40 GJAB Fc1ccc(CSc2nnc(-c3nnc(-c4ccccc4)o3)o2)c(Cl)c1 32922499 TXDHNHJAQYHSGR-UHFFFAOYSA-N 388.811 4.871 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 33565574 CGZZXHAZCMYJDM-QFIPXVFZSA-N 394.515 4.807 0 40 GJAB COC(=O)c1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1 33583053 YMZRXIBHJHGDJI-ZSRMJVKVSA-N 387.435 4.843 0 40 GJAB COc1ccccc1CN(Cc1ncc(-c2ccccc2)o1)C[C@H]1CCCO1 40105467 QBHAGMKJHPTUGP-HXUWFJFHSA-N 378.472 4.531 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)c1C 40159759 VXOMSPJKWDLLDJ-ZDUSSCGKSA-N 399.903 4.558 0 40 GJAB CSc1cccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)c1 41076972 UXNURFGWEAVJDA-UHFFFAOYSA-N 395.528 4.940 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1 45351357 CGFRDTYUPHOYAY-NYHFZMIOSA-N 391.423 4.655 0 40 GJAB COc1ccc(N(C)C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)cn1 58269414 CVZPVSQUQZUTKA-UHFFFAOYSA-N 394.283 4.797 0 40 GJAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Cl)c1ccc[n+]([O-])c1 58347297 QMLCBQITTVFNJJ-UHFFFAOYSA-N 382.891 4.694 0 40 GJAB C[C@@H](Cc1c(F)cccc1F)NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 59853981 KYYHNQVFRWFCLH-LBPRGKRZSA-N 386.364 4.756 0 40 GJAB Cc1c(C(=O)Nc2ccc3oc(=O)ccc3c2)oc2ccc(Br)cc12 72012415 FQAQCISJSYQVOM-UHFFFAOYSA-N 398.212 4.862 0 40 GJAB Cc1nnc(Nc2cccc(C3CCN(Cc4ccc(F)cc4)CC3)n2)s1 72376125 PXDVIBYVBNOZQT-UHFFFAOYSA-N 383.496 4.504 0 40 GJAB O=C(NCCCc1ccccc1)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 90613867 PUIAMJRRSGMMBU-LJQANCHMSA-N 393.314 4.709 0 40 GJAB CC(C)c1nccn1Cc1cccc(NC(=O)N2CC=C(C(F)(F)F)CC2)c1 95441695 WIFDSHULOSXWPX-UHFFFAOYSA-N 392.425 4.781 0 40 GJAB COc1cc(N)c(Cl)cc1C(=O)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166721 KRDILUFFWNMZAZ-HOTGVXAUSA-N 388.870 4.621 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)c1 103718628 WMYGMZYXLOFOHC-GFCCVEGCSA-N 396.796 4.659 0 40 GJAB CCOc1cc(C(=O)OC)cc(Br)c1OCc1ccc(C)cc1 216831661 QQSNTPCCINVBSS-UHFFFAOYSA-N 379.250 4.522 0 40 GJAB Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(OCc2ccccc2)c1 218978864 ZZTPNAQXQSTZIB-LJQANCHMSA-N 375.468 4.771 0 40 GJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)S1 222628296 MIPCOLXPXWDSPF-ZNOIYHFQSA-N 395.919 4.510 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(CC)cc1 222886580 VWAQIDUEIUOXMC-NRFANRHFSA-N 382.504 4.575 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 222975540 DYXLANIWFDYLBP-SFTDATJTSA-N 394.519 4.784 0 40 GJAB CCOc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1Cl 223735557 TXEYSXFYNUTZGL-UHFFFAOYSA-N 375.896 4.845 0 40 GJAB O=C(CSCc1ccc(Cl)cc1F)NCCSC1CCCCC1 224516827 HLTUWMDTJVLITN-UHFFFAOYSA-N 375.962 4.894 0 40 GJAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccccc1OC 224580168 FLXKXNWTLAFJLJ-UHFFFAOYSA-N 383.488 4.689 0 40 GJAB C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC(C)(C)C)n2)C1 225895323 MNMXURNOCQCESC-HNNXBMFYSA-N 399.564 4.590 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(Br)c(N)c2)o1 226305170 ZAPSSYNDUOWSIV-TXEJJXNPSA-N 377.282 4.694 0 40 GJAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)cc1C 409246219 GMNLSGHDNJQQIG-UHFFFAOYSA-N 396.556 4.728 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ncccc3-c3ccccc3)c3c2CCC3)cc1 541877160 PUNIUFKVDZVKTJ-UHFFFAOYSA-N 394.478 4.984 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)CCc2ccccc2F)CN1c1cccc(F)c1 1615127575 SDQWANWXCAVVEH-DEOSSOPVSA-N 398.497 4.948 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)c1nn2c(Cc3ccccc3)nnc2s1 632787 FXNJLXGHMNOBOS-UHFFFAOYSA-N 384.892 4.744 0 40 GJAB Cc1ccc(NC(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)c(C)c1 713071 DISYEPKLKQUCSS-GOSISDBHSA-N 388.467 4.962 0 40 GJAB COc1ccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)c(OC)c1 786888 BDDXWKVTJPENKC-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 940187 JYZFPKOASPALAK-QGZVFWFLSA-N 390.270 4.568 0 40 GJAB COc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)cc2c1 1248736 FGCSYXAHABEPBX-OAQYLSRUSA-N 393.874 4.903 0 40 GJAB COc1ccc(OC)c(C(=O)CSc2nc(C(C)(C)C)nc3ccccc23)c1 1342565 GPLXSPWLKFNDCM-UHFFFAOYSA-N 396.512 4.920 0 40 GJAB CCCn1nc(C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc2c1=O 2644759 HWMCIVQQLBVIAE-UHFFFAOYSA-N 399.450 4.851 0 40 GJAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 3311948 VUIMPBOSQSNAHS-CQSZACIVSA-N 390.528 4.596 0 40 GJAB COc1cccc(/C=C/C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1 3324068 ZMSIGPGUYOWRPX-FMIVXFBMSA-N 384.431 4.706 0 40 GJAB Cn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccccc1F 3350716 LRDUVTRGOJDKPZ-UHFFFAOYSA-N 377.444 4.749 0 40 GJAB CSc1cccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 4033609 PULFTENRZRLRLP-MRXNPFEDSA-N 379.529 4.935 0 40 GJAB COc1ccc(Cc2nc3ccccc3n2C[C@@H]2CC2(Cl)Cl)cc1OC 4385583 JWHPUFQBHSAJQR-AWEZNQCLSA-N 391.298 4.838 0 40 GJAB Cc1ccc2cccc(OS(=O)(=O)c3cc(C)c(Cl)cc3Cl)c2n1 4498933 HSYCEBDDIBVOPD-UHFFFAOYSA-N 382.268 4.926 0 40 GJAB Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C(=S)Nc2ccccc2)cc1 4857331 HRFSDFIQOUMVGP-SEJPIABJSA-N 393.556 4.507 0 40 GJAB N[C@H](CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 5119077 UXPCZHNBGISJOQ-OAQYLSRUSA-N 377.509 4.514 0 40 GJAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1Cl 5216217 OEIJFUAVVLJDAF-HARLFGEKSA-N 399.918 4.857 0 40 GJAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2ccco2)c(C)c1 5451641 HKZSNWWSWQSAQM-HSZRJFAPSA-N 388.467 4.634 0 40 GJAB CCOC(=O)[C@H]1CCCN(C(=O)N2c3ccccc3Sc3ccccc32)C1 5561400 CEVIWJQBCSMWNQ-HNNXBMFYSA-N 382.485 4.684 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 6086174 VPGNFKIYGWRUCH-UHFFFAOYSA-N 390.283 4.935 0 40 GJAB O=C(NCCCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1 6610926 NHLDKLKBBLZJDJ-UHFFFAOYSA-N 387.508 4.963 0 40 GJAB COc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1Br 6846879 ULVYXADNFHNRCN-UHFFFAOYSA-N 386.698 4.842 0 40 GJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cccc(Cl)c1Cl 7725991 MVVPFCWDHACXDE-UHFFFAOYSA-N 379.243 4.820 0 40 GJAB C[C@@H](OC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)N1CCCCCC1 7832091 CYKUINCEYWOBMM-CQSZACIVSA-N 375.852 4.548 0 40 GJAB Cc1ccsc1CN(C)C(=O)COc1ccc(OCc2ccccc2)cc1 7986668 PUWYWGKGPFRASG-UHFFFAOYSA-N 381.497 4.673 0 40 GJAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@H](C)c1ccccc1 8187245 KHTZLDUNVVHBCW-ZIAGYGMSSA-N 398.557 4.700 0 40 GJAB O=C(Cc1ccccc1)Nc1ccc(Cl)cc1NC(=O)Cc1ccccc1 8191190 BFUPWMUAODRBLD-UHFFFAOYSA-N 378.859 4.702 0 40 GJAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 9063675 KMONLDITIFXKJL-UHFFFAOYSA-N 390.886 4.647 0 40 GJAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccn4)ccc3o2)cc1 9660099 RKFBUEOSXZGMKR-UHFFFAOYSA-N 386.407 4.506 0 40 GJAB biogenic Cc1nc(Cc2nnc(SCC(=O)c3ccc4ccccc4c3)o2)cs1 10022578 OHBPUBQJHUCSAR-UHFFFAOYSA-N 381.482 4.554 0 40 GJAB Cn1ccnc1[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 10260876 LPHDFVUXGQIEHC-MRXNPFEDSA-N 375.259 4.638 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)cc1 11914570 XTYVJASMNQMOQI-UHFFFAOYSA-N 393.439 4.619 0 40 GJAB CN(C(=O)Nc1ccc(F)cc1F)[C@H](c1ccc(Cl)cc1)c1nccn1C 12603527 HTLQDUZYPQSMOK-QGZVFWFLSA-N 390.821 4.605 0 40 GJAB Cc1occc1-c1nc(NCc2ccccc2Cl)ncc1-c1cnccn1 12739622 AADIXDHGODTPHV-UHFFFAOYSA-N 377.835 4.768 0 40 GJAB Cc1cc(C)cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 12843027 HLMAFSWQFWXVBP-UHFFFAOYSA-N 392.421 4.940 0 40 GJAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1cccc[n+]1[O-] 12873916 CPUDQRJEVAHDPY-UHFFFAOYSA-N 380.856 4.633 0 40 GJAB Cc1ccc(C)c(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2)c1 13552972 HBLXINOTRFFPHP-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1NC(=O)c1ccco1 14084840 CFBLMAILMUEVNZ-UHFFFAOYSA-N 388.876 4.827 0 40 GJAB Cc1nc(COc2ccccc2/C=C/C(=O)NC[C@@H](C)c2ccccc2)cs1 14484753 GTYLJQUOKUKUKN-GZKZCVOOSA-N 392.524 4.964 0 40 GJAB COc1ccc(Cl)cc1-c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 15083065 CUZHTVFUHSFAJX-UHFFFAOYSA-N 391.283 4.619 0 40 GJAB Cc1ccc(S[C@@H]2CSc3nc(C)cc(=O)n3[C@@H]2c2ccccc2)cc1 16779213 YRISKBSJAJBYEM-UYAOXDASSA-N 380.538 4.716 0 40 GJAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1nc(-c2cn(C)nc2C)cs1 19718671 KCSANQYTDBWJBM-UHFFFAOYSA-N 397.891 4.614 0 40 GJAB C[C@H](N[C@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 21796118 QTCZIIMWGLGSEB-NEPJUHHUSA-N 386.801 4.916 0 40 GJAB Cc1cccc(NC(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)c1 22907677 BXORFMYRJPHIAS-OAQYLSRUSA-N 391.540 4.978 0 40 GJAB Cc1c(C(=O)N(CCc2ccccn2)Cc2ccco2)oc2ccc(F)cc12 27991721 PCHZFJBQLAACBJ-UHFFFAOYSA-N 378.403 4.753 0 40 GJAB C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)n1c(=S)[nH]c2ccccc2c1=O 32032787 ILEKFESYNXDVMW-ZDUSSCGKSA-N 381.501 4.556 0 40 GJAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 32622183 GKVLDQVGXHNJGD-FQEVSTJZSA-N 397.906 4.808 0 40 GJAB Cc1ccc2nc(CSCc3csc(-c4ccccc4)n3)cc(=O)n2c1 32778693 PFWMOBULGXCHKC-UHFFFAOYSA-N 379.510 4.560 0 40 GJAB COc1ccccc1-c1cc(COC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)on1 32865976 BCURJSZZVGPEMM-UONOGXRCSA-N 379.412 4.592 0 40 GJAB CCC[C@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1 36661653 VJZKYQACSOQKBV-KRWDZBQOSA-N 377.488 4.525 0 40 GJAB Cc1ccc2c(c1)S[C@@H](C(=O)NCc1cccnc1Oc1cccc(F)c1)C2 46748899 DYXZBSBAEMKJIW-HXUWFJFHSA-N 394.471 4.655 0 40 GJAB C[C@H](NCc1ccccc1F)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 58160538 ICKLUSBKSYFWTG-VIFPVBQESA-N 375.658 4.903 0 40 GJAB Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c(O)c1 58433220 LVYGWMVACVNNOY-UHFFFAOYSA-N 391.452 4.781 0 40 GJAB Cc1cc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc(-c2ccccn2)n1 68669603 ARHZABNZPPRAMG-UHFFFAOYSA-N 392.890 4.600 0 40 GJAB CCOc1ccc(NC(=O)[C@@H](Oc2ccc(OC)cc2)c2ccccc2)cc1 80344416 PZHAETXZSHMDCM-QFIPXVFZSA-N 377.440 4.853 0 40 GJAB Cc1cccc(N2C(=O)/C(=C\Nc3ccccc3Cl)c3ccccc3C2=O)n1 102330787 YOVDCTUUSQPEBJ-LGMDPLHJSA-N 389.842 4.683 0 40 GJAB CC(C)c1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4cccnc4)C3=C(O)C2)cc1 102402299 YFDKDMBEMLIUAD-XMSQKQJNSA-N 385.471 4.862 0 40 GJAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1ccccc1Br 214974452 WUVRZDRWQGRPDR-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB CSc1nnc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)s1 223189423 YSLNKFHIVFOGCV-UHFFFAOYSA-N 391.905 4.745 0 40 GJAB Cc1ccccc1O[C@@H](C)C(=O)Nc1nnc(SCc2ccccc2)s1 225223413 QYFMPDVUGZVRAR-AWEZNQCLSA-N 385.514 4.545 0 40 GJAB CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 225355132 MNJWRNSSZLGVGD-UHFFFAOYSA-N 398.978 4.993 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 225800090 NMZSYMPWBSJLTE-KRWDZBQOSA-N 399.541 4.935 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCC)c(C(=O)OCC)c1 225802131 COMLBURLZYITQM-JOCHJYFZSA-N 393.524 4.966 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225842063 NGHALDUVHRGCMO-VFNWGFHPSA-N 379.497 4.574 0 40 GJAB CCN(C(=O)C(F)(F)F)c1cc(-c2cc3ccccc3oc2=O)ccc1F 226358323 XGSJGJBGEAATOB-UHFFFAOYSA-N 379.309 4.514 0 40 GJAB CO[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1cc2ccccc2o1 253470986 AJZZRHKRZDDEBG-KRWDZBQOSA-N 378.350 4.961 0 40 GJAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc(Cl)c3)nc12 408628940 YKQXVQOYIGZLNE-UHFFFAOYSA-N 375.906 4.693 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OC(F)F 409362996 IBMDBRGPEAEELE-LFIBNONCSA-N 391.395 4.928 0 40 GJAB C[C@@H]1CCC[C@H](CC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)C1 504253449 ZRUVWWVAUWBSDR-KURKYZTESA-N 379.504 4.728 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)CCCn4ccnc4)cc3)sc2c1 623237435 LFFRWOPLXOTFJL-UHFFFAOYSA-N 376.485 4.887 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)CC[C@@H]2N1c1cccc(F)c1 1615158068 QBOJMSKYSUKPJI-QRWLVFNGSA-N 388.433 4.624 0 40 GJAB O=C(CSc1nc(C2CCCCC2)nc2ccccc12)NCc1ccco1 1376434 TUMJQFRANSTLTQ-UHFFFAOYSA-N 381.501 4.679 0 40 GJAB COc1ccccc1-c1csc(NC(=O)c2cccc(Br)c2)n1 1510222 MHOFZOHTCXWIBS-UHFFFAOYSA-N 389.274 4.834 0 40 GJAB COc1cccc(OC)c1C(=O)Oc1ccc2c(Br)cccc2c1 2069705 NGJCICWKXULPAA-UHFFFAOYSA-N 387.229 4.839 0 40 GJAB Cc1sc2nc(SCc3ccc(Br)cc3)n(C)c(=O)c2c1C 2387644 DZWOUQFYZUSWMC-UHFFFAOYSA-N 395.347 4.667 0 40 GJAB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O 2965394 HWJWZFHBKOBSQE-KRWDZBQOSA-N 383.904 4.888 0 40 GJAB CCc1ccc(Nc2nnc(SCC(=O)NCC3CCCCC3)s2)cc1 3461505 FKSBLZSVVATVCM-UHFFFAOYSA-N 390.578 4.633 0 40 GJAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)C1 4651458 DKBMKSLNFMHPCW-LSDHHAIUSA-N 390.892 4.849 0 40 GJAB CCOc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1 4749422 QSIANECXYMVURA-UHFFFAOYSA-N 389.337 4.924 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1ccccc1C(F)(F)F 5099264 VQFPQCLTNRWMKK-UHFFFAOYSA-N 388.389 4.647 0 40 GJAB CC[C@H](C)NC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 5100341 XINPKFPJMYCGOQ-HNNXBMFYSA-N 391.519 4.586 0 40 GJAB CCn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1ccccc1 5318577 KHBKHAIMRNURFY-UHFFFAOYSA-N 387.892 4.682 0 40 GJAB COc1cc2sc(NC(=O)COc3ccc(C)cc3C)nc2cc1Cl 6472814 RKBNCFKHZUEFJE-UHFFFAOYSA-N 376.865 4.593 0 40 GJAB O=C(CSCc1cc(=O)oc2cc3c(cc12)CCC3)NC1CCCCCCC1 6654563 GKXDNYROAAULBZ-UHFFFAOYSA-N 399.556 4.744 0 40 GJAB Cc1ccnc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)c1 6969464 JIDLNEAIYNWMGG-RVFNTIOESA-N 396.560 4.887 0 40 GJAB COc1cccc(NC(=O)[C@H](Nc2ccc(OC)c(OC)c2)c2ccccc2)c1 7239387 GGAWXHVEWVPNEW-JOCHJYFZSA-N 392.455 4.504 0 40 GJAB Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)s1 7654921 GRRVRSGIXGMQEB-AWEZNQCLSA-N 384.530 4.734 0 40 GJAB COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1O 8112374 UEOGKLDTBRQRRJ-UDWIEESQSA-N 391.448 4.791 0 40 GJAB CCc1nnc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)s1 8280193 WSJSSXVJYCQTFC-UHFFFAOYSA-N 376.441 4.675 0 40 GJAB Cc1noc(C)c1C(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 8720070 CSURXPPWKRRCOO-UHFFFAOYSA-N 382.370 4.956 0 40 GJAB COc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)cc1 11614484 OOIXAEFDEPMYGW-OAQYLSRUSA-N 383.403 4.551 0 40 GJAB Cc1cc(C)cc(NC(=O)c2c(N)c(C(=O)c3ccccc3)n3ccccc23)c1 12342026 HMHXEVHXIVDIFF-UHFFFAOYSA-N 383.451 4.622 0 40 GJAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1F 12558926 WDCZOWVAAXTWSE-AWEZNQCLSA-N 375.875 4.909 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC([C@@H](O)c2ccccc2)CC1 12802579 VAZMGKVSUICIFW-SFHVURJKSA-N 379.287 4.971 0 40 GJAB Cc1csc(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)n1 12877202 VOZKGAMTTONZSK-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccccc1Cl 12897081 QIBIUDNQPZFJSW-UHFFFAOYSA-N 375.255 4.897 0 40 GJAB CCCc1nc2ccccc2n1CC(=O)N(COCC)c1c(C)cccc1CC 13017753 QJMZZYJPYXJXQK-UHFFFAOYSA-N 393.531 4.887 0 40 GJAB Clc1ccc(OCc2nnc(SCc3cc(-c4ccco4)on3)[nH]2)cc1 14198927 PCTRRMUPALAKMQ-UHFFFAOYSA-N 388.836 4.577 0 40 GJAB Fc1ccccc1Cc1nnc2sc(-c3ccc(C(F)(F)F)cc3)nn12 19910094 FQILPVAUZVBVIL-UHFFFAOYSA-N 378.354 4.602 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccn2)c2ccccc2)cc1 19926811 BZTJWQWGWGOGRY-FQEVSTJZSA-N 392.480 4.730 0 40 GJAB C[C@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1 21805961 YVHDVDWLSLMOTR-JTQLQIEISA-N 384.427 4.600 0 40 GJAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)cc1 22181514 HEAVEAOAPYSRLA-KRWDZBQOSA-N 399.498 4.874 0 40 GJAB Cc1ccccc1-n1ccnc1S[C@@H](C)C(=O)Nc1cccc2ncccc12 25400595 QGWDBZVQLKCHII-INIZCTEOSA-N 388.496 4.848 0 40 GJAB COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(Cl)c(C)c2)cc1 27795696 AKGGZWZVTNVLMJ-UHFFFAOYSA-N 385.847 4.862 0 40 GJAB Cc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 33012569 JTBPUJDRIVNHOL-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB COc1cc(CNCCCC(C)C)ccc1OCC(=O)Nc1cccc(C)c1 36612677 VOILYGHHMKZQNB-UHFFFAOYSA-N 384.520 4.547 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1 40128064 VEXJNPNORFVMQX-UHFFFAOYSA-N 390.487 4.827 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(OCc2cccnc2)cc1 48356455 HMLWBQAXIDWCEB-UHFFFAOYSA-N 386.373 4.609 0 40 GJAB COc1ccc([C@H](NCC(=O)N(Cc2ccco2)c2ccccc2)C(C)C)cc1 49625240 YQHFAMWPMPQEDJ-XMMPIXPASA-N 392.499 4.808 0 40 GJAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)cc(C)c1I 57315848 IRNZXNXBEPLQNT-UHFFFAOYSA-N 399.659 4.743 0 40 GJAB CCCCc1ccc(NC(=O)Cn2cnc3c(sc4ccccc43)c2=O)cc1 57508006 ZJNLSYLHSVPFIR-UHFFFAOYSA-N 391.496 4.593 0 40 GJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1nc2ccccc2nc1Cl 64811144 WKRHDTTYSKOHOR-UHFFFAOYSA-N 376.847 4.629 0 40 GJAB CC(C)(C)c1ccc(Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)cc1 67257985 ZCVHYQAZLDOHMF-UHFFFAOYSA-N 390.508 4.560 0 40 GJAB Fc1ccc(-c2nnn3c2nc(NCc2ccccc2F)c2ccccc23)cc1 67261394 OIWUSNFIFWRYFU-UHFFFAOYSA-N 387.393 4.835 0 40 GJAB CC(=O)N1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215676 GVSBIITWSIALFZ-IBGZPJMESA-N 387.524 4.839 0 40 GJAB CCCCOc1ccccc1-c1cc(C(=O)N[C@@H]2CCc3ccccc32)[nH]n1 72331606 FNALCNOTSBORCF-LJQANCHMSA-N 375.472 4.673 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 80329315 OVBDHPPRUUYMEV-MGPUTAFESA-N 390.936 4.539 0 40 GJAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@H]3c2cccc(Cl)c2)cc1 95472729 REWBGIQEVZBAPD-KRWDZBQOSA-N 399.859 4.648 0 40 GJAB CCc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1 102225237 ARCNXIOSYKFQRU-QFBILLFUSA-N 387.277 4.781 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2Cl)C[C@H](c2ccccc2O)C1 102601240 YFGMLQVDSWYVQU-YUNKPMOVSA-N 392.846 4.702 0 40 GJAB CCCS[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C)c(C)c3)nn21 103319887 XNVAROWFPBTHKD-NRFANRHFSA-N 378.501 4.614 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 105606815 CJNIRBOGIIDHOU-DLBZAZTESA-N 383.488 4.534 0 40 GJAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222585663 AXLBDFUAKRFIPY-QHCPKHFHSA-N 394.559 4.507 0 40 GJAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)S1 222623962 ZVLNZFDLYYJSRA-GKCIPKSASA-N 378.476 4.601 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1 223746521 PCLBSKYDSUUZQB-RTBURBONSA-N 381.526 4.637 0 40 GJAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224479866 VIGOPHGTRWDHOA-MOPGFXCFSA-N 382.920 4.734 0 40 GJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 224540645 HBQGAGXTCSRENH-QHCPKHFHSA-N 394.559 4.507 0 40 GJAB COc1cc(CNC(=S)Nc2cccc(OC(C)C)c2)ccc1OC(C)C 225532044 PXIYFHSVFWMSGP-UHFFFAOYSA-N 388.533 4.756 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(OC)c(OC)c1 225720673 POHQJYVMKCXPJU-SFHVURJKSA-N 388.533 4.929 0 40 GJAB Clc1ccc(N2CCOCC2)c(NCc2ccc(Br)cc2)c1 226240418 DIZXLFPZUHLTRW-UHFFFAOYSA-N 381.701 4.551 0 40 GJAB CCN1CC2(CCC(N(C)C[C@@H]3CC=CCC3)CC2)Oc2ccccc2C1=O 257312696 UPEHTLABULOEEQ-KDARRYODSA-N 382.548 4.511 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccc1O 409412545 XBWCPHKPIVMINT-UHFFFAOYSA-N 396.516 4.525 0 40 GJAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccccc1Br 575618518 BYXCFNBSPSDVMH-UHFFFAOYSA-N 396.288 4.901 0 40 GJAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc3c(cc12)CCC3 663519 FKIYOHGPYAEZLZ-UHFFFAOYSA-N 377.391 4.638 0 40 GJAB CC1(C)COC(c2cc3ccc2CCc2ccc(cc2Br)CC3)=N1 719504 ZDZJVJSKZYICMA-UHFFFAOYSA-N 384.317 4.888 0 40 GJAB S=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccccc2)CC1 939656 FOWZNHSTVPUTJX-UHFFFAOYSA-N 388.536 4.763 0 40 GJAB COc1ccc(Nc2nc3ccccc3c3nnc(-c4ccccc4F)n23)cc1 1384952 QDVQTHYNFLUGOV-UHFFFAOYSA-N 385.402 4.836 0 40 GJAB CCOc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OC4CCCC4)c3C)C2)cc1 1422018 QUGCFCBJNGKMKG-INIZCTEOSA-N 381.472 4.734 0 40 GJAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)Nc1cccc(Cl)c1 2252478 BHFHEMYDXGGKJH-UHFFFAOYSA-N 375.787 4.781 0 40 GJAB Cc1ccc(-n2c(SCc3ccc(C)c(C)c3)nnc2-c2cnccn2)cc1 2323733 VZMOVSFGNGYMEA-UHFFFAOYSA-N 387.512 4.942 0 40 GJAB Brc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccccc1)=N2 3098623 UJDZNYGANGLCIA-UHFFFAOYSA-N 376.257 4.883 0 40 GJAB O=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1nc2ccccc2s1 4356410 XSDYGWIFBKGMLZ-UHFFFAOYSA-N 396.472 4.623 0 40 GJAB CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)cc1 4614553 SYMHCTPDXDKNHO-JFRXWTBNSA-N 398.528 4.694 0 40 GJAB CCn1c(SCc2cccc(Br)c2)nnc1-c1ccc(N)cc1 4676535 ANNBVXYUKIUIJJ-UHFFFAOYSA-N 389.322 4.602 0 40 GJAB COc1cccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3cc(C)ccn23)c1 4790934 ZDYZRYVZVOCONS-UHFFFAOYSA-N 375.403 4.710 0 40 GJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 4911469 OBYDXPYSKGRFJR-INIZCTEOSA-N 399.487 4.600 0 40 GJAB Cc1ccc(Cn2c(CCNC(=O)c3cccc(C)c3)nc3ccccc32)cc1 5545839 BBQYXSTUSXOGNA-UHFFFAOYSA-N 383.495 4.674 0 40 GJAB aggregator CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C(C)C)cc1 5735338 FWONXBXDDJZNKB-SFHVURJKSA-N 389.521 4.513 0 40 GJAB COc1ccc(Nc2nc(CSc3nnc4n3CCCCC4)cs2)cc1 6096984 ARPXEOWIDPBLQN-UHFFFAOYSA-N 387.534 4.506 0 40 GJAB CC(C)COC(=O)N[C@@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6357959 LAAFXVOMOBBINL-RNXZQOMOSA-N 398.547 4.864 0 40 GJAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O 7087444 XZTNALNZTSOERV-SFHVURJKSA-N 395.311 4.553 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncnc3sc(C)c(C)c23)c1C 7643761 QDEUCETWRIZYTO-CYBMUJFWSA-N 387.530 4.819 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 7882240 KLHWXFNUIZSKRJ-JTQLQIEISA-N 383.662 4.638 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)c1nccnc1-c1nc2ccccc2s1 7919913 VWPRSKYPSJESBW-UHFFFAOYSA-N 384.823 4.798 0 40 GJAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C(C)C 8041440 TWVFTURURAMYEP-UHFFFAOYSA-N 388.316 4.604 0 40 GJAB CCN(CC)[C@H](CNC(=O)CSc1ccc2ccccc2c1)c1ccco1 8404675 PSFPTZOTPCQILQ-HXUWFJFHSA-N 382.529 4.724 0 40 GJAB O=S(=O)(c1ccc(Cl)s1)N1CCCC[C@@H]1c1nc2ccccc2s1 8405887 FTOCGQHRQWVXBD-GFCCVEGCSA-N 398.962 4.927 0 40 GJAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1N1CCOCC1 8727637 AJFTZNVBDXBCKP-UHFFFAOYSA-N 399.705 4.665 0 40 GJAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 8755331 VUVWPZQFFJYENA-UHFFFAOYSA-N 384.785 4.508 0 40 GJAB Cc1cc(C(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c(C)n1Cc1ccco1 8922707 ZHHVPAZLKPXNCW-ZDUSSCGKSA-N 395.430 4.837 0 40 GJAB O=C(Nc1ccccc1C(=O)NCCCn1ccc2ccccc21)c1ccccc1 9338983 RGSIHSUONTWVIS-UHFFFAOYSA-N 397.478 4.714 0 40 GJAB C[C@@H](Oc1ccc(NC(=O)c2ccccc2)cc1)C(=O)NC1CCCCCC1 9389444 JGITYNCIHBKNJB-QGZVFWFLSA-N 380.488 4.545 0 40 GJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)ccc1C 9665740 OYJRGONBGSUZJQ-UHFFFAOYSA-N 394.544 4.627 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 9865701 IEHGBRWJPJAJID-UHFFFAOYSA-N 390.487 4.713 0 40 GJAB CC[C@@H](C(=O)Nc1cccc(-c2cn3nc(OC)ccc3n2)c1)c1ccccc1 11693392 BLNJJHZAJNCPGQ-LJQANCHMSA-N 386.455 4.537 0 40 GJAB C[C@H](NC(=O)CN(C)Cc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 12692097 OSDHJYNXFKBBSR-SFHVURJKSA-N 376.475 4.802 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCCC2 12844895 DLEBAROHOQDSIZ-UHFFFAOYSA-N 385.817 4.771 0 40 GJAB CCc1ccc(-c2noc(CSCc3cc(C(C)=O)ccc3OC)n2)cc1 12986299 YEXYBSMVPXYOBS-UHFFFAOYSA-N 382.485 4.944 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2nonc2-c2ccc(C(C)C)cc2)cc1OC 13730107 MUAUYTYHXAITKT-WUXMJOGZSA-N 393.443 4.529 0 40 GJAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@H](Cc1ccccc1)c1ccccc1 14237031 BNQTTXZKRYADEE-ISKFKSNPSA-N 398.506 4.678 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)COc2cccc3ccccc23)c(OC)c1 15829782 YWHJLSQLLXVOCA-OAQYLSRUSA-N 391.467 4.600 0 40 GJAB CCCOC(=O)c1cccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c1 15838582 TZMLSNVNBCUOJG-UHFFFAOYSA-N 383.831 4.835 0 40 GJAB Cc1cc(-c2c[nH]nc2[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)on1 19121062 XCWAFYLPGLMXJO-OAHLLOKOSA-N 391.258 4.657 0 40 GJAB Cc1noc2nc(C3CCN(Cc4ccc(F)cc4)CC3)cc(C(F)F)c12 19565020 YIIOENSHQXFBMH-UHFFFAOYSA-N 375.394 4.988 0 40 GJAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1cccc(Br)c1 20137969 VVYULXOJMXCRAW-UHFFFAOYSA-N 389.032 4.706 0 40 GJAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3cccc(C)c3)sc2c1 20411518 YTAOIDFKNNRRCP-UHFFFAOYSA-N 398.484 4.579 0 40 GJAB Cc1ccc(S(=O)(=O)N(C)Cc2csc(-c3ccccc3Cl)n2)cc1 22006247 LGAYOHNKKMOTRB-UHFFFAOYSA-N 392.933 4.593 0 40 GJAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccc(C(C)C)cc1 22073067 PEOGLLYLUADGGB-UHFFFAOYSA-N 375.472 4.887 0 40 GJAB Cc1cccc(NC(=O)c2c(N)n(C(=O)c3ccc(F)cc3)c3ccccc23)c1 28535207 DSIUTTAYYGSMEB-UHFFFAOYSA-N 387.414 4.612 0 40 GJAB Cc1ccc2c(COC(=O)Cc3coc4cc5c(cc34)CCC5)cc(=O)oc2c1 28918529 TXQANQPOYXNLEX-UHFFFAOYSA-N 388.419 4.622 0 40 GJAB CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)[C@@H](c2ccccc2)C1 30997344 VYOXGQUWQAVHSP-RUZDIDTESA-N 384.523 4.724 0 40 GJAB c1ccc(-c2nc3ccccn3c2CSc2nncn2-c2ccccc2)cc1 32671879 BWIOPBXUGBGMBL-UHFFFAOYSA-N 383.480 4.874 0 40 GJAB CCCCN(C(=O)c1ccc(OC(C)=O)cc1)c1nc2ccc(C)cc2s1 32674914 NPVDUEQJNNIRGF-UHFFFAOYSA-N 382.485 4.977 0 40 GJAB Cc1ccccc1NC(=O)N1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1C)C2 35314825 IQQLQBBPZAWMGH-IHWFROFDSA-N 391.515 4.651 0 40 GJAB O=C(Nc1ccccc1Oc1ccccc1)N1CCN(c2ccccc2O)CC1 40099138 BVPJVQOBQNELAM-UHFFFAOYSA-N 389.455 4.539 0 40 GJAB CC(=O)N1CCc2cc(C(=O)N[C@H](C)Cc3ccc(-c4ccccc4)cc3)ccc21 40145889 IJDOTRMIKXMUNC-GOSISDBHSA-N 398.506 4.624 0 40 GJAB COc1ccc(-c2nc3ccc(NC(=O)COc4ccc(C)cc4)cc3o2)cc1 41086050 LZXDPBKBBLXQRR-UHFFFAOYSA-N 388.423 4.829 0 40 GJAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 44837401 UQSYZPZPYHDOMU-UHFFFAOYSA-N 376.641 4.745 0 40 GJAB Cc1c([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)oc2ccccc12 46651263 IQHWNHKPFLUKFI-JKSUJKDBSA-N 396.512 4.532 0 40 GJAB Cc1cc(=O)oc2cc(NC(=O)N(Cc3ccc(Cl)cc3)C3CC3)ccc12 57938060 ANTUIJPGOJGYRE-UHFFFAOYSA-N 382.847 4.951 0 40 GJAB O=C(CNc1ccccc1Cl)Nc1ccc(-c2cn3ccsc3n2)cc1 58417394 YBBYIHCMBLAMRT-UHFFFAOYSA-N 382.876 4.767 0 40 GJAB CSc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 58426239 LHXCUWHVHTWZJG-JTQLQIEISA-N 376.532 4.591 0 40 GJAB COc1c(C)cnc(CN(C)C(=O)c2cc(C(C)C)nc3ccccc23)c1C 58957998 LGRFKLLMKLGOKI-UHFFFAOYSA-N 377.488 4.651 0 40 GJAB CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(Oc2cccnc2)cc1 66511787 NAGPHARYIUDMLO-JOCHJYFZSA-N 388.467 4.866 0 40 GJAB Cc1ccccc1-c1cncc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 72359633 NLVKYANYOOHQKU-UHFFFAOYSA-N 389.474 4.540 0 40 GJAB COc1c(Cl)cc(Cl)cc1CNCCc1nc2cc(C)ccc2n1C 78823150 HFABXPHOSYFZKX-UHFFFAOYSA-N 378.303 4.529 0 40 GJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@H]4C(C)C)cc1 85876214 VSQQMYONTPPWHC-HNNXBMFYSA-N 394.423 4.526 0 40 GJAB biogenic O=C(Nc1ccc(-c2ccccn2)cn1)c1csc(Cc2ccc(F)cc2)n1 95977621 NSDRCXUZMXNVTP-UHFFFAOYSA-N 390.443 4.582 0 40 GJAB O=C(CCn1ccc2ccccc21)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 96344510 IGFHBMSXCHIYOP-HXUWFJFHSA-N 375.447 4.846 0 40 GJAB CCOc1ccccc1N/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 103004396 MYYJUIQJVVIZJX-LTGZKZEYSA-N 398.462 4.721 0 40 GJAB Cc1nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)ccc1Cl 223981205 LEUGNLDAIMMOEQ-UHFFFAOYSA-N 377.916 4.981 0 40 GJAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2ccccc2C)c1 224103255 RNDRLGGADPGVQY-UHFFFAOYSA-N 391.467 4.521 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCCCC1 225657408 PITQHXZENWXHFR-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB O=Cc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 226317976 KIEQJVCIFISMIB-UHFFFAOYSA-N 383.572 4.565 0 40 GJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 408575333 JWVTYGZMLGNDSD-CAPFRKAQSA-N 388.467 4.987 0 40 GJAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3O)nc2c1 408624882 DCRMBHNXKFEFSL-UHFFFAOYSA-N 397.500 4.676 0 40 GJAB Cc1s/c(=N\C(=O)c2ccccc2)n(C)c1-c1ccc(Br)cc1 409196075 SRTXDHSMGOWGQA-ZZEZOPTASA-N 387.302 4.566 0 40 GJAB COc1ccc([C@H](CN(C)C)NCc2ccc(Oc3cccnc3)c(C)c2)cc1 585081281 PCAYLONVOJEYAE-QHCPKHFHSA-N 391.515 4.583 0 40 GJAB CC(=O)N1CCCCCCCCN(CC(=O)OC(C)(C)C)Cc2ccccc21 643574241 KVOMKKULTPLVKR-UHFFFAOYSA-N 388.552 4.537 0 40 GJAB O=C(c1cccc(-c2c(F)cccc2F)c1)N1CC(c2nc3ccccc3[nH]2)C1 677437357 XEPCCQKHDCGBRQ-UHFFFAOYSA-N 389.405 4.748 0 40 GJAB Cc1ccc(CC(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1 1521673726 RURGTAXFDHVEOD-JOCHJYFZSA-N 386.486 4.548 0 40 GJAB CCOc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1 853636 VEFVVGLBSCBGSM-UHFFFAOYSA-N 399.541 4.700 0 40 GJAB CC(C)(C)c1ccc2c(c1)O[C@@](NC(=O)Nc1cccc(F)c1)(C(F)(F)F)O2 937887 GCFWMRNEBCIKRN-LJQANCHMSA-N 398.356 4.932 0 40 GJAB CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CCCCC2 948412 XHQRHYFLMDVIQW-ZHACJKMWSA-N 375.515 4.907 0 40 GJAB CCOC(=O)c1ccc(Nc2cc(C)nc3ccc(C(=O)OCC)cc23)cc1 952836 KRORMWKLYRGBQD-UHFFFAOYSA-N 378.428 4.640 0 40 GJAB CC[C@@H](C)OC(=O)COc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 957119 GILHRQBZQXCWOM-CYBMUJFWSA-N 386.831 4.834 0 40 GJAB CC(C)COC(=O)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 990252 ZLEVUYWMCNCPEI-UHFFFAOYSA-N 392.238 4.607 0 40 GJAB c1ccc(-c2cc3c(NCCc4ccc5c(c4)OCCO5)ncnc3s2)cc1 1061284 MAXCFZPNARSVOB-UHFFFAOYSA-N 389.480 4.784 0 40 GJAB S=C(NCCc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 1327050 MQJRPIMFDANUCK-UHFFFAOYSA-N 381.570 4.593 0 40 GJAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 1346840 JMEZUUCROYSHFE-INIZCTEOSA-N 378.259 4.628 0 40 GJAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(F)(F)F 1935369 VPIBBTBVAWQTEU-UHFFFAOYSA-N 377.771 4.746 0 40 GJAB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)N1c1ccccc1 2087645 NSQNBXBJKYAZOR-GGAORHGYSA-N 393.446 4.651 0 40 GJAB biogenic Cc1ccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)O)cc1 2273548 GQKWOVRPDLDPNW-ZSTXGWIISA-N 383.447 4.542 0 40 GJAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(F)cc1F 2468259 PVQUODSDDWVNMU-UHFFFAOYSA-N 379.819 4.535 0 40 GJAB O=C1c2cccc(OCc3ccc(F)cc3)c2CCN1Cc1ccc(F)cc1 2716365 DDOJUZFSPWVBJM-UHFFFAOYSA-N 379.406 4.742 0 40 GJAB Cc1ccc2c(c1)s/c(=N/C(=O)/C=C/c1ccc(Cl)cc1Cl)n2C 3175295 VSGSKVTTWGSFTB-RVRJLEEPSA-N 377.296 4.996 0 40 GJAB Fc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5)CC4)c23)cc1 3448591 TURJYWUUMGVFRH-UHFFFAOYSA-N 390.487 4.824 0 40 GJAB CC[C@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1ccc(Cl)cc1 4771828 VGIATIUWQYGRPV-LJQANCHMSA-N 384.871 4.746 0 40 GJAB Cc1ccc(C)c(SCC(=O)N[C@H](C)[C@H](c2cccs2)N2CCCC2)c1 4979961 CHZRUARDNGCBKD-DYESRHJHSA-N 388.602 4.799 0 40 GJAB COc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4o2)CSC3)cc1 5077532 UHWPRDXXRLKGNH-UHFFFAOYSA-N 391.452 4.626 0 40 GJAB Cc1cc(C)c(Cn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)c(C)c1 5235878 DIQKSSVNMWKOKJ-UHFFFAOYSA-N 377.532 4.715 0 40 GJAB CCc1ccc([C@H](NC(=O)COc2ccccc2OC)c2cccs2)cc1 5406126 HLPNNHLAWJLPIK-QFIPXVFZSA-N 381.497 4.604 0 40 GJAB O=C(c1ccccc1)c1ccc(O[C@H](C(=O)N2CCCC2)c2ccccc2)cc1 5463998 ZDUJAPVUAIHTGH-DEOSSOPVSA-N 385.463 4.660 0 40 GJAB CC[C@@H](CO)Nc1nc(SC(C)C)nc2sc3c(c12)C[C@](C)(CC)OC3 5478287 JILNONVUMCULFI-BUXKBTBVSA-N 395.594 4.616 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccnc3Cl)c2n1 5732346 HXEJXKCPSWQOQL-UHFFFAOYSA-N 396.661 4.916 0 40 GJAB COc1ccccc1-n1c(SCCc2ccccc2)nc2ccccc2c1=O 5918991 HNKVWNYMNWOVBZ-UHFFFAOYSA-N 388.492 4.729 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c1 6788636 AVYAFKZRYQJEMP-UHFFFAOYSA-N 388.493 4.768 0 40 GJAB CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(Cl)cc1OC 6958495 KYPQQWIWLFISIL-MUKZLEBASA-N 396.940 4.836 0 40 GJAB Cc1nc(SCC(=O)c2ccc(N3CCCC3=O)cc2)n(C2CCCC2)c1C 7319514 SQHIUVCZALWVRK-UHFFFAOYSA-N 397.544 4.717 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)sc2c1CCC2 7986629 FODKVBLVKTXBDE-UHFFFAOYSA-N 383.391 4.685 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)cc1O 8188440 ZRHNYNPRFLJSAK-UHFFFAOYSA-N 380.831 4.859 0 40 GJAB CCOc1cc(CNCCOC)cc(Cl)c1OCc1ccc(Cl)cc1 8253956 NTCIXZTZHCJZNL-UHFFFAOYSA-N 384.303 4.707 0 40 GJAB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)n2c(C)ccc2C)cc1 8475579 AFJBGKVNUASIBX-UHFFFAOYSA-N 380.875 4.728 0 40 GJAB CC(C)c1ccc(OCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 9250936 MXEORPWFDUNTTA-UHFFFAOYSA-N 378.472 4.736 0 40 GJAB COc1ccc(-c2nnc(SCC(=O)c3c(C)n(C)c4ccccc34)o2)cc1 9423711 XQPUMQIKVKXJLU-UHFFFAOYSA-N 393.468 4.520 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2c(-c3ccccc3)nc3sccn23)cc1 12604445 BYNUALWRXCCGPJ-OAHLLOKOSA-N 377.469 4.777 0 40 GJAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1 12631654 NZDYSDKJTOCJKP-CYBMUJFWSA-N 394.500 4.516 0 40 GJAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cc2c(s1)CCCCC2 12872043 STWUBNYUHSIERZ-UHFFFAOYSA-N 394.496 4.792 0 40 GJAB C[C@H]1CN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@@H](C)O1 13002202 GVANIWCNBNNUOR-IYBDPMFKSA-N 375.553 4.556 0 40 GJAB CCOc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1 13751666 QSAGNKHDHONCLZ-UHFFFAOYSA-N 378.520 4.533 0 40 GJAB CCCCNc1nnc(SCc2nnc(-c3ccccc3Cl)o2)s1 14251868 XYCDJYNTNHSRLE-UHFFFAOYSA-N 381.914 4.746 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)cc1 14376136 YDOQOEJZWQSAPT-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4ccccc4n3)n2)cc1 15991860 PRPVDKLZVBIWMR-UHFFFAOYSA-N 388.452 4.569 0 40 GJAB CCOc1ccccc1NC(=S)N[C@@H](C)c1ccc(OCC)c(OCC)c1 16317315 MIXRYFSKKPVHNK-HNNXBMFYSA-N 388.533 4.930 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)/C=C\c2ccccc2)CSC3)c(C)c1 17026049 OMGJRWLMNIVSGD-LUAWRHEFSA-N 375.497 4.888 0 40 GJAB CCCCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1 17270735 FSSJKFBBAFVUTG-UHFFFAOYSA-N 375.490 4.973 0 40 GJAB Cc1nc2cc(NC(=O)c3cccc(OCc4cn5ccccc5n4)c3)ccc2o1 17642968 DIMYCQAWHCTJFI-UHFFFAOYSA-N 398.422 4.615 0 40 GJAB Cc1cc(-c2cnc(C3CCN(C(=O)C4CCCCC4)CC3)nc2C(C)C)on1 19121617 VXYRUZIYNBCKHK-UHFFFAOYSA-N 396.535 4.850 0 40 GJAB Cc1nc([C@H]2CCN(C3CCCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753421 QRCPWHMIRJBENU-INIZCTEOSA-N 398.938 4.813 0 40 GJAB CCCc1nnc2sc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)nn12 20609727 DWZYNMQEFNUZPY-UHFFFAOYSA-N 397.891 4.711 0 40 GJAB Cc1cc(OCC(=O)N2CCCC[C@H]2CCN2CCCCC2)cc(C)c1Cl 21170510 CERAMOKZQUFMTN-IBGZPJMESA-N 392.971 4.593 0 40 GJAB O=C(NCCc1ccccc1)c1cccnc1Nc1ccc(Br)cc1 22072241 CZEFBHFEPLFUHQ-UHFFFAOYSA-N 396.288 4.560 0 40 GJAB O=C(Cn1c(SC(F)F)nc2ccccc21)N1CCC[C@H]1c1ccccc1 22328716 DPJDANQRSMRVDW-INIZCTEOSA-N 387.455 4.715 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCC[C@@H](C)C2)cc1 22573720 SLVSZINKWUVDLV-GOSISDBHSA-N 394.540 4.921 0 40 GJAB O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1c(F)cccc1F 22766020 ODBWGPHVVLUNBE-FQEVSTJZSA-N 398.478 4.556 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2cc(Cl)cc(Cl)c2)C2CC2)c1 25804197 NJXGRLIOXXNZRY-UHFFFAOYSA-N 380.271 4.815 0 40 GJAB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1cccnc1 28343641 YJYNADNVRBIIPG-UHFFFAOYSA-N 393.899 4.786 0 40 GJAB C[C@@](CC(=O)NC[C@@H]1CCCO1)(c1cccc(C(F)(F)F)c1)c1cccs1 32093649 ZZCOGOSZHFZQDJ-QFBILLFUSA-N 397.462 4.758 0 40 GJAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCc2sccc2[C@@H]1c1cccs1 36007201 MNVZAXASRIFKJS-OPAMFIHVSA-N 396.581 4.977 0 40 GJAB Cc1cc(C(=O)Nc2cccc(CN3CCCC3=O)c2)c(C)n1C1CCCCC1 40072306 OXFSEVMPLOJYSK-UHFFFAOYSA-N 393.531 4.985 0 40 GJAB CN(c1ccccc1)c1ccccc1NC(=O)CCCNC(=O)c1ccsc1 40114526 WUYLFHWISJEEEZ-UHFFFAOYSA-N 393.512 4.665 0 40 GJAB O=C(/C=C/c1c(F)cccc1F)Nc1cccc(-c2cn3c(n2)CCCC3)c1 58356523 HOWXZQHMGWDETL-ZHACJKMWSA-N 379.410 4.817 0 40 GJAB CC(C)C[C@H](NC(=O)c1ccc(I)cc1)c1ccccc1 70136739 PYISYMDKMPSXQB-KRWDZBQOSA-N 393.268 4.808 0 40 GJAB CC(=O)N1CCCCC[C@@H]1Cc1c(C(=O)NC2CCCC2)sc2ccccc12 72370809 CIWFGQMSEAWKIA-GOSISDBHSA-N 398.572 4.907 0 40 GJAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2Cc2ccnc3ccccc23)c1 72380370 OZSFXZHPZNGIJS-HSZRJFAPSA-N 384.483 4.971 0 40 GJAB C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)[C@@H](O)c1c(F)cccc1Cl 89598479 ROALWYGWXDPPHW-JEOXALJRSA-N 391.801 4.730 0 40 GJAB Cc1ncsc1-c1nc(CNc2ccccc2CN(C)C2CCCCC2)no1 95414807 LCPPREWOKVHPKD-UHFFFAOYSA-N 397.548 4.878 0 40 GJAB COc1ccccc1[C@H]1SCC(O)=Nc2c1c(=O)[nH]n2C1CCCCCC1 95479942 YSGAYUSNSSWTNW-GOSISDBHSA-N 387.505 4.505 0 40 GJAB O=C1NC(c2ccccc2)=C(C(=S)Nc2ccccc2)[C@H](c2ccccc2)N1 100857968 MYVYDBHJDCTCJK-FQEVSTJZSA-N 385.492 4.891 0 40 GJAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)C1CCCCC1 101192143 BHMDPCUVMOTFPZ-UHFFFAOYSA-N 391.423 4.708 0 40 GJAB biogenic CSc1nc2n(n1)[C@H](c1ccc(Cl)c(Cl)c1)C1=C(O)CCCC1=N2 102576031 JTGOETPYWLZFLH-CQSZACIVSA-N 381.288 4.978 0 40 GJAB O=C(Nc1nc2ccccc2s1)[C@@H]1C[C@@H]2C[C@@H]1[C@](F)(C(F)(F)F)C2(F)F 104813103 DFAPUXWLYQUGGJ-RBTHTUONSA-N 394.340 4.797 0 40 GJAB CSc1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219462150 QRCBCTZCTIMAKE-UHFFFAOYSA-N 376.481 4.941 0 40 GJAB CC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2 223094671 ANLDGTUVYDWLKC-NRFANRHFSA-N 381.516 4.783 0 40 GJAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223416651 ZNFJXRSJEJKVIB-FQEVSTJZSA-N 386.923 4.592 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(SC(C)C)s1 223606057 POZJJSGLNAZCCU-OAHLLOKOSA-N 387.530 4.988 0 40 GJAB O=C(NCC1(c2ccccc2)CCOCC1)/C(=C/c1ccco1)c1ccccc1 223703630 YOQTTXRTAOGUCJ-PTGBLXJZSA-N 387.479 4.685 0 40 GJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225167051 RDKQGKXQZKZHGM-HNNXBMFYSA-N 384.501 4.667 0 40 GJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225167083 RDKQGKXQZKZHGM-OAHLLOKOSA-N 384.501 4.667 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2F)sc2c1CCCC2 225237569 ICVDWVAICYRKHB-UHFFFAOYSA-N 381.856 4.848 0 40 GJAB O=C(NCc1ccco1)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 225347796 TVDBKNQIOWGYNE-UHFFFAOYSA-N 388.467 4.660 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(Br)cc2N)o1 226304835 IJJPMBLADSBRHV-TXEJJXNPSA-N 377.282 4.694 0 40 GJAB CC[C@H](C)NC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 257197562 CVXLMOVLIANYNZ-SFHVURJKSA-N 381.516 4.616 0 40 GJAB CC(C)Oc1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)cc1 260742731 YMSHQGNVQAAPSO-QGZVFWFLSA-N 383.561 4.602 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccccc3F)N21 260781541 SYFFIIKJXQZMMX-LPTQZCDUSA-N 392.503 4.991 0 40 GJAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 408628040 PUKJOJRFUKLXSM-CQSZACIVSA-N 387.936 4.846 0 40 GJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)S2)cc1 408772391 ORTLMDTYZSFPMY-WLJFKGHSSA-N 398.528 4.644 0 40 GJAB O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1 409204479 HXZYKBCRHQGHTJ-LDADJPATSA-N 378.815 4.693 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409360552 QWOKBOMDUCQVGN-CLCXKQKWSA-N 382.426 4.602 0 40 GJAB COc1ccc([C@H]2C[C@@H]2[C@@H](C)N[C@@H]2c3ccccc3CC23CCOCC3)cc1 582516995 QPPAQCVDBCCURY-SFUZCSOBSA-N 377.528 4.871 0 40 GJAB O=C(O)[C@H](c1c(F)cccc1Cl)N1CCC(c2cccc(F)c2F)CC1 652449928 VSQJGXBCCWISFI-SFHVURJKSA-N 383.797 4.763 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)CCc2ccccc2)CN1c1cccc(F)c1 1615121891 PCMOHTNTIIJSGF-XMMPIXPASA-N 380.507 4.808 0 40 GJAB C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc(OC(F)(F)F)c1 1685680129 SVISPHQJIDEEBS-NSHDSACASA-N 388.336 4.766 0 40 GJAB Cc1sc2ncn([C@H](C)C(=O)OC(C)C)c(=O)c2c1-c1ccc(Cl)cc1 812684 OFRWSEFDIMQPGF-LLVKDONJSA-N 390.892 4.599 0 40 GJAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(OC)cc3)c12 2090948 FPJNOKPHEQDQAL-UHFFFAOYSA-N 380.440 4.714 0 40 GJAB biogenic CC[C@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccccc1 2430561 BIVUPNIUXPONHS-OALUTQOASA-N 385.467 4.522 0 40 GJAB COc1cc(NC(=O)COc2ccc(Cl)cc2Cl)c(OC)cc1Cl 3196697 AFNNIQCPMCLIBY-UHFFFAOYSA-N 390.650 4.682 0 40 GJAB O=C(Cc1csc(-c2ccccc2)n1)NCC1(N2CCCCC2)CCCCC1 3459121 VHXLSSFZACRXPB-UHFFFAOYSA-N 397.588 4.658 0 40 GJAB Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SC(C)C 4062262 YTRBMXMWRSYVKU-UHFFFAOYSA-N 396.541 4.501 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 4679439 DJPGEZQSVXGHSS-OVCLIPMQSA-N 386.451 4.908 0 40 GJAB CCCC[C@@H](CC)CNC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 4681777 BFCFUFWJIBUWMU-HXUWFJFHSA-N 396.531 4.701 0 40 GJAB Cc1ccc(-n2ncc3c(=O)n(-c4ccc(C)c(C)c4)c(-c4ccco4)nc32)cc1 4971974 SVZNJVFJUBWOOB-UHFFFAOYSA-N 396.450 4.757 0 40 GJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)n2C(C)C)cc1 6633955 UCNSVEGTMRENMQ-HNNXBMFYSA-N 381.501 4.898 0 40 GJAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1ccccc1 8132388 GNLUUIXMFNANBA-VIFPVBQESA-N 385.798 4.765 0 40 GJAB COc1cccc(Nc2nnc(SCc3cn4cccc(C)c4n3)s2)c1 8161557 PUTRVONRNGWWSG-UHFFFAOYSA-N 383.502 4.539 0 40 GJAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C)c(C)c3)cc21 8959694 ZBCHEPFZQSZHAC-UHFFFAOYSA-N 380.488 4.717 0 40 GJAB COc1ccc(-c2cnc(C(=O)Nc3cc(C(F)(F)F)ccc3OC)o2)cc1 9321676 YHBNQNXDQCHQIX-UHFFFAOYSA-N 392.333 4.630 0 40 GJAB Cc1ccc(NC(=O)CCn2c(-c3ccc(F)cc3)n[nH]c2=S)cc1Cl 11427254 SKPFBSVIXGKSLH-UHFFFAOYSA-N 390.871 4.737 0 40 GJAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(C(C)C)cccc3s2)on1 12422356 CQQCZUQCSHPBLT-UHFFFAOYSA-N 392.484 4.958 0 40 GJAB O=C(NCCc1ccccn1)c1cccc(CSc2ccc(Cl)cc2)c1 12630627 ZGXVUSSLSGSLGX-UHFFFAOYSA-N 382.916 5.000 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cc3ccccc3o2)c(OC)c1 12793233 KWDLWDNCZRHJFW-ZAHGZRRWSA-N 377.440 4.827 0 40 GJAB Cc1cnc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)s1 14249271 KFMRXZVILMDFLR-UHFFFAOYSA-N 384.848 4.803 0 40 GJAB CCc1ccc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)sc2=S)cc1 16742369 QJTATBPKURQGDX-CYBMUJFWSA-N 383.542 4.904 0 40 GJAB COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)c1 17120935 FBMIMVAHNUKSGZ-UHFFFAOYSA-N 395.850 4.538 0 40 GJAB CCCc1c(-c2ccccc2)nc(Nc2nc(C)c3cc(CC)ccc3n2)[nH]c1=O 20634033 IQIOXUCVAXPVSW-UHFFFAOYSA-N 399.498 4.947 0 40 GJAB Cc1ccc(CNc2nc(Nc3ccc(Cl)cc3C)c3cnn(C)c3n2)cc1 21873467 YKLAQCNAEZQKHG-UHFFFAOYSA-N 392.894 4.989 0 40 GJAB COc1cc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c(OC)cc1Cl 22532245 UCWZDIGTHWENSA-ZDUSSCGKSA-N 377.868 4.887 0 40 GJAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NC[C@H]1CCN(c2ccccc2)C1 27840372 CUDGVYXYZBQGBO-SXSDINLZSA-N 391.902 4.544 0 40 GJAB Cc1cccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c1 32604396 CKNRECDNLKKRCC-LJQANCHMSA-N 383.492 4.864 0 40 GJAB CC(=O)N(c1nc(CN2CCCc3ccccc32)cs1)c1ccccc1F 32819270 AQKNLSRPENRSLA-UHFFFAOYSA-N 381.476 4.920 0 40 GJAB Cc1ccc(CNC(=O)c2sc(=S)n3c2nc(O)c2cc(C)ccc23)cc1 33251577 QZNPLZGIVTWRAW-UHFFFAOYSA-N 395.509 4.531 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3nc(Cl)ccc3Cl)cc2)cs1 40005063 MGYROKXRAZLNGC-UHFFFAOYSA-N 378.284 4.750 0 40 GJAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC[C@H]1c1ccccc1Cl 40152278 HQSDFQDRFXGOPM-FQEVSTJZSA-N 397.906 4.910 0 40 GJAB Cc1ccccc1COc1ccccc1[C@@H]1SCC(O)=Nc2c1cnn2C 49545785 JWXDLCLKISMRIJ-FQEVSTJZSA-N 379.485 4.732 0 40 GJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(OCc2ccccn2)cc1 56443992 ZBWJZJULGLVBTN-KRWDZBQOSA-N 393.462 4.702 0 40 GJAB CCCCN1C(=O)C(C)=C(C)[C@@H]1NCC(C)(c1ccccc1)c1ccccc1 57388509 OGTJOZXCMBTWSS-HSZRJFAPSA-N 376.544 4.887 0 40 GJAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1c[nH]c(=S)n1-c1ccccc1 58402942 KWLNUBYHNFMSAG-INIZCTEOSA-N 381.501 4.880 0 40 GJAB CCc1ncc(CN2CCC(c3cccc(Cc4ccccc4C)n3)CC2)cn1 72350253 MFTZGHKDELOCHV-UHFFFAOYSA-N 386.543 4.713 0 40 GJAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 72358473 BDAZUHQMHLPCSZ-LJQANCHMSA-N 375.447 4.611 0 40 GJAB c1ccc(Nc2nccc([C@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)nc1 72377985 ROYZPIAPKIFZKR-FQEVSTJZSA-N 396.498 4.543 0 40 GJAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1nc(Cl)c(Cl)c(Cl)c1Cl 84525459 WYUVUHBZPVEMIK-RKDXNWHRSA-N 376.070 4.981 0 40 GJAB Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)c1 222974608 AFROBNVTSPNDEP-FQEVSTJZSA-N 390.571 4.963 0 40 GJAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 222992926 RAEZAAZRMUJZOP-WZONZLPQSA-N 394.534 4.794 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 223852557 LEECMHDQDTYMCQ-UXHICEINSA-N 392.528 4.521 0 40 GJAB CCOC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)c1 224990053 DHWBOPRPRZLOLN-UHFFFAOYSA-N 375.852 4.621 0 40 GJAB S=C(Nc1ccc(Br)cn1)NC(c1ccccc1)c1ccccc1 225194874 XKLQUGPFPRGAHZ-UHFFFAOYSA-N 398.329 4.920 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(F)cc1F)CC(C)(C)O2 225682633 WEBWBSLJPMMMQX-MRXNPFEDSA-N 378.444 4.562 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)c1 225706178 XTFJDLALTPIIPA-GOSISDBHSA-N 389.495 4.980 0 40 GJAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1cccc(Br)c1 226326523 JEYUGRWLFSWQSB-UHFFFAOYSA-N 399.668 4.867 0 40 GJAB O=C(O)c1cnc(N2CCCC[C@H]2CCc2ccccc2)nc1-c1ccccc1 257298280 RLAMSBWQGMHYPK-FQEVSTJZSA-N 387.483 4.834 0 40 GJAB c1cnc(Nc2cccc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)nc1 257308635 TXMMVAPZUJBYHB-UHFFFAOYSA-N 396.498 4.543 0 40 GJAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(OC)c4)OCC[C@@]31C2 257335185 YIZDACVHTLJSTE-HJWLRSHASA-N 389.511 4.633 0 40 GJAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccccn2)cc1 409105056 IGBBGRSZEYABBP-UHFFFAOYSA-N 388.496 4.803 0 40 GJAB COCCN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O 409128200 DWGJOESSWPUDSE-MHWRWJLKSA-N 377.849 4.591 0 40 GJAB C[C@@H]1C[C@@H](CCNC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)CCO1 543381935 VKISFIYNGZJYGP-SELNLUPBSA-N 378.516 4.701 0 40 GJAB O=C(NCC[C@H](CCO)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 575608413 TWGQEEXIDAILBQ-MRXNPFEDSA-N 391.964 4.886 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1c(F)cccc1Cl 575609576 DMEWZQYMRXOLFG-CYBMUJFWSA-N 381.881 4.733 0 40 GJAB Cc1ccc2ncc(-c3cccc([C@H]4CCCN(C(=O)c5ccccc5)C4)n3)n2c1 585262801 HKTIVKHNBQTNKY-FQEVSTJZSA-N 396.494 4.725 0 40 GJAB COc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264404 AAUQWEXAHWLCGR-FCIYXJNOSA-N 396.483 4.646 0 40 GJAB O=C(Nc1cccc(OCc2cscn2)c1)NC1CCC2(CC1)CC2(F)F 665921629 DCTHOHAHYDIIIK-UHFFFAOYSA-N 393.459 4.812 0 40 GJAB Cc1ccccc1CN(Cc1nnc(C(C)C)s1)c1ccc2nc(O)[nH]c2c1 828344138 ADEPZAGGJZLXPT-UHFFFAOYSA-N 393.516 4.759 0 40 GJAB Cc1ccc([C@H]2CCN(C(=O)c3ccc4c(c3)CCCC(=O)N4)C2(C)C)cc1 1610942219 OGYLRACGZVUSII-HXUWFJFHSA-N 376.500 4.678 0 40 GJAB COc1cccc2cc(C(=O)NC[C@H](O)c3ccc(-c4cccs4)cc3)oc12 1775978531 SXMMNDNYOZOWTO-KRWDZBQOSA-N 393.464 4.633 0 40 GJAB Cc1cccc(CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c1 2376959 KJBNRQLXRRCLQF-UHFFFAOYSA-N 391.537 4.908 0 40 GJAB C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2)s1)c1ccccc1 3178717 FBLUSQJTSIPKSV-HOTGVXAUSA-N 378.497 4.730 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/N=C3CCCCCN3C2=O)o1 3192901 NNOOFALSJRPXAQ-XMHGGMMESA-N 386.455 4.596 0 40 GJAB C[C@@H](NC(=S)Nc1ccccc1Cl)[C@H](c1cccs1)N1CCCC1 3206337 NTBJIIGZSCRTDA-CXAGYDPISA-N 379.982 4.914 0 40 GJAB Clc1cc2c(c3ncccc13)OCN(C1CCN(Cc3ccccc3)CC1)C2 3236103 KPNWKIIKTVJHDR-UHFFFAOYSA-N 393.918 4.705 0 40 GJAB Cc1ccc2c(CSc3nnc4sc5ccccc5n34)cc(=O)oc2c1C 3495674 NPMVDSZDUUTMFQ-UHFFFAOYSA-N 393.493 4.960 0 40 GJAB CCCOc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1 4353973 VILSSXNTUJDBAS-UHFFFAOYSA-N 394.427 4.582 0 40 GJAB CC1(C)CC(=O)c2sc(NC(=O)CCSc3ccc(F)cc3)nc2C1 4496810 SAUPJMFBGJSFBY-UHFFFAOYSA-N 378.494 4.558 0 40 GJAB CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl 4597483 YJFHVFKFUUPFDZ-HXUWFJFHSA-N 394.906 4.847 0 40 GJAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@]12C 4662418 RMEZJKHOZLUOHB-VTQPGVNQSA-N 388.548 4.606 0 40 GJAB biogenic,in-vitro CC1=C(C)C[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)[C@@H](C(=O)O)C1 5126511 XZVJWQOWGPKPOJ-CVEARBPZSA-N 388.464 4.643 0 40 GJAB aggregator O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccc(F)c(F)c1 5136264 ABVOXTXJHBYAOH-UHFFFAOYSA-N 398.434 4.872 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 5184710 IKRBXTJGTQFMDD-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCOc1ccc(-c2csc3ncn(Cc4ccccc4C)c(=O)c23)cc1 5464644 QXOSXYMHTCRFMH-UHFFFAOYSA-N 376.481 4.880 0 40 GJAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1 6052701 QMLGUHIBBNSQSF-UHFFFAOYSA-N 391.267 4.520 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(CSc2ccc3c(c2)OCCO3)cs1 6589257 ZFHRAGQEQNOEIY-UHFFFAOYSA-N 398.509 4.891 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O 6605064 ZRZKKCFCRQSKBY-GXDHUFHOSA-N 385.470 4.753 0 40 GJAB CC(C)Sc1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccn2)n1 6748108 RWNGHDTXQBEREQ-UHFFFAOYSA-N 398.919 4.873 0 40 GJAB CCCCC1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 6917134 ZROAUYXIIJOMHW-ZLPCBKJTSA-N 388.508 4.512 0 40 GJAB CCOC(=O)[C@H](Sc1nnc(-c2cccc(C)c2)n1CC)c1ccccc1 6946713 KNYHJTHDFZQLOE-GOSISDBHSA-N 381.501 4.670 0 40 GJAB CC(=O)Nc1ccc(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 7293640 NVIHXFSRBKMBKF-UHFFFAOYSA-N 384.501 4.605 0 40 GJAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(OCc2cn3ccccc3n2)cc1 7319004 ZUDHIAZDERSZDF-UHFFFAOYSA-N 383.451 4.654 0 40 GJAB Cc1ccccc1SCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7407271 ZUUSDFUZHGJUFT-UHFFFAOYSA-N 392.528 4.711 0 40 GJAB Cc1cccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1C 7929472 LESDJKSFXFOZRA-ZDUSSCGKSA-N 378.255 4.569 0 40 GJAB C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 7989064 DEQIXPAAWHZOKL-IFXJQAMLSA-N 393.405 4.754 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(CN2CCCC2=O)c1 8071458 IWGCWAGPVYMFSU-UHFFFAOYSA-N 386.451 4.854 0 40 GJAB CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3)nn12 9252405 QVWMESBPXIVJSM-UHFFFAOYSA-N 397.891 4.629 0 40 GJAB COc1ccc2cc(CNC(=O)NCc3cccc(C(F)(F)F)c3)ccc2c1 9711226 HMCFYJQVZLLVGF-UHFFFAOYSA-N 388.389 4.867 0 40 GJAB COc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 10219203 ORJFQUJKYCJSMA-UHFFFAOYSA-N 389.480 4.969 0 40 GJAB Fc1ccccc1OCCSc1nnc(-c2ccco2)n1Cc1ccccc1 11019853 HZAPWYUKSVMYGP-UHFFFAOYSA-N 395.459 4.897 0 40 GJAB CCc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1 11835107 GUUNZMZXRRBEIU-UHFFFAOYSA-N 397.475 4.668 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c(OC)c1 12562841 DLGGGAYRDCCUBI-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@H]1c1nc2ccccc2s1 12856402 MMCKUTUNSYYBHX-KSEUIEODSA-N 378.497 4.990 0 40 GJAB Cc1ccc(CSc2nc(CC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 13010390 JUUMVAMZHWDXFS-UHFFFAOYSA-N 398.509 4.654 0 40 GJAB COc1ccc(C(=O)C2CCN(Cc3ccccc3Br)CC2)cc1 14325984 QKHISVNIVWIBQF-UHFFFAOYSA-N 388.305 4.553 0 40 GJAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1cccc(C(F)(F)F)c1 16705500 LTDKIGOMEHDLGI-UHFFFAOYSA-N 375.350 4.717 0 40 GJAB O=C(Oc1cccc2ccccc12)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 18241403 KZSMPEBIMWPTFJ-SFTDATJTSA-N 397.430 4.515 0 40 GJAB CC(C)n1c(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)nc2ccccc21 19454745 STFGYUGOXOIRGT-HSZRJFAPSA-N 381.495 4.630 0 40 GJAB Cc1ccc(CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 20453513 JYRGVUCVFFGLII-UHFFFAOYSA-N 381.497 4.698 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 20490848 AALUBVBMICFVKF-IBGZPJMESA-N 382.504 4.628 0 40 GJAB O=C(Cc1coc2cc3c(cc12)CCC3)N[C@@H](c1ccccc1)c1ccncc1 21842949 VRWWJODYWRTLIE-VWLOTQADSA-N 382.463 4.765 0 40 GJAB CN(C)CCOc1ccc(/C(=C(\CCO)c2ccccc2)c2ccccc2)cc1 22061234 XIWBHBPMBIXYBK-OCEACIFDSA-N 387.523 4.969 0 40 GJAB in-vitro CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 22521982 CQYMZVCUQGHRGQ-LBPRGKRZSA-N 388.316 4.573 0 40 GJAB C[C@@H](NCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)c1ccco1 24985049 QRHDYFKUAHGKTE-VQIMIIECSA-N 378.497 4.810 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2c3c(cccc13)CC2 27248694 WCGQGXBPNKVXTJ-QHCPKHFHSA-N 382.463 4.841 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)cc1OC 28966501 LWAYBPBASLMUNF-LJQANCHMSA-N 382.435 4.835 0 40 GJAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(F)c1 32074096 OTGIQPNROCOEFI-INIZCTEOSA-N 398.825 4.823 0 40 GJAB O=C(Nc1ccc(F)cc1F)Nc1nn(Cc2ccccc2F)cc1Cl 32609656 PDCBJILXQCJZEX-UHFFFAOYSA-N 380.757 4.646 0 40 GJAB Cn1ncc2c(C(=O)Nc3ccc(F)c(Cl)c3)cc(-c3ccccc3)nc21 36615894 IKHWFUSYXWEOHC-UHFFFAOYSA-N 380.810 4.680 0 40 GJAB Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 40022005 GLNGOCJDAIADBB-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB C[C@@H](c1ccc(Cl)cc1)N(C(=O)CCCn1c(=O)oc2ccccc21)C1CC1 40070277 YGYSIOIXGJBNSA-HNNXBMFYSA-N 398.890 4.780 0 40 GJAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2cccnc2c1 40285543 JTSPTECOXVMCRW-FQEVSTJZSA-N 394.272 4.695 0 40 GJAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NC4CCCCC4)ccc32)c1 46078641 PPHYARCXHXPMET-UHFFFAOYSA-N 376.500 4.651 0 40 GJAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc([S@](C)=O)cc1)C1CC1 56223651 KTAWEMTWCVHYTG-JGTBNHKDSA-N 395.446 4.809 0 40 GJAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(F)(F)F)nc1 58159882 GCOMEXNZAQAPJE-UHFFFAOYSA-N 377.297 4.679 0 40 GJAB CCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1 58440721 KRYLFXNIFZEOOT-UHFFFAOYSA-N 381.520 4.657 0 40 GJAB CC(C)CCC[C@@H](C)NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 61721005 KZRHTEGJCHXUCF-XEVCZEQESA-N 397.563 4.534 0 40 GJAB Cc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(C(F)(F)F)cc3)no1)cn2C 64960962 ICBCRCIWEATOPH-UHFFFAOYSA-N 385.345 4.583 0 40 GJAB O=C(c1cc(-c2ccccc2)nc2cc(F)ccc12)N1CCc2ccc(O)cc2C1 65056416 VJGJCGUXNMJFFE-UHFFFAOYSA-N 398.437 4.945 0 40 GJAB c1csc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)c1 67321539 KHSLOHXNPCVGOQ-VGSWGCGISA-N 390.464 4.762 0 40 GJAB O=C(NC[C@H](O)c1cccc2ccccc12)NC(c1ccccc1)c1ccccc1 70636317 AKSBBZPUSYEJPC-DEOSSOPVSA-N 396.490 4.962 0 40 GJAB CCc1ccccc1NC(=O)CN(C)c1nc2c(C(F)(F)F)cccc2s1 77196812 XSEZPORSNKRFQE-UHFFFAOYSA-N 393.434 4.952 0 40 GJAB CCc1ccc([C@@H]2C[C@@H](C)CCN2c2cc(C)nc3nc(C(F)(F)F)nn23)o1 83825427 YYSFDVBAEGICJS-FZMZJTMJSA-N 393.413 4.585 0 40 GJAB Cc1ncc(CN2CCCC2)c2cc(C(=O)c3ccc(Br)cc3)oc12 95478269 QCOIOUXWCZPTCT-UHFFFAOYSA-N 399.288 4.726 0 40 GJAB CCCN(CC)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C 96146433 PFGLIPZFBNQCPC-UHFFFAOYSA-N 382.508 4.579 0 40 GJAB Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c2c(-c3ccc(F)cc3)noc2n1 101986979 ZPYCPBKYWRMZBQ-SZXPJGKVSA-N 393.462 4.892 0 40 GJAB CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 115005207 BRYJMEWLYUJABW-UHFFFAOYSA-N 394.496 4.863 0 40 GJAB O=C(CSCc1ccccc1F)Nc1ccccc1C(=O)c1ccccc1 222708267 QZULSGOKAGQVCS-UHFFFAOYSA-N 379.456 4.929 0 40 GJAB Cc1ccccc1CSCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223705568 NKMYABGOSOPXJT-GOSISDBHSA-N 383.557 4.691 0 40 GJAB CC(C)(C)c1ccc(-c2noc(CNC(=O)Cc3cccc(Cl)c3)n2)cc1 224185773 FRUOWADRJXULJC-UHFFFAOYSA-N 383.879 4.546 0 40 GJAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 224332256 KIBCZJXRKBOAPB-VXKWHMMOSA-N 390.556 4.776 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(C)cc2C)c1 225477075 DGZFYILNTKDGAN-CYBMUJFWSA-N 376.909 4.791 0 40 GJAB COc1ccc(NC(=S)NCCCSCc2ccccc2C)c(OC)c1 225600259 HRADUOCVMKMOHA-UHFFFAOYSA-N 390.574 4.622 0 40 GJAB Cc1cc(-c2c(C)noc2C)nc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2)n1 257260440 LCVQAEIIMBVSSN-IBGZPJMESA-N 394.450 4.563 0 40 GJAB COc1c(C(=O)Nc2ccc(N(C)C)cc2)cc2ccccc2c1Br 408619996 GCHRBFNCGSVISK-UHFFFAOYSA-N 399.288 4.929 0 40 GJAB COc1cc(CNc2cccc(C)c2C)cc(I)c1OC 409120455 VUXDYHNXHSXLAZ-UHFFFAOYSA-N 397.256 4.537 0 40 GJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21)c1ccccc1 409373800 YVDUQCOOQMZPBF-UKAVVXHISA-N 375.855 4.735 0 40 GJAB Cc1nc(-c2ccccc2)c(C(=O)NCCc2c[nH]c3ccc(F)cc23)s1 515907626 LWBZVFXQXUMFBO-UHFFFAOYSA-N 379.460 4.711 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)Nc1c(F)cccc1F 585147867 DVPDTRVDDUHIFK-LBPRGKRZSA-N 380.441 4.610 0 40 GJAB C[C@H](Cc1ccncc1)NC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1 622414637 GEDWCXLLCOOPOV-QGZVFWFLSA-N 389.499 4.927 0 40 GJAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H](CCO)c1ccc(Cl)cc1 1628889375 MEEHIGUTQNSHLX-QZTJIDSGSA-N 390.911 4.678 0 40 GJAB O=C(CSc1nnc(COc2cccc3ccccc23)o1)OC1CCCCC1 877799 PDROPYAKGXUMQL-UHFFFAOYSA-N 398.484 4.770 0 40 GJAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccccc3)cc2c1 1359563 NXKRGWYQHRGCTG-UHFFFAOYSA-N 386.451 4.581 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 1776916 LTMBLOVOGYXTHT-UHFFFAOYSA-N 393.439 4.506 0 40 GJAB Cc1ccc(OCCNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1906230 OLKQYEMCKFUWMU-UHFFFAOYSA-N 382.287 4.656 0 40 GJAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)Cc4ccccc4)nc3C2)cc1 2424506 MQMRWVKAIYNIIQ-HXUWFJFHSA-N 399.494 4.694 0 40 GJAB COc1cc(CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC 2622880 HIWVNRSUYANAMA-UHFFFAOYSA-N 384.259 4.591 0 40 GJAB S=C(Nc1ccccc1)Nc1cccc(NC(=S)Nc2ccccc2)n1 3082549 PINBYAQEDIXCKJ-UHFFFAOYSA-N 379.514 4.699 0 40 GJAB COc1ccc2c(c1)CCc1cc(C(=O)OCC(=O)c3ccccc3)sc1-2 3363155 QUXWCAPULHMVAG-UHFFFAOYSA-N 378.449 4.562 0 40 GJAB CC[C@H](C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 3371066 JUXWVRYZKQXNJZ-QFIPXVFZSA-N 387.479 4.629 0 40 GJAB CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1NC(=O)Nc1ccc(C)cc1 3383375 HSRNEESCFHSHNS-UHFFFAOYSA-N 398.850 4.655 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3SC)n2)c1 3559290 CAPPDPBIGVWYOT-UHFFFAOYSA-N 386.498 4.802 0 40 GJAB CN(C)CCCN(C(=O)c1ccc(Cl)s1)c1nc2ccc(F)cc2s1 4359597 AAIXFEJZVWJZHQ-UHFFFAOYSA-N 397.928 4.749 0 40 GJAB O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4860428 YMSRCUDXNVLVQS-OAQYLSRUSA-N 396.899 4.880 0 40 GJAB COc1ccc2sc(N(Cc3ccccn3)C(=O)c3cccs3)nc2c1 5264981 YGCJKGDVFVTIOZ-UHFFFAOYSA-N 381.482 4.608 0 40 GJAB O=C(c1cccc(F)c1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 5265202 QZZCNHBGSXOIRG-UHFFFAOYSA-N 381.407 4.817 0 40 GJAB Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)c2cccs2)c(C)c1 5451508 KYZSCKKPUBHCAG-QHCPKHFHSA-N 390.508 4.944 0 40 GJAB CCCCc1ccc(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 5507304 NQKGBMXLJAHZTM-UHFFFAOYSA-N 376.456 4.629 0 40 GJAB CCOc1cc(C(=O)Nc2ccccc2CC)cc(Br)c1OC 6258709 LDVAQCLIIOOXBI-UHFFFAOYSA-N 378.266 4.671 0 40 GJAB Cn1c(=O)c2c(-c3ccccn3)c(NCc3ccccc3)oc2c2ccccc21 6671807 ULOWAMYKJOXYCY-UHFFFAOYSA-N 381.435 4.959 0 40 GJAB O=C(Oc1ccc(F)cc1)c1nc(SCc2ccccc2F)ncc1Cl 6748052 ZJBVQDGYNGRFPO-UHFFFAOYSA-N 392.814 4.920 0 40 GJAB COc1ccc(CCNCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1OC 6760713 AASWGNNHGGZGDZ-RUZDIDTESA-N 397.559 4.753 0 40 GJAB Cc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2cccc(Cl)c2)o1 8394602 SLHIIMOXQDKNOY-CYBMUJFWSA-N 387.892 4.668 0 40 GJAB COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(OC)c(Cl)c2)cc1 9205082 JXDXAURGCFDWAQ-UHFFFAOYSA-N 385.847 4.793 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2ccncc2)cc1C 9919375 HUYXSLFVYYRCJZ-UHFFFAOYSA-N 396.494 4.823 0 40 GJAB Cc1cc(-c2cnc(NCc3ccc(F)cc3)nc2-c2cccnc2C)on1 12088769 AOELQTYETLYTSJ-UHFFFAOYSA-N 375.407 4.562 0 40 GJAB COc1ccccc1CNc1ncc(-c2onc(C)c2C)c(-c2ccco2)n1 12186832 XITLUTSYVXNKFY-UHFFFAOYSA-N 376.416 4.629 0 40 GJAB CCCCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OCC)cc2)cs1 12442143 ODSVBNOSUBIMIF-UHFFFAOYSA-N 384.505 4.832 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 12742695 LKNZQDGZIGTENY-NRFANRHFSA-N 389.407 4.728 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12790560 YLAJTZNZXKLALA-UHFFFAOYSA-N 384.867 4.804 0 40 GJAB Clc1ccc(OCc2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)cc1 13689468 BRGMRXBTKDMQOD-UHFFFAOYSA-N 381.848 4.567 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)c2cccnc12 15841100 QPGOYZQTVOVNNP-MRXNPFEDSA-N 394.471 4.828 0 40 GJAB CCOc1ccc(CN[C@@H](Cc2ccsc2)c2ccc(C)cn2)cc1OC 19533947 GOZYOZRTRJVEKC-FQEVSTJZSA-N 382.529 4.932 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1 20460230 KYBCWDDFXRBYCG-UHFFFAOYSA-N 397.478 4.690 0 40 GJAB O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20731959 DSIRTLPUSOKJOP-JOCHJYFZSA-N 394.559 4.930 0 40 GJAB CC1CCN(Cc2csc(NC(=O)CCc3ccccc3Cl)n2)CC1 22292330 MVUSPQOQIWLYDY-UHFFFAOYSA-N 377.941 4.600 0 40 GJAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Br)ccc1Cl 25047752 PWYZMUFISROIEY-JQWIXIFHSA-N 384.623 4.953 0 40 GJAB COC(=O)c1c(NC(=O)c2ccncc2)sc(C)c1-c1cccc(Cl)c1 27698743 VRRHDFWJQKZLQS-UHFFFAOYSA-N 386.860 4.811 0 40 GJAB CC1=C[C@@H](CNC(=O)Nc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 30881521 RSZCYKLDJBNPLN-ONTIZHBOSA-N 397.563 4.675 0 40 GJAB biogenic,in-vitro O=C(COC(c1ccccc1)c1ccccc1)Nc1nc2c(s1)CCCC2 31304466 QMZPJEISELBSQX-UHFFFAOYSA-N 378.497 4.767 0 40 GJAB O=C(CCSc1ccccc1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 44204274 JUETUODLIBHKJR-OAHLLOKOSA-N 399.541 4.687 0 40 GJAB Cc1cc(N2CCOCC2)ccc1N[C@@H](C)c1nc2ccccc2n1C(F)F 46835116 WWKVXWIQTKVPOM-HNNXBMFYSA-N 386.446 4.750 0 40 GJAB Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C)cc(-c2ccccn2)n1 49007158 OZQJVQQQTJRWJT-UHFFFAOYSA-N 384.892 4.540 0 40 GJAB Cc1cc(C(=O)Nc2cccc(N3CCCCC3)c2)c(C)n1CC(F)(F)F 56224830 VQYCXZYQFJTFCG-UHFFFAOYSA-N 379.426 4.910 0 40 GJAB C[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)cc1 57322887 IXLCCPCCHPSHAW-HNNXBMFYSA-N 384.451 4.547 0 40 GJAB Cc1c(C(=O)NCCc2ccc(C(F)(F)F)cc2)oc2c1C(=O)CC(C)(C)C2 58378094 RVMHXNLRFXNHCH-UHFFFAOYSA-N 393.405 4.734 0 40 GJAB O=C(NC1CCCCCC1)c1oc2ccccc2c1CSc1ncccn1 58414326 DCHPLVMXYNEVKX-UHFFFAOYSA-N 381.501 4.968 0 40 GJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1C 59351235 DCVVUMYZGZYLQL-GJZGRUSLSA-N 376.294 4.711 0 40 GJAB Cc1csc([C@H]2CCCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2C)n1 69417983 ZFOKKBLFERDAES-GOEBONIOSA-N 378.925 4.934 0 40 GJAB O=C(NCc1ccccc1C(F)(F)F)c1cn[nH]c1-c1ccc(Cl)cc1 72328903 UIBPVLSBYUOQAN-UHFFFAOYSA-N 379.769 4.679 0 40 GJAB FC(F)(F)c1cc(NCc2ncoc2-c2ccccc2)nc(-c2ccccn2)n1 79061641 AHXHOVVJSVWHCW-UHFFFAOYSA-N 397.360 4.825 0 40 GJAB CSCC[C@H](NC(=O)c1nc(C)sc1C(C)C)c1nc2ccccc2[nH]1 96223417 ZEHISNAOMQLGET-HNNXBMFYSA-N 388.562 4.675 0 40 GJAB C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CC[C@H]2CCCC[C@@H]2C1 104744871 DUPBYVGQDLXOTE-QKPAOTATSA-N 385.577 4.683 0 40 GJAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccc(F)cc1 211672548 WROLWIIRDXKVMT-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB Cc1ccc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)cc1 215738005 ROXDJEZKBLIOIU-XMHGGMMESA-N 391.858 4.704 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCS[C@H](c2ccccc2F)CC1 219092667 QFBYEWLMPCZADD-SFHVURJKSA-N 379.884 4.808 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 223170375 JGDYPHLVXCBNIE-JOCHJYFZSA-N 394.559 4.568 0 40 GJAB Cc1cc(C)c(C)c(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 223847992 GPWGLZMWHMECPN-UHFFFAOYSA-N 387.892 4.801 0 40 GJAB CC[C@@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc(C)c(C)c1 224466156 FTVWUVKGVYOZLE-JOCHJYFZSA-N 383.513 4.895 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NC1CCCC1 224489037 WEZXUGPUECOGML-KRWDZBQOSA-N 385.335 4.569 0 40 GJAB Cc1ccc(CCC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1C 224510135 YMQILAPQNGUCFG-UHFFFAOYSA-N 383.879 4.598 0 40 GJAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224611711 CFOOIZWZNPDTSV-UHFFFAOYSA-N 388.316 4.834 0 40 GJAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225583492 BUCLWLYDHIKLAU-LJQANCHMSA-N 389.609 4.949 0 40 GJAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1ccc(-c2ccsc2)cc1 225588261 BZJUTZDPHROKPK-OAQYLSRUSA-N 395.505 4.736 0 40 GJAB CC(C)Sc1nnc(NC(=O)CSCc2ccc(Cl)cc2F)s1 225720523 XIDJMBFHTHICJP-UHFFFAOYSA-N 391.946 4.703 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccccc1C 225758902 JOJQYOLAHZLUEE-LJQANCHMSA-N 381.545 4.868 0 40 GJAB Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CCN(Cc3cncs3)CC1)O2 257247635 IZWMIUOSADFSIR-PKOBYXMFSA-N 390.936 4.691 0 40 GJAB Cc1cccc(COc2ccc(NC(=O)[C@H]3CCn4c(cnc4C)C3)c(C)c2)c1 564463689 YRQBBYMMTSTTQK-FQEVSTJZSA-N 389.499 4.588 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@H](Oc2ccncc2Cl)C1 575610255 GBBGMLNDAYKYFL-NSHDSACASA-N 386.666 4.727 0 40 GJAB Cc1cnc(Nc2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)s1 585262497 BSFNNLZJYZRZKC-UHFFFAOYSA-N 384.549 4.876 0 40 GJAB O=C(Cc1ccc(NCc2cnc(C3CC3)o2)cc1)N1CCCc2ccccc21 628197258 YIJMJGXLEQGZQC-UHFFFAOYSA-N 387.483 4.686 0 40 GJAB CC(C)(C)c1ccc2[nH]c(C(=O)NCc3nc(-c4ccccn4)cs3)cc2c1 1163670886 SKRXXRFOAJGIOJ-UHFFFAOYSA-N 390.512 4.914 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCOc2ccccc2)N1c1ccc(F)cc1 1615157649 LOYBKOCOHBHFEA-VXKWHMMOSA-N 396.506 4.643 0 40 GJAB CCCNc1ccc(CNC(=O)N2CC[C@@]3(c4ccccc4)[C@@H](C2)C3(F)F)cc1 1616044352 ZOZNVAJIDPYUPC-IFMALSPDSA-N 399.485 4.627 0 40 GJAB CCOc1ccc(-c2cn3c([n+]2-c2ccc(OC)cc2)CCc2ccccc2-3)cc1 637279 ZOLKUUGAKGHTBQ-UHFFFAOYSA-N 397.498 4.927 0 40 GJAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1ccc(Cl)cc1Cl 869747 GBBUKIBLBWSELD-UHFFFAOYSA-N 392.208 4.726 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC1=O 1020782 PCFYKWHJZIDUEU-GOSISDBHSA-N 377.271 4.522 0 40 GJAB Cc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 1359908 LVGWQDXUFPNKRK-MRXNPFEDSA-N 380.423 4.596 0 40 GJAB Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3Cc2cccs2)cc1 1377796 SBHWBLBEOKBHTA-QZTJIDSGSA-N 389.565 4.759 0 40 GJAB O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(C2CCCCC2)cc1 1441124 ZZFFKZDSRAOVBY-UHFFFAOYSA-N 377.937 4.909 0 40 GJAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl 2351718 PIKNGVJZUILGDT-XDHUDOTRSA-N 388.231 4.690 0 40 GJAB CCSc1nc(NC[C@H]2CCCO2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2410989 MXLBJTPQFOXVDV-CWTRNNRKSA-N 393.578 4.636 0 40 GJAB CCCCc1ccc(N2C3=[N+](CCCS3)C[C@]2(O)c2ccc(C)cc2)cc1 3227244 GRQPNLXUMVAKQH-QHCPKHFHSA-N 381.565 4.508 0 40 GJAB CCN(C(=O)COC(=O)Cc1ccc(Cl)cc1)c1cccc2ccccc12 3236987 SJVLMUZMHAHMOC-UHFFFAOYSA-N 381.859 4.632 0 40 GJAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3cccc(Cl)c3)c2n1 3765476 DQMCPZSEVLSKBR-UHFFFAOYSA-N 377.875 4.890 0 40 GJAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 4556429 CVCJOGBMGGUPHA-LJQANCHMSA-N 397.475 4.954 0 40 GJAB CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 4704405 HKIYAQLFIWOTEC-UHFFFAOYSA-N 393.256 4.969 0 40 GJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(C)c1C)OCO3 4849536 JWAXVYTUYCSDSB-UHFFFAOYSA-N 394.496 4.874 0 40 GJAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1 4854501 IBGDNOLYMMXLPK-JOCHJYFZSA-N 375.472 4.751 0 40 GJAB Cc1sc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1C 4985804 LQZQJBZXYZUVPI-AWEZNQCLSA-N 394.496 4.537 0 40 GJAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3F)=NN12 5092393 HSALKJXCUWIUCN-OAQYLSRUSA-N 379.479 4.570 0 40 GJAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1ccc(F)cc1)C3 5345790 OCJCYGPZGQTRTE-MRXNPFEDSA-N 389.405 4.896 0 40 GJAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)c1c[nH]c2ccccc12 5430193 AATOPMWSEPTULQ-HNNXBMFYSA-N 390.512 4.734 0 40 GJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1C 5861260 YWYGBMQVTQYATI-UHFFFAOYSA-N 388.496 4.675 0 40 GJAB CC[C@@H](C)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 6051615 YQBRKVSOKZFVMJ-CQSZACIVSA-N 390.512 4.986 0 40 GJAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cccc(Br)c1 6316116 HVFRVLJOSLSEAL-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB Cc1n[nH]c(S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)O)n1 6588312 QDCJDXWCIDDXLY-ZSOIEALJSA-N 395.362 4.610 0 40 GJAB Cc1cccc(NC(=O)Cn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)c1C 6967923 ZTDOUCIMTYSWEI-UHFFFAOYSA-N 388.389 4.950 0 40 GJAB COc1ccccc1OCCn1c([C@@H](C)N2CCCCC2)nc2ccccc21 7343622 BTFIAZMZTSOWBV-GOSISDBHSA-N 379.504 4.671 0 40 GJAB CC[C@H](C)n1c(S[C@H](C)C(=O)Nc2cccc(F)c2)nc2ccccc2c1=O 7621062 URUKJQVVVLHUSI-UONOGXRCSA-N 399.491 4.626 0 40 GJAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1cccc(Cl)c1 7814512 YWBOWHKASJEYDV-UHFFFAOYSA-N 394.884 4.805 0 40 GJAB CSc1nc(C)c(CCC(=O)N(C)Cc2ccc(Cl)cc2Cl)c(C)n1 8026289 QAPQKSAITSFEGW-UHFFFAOYSA-N 398.359 4.713 0 40 GJAB C[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccc(-n2ccnc2)cc1 8394396 QWIGUPWSEOMKII-SFHVURJKSA-N 385.467 4.942 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 9134766 VOFMKKYEYDABGM-UHFFFAOYSA-N 378.815 4.879 0 40 GJAB Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCCCC2)cc1 10335003 JHQHBRWAGTURSG-UHFFFAOYSA-N 382.573 4.644 0 40 GJAB CC(C)n1c(SCC(=O)N[C@H](C)CCc2ccccc2)nc2ccccc21 12640165 IWBBEWZOKGSDHH-QGZVFWFLSA-N 381.545 4.847 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccc3c(c2)CCO3)cs1 12920538 ZVHMXOZYTPBEGQ-UHFFFAOYSA-N 389.480 4.798 0 40 GJAB C[C@@H](Oc1ccccc1F)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 19079731 FNEMMOJAMPHFEC-VLIAUNLRSA-N 384.838 4.547 0 40 GJAB CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20143373 GCCKQQMCBCTUEQ-UHFFFAOYSA-N 395.455 4.797 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 22522061 QHTUSZWQHQLWQL-KRWDZBQOSA-N 375.852 4.540 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)COc4cc(C)on4)cc3)sc2c1 25704561 MDRLJAIFDRKEBJ-UHFFFAOYSA-N 379.441 4.586 0 40 GJAB CC(C)c1noc([C@H](C)Sc2nnc(N3CCCCC3)n2-c2ccccc2)n1 27812835 AUSVLUXUKSNGSH-HNNXBMFYSA-N 398.536 4.617 0 40 GJAB C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(Br)cc4)no3)ccc2O1 28286932 YWJDVQWYLASFEW-LLVKDONJSA-N 399.244 4.680 0 40 GJAB O=C(NCCSCc1ccsc1)c1ccccc1C(=O)c1ccc(F)cc1 32753158 BQUMWDGFEHEQHA-UHFFFAOYSA-N 399.512 4.781 0 40 GJAB C[C@](Cc1nc2ccccc2s1)(C(=O)NCc1ccccn1)c1ccccc1 32901479 MIWJJGPHAJUYFD-HSZRJFAPSA-N 387.508 4.508 0 40 GJAB O=C(Nc1ccccc1F)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849230 DTSBYNSFOYZLHY-CQSZACIVSA-N 381.278 4.983 0 40 GJAB COc1cccc2c1N(C(=O)c1ccc(COc3ccccc3F)o1)CCC2 40133165 VUIQIKBSRWRVMU-UHFFFAOYSA-N 381.403 4.599 0 40 GJAB COc1cc(OC)cc(-c2nnc(SCCCc3nc4ccccc4o3)o2)c1 48366908 VRRGFIJVNLARHH-UHFFFAOYSA-N 397.456 4.620 0 40 GJAB O=C1CSC(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)=N1 51330508 WEYCYEKZTKUHIW-UBHYUHGRSA-N 387.508 4.912 0 40 GJAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(C2CCCCC2)cc1 52537645 QYSRLGCFMXXYJK-UHFFFAOYSA-N 395.522 4.634 0 40 GJAB O=C(c1cccnc1SC1CCCC1)N1CCC([C@@H](O)c2ccccc2)CC1 54835753 KVUWDUJNWHEWNZ-NRFANRHFSA-N 396.556 4.702 0 40 GJAB Cc1cc(CNC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c2[nH]c(C)c(C)c2c1 58168793 KEQUUVSBOIQQSX-NRFANRHFSA-N 395.478 4.515 0 40 GJAB CNC(=O)c1ccc(NC(=O)c2csc(-c3ccc(C)cc3C)n2)cc1Cl 63938903 NDHAGKIFBMVTRB-UHFFFAOYSA-N 399.903 4.692 0 40 GJAB CCc1ccccc1NC(=O)CSc1cc(C)nc(-c2ccc(F)cc2)n1 67257124 CJWLHUNLWLNYMF-UHFFFAOYSA-N 381.476 4.884 0 40 GJAB O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1ccc(Cl)cc1 67299260 FFFWQXBLESMRGH-FLFQWRMESA-N 394.814 4.547 0 40 GJAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(-c2nc3ccccc3o2)c1O 70462009 ZOXUMNLHXXMYPZ-UHFFFAOYSA-N 385.634 4.818 0 40 GJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CC[C@@H]1CCCCO1 71894034 ANPOSTQCNVUFHM-GCJKJVERSA-N 394.515 4.808 0 40 GJAB CC(C)COC1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 84544373 YQPKBKPFEUZHJL-UHFFFAOYSA-N 380.941 4.546 0 40 GJAB Cc1sc2ncnc(SCC3CCN(C(=O)C(C)(C)C)CC3)c2c1C 96010366 ZLWVADJWCQIQKF-UHFFFAOYSA-N 377.579 4.685 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCSCc1ccccc1 218999276 ABKLXPAJLJKOMP-LJQANCHMSA-N 385.529 4.737 0 40 GJAB Cn1cccc1CN(C(=O)c1ccc2nc(Cl)n(C)c2c1)C1CCCCC1 222555256 BPFQWXCLKSMTCG-UHFFFAOYSA-N 384.911 4.540 0 40 GJAB COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223350999 VNSNWKYWFLTFHN-SJORKVTESA-N 385.504 4.780 0 40 GJAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1C 224095278 ATDQTTPETUMNJG-UHFFFAOYSA-N 375.468 4.821 0 40 GJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 224209634 DJWZTLUXNNUMGF-RTWAWAEBSA-N 376.529 4.950 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1 224446517 KGIISRYBZAZBCR-FQEVSTJZSA-N 375.896 4.645 0 40 GJAB COc1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)ccc2Cl)cc1C 224652205 WHCUCJNBBUPKQJ-UHFFFAOYSA-N 393.814 4.501 0 40 GJAB Cc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)c(Cl)c1 225229933 LUXVUERUWSMVSU-UHFFFAOYSA-N 379.982 4.661 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccc(C)cc1 225485738 VQYNWTBNUFAWEY-IBGZPJMESA-N 381.545 4.868 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(OC)c2ncccc12)c1ccc(OC)cc1 225491479 KVKNPGRSQQDYFE-KRWDZBQOSA-N 381.501 4.690 0 40 GJAB CC[C@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccc(OC)c(OC)c1 225720738 OAILMBKTWGEIRF-SFHVURJKSA-N 388.533 4.929 0 40 GJAB CCSc1ccccc1C(=O)N1C[C@@H](c2nc(C)no2)[C@H](c2ccccc2)C1 238820292 CMJMCBROCRMITN-RBUKOAKNSA-N 393.512 4.513 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 408659969 LBJLNMVEQASDEV-SFHVURJKSA-N 379.500 4.950 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1C 409105505 IBVHCPKMNWLMTD-UHFFFAOYSA-N 380.517 4.540 0 40 GJAB CC(C)[C@H](Oc1ccc(Br)cc1)c1noc(CCOCC2CC2)n1 508685138 FTAJEYFHYGJGDQ-KRWDZBQOSA-N 395.297 4.577 0 40 GJAB CCCCOc1ccc(C(=O)NCCn2nc(C)c(-c3ccsc3)c2C)cc1 575612696 KZSFGIUSMIGWKW-UHFFFAOYSA-N 397.544 4.837 0 40 GJAB CC(=O)Nc1ccc(C(=O)CSc2nc3cc4c(cc3cc2C)CCC4)cc1 1339949 MFIZOTJGJYDIPF-UHFFFAOYSA-N 390.508 4.965 0 40 GJAB CCOC(=O)c1ccc(NC(=O)Nc2nc3c(Cl)cccc3s2)cc1 1573532 IAQORHTWIZWKIK-UHFFFAOYSA-N 375.837 4.770 0 40 GJAB CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2ccccc2)o1 2375998 YCRBGXFZEKYGKD-UHFFFAOYSA-N 377.510 4.599 0 40 GJAB O=C(Nc1ncc(Cl)c(Cl)c1Cl)c1cc(Br)ccc1O 2388200 KCLSGWDERFOUJU-UHFFFAOYSA-N 396.455 4.762 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cccs3)ccc21 2650854 UZHGRCAVTITVFE-UHFFFAOYSA-N 378.453 4.671 0 40 GJAB Cc1ccc(COc2cccc3c2CCN(Cc2ccccc2F)C3=O)cc1 2716483 NORDDASMIILMMN-UHFFFAOYSA-N 375.443 4.912 0 40 GJAB CCCCSc1nc(C)cc(NC(=S)Nc2ccc(OCC)cc2)n1 3130371 WCELQBKZAQEXSM-UHFFFAOYSA-N 376.551 4.885 0 40 GJAB CC(C)CN(CC(C)C)C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 3256162 FGWZMIYQTHLVSC-UHFFFAOYSA-N 394.726 4.944 0 40 GJAB O=C(Nc1c(-c2ccccc2)nc2ncccn12)c1cccc(C(F)(F)F)c1 4033770 OXXNLYZCWXADGV-UHFFFAOYSA-N 382.345 4.667 0 40 GJAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)Nc1ccccc1Cl 4221023 QEJWDKNYCYPULT-UHFFFAOYSA-N 381.815 4.508 0 40 GJAB Clc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1 4597402 TZYJIWXQPDJEFM-UHFFFAOYSA-N 378.819 4.565 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N2CCCCCCC2)cc1C 4649054 PAVFIMXZBDUHNA-PGMHBOJBSA-N 396.556 4.929 0 40 GJAB CCCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 4815080 CCOGLVOYNBKWKG-OALUTQOASA-N 380.879 4.799 0 40 GJAB COc1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccncc3)=NN2)cc1 6136582 RQTBCYRXGCWBQR-UHFFFAOYSA-N 378.435 4.677 0 40 GJAB O=C1CS[C@H](c2ccc(Cl)cc2)c2c(O)nn(C3CCCCC3)c2N1 6225125 KGXPZBOHYFGYOM-MRXNPFEDSA-N 377.897 4.522 0 40 GJAB Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc12 6527698 BOOFFZWQAYFJLQ-UHFFFAOYSA-N 377.391 4.688 0 40 GJAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)CC(C)C)n(C[C@@H]2CCCO2)c1C 6665304 UKEDUBQEWHJZDY-KRWDZBQOSA-N 394.519 4.812 0 40 GJAB CCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1C[C@H]1CCCO1 6665468 VMTKKPYDNCOUPR-MRXNPFEDSA-N 380.492 4.566 0 40 GJAB CCCCN1CN(CCSc2ccc(C)cc2)Cn2c1nc1ccccc12 7699077 YFGJJEYPKFPFRF-UHFFFAOYSA-N 380.561 4.974 0 40 GJAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 7881834 RIMNYVCWRFIFLS-SFHVURJKSA-N 386.451 4.779 0 40 GJAB C[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc2c(c1)OCCO2 8036240 BEPVISYYPZOBSF-QGZVFWFLSA-N 389.451 4.528 0 40 GJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)c1 8041061 YVWJUQYVZSCVKW-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB CCOC(=O)c1c(CSc2ncnc3ccccc23)nc2ccccc2c1C 8190584 IACSSTJGOBVBRP-UHFFFAOYSA-N 389.480 4.955 0 40 GJAB CCc1ccc(-c2noc(CSc3nnc(Cc4ccccc4)o3)n2)cc1 8428875 VESQLNGLJCTAOU-UHFFFAOYSA-N 378.457 4.565 0 40 GJAB CCCCCc1nnc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)s1 8719149 LHQAWDQXWILJMH-UHFFFAOYSA-N 390.509 4.715 0 40 GJAB CC[C@H](C)Cc1c(C)sc2nc(SCc3nccn3C(F)F)[nH]c(=O)c12 8725173 LVGKEAUYOXLFAZ-VIFPVBQESA-N 398.504 4.766 0 40 GJAB Ic1ccc(-c2nnc(SCc3ccccc3)o2)cc1 9200188 HMWJZGNICYNKCD-UHFFFAOYSA-N 394.237 4.634 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(Cl)cc1)c1ccccn1 11914398 UHYMQHJJJVCDAN-UHFFFAOYSA-N 390.826 4.688 0 40 GJAB CCOc1ccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1 12550643 UNPLTFBLAUDNNC-UHFFFAOYSA-N 387.439 4.564 0 40 GJAB CC(=O)c1c(C)nc(C)nc1SCc1c(C)nn(-c2ccccc2)c1Cl 12761582 UREOVHJSIJLZGI-UHFFFAOYSA-N 386.908 4.736 0 40 GJAB COc1ccc([C@@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c2ccccc2)cc1 12819024 XRGANJYHLMWXIN-YADHBBJMSA-N 393.870 4.558 0 40 GJAB Cc1ccc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 13069876 ZSFGOQBLZUPXTQ-NRFANRHFSA-N 389.455 4.526 0 40 GJAB Oc1ccc(Cl)cc1-c1nnc2c3ccccc3c(Cc3ccccc3)nn12 13624175 IIERHRPDRDXGBU-UHFFFAOYSA-N 386.842 4.894 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 15585380 JMLLAWGLQUBKNS-UHFFFAOYSA-N 376.847 4.694 0 40 GJAB Cc1cc(O[C@H](C)c2nn3c(=O)c4ccccc4nc3s2)cc(C)c1Cl 17078765 MWLOODVTDHTTCF-GFCCVEGCSA-N 385.876 4.714 0 40 GJAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)ncn3C2CC2)cc1 19714298 YWNGFNLYHZAMAG-OAQYLSRUSA-N 375.472 4.747 0 40 GJAB Cc1nc(NCCc2cccc(F)c2)cc([C@H](C)Cn2nc(C)c(C)c2C)n1 19717916 XQLDPXQSXSZGKU-CQSZACIVSA-N 381.499 4.504 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)c(Cl)c1 20456869 RVADVPLAVRMLCM-UHFFFAOYSA-N 396.270 4.968 0 40 GJAB Cc1ccc(-c2cc(C(=O)O[C@H](C)c3nnc(-c4ccc(C)cc4)o3)[nH]n2)cc1 22989242 BWVZCVWRUBXFGK-OAHLLOKOSA-N 388.427 4.662 0 40 GJAB O=C(NC1CCN(Cc2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1 26456981 MEXLYIGUEAXPRN-UHFFFAOYSA-N 396.962 4.933 0 40 GJAB CCc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 31904069 CTWWSOHRUIPTAI-UHFFFAOYSA-N 395.524 4.649 0 40 GJAB Cc1cc(C)cc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 35289092 YWXMVOUIRFGRES-FRIKZZABSA-N 379.573 4.785 0 40 GJAB O=C(NCc1ccncc1)c1cc2sccc2n1Cc1ccccc1Cl 35811075 AWZWNHDNNLFZFR-UHFFFAOYSA-N 381.888 4.730 0 40 GJAB Cc1ccc(/C=C/C(=O)OCc2nc(-c3ccc(Br)cc3)no2)cc1 44836463 XGKRRYGHXGVIQR-IZZDOVSWSA-N 399.244 4.564 0 40 GJAB COc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c(OC)cc1Cl 46729297 MLZJPYFFCRHMAU-UHFFFAOYSA-N 392.242 4.653 0 40 GJAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2Br)cc1 51354308 KBYYOOKVVWLCIF-UHFFFAOYSA-N 377.238 4.578 0 40 GJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(OCc2ccccn2)cc1 56443993 ZBWJZJULGLVBTN-QGZVFWFLSA-N 393.462 4.702 0 40 GJAB C[C@]1(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC1(Cl)Cl 58419233 BGTBTXCPBMYJKP-QGZVFWFLSA-N 384.307 4.617 0 40 GJAB CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)C1CCCC1 67889976 OICIUUNLKXUTDF-UTKZUKDTSA-N 382.504 4.517 0 40 GJAB biogenic,in-vitro O=C(N[C@@H](c1ccccc1)c1cccs1)c1ccc(-c2ccccc2)[nH]c1=O 70005800 IXKZCTKUACMIAB-NRFANRHFSA-N 386.476 4.623 0 40 GJAB Cc1ncc(C(=O)Nc2ccc(Br)cc2Cl)n1-c1ccccc1 78899736 DBAUIGPKLDMOOO-UHFFFAOYSA-N 390.668 4.849 0 40 GJAB CCCCN(CC)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C 96037384 LRWBCRIKMVKZJC-UHFFFAOYSA-N 396.535 4.969 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)cc12 101987278 RROVAUSODFWSPM-GFOCRRMGSA-N 379.529 4.950 0 40 GJAB O=C(CCC(=O)N1CCS[C@@H](c2cc(F)ccc2F)CC1)c1ccccc1 219308362 BOCTUOQYQVUISE-HXUWFJFHSA-N 389.467 4.635 0 40 GJAB O=C(CSCc1ccccc1F)NCCSCc1ccccc1Cl 222699022 CMDMPGITYZHSKK-UHFFFAOYSA-N 383.941 4.762 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)ccc1Cl 222840488 LCAYSHPDLUQZOX-CYBMUJFWSA-N 384.328 4.978 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCCCc2cccc(OC(C)C)c2)cc1 222895014 PCNOLIAISHUMIG-HSZRJFAPSA-N 383.532 4.943 0 40 GJAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 223201181 VBBYOOAKZSZWEN-LBPRGKRZSA-N 384.328 4.663 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 223646451 ONFRVHYVKNQJNW-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB CC(C)(C)c1ccc(OCCNC(=O)CSCc2ccccc2F)cc1 223657478 MXBWMMXGKGWKIV-UHFFFAOYSA-N 375.509 4.552 0 40 GJAB COc1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1Cl 224129835 UKDQHFAVSJDULK-UHFFFAOYSA-N 383.897 4.590 0 40 GJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)c1 224241833 CBGHOQBCGQUVMH-RTWAWAEBSA-N 376.529 4.950 0 40 GJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1CN1CCCC1 224782712 KVHWODUTLCMKIY-IBGZPJMESA-N 388.511 4.519 0 40 GJAB CC[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(C)cc1C 225716949 KFHOTMCZIHYJRQ-HXUWFJFHSA-N 381.545 4.868 0 40 GJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 408564636 ZARVVFMXXPITCL-KRWDZBQOSA-N 382.529 4.822 0 40 GJAB Cc1cccnc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 408621215 LVAIYWKVEFPJQB-PKNBQFBNSA-N 397.887 4.830 0 40 GJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 408625784 FORCGCJUJAEEAM-MRXNPFEDSA-N 397.544 4.591 0 40 GJAB Cc1c(F)cccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 408979570 MWFHBJSODACDQS-NRFANRHFSA-N 376.431 4.634 0 40 GJAB CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 409026100 GCSYKRAORVRIOK-CSKARUKUSA-N 377.271 4.784 0 40 GJAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cc2cc(F)ccc2s1 585149382 NAJOACDTTNLMHQ-GOSISDBHSA-N 375.490 5.000 0 40 GJAB O=C1Nc2nc(cs2)[C@H]2CCCN2Cc2cccc(c2)OCc2cccc1c2 585281642 NSMOIMIZVNNWJO-HXUWFJFHSA-N 391.496 4.625 0 40 GJAB CCOC(=O)c1ccc2nc(NC(=O)C3(c4ccc(F)cc4)CCC3)sc2c1 1133271264 OYJDNIOSGKMZRG-UHFFFAOYSA-N 398.459 4.673 0 40 GJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2cccc(OC)c2)c1 1006677 LALGUDBCNYDTRC-UHFFFAOYSA-N 390.439 4.599 0 40 GJAB Cc1ccc(-c2nc(C)sc2CC(=O)NCCc2ccc(Cl)cc2)cc1 2635691 ZBLDHBZQEMVXES-UHFFFAOYSA-N 384.932 4.982 0 40 GJAB Cc1ccc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 3263387 QMIMEJOMDZOEHM-UHFFFAOYSA-N 392.838 4.919 0 40 GJAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Nc1cccc(Cl)c1 4033223 NNOSYJMMYPNSCG-UHFFFAOYSA-N 393.834 4.702 0 40 GJAB O=C(Oc1ccc2ccccc2c1)c1cc2cc(Br)ccc2oc1=O 4426529 KRUGBODCJBAQEJ-UHFFFAOYSA-N 395.208 4.928 0 40 GJAB O=C1COc2ccc(-c3csc(-c4ccc(Br)cc4)n3)cc2N1 5156752 RSWQXONEHZDIFO-UHFFFAOYSA-N 387.258 4.571 0 40 GJAB CCOC(=O)c1c(NC(=O)NC23CC4CC(CC(C4)C2)C3)sc(C)c1C 5598408 DGMKHGUYJDQDSZ-UHFFFAOYSA-N 376.522 4.632 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1nnc(-c2ccccc2)o1 5705384 UQDBQVRFSOWNQS-UHFFFAOYSA-N 395.802 4.710 0 40 GJAB Cc1occc1-c1nnc(SCC(=O)c2ccccc2)n1Cc1ccccc1 6532210 QYQWRXONFAIFFX-UHFFFAOYSA-N 389.480 4.870 0 40 GJAB Cc1ccccc1NCCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6648785 DFHKWGPKSSLTOQ-QHCPKHFHSA-N 398.510 4.774 0 40 GJAB CC(C)CC(=O)Nc1ccc(C2=NN=C(Nc3ccc(F)cc3)SC2)cc1 6839476 JGCHXTLXOREJHH-UHFFFAOYSA-N 384.480 4.729 0 40 GJAB O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cc(Cl)c2c(c1)OCO2 6852067 KNFZMAVEXLMHFI-UHFFFAOYSA-N 384.815 4.590 0 40 GJAB Cc1cccc(CN2C(=O)N/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=O)c1 6967260 KGJBNXLTBNNJQC-DEDYPNTBSA-N 391.858 4.532 0 40 GJAB C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 7734951 SDKAHSODFQTGJW-SNVBAGLBSA-N 385.769 4.621 0 40 GJAB O=c1[nH]c(CN2CC[C@H]3CCCC[C@@H]3C2)nc2scc(-c3ccc(F)cc3)c12 7900930 RKHJKQOCOWWYKD-GDBMZVCRSA-N 397.519 4.803 0 40 GJAB Cc1nnsc1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 7961904 HUMYSEXBDXYCCN-HNNXBMFYSA-N 396.903 4.543 0 40 GJAB COc1ccc(CN(C)C(=O)COc2ccc(Cl)c3ccccc23)cc1F 7987548 AAJNKJOGIQRGNZ-UHFFFAOYSA-N 387.838 4.678 0 40 GJAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC[C@H]2CCCC[C@@H]21 8340662 LTOIMCVVJWRLNI-GCJKJVERSA-N 386.499 4.729 0 40 GJAB CCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(Cl)c(Cl)c2)n1 8477055 OZLGMAJTZZUEHG-UHFFFAOYSA-N 389.286 4.689 0 40 GJAB C[C@@H]1CCc2sc(-c3nnc(SCc4nnsc4Cl)o3)cc2C1 9882188 PPVQSLVZVREYGN-SSDOTTSWSA-N 384.939 4.720 0 40 GJAB Cc1cc2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3)n2c2c(C)cccc12 11903201 LUFVWTFJXPKDGO-AWEZNQCLSA-N 394.475 4.758 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)no2)cc1F 11916859 IXZAQBMTQMSWGH-UHFFFAOYSA-N 378.447 4.884 0 40 GJAB COc1cccc2ccc(-c3nn4c(-c5ccc(Cl)cc5)nnc4s3)nc12 12391423 CTHWOCCPIVQDTK-UHFFFAOYSA-N 393.859 4.730 0 40 GJAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)C4CCCCC4)c3)cn2n1 12441240 YCSQOYCTWCKIGV-UHFFFAOYSA-N 384.867 4.577 0 40 GJAB CCCN(CC1CC1)Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S 12543632 UZKURPVRVMFGPD-UHFFFAOYSA-N 397.523 4.684 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c(C)c1 12561550 URZACEZGKOWHAF-UHFFFAOYSA-N 379.548 4.673 0 40 GJAB CCOc1ccc(OCCSCCC(=O)Nc2ccc(F)c(F)c2)cc1 12907994 RLAQPLCSXOXLFO-UHFFFAOYSA-N 381.444 4.504 0 40 GJAB COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1Cc1ccccc1 12996446 NTPFWDQMZHAYOA-UHFFFAOYSA-N 377.440 4.556 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)ccc1-n1cccn1 15640432 PMRZCUXNVLNPTI-UHFFFAOYSA-N 384.361 4.554 0 40 GJAB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 16409044 IXAFWNBUXZXPDP-CXUHLZMHSA-N 384.863 4.910 0 40 GJAB CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 16751223 OLKCLFYEZNVKNX-FQEVSTJZSA-N 377.440 4.537 0 40 GJAB CCC(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21 17247874 YUDRHXUEHBDJBL-UHFFFAOYSA-N 376.378 4.647 0 40 GJAB COc1ccc(NC(=O)c2ccc(Cn3cnc4cc(C)c(C)cc43)cc2)cc1 22023773 NHRLZYWFIZAUHN-UHFFFAOYSA-N 385.467 4.962 0 40 GJAB Cc1noc(-c2ccc(C(=O)Nc3ccc(OCC(C)C)c(Cl)c3)cc2)n1 30187835 YBMLENUZCLKUGH-UHFFFAOYSA-N 385.851 4.986 0 40 GJAB CCOc1cccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1 32610055 UCHJAGVDVRQPON-UHFFFAOYSA-N 389.377 4.601 0 40 GJAB Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)Nc1ccccc1 33726337 DCRBZEMGUKKHFH-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)c2cc(=O)c3ccccc3o2)cc1 40009932 CEQAYKHPVQOPND-LJQANCHMSA-N 377.440 4.559 0 40 GJAB Cc1nc2cc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)ccc2o1 40088903 WFZTYSVJIBGMOD-UHFFFAOYSA-N 396.834 4.801 0 40 GJAB C[C@@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)on2)c2ccccc2O1 41155580 GRGLEHBPMUWKPL-GFCCVEGCSA-N 399.244 4.532 0 40 GJAB O=C(Nc1c(Cl)cccc1Cl)c1ccccc1I 42200191 AKLXXXFSIAPKIZ-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccc(Cl)cc1)C3 55396251 NBRDTFQRQWKAOX-UHFFFAOYSA-N 383.875 4.978 0 40 GJAB COc1ccc(Cn2ccn3nc(-c4cccc5ccccc45)cc3c2=O)cc1F 67260761 UOVGIEBJXLPIRG-UHFFFAOYSA-N 399.425 4.512 0 40 GJAB Cc1ccc(Cn2nc(C)c3cc(C(=O)NNc4ccccc4)sc32)cc1 72205870 VDCJMDVWNWHYRD-UHFFFAOYSA-N 376.485 4.520 0 40 GJAB Cc1ccc(Nc2nc(NCc3ccccc3Cl)nc3c2cnn3C)cc1C 72238763 JIRIQGFUDJNGGE-UHFFFAOYSA-N 392.894 4.989 0 40 GJAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2Cc2ccc(F)cc2)n1 72376766 YKQDLPLAQVGKAY-HXUWFJFHSA-N 380.442 4.731 0 40 GJAB C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1cccc2cnccc12 79046085 JVXCUWRIIVUXPU-MBSDFSHPSA-N 388.515 4.609 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccncc2)C12CCCCC2 79492523 FPZXYXLHRDPFSP-NRFANRHFSA-N 391.515 4.619 0 40 GJAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 96118931 BPIBSQNNJZLASZ-OAHLLOKOSA-N 385.217 4.627 0 40 GJAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC 96562337 KOGZWTQJZAHUNP-YBEGLDIGSA-N 375.833 4.598 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@H](C)C2 100471127 WQQWVBYKBCAENQ-DSJMHWKBSA-N 375.534 4.813 0 40 GJAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc2c(c1)CCCC2 223140664 HOOOQKDTCSGRIT-DEOSSOPVSA-N 387.527 5.000 0 40 GJAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1ccccc1F 224876122 LPFPERXMKMNBKH-UHFFFAOYSA-N 389.224 4.815 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCN2c3ccccc3C[C@@H]2C)c1 225310099 VRTGKSAWLCRDLE-VQTJNVASSA-N 394.559 4.843 0 40 GJAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(Br)cc1F 225636155 TYCVOEFPOBTYSZ-GFCCVEGCSA-N 397.313 4.651 0 40 GJAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 225745301 PZZHXFPWBPAFCK-UHFFFAOYSA-N 394.780 4.621 0 40 GJAB COc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)C4CCCC4)C3)c2)cc1 257203298 APKPCSZDOYEIMJ-SFHVURJKSA-N 379.504 4.648 0 40 GJAB COc1ccccc1C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257314154 UVODWEHIJCNANG-IBGZPJMESA-N 396.874 4.905 0 40 GJAB C=C[C@@H]1C[N@@+]2(Cc3ccccc3)CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccccc12 390822390 RTHFVUKMXCJYPA-LBFYUUMSSA-N 385.531 4.880 0 40 GJAB C/C(=C\c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1)[N+](=O)[O-] 408530310 DXXZKQHWKNZGQH-CWOSXULZSA-N 388.217 4.705 0 40 GJAB CCc1ccc(NC(=O)C(=O)c2c(-c3ccc(OC)cc3)cc3ccccn23)cc1 408674578 AHPNDEBQYUTVHO-UHFFFAOYSA-N 398.462 4.999 0 40 GJAB Cc1ccc(COc2ccccc2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409242233 VXUMONNKSNFGNO-PXLXIMEGSA-N 398.462 4.667 0 40 GJAB Cc1cc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)n(-c2ccccc2)n1 525018184 VZLQERDCKMGGRF-UHFFFAOYSA-N 396.878 4.681 0 40 GJAB O=C(Cc1csc(-c2cccnc2)n1)N1Cc2ccccc2-c2ccccc21 612666135 XVTMBUVISDWHCY-UHFFFAOYSA-N 383.476 4.961 0 40 GJAB CC(C)c1c(-c2ccccc2)[nH]c2ccc(I)cc2c1=O 685938117 CQLDZIICXMWISW-UHFFFAOYSA-N 389.236 4.923 0 40 GJAB Cc1cccc(COc2cccc(CC(=O)Nc3ccc4c(=O)[nH]ccc4c3)c2)c1 1632455034 RKQTXQJVGHDNHQ-UHFFFAOYSA-N 398.462 4.597 0 40 GJAB COc1ccc(OC)c(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C)c1 881264 LLXIBLNSXRVOKG-UHFFFAOYSA-N 396.512 4.908 0 40 GJAB Cc1cccc(Oc2coc3cc(O[C@H](C)C(=O)OC(C)C)ccc3c2=O)c1 942545 NVAZQWSSNYFCNB-OAHLLOKOSA-N 382.412 4.613 0 40 GJAB biogenic Cc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC(Cl)=CN21 2050280 MEXVCVXQRYIIFV-UHFFFAOYSA-N 393.718 4.927 0 40 GJAB CCCCCc1ccc(-n2c(N)c(C(=O)OC)c3nc4ccccc4nc32)cc1 2367792 JXHSDBUQQBCYFN-UHFFFAOYSA-N 388.471 4.675 0 40 GJAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1cccc(Cl)c1 3216400 LUACVDNUEAEVBI-UHFFFAOYSA-N 379.843 4.731 0 40 GJAB O=C(CSc1ccccc1)Nc1nc2ccc(Br)cc2s1 3257173 KWYXQBVVFDINQG-UHFFFAOYSA-N 379.304 4.790 0 40 GJAB CCN(C(=O)COC(=O)c1ccc2ccccc2n1)c1cccc2ccccc12 3275310 OOOCBAFMDNKLAI-UHFFFAOYSA-N 384.435 4.598 0 40 GJAB COC(=O)c1ccc(/C=C/C(=O)O[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cc1 3362543 VTDZKLGWSPRKRF-WPBGYSLVSA-N 394.467 4.599 0 40 GJAB O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 3404503 UEYPFNSYBYEYNQ-UHFFFAOYSA-N 384.907 4.627 0 40 GJAB Cc1oc2cc(Oc3nnnn3-c3ccccc3)ccc2c(=O)c1-c1ccccc1 3440159 OFCFEBXFSINPBT-UHFFFAOYSA-N 396.406 4.536 0 40 GJAB O=C1N/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1 4698980 SKJRITYPYJQGBX-KGENOOAVSA-N 388.398 4.502 0 40 GJAB CCOC(=O)c1cc(-c2cccc(NC(=O)NCc3ccccc3)c2)oc1C 4722750 DMABAFAPKGMQOT-UHFFFAOYSA-N 378.428 4.753 0 40 GJAB Cc1cccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 4937139 RLXMVIBRLYUEBU-UHFFFAOYSA-N 389.401 4.867 0 40 GJAB Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@H]2c2ccccc2)c(C)c1 5452153 UJZUDIAJDGJDDH-XMMPIXPASA-N 384.479 4.733 0 40 GJAB CCOc1cc(C=O)cc(Br)c1OC(=O)c1ccccc1Cl 5651977 QMYTZTBOODTGEC-UHFFFAOYSA-N 383.625 4.533 0 40 GJAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 5868574 FIZQLOXXNKVOHE-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB COc1ccc(-c2cc(C)nc(S[C@@H]3C(=O)[C@H]4CC[C@]3(C)C4(C)C)n2)cc1 5926583 TYYQZGMUYLJLMG-PERKRYKHSA-N 382.529 4.947 0 40 GJAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1COc2ccccc2O1 6272166 FGLSWSRHLGHPPH-CQSZACIVSA-N 391.267 4.503 0 40 GJAB COc1cccc(-c2nc(COC(=O)CCC(=O)c3ccc(F)cc3)cs2)c1 6420451 UFNAETNNBVBHAB-UHFFFAOYSA-N 399.443 4.664 0 40 GJAB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1ccccc1-c1ccccc1 6508548 GSRANFQIXRGNDC-UHFFFAOYSA-N 399.479 4.608 0 40 GJAB Cc1ccccc1-c1nnc(SCc2cc(Cl)c3c(c2)OCCO3)n1C 8184557 ZLZNRFIUMXQWMV-UHFFFAOYSA-N 387.892 4.507 0 40 GJAB CCc1sc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1C 9155463 FWNPOMHZRFLLGO-UHFFFAOYSA-N 399.541 4.631 0 40 GJAB COc1cc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(C)n1 11613251 HCRKIMBSSGSTAZ-UHFFFAOYSA-N 384.439 4.943 0 40 GJAB O=C(Cc1cccs1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 12023278 MBVZQRPVHKDHBP-UHFFFAOYSA-N 387.508 4.519 0 40 GJAB CCn1ncc2c(C(=O)Nc3ccc(C(C)=O)cc3)cc(-c3cccs3)nc21 12808576 NHPXCXADQODSEI-UHFFFAOYSA-N 390.468 4.635 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2noc(-c3ccccc3)c2c1 12892965 BCXKZDAJIMEWGQ-UHFFFAOYSA-N 381.435 4.949 0 40 GJAB biogenic CCCN1CCC(Nc2nc(-c3cccnc3)nc3sc(C)c(C)c23)CC1 14244849 HCYODYYEEYROBD-UHFFFAOYSA-N 381.549 4.656 0 40 GJAB O=C(Nc1ccccc1F)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 14609430 IVKDJYDOQOCWPT-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB CCc1cccc(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)c1 15582520 MJDZZFKLRHOBGB-UHFFFAOYSA-N 382.485 4.950 0 40 GJAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 19910715 ADMHCWUBABFNRE-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB COc1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)ccc1OCc1cccs1 22076385 SXHDONGRNUFPEX-KSFYIVLOSA-N 383.513 4.547 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)NC1CCCCC1 22504853 LBCZEHCQTNQKTM-UHFFFAOYSA-N 377.488 4.734 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 22514395 FCOALSPHKRPVDQ-AEFFLSMTSA-N 382.504 4.546 0 40 GJAB COc1ccc(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1Br 23764841 TVXRSHOEZBKFEA-SNVBAGLBSA-N 384.220 4.569 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl 27386660 KSMTUZBOZBNSDY-AWEZNQCLSA-N 390.936 4.740 0 40 GJAB O=C(COc1ccccc1F)Nc1ccc(-c2nc3cnccc3o2)c(Cl)c1 32072832 CYJDVILUUPCZBI-UHFFFAOYSA-N 397.793 4.700 0 40 GJAB O=C(CSCc1ccc(Br)cc1)NCc1ccccc1Cl 32793756 YKYVSBXPBHYLEM-UHFFFAOYSA-N 384.726 4.652 0 40 GJAB COc1cc(-c2nc3ccc(C)cn3c2Nc2ccccc2OC)ccc1O 35615985 UWSGXJOJIZLPRO-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB COc1ccc(NC(=O)c2cc3occc3n2Cc2ccccc2F)cc1OC 36357705 YNTMLCYHFZVFCQ-UHFFFAOYSA-N 394.402 4.691 0 40 GJAB Cc1ccc(-n2cnnc2SCc2nc3ccccc3nc2C)cc1Cl 36855782 ZWWRDMSBYUOCHP-UHFFFAOYSA-N 381.892 4.773 0 40 GJAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc(C(C)C)c2)cs1 40130494 UUAPWOUQZPPIIL-UHFFFAOYSA-N 383.473 4.601 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 44937229 NNSCVDGDCZOQCU-DEOSSOPVSA-N 394.559 4.811 0 40 GJAB Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1ccc(F)c(F)c1 58157477 FQVURTTYSJZVIY-UHFFFAOYSA-N 379.819 4.755 0 40 GJAB CNC(=O)c1ccc(NC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)c(C)c1 58330771 TZSNMMQIQPDVLK-UHFFFAOYSA-N 394.302 4.718 0 40 GJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 65547025 FSXFIOOFTRUDMR-QGZVFWFLSA-N 396.384 4.900 0 40 GJAB N=C(Nc1ccc2c(c1)OCCO2)SCc1csc(Cc2ccccc2)n1 71817288 GRXJBTMFRZZWIL-UHFFFAOYSA-N 397.525 4.785 0 40 GJAB COc1cc(C(=O)NCc2ccccc2C(F)(F)F)nc2c(C)cc(F)cc12 72329518 IUIZUEUPOWDJBQ-UHFFFAOYSA-N 392.352 4.640 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](c2csc(Nc3cc(F)ccn3)n2)C1 72359897 ODQSOCSFRRIFEG-GFCCVEGCSA-N 378.473 4.535 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(Cc4nc(C)c5ccccc5n4)CC3)c2c1 95356908 RZBWATSCEZUCFY-UHFFFAOYSA-N 384.483 4.717 0 40 GJAB 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[C@]12C 118924263 HZUUHCXBSGFHDC-OLCLNGENSA-N 376.537 4.750 0 40 GJAB Cc1ccc(CN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1 149733441 AFUUOJWTHUPYRZ-MHWRWJLKSA-N 388.286 4.994 0 40 GJAB Cn1cccc1CN(C(=O)c1ccc2c(c1)nc(Cl)n2C)C1CCCCC1 222555172 DHIZJELCENHKBX-UHFFFAOYSA-N 384.911 4.540 0 40 GJAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc(CN2CCOCC2)c1 224345020 MMXZFGLMFVXLJU-UHFFFAOYSA-N 386.451 4.671 0 40 GJAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COCc1ccccc1 224457859 DZHJTTNJDHPZAG-UHFFFAOYSA-N 395.886 4.995 0 40 GJAB FC(F)(F)c1cc(NC(=S)NCc2ccc3c(c2)OCO3)ccc1Cl 225376723 BRQINASLQXNJMZ-UHFFFAOYSA-N 388.798 4.574 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(SCC(C)C)s1 225543572 LZHBFXUWBDBXGH-OAHLLOKOSA-N 379.551 4.699 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C(=O)OCC 225808165 GVSNHUGCYYOKTI-OPAMFIHVSA-N 391.508 4.576 0 40 GJAB O=C(COc1ccccc1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257200647 AEFKHCSXSLZBBB-OAQYLSRUSA-N 394.446 4.537 0 40 GJAB O=C(c1cccc(Cl)c1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408613046 WTSZKKSQERSEJY-UHFFFAOYSA-N 382.935 4.858 0 40 GJAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 408627137 KOKQFXZZLAKUHN-CQSZACIVSA-N 387.936 4.846 0 40 GJAB COc1cccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)c1 408679237 VOTRXCQRRZABJH-UHFFFAOYSA-N 388.398 4.575 0 40 GJAB CCCCOc1ccc(C2=N/C(=C\c3ccc(OC)c(OCC)c3)C(=O)O2)cc1 409003633 IXWANMSQEJAJGH-RGEXLXHISA-N 395.455 4.617 0 40 GJAB CN(C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)C1CCC(F)(F)CC1 585083328 RGIUCYGOGDQXDW-UHFFFAOYSA-N 380.479 4.640 0 40 GJAB CC(C)([C@@H](NCc1ccc2c[nH]nc2c1)c1ccc(F)c(F)c1)N1CCCC1 660238261 GKHNTJISOQRYSN-NRFANRHFSA-N 384.474 4.546 0 40 GJAB CC1(C)CN(C(=O)[C@@H]2CCc3ccccc3O2)c2cc(C(F)(F)F)ccc2O1 1133939180 UOQHGRMKXLHXOH-SFHVURJKSA-N 391.389 4.603 0 40 GJAB O=C(Nc1cc(-c2ccccc2F)on1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 1217068349 QZTYAHVVPDUTQL-FXAWDEMLSA-N 399.397 4.662 0 40 GJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)c3c(O)ccc4ccccc34)cc12 984705 GBZFMDKXLNAYDT-UHFFFAOYSA-N 379.419 4.819 0 40 GJAB COC[C@@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 1447657 XZWBVVYCCYLQEE-MRXNPFEDSA-N 388.471 4.543 0 40 GJAB O=S(=O)(c1cccc2ccccc12)N1CCS[C@@H]1c1ccc(Cl)cc1 2202014 XGDGADMJMYQLKI-LJQANCHMSA-N 389.929 4.930 0 40 GJAB Cc1ccc(CNC(=O)/C=C/c2cc(Br)ccc2OC(F)F)cc1 2661941 JJYBPAVYPXWTPD-RMKNXTFCSA-N 396.231 4.689 0 40 GJAB COc1ccc(-c2nnc(SCc3ccccc3Br)o2)cc1 3353621 RBXMRUWYZCVYQF-UHFFFAOYSA-N 377.263 4.800 0 40 GJAB CC(C)Cn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccco1 3451167 MXGOJJMJRNUIAW-UHFFFAOYSA-N 381.910 4.884 0 40 GJAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1cccs1 3466021 JNLHHKFZCGHZJK-UHFFFAOYSA-N 381.482 4.623 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cc(C)oc1C)c1ccccc1 3530164 PMNVYXQILXESCW-OAQYLSRUSA-N 393.439 4.750 0 40 GJAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(C(=O)c2ccccc2)cc1 4063459 OMUPWONWQOEVAM-UHFFFAOYSA-N 385.448 4.688 0 40 GJAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 4933909 AJCUBZZOBQUOCE-NRFANRHFSA-N 390.483 4.891 0 40 GJAB Cc1ccc(Cl)c(NC(=O)CSc2ncnc3ccccc23)c1Cl 5505331 AMYPWUJCVCJCHN-UHFFFAOYSA-N 378.284 4.976 0 40 GJAB CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1CCCC2 5717862 IICLLORKIBGTLS-UHFFFAOYSA-N 378.494 4.752 0 40 GJAB biogenic COc1ccc2nc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)[nH]c2c1 6314376 BQARTBCWLLEQDV-VIFPVBQESA-N 396.299 4.998 0 40 GJAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H]1CCCc2ccccc21 6852821 HHLOKVWJGAHYTC-FQEVSTJZSA-N 393.512 4.786 0 40 GJAB CCCOc1c(Cl)cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 7364366 ZQEAXDZHXLCYBX-FQEVSTJZSA-N 386.879 4.866 0 40 GJAB CCOc1c(Br)cc(CNCc2ccccc2Cl)cc1OC 8253359 RMADNAWOBYUCLR-UHFFFAOYSA-N 384.701 4.800 0 40 GJAB O=C(Nc1ccc(Cl)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 8281178 SLJUNSKEHVGKMM-UHFFFAOYSA-N 377.831 4.819 0 40 GJAB Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1 8929946 BITSIZKYNMEUFI-INIZCTEOSA-N 377.440 4.562 0 40 GJAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(F)c3)ccc21 8959270 DEDPRJZOHVHSNW-UHFFFAOYSA-N 398.478 4.876 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10546841 COYSGRBMERWFMJ-KRWDZBQOSA-N 386.455 4.546 0 40 GJAB CC(C)(C)C(=O)N[C@H](c1nccs1)C1CCN(CC2CCCCC2)CC1 12365672 MTMLMCPCLZACQL-SFHVURJKSA-N 377.598 4.639 0 40 GJAB COc1ccc(OC)c(C(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)c1 12560044 YDCIVTPFTSCJAP-UHFFFAOYSA-N 387.439 4.603 0 40 GJAB COc1cccc(NC2=NN=C(c3ccc(NC(=O)C(C)(C)C)cc3)CS2)c1 12642848 JXPWRGMMZMYHGT-UHFFFAOYSA-N 396.516 4.599 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC=CC[C@H]4C(=O)O)cc3)sc2c1 12649975 VVRPUWRAIBUXRZ-IAGOWNOFSA-N 392.480 4.877 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 12897516 FWZWMWPZRVCRKZ-CQSZACIVSA-N 387.439 4.698 0 40 GJAB O=C(N1CCC[C@H]1c1ccc2c(c1)OCCO2)C1(c2ccc(Cl)cc2)CCC1 12940145 ABTJJYHTUWCVNE-IBGZPJMESA-N 397.902 4.897 0 40 GJAB CC(=O)c1cccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)c1 13149482 HMBDUWNUWLRKEP-ALOPSCKCSA-N 375.559 4.830 0 40 GJAB O=C(O)c1ccc(CNCc2ccc(OCc3ccccc3Cl)cc2)cc1 16449886 FMTHEHNMSXEDFF-UHFFFAOYSA-N 381.859 4.907 0 40 GJAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(Cl)cc1 18032436 QTQISMCPARBBHV-UHFFFAOYSA-N 379.272 4.509 0 40 GJAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1)c1ccccc1 18120000 XBAKTJNLEVHYFW-QGZVFWFLSA-N 390.458 4.888 0 40 GJAB COc1cccc(CNc2ncc(-c3cccs3)c(-c3nccs3)n2)c1 19565717 ZEXJDUXPSMKNBD-UHFFFAOYSA-N 380.498 4.949 0 40 GJAB CC[C@H](NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1)c1c(C)nn(CC)c1C 19717637 PRKCKMWQUPJRRW-SFHVURJKSA-N 397.910 4.511 0 40 GJAB O=C(NCc1ccccc1Cl)C1CCN(Cc2ccccc2Cl)CC1 20102735 HTXUALPHDBEAOJ-UHFFFAOYSA-N 377.315 4.522 0 40 GJAB COc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 20112369 PJBKTQVLLCAHEV-UHFFFAOYSA-N 384.328 4.594 0 40 GJAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 20491973 ZSFPIENZXWMFDJ-GOSISDBHSA-N 394.515 4.842 0 40 GJAB CC[C@H](C(=O)Nc1nc(CN2CCc3ccccc3C2)cs1)c1ccccc1 21681474 BCAALMOJPCUHAS-NRFANRHFSA-N 391.540 4.834 0 40 GJAB O=C(Nc1ccccc1C(=O)Nc1ccccc1Br)c1ccccc1 24549609 RLWWQBAZDIBYIH-UHFFFAOYSA-N 395.256 4.954 0 40 GJAB O=C(Nc1cccc(-c2nnco2)c1)c1nc(-c2ccccc2)n2c1CCCCC2 24741695 NSWXULBLWIRWCH-UHFFFAOYSA-N 399.454 4.579 0 40 GJAB CC(C)[C@H](C(=O)N[C@@H](c1ccccc1)c1nccn1C)c1ccc(Cl)cc1 25051021 OTQGRPSQMCKTNU-PMACEKPBSA-N 381.907 4.719 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccnc1Oc1ccccc1 25384391 UEFFSHZRKDAMCS-IBGZPJMESA-N 393.512 4.502 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccc(C)cc2)cc1 30753010 AEFWZKRCASTQBK-INIZCTEOSA-N 375.559 4.534 0 40 GJAB Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](C)c4ccccc4)c(C)c3cc12 30819236 NOYKMUOHZGFCKC-INIZCTEOSA-N 389.451 4.966 0 40 GJAB CC(C)(C)OC(=O)N[C@H](CSCC1c2ccccc2-c2ccccc21)C(=O)O 32098785 AIZZGGDXFGAYMR-LJQANCHMSA-N 399.512 4.510 0 40 GJAB Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 33708539 SRFDAWJCAMRPEL-ZRGWGRIASA-N 398.576 4.996 0 40 GJAB Cc1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 34367894 AKMPQHOBTRNOGQ-PGMHBOJBSA-N 394.499 4.946 0 40 GJAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(-c3nccn3C)c2)cc1OC 40146445 QBXJCXQKJMAKNY-PKNBQFBNSA-N 391.471 4.536 0 40 GJAB COc1ccc([C@@H](C)NC(=O)[C@H](SCc2ccccc2)C(C)C)c(OC)c1 58306775 SDSDTYMSTRRWTF-IIBYNOLFSA-N 387.545 4.839 0 40 GJAB COc1cccc(-n2c(SCc3ccc(C)cc3)nc3ccccc3c2=O)c1 67259226 XQYPJQSQVQFVSQ-UHFFFAOYSA-N 388.492 4.995 0 40 GJAB COc1ccc2cc([C@@H](C)N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc2c1 72304831 UDXGTDVWXHYBLY-QGZVFWFLSA-N 392.474 4.507 0 40 GJAB Fc1ccc(COc2cccc(NCc3noc(Cc4ccccc4)n3)c2)cc1 72312451 BVHZEMAGSQZXLH-UHFFFAOYSA-N 389.430 4.991 0 40 GJAB O=C(c1cc(-c2ccccc2)on1)N(CCc1cccs1)Cc1cccnc1 77183812 BYBVHRJJIRZZTQ-UHFFFAOYSA-N 389.480 4.683 0 40 GJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 77200173 JQVSXLLBIZFWRS-QZTJIDSGSA-N 378.428 4.723 0 40 GJAB CC(=O)c1csc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)n1 83862104 IGYBHPVFISTBSB-UHFFFAOYSA-N 382.407 4.815 0 40 GJAB COc1cc2c(cc1OC)CC(=O)N(Cc1ccc(Cl)cc1Cl)C=C2 95475718 WPLXNBFDANWYDU-UHFFFAOYSA-N 378.255 4.566 0 40 GJAB O=C(C[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21)NC1CCC1 96052746 KPVWNSHISKWAKO-IBGZPJMESA-N 394.584 4.828 0 40 GJAB CC(C)(C)OC(=O)N1CC[C@]2(CCc3cc(OCc4ccccc4)ccc3O2)C1 96319633 YIDLHEZMBXSYKH-XMMPIXPASA-N 395.499 4.970 0 40 GJAB Cc1ccccc1[C@@H]1C=C(c2ccc(Cl)cc2OC(F)F)Nc2ncnn21 102800005 MOJRTBHTQRBFDA-INIZCTEOSA-N 388.805 4.897 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 222865683 RGOBUIVHJBOECD-UXHICEINSA-N 396.947 4.908 0 40 GJAB CC[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc2c(c1)CCCC2 223047858 HFQZONVPUNUQMG-JOCHJYFZSA-N 398.506 4.946 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 223599188 ZALRYIAQFACDEE-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB CCOC(=O)c1c(NC(=O)CCc2ccc(C)c(C)c2)sc2c1CCCC2 223729033 RSZMIVASZKENPJ-UHFFFAOYSA-N 385.529 4.992 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 225015177 MBWWHWMJDKRIPX-JOCHJYFZSA-N 396.531 4.617 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1CCCNc1ccccc1 225033592 ZKUHGCILYKWMIJ-WOJBJXKFSA-N 394.569 4.618 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl 225352883 XJSZNIPTRXVCOA-UHFFFAOYSA-N 379.287 4.705 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(OC)cc2)cc1Cl 225466015 AVJCXXWZJYXFFQ-LBPRGKRZSA-N 392.908 4.573 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225801739 KCEIGSSOWPIIPC-QVKFZJNVSA-N 379.497 4.574 0 40 GJAB CC(C)(C)c1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccccc3)CC1)O2 225818546 UCOORHRJLWCVPQ-UHFFFAOYSA-N 377.484 4.624 0 40 GJAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 226285594 GXUFWYGYTQUNSK-UHFFFAOYSA-N 390.361 4.909 0 40 GJAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1cc(-c2ccc(F)cc2)[nH]n1 390825803 DKWSPGKOHFJYFM-UHFFFAOYSA-N 397.413 4.783 0 40 GJAB CCOc1cc(C(=O)Nc2cc(F)ccc2C)cc(Br)c1OCC 408618811 GWOLJLOGKMHPAJ-UHFFFAOYSA-N 396.256 4.946 0 40 GJAB CCCCOc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)CC)CC2)cc1 408708186 HITVNBXTLRMNMQ-UHFFFAOYSA-N 388.552 4.915 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 408708772 SLMQDYQMKTYHJD-KLHKWILBSA-N 390.955 4.804 0 40 GJAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(Cl)cc3Cl)o2)cc1 408714780 WRFUVZILYORHKP-UHFFFAOYSA-N 376.243 4.624 0 40 GJAB CCOC(=O)C1=CNc2c(-c3ccc(Cl)cc3)c(C)nn2[C@@H]1c1ccccc1 409025983 CRUCSFLJCUMICC-HXUWFJFHSA-N 393.874 4.974 0 40 GJAB Cn1nccc1[C@@H]1CCCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 505852869 BNGAKXDXHWCSJW-DVECYGJZSA-N 398.510 4.705 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 547135472 ZEODZSHXZVMBTB-HNBVOPMISA-N 397.519 4.568 0 40 GJAB CCc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccccn3)cs2)cc1 585294522 HSYXVIRDDGSWNV-FQEVSTJZSA-N 392.528 4.690 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)C1(c2cccs2)CCCC1 1775968372 DJZOUWIJLREBEO-CQSZACIVSA-N 387.526 4.731 0 40 GJAB Cc1ccc(CNC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1 1026407 UCHOISBBLUWAGL-UHFFFAOYSA-N 379.510 4.845 0 40 GJAB O=C(Nc1nc2c(s1)C(=O)C[C@H](c1ccccc1)C2)c1ccc(Cl)cc1 1326389 GLLGEXKPDLRPOD-CQSZACIVSA-N 382.872 4.962 0 40 GJAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2OC)ccc1O 2273218 JSSLUGUQTICIAX-QFIPXVFZSA-N 390.439 4.571 0 40 GJAB Cc1[nH]c2ccccc2c1CCNC(=S)Nc1ccc(Br)cc1 2451561 GDKNIFQGGJAJBY-UHFFFAOYSA-N 388.334 4.768 0 40 GJAB Cc1ccccc1Cn1cc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cn1 2465908 QFJLNUKECLSERY-QGZVFWFLSA-N 392.503 4.631 0 40 GJAB Cc1cc(OCC(=O)NCC2(N3CCCCC3)CCCCC2)ccc1C(C)C 2633108 QEFHJQSZWOXVSJ-UHFFFAOYSA-N 386.580 4.802 0 40 GJAB COc1ccccc1NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 2709823 KEROZSIHZVUYML-UHFFFAOYSA-N 379.485 4.647 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)s2)c(C)c1 3247279 NYQRPBXJXDFSFM-OAHLLOKOSA-N 398.557 4.868 0 40 GJAB CC(C)n1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033467 UUYVHKAYDMPSMS-CQSZACIVSA-N 398.304 4.900 0 40 GJAB CC[C@H](C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1 4062236 WRQQONOQAKKASU-AWEZNQCLSA-N 396.541 4.583 0 40 GJAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)cc1Cl 4167242 JYOPCXTYANNPGO-UHFFFAOYSA-N 375.906 4.898 0 40 GJAB O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)C1CCCCC1 4384991 HFADMIBOWGSILV-UHFFFAOYSA-N 395.934 4.977 0 40 GJAB CCC(=O)Oc1cc2c(-c3cc4cccc(OC)c4o3)cc(=O)oc2cc1C 4586172 KQHJTFZJVMTKHF-UHFFFAOYSA-N 378.380 4.839 0 40 GJAB biogenic CC[C@H]1CCc2nc3sc(C(=O)N[C@H](C)c4ccccc4)c(N)c3cc2C1 4620102 RQKMXMOOFSCDLJ-KGLIPLIRSA-N 379.529 4.884 0 40 GJAB CC(C)(C)c1ccc(-c2nnc3sc([C@@H]4COc5ccccc5O4)nn23)cc1 4664904 KCIINISVKAZGCK-KRWDZBQOSA-N 392.484 4.663 0 40 GJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 4690761 TYZZDHCNONSAPG-HZHRSRAPSA-N 398.462 4.667 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C(C)(C)C)cc2)C1 4703081 DHQVSDMXAVUVRS-OAHLLOKOSA-N 384.907 4.938 0 40 GJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)c(OC)c1 5253050 FAACTDGNFHHGQS-QTJGBDASSA-N 399.506 4.711 0 40 GJAB CCOC(=O)c1ccc2[nH]c(C)c/c(=N/c3ccc(N4CCCCC4)cc3)c2c1 5808835 ZOTVYWANHLMHHN-UHFFFAOYSA-N 389.499 4.876 0 40 GJAB O=C(COc1ccccc1)Nc1nnc(SCc2ccc(Cl)cc2)s1 6051637 VMIPZQBYRVVFSP-UHFFFAOYSA-N 391.905 4.501 0 40 GJAB Cc1nc(SCC(=O)N[C@H](C)c2ccccc2)c2c3c(sc2n1)CCCC3 6113796 NGBVYLUDXFAOBN-CYBMUJFWSA-N 397.569 4.848 0 40 GJAB COc1cc(/C=C/C(=O)N(C)Cc2ccc(Cl)cc2)ccc1OC(F)F 6602506 WBQSXIAQBWYQDV-UXBLZVDNSA-N 381.806 4.622 0 40 GJAB CC[C@@H](Oc1ccccc1)C(=O)N(CC)Cc1nc(-c2ccc(Cl)cc2)no1 6760249 RFODYRWHUOVMPB-GOSISDBHSA-N 399.878 4.596 0 40 GJAB CCOc1cc(C[C@@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC 6960498 GIFNEXLFOKDIQV-KRWDZBQOSA-N 391.876 4.558 0 40 GJAB Cc1cc2oc(=O)cc(Cn3cnc4sc(C)c(C)c4c3=O)c2cc1C(C)C 7382925 LVGUJJNRXDVLOQ-UHFFFAOYSA-N 394.496 4.661 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)/C=C/c1nc2ccccc2s1 7432723 XJXZMQDDHWNVSA-GETOMWPZSA-N 390.464 4.914 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1 7882426 FKMNEYSGCCPOES-SFHVURJKSA-N 386.451 4.779 0 40 GJAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1C1CC1 8316447 XLZBMZGCMRFYII-HNNXBMFYSA-N 392.528 4.558 0 40 GJAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1Nc1ccccc1 9933296 HVHPNNFHLGHBNK-UHFFFAOYSA-N 382.467 4.888 0 40 GJAB Cc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)sc2c1 11914898 ZRBOAAUADYGIJT-LBPRGKRZSA-N 391.452 4.835 0 40 GJAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)Nc1cccc2ncccc12 12321459 RGLLVEMEHNLHMT-LJQANCHMSA-N 377.469 4.510 0 40 GJAB Fc1cccc(-c2nnc3sc(-c4cccc(Br)c4)nn23)c1F 12388962 HXOYAGONQSEGIE-UHFFFAOYSA-N 393.216 4.561 0 40 GJAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2cc(C)c3ccccc3n2)cc1 12653217 WYZZAPAQRZAYTQ-AWEZNQCLSA-N 379.485 4.621 0 40 GJAB COc1cc(CN(C(=O)Nc2ccc(C)cc2)C2CC2)ccc1OC(F)F 12975809 CCJWFGKDZNZOCV-UHFFFAOYSA-N 376.403 4.802 0 40 GJAB CCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)cc1 13634854 QMDVVKGQTHQARL-OAQYLSRUSA-N 391.471 4.677 0 40 GJAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)OCO3)cc1 14794204 UQIHTOPFPQEKJY-UHFFFAOYSA-N 377.396 4.859 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1ccc(F)c(F)c1)N[C@@H](c1ccc(C)cn1)C2 19216072 WPKJDGXTJZMZIQ-NFBKMPQASA-N 396.437 4.662 0 40 GJAB Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCCCN2C2CCCCC2)n1 19766966 UHZUDQKLUHWRKK-JOCHJYFZSA-N 392.547 4.575 0 40 GJAB Cc1cn(S(=O)(=O)c2cc(Cl)c(Cl)cc2C)c(-c2ccccc2)n1 19943802 JPRVOERUXLLOPS-UHFFFAOYSA-N 381.284 4.711 0 40 GJAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1)c1ccncc1 20746112 SWCJBXHDRWODPR-UHFFFAOYSA-N 376.799 4.761 0 40 GJAB biogenic CN(Cc1ccc(Br)cc1)Cn1nc(-c2cccs2)[nH]c1=S 22311008 OWKYQXVBARUJNA-UHFFFAOYSA-N 395.351 4.521 0 40 GJAB O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1c(F)cccc1F 22766017 ODBWGPHVVLUNBE-HXUWFJFHSA-N 398.478 4.556 0 40 GJAB CCCOc1ccc(C(=O)Nc2nc(-c3ccc(OCC)cc3)ns2)cc1 27994087 CSHXGTJQBDTDMR-UHFFFAOYSA-N 383.473 4.645 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(Sc3nccc(C(F)(F)F)n3)o2)cc1 29439189 VNAIZYDQXUBLCO-UHFFFAOYSA-N 380.395 4.994 0 40 GJAB CCCc1sc(C(=O)N(CC)CC(=O)Nc2c(F)cccc2F)cc1CC 31173448 AXKAQTMBKXMIJT-UHFFFAOYSA-N 394.487 4.642 0 40 GJAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)o2)cc1C 32593680 JBFMBEJHKDOYQZ-UHFFFAOYSA-N 389.860 4.635 0 40 GJAB Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 32842952 PNWCCFBMIFJEFG-XMMPIXPASA-N 385.511 4.624 0 40 GJAB COCC(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 32901211 GIUMJQBTPGOOPY-NRFANRHFSA-N 384.479 4.729 0 40 GJAB CCc1nc(C)c2c(C)c(C(=O)NCc3cccc(C(F)(F)F)c3)sc2n1 32903151 SUYAFDPDOIILEQ-UHFFFAOYSA-N 393.434 4.819 0 40 GJAB CNc1snc(C)c1C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 32903687 KWTJDSKNNATOOI-OAHLLOKOSA-N 396.541 4.598 0 40 GJAB CSCC[C@@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O 34212925 VUQXEQQIHKTYRT-GOSISDBHSA-N 387.501 4.521 0 40 GJAB CC(C)c1ccc(Cc2nnc(NC(=O)c3ccc4ncsc4c3)o2)cc1 36657446 QYXZWJVRJABWGX-UHFFFAOYSA-N 378.457 4.646 0 40 GJAB CC(C)(C)OC(=O)N1CCC(NC(=O)/C=C/c2cccc(Cl)c2Cl)CC1 40158032 PZOORSUPYHHIBO-BQYQJAHWSA-N 399.318 4.522 0 40 GJAB CC(C)NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1 44087495 VAZMNBCOMOYCJV-UHFFFAOYSA-N 385.920 4.809 0 40 GJAB Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)c1 59418700 CIKLSOBRDHMXKB-NFJKTXFASA-N 399.877 4.742 0 40 GJAB Cc1cccc(C(=O)Nc2cc(Cl)ccc2-c2nc3ccccc3[nH]c2=O)c1 79068438 KHYKSIHYVJYSIZ-UHFFFAOYSA-N 389.842 4.804 0 40 GJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCCOc2ccc(F)cc21 83862498 FSXFIOOFTRUDMR-KRWDZBQOSA-N 396.384 4.900 0 40 GJAB O=C(c1cccs1)c1ccc(CNC(=O)c2c(F)cccc2Cl)s1 90610566 SVPBDNUEUDNWNM-UHFFFAOYSA-N 379.865 4.763 0 40 GJAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)C1(c2ccccc2)CCOCC1 96117959 XSLDWKZUZFIZQA-OAQYLSRUSA-N 392.474 4.549 0 40 GJAB CN(C(=O)c1cc(-c2ccccc2)no1)c1ccc(Br)cc1F 97712458 PHICXVMEEZAKGB-UHFFFAOYSA-N 375.197 4.520 0 40 GJAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccc(C(C)(C)C)cc1 102448643 AADAKLCVEFEOCI-VGSWGCGISA-N 382.529 4.927 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)c1C 103718243 XMDLABFTPYWVPF-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB COc1ccc(CCCNC(=O)c2ccccc2OCc2ccccc2)cc1 218986385 QHIWKAUKFCXICB-UHFFFAOYSA-N 375.468 4.637 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 222776082 TVPVEJLOYLDSPB-RTBURBONSA-N 382.920 4.518 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223874530 CUCXJGMDSZPWKO-LJQANCHMSA-N 395.543 4.871 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)o2)cc1 224852673 QFPWRDFSKOMHRO-UHFFFAOYSA-N 390.361 4.940 0 40 GJAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cn1 225876566 PRQJZMQVAWYZEH-UHFFFAOYSA-N 388.895 4.601 0 40 GJAB CCc1nc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2n1C 225897100 XSBGNBDHDABYCQ-UHFFFAOYSA-N 383.495 4.978 0 40 GJAB CCc1ccc(N(C(=O)[C@@H](OC)[C@@H]2CCOC2)c2nc3ccccc3s2)cc1 622765453 QZFFCEWBMURFBH-UZLBHIALSA-N 396.512 4.575 0 40 GJAB O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H](c1cccs1)C1CCOCC1 1565523405 MZGZUFCROVKPHU-SFHVURJKSA-N 383.435 4.594 0 40 GJAB CCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccncc2)n1 812438 JJCCNMJLPACICH-UHFFFAOYSA-N 378.819 4.913 0 40 GJAB CCc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(C)cc2c1 881287 MREFWWBVXYVFAH-UHFFFAOYSA-N 394.496 4.608 0 40 GJAB Cc1ccc(OC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 1224427 HGVLUIAXGDNYSN-UHFFFAOYSA-N 391.452 4.533 0 40 GJAB CC(C)(C)NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 1381395 GNZBFLWUXBCAGO-UHFFFAOYSA-N 387.936 4.745 0 40 GJAB O=C1[C@@H]2CS[C@H](c3ccccc3F)N2C(=O)N1c1cccc2ccccc12 2314652 RFNCHPMIEVCHSK-AZUAARDMSA-N 378.428 4.562 0 40 GJAB Cc1nnc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 3332668 TVJHAEFSNKPDRC-YUMQZZPRSA-N 376.334 4.511 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2cccc2[C@@H]1c1ccncc1 4329876 XKQRCIKWKYQCDC-SFHVURJKSA-N 387.270 4.827 0 40 GJAB CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 4588311 FTCJBFYUYWTOBX-CQSZACIVSA-N 383.492 4.833 0 40 GJAB Cc1cccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@@H]2c2ccccc2)c1 4815016 SOQYXTAHTUZKSM-PKTZIBPZSA-N 394.478 4.968 0 40 GJAB CC(C)CCn1c(SCC(=O)Nc2cccnc2Cl)nc2ccccc21 5266651 AVCBRDXPLLDDBB-UHFFFAOYSA-N 388.924 4.862 0 40 GJAB CC(C)NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 6049687 ZPUXVZTVNDTNFW-UHFFFAOYSA-N 377.922 4.628 0 40 GJAB CCc1ccc(C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 6708921 LCQDKMZMSKCLPA-UHFFFAOYSA-N 399.825 4.939 0 40 GJAB Cc1sc(N[C@@H](C)c2ccccc2)nc1-c1ccc(NS(C)(=O)=O)cc1 7109549 YIDLCTZFRHNXMJ-ZDUSSCGKSA-N 387.530 4.663 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 7653830 KTTZGJFHIKCJGZ-UHFFFAOYSA-N 376.909 4.576 0 40 GJAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 7830459 RQUPXDHDQWHNCS-ZDUSSCGKSA-N 382.510 4.821 0 40 GJAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 8163622 KPZBQPDPSFOFHY-BRWVUGGUSA-N 394.544 4.635 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 8288684 XZPAIOWNXOFOBB-SNVBAGLBSA-N 384.657 4.517 0 40 GJAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2-c2nc3ccccc3[nH]2)cc1 8657335 GTJHSPCDQXRSST-VHXPQNKSSA-N 383.407 4.923 0 40 GJAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc(C)sc2C)cc1 8980585 SBKYBVULJOROAZ-UHFFFAOYSA-N 378.497 4.856 0 40 GJAB C[C@@H](Nc1ncnc2sc(-c3ccccc3)cc12)[C@@H](O)c1ccc(O)cc1 9076697 BIKYSLSTBFFZRG-BFUOFWGJSA-N 377.469 4.598 0 40 GJAB O=C(Nc1ccc(Cl)cc1)c1ccccc1OCc1cn2ccccc2n1 9314118 HLYCVZADCAFQDK-UHFFFAOYSA-N 377.831 4.819 0 40 GJAB COc1ccccc1[C@H]1CC(=O)c2c(C)nn(-c3nc4ccccc4s3)c2C1 10157238 BBYPYYIAMRSSFN-CQSZACIVSA-N 389.480 4.712 0 40 GJAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4cc(C)cc(C)c4)c3)cn2n1 12441200 RDZLAOGYNIYWQR-UHFFFAOYSA-N 386.455 4.582 0 40 GJAB COc1ccccc1Oc1coc2c3c(ccc2c1=O)OCN(C1CCCC1)C3 12442501 YMYPZJUTHDLQST-UHFFFAOYSA-N 393.439 4.688 0 40 GJAB biogenic COc1cccc(NC(=O)[C@H](Nc2ccc3oc(C)nc3c2)c2ccccc2)c1 12555547 PQHGGPXTTZYFMP-JOCHJYFZSA-N 387.439 4.937 0 40 GJAB CCOc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)ccc1O 12745119 VVCKYKNMOITVOV-FYWRMAATSA-N 384.435 4.660 0 40 GJAB CCc1ccc(CN(C)C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12778584 AZHAOZNJDACBJW-QHCPKHFHSA-N 396.531 4.949 0 40 GJAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(OC(F)(F)F)cc1 12868052 AXBZAECCSYKVLE-UHFFFAOYSA-N 377.362 4.676 0 40 GJAB O=c1ccc2ccc(OCc3csc(COc4ccc(F)cc4)n3)cc2o1 12891444 BDANKZVJSHZEPM-UHFFFAOYSA-N 383.400 4.547 0 40 GJAB CC(C)CCOc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)cc1 13071468 NTUILJJUHGOMFT-UHFFFAOYSA-N 375.896 4.916 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 13994878 DRUVELACNLAMGU-NRFANRHFSA-N 394.515 4.854 0 40 GJAB C[C@@H](Sc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1Cl 14135657 VJXJPZYBXAYCEV-OAHLLOKOSA-N 399.947 4.969 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3nc4c(s3)CCCC4)n2)cc1 14241444 IRAKIYOOFXAVCT-UHFFFAOYSA-N 396.516 4.767 0 40 GJAB O=C(NCCSCc1ccccc1Cl)c1ccc(N2CCCCC2)cc1 14398478 AIHGPDHBIWSAGI-UHFFFAOYSA-N 388.964 4.994 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccccc2)cc1 14609671 CNLCGQLYBKUSAB-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB O=C(NCCOc1ccccc1)c1ccccc1-c1ncc(-c2ccccc2)o1 15534681 FZPYOVPBWDSEEA-UHFFFAOYSA-N 384.435 4.817 0 40 GJAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)s2)cc1 16141672 WXGWPXHECPSYGH-CQSZACIVSA-N 380.307 4.887 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2scnc2C)n1 19691308 ZRZRRWFIXLVPEV-IBGZPJMESA-N 381.476 4.938 0 40 GJAB C[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)[C@@H](O)c1ccccc1 22076616 VYQBNRUFRDRUFK-VBKZILBWSA-N 386.289 4.921 0 40 GJAB O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Br)C1CCCCC1 28228760 PQJCXSZKHQNNDS-UHFFFAOYSA-N 396.716 4.866 0 40 GJAB C[C@@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(OC(F)(F)F)cc1 32817077 WIINZHVWFRTMJN-MRVPVSSYSA-N 379.165 4.778 0 40 GJAB COc1cccc(NC(=O)[C@H](OC(=O)c2cccc(C)c2C)c2ccccc2)c1 32838846 ATYWVOQBQMJVAL-JOCHJYFZSA-N 389.451 4.849 0 40 GJAB O=C(COc1ccccc1-c1noc(-c2ccc(F)cc2)n1)Nc1ccccc1 33324940 XVNZSXQAFOVRKV-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB COC(=O)c1cc(Nc2cc(Cl)c(OC)cc2OC)c2cccc(F)c2n1 38486946 UKYUUIYVUOBVOB-UHFFFAOYSA-N 390.798 4.575 0 40 GJAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2c(C)noc2C(C)C)cn1 40090816 SEMAHDXZKXCPMK-UHFFFAOYSA-N 381.432 4.863 0 40 GJAB Cc1ccccc1CSCC(=O)NCc1ccc(CN2CCCCC2)cc1 44873298 YCVRIFNRONSICL-UHFFFAOYSA-N 382.573 4.531 0 40 GJAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 44917331 YCUYMBOCMDOQHD-UHFFFAOYSA-N 375.472 4.814 0 40 GJAB Cc1cc([C@H](C)NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c(C)s1 48277479 POWDVQDWJIOGGT-FMKPAKJESA-N 387.549 4.861 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364558 YJYYOFUXCIUFEN-KRWDZBQOSA-N 378.859 4.807 0 40 GJAB Cc1cc(C)n(-c2nc3cc4nc(-n5nc(C)cc5C)sc4cc3s2)n1 57327716 YZZUHLRVBQVHTJ-UHFFFAOYSA-N 380.502 4.511 0 40 GJAB CCc1ccccc1NC(=O)CNC(c1ccc(F)cc1)c1ccc(F)cc1 57553617 NJZUBGGGFHOQDB-UHFFFAOYSA-N 380.438 4.845 0 40 GJAB Fc1ccc(C(NCc2nc(-c3ccsc3)no2)c2ccc(F)cc2)cc1 63471141 PYRMORBXVARDFW-UHFFFAOYSA-N 383.423 4.956 0 40 GJAB Cc1cc(SCC(=O)N2CCCc3ccccc32)nc(-c2ccc(F)cc2)n1 67257083 QUCVQNCBYSPHDS-UHFFFAOYSA-N 393.487 4.663 0 40 GJAB CNC[C@H]1CC[C@H](c2cc(CN(C)CC[C@H](C)c3ccccc3)n(C)n2)CC1 100687705 NZDNDERJOJHPRF-JAXLGGSGSA-N 382.596 4.539 0 40 GJAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc(Br)c1 102706625 NKEZPWKLBKGRCC-PBWTXFEYSA-N 398.300 4.631 0 40 GJAB Cc1cc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2c(-c3ccc(F)cc3)noc2n1 104062141 ZPYCPBKYWRMZBQ-ILXVDBEPSA-N 393.462 4.892 0 40 GJAB O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1ccc(O)cc1 110701036 WTPQJXKPIQUUCQ-VGOFMYFVSA-N 398.793 4.956 0 40 GJAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)C12CC3CC(CC(C3)C1)C2 207965806 KYVVZRVUGSXUNJ-BAMAOYLXSA-N 387.570 4.724 0 40 GJAB O=C(NCc1ccc([C@H](O)c2ccccc2)s1)c1ccc(F)cc1Cl 207969889 ZMNIEJIKOPHFCV-GOSISDBHSA-N 375.852 4.552 0 40 GJAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc2c(c1)CCCC2 223138196 IXRSDLUBAOPPRW-FQEVSTJZSA-N 387.545 4.620 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 223701590 YERDYOFLCJMFEH-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccccc1CN1CCCCC1 224850026 GTJNQQDFFSZGSP-QHCPKHFHSA-N 394.559 4.763 0 40 GJAB COc1cccc(NC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 225760481 ULNSHXUBXPOXOA-MRXNPFEDSA-N 389.455 4.830 0 40 GJAB Nc1cc(C(=O)OC2c3ccccc3-c3ccccc32)ccc1Br 226322389 XABKPHCMFVOMLK-UHFFFAOYSA-N 380.241 4.958 0 40 GJAB COC(=O)C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253498527 FMACOWSJEUFNHK-ABLGMATKSA-N 388.548 4.545 0 40 GJAB Cc1ccc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)nc1 257228957 FVZRLSWXFSZKRX-QGZVFWFLSA-N 376.456 4.728 0 40 GJAB Cc1nc(Nc2cccc(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)n2)sc1C 257234351 GTDMIEYTENGQBH-GOSISDBHSA-N 396.560 4.961 0 40 GJAB CC(C)COC(=O)c1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1 408731925 QVTOFCBNAZBAFT-HMAPJEAMSA-N 399.446 4.997 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 408921614 JQZPAJNWSBPCLB-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C1N[C@H](CC(F)(F)F)C(=O)N1c1cccc(CSC2CCCCC2)c1 562483088 UBBAVWCFVQTLHD-OAHLLOKOSA-N 386.439 4.630 0 40 GJAB COc1ccc(CN(C(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c2ccncc2)cc1 622811519 ZFUMVDBVSMLSOO-FPOVZHCZSA-N 386.442 4.839 0 40 GJAB COCc1ccccc1Nc1ccccc1-c1noc(-c2ncccc2F)n1 1615610505 KCBDWRKCVQJKTH-UHFFFAOYSA-N 376.391 4.828 0 40 GJAB COc1ccc(-c2csc(N3CCC[C@@H]3C(=O)OCc3ccccc3)n2)cc1 1102653 FMAKBFIGCKNFAX-HXUWFJFHSA-N 394.496 4.531 0 40 GJAB Cc1cccc(C(=O)Nc2ccccc2N2CCN(c3ccc(F)cc3)CC2)c1 1362842 HYADUXBMAKLSLV-UHFFFAOYSA-N 389.474 4.713 0 40 GJAB Clc1ccc(-n2cc(-c3ccccc3)c3c(N4CCOCC4)ncnc32)cc1 1447599 KVCNPJOPNPJDQK-UHFFFAOYSA-N 390.874 4.578 0 40 GJAB CCOC(=O)N1[C@@H](c2ccccc2)C=C[C@H](c2ccccc2)N1C(=O)OCC 1615975 DNDWOOYOJNPXEM-WOJBJXKFSA-N 380.444 4.871 0 40 GJAB biogenic CC(C)OC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCCC2 2081804 NACSLIMHNPOAFV-UHFFFAOYSA-N 375.465 4.974 0 40 GJAB Cc1ccc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1 3087137 CWKULNNVTMTZPO-UHFFFAOYSA-N 376.300 4.658 0 40 GJAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 3254974 ZDJVMYNLVMCELP-UHFFFAOYSA-N 397.887 4.936 0 40 GJAB O=C1OCC[C@H]1Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 3295601 VTCRTVIKESIOBG-MRXNPFEDSA-N 392.402 4.511 0 40 GJAB Cc1sc2nc(-c3cccnc3)nc(NC[C@@H](c3ccco3)N(C)C)c2c1C 3332925 BCXOLDUUFBWBRA-INIZCTEOSA-N 393.516 4.678 0 40 GJAB COc1ccc(NC(=O)C[C@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)cc1 4043045 IVYTXXQCTQTSQX-VWNXMTODSA-N 397.515 4.805 0 40 GJAB biogenic CCCCC(=O)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1 4078235 HXTLHUFDJCLMDL-UHFFFAOYSA-N 375.441 4.978 0 40 GJAB COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1 4137806 HSJGHXJDAJQGPF-UHFFFAOYSA-N 377.397 4.714 0 40 GJAB CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(C(C)C)cc1 4162676 LDHIGVGOVWPHCX-UHFFFAOYSA-N 381.428 4.750 0 40 GJAB COc1ccccc1C(=O)N(Cc1ccccn1)c1nc2ccccc2s1 4304760 IUSAPFJFGSQERG-UHFFFAOYSA-N 375.453 4.547 0 40 GJAB CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccccc1 5311693 SJIYOUWMXDOICW-UHFFFAOYSA-N 376.485 4.730 0 40 GJAB Cc1ccc2[nH]c(C3CCN(CC(=O)Nc4cccc(Cl)c4C)CC3)nc2c1 5626061 UQHYMIBJUMAGLI-UHFFFAOYSA-N 396.922 4.651 0 40 GJAB Cc1ccc(CSC2=NCCN2C(=O)COc2ccc3ccccc3c2)cc1 6204540 ZHORMOLLXSEDQX-UHFFFAOYSA-N 390.508 4.659 0 40 GJAB COc1cccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 6623874 QKWUKCKIUCNUCO-UHFFFAOYSA-N 391.423 4.654 0 40 GJAB biogenic Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)oc2ccccc12 6649727 SABOXSZOUWQJEB-UHFFFAOYSA-N 386.333 4.593 0 40 GJAB COc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2C)cc1 6747565 CNHZFAYEBTUNDG-UHFFFAOYSA-N 399.874 4.858 0 40 GJAB Cc1cc(C)c2nc(NC(=O)[C@@H](NC(=O)c3ccccc3C)C(C)C)sc2c1 6779461 XSKGJLISFUWFSH-SFHVURJKSA-N 395.528 4.615 0 40 GJAB COc1cccc(-c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)c1 7446509 YNOBPPUBOPHIJG-UHFFFAOYSA-N 385.876 4.536 0 40 GJAB CCOc1ccccc1Nc1nnc(Sc2ncnc3sccc23)s1 8164408 LSWUCEWRJVTIBG-UHFFFAOYSA-N 387.515 4.836 0 40 GJAB CCCSc1nnc2nc3c(c(O)n12)C1(CCCCC1)Cc1ccccc1-3 8738070 NAJVUSYVJUNEFC-UHFFFAOYSA-N 380.517 4.757 0 40 GJAB CC(=O)Nc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccs3)C2)c1 8774936 BKVGLJJFJNXBLT-QGZVFWFLSA-N 395.509 4.760 0 40 GJAB C[C@H]1C[C@H](Sc2nc(Nc3ccccc3Cl)c3ccccc3n2)C(=O)O1 9512736 VDSKOKBNHWFWDQ-ZBEGNZNMSA-N 385.876 4.823 0 40 GJAB CCN1C(=O)c2cccc3c(NC(=O)CSc4ccc(OC)cc4)ccc1c23 10022770 CPLNLKDDHMXUDS-UHFFFAOYSA-N 392.480 4.559 0 40 GJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(NC(=O)c2ccco2)c1 11177894 IXQDNEDRCZTLKY-UHFFFAOYSA-N 388.345 4.732 0 40 GJAB CC(=O)c1ccc(N2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)cc1 12641435 DXFMZMCYTPBVSI-UHFFFAOYSA-N 395.890 4.520 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2OCC(F)(F)F)cc1 12764984 ZELDWTFGBKJJHS-UHFFFAOYSA-N 395.377 4.628 0 40 GJAB C[C@@H]1CCCCN1C(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 12844402 CHINCKVPFBKKJX-GFCCVEGCSA-N 399.438 4.639 0 40 GJAB CCN(C(=O)[C@H](C)Sc1nnc(C2CC2)n1CC)c1cccc2ccccc12 12873895 ALAAZCNHXXAYBG-HNNXBMFYSA-N 394.544 4.862 0 40 GJAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cc2ccccc2s1 12924959 SAIRYLKEFNMFKG-UHFFFAOYSA-N 393.508 4.539 0 40 GJAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)C1 12992889 NPPTXKOPUDSDGJ-NSHDSACASA-N 384.332 4.934 0 40 GJAB Brc1ccccc1-c1nnc2sc(-c3c[nH]c4ccccc34)nn12 13692456 GJITUCGTKKWNGK-UHFFFAOYSA-N 396.273 4.764 0 40 GJAB O=C(CSc1ccccc1)Nc1ccnn1Cc1c(Cl)cccc1Cl 14122891 AQBGDPNTGZPWRL-UHFFFAOYSA-N 392.311 4.969 0 40 GJAB COc1ccc2c(C)c(CCC(=O)Nc3cccc4c3CCCC4)c(=O)oc2c1 16445466 DUAMLEKBQSIMGW-UHFFFAOYSA-N 391.467 4.560 0 40 GJAB CCc1ccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1 16839909 WOKOYYHNVMLRFD-UHFFFAOYSA-N 384.435 4.511 0 40 GJAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(C(C)C)c1 17247032 AHYVEDAMMXLMFQ-CALCHBBNSA-N 381.582 4.855 0 40 GJAB Cc1ccc(CN(CCCn2ccnc2)CC2=Cc3ccccc3OC2)s1 19217147 LHWYIXNQVOAGNH-UHFFFAOYSA-N 379.529 4.621 0 40 GJAB CC(C)COc1cccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 20609896 XLNKUMOCJXFEDR-UHFFFAOYSA-N 386.455 4.708 0 40 GJAB COC(=O)c1sccc1NC(=O)c1ccc(C2SCCCS2)cc1 21589377 LBMCNYFRUWTKJG-UHFFFAOYSA-N 379.528 4.656 0 40 GJAB COc1cc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c(OC)cc1Cl 23296716 USYAMMHKOAUSFN-UHFFFAOYSA-N 388.851 4.669 0 40 GJAB O=C([C@@H]1CC=CCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 24132420 WVKMTGMGTRFQNB-HXUWFJFHSA-N 396.481 4.555 0 40 GJAB C[C@H](Sc1nncn1C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 24746204 VZDFHXDYVRCLHK-ZDUSSCGKSA-N 383.908 4.720 0 40 GJAB Cc1ccc(CCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1Cl 25383926 HXDXUXRVKVTWHM-SFHVURJKSA-N 376.953 4.596 0 40 GJAB O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCO2 28328989 UFXUPMPTVPNFML-INIZCTEOSA-N 378.255 4.742 0 40 GJAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3cccs3)c3ccccc23)c(C)c1 28535358 RAUIUWJSPGVYLS-UHFFFAOYSA-N 389.480 4.843 0 40 GJAB Cc1cccn2cc(COc3ccc(C(=O)N(C)Cc4cccs4)cc3)nc12 31347519 WQWIAOAAHJWDNG-UHFFFAOYSA-N 391.496 4.555 0 40 GJAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(CN2CCCC2=O)cc1 32819014 CBQIBNUGMRYJRZ-UHFFFAOYSA-N 385.467 4.805 0 40 GJAB O=C(NCc1cccs1)Nc1cc(Br)ccc1Br 40104717 SKVCWTXGDYYVMD-UHFFFAOYSA-N 390.100 4.595 0 40 GJAB CC(=O)c1ccc(NC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 40138964 UYHBYDUQOYPDOS-JOCHJYFZSA-N 398.466 4.871 0 40 GJAB O=C1CCCN1c1ccccc1NC(=O)N1CCC[C@H]1c1ccccc1Cl 40152262 PHEYQEITSJNGHX-SFHVURJKSA-N 383.879 4.836 0 40 GJAB C[C@H](CCc1ccco1)NC(=O)CCn1ccc2cc(Br)ccc21 41105494 KNMKWNMWHFNXIJ-CQSZACIVSA-N 389.293 4.524 0 40 GJAB O=C(Nc1cccs1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 42380432 XPBHDZLEVUKFJL-GFCCVEGCSA-N 388.493 4.817 0 40 GJAB Cc1cc2nc(N)sc2c(C)c1NC(=O)COc1ccc(Cl)cc1Cl 45890257 VSBJRUUFYMZANI-UHFFFAOYSA-N 396.299 4.820 0 40 GJAB Clc1ccc(-c2nn3c(CN4CCCCCC4)nnc3s2)c(Cl)c1 49547470 OOEWQNNFGOVJAM-UHFFFAOYSA-N 382.320 4.536 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3cccc(Oc4ncccn4)c3)c2)cs1 56907126 FACUOXRDOLNKDN-UHFFFAOYSA-N 388.452 4.953 0 40 GJAB O=C(CSc1ncnc2c(-c3ccccc3)c[nH]c12)Nc1cc(F)ccc1F 71328121 HUQLGIFWMWPACB-UHFFFAOYSA-N 396.422 4.634 0 40 GJAB COc1ccc2cc([C@@H]3CC(c4ccsc4)=NN3C(C)=O)c(Cl)nc2c1 71924256 TWPRVOWACHKMED-SFHVURJKSA-N 385.876 4.656 0 40 GJAB COc1cccc(C(=O)N2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)c1 72375137 MSDBZZLWZWOPHB-FQEVSTJZSA-N 388.471 4.515 0 40 GJAB Cn1c([C@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)nc2ccccc21 84313994 LKQCOWBKCHDLRP-GOSISDBHSA-N 387.405 4.960 0 40 GJAB Brc1ccc(C2(NCc3cnc([C@@H]4CCCO4)s3)CC2)cc1 89783036 VUSQMVBNKYWSDM-HNNXBMFYSA-N 379.323 4.536 0 40 GJAB Cc1ccc(-c2n[nH]cc2CNc2cc(N3CCCC3=O)ccc2Cl)cc1 95455306 DPYAESCQCWKASU-UHFFFAOYSA-N 380.879 4.777 0 40 GJAB O=C(NCc1cccs1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96038053 RVDYNGFZWCLBIX-UHFFFAOYSA-N 398.491 4.784 0 40 GJAB Oc1ccc(O)c2c1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 100020334 HGWPFZAIXJHLBN-NXEZZACHSA-N 380.869 4.856 0 40 GJAB Cc1nc(SCC(=O)c2ccc3c(c2)[C@@H](C)C(=O)N3)n(C2CCCC2)c1C 102883968 YQZIOIGHTXLFNY-GFCCVEGCSA-N 383.517 4.646 0 40 GJAB C[C@@H](NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 108850797 HUJBDQZODZRTGQ-MSQSPTIYSA-N 393.483 4.577 0 40 GJAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCS[C@@H](c2ccccc2)CC1 208041815 UEEJJBSDYPAABZ-QGZVFWFLSA-N 381.419 4.906 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1C(C)(C)C)CC(C)(C)O2 222801388 XOYOPBADPIKHEA-IBGZPJMESA-N 397.515 4.790 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc3c4c(cccc24)CC3)c(OC)c1OC 223452502 WVSHDZSGOJRYJV-SDNWHVSQSA-N 389.451 4.616 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224619270 OIOSAPAVHCIRIN-HUUCEWRRSA-N 391.895 4.619 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225329450 VIOJMAYANRKIPV-UHFFFAOYSA-N 379.287 4.705 0 40 GJAB CCCCOc1ccc(C(=O)Nc2cc(C)c(O)c(Br)c2)cc1 226242738 FEMJPLZULSRCCI-UHFFFAOYSA-N 378.266 4.894 0 40 GJAB CC[n+]1cc(Br)cc(-c2nc3ccc(Br)cc3s2)c1 226776767 OPOUFAMVHYDMCA-UHFFFAOYSA-N 399.131 4.796 0 40 GJAB Cc1nc2ccccn2c1-c1nnc2sc(/C=C/c3cccc(Cl)c3)nn12 227143656 DAAQPOSOMSNDIP-CMDGGOBGSA-N 392.875 4.633 0 40 GJAB Clc1ccc(CN2CCCC[C@H]2c2ccc(Nc3ncccn3)nc2)cc1 257206223 BCLSRNITJIFOIQ-IBGZPJMESA-N 379.895 4.996 0 40 GJAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4F)OCC[C@@]31C2 257315665 VCIMCPPOGYPSTI-KGKWWCKXSA-N 389.511 4.633 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc(C)c1C 408622450 PJEBVNFOFNKWKG-UHFFFAOYSA-N 383.300 4.746 0 40 GJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(CC)cc2)c1 408628646 VWJUKFZXWASJSN-UHFFFAOYSA-N 383.517 4.505 0 40 GJAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccccc2)c1C 408697165 FLMYNWSHWRCUOE-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccccc3C)n2)c1 408698395 NHXGOBQWZSKKPH-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB C[C@H]1CCc2sc(C(=O)N3CCC[C@H](c4cc(C(F)(F)F)n[nH]4)C3)cc2C1 461956496 HXIQKQZLJJRVQJ-RYUDHWBXSA-N 397.466 4.635 0 40 GJAB O=C(Nc1cc(Cl)ccc1NCC1CCCCC1)c1noc2c1COCC2 527607076 FISKTWUWIUAFIT-UHFFFAOYSA-N 389.883 4.645 0 40 GJAB O=C(NCc1noc(C2CC2)n1)c1ccccc1-c1ccc(C(F)(F)F)cc1 535016964 WOWFHQAMPQQQOB-UHFFFAOYSA-N 387.361 4.563 0 40 GJAB CCc1csc(CC2CCN(Cc3ccc(C(=O)O)c(Cl)c3)CC2)n1 656191507 YEBPPHXWRAGILG-UHFFFAOYSA-N 378.925 4.512 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1C(F)(F)F 675008433 YLKDMWYOUVGJLV-AWEZNQCLSA-N 397.443 4.959 0 40 GJAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)cc1 814753 UOHHCHMHQVBAMB-UHFFFAOYSA-N 386.860 4.916 0 40 GJAB Nc1c(C(=O)Nc2ccc(Cl)cc2F)sc2nc(-c3ccncc3)ccc12 2326412 GQQSPFKCLRQSDN-UHFFFAOYSA-N 398.850 4.985 0 40 GJAB CC(=O)Nc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 3438082 OQCJZTSNBUMNIM-VXGBXAGGSA-N 395.286 4.597 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)NCCc4ccc(F)cc4)c(N)c3cc2C1 4620020 LQAGKUWJOGOJPA-ZDUSSCGKSA-N 397.519 4.505 0 40 GJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(SC(F)F)cc1 5127224 VICMTHCFTXWKMJ-UHFFFAOYSA-N 395.471 4.699 0 40 GJAB Cc1ccc(C(=O)O)cc1Nc1c(C(=O)O)cnc2c(Cl)cc(Cl)cc12 5510881 QZJICBJGCNADEH-UHFFFAOYSA-N 391.210 4.990 0 40 GJAB COc1cc2sc(NC(=O)c3ccccc3Br)nc2cc1Cl 6441343 MPPLLYOTTVQSMM-UHFFFAOYSA-N 397.681 4.973 0 40 GJAB CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1 6597791 LCGGWIIKOJNVLM-UHFFFAOYSA-N 386.565 4.586 0 40 GJAB CCn1cc(C(=O)CSc2nnc(C)n2-c2ccccc2)c2ccccc21 7458965 ORVCHXGSINRNKX-UHFFFAOYSA-N 376.485 4.525 0 40 GJAB CCc1ccc(NC(=O)Cc2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)cc1 7845809 BRJZBTZCJOUDLR-UHFFFAOYSA-N 381.501 4.701 0 40 GJAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3cc(C)no3)cc12 7977811 VDBNBPLUXCGCFJ-UHFFFAOYSA-N 391.379 4.792 0 40 GJAB CC(=O)Nc1ccc(C(=O)OCc2ccc(-c3cnc4ccccc4n3)cc2)cc1 8040436 YSOSQINXGSOYMG-UHFFFAOYSA-N 397.434 4.612 0 40 GJAB COc1ccc(Cl)cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 8072100 VMZJIJZNBPUTIJ-UHFFFAOYSA-N 398.684 4.907 0 40 GJAB CC1(C)Cc2cccc(OCC(=O)N[C@H](c3ccccc3)c3cccs3)c2O1 8192930 PLMKHJUCALNXCE-OAQYLSRUSA-N 393.508 4.746 0 40 GJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1csc(-c2ccc(Cl)cc2)n1 8710619 YBDOSIZKRXIZOC-UHFFFAOYSA-N 399.903 4.552 0 40 GJAB CC(C)[C@@H]1C[C@@](CCNCc2ccc3c(c2)OCO3)(Cc2ccccc2)CCO1 9476631 YMQSMSKDVMKHQY-LOSJGSFVSA-N 395.543 4.959 0 40 GJAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCc5ccccc54)cc3)o2)cc1 9530878 WVNCVMBFYRVUNS-UHFFFAOYSA-N 381.435 4.915 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 9827840 YSKHARVUIOKJOH-UHFFFAOYSA-N 394.814 4.959 0 40 GJAB CN(C(=O)Nc1cccc(Cl)c1)[C@@H](c1ccc(Cl)cc1)c1nccn1C 12551498 JUBRWHRJKODYIM-KRWDZBQOSA-N 389.286 4.980 0 40 GJAB CCOc1cc2c(cc1NC(=O)Cc1coc3cc(CC)ccc13)O[C@@H](C)C2 12803487 YLGARRBNYHDJHT-AWEZNQCLSA-N 379.456 4.899 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)c(C)c1 13009702 SFYFTBJGTCKCFS-UHFFFAOYSA-N 398.470 4.583 0 40 GJAB Clc1ccc(C(c2ccc(Cl)cc2)N2CCN(c3ncccn3)CC2)cc1 14110740 HAAYXNHXJKQPAF-UHFFFAOYSA-N 399.325 4.695 0 40 GJAB CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3ccco3)n(CC)c2=S)cc1 14181813 OTBIVITUCNNFJB-SFHVURJKSA-N 398.532 4.887 0 40 GJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)c1 17167214 KESSAMQPVAHDEA-XDHOZWIPSA-N 394.496 4.793 0 40 GJAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C[C@H](C)c4ccccc4)C3)cc2n1 19117059 ZPDKWPRAMQISSF-WMLDXEAASA-N 388.437 4.650 0 40 GJAB Cc1ccc(CN2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)o1 19216584 YCQYFHSTOIJYJI-UHFFFAOYSA-N 391.519 4.640 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccccc1C 20039161 CQGQWELUOXBGFS-IBGZPJMESA-N 377.937 4.855 0 40 GJAB CCn1ncc2c(C(=O)Nc3cccc(C(C)=O)c3)cc(-c3ccccc3)nc21 22009482 IRKOPMZVUATTJC-UHFFFAOYSA-N 384.439 4.573 0 40 GJAB O=C(COc1ccc(C2SCCCS2)cc1)Nc1nc2c(s1)CCC2 25768478 VVCKFEOEMDKASV-UHFFFAOYSA-N 392.571 4.518 0 40 GJAB COc1ccc(C(=O)CSc2nccn2-c2cccc(Cl)c2)c(OC)c1 26047801 ODACQQSRCQAQOP-UHFFFAOYSA-N 388.876 4.518 0 40 GJAB CC(=O)c1ccccc1NC(=O)CNc1ccccc1N1CCc2ccccc2C1 26801822 FBRAAXULSJJAED-UHFFFAOYSA-N 399.494 4.503 0 40 GJAB Cc1cccc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1 28289658 YLLCGMMVAMDKNM-UHFFFAOYSA-N 384.838 4.795 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2ccsc2)c1[C@H]1C(=O)Nc2c(Cl)cccc21 32102993 LSGKSDVEUIUGAH-AWEZNQCLSA-N 386.860 4.576 0 40 GJAB COc1ccc([C@H]2N=C(c3ccc(C)cc3)[C@H]3[C@H](c4ccccc4)N23)cc1OC 34868528 LYAALMLMHYRNEQ-JEHNZNFFSA-N 384.479 4.939 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@H]1CCCC[C@@H]1C(F)(F)F 44874320 AKQKBHFLQDGQJS-RYUDHWBXSA-N 398.406 4.846 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2ccc(Cl)cc2)cs1 47476698 UPXASEUYOCRTRZ-UHFFFAOYSA-N 381.888 4.804 0 40 GJAB Cc1cccc(-c2nnc(C3(c4cccc(Br)c4)CCOCC3)o2)c1 71889904 SZODPCQTQGTCQQ-UHFFFAOYSA-N 399.288 4.904 0 40 GJAB CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1ccccn1 72314180 LOAPRMCMLZSRAS-KRWDZBQOSA-N 389.337 4.708 0 40 GJAB CCOc1cc(C(=O)NCc2ccc(C(C)C)cc2)cc(OCC)c1OCC 72331499 WRAQJFUVKFAULP-UHFFFAOYSA-N 385.504 4.936 0 40 GJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)c2c(F)cccc2Cl)C1 77200119 GBCQQOPZAJTTKW-LSDHHAIUSA-N 390.842 4.769 0 40 GJAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1ccsc1)Cc1ccco1 77200817 SQOGGOFDSBGHHD-UHFFFAOYSA-N 395.459 4.723 0 40 GJAB O=C1CCCC[C@H]1[C@H]1CCCCCN1C(=O)c1csc(Br)c1 79066557 IFTJFAAXFKZOQF-UONOGXRCSA-N 384.339 4.655 0 40 GJAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H](c3cccs3)C(C)(C)C)c12 84066673 BKHSUNAWUYIBFY-SFHVURJKSA-N 382.533 4.733 0 40 GJAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccnc(OCc2ccccc2)c1 84541234 XHEBZWBWMHCAON-IBGZPJMESA-N 394.471 4.767 0 40 GJAB C[C@H](NC(=O)CCCn1ccc2cc(Cl)ccc21)c1nc(C(C)(C)C)no1 89913620 FFBHEVVLDPFVBN-ZDUSSCGKSA-N 388.899 4.633 0 40 GJAB COC(=O)c1ccsc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 95364821 QBOFIIXFUMDCIP-UHFFFAOYSA-N 378.409 4.595 0 40 GJAB COc1cccc(-n2c(S[C@@H](C)c3ncc(C)o3)nc3ccccc3c2=O)c1 95457493 JODORYGYGZGRBM-AWEZNQCLSA-N 393.468 4.544 0 40 GJAB CC(C)[C@@H](N[C@@H](C)c1ccc(I)cc1)c1ccccn1 95968213 XRGUYVBLPUTUHF-SUMWQHHRSA-N 380.273 4.734 0 40 GJAB O=C(N1CCC(Oc2ccccn2)CC1)C1(c2ccc(Cl)cc2)CCCC1 96102834 LXZJOJMRAQUDJE-UHFFFAOYSA-N 384.907 4.617 0 40 GJAB Cc1cccc(CCCNC(=O)COc2ccc(Cl)cc2Br)c1 218856208 YDSJMUZGGPWLFU-UHFFFAOYSA-N 396.712 4.539 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219369457 JDROOIDFTNGKTL-VQTJNVASSA-N 397.515 4.888 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(C)c1 222851742 IGYNUCJGQKDKHN-CQSZACIVSA-N 375.852 4.540 0 40 GJAB Cc1c(Br)cnc(NC(=S)N[C@@H](C)c2ccccc2)c1Cl 223955897 AERJJIJULCBIQU-JTQLQIEISA-N 384.730 4.854 0 40 GJAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2C)c1 224295294 FHZCFGXEAXQFAM-LEWJYISDSA-N 376.529 4.522 0 40 GJAB COc1ccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225314311 MRROTVSRYAAMSX-UHFFFAOYSA-N 385.714 4.598 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)ccc1O[C@@H](C)CC 225808256 IJCIIZXBGAZYKS-ZMPRRUGASA-N 391.508 4.574 0 40 GJAB Cc1cc(CN(C(=O)c2ccc3nc(Cl)sc3c2)C(C)C)c(C)n1C 225985321 KAFAGPSJEJEFIZ-UHFFFAOYSA-N 375.925 4.956 0 40 GJAB COc1cc(NC(=O)/C=C/c2ccco2)ccc1NC(=O)c1ccccc1Cl 408620509 GSILCOUQZOWOLU-PKNBQFBNSA-N 396.830 4.846 0 40 GJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cccc3ccccc23)CC1=O 408641798 NBHBILLPUPTDNK-FQEVSTJZSA-N 386.495 4.956 0 40 GJAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)c1 408697565 HWJXIZSWALHUFN-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB COc1cccc(NC(=O)NCCc2ccc(-c3ccsc3)s2)c1OC 575414078 PTKNRJXHLZAHJS-UHFFFAOYSA-N 388.514 4.858 0 40 GJAB CCSc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 575611891 ZVAKWQZYQFSXPV-LJQANCHMSA-N 383.538 4.991 0 40 GJAB Cn1cc(Cl)cc1C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 1137542419 YNVMPCHPBSYGDX-GOSISDBHSA-N 377.246 4.990 0 40 GJAB Cc1ccc(CC(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)s1 1615158080 QFRQGUDZLILHBM-UZLBHIALSA-N 386.536 4.644 0 40 GJAB COc1cccc(CN2CCCC[C@@H]2C2CCN(C(=O)OCC(C)C)CC2)c1 2056226660 XHBCMUMDKIKVCW-JOCHJYFZSA-N 388.552 4.554 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)cc1 876259 QERQUNOSWYDLAM-UHFFFAOYSA-N 388.496 4.675 0 40 GJAB Cc1cc2cc(C)c(SCC(=O)Nc3ccc4c(c3)OCO4)nc2cc1C 902920 HUNGPTMQVKJQCL-UHFFFAOYSA-N 380.469 4.620 0 40 GJAB Clc1cccc(-c2cc3nc4c(c(NCc5ccncc5)n3n2)CCCC4)c1 1341720 IHYIXBKAWAITOG-UHFFFAOYSA-N 389.890 4.936 0 40 GJAB COc1ccc(-c2coc3cc(OCC(=O)c4ccccc4)ccc3c2=O)cc1 2155928 UZWRXYKNZYKZES-UHFFFAOYSA-N 386.403 4.730 0 40 GJAB biogenic Cc1cccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)c1 2257909 JXLBGRBHADPPGY-UHFFFAOYSA-N 388.471 4.667 0 40 GJAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 5395046 YFJOPPZXBBTQIU-UHFFFAOYSA-N 390.914 4.821 0 40 GJAB COc1cccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1 6157295 KZMYMWGVJQNOLP-HNNXBMFYSA-N 396.516 4.519 0 40 GJAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 6356060 STEUGUDCLGDMGA-REWPJTCUSA-N 381.560 4.895 0 40 GJAB CCOc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c2ccccc12 6961887 GGMQFJRNEPDMEK-KGENOOAVSA-N 386.451 4.640 0 40 GJAB Cc1cccc(-c2nnc(CSc3nnc(C4CC4)n3-c3ccccc3)o2)c1 7229843 UEBJCYFKWCFMCO-UHFFFAOYSA-N 389.484 4.795 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3ccc4c(c3)CCC4)n2)cc1 7784239 XLCZWXOZLYURRM-AWEZNQCLSA-N 377.513 4.886 0 40 GJAB CC(C)c1ccc(C(=O)Cn2cc(Br)ccc2=O)c(C(C)C)c1 7975215 WWPRDSAXJXRYBG-UHFFFAOYSA-N 376.294 4.741 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 8049939 FNVXZSICRNDCFA-UHFFFAOYSA-N 380.488 4.789 0 40 GJAB CCc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)C(C(=O)OC)=C2C)cc1 8085672 YVRZVORJSDCICZ-AQTBWJFISA-N 381.859 4.780 0 40 GJAB O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8156143 UCFMYOCJQOGLQQ-MRXNPFEDSA-N 383.831 4.835 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1 8156681 BIGBEURFKCNGIY-QFIPXVFZSA-N 389.886 4.675 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C)ccc3C)c2)cc1 8180686 XUNNIRJMUIXPSH-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1C 8434554 XSIWBSCCTYQZCN-UHFFFAOYSA-N 388.423 4.506 0 40 GJAB CCN(CC)c1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1 9622875 RAXHQDRLDAEDOT-UHFFFAOYSA-N 376.439 4.544 0 40 GJAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccccc1)OCCO3 10465773 ODSIPGYRWLGPEG-MRXNPFEDSA-N 378.472 4.878 0 40 GJAB COc1ccc(C(=O)C2CCN(Cn3c(=S)oc4ccccc43)CC2)cc1 12544191 KLLVWKDDQFWWRA-UHFFFAOYSA-N 382.485 4.525 0 40 GJAB CC1(C)CC(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC(C)(C)N1 12745099 CIEDBESMIOYOJT-HXUWFJFHSA-N 382.573 4.945 0 40 GJAB CC(=O)c1ccc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)cc1 12899317 HDMKLWJEDWMLNK-UHFFFAOYSA-N 382.510 4.783 0 40 GJAB O=c1[nH]ncc(NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1Cl 12904850 NCUKODJOULJGCO-AWEZNQCLSA-N 399.281 4.802 0 40 GJAB COc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)ccc1OC(C)C 12939470 FBFGSNFIAGSXRP-CYBMUJFWSA-N 392.293 4.736 0 40 GJAB O=C(Nc1nnc(-c2ccccc2)s1)c1cc(C2CC2)nn1-c1ccccc1 12975271 IZTGDMKBGMUJDH-UHFFFAOYSA-N 387.468 4.521 0 40 GJAB C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(C(F)(F)F)c1 14808470 OTRSECPDOYTMEK-SNVBAGLBSA-N 392.299 4.533 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)cc1 15352500 VBLCLQHFKJLDGX-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc([C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1 19933498 AGIXETWFGAHLOW-AWEZNQCLSA-N 378.335 4.868 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 20050839 WYRVUZPWDNMFST-QFIPXVFZSA-N 388.467 4.763 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2CC)cc1OCC 20489837 WWPFNWZGZMWMOV-DLBZAZTESA-N 385.504 4.691 0 40 GJAB Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 21657889 JZWNTAIZDCFSML-UHFFFAOYSA-N 381.863 4.740 0 40 GJAB Cc1ccc(-c2nnc([C@@H](C)N3CCN(Cc4cccc(Cl)c4)CC3)o2)cc1 22025280 ISJXCTZHVQJFFJ-QGZVFWFLSA-N 396.922 4.577 0 40 GJAB O=C(c1cc2ccccc2[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22089791 ADXXNJXGKIIVLO-UHFFFAOYSA-N 395.506 4.715 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(CSC(F)F)o2)c(OC)c1 30625580 FBBAUDOVHFAUPU-OAHLLOKOSA-N 397.443 4.730 0 40 GJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)c3ccccc3)n2CC)cc1 33693906 ICGWZAYIYRXILK-MRXNPFEDSA-N 395.528 4.975 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2oc(C(C)C)nc2c1 40081695 BMRFZBDPLPXRSN-HXUWFJFHSA-N 389.455 4.854 0 40 GJAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(SCc2cccnc2)cc1 47189280 TWHCPDGOMUETSK-LAUBAEHRSA-N 384.545 4.699 0 40 GJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cccc(F)c1F)NC2 55008571 RRXBRLCQWPRPLA-JOCHJYFZSA-N 384.426 4.746 0 40 GJAB C[C@@H]1CNC(=O)N1c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 58249773 VMNPABPWKSONSW-WAFBPQNNSA-N 390.270 4.563 0 40 GJAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1C 67293192 LJFJPPLLCDLVFE-BZZOAKBMSA-N 385.423 4.635 0 40 GJAB Cc1ccc(C)c(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c1 67297844 VFUINSOVWSIBPV-LCUIJRPUSA-N 399.450 4.943 0 40 GJAB CN(C)CCOc1ccc([C@H](c2ccccc2)[C@@H](CCO)c2ccccc2)cc1 71625198 LSBUBGBAISEBHG-UIOOFZCWSA-N 389.539 4.925 0 40 GJAB CCn1nccc1/C=C1\C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 71785064 WJBPXFYDIOPTIY-SNKUEBRLSA-N 378.516 4.519 0 40 GJAB O=C(Cc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72358635 FQIXGNZEJKTYTQ-IBGZPJMESA-N 391.902 4.746 0 40 GJAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(-c3ncco3)c2)c2c1CCC2 89700340 BHPIZMNSYMXCLL-UHFFFAOYSA-N 384.439 4.577 0 40 GJAB CC[C@H](C)N(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)[C@H](C)CC 95997612 ZIMFJLJVHHJFTQ-CALCHBBNSA-N 391.515 4.733 0 40 GJAB Fc1ccc(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)cc1 96038175 HIDLUSVLMYMDTL-UHFFFAOYSA-N 386.474 4.915 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cnn(C4CCOCC4)c3C)n2)c(C)c1 97032302 VEWOIDSZPUDWGD-UHFFFAOYSA-N 396.516 4.536 0 40 GJAB Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2C[C@@H]3CC[C@@H](C2)N3C)c1 100539917 PYLSWXYTNIMYDR-GOTSBHOMSA-N 376.544 4.614 0 40 GJAB Cc1cccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 218884378 ANPNLMUUZTWIRR-UHFFFAOYSA-N 390.321 4.750 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)c1 223027646 MRBCOTMIHDIBJP-IBGZPJMESA-N 389.879 4.930 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 223077472 GZXIMFSKFJQEIZ-OAHLLOKOSA-N 390.321 4.885 0 40 GJAB CCCSc1nnc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)s1 223502137 FPBADLLAYPZQRT-CQSZACIVSA-N 390.578 4.524 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)cc1 223638060 XNECNOOJYVDOIT-UHFFFAOYSA-N 397.496 4.508 0 40 GJAB CC(C)(C)c1ccc(OCCNC(=O)COc2ccccc2C(C)(C)C)cc1 223658140 FYEBPWPLQFPNHF-UHFFFAOYSA-N 383.532 4.856 0 40 GJAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223756698 LDXKCKAGJKSYFP-MWTRTKDXSA-N 379.500 4.535 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 224598687 KDSJZYOPDAXMHD-UXHICEINSA-N 392.528 4.521 0 40 GJAB CCN(c1ccccc1Br)S(=O)(=O)c1ccc2ccccc2c1 225050495 WOXXOACEMRPCCH-UHFFFAOYSA-N 390.302 4.818 0 40 GJAB CCCC(=O)N1CCS/C1=C/c1csc(Nc2ccc(OC)cc2)n1 225251785 ZTOSSJCZPXKEIJ-GZTJUZNOSA-N 375.519 4.569 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccccc1 225458533 QMEKXENIAGVFTR-GHTZIAJQSA-N 398.572 4.501 0 40 GJAB CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OC)ccc1OCC 225798334 VKWJMYNYHPTLAU-UHFFFAOYSA-N 393.524 4.678 0 40 GJAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)CC(C)(C)O2 225813967 MWPXVILOXGRKBS-KRWDZBQOSA-N 393.405 4.811 0 40 GJAB CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(-n3cccn3)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257283421 OYFSECWNCRJAQP-PGDPNNLMSA-N 395.547 4.669 0 40 GJAB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 408650461 BIVNDOYJMHSUIY-NRFANRHFSA-N 385.463 4.544 0 40 GJAB Cn1cc([C@@H]2CN(C(=O)c3ccc(-c4cccs4)cc3)Cc3ccccc32)cn1 575619625 NTGFCMULKUSSMO-QFIPXVFZSA-N 399.519 4.937 0 40 GJAB CC(C)(C)c1cc(Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)nc(C(C)(C)C)n1 1651356798 JEMXCPBBQBRKHT-KRWDZBQOSA-N 396.535 4.933 0 40 GJAB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccccc4)sc3n2)cc1OC 658710 OOFCQNJJNJMURV-UHFFFAOYSA-N 390.464 4.794 0 40 GJAB CN(C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)C1CCCCC1 901968 XXXNVADNJUWBDE-UHFFFAOYSA-N 399.438 4.639 0 40 GJAB CCOc1ccc(Nc2nc(NCCC3=CCCCC3)nc(OCC)n2)cc1 903313 OELZMZJHALZKMT-UHFFFAOYSA-N 383.496 4.715 0 40 GJAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cccc(Cl)c1 2448889 UCLGVSQBSAABGM-UHFFFAOYSA-N 387.892 4.602 0 40 GJAB CCCCc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)cc1 2466899 YSVUYBFTZUXTOT-UHFFFAOYSA-N 391.496 4.813 0 40 GJAB COc1ccc(Oc2nc3ccccc3c3nnc(-c4ccccc4F)n23)cc1 3063642 NVFDSULLRHMJQU-UHFFFAOYSA-N 386.386 4.885 0 40 GJAB CCc1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 3238786 JGQCYXDTOKVEGV-UHFFFAOYSA-N 385.891 4.896 0 40 GJAB Cc1ccc(NC(=O)COC(=O)CCSc2ccc(Cl)cc2)cc1C 3338741 JWRSDHAJZISJDI-UHFFFAOYSA-N 377.893 4.621 0 40 GJAB CCc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccc(Cl)cc3)C2)cc1 4009232 GMHJRNXTYLHMIS-HXUWFJFHSA-N 398.890 4.835 0 40 GJAB COc1ccc(-c2nsc(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 4167533 QMAGPVCGFABYTM-UHFFFAOYSA-N 391.905 4.598 0 40 GJAB COc1ccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)cc1OC 4176268 NGRJRSHUEMAHQK-UHFFFAOYSA-N 390.464 4.818 0 40 GJAB CCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(CC)ccc21 4193416 ZSPZAQBURSNKOB-UHFFFAOYSA-N 383.513 4.505 0 40 GJAB Cc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2ccncc2)cc1C 4491091 HNDAABHKASQCNL-LJQANCHMSA-N 378.501 4.550 0 40 GJAB CC(=O)c1c(O)nc2c(C(=O)c3ccccc3)ccc3c2c1-c1ccccc1C3=O 4945025 WBOKQBADWJPHNP-UHFFFAOYSA-N 393.398 4.585 0 40 GJAB CCSc1nnc2c(n1)O[C@@H](/C(C)=C\c1ccccc1)Nc1ccccc1-2 5327664 YWNVGUUTGTWJPW-QQBSYFJQSA-N 376.485 4.885 0 40 GJAB CCc1cccc(NC(=O)COC(=O)c2ccc(C3SCCS3)cc2)c1 5584493 VERCGESTHFOJHX-UHFFFAOYSA-N 387.526 4.523 0 40 GJAB CC(C)OC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 5727318 UCCPWHWHWDECIP-UHFFFAOYSA-N 382.243 4.576 0 40 GJAB CCCCSc1nnc2nc3c(c(O)n12)C1(CCCC1)Cc1ccccc1-3 6072811 PWNOXKWORSPIGK-UHFFFAOYSA-N 380.517 4.757 0 40 GJAB CC(C)c1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 6365087 SMCSIBQNMUDGOH-UHFFFAOYSA-N 384.435 4.863 0 40 GJAB Cc1ncsc1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 6527619 OIZJCHPDEZKCGO-INIZCTEOSA-N 385.876 4.618 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@H]3CCCC[C@H]3C)c2n1 6547132 URMJRJFLOISXIV-BZNIZROVSA-N 381.303 4.924 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2cccc(O)c2)cc1OCC 6779019 HFJOOVMQPYZOIH-UHFFFAOYSA-N 394.265 4.595 0 40 GJAB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)NC2CCCC2)c1C 6961486 XBDYOTGLQPKDSC-BOPFTXTBSA-N 397.906 4.722 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7882502 GVYBGOTVPHPIIG-HNNXBMFYSA-N 398.384 4.850 0 40 GJAB Cc1sc2nc(CSc3ccccc3)nc(N3CCCN(C)CC3)c2c1C 8178090 GKHBNIUPOGTXPE-UHFFFAOYSA-N 398.601 4.742 0 40 GJAB COc1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2ccccn2)cc1OC 8586645 KRIJFZFIEIAJHE-UHFFFAOYSA-N 397.862 4.991 0 40 GJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NC12CC3CC(CC(C3)C1)C2 8727387 ZAKYWGNFJTVMJK-UHFFFAOYSA-N 386.442 4.637 0 40 GJAB Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(Cl)cn4)c(C)c3cc12 9340766 FRESKPWAMNDIIY-UHFFFAOYSA-N 396.830 4.776 0 40 GJAB COc1ccc(C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1Cl 9420097 PYNOEWURNZKMDP-UHFFFAOYSA-N 383.835 4.530 0 40 GJAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)sc2n1 9898108 ZUWZYGVOMVTYER-UHFFFAOYSA-N 379.485 4.822 0 40 GJAB Cc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1ccccc1)C3 10156906 HNNOAFBFMYCMKK-INIZCTEOSA-N 388.858 4.666 0 40 GJAB Cc1nn2c(C)c(C(=O)Nc3ccc(Cl)cc3)cnc2c1-c1ccccc1 10385215 XBNQOIMCKHLQQV-UHFFFAOYSA-N 376.847 4.919 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 12749419 WJKBXKSBKIQKMR-NRFANRHFSA-N 380.488 4.844 0 40 GJAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ccccc1F 12995308 KJYQOUFZPZJSGL-UHFFFAOYSA-N 390.867 4.753 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 13671278 CFGGAGSAWKBORS-GOSISDBHSA-N 383.532 4.899 0 40 GJAB COc1ccc(-c2nnc3sc(-c4ccc5ccccc5c4)nn23)cc1OC 13956924 UUSPFMRAONMQTN-UHFFFAOYSA-N 388.452 4.690 0 40 GJAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCCCCC2)cc1 14121958 MXKKBTNHHZLWEL-UHFFFAOYSA-N 389.499 4.623 0 40 GJAB CN(C(=O)COc1ccc(F)cc1)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835545 AFZNMIWQLZFBKP-QFIPXVFZSA-N 394.471 4.995 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCCCCC3)o2)cc1 19354954 PAOIASYJLJJHHM-UHFFFAOYSA-N 387.549 4.919 0 40 GJAB COCCCN(Cc1ccccn1)Cc1c(C2CCCC2)[nH]c2ncccc12 19593273 FNHSWXMUYQCBGH-UHFFFAOYSA-N 378.520 4.654 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1C 20144024 OPQDZYPSUWIGKY-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2Br)cc1OC 20452330 VQTFEQCFVBVEQT-LLVKDONJSA-N 396.306 4.586 0 40 GJAB Fc1ccc([C@@H]2N=C(Nc3ccccc3)c3cnn(-c4ccccc4)c3N2)cc1 20799583 DFSGSVMBVNBFBR-OAQYLSRUSA-N 383.430 4.994 0 40 GJAB Clc1ccc(N2CN(C[C@H]3CCCO3)CN=C2c2ccccc2)cc1Cl 22609116 URXRKHBZOOZWBQ-QGZVFWFLSA-N 390.314 4.656 0 40 GJAB COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)c2nc(C(C)(C)C)no2)n1 24045752 ADTYHPPQBQZLSZ-VIFPVBQESA-N 393.900 4.668 0 40 GJAB O=C(Nc1ccc(-n2cc(Br)cn2)cc1)Nc1ccccc1Cl 27917992 AOHXMIOTQIVSKZ-UHFFFAOYSA-N 391.656 4.932 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1Cl 30854182 XARLHNKAMFWZAB-SFHVURJKSA-N 375.852 4.621 0 40 GJAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(Cl)cc1 32095835 MIHXJJVTNJZUJO-INIZCTEOSA-N 398.825 4.823 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1N1CCCCC1 32747544 VTXIQCRPLJHHCI-UHFFFAOYSA-N 378.501 4.756 0 40 GJAB c1cc(-c2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cs2)cs1 32759271 GILSRRJIDUEBKX-QGZVFWFLSA-N 384.526 4.980 0 40 GJAB O=C(Nc1ccccc1NC(=O)c1ccc(Br)o1)c1ccsc1 38490126 MIYNJQFCOUHLAH-UHFFFAOYSA-N 391.246 4.608 0 40 GJAB Nc1c(Cl)cc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1Cl 41819320 CPQGGHUAEGABSY-UHFFFAOYSA-N 396.221 4.720 0 40 GJAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1cccc(CN2CCCC2=O)c1 44488551 XSLXRLLTXMJESO-QGZVFWFLSA-N 394.515 4.513 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Nc3cc(OCC)ccc3OCC)n[nH]2)cc1 51315428 WXRRRHUFXVJUBH-UHFFFAOYSA-N 395.459 4.525 0 40 GJAB O=C(Nc1ccc(OC(F)F)c2ncccc12)c1ccc(-c2cnco2)cc1 65859846 YHDCMZROHWVKDP-UHFFFAOYSA-N 381.338 4.744 0 40 GJAB O=C(c1ccc(Cl)s1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635405 LLKSXKNHQBNQSM-LBPRGKRZSA-N 375.799 4.634 0 40 GJAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(F)c(Cl)c2)o1 71280880 VWIAOCAHANRGAH-LLVKDONJSA-N 389.814 4.933 0 40 GJAB O=C(COc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72357780 RGSHRFMKPVTCHC-HSZRJFAPSA-N 390.458 4.554 0 40 GJAB COc1cc(C)ccc1CN1CCC[C@@H]1c1cncc(Nc2ncccc2C)n1 72376391 NHBZVIWOJAHQSJ-HXUWFJFHSA-N 389.503 4.578 0 40 GJAB Cc1ccc(NC(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc1F 77197434 FCVSNVPTDYQSLZ-UHFFFAOYSA-N 395.438 4.560 0 40 GJAB CN(C)C(=O)Sc1cccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 79053329 WARHZIAFRUAFCI-LJQANCHMSA-N 390.936 4.687 0 40 GJAB CC(=O)c1sc(NC(=O)c2c(F)c(F)cc(F)c2F)nc1-c1ccccc1 95963529 KOBXPMHRBXZRCI-UHFFFAOYSA-N 394.349 4.821 0 40 GJAB Cc1nc(Cl)sc1C(=O)Nc1ncccc1OCc1cccc(Cl)c1 95963553 CZHKWSXZMXBDCX-UHFFFAOYSA-N 394.283 4.985 0 40 GJAB Cc1cccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn23)c1 96155257 RVPKKPDJUCUNPM-UHFFFAOYSA-N 393.450 4.748 0 40 GJAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccc(Br)cc1 96759124 HFARJAOCSPAVBK-FMIVXFBMSA-N 387.664 4.757 0 40 GJAB Cc1nnc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)s1 103112443 XPGSLRDLPPRULZ-QBFSEMIESA-N 388.452 4.727 0 40 GJAB CCn1ccnc1-c1cccc(NC(=O)c2c(F)cccc2Br)c1 157166108 JWBCJMMNULMXAH-UHFFFAOYSA-N 388.240 4.724 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219322074 IRDCNQWKKRDTQR-IAGOWNOFSA-N 391.895 4.782 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)COc1ccc(C)cc1 219348791 HVZUMWSJOJVXEQ-JPYJTQIMSA-N 377.484 4.889 0 40 GJAB Cc1nc(NC(=S)N[C@H](C)c2ccccc2)c(Cl)cc1Br 223954874 KQSXEPPOFMMITI-SECBINFHSA-N 384.730 4.854 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C)c(Cl)c1 224169661 GMXVCLLXZPKWFX-GOSISDBHSA-N 382.287 4.654 0 40 GJAB CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(CN2CCCCC2)cc1 224534798 DRCMFKNBEYBAQE-UHFFFAOYSA-N 394.559 4.665 0 40 GJAB COC(=O)c1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)ccc1Cl 224974687 APKUPUQBYBLXQN-UHFFFAOYSA-N 379.843 4.975 0 40 GJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1cccc(C(F)(F)F)c1 225761060 TYKMIUNMCSMYBS-CQSZACIVSA-N 377.406 4.668 0 40 GJAB COC1CN(c2ccc(NC(=O)c3cccc(Oc4ccc(F)cc4)c3)cc2)C1 245171657 XOPCMSQYUISOHW-UHFFFAOYSA-N 392.430 4.705 0 40 GJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)S1 260772077 MIPCOLXPXWDSPF-UPRAQXHNSA-N 395.919 4.510 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2ccc(OCc3ccncc3)cc2)cc1 519125263 BQGLXXFCKFUHBK-UHFFFAOYSA-N 376.456 4.802 0 40 GJAB COc1cccc(CN2CCCCCCN(C(C)=O)c3ccccc3C2)c1OC 643563308 OCYIVBRLGKQOGE-UHFFFAOYSA-N 396.531 4.633 0 40 GJAB CC[C@H](C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(OC)cc1 678830311 RSHGSHUAUQLSJF-INIZCTEOSA-N 387.386 4.815 0 40 GJAB O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(-c2ccco2)s1 1138233928 PTQOXTDSOOFCEW-UNMCSNQZSA-N 399.487 4.651 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1-c1ncc[nH]1 1161419632 JUHMSINISYYZSN-UHFFFAOYSA-N 392.846 4.624 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)Cc2cccc(F)c2)N1c1ccc(F)cc1 1615154317 FDUJQXCMTNWJCH-SFTDATJTSA-N 384.470 4.556 0 40 GJAB O=C(N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccs1 677111 GPPKVFDJYJZZFE-LBPRGKRZSA-N 384.115 4.940 0 40 GJAB O=C(Oc1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 677183 SZRBNJJPRBUSPF-UHFFFAOYSA-N 393.398 4.860 0 40 GJAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1OC 1934602 YMVAUDYVCAEWCO-CSKARUKUSA-N 390.277 4.898 0 40 GJAB COc1ccc(/C=C/C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)c(OC)c1 2286839 UNDPRACVXRBRIM-YRNVUSSQSA-N 379.456 4.930 0 40 GJAB Cc1ccccc1CSC1=NCCN1C(=O)c1ccccc1Br 4120025 ZYZAXCLVOOBPHA-UHFFFAOYSA-N 389.318 4.503 0 40 GJAB CC1CCN(Cn2nc(-c3cccc(F)c3)n(-c3ccccc3)c2=S)CC1 4320377 UUDCFBLAEUBLIT-UHFFFAOYSA-N 382.508 4.899 0 40 GJAB COc1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CCCC4)cc1 4367697 YGMJAEZZWWSJJM-GFCCVEGCSA-N 399.541 4.698 0 40 GJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cc2ccccc2c(=O)o1 4540192 CNGUKUBJDGRBCU-UHFFFAOYSA-N 396.855 4.746 0 40 GJAB COc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc(Cl)c1O 4571675 CVPDIKIIJDGDON-PWJLMRLQSA-N 378.881 4.669 0 40 GJAB O=C(CCSc1nc(-c2ccc(Br)cc2)cs1)N1CCCC1 4668938 WRTZCWYJQUCDLM-UHFFFAOYSA-N 397.363 4.677 0 40 GJAB Cc1ccc(-c2c(NC(=O)c3ccc(F)cc3)n(C)c3ccccc3c2=O)cc1 5489204 VBUWUGBFKWCWNP-UHFFFAOYSA-N 386.426 4.905 0 40 GJAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(Cl)c1Cl 5861697 IRVYRRWSCKHLAJ-UHFFFAOYSA-N 380.271 4.587 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)nc3sc4c(c23)CCC4)c1C 6113895 VKFQIVNFLIWXFR-UHFFFAOYSA-N 399.541 4.611 0 40 GJAB O=c1c2ccccc2nc(SCCOc2ccccc2)n1Cc1ccccc1 6228802 IGHRWLXAVPVGJT-UHFFFAOYSA-N 388.492 4.616 0 40 GJAB O=C(Nc1cccc(C(=O)OCC(=O)c2ccccc2Cl)c1)c1ccccc1 6595393 ZIIGBWDDJBTINA-UHFFFAOYSA-N 393.826 4.632 0 40 GJAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cc2c(s1)CCC2 6657582 GIDYNKQSEKGUAB-LJQANCHMSA-N 387.508 4.827 0 40 GJAB CN(C)c1ccc(/C=C2/SC(Nc3ccc(F)c(Cl)c3)=NC2=O)cc1 6871465 SBOSPINXNRCJOL-CXUHLZMHSA-N 375.856 4.628 0 40 GJAB Cc1cc(NC(=O)[C@H](C)Sc2ncnc3sc(-c4ccccc4)cc23)no1 7297216 SCIVWXZSQVYOOW-LBPRGKRZSA-N 396.497 4.774 0 40 GJAB Cc1nc(-c2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2)cs1 7438345 OKZVUCDGHFVXFW-UHFFFAOYSA-N 396.497 4.801 0 40 GJAB O=C(CSc1nnc(NC2CC2)s1)Nc1ccccc1Oc1ccccc1 7577351 YDPYVIAORXGCKH-UHFFFAOYSA-N 398.513 4.636 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 7599182 WIVPPABRFZLXMW-UHFFFAOYSA-N 380.425 4.826 0 40 GJAB C[C@@H]1C[C@@H](Sc2ncc(-c3ccc(F)cc3)n2Cc2ccccc2)C(=O)O1 8215892 ZZZAJMWAJMCLCB-AUUYWEPGSA-N 382.460 4.534 0 40 GJAB CCOc1ccc(C(=O)Nc2cccc3ccc(C)nc23)cc1Br 9426111 DKIZZEFWMLZHDZ-UHFFFAOYSA-N 385.261 4.957 0 40 GJAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)C3CCCCC3)ccc2o1 9660071 YDHRRKNSIKPPGE-UHFFFAOYSA-N 377.440 4.987 0 40 GJAB biogenic Cc1cc(C)c2nc(Nc3nc(-c4ccccc4Cl)cc(=O)[nH]3)nc(C)c2c1 10157421 VSRCLIBLUJIXRD-UHFFFAOYSA-N 391.862 4.702 0 40 GJAB O=C(c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2nccnc2c1 11692689 ZUMBCVREGBSWRD-QHCPKHFHSA-N 396.425 4.760 0 40 GJAB Cc1ccc2nc(NC(=O)c3cc(O)c(OCc4ccccc4)cn3)sc2c1 12168493 NZMYZXNFJXHQGM-UHFFFAOYSA-N 391.452 4.537 0 40 GJAB CCOc1ccccc1NC(=O)CCn1c(-c2ccncc2)cc2cccnc21 12222217 PDEVTTZRCRTKAO-UHFFFAOYSA-N 386.455 4.526 0 40 GJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1oc2ccc(F)cc2c1C 12784355 DCZMFODIAAJOLT-UHFFFAOYSA-N 383.379 4.576 0 40 GJAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)Cc2ccccc2Cl)CC1 13266878 RWGMEXFBACSPNI-UHFFFAOYSA-N 398.915 4.614 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13685427 RIEBTQISQCVLCW-IAGOWNOFSA-N 390.483 4.774 0 40 GJAB O=C(Cc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 13691684 NKYGAFJVWZEHOQ-XMMPIXPASA-N 392.462 4.550 0 40 GJAB Cc1ccnc(-n2cccc2CN(CCc2ccccc2)Cc2ccncc2)c1 19238216 GANKSMYXOVLWDF-UHFFFAOYSA-N 382.511 4.821 0 40 GJAB O=C(Cc1cccs1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19343169 LMXFXDPIKOBNFN-UHFFFAOYSA-N 393.434 4.592 0 40 GJAB Fc1ccc(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19815158 UBBDOQMCEIIYLD-UHFFFAOYSA-N 390.502 4.612 0 40 GJAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 27824445 YSNIWDWXGBYDJA-HUUCEWRRSA-N 387.973 4.884 0 40 GJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccc(F)c(F)c1 32609702 ZNPJSYTYXYNYRX-UHFFFAOYSA-N 382.197 4.769 0 40 GJAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3c(C)cc(C)cc3Cl)on2)cc1 32912281 RSNXIFSDKNIJEB-UHFFFAOYSA-N 398.846 4.716 0 40 GJAB O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1nc2ccccc2s1 38754713 ISTBZEXIARZRDW-UHFFFAOYSA-N 375.409 4.628 0 40 GJAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2Br)cc1 40001127 IGAZVIPKPVKHCK-CYBMUJFWSA-N 377.282 4.595 0 40 GJAB C[C@@H]1C[C@@H](OC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C(=O)O1 40012293 BJHLYRQLSPNXTM-BDJLRTHQSA-N 393.411 4.606 0 40 GJAB COc1cc(NC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 43170535 HVRSLOVMQSWVNY-SNVBAGLBSA-N 399.274 4.902 0 40 GJAB CCOc1ccc(CCC(=O)NCc2cccc(OC(C)C)c2)cc1OCC 44884404 FBHVFYWXNCMWEY-UHFFFAOYSA-N 385.504 4.520 0 40 GJAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079071 QBUFIHCCJRAPOH-UHFFFAOYSA-N 392.405 4.810 0 40 GJAB O=C(NCC1(c2ccc(F)cc2)CC1)c1cc(-c2cccnc2)nc2ccccc12 48300423 GQYXWTAVBMKBRA-UHFFFAOYSA-N 397.453 4.898 0 40 GJAB O=C(CCc1ccccc1F)Nc1ccc(NC(=O)N2CCCCCC2)cc1 58157084 CVDLCTRBFNTMBS-UHFFFAOYSA-N 383.467 4.805 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1C 59351232 DCVVUMYZGZYLQL-HUUCEWRRSA-N 376.294 4.711 0 40 GJAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@H]3c2ccccc2Cl)cc1 95476905 RPZMZKQQAIJCCI-KRWDZBQOSA-N 399.859 4.648 0 40 GJAB FC(F)(F)c1ccc(CNc2ncc(-c3cnccn3)c(-c3ccco3)n2)cc1 105743915 SCRURZFPXCXFGS-UHFFFAOYSA-N 397.360 4.825 0 40 GJAB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2cccnc12 107128809 RKJLLMFIZYFYKF-UHFFFAOYSA-N 396.874 4.584 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)cn3)N21 222675306 XNWDHBFYXRAQGP-TYCQWZJGSA-N 389.528 4.555 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1 224068811 RUTQZCRQIKHTOY-UHFFFAOYSA-N 382.391 4.690 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)c1 224252539 TZSZPYOUFPDNIL-UHFFFAOYSA-N 399.878 4.517 0 40 GJAB CC(C)(C)c1ccc(CCC(=O)NCc2ccccc2CN2CCCC2)cc1 224776046 PEDSWMMXAIWJDN-UHFFFAOYSA-N 378.560 4.829 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3SC)o2)c(OC)c1 224872009 ZXNKCGKUFDTQOR-UHFFFAOYSA-N 398.484 4.652 0 40 GJAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCCC1 224929796 RIIGFQMZWDNQFY-CYBMUJFWSA-N 385.335 4.569 0 40 GJAB Cc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)nc1 225366417 HHXIBDUIASNRJX-UHFFFAOYSA-N 386.373 4.917 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H](O)c1csc2ccccc12 225693619 MTVWLKQCZQWVKO-QFIPXVFZSA-N 387.504 4.961 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(C)c(C)c1 225711763 OLLAZQCTZUNAJO-FQEVSTJZSA-N 381.545 4.868 0 40 GJAB S=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(Cl)cc1 225832555 BRNKVZLUXWYMLK-UHFFFAOYSA-N 379.272 4.530 0 40 GJAB COc1ccc(C(=O)Nc2cc(N3[C@H](C)CCC[C@H]3C)c(C)cc2N)cc1OC 226331431 BZUARQQNBUEWMX-HZPDHXFCSA-N 397.519 4.614 0 40 GJAB Cc1cc(Br)ccc1-c1ccc(C(=O)Nc2cc(N)ccc2F)o1 226763985 BRASXVHSHPEYCL-UHFFFAOYSA-N 389.224 4.991 0 40 GJAB Cc1cncc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257270546 MUROBUVQWVHVGF-FQEVSTJZSA-N 387.483 4.530 0 40 GJAB FC(F)(F)c1c2c(nc3cc(-c4cccc(Br)c4)nn13)CCC2 408894488 QREVAVVQMCHKHY-UHFFFAOYSA-N 382.183 4.666 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1c(F)cccc1Cl 575609580 DMEWZQYMRXOLFG-ZDUSSCGKSA-N 381.881 4.733 0 40 GJAB Cc1cc(F)ccc1CC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615121021 LXSOPMSEHIKMCA-VXKWHMMOSA-N 398.497 4.864 0 40 GJAB CCC(O)(CC)C(C)(C)CNC(=O)NCC1(c2ccc(C)cc2C)CCCC1 1673172675 REVCOACTOVYEEW-UHFFFAOYSA-N 388.596 4.992 0 40 GJAB O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 1456746 KMMLPFIOBFQPRL-UHFFFAOYSA-N 390.527 4.608 0 40 GJAB Cc1cc(-c2csc(NC(=O)/C=C/c3ccco3)n2)c(C)n1C[C@@H]1CCCO1 2651296 XFIWOSUPYYZPOE-OZSKJFCKSA-N 397.500 4.652 0 40 GJAB O=C(CSc1nccn1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 2723004 YVMXSRLTHGZECE-UHFFFAOYSA-N 377.391 4.622 0 40 GJAB COc1ccccc1C(=O)N[C@@H](Nc1ccccc1C)C(Cl)(Cl)Cl 3014734 VYBIOICNNGVIIQ-MRXNPFEDSA-N 387.694 4.542 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](Sc1nnc(C)s1)c1ccccc1 3389075 XBTXIGDFBVTUOK-QGZVFWFLSA-N 385.514 4.717 0 40 GJAB Cc1ccc(NC(=O)Cc2ccc(Br)cc2)c(Br)c1 3603729 UYTMTNQALLRXSZ-UHFFFAOYSA-N 383.083 4.701 0 40 GJAB Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2nc3ccccc3s2)c(O)c1 4126006 ZLWKGVVKQABHES-UHFFFAOYSA-N 377.347 4.783 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1 4687159 QBFYKDJUGOTMML-UHFFFAOYSA-N 380.576 4.711 0 40 GJAB CCOc1cccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)c1 4703950 GLTFYPHSAAUDRV-UHFFFAOYSA-N 388.492 4.783 0 40 GJAB CCCCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 4855418 OKDYAWYXHDKUED-UHFFFAOYSA-N 384.501 4.829 0 40 GJAB COc1cccc2cc(C(=O)N(Cc3cccs3)C3CCCCC3)c(=O)oc12 4936081 NEKJDCRMZDBBBL-UHFFFAOYSA-N 397.496 4.838 0 40 GJAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4)nc3c1[C@@H]2c1ccccc1 5149807 IRKYVELXCPASLO-HXUWFJFHSA-N 392.418 4.783 0 40 GJAB Oc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 5343349 QBWDBJUXCJVAII-UHFFFAOYSA-N 399.166 4.936 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2F)c2c(C)c(C)sc2n1 5428946 UDLOSANGBPWTNG-NSHDSACASA-N 375.494 4.875 0 40 GJAB CC(C)[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCCO2 5453076 KWGAPHOMSCHXCQ-LJQANCHMSA-N 391.414 4.576 0 40 GJAB C[C@@H](NC(=O)CSc1ncnc2sccc12)C12CC3CC(CC(C3)C1)C2 6083363 OFZONIUTVYGVRV-JSFDKUKPSA-N 387.574 4.505 0 40 GJAB CNc1nnc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)s1 7102865 FLBIHQXFWOPDFR-UHFFFAOYSA-N 379.514 4.725 0 40 GJAB C[C@@H]1CCN(C(=O)CSc2nc3ccccc3n2C)c2ccccc2S1 7191921 AKWXGYRLIWGQFC-CQSZACIVSA-N 383.542 4.583 0 40 GJAB CCn1c(S[C@H](C)C(=O)N(C(C)C)C(C)C)nnc1-c1ccc(Cl)cc1 7258547 DRHUXZCQCBCGPG-CQSZACIVSA-N 394.972 4.744 0 40 GJAB Cc1cc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)no1 7831526 FRAMNYKQHHBFFK-UHFFFAOYSA-N 386.864 4.829 0 40 GJAB CC(=O)N(c1nc(COC(=O)c2ccoc2C)cs1)c1ccc(C)cc1C 7851016 APMNZTQQFOHNHQ-UHFFFAOYSA-N 384.457 4.703 0 40 GJAB O=C(CSc1nc2ccccc2o1)N(Cc1ccccc1)Cc1ccco1 7883708 OWQWDAFOLQPCFJ-UHFFFAOYSA-N 378.453 4.742 0 40 GJAB COc1ccc2nc(NC(=O)c3sc(-c4ccccc4)nc3C)sc2c1 7996111 XKQQFVSNAGIMCP-UHFFFAOYSA-N 381.482 4.989 0 40 GJAB Cc1ccc(Cc2cnc(NC(=O)c3cc(=O)c4cc(C)ccc4o3)s2)cc1 8843783 SJHMTHHCVLGUPK-UHFFFAOYSA-N 390.464 4.709 0 40 GJAB COc1ccc(Nc2nc(Nc3ccc(C)c(Cl)c3)c3nccnc3n2)cc1 9075117 OFQVKGHSWDAIJT-UHFFFAOYSA-N 392.850 4.877 0 40 GJAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCC[C@@H]3c3ccccc3)c2C)no1 9958310 OYFFJEUESQUULI-RJRNSMGGSA-N 375.472 4.767 0 40 GJAB CCc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10315113 ATFZURSLMSYSHT-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(F)cc1Cl 11964547 GZVGLMOXHOWELK-UHFFFAOYSA-N 375.856 4.941 0 40 GJAB C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1nnc(-c2cccs2)o1 12588468 PYHGIDJCSSYALS-NSHDSACASA-N 396.501 4.640 0 40 GJAB CCc1cc2c(CN(C)Cc3ccc(Cl)c(Cl)c3)cc(=O)oc2cc1O 13056687 IEVCSLRVYVGXRX-UHFFFAOYSA-N 392.282 5.000 0 40 GJAB Cc1c(CN(Cc2cccnc2)Cc2cccs2)cnn1Cc1ccccc1 13569770 APARFKWADPKPGF-UHFFFAOYSA-N 388.540 4.899 0 40 GJAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)cc1 14163899 ILZOXXQMTJLPNB-SFHVURJKSA-N 397.478 4.750 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2cc1OC 15608602 RTRALCPWCQFRGT-OAHLLOKOSA-N 376.456 4.629 0 40 GJAB CCOc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c2cccnc12 15840819 DFLRXBZTBNRGJO-UHFFFAOYSA-N 384.863 4.921 0 40 GJAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)Nc1ccc(-c2nccs2)cc1 17590625 CJCPVEWAWSJDHV-LZCJLJQNSA-N 384.844 4.844 0 40 GJAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(=O)O)c(O)c3)o2)cc1Cl 20145485 VMTKFDCTQVLHBV-RMKNXTFCSA-N 397.814 4.964 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 20411814 QUQUQCAPRGYORR-IZZDOVSWSA-N 396.468 4.522 0 40 GJAB CCc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(Br)c1 20485931 ULPKVLKZMNQAOD-GOSISDBHSA-N 388.305 4.584 0 40 GJAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(Cc1cccs1)C3 20677968 CJPUUCJVHFHEPP-UHFFFAOYSA-N 375.449 4.874 0 40 GJAB biogenic CN(Cc1ccc(OC(F)F)cc1)C(=O)c1occc1COc1ccccc1 22382012 GHOLFPIBGJQCON-UHFFFAOYSA-N 387.382 4.732 0 40 GJAB COc1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc(OC)c1 26531962 MLNXIOKHDUIOQY-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccccc1C(F)(F)F 27926013 QYECRFAKECUGGH-UHFFFAOYSA-N 388.393 4.830 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1OC 30856709 FVXBXASKWZLXRZ-NSHDSACASA-N 396.306 4.586 0 40 GJAB Cc1nc(CCNCc2c(C)nn(-c3cccc(Cl)c3)c2Cl)cs1 40091406 IDASQXOARPPILG-UHFFFAOYSA-N 381.332 4.585 0 40 GJAB COc1ccccc1CNC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 47671826 ANXSSSFMZBAPJL-UHFFFAOYSA-N 399.878 4.579 0 40 GJAB COc1ccc(NC(=O)c2ccoc2)cc1NC(=O)c1ccc(Cl)cc1F 55781747 FQRWFOSCYJQADH-UHFFFAOYSA-N 388.782 4.585 0 40 GJAB Cc1ccc2nc(CNC(=O)Nc3cccc(C4SCCCS4)c3)cn2c1 56573623 WAJQZFGMWJXFPR-UHFFFAOYSA-N 398.557 4.833 0 40 GJAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1cccnc1)CO2 57120915 XAVOLGUERZRGFN-UHFFFAOYSA-N 384.435 4.516 0 40 GJAB biogenic O=C(NCc1ccc(Cl)cc1)N(CCc1ccccc1)Cc1ccccn1 62017991 HVYZEACWYJSPPT-UHFFFAOYSA-N 379.891 4.690 0 40 GJAB Nc1nc(CSC[C@@H](O)c2ccccc2)nc2sc3c(c12)CCCCC3 65533920 ONCIRWAOUAAGFM-OAHLLOKOSA-N 385.558 4.509 0 40 GJAB CCc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c1 67297827 RKKPKZKANKMZAZ-LCUIJRPUSA-N 399.450 4.889 0 40 GJAB CC(=O)N(c1nc(/C=C2/SC(=S)N=C2O)cs1)c1cccc(C)c1C 96662805 LTRWMBUCRUWZAZ-VGOFMYFVSA-N 389.527 4.774 0 40 GJAB O=C(c1ccc(Br)o1)N1CCS[C@H](c2ccccc2F)CC1 219100239 UWHXKTPUHJKFPY-AWEZNQCLSA-N 384.270 4.502 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 219304878 GBKTYFJGQJWKOO-MRXNPFEDSA-N 399.516 4.539 0 40 GJAB CCN(c1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1)S(=O)(=O)CC 222396623 ZCFAGIVUVJHBAD-UHFFFAOYSA-N 388.533 4.547 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(Br)cc3)N21 222644096 SRPAFVNITVZRIF-DJIMGWMZSA-N 388.334 4.824 0 40 GJAB Cc1cc(OCC(=O)NCc2cccc3ccccc23)cc(C)c1Br 222863059 RRMFXMYBRZDUPN-UHFFFAOYSA-N 398.300 4.914 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1C(C)C 223789953 PRQKKZPVTHCVTP-LJQANCHMSA-N 375.896 4.816 0 40 GJAB C[C@@H](CNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 224549311 KFGAFHMGVQWUNM-INIZCTEOSA-N 388.914 4.611 0 40 GJAB Cc1ccc(SCCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224646804 VPRVSCZNADOPNX-UHFFFAOYSA-N 382.573 4.780 0 40 GJAB CCc1cccc(C)c1NC(=O)CCc1ncc(-c2ccc(OC)cc2OC)o1 224866602 SIYOOXNOIKXXNY-UHFFFAOYSA-N 394.471 4.801 0 40 GJAB CCOc1ccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OCC 224988301 QUAZSVXBNWVIQK-UHFFFAOYSA-N 391.895 4.611 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)n1 225291649 ACJFOVMTOKGAON-NRFANRHFSA-N 389.499 4.580 0 40 GJAB CC(C)Sc1nnc(NC(=O)CCc2ccc(Cl)cc2Cl)s1 225381534 CJKXOICLELUNLK-UHFFFAOYSA-N 376.334 4.917 0 40 GJAB COc1ccc(NC(=S)NCc2cccc(OC(C)C)c2)c2cccnc12 225525439 FSRFCLFGLLZPRJ-UHFFFAOYSA-N 381.501 4.517 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1C 225678557 ZFCDPCOYRITJLK-GOSISDBHSA-N 398.528 4.679 0 40 GJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225693557 QFZTUPYGHLVHMF-WMZHIEFXSA-N 390.568 4.864 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(OC)c(OC)c1 225719270 AKICSBFOGQTESK-OAHLLOKOSA-N 382.888 4.934 0 40 GJAB CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 226333565 KSLLCUJRFIYFRO-UXBLZVDNSA-N 379.225 4.744 0 40 GJAB Fc1ccc(COc2cccc(C(=S)NCc3ccc4c(c3)OCO4)c2)cc1 408572098 FFOCKHQXHULYEN-UHFFFAOYSA-N 395.455 4.599 0 40 GJAB Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O 409345627 IKSBNWDLMGKVSU-XDHOZWIPSA-N 394.496 4.793 0 40 GJAB O=C(NC[C@H](c1ccco1)c1cccs1)c1ccc(OC(F)(F)F)cc1 585147753 YLVJWYYWPVWQCJ-CQSZACIVSA-N 381.375 4.802 0 40 GJAB CC(C)(CNC(=O)CCCOc1cccc(Cl)c1Cl)c1cccnc1 622713960 NULHLQCVVKOCNB-UHFFFAOYSA-N 381.303 4.641 0 40 GJAB CCOc1ccc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)cc1 1615117666 BWQAGQMWXQPGPR-XMMPIXPASA-N 396.506 4.888 0 40 GJAB O=C(C1CCC(F)(F)CC1)N1CCC[C@H](Cc2cnc3[nH]ccc3c2)CC1 2037838732 ZCAWXPSOCVKENZ-HNNXBMFYSA-N 375.463 4.560 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccccc3)cc2c1 790419 CMCVCQWFVSVXLK-UHFFFAOYSA-N 382.463 4.679 0 40 GJAB Cc1ccc(Sc2oc(/C=C3/SC(=O)NC3=O)cc2Br)cc1 1097009 OXZCGPAZKHUKNZ-KPKJPENVSA-N 396.287 4.826 0 40 GJAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C 1439822 VAGCZWPRKKZEES-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Br)cc1 1505467 JFRIAZISIGOZSV-UHFFFAOYSA-N 377.238 4.964 0 40 GJAB O=C(CCCOc1ccc(Cl)cc1Cl)OCC(=O)c1ccc(F)cc1 1796564 QLAPHAIHUWLGII-UHFFFAOYSA-N 385.218 4.718 0 40 GJAB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc2c(c1)OCO2 2206345 FEYMJCWAPUKJCZ-UHFFFAOYSA-N 391.814 4.864 0 40 GJAB CCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2576806 UUXKLESQZZGPLH-OAQYLSRUSA-N 381.472 4.949 0 40 GJAB CN(C)[C@H](CNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 2634773 BHKPVOOTZZBNHN-JOCHJYFZSA-N 385.467 4.528 0 40 GJAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc2ccccc2c1 3291136 FJZFMTZCZLVUJS-UHFFFAOYSA-N 391.442 4.973 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 3359841 FPTIIUCWZHOVCY-QFIPXVFZSA-N 376.456 4.678 0 40 GJAB Nn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccccc1Cl 3362728 YFKXIWADWXXQNX-UHFFFAOYSA-N 399.932 4.728 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1c(F)cccc1Cl 3433239 PUZDAWSFFOOFBS-UHFFFAOYSA-N 384.842 4.716 0 40 GJAB O=C(O)CCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 4645032 CPZAAQIZPWFUCI-IRIMRDQDSA-N 388.467 4.674 0 40 GJAB Cc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2)cc1 4815058 ZDASPAJCAJIWDW-DHIUTWEWSA-N 394.478 4.968 0 40 GJAB O=C(Nc1cc(Br)ccc1O)c1cc(-c2cccc(Cl)c2)on1 4881011 LIASHUUBBNUFTQ-UHFFFAOYSA-N 393.624 4.715 0 40 GJAB C[C@@H]1CC[C@@H](C)N(c2ncnc3c2sc2nc4c(cc23)COC(C)(C)C4)C1 4981044 QZBZBJLSWBHMRZ-CHWSQXEVSA-N 382.533 4.716 0 40 GJAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccc(-c2ccccc2)cc1 5154077 PMBAXJAOQZACRC-UHFFFAOYSA-N 382.463 4.831 0 40 GJAB C/C(=C\C(=O)Nc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1 5183540 MIKFOAMBPHHSKK-CCEZHUSRSA-N 390.314 4.658 0 40 GJAB O=C(Cc1ccccc1)NCc1nc2ccccc2n1Cc1ccc(Cl)cc1 5210253 MGODFJQVVNAWKS-UHFFFAOYSA-N 389.886 4.597 0 40 GJAB NC(=S)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 5714633 YQWXSPMWCMMZSR-PYRJCGHNSA-N 383.467 4.805 0 40 GJAB CC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 6213662 LCXKYNOWHOFVBQ-UHFFFAOYSA-N 394.496 4.863 0 40 GJAB COc1ccc2[nH]c(SCC(=O)c3cc(C)n(CC(F)(F)F)c3C)nc2c1 6586692 MJCAKEYEOKLQON-UHFFFAOYSA-N 397.422 4.527 0 40 GJAB COc1cc(OC)c2c(-c3ccccc3)cc(SCc3nnc(C)o3)nc2c1 7040289 GQQVTHNYDYXNLV-UHFFFAOYSA-N 393.468 4.903 0 40 GJAB Cc1nnc(S/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)O)o1 7603662 LCTDCDGQJGCTLQ-BOPFTXTBSA-N 377.425 4.744 0 40 GJAB c1csc(-c2noc(CSc3nnc(-c4cccs4)n3C3CC3)n2)c1 7763745 DXVDZCYMIJHOOW-UHFFFAOYSA-N 387.515 4.745 0 40 GJAB O=C(CSc1nc2ccccc2o1)N[C@H](c1ccccc1)c1cccs1 7883809 MAJWLNIEASXNHP-LJQANCHMSA-N 380.494 4.887 0 40 GJAB COc1cc(NC(=O)CSCc2ccccc2Cl)c(OC)cc1Cl 8031934 SBJAUUURKNFOFD-UHFFFAOYSA-N 386.300 4.883 0 40 GJAB Cc1ccc(NC2=NN=C(c3cc(C)n(C[C@H]4CCCO4)c3C)CS2)c(C)c1 8190843 IBFNFBOGUBUONY-GOSISDBHSA-N 396.560 4.820 0 40 GJAB COc1ccc2c(CC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)coc2c1 8391008 JSJPNSGPZMVOQJ-ZDUSSCGKSA-N 380.469 4.813 0 40 GJAB CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1 8511405 ZJBLADDSGKZYJR-UHFFFAOYSA-N 389.407 4.540 0 40 GJAB biogenic COc1ccc(N[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 8718370 ASACGRROUYCHLK-MRXNPFEDSA-N 392.455 4.935 0 40 GJAB Cc1ccccc1-n1nnnc1SCC(=O)c1ccc2c(c1)-c1ccccc1C2 8982910 VYCMYIGMZVUNJP-UHFFFAOYSA-N 398.491 4.517 0 40 GJAB Cn1c(SCc2cc(Cl)c3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 8983050 QJIXMQCKONPWLD-UHFFFAOYSA-N 394.283 4.810 0 40 GJAB COc1ccc2nc(N(Cc3ccncc3)C(=O)c3ccccc3)sc2c1 10254280 YOKNMFSRCDOKDJ-UHFFFAOYSA-N 375.453 4.547 0 40 GJAB CCc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCCC3)c2c1 12437948 RQQJGRPBADURDQ-UHFFFAOYSA-N 394.540 4.847 0 40 GJAB COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Cl)cc1Cl 12444030 FEHMTEPSRMZJBK-UHFFFAOYSA-N 380.206 4.579 0 40 GJAB Cc1cc(C)cc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1 12552876 AEHQIUADELORRP-UHFFFAOYSA-N 395.768 4.709 0 40 GJAB Cc1cc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)no1 12739007 MCOOGYRKEFRPMU-MRXNPFEDSA-N 379.847 4.680 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(Cl)cc3Cl)c12 12787225 QUQMRKYPQJGNOM-UHFFFAOYSA-N 376.243 4.645 0 40 GJAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3sccc3C)s2)cc1 13004592 BHYJMEPXSXWKBP-ZROIWOOFSA-N 389.933 4.883 0 40 GJAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(SC(F)(F)F)cc1 13006770 CRNSUPQOPLUJQU-UHFFFAOYSA-N 380.391 4.678 0 40 GJAB COc1ccc(CN(Cc2ccncc2)Cc2cc3c(cc2OC)CCC3)cc1 13570269 IDVUAFTZLICDQB-UHFFFAOYSA-N 388.511 4.790 0 40 GJAB Cc1cc(OC(=O)c2ccc(-c3ccccc3)cc2)n(-c2nc3ccccc3[nH]2)n1 13639548 ZPFPLNOTNQYKQX-UHFFFAOYSA-N 394.434 4.943 0 40 GJAB C[C@H](NC(=O)CCc1cnn(-c2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 14186562 LRRZPRCFYAOCRK-XXAPSYRMSA-N 377.532 4.526 0 40 GJAB COc1ccc(Br)cc1CSc1nnc(Cc2ccccc2)o1 14253471 QGFMTOGDKIZIEN-UHFFFAOYSA-N 391.290 4.724 0 40 GJAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3cccc(C)c3)c3ccccc32)cc1 16778057 OMBGPYHTHJNJJQ-UHFFFAOYSA-N 383.451 4.781 0 40 GJAB CC(C)c1nnc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 16965867 BHZPDKSCOGRSMZ-UHFFFAOYSA-N 383.317 4.951 0 40 GJAB COc1cccc(-n2ccnc2SCC(=O)C23CC4CC(CC(C4)C2)C3)c1 18335242 OEILMYMDSKFFDE-UHFFFAOYSA-N 382.529 4.759 0 40 GJAB C[C@@H](NCCc1ccccc1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 23425457 BQLUYZDFNLHKGF-OAHLLOKOSA-N 375.497 4.545 0 40 GJAB C[C@@H]1Sc2ccc(C(=O)N3CC[C@@H](C)Sc4ccccc43)cc2NC1=O 24584826 CRUVAIRCCBPSNP-OLZOCXBDSA-N 384.526 4.650 0 40 GJAB COc1ccc2c(c1)c(CC(=O)OC(C)C)c(C)n2C(=O)c1ccc(Cl)cc1 26728179 YCIPLRSQHFHPRU-UHFFFAOYSA-N 399.874 4.794 0 40 GJAB CC(=O)NCCc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1 30316724 VJHQWZZSBGSWEB-CYBMUJFWSA-N 393.314 4.505 0 40 GJAB COc1cccc(CSc2nccn3nc(-c4cccc(OC)c4)cc23)c1 38486442 WZMARHZAGRCQTH-UHFFFAOYSA-N 377.469 4.706 0 40 GJAB O=C(c1ccccc1C(F)(F)F)N1CCC(Cn2cnc3ccccc32)CC1 38533672 XIJZPQVWENCZAJ-UHFFFAOYSA-N 387.405 4.608 0 40 GJAB COc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1OC 38754512 PNGRXZJZYHRXIX-MURKYSCBSA-N 377.440 4.715 0 40 GJAB OC1=Nc2c(ncn2-c2ccc(OC(F)(F)F)cc2)[C@H](c2ccc(O)cc2)C1 40286024 XUAXOPKVNFXPQF-HNNXBMFYSA-N 389.333 4.600 0 40 GJAB COc1ccccc1NC(=O)[C@H](C)SCc1ccc(OC(F)F)c(OC)c1 45090317 DFOTULVUIQOPDP-LBPRGKRZSA-N 397.443 4.566 0 40 GJAB C[C@@H](NCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2)c1ccccc1 49597277 VCKKPVIXSWNNRA-YHLJFGAHSA-N 392.543 4.928 0 40 GJAB O=C(CSc1ccc(Cl)nn1)Nc1ccc(N2CCc3ccccc32)cc1 53711653 ISLBGUSVCZFCIC-UHFFFAOYSA-N 396.903 4.555 0 40 GJAB Fc1cccc(CNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)c1 57761918 PLNWYGMHMWYOHL-UHFFFAOYSA-N 379.826 4.938 0 40 GJAB Cn1ccnc1Sc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 70006784 UTSRQYOMJIZPHA-UHFFFAOYSA-N 389.480 4.742 0 40 GJAB Clc1ccccc1OCCc1cc([C@H]2CCN(CCc3ccccc3)C2)n[nH]1 72371235 JFBUGPFOWRYSND-IBGZPJMESA-N 395.934 4.717 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3cn(C)cc3C(F)(F)F)sc2C)cc1 96006675 DFDNLWJPTYLEEU-UHFFFAOYSA-N 395.406 4.737 0 40 GJAB Cc1ccccc1-c1nc(CNCc2cn(-c3ccccc3)nc2C(C)C)no1 97101326 LWPHTXBYTQRACT-UHFFFAOYSA-N 387.487 4.644 0 40 GJAB Cc1cc(Br)ccc1N1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O 102628315 FIRSCXKURKFPSN-CGTJXYLNSA-N 398.300 4.831 0 40 GJAB O=C(NCc1ccc(F)cc1)N1CCS[C@@H](c2ccccc2Cl)CC1 208047425 DIZBCXIKCSHKPZ-GOSISDBHSA-N 378.900 4.869 0 40 GJAB COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223756760 LDXKCKAGJKSYFP-WAIKUNEKSA-N 379.500 4.535 0 40 GJAB COc1cc(C)c(S(=O)(=O)NCCCc2ccccc2Cl)cc1C(C)C 224346253 WRIGHSCSGZJDTF-UHFFFAOYSA-N 395.952 4.692 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224713727 YLKXCTKXGMYTGL-OAHLLOKOSA-N 387.892 4.963 0 40 GJAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1 225463603 NSLDYQLTBQJATG-GFCCVEGCSA-N 379.323 4.814 0 40 GJAB Cc1nn2c(N)c(-c3ccccc3)cnc2c1-c1ccc(Br)cc1 408702942 WMHFDPICGBNPKA-UHFFFAOYSA-N 379.261 4.716 0 40 GJAB CCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(Cc3ccccc3F)c12 409146885 TVJRHXNWOHTWRV-ZDLGFXPLSA-N 380.444 4.715 0 40 GJAB Cn1ncc(C2CCC2)c1CNC(=O)Nc1ccccc1SCC(F)(F)F 665427874 KFLIZMGPIIQLAC-UHFFFAOYSA-N 398.454 4.664 0 40 GJAB CCOc1ccc(NC(=O)CSCc2ccc(C(=O)OC(C)C)cc2)cc1 646349 SJHXZTUPNGQWJB-UHFFFAOYSA-N 387.501 4.522 0 40 GJAB CCN1C(=O)[C@](O)(CC(=O)c2ccc(C3CCCCC3)cc2)c2ccccc21 1076313 DNEPQDVMKRDLLE-DEOSSOPVSA-N 377.484 4.561 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 1329323 INRDNORDCCNMHG-HUUCEWRRSA-N 380.517 4.507 0 40 GJAB COc1ccc(COc2ccsc2C(=O)Nc2ccc(F)cc2F)cc1 1400566 XAPGCGVPNKCIBG-UHFFFAOYSA-N 375.396 4.866 0 40 GJAB O=C(COC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccc1 1433010 JVYMTPZWGWZDBA-IRXDYDNUSA-N 377.465 4.772 0 40 GJAB Cc1cc(C)cc(-c2nnc3sc(Cc4noc5c(C)cccc45)nn23)c1 2183270 BAHSRXQIIMYORY-UHFFFAOYSA-N 375.457 4.510 0 40 GJAB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccc1F)nn3CC(C)C 2431349 UHYQUICQOBILTI-UHFFFAOYSA-N 376.435 4.940 0 40 GJAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)cc1 2448392 ISMGGBOHHPWRGQ-UHFFFAOYSA-N 380.517 4.567 0 40 GJAB COc1ccc([C@H]2c3sc(O)nc3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1OC 2463724 SNUBHAJWZFBQHA-PEIKOTFYSA-N 375.515 4.518 0 40 GJAB Cc1cc(C)c(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(C)c1 2616419 VEPNKMROZVZPEB-UHFFFAOYSA-N 390.270 4.879 0 40 GJAB CC(C)(C)[C@@H](/C=C/c1ccc(Cl)cc1Cl)NC(=O)C1(NC=O)CCCC1 3672335 XYZLRTZXWITBMM-UGAXZCSASA-N 397.346 4.596 0 40 GJAB CCCc1nc(SCc2ccc(OC)cc2)n(CC(=O)OCC)c1CCC 4024025 ONLYUBBWAMUGEU-UHFFFAOYSA-N 390.549 4.652 0 40 GJAB COCCn1c(S[C@H](C)c2ccccc2)nnc1-c1c[nH]c2ccccc12 4138675 HOUDFZGUNUYPBX-OAHLLOKOSA-N 378.501 4.926 0 40 GJAB CC1=C(c2nc(-c3ccc(C)cc3)no2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 4483832 LSGPMOWRTRMURN-QGZVFWFLSA-N 396.903 4.648 0 40 GJAB CC(C)(C)c1ccc(OCc2nn3c(-c4ccc(F)cc4)nnc3s2)cc1 4664921 UXKYOPUCPBPSCJ-UHFFFAOYSA-N 382.464 4.868 0 40 GJAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc(F)cc3)nc2c1 5142281 WLWJKLMSGQRTPZ-UHFFFAOYSA-N 393.443 4.686 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@H](C)c3nnc(-c4ccccc4)o3)n2)cc1 5318631 WZCQSNKJRUIPTC-CYBMUJFWSA-N 377.473 4.937 0 40 GJAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1CCCOc1ccccc1 5483057 QJTSLGYICAZPRB-UHFFFAOYSA-N 380.444 4.733 0 40 GJAB O=c1[nH]c(CNc2ccc3c(c2)CCC3)nc2scc(-c3ccc(F)cc3)c12 7286102 BGUFCRFCGQDHPN-UHFFFAOYSA-N 391.471 4.892 0 40 GJAB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1nccs1 8007644 NUSPXSKMAWVWGI-UHFFFAOYSA-N 394.887 4.830 0 40 GJAB Cc1cc(C)cc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)c1 8335676 ILIGTKQXGIAIRN-UHFFFAOYSA-N 396.556 4.728 0 40 GJAB Cc1ccccc1-n1c(SCC(=O)C2CCCCC2)nnc1-c1cccnc1 8708686 SIDPGYGEZSDCAS-UHFFFAOYSA-N 392.528 4.879 0 40 GJAB CC(C)Cn1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1-c1ccco1 9566620 XFJOKJRROMNIAG-UHFFFAOYSA-N 381.501 4.658 0 40 GJAB COc1ccc(SCCC(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 10219619 FPMWKSSQBDLXTK-UHFFFAOYSA-N 389.864 4.520 0 40 GJAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(NC(=O)C2CC2)cc1 10427314 RWBJHKQBBZFAFW-UHFFFAOYSA-N 396.450 4.626 0 40 GJAB CCn1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)n1 11738253 ZLKJGKMMRVVABP-UHFFFAOYSA-N 388.254 4.693 0 40 GJAB CN(Cc1ccccc1N1CCCC1)c1nc(C(F)(F)F)nc2ccccc12 12533923 ZARXVBYONFVSLJ-UHFFFAOYSA-N 386.421 4.885 0 40 GJAB COc1cc(SC)ccc1C(=O)OCC(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C 12599885 TZIPYEXNSAFSEK-OGWOLHLISA-N 394.533 4.578 0 40 GJAB COc1cc(OC)c(NC(=O)c2csc(-c3cccs3)n2)cc1Cl 12769350 GYSOCYSHIOETOJ-UHFFFAOYSA-N 380.878 4.795 0 40 GJAB Cc1ccc(N(Cc2ccccc2)C(=O)CCc2nc(-c3ccco3)no2)cc1 12874361 MBPBHTINVMLXRQ-UHFFFAOYSA-N 387.439 4.804 0 40 GJAB COc1ccc(C(N)=O)c(Oc2nc(C)nc3scc(-c4ccccc4)c23)c1 12908640 CNCCTMSKLXZXRQ-UHFFFAOYSA-N 391.452 4.567 0 40 GJAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCc4ccccn4)c23)CO1 13228258 FHMPJBBIPPIAGX-IBGZPJMESA-N 386.546 4.662 0 40 GJAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c(C)c1 13477696 VYCYPXQWSXYAHH-ULBZPVTCSA-N 379.459 4.700 0 40 GJAB biogenic CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(OC)c(OC)c1 14083439 JFNYVSQCCRURPE-UHFFFAOYSA-N 389.908 4.928 0 40 GJAB CSCc1c(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)oc2ccccc12 14161009 BVUOUPFVLYLPQM-UHFFFAOYSA-N 396.512 4.590 0 40 GJAB Cc1ccc(N2CC(=O)N(c3cc(C)ccc3C)[C@@H](c3ccccc3)C2=O)cc1 15413167 UDOSELOFHWIPGH-DEOSSOPVSA-N 384.479 4.733 0 40 GJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1OC[C@H]1CCCO1 16444892 PRJBOQISAGVLRJ-CYBMUJFWSA-N 388.876 4.760 0 40 GJAB O=C(NCc1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 16857449 PTPHFCARXKKNIL-UHFFFAOYSA-N 389.238 4.769 0 40 GJAB Cc1ccc(-c2csc(N3N=C4CC[C@H](C)C[C@H]4[C@]3(O)C(F)(F)F)n2)cc1 16957505 DTUQFRUTJMATAT-WRSAYESZSA-N 395.450 4.982 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 20040779 XUPDXYJBEOOVPC-UHFFFAOYSA-N 394.515 4.656 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1Cl 20452112 FVMGUUSESWFFKB-UHFFFAOYSA-N 396.270 4.968 0 40 GJAB Clc1ccc(COc2cccc(CN[C@H]3CN4CCC3CC4)c2)c(Cl)c1 20477077 FMXLWVYQTRYWTE-NRFANRHFSA-N 391.342 4.756 0 40 GJAB COc1ccc([C@@H](NCc2ccccc2)[P@](=O)(O)CCc2ccccc2)cc1 20567234 LDEIBDPASBMKHI-QHCPKHFHSA-N 395.439 4.997 0 40 GJAB Cc1ccc2cccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)c2n1 21596050 KSQWWLOPXNHPEK-UHFFFAOYSA-N 377.513 4.968 0 40 GJAB CC[C@@H](Sc1nc(N)c2c(C)c(C)sc2n1)C(=O)Nc1ccc(F)cc1 24774013 SBNWSBJMTVTYGL-CYBMUJFWSA-N 390.509 4.539 0 40 GJAB O=C(CSc1ccncc1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 27060066 DNDCVWYVWTVPEJ-RZDLDHBLSA-N 386.520 4.587 0 40 GJAB CCN1C(=O)COc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc21 28404410 BYBPQWKQWIHPPH-UHFFFAOYSA-N 386.860 4.552 0 40 GJAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)C(C)C 32975849 MWQDHRROEYNJMN-LJQANCHMSA-N 393.512 4.512 0 40 GJAB COc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1Cc1ccccc1 33236112 SIPUBQKFZAHOQP-UHFFFAOYSA-N 385.261 4.629 0 40 GJAB c1ccc(Cc2nc3ccccc3c3nnc(SCc4ccccn4)n23)cc1 35314318 VLGXIDWEGIPURC-UHFFFAOYSA-N 383.480 4.556 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2OC(C)C)cc1 36359163 QWFIHMBAORMGFZ-GOSISDBHSA-N 377.444 4.792 0 40 GJAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCC(C)CC3)c12 36613321 PWUHALQPKYOTOL-UHFFFAOYSA-N 388.515 4.538 0 40 GJAB CCCc1ccc([C@H](C)N(CC(N)=O)Cc2csc(-c3ccccc3)n2)cc1 58132844 XDJUYPVARIHJIY-KRWDZBQOSA-N 393.556 4.811 0 40 GJAB O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)Nc1cccc(F)c1F 61786281 KALSCSCPLBSJJM-UHFFFAOYSA-N 380.394 4.888 0 40 GJAB Cc1cc(F)ccc1Nc1c(C(=O)N2CCSCC2)cnc2ccccc12 64471778 QLTSTARIBIISKX-UHFFFAOYSA-N 381.476 4.615 0 40 GJAB Cc1cccc(N2CCN(c3nccn4nc(-c5ccc(C)cc5C)cc34)CC2)c1 67285112 BVSRPQUYRVJGDB-UHFFFAOYSA-N 397.526 4.648 0 40 GJAB CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)C4CCCC4)C3)n[nH]2)cc1 72371379 JZKIPDPQPLYKDZ-HXUWFJFHSA-N 395.547 4.661 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(Nc2ccccc2)s1 89895730 MGAFKUCLUZBYHR-OAHLLOKOSA-N 398.557 4.511 0 40 GJAB Cc1cccc(CSCC(=O)NCCSCc2ccccc2Cl)c1 222735601 SEVVVTMRJCHZIG-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCOc1cccc2ccccc12 223550795 FWRUACWDKBJBFU-SFHVURJKSA-N 377.484 4.926 0 40 GJAB COc1cccc(OCc2cc(C(=O)Nc3ccccc3C)ccc2OC)c1 224251209 NYSXZRMVNSVIAY-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)cc(C)c1Cl 224543587 KERMHHRFNUGAMW-NSHDSACASA-N 385.942 4.715 0 40 GJAB COc1ccccc1OC[C@H](C)NC(=O)CCc1c(Cl)cccc1Cl 225363528 NTZDXUGCDISCLY-ZDUSSCGKSA-N 382.287 4.518 0 40 GJAB COc1ccc(CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1OC 225627598 DMIHWLWVFSGGPB-UHFFFAOYSA-N 398.450 4.642 0 40 GJAB COc1cc(C)c(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1C(C)C 225670436 FPXXLDUSWKIGCF-UHFFFAOYSA-N 399.878 4.760 0 40 GJAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc21 225702716 NQIPTTASLVCECD-UHFFFAOYSA-N 398.509 4.598 0 40 GJAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)c(OC)c1 225933599 ITOJIXWORHGXPK-UHFFFAOYSA-N 387.479 4.688 0 40 GJAB Cc1c(Cl)cccc1NCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 408724515 FFCFZKZUNDAYDN-CXUHLZMHSA-N 376.840 4.893 0 40 GJAB Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1CC(C)C 409101653 QDEKPVGHPFEUMS-UHFFFAOYSA-N 394.544 4.564 0 40 GJAB O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCc2cc(Br)ccc21 502965527 CVMYUXWUQBEGFV-QGZVFWFLSA-N 386.289 4.546 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)NC[C@@H]2CCOC2(C)C)cc1F 665852285 FDICIDSTJRCOAJ-AWEZNQCLSA-N 388.439 4.563 0 40 GJAB Cc1noc(C)c1[C@@H](C)c1nc(CCCOc2cccc3ccccc23)no1 680741408 WYCQHUTYOYFHBC-CQSZACIVSA-N 377.444 4.991 0 40 GJAB COc1ccc(Nc2c3c4c(cccc4n(C)c2=O)C(=O)c2ccccc2-3)cc1 826578 SYYIEKYLZDJBMY-UHFFFAOYSA-N 382.419 4.502 0 40 GJAB biogenic Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1-c1cccc(Cl)c1 976468 QFGNSYWBCOSRAS-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB CCn1c(SCCCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1OC 2664922 MJJNZBIFSRFXNZ-UHFFFAOYSA-N 399.491 4.868 0 40 GJAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)C1(C)C 4721846 DOAPFWMHYCYJDH-NHCUHLMSSA-N 376.500 4.794 0 40 GJAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2ccc(F)cc2)N1 5072080 QCCRBBGYWXORFX-OAQYLSRUSA-N 384.414 4.624 0 40 GJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)cc1OC 5158157 FKRPXPXSMAVQSM-QDSKXPNFSA-N 399.506 4.711 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1ccc2ccccc2c1 6559986 RICXVZNJDGVQQW-UHFFFAOYSA-N 380.469 4.538 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Br)o1 6612437 MEHVONZGZDJCBX-NEPJUHHUSA-N 394.265 4.740 0 40 GJAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)/C=C/c1ccc(F)cc1 6626545 INMHOPWQYDQJBO-LFYBBSHMSA-N 399.853 4.980 0 40 GJAB COc1ccccc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 6672632 LNNHQHHHJIYNNT-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB Cc1c(CC(=O)Nc2ccccn2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 6719117 HGZMVPFTKXHNEV-UHFFFAOYSA-N 390.439 4.721 0 40 GJAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccccc1Br 7405334 BDRXALSIQYGIAK-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB C/C=C/c1ccc(OCCCn2c([C@@H](O)CC)nc3ccccc32)c(OC)c1 7425466 XCEQAUJTPZUSDZ-ZTJJKMQJSA-N 380.488 4.991 0 40 GJAB O=C(COc1ccc(Cl)cc1)N[C@H](c1ccc(F)cc1)c1cccs1 7889513 PZSKVZHSCRFITA-LJQANCHMSA-N 375.852 4.825 0 40 GJAB Cc1c(C(=O)NC[C@H](c2cccs2)N(C)C)oc2c1ccc1ccccc12 7963831 AQJIBMKXYZKQGD-GOSISDBHSA-N 378.497 4.989 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(-c3ccccc3F)o2)N1C[C@@H]1CCCO1 8160224 VTCCJGMCBGDOTG-OYHNWAKOSA-N 392.430 4.831 0 40 GJAB N[C@H](CSC1(c2ccc(Cl)cc2)c2ccccc2-c2ccccc21)C(=O)O 8618608 BZRSNJXOHYRQSB-HXUWFJFHSA-N 395.911 4.757 0 40 GJAB in-vitro Cc1cc2ncn(-c3nc(CN4CCCC4)nc4sc(C)c(C)c34)c2cc1C 8710780 QHPOVCIEIWCNAD-UHFFFAOYSA-N 391.544 4.860 0 40 GJAB NC(=O)c1oc2ccccc2c1NC(=O)CCCSc1ccc(Cl)cc1 10218166 HHAFHNBGBHSNND-UHFFFAOYSA-N 388.876 4.696 0 40 GJAB COc1cc(NC(=O)c2occc2COc2ccccc2)c(OC)cc1Cl 10430855 OLKYHZOWRGJFBI-UHFFFAOYSA-N 387.819 4.782 0 40 GJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(Cl)cc1 12700225 XZRKLIMYVOFOBW-CYBMUJFWSA-N 398.919 4.917 0 40 GJAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(F)c(Cl)cc1Cl 12988511 OEFWNAPAGFRBMA-ZDUSSCGKSA-N 384.234 4.943 0 40 GJAB Cc1ccc(C)n1-c1nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2s1 13720987 QAJBMBYFQBYNTB-UHFFFAOYSA-N 391.452 4.685 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(C)c2)sc2c1CCCC2 13992548 JAIPHMDLQOJFOU-CQSZACIVSA-N 387.501 4.518 0 40 GJAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O 14095514 NWJJMCMQQSDQHN-HXUWFJFHSA-N 375.516 4.817 0 40 GJAB C[C@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)C(=O)c1ccccc1 16322525 ZEMJLRSNEDBPLT-INIZCTEOSA-N 398.418 4.832 0 40 GJAB O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)s1 18702656 IAQLTCNOAVPQQT-UHFFFAOYSA-N 375.906 4.979 0 40 GJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1Cl)c1ccccc1F 19349767 FXSHRGBSPUSXPU-LJQANCHMSA-N 383.854 4.531 0 40 GJAB CNC1CCC2(CC1)CN(Cc1ccccc1OC(C)C)Cc1ccccc1O2 19450966 LYRHYEGDRPUBNQ-UHFFFAOYSA-N 394.559 4.769 0 40 GJAB COc1cccc(CN(Cc2ccccn2)Cc2ccnc3ccccc23)c1OC 19567544 HHGHYDPTAAOILP-UHFFFAOYSA-N 399.494 4.849 0 40 GJAB CCOc1cc(Cn2cncc2-c2cnn(C3CCCCC3)c2)ccc1OC 19654557 PTGSSKHLNAFUDF-UHFFFAOYSA-N 380.492 4.707 0 40 GJAB O=C(c1ccc(Br)cc1)N1CCCC[C@H]1CCN1CCCCCC1 21170774 AUJVRLQHNSXLBD-IBGZPJMESA-N 393.369 4.710 0 40 GJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(N(C)C)nc2)cc1C 25325441 RQOLFFXLNDAKRT-UHFFFAOYSA-N 378.501 4.563 0 40 GJAB CN(Cc1ccccc1NS(=O)(=O)/C=C/c1ccccc1)C1CCCCC1 29384598 XEVUPYUTMVCAOT-WUKNDPDISA-N 384.545 4.864 0 40 GJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 30316742 GKEFUWFBFNBRPN-LLVKDONJSA-N 375.255 4.668 0 40 GJAB c1ccc([C@@H](NCc2cccc(OCc3ccccn3)c2)c2ccccn2)cc1 30544689 KBOAZTGUBJJFAQ-RUZDIDTESA-N 381.479 4.935 0 40 GJAB COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(C)c(C)c2)c2ccccc2)c1 32909980 BBHPHDIDHVNEQL-JOCHJYFZSA-N 389.451 4.849 0 40 GJAB COc1ccc(-c2csc(NC(=O)Cc3ccccc3Cl)n2)c(OC)c1 32991077 NYUPWAGYWFSGLK-UHFFFAOYSA-N 388.876 4.662 0 40 GJAB O=C(Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1)c1cccs1 36356972 CESIOUMZMKEMLR-UHFFFAOYSA-N 388.496 4.760 0 40 GJAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 37450828 FANXWNWVUQSJSF-LICLKQGHSA-N 387.844 4.502 0 40 GJAB CCOc1ccc(S(=O)(=O)Oc2cc(C)nc3ccccc23)c2ccccc12 41097171 AQMSQGRRPFVXAL-UHFFFAOYSA-N 393.464 4.863 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875355 DWMLVNWWXGVXEF-HSZRJFAPSA-N 394.559 4.763 0 40 GJAB CCCCOC(=O)c1ccc(NCn2nc(-c3cccs3)oc2=S)cc1 59488497 KBHBXVBBTGJVGF-UHFFFAOYSA-N 389.502 4.961 0 40 GJAB CNc1nc2c(s1)[C@H](c1cccc(OC)c1OCc1ccccc1)CC(O)=N2 61719105 HLBKWWBEYRZKHZ-HNNXBMFYSA-N 395.484 4.896 0 40 GJAB Nc1c(-c2nnc(SCc3cccc(F)c3)n2C2CC2)sc2ncccc12 64370086 NEXFALBWJDSMTH-UHFFFAOYSA-N 397.504 4.903 0 40 GJAB COc1cc(NC(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)cc(OC)c1 71851060 KHBFALFVQLAHIR-SOFGYWHQSA-N 394.402 4.682 0 40 GJAB CNc1ncccc1CN1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359810 HGTOUHKDNGSVRB-UHFFFAOYSA-N 393.922 4.613 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2cc(Cl)c(C)cc2O)n[nH]1 72427469 PHATYBHUIQULPE-UHFFFAOYSA-N 392.242 4.658 0 40 GJAB C[C@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCCCC1 80345451 CDIAHUNJUKBIIS-CYBMUJFWSA-N 381.303 4.858 0 40 GJAB COc1ccc([C@H](CNc2cc(C(F)(F)F)nc3ccccc23)N(C)C)cc1 89313895 GOADHUSZCVMPAS-IBGZPJMESA-N 389.421 4.977 0 40 GJAB CN(C)c1cccc(C(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)c1 90607068 WWKTZFPYUWWEBD-UHFFFAOYSA-N 394.544 4.723 0 40 GJAB COc1ccc(F)cc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 93790013 AKAGWGKYBVXQFW-UHFFFAOYSA-N 376.840 4.792 0 40 GJAB Cn1c([C@@H]2CCCN2C(=O)CC2(n3cccc3)CCCCC2)nc2ccccc21 96223987 GXNWJGFLZYWGIU-NRFANRHFSA-N 390.531 4.788 0 40 GJAB COc1cc(C(=O)N(C)C2c3ccccc3-c3ccccc32)cc(Cl)c1O 97141377 XAINVRUHQBXUCW-UHFFFAOYSA-N 379.843 4.896 0 40 GJAB Cc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)[C@@H](C(=O)c3ccccc3)CN2C)cc1 106345960 AOCPPFBBSZTNPG-KMDXXIMOSA-N 383.491 4.980 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 111501298 XYTWLVZMUMAOMO-UHFFFAOYSA-N 384.442 4.755 0 40 GJAB O=C(CCc1ccccc1)N1CCC(COc2nc3ccccc3s2)CC1 206600057 XWIOYKPBAMIOBC-UHFFFAOYSA-N 380.513 4.547 0 40 GJAB COc1ccc(Cl)cc1C(=O)NCc1ccc(C(=O)c2ccsc2)s1 211084307 LQAHMWYGCOARQM-UHFFFAOYSA-N 391.901 4.633 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(C)c1 219026653 WGUJFXLTGBUVDE-MRXNPFEDSA-N 377.440 4.731 0 40 GJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCCCCC2)c1 222552339 TVXLGBDMQRFOLU-PGMHBOJBSA-N 380.488 4.588 0 40 GJAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 224858797 BBFFMCCYXCJKFC-DLBZAZTESA-N 387.917 4.679 0 40 GJAB CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ccccc2c1 225046471 QQQXWSCWMHJKKK-UHFFFAOYSA-N 390.302 4.818 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)CCCOc3ccc(Cl)cc3)ccc21 225098272 CDPWSFIWZZTWBH-UHFFFAOYSA-N 390.892 4.534 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)c2ccc(Cn3ccnc3)cc2)c2ccccc2O1 225275512 UEOHTGDXMITCQT-OAQYLSRUSA-N 389.499 4.744 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 225477024 JNTSSVJUHCCRNT-OFNKIYASSA-N 394.559 4.650 0 40 GJAB Cc1cc(NC(=O)C2(c3ccccc3F)CCOCC2)cc(C)c1OC(C)C 225572846 DSIQLUOTZXBURQ-UHFFFAOYSA-N 385.479 4.917 0 40 GJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225618859 MERZXCVAFBYIOE-DNVFCKCGSA-N 390.568 4.577 0 40 GJAB O=C(NCc1cncc(-c2cccs2)c1)c1cccc(OC(F)(F)F)c1 225666718 MSJKRDNTWMRYBK-UHFFFAOYSA-N 378.375 4.639 0 40 GJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225734292 SXIFHUYEXVLNCI-JOCHJYFZSA-N 378.557 4.577 0 40 GJAB S=C(NCc1nc(-c2ccccc2Cl)no1)Nc1ccc(Cl)cc1 225818571 PXDDAJHGBGBDKM-UHFFFAOYSA-N 379.272 4.530 0 40 GJAB O=C(CC1CCCC1)N1CCC[C@H]1c1ccnc2ncc(-c3ccc(F)cc3)n12 257212614 CEFLLJAGFSMAHL-IBGZPJMESA-N 392.478 4.779 0 40 GJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 408624021 WMSZWILCZRGXQE-UHFFFAOYSA-N 388.467 4.502 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 408709320 ZLZPIXJNWKJPIT-XEVCZEQESA-N 384.564 4.768 0 40 GJAB COc1ccccc1C1=N/C(=C\c2ccc(OCc3cccc(C)c3)cc2)C(=O)O1 409026428 ORAIXJLLZORBGJ-JCMHNJIXSA-N 399.446 4.927 0 40 GJAB CC(C)C[C@H](C(=O)N(CC1CC1)C[C@@H]1CCCN2CCCC[C@H]12)n1cccc1 524731561 BWWZNAGGRMEFPI-YTFSRNRJSA-N 385.596 4.578 0 40 GJAB biogenic O=C(N[C@H](c1cccnc1)C1CC1)c1ccc2cc(Br)ccc2c1 535449748 FANZEFOPVVVERQ-IBGZPJMESA-N 381.273 4.878 0 40 GJAB O=C(c1nccc2ccsc12)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 585123544 UBPHXJVDYGRXMB-CYBMUJFWSA-N 381.432 4.596 0 40 GJAB CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 1637390761 YBYNHIFTGZHYKX-RTBURBONSA-N 386.927 4.871 0 40 GJAB O=C1CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 626424 HECRUWTZAMPQOS-DHIUTWEWSA-N 387.435 4.665 0 40 GJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(OC)c(OC)c1 949037 GIMHECBTVCMUHD-UHFFFAOYSA-N 396.443 4.571 0 40 GJAB Cc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1786155 NBSNUSPEBPOZHK-UHFFFAOYSA-N 395.673 4.733 0 40 GJAB CCOc1ccc(-c2nnc(Nc3ccc(C(=O)NC)cc3)c3ccccc23)cc1 2374573 MAYJYKUSBGDTIL-UHFFFAOYSA-N 398.466 4.799 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2cccc3ccccc23)CC1 2582326 IMLFFOCQVPCSEV-UHFFFAOYSA-N 378.903 4.693 0 40 GJAB CCCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccccc1 2706274 GHVFJCQRAFBZLU-UHFFFAOYSA-N 385.562 4.859 0 40 GJAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc(F)c(Cl)c1 2887833 CZKWBGWDFOBCHU-UHFFFAOYSA-N 393.896 4.703 0 40 GJAB CCN(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1 3214491 IXWIVMPIVBJBEJ-IBGZPJMESA-N 375.468 4.848 0 40 GJAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2c(Cl)cccc2Cl)cc1 3280739 UUMUYBJPKJVEON-GFCCVEGCSA-N 380.271 4.669 0 40 GJAB Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N2CCc3ccccc32)s1 3398638 WDHOUUXXCPGFII-AWEZNQCLSA-N 396.541 4.660 0 40 GJAB O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1ccc(Br)s1 4224073 MFRKGLHGVHNSBH-UHFFFAOYSA-N 377.288 4.791 0 40 GJAB COc1cc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2cc1OC 4479908 DPSHKOQITPUYRS-UHFFFAOYSA-N 382.363 4.585 0 40 GJAB CCOC(=O)c1c(NC(=O)CSCc2ccccc2C)sc2c1CCC2 4496550 IBRNUFQSAXAKQG-UHFFFAOYSA-N 389.542 4.594 0 40 GJAB CSc1cccc(-c2nnc(NC(=O)Cc3cccc4ccccc34)o2)c1 4585603 JCGFSIQDPFJGEG-UHFFFAOYSA-N 375.453 4.793 0 40 GJAB COc1ccc([C@@H]2SCCN2C(=O)Nc2ccc(Cl)cc2)cc1OC 4941175 JYPHRKUNKFLYSI-KRWDZBQOSA-N 378.881 4.637 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 4947741 KFOVINAOVKFKSP-UXIGCNINSA-N 388.291 4.549 0 40 GJAB Cc1cc(C)cc(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)c1 4966383 GYPBICBAMMTXHJ-UHFFFAOYSA-N 379.529 4.731 0 40 GJAB Brc1cccc(CSc2ncnc3c2cnn3-c2ccccc2)c1 5500864 WOMBLKLYEVKRRO-UHFFFAOYSA-N 397.301 4.870 0 40 GJAB Cc1cc(CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)no1 5702466 LIQZDMCLFDKVPH-UHFFFAOYSA-N 384.411 4.801 0 40 GJAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C)sc2c1 5916381 HGNGMNVJWNTKOU-UHFFFAOYSA-N 385.514 4.684 0 40 GJAB COc1ccc(/C=C/C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 6053939 AZJGHSGPXINJTL-MDWZMJQESA-N 384.431 4.706 0 40 GJAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cccc(Cl)c1 6886443 SPIWXXWSTQSLTB-UHFFFAOYSA-N 390.921 4.534 0 40 GJAB CCc1cc(=O)oc2cc(OC(=O)/C=C/c3nc4ccccc4s3)ccc12 7779823 DHNXPDCWVJQKBO-MDZDMXLPSA-N 377.421 4.584 0 40 GJAB CCc1ccc(NC(=O)Cc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 7845949 XOMBOYKSEHFNFK-UHFFFAOYSA-N 382.485 4.571 0 40 GJAB O=C(COc1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3s2)CC1 8086398 HPOWWZQSVVYFNZ-UHFFFAOYSA-N 392.524 4.570 0 40 GJAB CC(=O)CCSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 8129935 HFCAQHXXWUZRBP-UHFFFAOYSA-N 393.299 4.707 0 40 GJAB CCCCn1c(SCc2nc(-c3ccccc3)no2)nc2ccccc2c1=O 8195062 LSVCCUXAQFHFEQ-UHFFFAOYSA-N 392.484 4.539 0 40 GJAB O=C1N=C(Nc2ccccc2Br)S/C1=C/c1ccccc1F 8435728 XFYCKAGLJAKQEO-NTEUORMPSA-N 377.238 4.671 0 40 GJAB CCOc1ccccc1-c1nc(CC(=O)Nc2nc3ccccc3s2)cs1 8709317 DPYHXRFQBHUMKV-UHFFFAOYSA-N 395.509 5.000 0 40 GJAB CCC[C@H](CNC(=O)CSc1ncccn1)c1ccc(Cl)cc1Cl 8728018 IGRZFCQFNFULKH-GFCCVEGCSA-N 384.332 4.576 0 40 GJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)[C@H]1COc2ccccc2C1 8843827 RDSQVBZAYGYEHZ-OAHLLOKOSA-N 384.888 4.577 0 40 GJAB COc1ccc(Nc2nc(C(=O)Nc3ccc(C)c(F)c3)cs2)c(OC)c1 9239846 WTSAIKYFASPFSR-UHFFFAOYSA-N 387.436 4.604 0 40 GJAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2)cc1C 9271980 LCVHLEQFIUIOHB-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB C[C@@H](c1ccccc1)N(C)C(=O)NCCCCCc1nc(-c2cccs2)no1 9460306 ZTPCAGDAJYFUDL-INIZCTEOSA-N 398.532 4.914 0 40 GJAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCC[C@H]1c1nc2ccccc2s1 9516480 ZQNGKKPOKOCJGI-YOEHRIQHSA-N 398.915 4.865 0 40 GJAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@H](c2ccc(C)cc2)C4)cc1 9698375 ZKSFBMXODUAUHI-LJQANCHMSA-N 397.478 4.934 0 40 GJAB CCN(C(=O)CSc1nnc(NC(C)C)s1)c1cccc2ccccc12 9722840 YXLUMZLRWBPKMX-UHFFFAOYSA-N 386.546 4.657 0 40 GJAB CCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1ccco1)C3 10156941 MCWFOJOCAHOROC-CYBMUJFWSA-N 392.846 4.513 0 40 GJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc(F)cc(F)c1 12226754 RLSSVOBMFVLAPP-UHFFFAOYSA-N 384.304 4.584 0 40 GJAB CCc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)cc3)n3ccccc23)cc1 12342080 HBZWJCJUHKPBOO-UHFFFAOYSA-N 397.478 4.876 0 40 GJAB Cc1ccc(OCc2nc3ccccc3n2CC(=O)N[C@H](C)c2ccccc2)cc1 13096668 DWXJOPWQEAVWKS-LJQANCHMSA-N 399.494 4.801 0 40 GJAB C[C@H]1CCCN(C(=O)Nc2cccc(NC(=O)N3CCC[C@@H](C)[C@@H]3C)c2)[C@@H]1C 13116511 SMTHNRGBDWWTEJ-FZDBZEDMSA-N 386.540 4.991 0 40 GJAB Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)N(CCc1c[nH]c3ccccc13)C2=O 13687955 WVKLVMMSORPJCA-NRFANRHFSA-N 390.874 4.641 0 40 GJAB COC[C@H](C)n1c(C)cc(C(=O)COc2ccc(C)cc2Br)c1C 14086542 SEWDGYBTLBEPSC-AWEZNQCLSA-N 394.309 4.645 0 40 GJAB Cc1cccc(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)c1 16807212 GAKPDIRAUBDNIK-UHFFFAOYSA-N 395.532 4.522 0 40 GJAB FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCNC3)n2)cc1 19332587 IUVRKANPQLYVDC-OAHLLOKOSA-N 399.420 4.768 0 40 GJAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3ccnn3C(C)C)CC2)n1 19690582 UIVMWYQOWAFECQ-UHFFFAOYSA-N 388.515 4.854 0 40 GJAB Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCN(Cc2ccccc2)CC1 20192871 REBUBYSUEWICLT-AREMUKBSSA-N 396.538 4.779 0 40 GJAB COc1ccc(C2(CNC(=O)c3ccccc3C(F)(F)F)CCCC2)cc1 21691315 ASILQJHUQVXTKH-UHFFFAOYSA-N 377.406 4.956 0 40 GJAB COc1cccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CC[C@@H](C)C4)c1OC 25668314 JEERWSNKHPXLAA-LLVKDONJSA-N 396.512 4.513 0 40 GJAB CC(C)c1cc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2n1 26390699 JQSNRUBHFGOUIQ-KRWDZBQOSA-N 399.498 4.772 0 40 GJAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 27919094 IAVXLKSOZGILRJ-KRWDZBQOSA-N 382.529 4.740 0 40 GJAB CCOc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3ccncc3)s2)cc1 28941220 AODIQWFYQYTWBY-LJQANCHMSA-N 393.512 4.890 0 40 GJAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(-c2nncn2C)c1 31124307 RLURYRVQHUTECK-KRWDZBQOSA-N 398.466 4.555 0 40 GJAB COc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1 32105624 MIZSKMRVQOOOEH-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB COCCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cn1 32827466 JNPWVBKATSCBBF-UHFFFAOYSA-N 399.450 4.574 0 40 GJAB C[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(Br)cc1 32843284 DYRLFSNXBLDBIX-OAHLLOKOSA-N 387.321 4.536 0 40 GJAB Cc1nc(Sc2nnc(C)n2-c2ccccc2C)c2c3c(sc2n1)CCC3 40023344 QRNGZSJDIDBTGG-UHFFFAOYSA-N 393.541 4.837 0 40 GJAB C[C@@H](Oc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cn1)c1ccccc1 48353981 KWQSERJPHZKNOP-OAHLLOKOSA-N 390.439 4.981 0 40 GJAB Cc1ccccc1C(=O)NC1CCN(c2nc(-c3ccccc3)cs2)CC1 58061342 UAPVPRUTOKPBSG-UHFFFAOYSA-N 377.513 4.517 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 59960827 OYWCDWCCWJXQCH-UHFFFAOYSA-N 380.831 4.610 0 40 GJAB C=Cc1ccc(Cn2c(=O)n3nc(-c4cccc(F)c4)nc3c3ccccc32)cc1 65502070 HMDDOZHYWWTVJZ-UHFFFAOYSA-N 396.425 4.542 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)c(C)c2)nc1 67294220 ZOEXKMLGPHDVRJ-LCUIJRPUSA-N 399.450 4.943 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N(C)Cc1ccc(Cl)s1 69433889 QCOOTORJYWTNSZ-UHFFFAOYSA-N 398.290 4.960 0 40 GJAB C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccccc1 70915598 BGAVVPDORCZLJU-XMMPIXPASA-N 387.435 4.525 0 40 GJAB in-vitro CC[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)cs1 72289891 OVNAEPGOVKORSW-INIZCTEOSA-N 382.485 4.708 0 40 GJAB COc1cc(C(=O)NCC2(C)CCCCC2)ccc1OCc1c(C)noc1C 84025391 ZIBJKWKLQQAUOO-UHFFFAOYSA-N 386.492 4.579 0 40 GJAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C\c3ccc(SC)cc3)NC(=O)CN21 97971827 LZNUWSICCOASJN-WHIOSMTNSA-N 378.541 4.608 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2Cl)C[C@H](c2ccccc2O)C1 102601244 YFGMLQVDSWYVQU-FKIZINRSSA-N 392.846 4.702 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)c1 105607132 RRSSXCNPVVKAEE-KRWDZBQOSA-N 380.488 4.651 0 40 GJAB C[C@@H](CC(=O)NCc1cccs1)CC(=O)Nc1cccc(Cl)c1Cl 199419947 FPNRCMWPEKDOBO-NSHDSACASA-N 385.316 4.726 0 40 GJAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 222643704 YBFDBVSBVQHLEY-GOSISDBHSA-N 383.557 4.691 0 40 GJAB O=C(c1cc2cc3ccccc3nc2s1)N1CCN(c2ccc(F)cc2)CC1 223132623 USYNXGRSWDTUPM-UHFFFAOYSA-N 391.471 4.551 0 40 GJAB CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 223332077 NKSZFOPBBCMBAL-UHFFFAOYSA-N 378.560 4.648 0 40 GJAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCC 223345697 GOYSSQZAKRISQV-HSZRJFAPSA-N 380.532 4.863 0 40 GJAB CC[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccccc1C 223932612 GSKGYSYFYJQUTL-IBGZPJMESA-N 375.534 4.865 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224395648 AAXHKFVKFYUOHS-VQTJNVASSA-N 394.519 4.954 0 40 GJAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(N2CCCC2)cc1 224937167 PWFXKNAVEGKPPS-UHFFFAOYSA-N 378.900 4.951 0 40 GJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225703663 QOGHIIAQBOBDDN-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB CC[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(OC)c(C)c1 225815651 MYSVYVRQMPRIKV-KRWDZBQOSA-N 381.394 4.669 0 40 GJAB O=C(c1ccccn1)N1CCCC[C@@H]1c1ccc(Cc2ccc(F)cc2)nc1 257219038 DFJHHFDVSDLGJI-JOCHJYFZSA-N 375.447 4.574 0 40 GJAB Cc1c(NC(=S)NC(=O)C(C)C)cccc1-c1nc2cc(Cl)ccc2o1 408618091 BWHDRXGBTJZGRR-UHFFFAOYSA-N 387.892 4.926 0 40 GJAB CCc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccccc2Cl)cc1 408972196 NGISKHKIMPCNEA-UHFFFAOYSA-N 396.874 4.772 0 40 GJAB Cc1nn(CCNC(=O)C2(c3cccs3)CCCC2)c(C)c1-c1ccsc1 575614705 BSXKTPRWNMARMP-UHFFFAOYSA-N 399.585 4.918 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)Cc2ccccc2F)N1c1cccc(F)c1 1615160336 ZEDOOHUCXBLOIH-SFTDATJTSA-N 384.470 4.556 0 40 GJAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1F 1368483 TXWVOTRWJPQMGM-UHFFFAOYSA-N 393.443 4.701 0 40 GJAB CCOP(=O)(OCC)c1nc(-c2ccccc2)oc1NCc1ccccc1 1797826 CQHQZUBMDSIDND-UHFFFAOYSA-N 386.388 4.845 0 40 GJAB CC(=O)c1ccc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)cc1 3247698 DPUWIVDZGWEKBB-UHFFFAOYSA-N 386.476 4.881 0 40 GJAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1cccc2ccccc12 3291162 RQJQTAYOBLGFJU-UHFFFAOYSA-N 391.442 4.973 0 40 GJAB CCCCC(=O)Nc1c(C(=O)Nc2cc(OC)ccc2OC)oc2ccccc12 4353846 JZMHGEJOURZWDC-UHFFFAOYSA-N 396.443 4.831 0 40 GJAB CCCCOc1cccc(C(=O)N(CCN(C)C)c2nc3ccccc3s2)c1 4585281 YEHUIVGYJLLDBZ-UHFFFAOYSA-N 397.544 4.684 0 40 GJAB Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(OCC(C)C)cc1 4741180 DYSOLSQRYDQZSM-UHFFFAOYSA-N 376.909 4.810 0 40 GJAB CCCCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@@H]1c1ccccc1 4816737 SUFCZIBXMCTZON-RTWAWAEBSA-N 390.487 4.544 0 40 GJAB COCc1cc(C)nc2sc(C(=O)N(C)c3ccccc3)c(-n3cccc3)c12 4932103 ATLGZQZVJAPRFD-UHFFFAOYSA-N 391.496 4.818 0 40 GJAB CCC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)N1CCC[C@H](C)C1 4968272 BEXJYLKRNFENCW-WMLDXEAASA-N 395.473 4.658 0 40 GJAB CC(C)CCOC(=O)[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 5843026 MWJKKWUGTAUTMQ-SFHVURJKSA-N 395.833 4.679 0 40 GJAB CSc1cccc(NC(=O)CCCOc2cccc(Br)c2)c1 6152564 QJUOHUHXTPOCLY-UHFFFAOYSA-N 380.307 4.969 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)CNc1ccccc1N1CCCCC1 6249863 NYSFWPCUHLITPG-UHFFFAOYSA-N 387.911 4.698 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1Cl 6478139 BOVIQGYNJDKIGJ-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 6479851 TYDLAVPQCGUDST-UHFFFAOYSA-N 393.508 4.838 0 40 GJAB Cc1cc(C)n(CCCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 6599915 BHDPJUSEVMHLLL-UHFFFAOYSA-N 384.483 4.535 0 40 GJAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cccc(F)c3)c12 7004117 QKZQBERJCTWJSU-UHFFFAOYSA-N 386.430 4.998 0 40 GJAB aggregator O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(Cl)c(C(F)(F)F)c1 8061223 KFVWIGFFIVMBCW-UHFFFAOYSA-N 395.768 4.980 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8105541 MMLZMLQPNXSYKX-CYBMUJFWSA-N 386.904 4.978 0 40 GJAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1cccc(Cl)c1Cl 8133670 YSIFDXNUWPUGNV-QMMMGPOBSA-N 399.328 4.959 0 40 GJAB Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)n2c(C)ccc2C)cc1 8475591 HOVMKXVKGCNYMW-UHFFFAOYSA-N 380.875 4.728 0 40 GJAB Cc1ccc(SCCC(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 10210659 REXVSICYWHYIJT-CYBMUJFWSA-N 395.883 4.840 0 40 GJAB O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1c1ccc(F)cc1 12136857 CRYHTTWUSJCXIB-ZROIWOOFSA-N 378.222 4.829 0 40 GJAB C[C@@H]1c2ccsc2CCN1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 12553049 VKSABQUVIAQQOB-YLJYHZDGSA-N 379.525 4.774 0 40 GJAB O=C(/C=C/c1cccc(Br)c1)OCC(=O)c1ccc(Cl)s1 12661166 BRLBDBUQSVRVMJ-QPJJXVBHSA-N 385.666 4.603 0 40 GJAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(OC(F)F)cc3)cs2)cc1 12774324 VASLBBGGMOYBCU-UHFFFAOYSA-N 390.411 4.884 0 40 GJAB CCOCc1cc(-c2csc(NC(=O)Cc3ccsc3)n2)ccc1OC 12796021 JJTRGUSWADYZLS-UHFFFAOYSA-N 388.514 4.598 0 40 GJAB Brc1ccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 13682030 LFVROMYLKMVBLQ-UHFFFAOYSA-N 396.273 4.764 0 40 GJAB N[C@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccccc2Cl)o1 16021997 KJVYLKLFUDZPSV-MRXNPFEDSA-N 384.892 4.739 0 40 GJAB CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc4c(c3)OCCO4)nc21 17079895 YXDPUZGJXVYCNF-UHFFFAOYSA-N 391.393 4.997 0 40 GJAB CCOc1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(C)cc1OC 19531801 BPFAWRYIYYIWST-GOSISDBHSA-N 379.504 4.658 0 40 GJAB COc1cccc(CN2CCCC[C@@H]2c2nnc(-c3cccs3)o2)c1OC 19567889 CTEMKHOKRYLJTF-OAHLLOKOSA-N 385.489 4.543 0 40 GJAB O=C(c1ccc2ncccc2c1)N1CCCCC[C@H]2N[C@H](Cc3ccccc3)C[C@@H]21 19712963 ATMXUDLCJUIGEB-GPXOXTDOSA-N 399.538 4.593 0 40 GJAB CN1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3c(Cl)cccc32)CC1 19802488 IHTOAXQINHTNCC-QGZVFWFLSA-N 379.356 4.989 0 40 GJAB CC(C)Oc1cccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 20495821 KGWFMDDFBZFEAX-IBGZPJMESA-N 380.532 4.636 0 40 GJAB CC[C@H](C)NC(=O)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 20573241 ZVUSUSZCVNILHG-SUMWQHHRSA-N 384.867 4.577 0 40 GJAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(C(C)C)cc1)SCC(O)=N2 20718643 JLNRQWBHTSWYKB-GOSISDBHSA-N 379.489 4.518 0 40 GJAB Cc1cc2occ(CC(=O)Nc3cnc4c(c3)c(C)nn4C)c2cc1C(C)C 24032832 OYCAUTMQECFJQO-UHFFFAOYSA-N 376.460 4.636 0 40 GJAB CC(=O)c1ccc(OCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)o2)cc1 27976716 MFLOIIVDYDHVOG-JOCHJYFZSA-N 389.451 4.869 0 40 GJAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1ccn(-c2ccccc2)n1 31807494 DPQXWHVIPBJXDE-UHFFFAOYSA-N 382.395 4.526 0 40 GJAB O=C(Oc1ccc(Cl)c2cccnc12)c1ccccc1OC[C@H]1CCCO1 32492823 ORXPKZUYKZZWKL-CQSZACIVSA-N 383.831 4.665 0 40 GJAB CC(=O)Nc1ccc(CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 32901149 AAJRFTCNNJVOOL-UHFFFAOYSA-N 378.472 4.682 0 40 GJAB COc1ccccc1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl 40142985 OOHWWYGRCFENRP-UHFFFAOYSA-N 379.641 4.845 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc3cccnc23)cc1OC 43529346 ISCZWEMVHMQGQU-SFHVURJKSA-N 377.444 4.621 0 40 GJAB CCc1cc(N)cc(C)c1NC(=O)COc1c(C)cc(C)cc1Br 45890346 MALJXMGNGFGTLV-UHFFFAOYSA-N 391.309 4.536 0 40 GJAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)ccc1OC(F)F 49546176 AQFYMZITHCLFLM-HNNXBMFYSA-N 399.397 4.665 0 40 GJAB CCOC(=O)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 49649293 IOMCEWQTDYRYSG-JOCHJYFZSA-N 380.532 4.945 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)n[nH]2)cc1 51315483 QAZSUTZFZNHPJY-UHFFFAOYSA-N 375.350 4.747 0 40 GJAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccccc2)C4)cc1 54278150 GNAHIWSQNBTPIE-UHFFFAOYSA-N 399.446 4.821 0 40 GJAB biogenic Cc1cc(SCC(=O)Nc2c(C)cccc2C)nc(-c2ccc(F)cc2)n1 57519944 TYWPDDUZPFBSAC-UHFFFAOYSA-N 381.476 4.939 0 40 GJAB CCN(Cc1ccccc1)[C@H](c1ccc(C)cc1)c1nnnn1C1CCCC1 57613812 BIQVNYZTLWYFMB-JOCHJYFZSA-N 375.520 4.708 0 40 GJAB Cc1cc(NC(=O)N2CCC(n3cccc3)CC2)ccc1Oc1cccnc1 58644112 BUGBWALFLOLSHB-UHFFFAOYSA-N 376.460 4.853 0 40 GJAB CCCN(Cc1cc(=O)n2ccccc2n1)[C@H](C)c1ccc(Cl)c(Cl)c1 59404965 UJUPOHMINMNKEI-CQSZACIVSA-N 390.314 4.975 0 40 GJAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)n1nc(-c2ccccc2)ccc1=O 62012617 HPKBBRAUOXGAQD-SFHVURJKSA-N 395.462 4.777 0 40 GJAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc4ccc(=O)oc4c3)oc12 67339472 OHKSJOLKDFXLFX-AATRIKPKSA-N 395.798 4.853 0 40 GJAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2Cc2ccc(F)cc2)n1 72376765 YKQDLPLAQVGKAY-FQEVSTJZSA-N 380.442 4.731 0 40 GJAB Cc1ccc(CNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 113952672 LGPYBRNVFMPDOJ-UHFFFAOYSA-N 391.342 4.830 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)COc1ccccc1C 223030730 UAZVXFFGCZZRHQ-QFBILLFUSA-N 375.896 4.698 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccccc1CN1CCCC1 224757520 TWETYQBNUGFQFY-CSKARUKUSA-N 389.326 4.919 0 40 GJAB Cc1ccc(-c2noc(CNC(=S)Nc3cccc(C(F)(F)F)c3)n2)cc1 225816142 FHQRZMKPAORPAG-UHFFFAOYSA-N 392.406 4.550 0 40 GJAB Cc1cc(CN(C(=O)c2ccc3sc(Cl)nc3c2)C(C)C)c(C)n1C 225985304 UXVUSHQERAFCBL-UHFFFAOYSA-N 375.925 4.956 0 40 GJAB O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 242965430 HLINQNJWQVNWRG-JTQLQIEISA-N 383.662 4.638 0 40 GJAB Cc1ccccc1CC(=O)N1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 306141299 VRDBXMBMXSXKJT-HSZRJFAPSA-N 396.494 4.611 0 40 GJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 408653997 FWFSTQFFGOUEEI-WIYYLYMNSA-N 385.463 4.869 0 40 GJAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccccc1CCc1ccccc1 408714414 QDFHBGDVSUDEFD-UHFFFAOYSA-N 397.478 4.794 0 40 GJAB CCOc1cc(C)c(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1C(C)C 409231719 LRDUMYQWLKONJC-FYJGNVAPSA-N 392.499 4.918 0 40 GJAB Cc1cc2c(cc1-c1ccnc3nc(-c4ccncc4)nn13)NC(C)(C)C[C@H]2C 618256387 ILPBYWQCFFUDOX-OAHLLOKOSA-N 384.487 4.859 0 40 GJAB CCc1cc2c(N[C@@H]3COc4cc(F)c(Br)cc43)ncnc2s1 1642618891 KMAPDFLDTIHIEA-CYBMUJFWSA-N 394.269 4.701 0 40 GJAB CC(C)CN1C(=O)C2(CCN(C3CCCCC3)CC2)C[C@H]1Cc1ccccc1 2037845744 JIYXPRDWPQSBIW-HSZRJFAPSA-N 382.592 4.901 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(F)c(F)c4)c(N)c3cc2C1 661839 LOEHLAZJLCNSQB-JTQLQIEISA-N 387.455 4.924 0 40 GJAB O=C(O)/C(=C\c1cc(Br)cc(Br)c1O)c1ccccc1 1555321 LOQCNXOCQQAMAM-GHXNOFRVSA-N 398.050 4.542 0 40 GJAB COc1ccc([C@@H](CCNCc2ccccc2)c2ccc3c(c2)OCO3)cc1 2137016 SYIISELPZHELBG-JOCHJYFZSA-N 375.468 4.736 0 40 GJAB biogenic CCCCOc1ccc(NS(=O)(=O)c2ccc(OC)c3ccccc23)cc1 2170955 UGCXXLRCJIWBNO-UHFFFAOYSA-N 385.485 4.828 0 40 GJAB CCCCCCc1cc2cc(C(N)=O)/c(=N/c3ccc(OC)cc3)oc2cc1O 2183087 WOSPHJMHSMUWCG-BZZOAKBMSA-N 394.471 4.601 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1 2248733 MMMDBPMXCCJOLS-UHFFFAOYSA-N 393.486 4.828 0 40 GJAB CCCCn1c(N)c(C(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3nc21 2255091 LZCBDYRKXRAKGC-UHFFFAOYSA-N 387.487 4.836 0 40 GJAB Cc1ccc(-n2ncc3c2ncn2nc(-c4cccc(Cl)c4)nc32)cc1Cl 2408999 LZASJEPEUBJBQA-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccc(Cl)cc1 2625589 BYZDSXRPUZSRFG-UHFFFAOYSA-N 388.298 4.785 0 40 GJAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1Cc1ccco1 2642563 KXOCPPRUCJXJDW-UHFFFAOYSA-N 399.497 4.833 0 40 GJAB O=C(COC(=O)/C=C/c1nc2ccccc2s1)Nc1cccc2ccccc12 2644248 XDSWNYBKZFQYME-OUKQBFOZSA-N 388.448 4.645 0 40 GJAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CNc1ccc3c(c1)oc1ccccc13)C2=O 3196677 RNKMIWQDRWSWCD-SBUREZEXSA-N 376.456 4.767 0 40 GJAB O=C(c1ccc(F)cc1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120470 SKZXTHSYGVJTAW-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2 4318504 PPBNDQVMYWIOHV-SOFGYWHQSA-N 395.311 4.685 0 40 GJAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cc(C)ccc3C)c3ccccc32)cc1 4555157 WLBOSVFLYNOLQA-AREMUKBSSA-N 399.490 4.619 0 40 GJAB CC1=NN(c2ccccc2)C(=O)[C@@]12[C@@H]1C=C[C@@H](C1)C2(C(F)(F)F)C(F)(F)F 4859833 VTHZQAOUAHETLH-XUJVJEKNSA-N 388.311 4.712 0 40 GJAB CSc1ccccc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O 5269853 ZMDBJEHLFDUUGW-UHFFFAOYSA-N 384.888 4.524 0 40 GJAB COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(OC)c1 6288977 MKCPUAQQKLYEEG-UHFFFAOYSA-N 399.450 4.809 0 40 GJAB c1ccc(-c2cnc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)o2)cc1 7089161 GBBOINCGZBPYKZ-KRWDZBQOSA-N 393.424 4.529 0 40 GJAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccccc1-c1ccccc1 7577558 IEOOQYZGGCAMGN-CYBMUJFWSA-N 396.541 4.899 0 40 GJAB O=C(Nc1ccnn1Cc1cc(Br)cs1)c1cccc(Cl)c1 7978204 UABFSALTIZYHEX-UHFFFAOYSA-N 396.697 4.661 0 40 GJAB Cc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 9062689 IXIYQTUSWXXABF-UHFFFAOYSA-N 384.951 4.609 0 40 GJAB Cc1ccc2c(CC(=O)N(C)Cc3ccccc3N3CCCC3)coc2c1C 9368228 KWYJYUBHKRLJIJ-UHFFFAOYSA-N 376.500 4.851 0 40 GJAB c1ccc(CN2CCC(CN[C@@H](Cc3ccsc3)c3nccs3)CC2)cc1 12226456 ULNRSJKQQQHYNF-NRFANRHFSA-N 397.613 4.990 0 40 GJAB C[C@@]1(C(=O)Nc2nc(-c3ccccc3Cl)cs2)Cc2ccccc2C(=O)O1 12906516 GTKKWTYLEZALAU-FQEVSTJZSA-N 398.871 4.574 0 40 GJAB Fc1ccc(CSc2nc(Cc3cccs3)n[nH]2)c(Br)c1 12910589 XEFKCLKRCXPPDX-UHFFFAOYSA-N 384.299 4.651 0 40 GJAB C/C=C/c1cc(C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)cc(OC)c1OC 12991503 VVVUNDGQKBPTAH-IZPAUZPXSA-N 397.471 4.711 0 40 GJAB COc1cc(Cl)c(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1OC 15016149 LPLJLUFJAJDZFM-XGICHPGQSA-N 394.652 4.612 0 40 GJAB Cc1ccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)c(C)c1 15825450 UOZZCTIRZXUBQJ-UHFFFAOYSA-N 385.920 4.932 0 40 GJAB Cc1nnc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)s1 16707386 HZGIRRGBMKJVHS-UHFFFAOYSA-N 379.363 4.910 0 40 GJAB C[C@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)C[C@@H](C)O1 16712756 ROEFXBGBQFYOFH-HDICACEKSA-N 384.483 4.701 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2OC(F)(F)F)cc1 16724480 ZPLRQHAFORWROO-UHFFFAOYSA-N 381.350 4.586 0 40 GJAB COc1cc(CN(C(=O)Nc2ccc(F)cc2F)C2CC2)ccc1OC(F)F 17743685 XNMVBOYTGXGPFA-UHFFFAOYSA-N 398.356 4.771 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2cccc(C)c2C)cc1Cl 28183369 AMHWWOUQFOQDEK-UHFFFAOYSA-N 376.909 4.576 0 40 GJAB Cc1ccc(-c2csc(-n3c(NC(=O)Cc4cccs4)cnc3C)n2)cc1 32616177 HMPRARHVZARJCD-UHFFFAOYSA-N 394.525 4.855 0 40 GJAB CCn1c(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)nc2ccccc21 32827311 ZUXWYWHQLKRBHF-UHFFFAOYSA-N 398.466 4.869 0 40 GJAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccccc1Br 32931426 AROZQDNVCMYFIQ-UHFFFAOYSA-N 376.147 4.537 0 40 GJAB CCN(CC)c1ccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)cn1 32933144 WKPAECFDOYHIEM-UHFFFAOYSA-N 395.478 4.576 0 40 GJAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)c1 40152745 SCGMCSCXFBUMGR-LJQANCHMSA-N 388.552 4.801 0 40 GJAB Brc1ccc2c(Br)c(OCC3CCNCC3)ccc2c1 42774545 SHNMXBKTEXKONW-UHFFFAOYSA-N 399.126 4.743 0 40 GJAB Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 44854401 HCAPRIOIMSJHPI-SFHVURJKSA-N 375.516 4.726 0 40 GJAB Cc1cccc(N2CCN([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)c1C 46552155 YUJZVOUMUJFKQI-QGZVFWFLSA-N 396.922 4.890 0 40 GJAB Cc1cc(C(=O)N2CCC(Oc3nc4c(Cl)cccc4s3)CC2)c(C)o1 49432811 KLFZJYKZRBACGX-UHFFFAOYSA-N 390.892 4.843 0 40 GJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1c(C)ccc2nsnc12 57315921 TVAAAZPRWIHULQ-GQCTYLIASA-N 394.283 4.967 0 40 GJAB Cc1cc(C)c(NC(=O)COc2cccc(OCC(F)(F)F)c2)c(Cl)c1 69417653 FZYSIOABWCBBON-UHFFFAOYSA-N 387.785 4.915 0 40 GJAB Cc1ccc(-c2noc([C@H](C)SCc3nc(C(C)(C)C)no3)n2)cc1F 84185386 QFJCXWSDMIVSRU-NSHDSACASA-N 376.457 4.859 0 40 GJAB Cc1ccc2nc(C)cc(C(=O)N[C@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2c1 89657506 GCQANJQBPGDOKZ-FCHUYYIVSA-N 378.447 4.641 0 40 GJAB Cc1cccc(NC(=O)C(=O)N[C@@H](CC(F)(F)F)c2ccc(Cl)cc2)c1C 89686594 SAMULRMSPFGXRG-INIZCTEOSA-N 398.812 4.705 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](COc2ncc(C(F)(F)F)cc2Cl)C1 91364391 YEATWQKDKDGKMM-LLVKDONJSA-N 394.821 4.780 0 40 GJAB COc1ccc(Br)c(CO)c1OCc1ccc(Cl)c(Cl)c1 95095097 ZAKXIYNNAHUFJG-UHFFFAOYSA-N 392.076 4.836 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@H]2c2cccc(F)c2)C[C@@H](c2cccs2)C1 102739440 HFJDMGIHTIYPSS-DIFFPNOSSA-N 382.420 4.899 0 40 GJAB COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)C1 106919188 QWBLPIMTMFGXBJ-IIDMSEBBSA-N 391.920 4.587 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)(C)O)[C@@]4(C)CC(=O)[C@@H]32)C1 118934314 JIYNJJIOOKOMSE-MMDYGOIXSA-N 390.564 4.527 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 136532215 UVIOQQKXVNRIDC-IRXDYDNUSA-N 396.874 4.580 0 40 GJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCN1CCCCCC1 216302264 DAEIPWVKZAHCOI-UHFFFAOYSA-N 389.392 4.609 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(Cl)cc3)o2)cc1 224854425 PYBSJMSAASBOMS-CQSZACIVSA-N 384.863 4.814 0 40 GJAB CC(C)(C)c1ccccc1O[C@@H](Cc1cccc(Br)c1)C(=O)O 225063152 CJWGZILZLIGLOO-KRWDZBQOSA-N 377.278 4.821 0 40 GJAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@H](O)c1csc2ccccc12 225694566 FJXSNVBLCNPGFK-KRWDZBQOSA-N 393.430 4.703 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(C)cc2)cc1 225776431 ZOJLRFVYWHMKBX-UHFFFAOYSA-N 395.484 4.723 0 40 GJAB O=C(NCCCN1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 225777942 VHRVUGKFTSWFDQ-UHFFFAOYSA-N 386.923 4.525 0 40 GJAB CC[C@@H](C)[C@H](NC(=O)c1cc2ccccc2c(=O)s1)c1nc2ccccc2[nH]1 1565519809 IDMKBFVNIZCOMT-YJYMSZOUSA-N 391.496 4.655 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)CCc2ccccc2)CN1c1cccc(F)c1 1615121888 PCMOHTNTIIJSGF-DEOSSOPVSA-N 380.507 4.808 0 40 GJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc2ccccc12 812049 QXATWZITVMEBDZ-UHFFFAOYSA-N 386.407 4.946 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1 882301 LNOAHKLGRKLYOJ-UHFFFAOYSA-N 393.512 4.716 0 40 GJAB Cc1cccc(Oc2coc3cc(O[C@H](C)C(=O)OCC(C)C)ccc3c2=O)c1 942547 JBYHIWCOTILTEG-MRXNPFEDSA-N 396.439 4.860 0 40 GJAB biogenic O=C(COC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccc1 1433009 JVYMTPZWGWZDBA-IAGOWNOFSA-N 377.465 4.772 0 40 GJAB Fc1ccc(OCc2nnc(-c3ccccc3Br)o2)c(Cl)c1 2622405 QWOWEYAAVVYOHE-UHFFFAOYSA-N 383.604 4.871 0 40 GJAB CC[C@H](C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccccc1 3008151 JCLBVOSRYNTGEJ-KRWDZBQOSA-N 381.476 4.891 0 40 GJAB O=C(COC(=O)c1sc2ccccc2c1Cl)NCCC1=CCCCC1 3281890 CEHAPJRKBHPKKG-UHFFFAOYSA-N 377.893 4.718 0 40 GJAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Nc1cccc(C(F)(F)F)c1 3359318 AUTUDPBMJAOGQU-HKUYNNGSSA-N 389.421 4.854 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)o1 3366325 KELDKNHIFCGUJH-UHFFFAOYSA-N 396.402 4.794 0 40 GJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2ccc(F)c(F)c2)cc1 3408212 XGKMQZHJVXSITD-UHFFFAOYSA-N 394.373 4.544 0 40 GJAB Cc1cc(N2CC(=O)N(c3ccc(C(C)C)c(C)c3)CC2=O)ccc1C(C)C 4105326 XYQWFRIXNOBUQD-UHFFFAOYSA-N 378.516 4.930 0 40 GJAB COc1cc(-c2nc3ncccn3c2Nc2cccc(Cl)c2C)ccc1O 4734267 LVXMTNOEGJVWFY-UHFFFAOYSA-N 380.835 4.816 0 40 GJAB CC(C)n1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccco1 4736093 YIYLHRXVYQVSDO-UHFFFAOYSA-N 376.869 4.503 0 40 GJAB Cc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccccc3Cl)C2)cc1 4859971 AXZOVNJNIIUROP-LJQANCHMSA-N 384.863 4.581 0 40 GJAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccoc1C 4860667 NVKAGQTWVQIDNR-UHFFFAOYSA-N 392.484 4.750 0 40 GJAB CCC(CC)C(=O)Nc1cc(C)cn(Cc2cccc(C(F)(F)F)c2)c1=O 5000934 QQLKWULCYYJEHQ-UHFFFAOYSA-N 380.410 4.599 0 40 GJAB Cc1cccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1C 5147345 RCSWGYIEHUKAPN-UHFFFAOYSA-N 379.460 5.000 0 40 GJAB COc1ccc(CN(Cc2ccco2)C(=O)c2cc3cc(F)ccc3[nH]2)cc1 5345686 FNKNSCCYIJYYDV-UHFFFAOYSA-N 378.403 4.751 0 40 GJAB O=C(COC(=O)c1cc2ccccc2[nH]1)Nc1cc(Cl)c(Cl)cc1Cl 5532120 HJUJUIIFCKKPHN-UHFFFAOYSA-N 397.645 4.924 0 40 GJAB Cc1nnc(S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)O)[nH]1 5721336 XZIXQJWMYHVUKC-VGOFMYFVSA-N 396.255 4.898 0 40 GJAB Cc1c(Cc2ccccc2)sc(NC(=O)c2ccccc2Cl)c1C(N)=O 5724577 KSKNCJZEYPLMDQ-UHFFFAOYSA-N 384.888 4.652 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)n3)c3ccccc3n2)cc1OC 5936109 LUORTPONIIIQQZ-UHFFFAOYSA-N 399.450 4.875 0 40 GJAB O=C(CCSc1ccc(Cl)cc1)OCc1nc(-c2cccs2)no1 7160389 BBQOESVIOJLLTP-UHFFFAOYSA-N 380.878 4.677 0 40 GJAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 7763781 KPBPGELYDDYUKI-CQSZACIVSA-N 398.557 4.653 0 40 GJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1OC 7883961 NTXSUVOKIKQXOP-QHCPKHFHSA-N 388.467 4.779 0 40 GJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)COc3ccccc3C)ccc1O2 9135085 MYRBWXUGFWVQKT-UHFFFAOYSA-N 388.423 4.679 0 40 GJAB COc1ccccc1-c1noc(CSc2nccn2-c2ccc(C)c(C)c2)n1 10271186 JLPHJZCIQMUMJG-UHFFFAOYSA-N 392.484 4.840 0 40 GJAB O=C(c1ccccc1Br)N1CC=C(c2c[nH]c3ccccc23)CC1 11071466 UIDVWNHTZFKMBU-UHFFFAOYSA-N 381.273 4.860 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccncc1 12528319 IBOIAFLXOZPADF-UHFFFAOYSA-N 376.456 4.928 0 40 GJAB C[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1cccc2ccccc12 12782964 QZLLALGWMDJYLB-DYESRHJHSA-N 375.468 4.889 0 40 GJAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1OC 14649340 CTIUBNYXXYJYNE-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB CCSc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 16838454 FEXVPKMBYJYHBP-UHFFFAOYSA-N 382.510 4.878 0 40 GJAB CN(C(=O)Cc1ccc2[nH]cnc2c1)c1nc(-c2ccc(Cl)cc2)cs1 19662468 APDXFQISYNSSLK-UHFFFAOYSA-N 382.876 4.545 0 40 GJAB C[C@H]1CCC[C@H](N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)C1 19841872 RYYHMGASSLYPIG-REWPJTCUSA-N 376.544 4.541 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20137148 CXWYXSBARSFMQA-UHFFFAOYSA-N 376.239 4.927 0 40 GJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)c1 20142242 OCAIJQPNDIRMMX-OAHLLOKOSA-N 395.455 4.877 0 40 GJAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)C1 24967471 GFISXTLQLXURPB-JHJVBQTASA-N 397.466 4.634 0 40 GJAB CCc1ccc(O)c(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)[nH]n2)c1 27749900 AGUOHTKRNFSQRU-UHFFFAOYSA-N 375.350 4.616 0 40 GJAB O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccccn2)nc2ccccc12 31812768 UUVDXFVPHWSBKK-UHFFFAOYSA-N 375.815 4.908 0 40 GJAB OCc1ccc(OCc2ccc3ccccc3c2)c(I)c1 34772795 XORDWYYIQUWXEL-UHFFFAOYSA-N 390.220 4.516 0 40 GJAB O=C(NCCOc1cccc2ccccc12)c1ccc(Br)cc1F 40155996 JOCHRULKZAWTCD-UHFFFAOYSA-N 388.236 4.550 0 40 GJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 41108835 AXQZQHLFEWMJJS-GZTJUZNOSA-N 393.782 4.643 0 40 GJAB CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)c(C)c1 44856494 KBHAMXYOIWBQCC-FYYLOGMGSA-N 382.523 4.922 0 40 GJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875277 VUWCKVJHUGNTQN-HXUWFJFHSA-N 394.559 4.880 0 40 GJAB Cc1cccc(CN(Cn2nc(-c3ccccc3)c3ccccc3c2=O)C2CC2)c1 48340432 UJESNOUDIYGUST-UHFFFAOYSA-N 395.506 4.994 0 40 GJAB Cc1cc(NC(=O)[C@H](Sc2c(F)cc(F)cc2F)c2ccccc2)no1 54486762 PMNOAFFRKPUSSQ-MRXNPFEDSA-N 378.375 4.872 0 40 GJAB COc1cccc2cc([C@@H](C)NC(=O)c3ccn(-c4cccc(Cl)c4)n3)oc12 58393420 RRRCFFYLYGEHGX-CYBMUJFWSA-N 395.846 4.772 0 40 GJAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1ccc(-c2cnco2)cc1 65813588 MNNIUNOMDXIEOR-UHFFFAOYSA-N 382.832 4.766 0 40 GJAB CCN(CC)Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3cc(C)ccc3[nH]2)o1 72346793 DXTJZKYTAUIWFO-HXUWFJFHSA-N 394.519 4.674 0 40 GJAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)C12CC3CC(CC(C3)C1)C2 90613579 KBJGYZWQCQCPKT-BAMAOYLXSA-N 387.570 4.724 0 40 GJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC(O)(c2ccc(Cl)cc2)CC1 95479886 HZTJCYSCSYITSU-UHFFFAOYSA-N 396.918 4.654 0 40 GJAB CCc1nc(S/C(=C\c2ccc(-c3cc(Cl)ccc3C)o2)C(=O)O)n[nH]1 213391371 HHTTVRRDOFEERJ-DHDCSXOGSA-N 389.864 4.807 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219359233 QZMIHVUHJZEUJU-VQTJNVASSA-N 383.488 4.580 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C 222916446 RGDVFRCKWLLUPY-HXUWFJFHSA-N 383.488 4.875 0 40 GJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C)c1 223932573 WLMFLNBGXVMQBE-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccccc1C(C)C 224563689 DZILZXOGLJMJAW-HXUWFJFHSA-N 397.515 4.697 0 40 GJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)ccc1F 224895982 FODVREZFHKCKCP-LEWJYISDSA-N 394.519 4.662 0 40 GJAB COc1cccc(OC)c1CCC(=O)N(Cc1ccccc1)Cc1ccccc1 225995549 JEOCYETZFISHKS-UHFFFAOYSA-N 389.495 4.865 0 40 GJAB COc1ccc(-n2c(O)c3c(nc2=S)-c2ccccc2CC32CCCC2)cc1 238997322 AEUHVSSXWSNASS-UHFFFAOYSA-N 390.508 5.351 0 40 GJAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(OC)cc2F)C1 257272804 NDYFWSHLJWYFGK-VWPQPMDRSA-N 389.442 4.851 0 40 GJAB CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)COC)c(Cl)c2)CCC[C@H](C)C1 260818244 ZYBWDZHVSVXTSK-AUSJPIAWSA-N 383.916 4.678 0 40 GJAB CC[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)c(C)c3)[C@@](O)(C(F)(F)F)[C@H]2C1 409183020 RJMZRRHAKNHWPS-ZUCKAHLUSA-N 388.817 4.537 0 40 GJAB O=S(=O)(Nc1cccc(O)c1)c1ccc(Oc2ccccc2Cl)cc1 534973183 WMVATXXTNGVOFQ-UHFFFAOYSA-N 375.833 4.639 0 40 GJAB Cc1ccc(C2CCN(C(=O)NCc3ccc(-c4cccnc4)cc3)CC2)cn1 543041275 QEKAQCFGDAEKHM-UHFFFAOYSA-N 386.499 4.541 0 40 GJAB CC(C)N1CCN(c2cccc(N[C@@H](c3ncc[nH]3)C3CCCCC3)c2)CC1 552281523 AFYLRODGWNWNFM-JOCHJYFZSA-N 381.568 4.674 0 40 GJAB O=C(NCCOc1ccc(F)cc1)c1ccccc1SCc1ccccc1 2345935 WSZYPQKVIRJAOU-UHFFFAOYSA-N 381.472 4.927 0 40 GJAB Cc1nc(N2CCN(c3ccccc3)CC2)c2oc3ccc(Cl)cc3c2n1 2417952 PQCNWMDFHGPGRA-UHFFFAOYSA-N 378.863 4.664 0 40 GJAB CCCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 3140509 HBHDZCUKQGILOP-UHFFFAOYSA-N 396.800 4.598 0 40 GJAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 3217353 LHFJQPRYMWCGGG-UHFFFAOYSA-N 379.843 4.654 0 40 GJAB O=C(COc1ccccc1Cl)OCC(=O)c1ccc(-c2ccccc2)cc1 3343933 ZYEODJWQJVSLPA-UHFFFAOYSA-N 380.827 4.812 0 40 GJAB CC(C)c1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1 3371046 NBNFJNPOXBZXLG-UHFFFAOYSA-N 380.271 4.841 0 40 GJAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cc2ccccc2oc1=O 4063018 ATJNTTAJBCUGKR-UHFFFAOYSA-N 399.431 4.717 0 40 GJAB COCCn1c(SCc2ccc(C)cc2)nnc1-c1c[nH]c2ccccc12 4138683 OOHWFSTVLPUIMO-UHFFFAOYSA-N 378.501 4.674 0 40 GJAB Cc1ccccc1-c1nsc(SCC(=O)Nc2cccc(Cl)c2)n1 4167449 BCFQVCQUSBMKPJ-UHFFFAOYSA-N 375.906 4.898 0 40 GJAB CCC(=O)N(CCCN(CC)CC)c1nc(-c2ccc(Cl)cc2)cs1 4214936 ORKONTGGSCIKMV-UHFFFAOYSA-N 379.957 4.938 0 40 GJAB Cc1ccccc1Cc1nnc2sc(-c3cc(F)c(Cl)nc3Cl)nn12 4667820 CGDUUTYUUMUYFS-UHFFFAOYSA-N 394.262 4.593 0 40 GJAB COc1cccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3ccccc32)c1 4937203 MUWISHRNLNVWPP-UHFFFAOYSA-N 397.474 4.906 0 40 GJAB COc1ccc(Cc2nnc3sc(/C=C/c4ccc(C)c(C)c4)nn23)cc1 5013900 FULLHPXMIRTIIV-DHZHZOJOSA-N 376.485 4.572 0 40 GJAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(C(C)C)cc1 5100899 UMBFGWSVXWGLKB-QFQXNSOFSA-N 375.449 4.896 0 40 GJAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cc(F)ccc1F 5111124 YHEIRHLOFXMAQN-UHFFFAOYSA-N 383.350 4.553 0 40 GJAB COc1cc(C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/[C@H](O)[C@@H]2C(C)C)ccc1O 5638781 OLJDCWYDXLXFJK-PYXRDPDGSA-N 388.504 4.636 0 40 GJAB Cc1ccc([C@H](OC[C@H](O)CN[C@@H](C)c2ccccc2)c2ccccc2)cc1 6300650 UTLMVRAUAPUKKC-BUUDZMLXSA-N 375.512 4.813 0 40 GJAB CC(=O)c1ccccc1NC(=O)CSc1nnc(Nc2cccc(C)c2)s1 6623623 GNKCVYNOMUXLHA-UHFFFAOYSA-N 398.513 4.524 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(CC(F)(F)F)[C@@H](C)C1CC1 6880357 FEUDDWQXRSZZBE-LBPRGKRZSA-N 385.817 4.637 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 7929430 ARJQUSHKKUUNJV-HNNXBMFYSA-N 385.891 4.986 0 40 GJAB CCN(C(=O)CSc1nnc2cc(C)c3ccccc3n12)c1cccc(C)c1 7996549 ODZJDUPLTBHOCJ-UHFFFAOYSA-N 390.512 4.645 0 40 GJAB Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 8321327 YGUWNRPKPFQZCE-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB Cc1ccc2nc(SCc3nc4cccc(C)n4c3Br)[nH]c2c1 8558687 UAUVRGXFRIANDV-UHFFFAOYSA-N 387.306 4.882 0 40 GJAB COc1cc(N)c(Cl)cc1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 10551069 UUAQPUMOFAFALT-UHFFFAOYSA-N 393.226 4.596 0 40 GJAB COc1ccc([C@@H](NC(=O)c2cc(C3CCCCC3)no2)c2ccncc2)cc1 12148480 GKWZFWMAILCGRT-JOCHJYFZSA-N 391.471 4.645 0 40 GJAB CCN(C(=O)[C@H](C)Sc1nnc(C)n1C1CC1)c1cccc2ccccc12 12803513 VHYWGSLKORKSGM-AWEZNQCLSA-N 380.517 4.608 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)NC(C)C)c(N)c3c(C(F)(F)F)c2C1 12858008 PHINMBXNXHGNBE-SECBINFHSA-N 385.455 4.550 0 40 GJAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccc(C)s3)s2)cc1 13013206 XMGOHQHONOSBAE-DHDCSXOGSA-N 389.933 4.883 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)C(C)(C)C 14405140 CIRNCTGUOQJRJO-UHFFFAOYSA-N 390.487 4.726 0 40 GJAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 15832065 NCCXJNXZTWZBJJ-KRWDZBQOSA-N 378.472 4.618 0 40 GJAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCCC2)o1 15860418 YVPSOAQWARIAHC-SFHVURJKSA-N 384.451 4.739 0 40 GJAB O=[S@](Cc1ccccc1)/C(=C\NC(=S)Nc1ccccc1)c1ccccc1 17223557 XKXNSSGXGWFECQ-LOCLXGAKSA-N 392.549 4.921 0 40 GJAB Fc1ccc(-c2nnc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)o2)cc1 19928778 WYDVNNCNVSHTQS-UHFFFAOYSA-N 387.827 4.607 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(Cl)c1 20109152 YQCDARJWSWPBHA-UHFFFAOYSA-N 389.879 4.832 0 40 GJAB CCC[C@@H](C(=O)Nc1ccc(N2CCN(CC)CC2)c(C)c1)c1ccccc1 22068221 WKFVEEPKUOWFDP-JOCHJYFZSA-N 379.548 4.659 0 40 GJAB O=C(c1cccc(CSc2cc(Cl)ccc2Cl)c1)N1CCOCC1 25969626 AEPWSSMYNWANDR-UHFFFAOYSA-N 382.312 4.758 0 40 GJAB CC(C)c1noc([C@@H](C)Sc2nnc(N3CCCCC3)n2-c2ccccc2)n1 27812829 AUSVLUXUKSNGSH-OAHLLOKOSA-N 398.536 4.617 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 28236404 SMQLULVBWVGKNO-UHFFFAOYSA-N 385.803 4.801 0 40 GJAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(CSc2ccccc2)cc1 31037978 FWHVVBHRJWSJJV-IBGZPJMESA-N 391.492 4.549 0 40 GJAB CCc1nc(CSc2nnc(-c3ccccc3Br)o2)cs1 31702203 IDBGREKBTTXOTR-UHFFFAOYSA-N 382.308 4.810 0 40 GJAB O=C(N[C@H](c1ccccc1)C1CCCCC1)C1CCN(C(=O)c2ccoc2)CC1 31798194 HGPWOXYNMJUIBI-JOCHJYFZSA-N 394.515 4.570 0 40 GJAB C[C@H](NC(=O)c1ccccc1OC[C@@H]1CCCO1)c1cccc2ccccc12 32491328 ZIFUWYOIXMJPLK-HKUYNNGSSA-N 375.468 4.889 0 40 GJAB Cc1cc(C)n(-c2ccccc2NC(=O)N(Cc2ccco2)Cc2ccco2)n1 40104894 LLGRHXYMHLRUKG-UHFFFAOYSA-N 390.443 4.909 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 44846662 GJRVUFMTNPIJOD-SFHVURJKSA-N 375.852 4.540 0 40 GJAB c1cc(-c2ccc(-c3noc([C@@H]4CCCN4C4CCCCC4)n3)cn2)ccn1 49155478 RIJJMRBBPUNKOA-FQEVSTJZSA-N 375.476 4.663 0 40 GJAB biogenic,in-vitro O=C(NCc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2Cl)[nH]n1 57413540 WVTUSWYYVJKXRV-UHFFFAOYSA-N 379.769 4.679 0 40 GJAB O=C(C[C@H]1CCCN1C(=O)c1ccc(-n2cccc2)c(F)c1)c1cccs1 79045261 JNGGZJZQJUCSOI-MRXNPFEDSA-N 382.460 4.556 0 40 GJAB O=C(Nc1ccnn1Cc1ccccc1)c1cc2cc(Br)ccc2o1 89840910 REDCMFCTQSEHPL-UHFFFAOYSA-N 396.244 4.692 0 40 GJAB C[C@@H](NC(=O)Nc1ccccc1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 96297068 LONFRJICPFIJBJ-LLVKDONJSA-N 385.807 4.576 0 40 GJAB biogenic,in-vitro O=C(/C=C\c1ccc2c(c1)OCO2)N1CCc2sccc2[C@@H]1c1cccs1 96920692 UYXGAPLXORYZNP-CIRMQIMFSA-N 395.505 4.726 0 40 GJAB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1Cl 107101809 ILTOIXOMKDDBRC-UHFFFAOYSA-N 380.271 4.689 0 40 GJAB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)c1 219300541 SBRNQVWNLVUEID-QGZVFWFLSA-N 393.487 4.594 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 222929340 XSBGCJJDIDYZOE-SFTDATJTSA-N 376.529 4.501 0 40 GJAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 223412200 ZOBOOWLVRIQGSJ-NRFANRHFSA-N 386.923 4.736 0 40 GJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H](C)c1ccccc1 224198544 PFQXKVIPFLEQEZ-VKZJTJHYSA-N 390.508 4.705 0 40 GJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)c1 224521694 JTXUMECSRIAKSU-NHCUHLMSSA-N 392.528 4.650 0 40 GJAB CC[C@@H](NC(=S)Nc1cc(C(=O)OC)ccc1Cl)c1ccc(OC)cc1 225489167 QOZNDCLVAKZGED-MRXNPFEDSA-N 392.908 4.573 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(F)cc1 257353592 RZVKAWNUVBFUSF-CNPJFBIHSA-N 375.528 4.865 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 408673441 WWAFHUDVBWMWKC-SFHVURJKSA-N 379.500 4.950 0 40 GJAB Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 654059002 VEIDWDYOKMIQFR-AEFFLSMTSA-N 393.409 4.679 0 40 GJAB Cc1ccccc1CC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 1521672180 HPIAAFQYWSYUPY-QFIPXVFZSA-N 386.486 4.548 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccc(F)cc2F)N1c1cccc(F)c1 1615160011 WPQMHANXOKDKNR-PMACEKPBSA-N 388.433 4.766 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2C)cc1 872579 LGFICPIHJNDDMG-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB CC(=O)N(CC[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccccc1 915658 ZQGNEOAQFLEKOW-QHCPKHFHSA-N 387.479 4.986 0 40 GJAB Cc1ccc(-c2csc3ncn(CC(=O)c4cccs4)c(=O)c23)cc1C 1290888 JPJOMNXLODUWTM-UHFFFAOYSA-N 380.494 4.686 0 40 GJAB COc1cc(-n2nnnc2-c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl 1392314 SZULFHQAOIMQEU-UHFFFAOYSA-N 389.164 4.664 0 40 GJAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1cc(Cl)ccc1Cl 2644678 PMOZBTIEAXRDIP-VIFPVBQESA-N 395.267 4.787 0 40 GJAB Cc1c(NC(=O)COc2ccccc2)cccc1-c1nc2cccnc2s1 2961543 MZPWGVCZXPHJMG-UHFFFAOYSA-N 375.453 4.684 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(F)c(F)cc1Cl 3244799 ZBROKKOICDIZPD-PEBVRCNWSA-N 388.838 4.779 0 40 GJAB C=C1C[C@H]2[C@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 4024887 YCDZXIYKJHQMIG-YLNXRLNMSA-N 384.516 4.575 0 40 GJAB biogenic C[C@]12CC[C@@H]3c4ccc(OCc5ccc(F)cc5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O 4027829 GWXDJKCRYNAAKC-RIQJQHKOSA-N 396.502 4.593 0 40 GJAB biogenic COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)c(OC)c1 4064696 HHQJJPINVCIKAC-HVCNVCAESA-N 395.543 4.881 0 40 GJAB biogenic O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1cccs1 4071250 WRUIRQJMOJKAAW-UHFFFAOYSA-N 386.270 4.994 0 40 GJAB CSc1ccc(NC(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 4886157 CBCGEOMMSIECBT-IHWFROFDSA-N 381.545 4.726 0 40 GJAB O=C(O[C@@H](C(=O)NCCc1ccccc1)c1ccc(Cl)cc1)c1cccs1 4901632 CZLWPJXPPOEGNG-LJQANCHMSA-N 399.899 4.659 0 40 GJAB COc1ccc(-c2cn3c(CC(=O)Nc4cccc(C)c4)csc3n2)cc1 5146867 GDVLGUXUQMXWHM-UHFFFAOYSA-N 377.469 4.561 0 40 GJAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)C1(c2ccc(F)cc2)CCCC1 5205301 XWJJHMVJPKAIIW-UHFFFAOYSA-N 395.474 4.710 0 40 GJAB CCCOC(C(=O)O[C@@H]1CC[C@H]2CC[C@@H]1N2C)(c1ccccc1)c1ccccc1 5785209 HKGIWDBWRYKYTC-XPWALMASSA-N 393.527 4.525 0 40 GJAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C 5825428 MSXPAEFWLFZBIA-KRWDZBQOSA-N 379.287 4.695 0 40 GJAB Cc1ccc(-n2c(S)nnc2[C@@H]2C[C@H]2c2ccccc2)c(Br)c1 6275865 WIAZWOYOSAORQE-UONOGXRCSA-N 386.318 4.898 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1C 6574260 UUEQFFJGMQREJN-UHFFFAOYSA-N 381.545 4.667 0 40 GJAB O=C(CCCOc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 6587526 RMKRBXDMENNNHP-SFHVURJKSA-N 396.512 4.668 0 40 GJAB Cc1ccc(F)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 6790558 OQUGBEDNNVOLFH-OAQYLSRUSA-N 376.431 4.634 0 40 GJAB O=C(COc1ccccc1-c1ccccc1)Nc1ccnn1Cc1cccs1 7793938 PYPDPSWFVGTCDS-UHFFFAOYSA-N 389.480 4.677 0 40 GJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cc(C2CC2)nc2ccccc12 8430393 HSOIMNFUTQPJHB-UHFFFAOYSA-N 385.511 4.638 0 40 GJAB CCc1cccc(CC)c1NC(=S)N1CCn2cccc2[C@@H]1c1cccnc1 8685152 IOKLESHEGBRGIK-QFIPXVFZSA-N 390.556 4.810 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 9048229 GNZXPUMZOXMWLK-TZIWHRDSSA-N 385.891 4.796 0 40 GJAB Cc1cccc(CCCNC(=O)CSCc2ccccc2Br)c1 10110622 CUXHRCUCKRMVJS-UHFFFAOYSA-N 392.362 4.740 0 40 GJAB O=C(CS[C@H]1CCc2ccccc2N=C1O)Nc1ccc(F)c(Cl)c1 11865823 IVVPCNJBFLLENI-INIZCTEOSA-N 378.856 4.754 0 40 GJAB COc1cccc(F)c1-c1nc(C)c(C(=O)Nc2ccc3[nH]ccc3c2)s1 12390830 FTSVZCYAZXVGEU-UHFFFAOYSA-N 381.432 5.000 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(c2ccccc2)CC1 12592638 DSHCKYLKEIFGSZ-UHFFFAOYSA-N 397.931 4.734 0 40 GJAB CCc1ccc(-c2csc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)n2)cc1 12617448 HEGUNFUYWWETLA-GOSISDBHSA-N 384.888 4.968 0 40 GJAB CC(C)(C(=O)NCCSc1ccc(Br)cc1)c1ccccc1 12749687 YJLIQAZZQPBBIK-UHFFFAOYSA-N 378.335 4.635 0 40 GJAB Cc1ccc(SCCNC(=O)c2ccccc2NC(=O)c2cccs2)cc1 12783704 GLRUGOLZMVVWCN-UHFFFAOYSA-N 396.537 4.831 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 13017310 ANBGOIHEMLIOQV-LLVKDONJSA-N 383.300 4.546 0 40 GJAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C(C)(C)C 13688734 QKAYAQQBRRSNQY-UHFFFAOYSA-N 390.549 4.641 0 40 GJAB CCOc1ccc(NC(=O)c2c(N)n(C(=O)c3ccccc3)c3ccccc23)cc1 16777530 ZTABPFBSXFUYDK-UHFFFAOYSA-N 399.450 4.563 0 40 GJAB CCCc1cc(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)cs1 19525237 OIKHVISEYTULHM-UHFFFAOYSA-N 398.572 4.636 0 40 GJAB Cc1ccc(CSc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2N)cc1 19797124 HMDXSCDYPSMXHR-UHFFFAOYSA-N 397.500 4.579 0 40 GJAB COc1ccc(Cl)cc1C(=O)N(Cc1ccc(Br)cc1)C1CC1 25093743 KRCZYOIGTYCBCT-UHFFFAOYSA-N 394.696 4.916 0 40 GJAB C[C@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1cccc2ccccc12 26246751 ZMKNBHCKSPZYMO-LAUBAEHRSA-N 375.468 4.889 0 40 GJAB COCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(C)cc3)o2)C[C@H]1C(C)C 30883108 VQERQRGRJPKCGD-FKBYEOEOSA-N 397.563 4.678 0 40 GJAB biogenic,in-vitro COc1cccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 36246192 INVIMDGIYVJCCT-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB Cc1nc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)oc1C 40158015 ALOCRKNUZYRMFE-UHFFFAOYSA-N 378.453 4.912 0 40 GJAB O=C(CCCCc1nc2ccccc2s1)N1CCO[C@H](c2ccc(F)cc2)C1 44709345 HAVYFYZZAZAHSJ-IBGZPJMESA-N 398.503 4.748 0 40 GJAB CCCCOc1ccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)cc1 57315632 QPZHQHODPNWXIB-UHFFFAOYSA-N 393.512 4.849 0 40 GJAB Cc1cccc(NC(=O)CSc2cc(Oc3cc(C)cc(C)c3)ncn2)c1 57519717 IEMCMKOQZWCATH-UHFFFAOYSA-N 379.485 4.925 0 40 GJAB Cc1c(CCC(=O)NC(C)C)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 62001428 JOLIRZBYIWKEBG-UHFFFAOYSA-N 397.515 4.587 0 40 GJAB biogenic CC(=O)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215597 DGTFAKHVAGAEEH-IBGZPJMESA-N 387.524 4.839 0 40 GJAB CC1=C[C@@H](CNC2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 72320804 GILBSEJPUHJENU-ZJOUEHCJSA-N 381.564 4.729 0 40 GJAB biogenic,in-vitro O=C(Cc1ccccn1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349475 HPXMISQJWDKCNT-GOSISDBHSA-N 391.902 4.746 0 40 GJAB Nc1c(Br)cc2nc(-c3ccccc3F)oc2c1Br 73640061 UIVPCRYJFOBCFJ-UHFFFAOYSA-N 386.018 4.741 0 40 GJAB O=C(N(CCc1cccs1)Cc1ccco1)C1(c2ccccc2)CCOCC1 77183956 AXEUUVATQRSYRT-UHFFFAOYSA-N 395.524 4.661 0 40 GJAB CC(C)c1cnc(CSc2nc(-c3ccccc3Br)n[nH]2)o1 84630755 UYUMZKVBKHGHPM-UHFFFAOYSA-N 379.283 4.638 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC[C@H](C(=O)O)C4)cc3)sc2c1 85388480 OUAZWUKQRHZQNC-CABCVRRESA-N 380.469 4.711 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)n1c(-c2cccs2)n[nH]c1=S 95392596 NZFCWHQILKCGKU-JTQLQIEISA-N 378.910 4.831 0 40 GJAB CC(C)[C@@H](N[C@H](C)c1ccc(I)cc1)c1ccccn1 95968215 XRGUYVBLPUTUHF-CXAGYDPISA-N 380.273 4.734 0 40 GJAB CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 96053308 NCYUHKXZIUUONS-SFHVURJKSA-N 398.572 4.564 0 40 GJAB Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)sc2C)c(C)c1 102342961 BRUNFBNOKYQHBL-LAQRGFTBSA-N 396.512 4.587 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 103717956 YGQBEIUWXWZSGP-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(C)cc1 224119933 ACMCFKCOSOPQKL-UHFFFAOYSA-N 375.468 4.555 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COCC(C)C)c2)cc1 224739514 PHJQTMQIWABWLQ-UHFFFAOYSA-N 399.487 4.687 0 40 GJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 224858657 KGZVTTAOAQWORR-ROUUACIJSA-N 385.876 4.519 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(C)cc(C)c3)o2)c(OC)c1 224866726 NIXPFIDGOVWEKK-UHFFFAOYSA-N 380.444 4.547 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1 225521824 LPTAITHWFCKMEQ-HXUWFJFHSA-N 392.499 4.626 0 40 GJAB CC(C)CN1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)CC1 257208158 BKZOMBFGUOADCY-UHFFFAOYSA-N 393.575 4.554 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)n1 257284331 PCGFNVZLOFVWBS-QGZVFWFLSA-N 395.890 4.642 0 40 GJAB CCOc1c(I)cc(CNc2cccc(C)c2)cc1OC 409117378 LOUZWSWCZOPPFU-UHFFFAOYSA-N 397.256 4.619 0 40 GJAB Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)s1 585100595 OZFAVUAHRUVFPS-QFIPXVFZSA-N 389.609 4.687 0 40 GJAB CC(C)[C@@H]1CC2(CCN(Cc3cncn3C)CC2)CO[C@H]1c1ccc(F)cc1 1616179254 ZNBPZQPYELAZRD-VXKWHMMOSA-N 385.527 4.575 0 40 GJAB Cc1cc(Br)c(O)c(NC(=O)C2CC(c3ccc(F)cc3)C2)c1 1631609694 XIANRQOUUDINKK-UHFFFAOYSA-N 378.241 4.735 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)CCc3cccc(F)c3)CC[C@@H]2N1c1cccc(F)c1 2037978209 IJZKCSYPRQRGCA-GCJKJVERSA-N 398.497 4.803 0 40 GJAB CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1025381 SAUIKQUJKUCXCB-OAHLLOKOSA-N 395.406 4.971 0 40 GJAB O=C(c1cccs1)c1nn(-c2ccc(Cl)cc2)c2nc3ccccc3n12 1104911 GCERVBMCXOVULI-UHFFFAOYSA-N 378.844 4.619 0 40 GJAB Cc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C 3238927 LJBJQGRREHRIJV-ZDUSSCGKSA-N 396.270 4.559 0 40 GJAB COc1cc(-n2c(-c3ccccc3)cn3c4ccccc4nc23)cc(OC)c1OC 3290219 SKYRXGJBXGBJBZ-UHFFFAOYSA-N 399.450 4.971 0 40 GJAB CCOc1ccccc1NC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 3472558 PDLXMCHUBIBJLR-UHFFFAOYSA-N 396.443 4.530 0 40 GJAB CCOCc1c(C(=O)OCc2cc(C(C)=O)ccc2OC)oc2ccccc12 3544047 PRGBGFBZFAOGIM-UHFFFAOYSA-N 382.412 4.538 0 40 GJAB O=C(/C=C/c1ccco1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 4076031 JQHPATIDMZKJBA-VOTSOKGWSA-N 378.375 4.998 0 40 GJAB CC1(C)CC(=O)c2sc(NC(=O)c3cc(Cl)sc3Cl)nc2C1 4174176 HUGXAPPPRFYEJU-UHFFFAOYSA-N 375.302 4.919 0 40 GJAB CN(C)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(F)cc2s1 4359167 MRGOUHVUTWOOBL-UHFFFAOYSA-N 397.519 4.523 0 40 GJAB NC(=O)c1oc2ccccc2c1NC(=O)CC(c1ccccc1)c1ccccc1 4852004 FUWWPRLFYZMMKQ-UHFFFAOYSA-N 384.435 4.692 0 40 GJAB O=C(CC1CCCC1)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 4979907 IKWYOXXQHLPUET-UHFFFAOYSA-N 392.908 4.660 0 40 GJAB CCOc1ccc(-c2nnc(SCC(=O)c3cc(C)n(C4CC4)c3C)o2)cc1 5170193 PJKWJISNRLSNAC-UHFFFAOYSA-N 397.500 4.864 0 40 GJAB O=C(COC(=O)Cc1ccccc1F)Nc1cc(Cl)c(Cl)cc1Cl 5781000 ALBPHUWIGTVLQJ-UHFFFAOYSA-N 390.625 4.510 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)cc1C 6477981 YVHFCWJVGGYPSB-UHFFFAOYSA-N 392.484 4.576 0 40 GJAB CCc1ccc(Nc2nnc(S[C@H](C(=O)N(C)C)c3ccccc3)s2)cc1 6830498 UICWMPXLKWRQEE-KRWDZBQOSA-N 398.557 4.766 0 40 GJAB COc1cc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc(OC)c1OC 6948461 JHCQTFXXRPMENV-UHFFFAOYSA-N 398.484 4.705 0 40 GJAB Cc1occc1-c1nnc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)o1 7195556 QIHKFWSIHMQQLG-JGGQBBKZSA-N 378.494 4.734 0 40 GJAB CCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccc(Cl)cc1 8253940 SIANWSBYQWENIA-UHFFFAOYSA-N 398.330 4.832 0 40 GJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)OCc1c(F)cccc1Cl 8273202 FXIVVZTUVPUZLK-UHFFFAOYSA-N 396.802 4.504 0 40 GJAB Cc1cnc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)s1 8275994 IHNXXIJUHYAHCC-UHFFFAOYSA-N 386.477 4.611 0 40 GJAB O=C(Nc1ccccc1)c1ccccc1OCc1nc(-c2ccsc2)no1 8314897 PFCTVJNEFMMFAW-UHFFFAOYSA-N 377.425 4.629 0 40 GJAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccco1 8360216 QIUOPEBDANRSJC-HNNXBMFYSA-N 377.469 4.744 0 40 GJAB CSc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 9910270 BENOQHIKEXCXNQ-UHFFFAOYSA-N 389.480 4.888 0 40 GJAB CC(=O)c1c(C)[nH]c(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)c1C 11180603 JUSLAWVCYKODLE-UHFFFAOYSA-N 379.485 4.973 0 40 GJAB Cc1nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(OC(C)C)n1 12225673 QCRSKUYVEKOWLB-UHFFFAOYSA-N 380.423 4.707 0 40 GJAB CCn1c(-c2ccccc2)nn(CN2CCC[C@H]2c2ccc(OC)cc2)c1=S 12818969 TVCFECBQRNLNGB-FQEVSTJZSA-N 394.544 4.904 0 40 GJAB Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)O)cc2)cc1 13087033 DGOCKOKJMVHYDQ-XNTDXEJSSA-N 382.419 4.563 0 40 GJAB Cc1cc(C)n(Cc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)n1 14232855 NIWPMRTZQSCKPJ-UHFFFAOYSA-N 391.496 4.502 0 40 GJAB COP(=O)(OC)c1nc(-c2ccc(C)cc2)oc1NCc1ccc(F)cc1 16750725 SUJRTAFUJWFFAA-UHFFFAOYSA-N 390.351 4.512 0 40 GJAB COc1ccccc1CNCc1cccc(NC(=O)c2ccccc2Cl)c1 17310953 PYLIGYZZOIEREG-UHFFFAOYSA-N 380.875 4.891 0 40 GJAB CN(C)[C@H](CNC(=O)c1cc2c(s1)-c1ccccc1CC2)c1cccs1 17796005 QZKRMMJZKRCOCQ-QGZVFWFLSA-N 382.554 4.608 0 40 GJAB CCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1 18128304 RBIAJAHXHOYAEX-OKILXGFUSA-N 392.956 4.500 0 40 GJAB COc1cc2cc(C3CCN(C(=O)c4sc(C)nc4C)CC3)ncc2cc1C 19127179 IITCJUKPNOZGDL-UHFFFAOYSA-N 395.528 4.645 0 40 GJAB Cc1ccc(-c2nnc(C3CCN(Cc4ccc(F)c(F)c4)CC3)o2)s1 19217833 JRJLAJLKWBVVDK-UHFFFAOYSA-N 375.444 4.764 0 40 GJAB CCn1ncc(-c2cc(C(=O)N[C@H](C)c3cc4cc(Cl)ccc4o3)no2)c1C 19524045 CQQUHNFVNNPIED-LLVKDONJSA-N 398.850 4.757 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(OC)c(Cl)cc1OC 20451699 ZXEROHARIORINU-KRWDZBQOSA-N 377.868 4.770 0 40 GJAB COc1cccc(C(=O)Nc2ccccc2-c2nc(-c3cccc(C)c3)no2)c1 21792019 PMAOSVHXHPMOJW-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1 22009712 MFAPGUFXQPOOCA-UHFFFAOYSA-N 389.386 4.792 0 40 GJAB Nc1c(Cl)cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)cc1Cl 23746427 OMZQRPORCAUQML-UHFFFAOYSA-N 393.192 4.907 0 40 GJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1coc2cc(C)c(C)cc12 24655697 JIGZOKMCEBWCNB-UHFFFAOYSA-N 392.499 4.778 0 40 GJAB Cc1sc2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)nc(N)c2c1C 24834017 ANJSPSXRDNEGAX-SNVBAGLBSA-N 392.937 4.663 0 40 GJAB CC(C)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 25159083 QSCNPOYWPPOMGQ-WIYYLYMNSA-N 397.494 4.583 0 40 GJAB Cc1cc(F)ccc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 25379632 VSAIFCMGGGPFFW-UHFFFAOYSA-N 384.480 4.569 0 40 GJAB O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCC(Cc2ccccc2)CC1 26110930 NZHUAKUIBANDHY-UHFFFAOYSA-N 398.355 4.778 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1c[nH]c(=S)n1-c1ccccc1 30545781 NPKXPCFCDHIPPL-UHFFFAOYSA-N 378.501 4.777 0 40 GJAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1ccc(OC(C)C)cc1 32609737 LYIPJARICXNJQE-UHFFFAOYSA-N 381.451 4.727 0 40 GJAB C[C@@H](SCc1cc(Cl)c2c(c1)OCO2)C(=O)Nc1cc(F)ccc1F 32854198 ZHCSANGZJAQEBE-SECBINFHSA-N 385.819 4.607 0 40 GJAB O=C(NCc1cccnc1)c1cc2sccc2n1Cc1ccccc1Cl 37526404 MYEIKGCCCIWQQP-UHFFFAOYSA-N 381.888 4.730 0 40 GJAB O=C(Nc1ccc(I)cc1Cl)c1ccc(Cl)cc1 48458363 DLHDSHMLJZJUPT-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB COc1cc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)ccc1OC(C)C 72274988 NTMXXXGJDUENCH-UHFFFAOYSA-N 392.415 4.613 0 40 GJAB Cc1nc(N2CCC(c3n[nH]c(C4CC4)n3)CC2)c2c(CC(C)C)csc2n1 84271648 UKPVFKGKFHVPMX-UHFFFAOYSA-N 396.564 4.578 0 40 GJAB CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc4c(c3)CCCC(=O)N4)oc12 84810974 OIYVSFYLLBQVLO-CQSZACIVSA-N 392.455 4.597 0 40 GJAB O=C(OCc1csc(-c2ccccc2Cl)n1)[C@@H]1CC(c2ccccc2)=NO1 89827810 NFITYEHQJYLPGS-SFHVURJKSA-N 398.871 4.700 0 40 GJAB COc1cc(CNc2cc([C@H]3C[C@H]3C)nn2-c2ccccc2)cc(OC)c1OC 95455323 HVZSOBCJUHDJDR-QAPCUYQASA-N 393.487 4.634 0 40 GJAB CC1(C)C[C@H](NC(=O)C[C@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)CCO1 95478218 JXRMNOPSHXLVAJ-XMSQKQJNSA-N 393.955 4.631 0 40 GJAB CC(C)c1cc(Br)ccc1NC(=S)NC(=O)c1ccccc1 143347207 UMBGRMXZVFRCTM-UHFFFAOYSA-N 377.307 4.699 0 40 GJAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCS[C@@H](c2ccccc2Cl)CC1 206991527 XDDZQXZOZZPMGZ-GOSISDBHSA-N 387.892 4.644 0 40 GJAB O=C(Nc1ccc(Cl)cc1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 208870514 DZMCKYRTKGALSP-XWDORNJCSA-N 385.939 4.767 0 40 GJAB O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccccc1 214037086 RHMQVOVGQKZACR-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222712412 ODQVNQRMADCROM-IERDGZPVSA-N 391.467 4.646 0 40 GJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)C1 223917578 RNUBLTGWVAXDKE-MRXNPFEDSA-N 390.449 4.867 0 40 GJAB COc1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 225314078 XMQJKYHDUHXBSO-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCCC1 225654915 ZSODWPOCEOURNZ-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2cccnc12 225872251 AQIIYBXMKJNYMF-UHFFFAOYSA-N 390.483 4.711 0 40 GJAB O=C(Nc1ccc2oc(Cc3ccc(Br)cc3)nc2c1)C(F)(F)F 226271242 PFFWDCVVEDLTLH-UHFFFAOYSA-N 399.166 4.682 0 40 GJAB CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(OCC)c1 226328913 QYYOGXFLLOQYFV-UHFFFAOYSA-N 379.250 4.604 0 40 GJAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1cccc(Br)c1 226337021 PSUAPADSYYYXRP-AATRIKPKSA-N 397.652 4.788 0 40 GJAB CCOC(=O)N[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 408979132 LMXBIDNFSCRCBJ-HNNXBMFYSA-N 381.259 4.809 0 40 GJAB CCOc1ccc2ccccc2c1/C=C1/C(=O)N(C2CCCCC2)C(=S)N1C 409088000 DKOIEUDSQHZZSY-HKWRFOASSA-N 394.540 4.971 0 40 GJAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(F)cc1 409378164 MYNYLUZHFYALKO-UHFFFAOYSA-N 394.446 4.854 0 40 GJAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3cccs3)c(=O)[nH]c12 790262 HYEKOHMHGRISRU-UHFFFAOYSA-N 388.492 4.741 0 40 GJAB Cc1ccc(NC(=O)COc2ccccc2Br)c(Br)c1 943097 MOJKYKVMXXNQAZ-UHFFFAOYSA-N 399.082 4.538 0 40 GJAB COc1ccc(C)cc1NC(=O)c1sc2nc3c(C)cccc3cc2c1N 1342867 JHMISCWJSBNDLN-UHFFFAOYSA-N 377.469 4.909 0 40 GJAB CC(C)c1nc(SCC(=O)N2CCCCC2)c2c3c(sc2n1)CCCC3 1377460 VLNDXDGPJWOOTI-UHFFFAOYSA-N 389.590 4.798 0 40 GJAB Clc1ccc(CSc2nnc(Cn3cnc(Cl)c3Cl)o2)cc1 2156782 PGHNTHQBDTXNAM-UHFFFAOYSA-N 375.668 4.567 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1nccs1 2247715 VISZPZGJAURVBV-MRXNPFEDSA-N 394.839 4.653 0 40 GJAB CN(C)c1ccc([P@@](=O)(OCc2ccccc2)[C@@H](O)c2ccccc2)cc1 2374791 OYXXYDUQEOSGFD-AJTFRIOCSA-N 381.412 4.564 0 40 GJAB O=C(/C=C/c1ccccc1)Nc1cc(Br)c(O)c(Br)c1 3077697 BZBVHEJISZFKPI-VOTSOKGWSA-N 397.066 4.569 0 40 GJAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cc2ccccc2o1 3356453 KWWQZIBSHJEOPX-UHFFFAOYSA-N 384.848 4.618 0 40 GJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2C(C)C)cc1 3442777 PHUBKEGXGAFOBT-OAHLLOKOSA-N 396.516 4.654 0 40 GJAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cc2cc(Oc3cccc(C)c3)ccc2[nH]1 4702622 QPAAVTQXJJKZQJ-OAQYLSRUSA-N 394.471 4.586 0 40 GJAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2cccnc2)N1 5447021 AYSVPOOUSGCNNT-HXUWFJFHSA-N 384.464 4.614 0 40 GJAB CCCCn1nc(NC(=O)COc2ccccc2)c2cc3cc(C)ccc3nc21 5501431 VUOCGMHEVATLNM-UHFFFAOYSA-N 388.471 4.711 0 40 GJAB Nn1c(SC(c2ccc(F)cc2)c2ccc(F)cc2)nnc1-c1ccccc1 6085324 LGMMBTKVEMABKV-UHFFFAOYSA-N 394.450 4.819 0 40 GJAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)C1=O 6654868 ULXNEFOBWOLUEM-XNTDXEJSSA-N 383.897 4.972 0 40 GJAB COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1 6662659 LWQYCJIALXBRJX-UHFFFAOYSA-N 395.333 4.759 0 40 GJAB biogenic CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)N3)C1 6762594 ITDWUMYJUXDGKI-LJQANCHMSA-N 383.561 4.666 0 40 GJAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)cc1Cl 6807036 IHQDWZDWRSZRJI-UHFFFAOYSA-N 392.846 4.577 0 40 GJAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1-c1ccccc1 7848363 FHZNLSBDNQYEMH-SFHVURJKSA-N 399.494 4.920 0 40 GJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@@H](C)c1ccccc1 8187251 KHTZLDUNVVHBCW-KBPBESRZSA-N 398.557 4.700 0 40 GJAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)cc3Cl)n2C)cc1 8369808 DMNXJHLLJFXTCE-XDOYNYLZSA-N 386.904 4.774 0 40 GJAB O=C(CCCSc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 9473308 ISVZXZFQMDBBSJ-UHFFFAOYSA-N 397.569 4.517 0 40 GJAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c(C)c1 12758905 RTVUQOPKANDPRL-HSZRJFAPSA-N 376.525 4.951 0 40 GJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cc(Cl)ccc1C)O[C@@H](C)C2 12765839 MNRLETKJCGJOSW-KBPBESRZSA-N 388.895 4.810 0 40 GJAB C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)NCc1ccccc1 12778077 KNNPNSQUXRTZJI-GOSISDBHSA-N 384.483 4.928 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 12789845 YGEGFUSMUHVZEF-UHFFFAOYSA-N 388.876 4.909 0 40 GJAB CCC[C@H](CC(=O)O)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@H](C)C2=O 13382645 MXFUJXIOAUPXPT-YNEHKIRRSA-N 388.460 4.535 0 40 GJAB biogenic,in-vitro COC(=O)[C@H](CSC/C=C(\C)CC/C=C(/C)CCC=C(C)C)NC(C)=O 13515439 MXSBUVKSWFWHTQ-NNCUDPSNSA-N 381.582 4.817 0 40 GJAB COc1ccc(/C=C(/C(=O)NCCCN2CCCCCC2)c2ccccc2)cc1 13669064 MIJINVUFXQOVMY-HIXSDJFHSA-N 392.543 4.618 0 40 GJAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 14095554 QCWJSZNCKBYOFP-QGZVFWFLSA-N 381.907 4.854 0 40 GJAB CCOC(=O)c1sc(NC(=O)c2sc3cc(F)ccc3c2Cl)nc1C 14866297 XIALYJAUTYEXIO-UHFFFAOYSA-N 398.868 4.888 0 40 GJAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c(O)c1 15721305 ZRAGDMJUVHTTLR-UHFFFAOYSA-N 394.496 4.518 0 40 GJAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)Cn2cnc3ccccc32)n1 19690590 JMNLQNOCMMBQHD-XMMPIXPASA-N 396.494 4.770 0 40 GJAB CCN(Cc1cccc(C)c1)[C@@H]1CCO[C@H](c2ccc(CN(C)C(C)=O)cc2)C1 19712690 OPWQEIDYVKEIGS-RPBOFIJWSA-N 394.559 4.716 0 40 GJAB COc1cccc(CN2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)c1 19882386 GGRBKBKDYVQCLW-UHFFFAOYSA-N 399.446 4.821 0 40 GJAB CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N(CC)CC)c2c1 20381178 VJGOGQZYTXAUKC-UHFFFAOYSA-N 382.529 4.785 0 40 GJAB COc1ccc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1 22144344 RWXAXOQIGWUMIO-QHHAFSJGSA-N 384.229 4.875 0 40 GJAB CCn1cc(C(=O)NCc2ccc(Cl)cc2Cl)c(=O)c2cc(C)ccc21 22234611 LDDQPSGTOJFQCP-UHFFFAOYSA-N 389.282 4.567 0 40 GJAB CCCCn1c(S[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)nc(C)c1C 26122130 VJBLDPKGKHQPBE-INIZCTEOSA-N 399.560 4.573 0 40 GJAB O=C(COc1ccc(F)cc1)N(Cc1cccc2ccccc12)c1ccccn1 27661969 DHODQYUHNNPTQJ-UHFFFAOYSA-N 386.426 4.986 0 40 GJAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(OCC(C)C)cc2)cc1C 27746628 VXXRLLFCBBTWGV-UHFFFAOYSA-N 395.459 4.731 0 40 GJAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccc(Cl)c2ncccc12 32909754 UAGSMPOHMSIVRD-UHFFFAOYSA-N 384.848 4.571 0 40 GJAB C[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc(OC(F)F)cc1 40059900 LGWMMOBDYNNDMW-ZDUSSCGKSA-N 385.410 4.943 0 40 GJAB Cc1cc(C)cc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)c1 41076973 HQJTWCMSXJNRLW-UHFFFAOYSA-N 377.488 4.835 0 40 GJAB CC[C@H](C)c1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c(Cl)c1 42783113 PKAWENJHBBXUSC-NOLJZWGESA-N 397.899 4.695 0 40 GJAB CCOC(=O)c1cc2cc(NC(=O)N3CCC[C@H]3c3ccncc3)ccc2s1 48374632 MNCDKPVGLPTFNZ-KRWDZBQOSA-N 395.484 4.842 0 40 GJAB O=C(Nc1cccc2ccc(-n3ccnc3)nc12)c1ccccc1C(F)(F)F 49028042 AHTIJGXBCHAFBP-UHFFFAOYSA-N 382.345 4.692 0 40 GJAB CCCCc1ccc(NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)cc1 58099735 SIVZQOUQMDGZRB-QGZVFWFLSA-N 386.439 4.573 0 40 GJAB CC(C)[C@@H]1CCCN1c1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 60861795 RQFPZLQUAQLTLT-INIZCTEOSA-N 379.533 4.652 0 40 GJAB COc1ccc2ccccc2c1CNC(=O)c1cc2sc(N(C)C)nc2s1 64822097 NNFSWWKCPBBCHA-UHFFFAOYSA-N 397.525 4.516 0 40 GJAB COc1ccc(Cc2ccc(F)cc2)cc1C(=O)NCc1ccc(F)c(F)c1 66088574 ADHPLXBSJOPPJX-UHFFFAOYSA-N 385.385 4.633 0 40 GJAB CCN(C(=O)CSc1cc(C)nc(-c2ccc(OC)cc2)n1)c1ccccc1 67257551 UDDSLCWAAWBXFI-UHFFFAOYSA-N 393.512 4.606 0 40 GJAB CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72214374 UHQPJWMGWOSYOD-GOSISDBHSA-N 397.475 4.902 0 40 GJAB O=C(Cc1ccccc1C(F)(F)F)OC1CCN(c2ccc(Cl)cn2)CC1 95960080 DCZAKYJYLPXPEB-UHFFFAOYSA-N 398.812 4.509 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)cc2)C[C@H](c2ccccc2O)C1 102625460 ADUZBXJVJSOBOG-RBZFPXEDSA-N 392.846 4.702 0 40 GJAB C[C@H](c1ncc(C(C)(C)C)o1)N1CCO[C@@H](c2cccc(Br)c2)C1 106923305 WOSHGJDZGIGEAO-CZUORRHYSA-N 393.325 4.869 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1C 219041527 ZICKWJQUFQLUKF-INIZCTEOSA-N 377.440 4.731 0 40 GJAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 222840581 HJBUUIZNRCZOFG-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccccc2I)cc1C 223403902 GARPRTXQVHKFPP-CQSZACIVSA-N 393.268 4.707 0 40 GJAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223481173 JQVPDXPVUOPDFH-NZQKXSOJSA-N 394.559 4.650 0 40 GJAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)NC1CCCCC1 225300178 AUSDPEDACLZKAB-GOSISDBHSA-N 399.362 4.960 0 40 GJAB CCc1ccc(CC)c(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 225699504 HWMQADQPAWGXRU-UHFFFAOYSA-N 378.560 4.973 0 40 GJAB CCOc1ccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1 225828792 GMNZZPYPULCFPA-UHFFFAOYSA-N 387.439 4.860 0 40 GJAB CC1CCN(C(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)CC1 225832601 LFXIUEPWELRYQC-UHFFFAOYSA-N 375.472 4.595 0 40 GJAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cccc(C)c2)c1 408698816 PVIJCIWXOHCZQJ-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CCc1onc(C)c1NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 654024243 KHBWCDHOIVIGDQ-UHFFFAOYSA-N 377.435 4.700 0 40 GJAB CCCCCc1cc(=O)oc2c(C(=O)C(C)C)c(O)c(C(C)(C)OC)c(O)c12 2332242372 KQUWPWQUQLMUMC-UHFFFAOYSA-N 390.476 4.657 0 40 GJAB Fc1ccc(Cc2nnc3sc(-c4ccc(C(F)(F)F)cc4)nn23)cc1 632801 DKEJBYOWSSBOSU-UHFFFAOYSA-N 378.354 4.602 0 40 GJAB Cc1cccc2cc(CN(C(=O)c3cccs3)C3CCCCC3)c(=O)[nH]c12 790177 WFKLLTXPNVUOQZ-UHFFFAOYSA-N 380.513 4.873 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc2ccc(Cl)cc2s1 1268511 NGVQNFWIJARESG-UHFFFAOYSA-N 396.324 4.659 0 40 GJAB Cn1c(NC(=O)c2ccc(F)cc2)c(-c2cccs2)c(=O)c2ccccc21 2198265 BQNPFAWRYXUINQ-UHFFFAOYSA-N 378.428 4.658 0 40 GJAB CC1(C)Cc2c(sc3nc(SCC=C(Cl)Cl)nc(N)c23)CO1 2299682 YUCKOIFUBNWLDC-UHFFFAOYSA-N 376.334 4.536 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)cc1 3221367 FKIJANVQDLKVOS-UHFFFAOYSA-N 382.338 4.627 0 40 GJAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(SC(F)F)cc2)cc1 3287432 GMDYWJJHERUORS-UHFFFAOYSA-N 382.457 4.691 0 40 GJAB CC[C@@H](C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 3371069 JUXWVRYZKQXNJZ-JOCHJYFZSA-N 387.479 4.629 0 40 GJAB COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(F)cc1)N1CCCCCC1 3441406 CLBPHTVBWDDEEV-QFIPXVFZSA-N 397.490 4.707 0 40 GJAB Fc1ccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)cc1 4888067 SBHWBLBEOKBHTA-AYHJJNSGSA-N 389.565 4.759 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2C2CCCC2)c1 5090016 YNRLZRWEPZINDT-MRXNPFEDSA-N 385.533 4.937 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N3CCc4ccccc43)s2)cc1C 5624093 RVCILSORVMBNIQ-UHFFFAOYSA-N 396.541 4.580 0 40 GJAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 5697965 LMXCJRDGMQVUMP-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1C 5829367 CBPCDZGUACDJFS-ZDUSSCGKSA-N 396.712 4.976 0 40 GJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCC3)cc2)cc1 5944344 KGSHUYRLAWPJIC-UHFFFAOYSA-N 395.572 4.707 0 40 GJAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Cl)cc(Cl)c1 6508780 OVOIFXKKUCJITK-MJGOQNOKSA-N 375.299 4.750 0 40 GJAB CCSc1nc2ccc(Br)cc2c(=O)n1[C@H](C)c1ccccc1 6510359 DLRTWUAJNCVRGQ-GFCCVEGCSA-N 389.318 4.880 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 6546381 LSJYSIILSZJUQQ-UHFFFAOYSA-N 387.936 4.766 0 40 GJAB Clc1nc2ccccc2cc1CSc1nnc(-c2ccc3c(c2)OCO3)o1 6880254 MGLSEZBCVYKSED-UHFFFAOYSA-N 397.843 4.959 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1Cc1ccco1 7112893 AHBSYPAZSSFTHB-MRXNPFEDSA-N 389.274 4.870 0 40 GJAB S=c1n(CN2CC=C(c3ccccc3)CC2)nc(-c2ccncc2)n1C1CC1 8105946 BUDIPWXZUGHCDQ-UHFFFAOYSA-N 389.528 4.558 0 40 GJAB COc1ccccc1CNc1nc(-c2cccc(N3CCCC3=O)c2)cs1 8295835 IGUJXSYUMRPHRJ-UHFFFAOYSA-N 379.485 4.558 0 40 GJAB Cc1ccc2[nH]c(=O)c(-c3nc4c(C)cccn4c3NCc3ccco3)cc2c1 8579034 YJYSCMCMBOFWSK-UHFFFAOYSA-N 384.439 4.665 0 40 GJAB Cc1cccc(-n2ccnc2S[C@H](C)c2nc3ccccc3c(=O)[nH]2)c1C 8725196 WYKWGWCFKREAAR-OAHLLOKOSA-N 376.485 4.579 0 40 GJAB COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(=O)c3nc(C)sc23)cc1 8955456 NBZGLQRSZHQACN-UHFFFAOYSA-N 397.887 4.539 0 40 GJAB CC(C)c1nn2c3c(cnc2c1-c1ccc(Br)cc1)C(=O)CCC3 9290221 OORCYEFOJXJCSU-UHFFFAOYSA-N 384.277 4.801 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccn3)c3ccc(C)c(C)c3)cc2c1 9307505 ILAMGRXNZIVULR-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB CCn1/c(=N\C(=O)c2ccc(Br)s2)sc2cc(C)ccc21 12180862 KNRYZVWIJLNNLC-BMRADRMJSA-N 381.320 4.596 0 40 GJAB Cc1ccccc1C1(O)CCN(C(=O)C(c2cccs2)c2cccs2)CC1 12290308 SNDIYCLLNDLTQK-UHFFFAOYSA-N 397.565 4.760 0 40 GJAB COc1cc([C@@H]2CC(=O)Nc3ccsc32)ccc1OCCc1ccccc1 12419339 RQWDHRLIDOSOCK-KRWDZBQOSA-N 379.481 4.852 0 40 GJAB Cc1ccccc1Cn1c([C@@H](C)NC(=O)COc2ccccc2)nc2ccccc21 12538710 KPYFNDSKZCXABF-LJQANCHMSA-N 399.494 4.649 0 40 GJAB COc1ccc(Nc2nn(CN(C)Cc3sccc3C)c(=S)s2)cc1 12558126 ISRSXPMCXMZVTP-UHFFFAOYSA-N 392.575 4.886 0 40 GJAB O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(c2ccccc2)CC1 12606611 OKUICKMYQOVSMT-UHFFFAOYSA-N 389.480 4.519 0 40 GJAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(OC)c1 12856211 PEEZSWQJYHVNBL-YXBWYFRISA-N 394.496 4.690 0 40 GJAB Cc1ccc([C@@H](NC(=O)NCc2ccc(CN3CCCC3)cc2)C2CC2)cc1 12943271 SIUMMURTSZZOSZ-HSZRJFAPSA-N 377.532 4.541 0 40 GJAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1cccc(F)c1 13758763 BCKNYLRTWVRYAH-JCTONOIOSA-N 397.490 4.733 0 40 GJAB CCc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 16161596 ZSUUYAKZLIUUMM-QFIPXVFZSA-N 378.497 4.564 0 40 GJAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)cc1 16779177 JXZZYMNQQVPLGW-KRWDZBQOSA-N 380.469 4.743 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cn2ccc(C)cc2n1 19684238 GTGAKVAWWCSFHI-UHFFFAOYSA-N 377.366 4.703 0 40 GJAB Cc1ccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)cnn3c2C)c(C)c1 19817009 VRTPOYUFOLCABM-UHFFFAOYSA-N 391.862 4.622 0 40 GJAB C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N1CCc2ccccc2C1 22079882 IXUVTNLGBIWBKL-HNNXBMFYSA-N 397.931 4.591 0 40 GJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N3CCc4ccccc4C3)c(C)c12 22505130 UYQDPROGOVPHTK-UHFFFAOYSA-N 379.529 4.804 0 40 GJAB CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2)n1 27775876 XZPNAUGBJMMWGP-AWEZNQCLSA-N 392.484 4.575 0 40 GJAB Cc1ccccc1O[C@@H](C)C(=O)NCCSCc1c(F)cccc1Cl 30855002 XVSDCWMINBGCDI-AWEZNQCLSA-N 381.900 4.604 0 40 GJAB CCOC(=O)c1c(NCc2cccc(Cl)c2)c2ccc(Cl)cc2[nH]c1=O 33256885 ZPLQLHSHBJIDBX-UHFFFAOYSA-N 391.254 4.624 0 40 GJAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1Cl 41076941 CGWNUAQIKOZOMB-UHFFFAOYSA-N 383.879 4.852 0 40 GJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 44849276 SCBJPRPYRLBEHY-KRWDZBQOSA-N 382.504 4.546 0 40 GJAB C[C@@H](OC[C@@H](O)CN1C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1 45821582 LTBPAROLKUYQDA-KDOFPFPSSA-N 381.859 4.592 0 40 GJAB CCOC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)C1 57326938 RYGJTLKTVMGTBC-KRWDZBQOSA-N 392.455 4.534 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)n[nH]2)c(OC)c1 57412992 FDMKLVXSMOTBFI-UHFFFAOYSA-N 392.242 4.653 0 40 GJAB COc1ccccc1[C@@H](C)N[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 57679464 UXPAFUNOVCFBGT-MOPGFXCFSA-N 388.511 4.640 0 40 GJAB O=C(C=C1CCCCC1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58299552 TVYAQNZXQXMNSK-UHFFFAOYSA-N 385.458 4.951 0 40 GJAB O=C(NCc1cccc(Br)c1)c1cc(Cl)cc2cccnc12 59744838 AMZUECZWEDWNJC-UHFFFAOYSA-N 375.653 4.581 0 40 GJAB CC(C)Oc1ccc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)c2ccccc12 63850023 IOEUWFLYUFBRRT-UHFFFAOYSA-N 399.516 4.515 0 40 GJAB COc1cc(CN2C(=O)S/C(=C/c3cccs3)C2=O)ccc1OC(F)F 65537239 YYPXPRYMVOLXDF-RIYZIHGNSA-N 397.424 4.595 0 40 GJAB O=C(NCc1ccco1)c1cccc(CN2CCCSc3ccccc32)c1 84582878 VRILSVLBMZLTNR-UHFFFAOYSA-N 378.497 4.712 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC2CCC2)c2ccccc23)o1 96052751 IAOWQCWPUPIZPM-IBGZPJMESA-N 392.543 4.668 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 103420013 HQEIXRPSZKYMIC-JLEJFLCFSA-N 391.467 4.521 0 40 GJAB O=C(Nc1ccc(I)cc1)C1(c2ccccc2)CCCC1 105176877 IAEUNQKFIWFKPW-UHFFFAOYSA-N 391.252 4.742 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 216482337 CMBLGEAXXBFGDS-UWJYYQICSA-N 382.504 4.628 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 223654658 DQACQSSTOZQPAQ-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1cc(C)ccc1C 224043576 ASZJRJIWUAXLBZ-LJQANCHMSA-N 375.896 4.618 0 40 GJAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224439419 DYNURZRFJRRQDZ-WOJBJXKFSA-N 380.492 4.780 0 40 GJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)ccc1F 224895950 FODVREZFHKCKCP-RTWAWAEBSA-N 394.519 4.662 0 40 GJAB COc1ccc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2c1 225149895 OGZKHQXLUTVOLV-UHFFFAOYSA-N 381.375 4.668 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccc(C)cc1 225485707 VQYNWTBNUFAWEY-LJQANCHMSA-N 381.545 4.868 0 40 GJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(OC)c(Cl)c1 225703192 ZSHYJYHRGNAPGA-KRWDZBQOSA-N 376.909 4.721 0 40 GJAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)cc1C(=O)OCC 225842249 LLCXAROTAAEGSY-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB CSc1ncc(C(=O)Nc2nc(-c3cccc(Cl)c3Cl)cs2)cn1 408531350 LSBWWKLTPLMPOG-UHFFFAOYSA-N 397.312 4.881 0 40 GJAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)CC(C)C)ccc3o2)c1 408627997 PFIYFAIOADCLDC-UHFFFAOYSA-N 381.501 4.971 0 40 GJAB O=C(Nc1ccccc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408771203 DWQQNPINUPCFAX-HSZRJFAPSA-N 388.492 4.713 0 40 GJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(Br)s3)S2)cc1 408772255 NHAFBDSCVSHUNY-OVHOFWQVSA-N 395.347 4.673 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1Cl 409179487 ROGJKNLPPJGMJL-UHFFFAOYSA-N 397.814 4.516 0 40 GJAB COc1ccc(Br)c(C(=O)NCc2ccc(-c3ccsc3)o2)c1 575609851 IFJXCYSNMXCGMK-UHFFFAOYSA-N 392.274 4.709 0 40 GJAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC(Cc3ccc(C)cc3)C2)c(C)c1 952994788 QXGCUSHOKAHLOX-GOSISDBHSA-N 393.531 4.538 0 40 GJAB CCc1ccc2occ(C(=O)N[C@@H](C)[C@H](O)c3c(F)cccc3Cl)c2c1 1545594986 AUHMDCIRIWNNMD-WLRWDXFRSA-N 375.827 4.640 0 40 GJAB COc1cc([C@H](C)NC(=O)NCc2noc3cc(F)ccc23)cc2ccccc12 1565258981 VGIQYQXCISAHBQ-ZDUSSCGKSA-N 393.418 4.689 0 40 GJAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccccc3C(F)(F)F)[nH]c2c1 1640577733 LFQJLKLEGARFEC-JTQLQIEISA-N 380.391 4.954 0 40 GJAB O=C(COc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1)N1CCCCC1 937404 FRPQNQGXNWJAAJ-UHFFFAOYSA-N 397.858 4.505 0 40 GJAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)OC(C)(C)C)cc12 1463418 UTEYYLLEYHMYBU-UHFFFAOYSA-N 396.439 4.997 0 40 GJAB biogenic COc1ccc([C@@H](CCN(Cc2ccc(OC)c(OC)c2)C(C)=O)C(C)C)cc1 1762298 ZBDKQYVXGDKTGI-QFIPXVFZSA-N 399.531 4.891 0 40 GJAB C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2046578 JWZBXKZZDYMDCJ-SHGSVWSOSA-N 390.564 4.686 0 40 GJAB biogenic Cc1onc(-c2ccccc2Cl)c1C(=O)NCCOc1ccc(Cl)cc1 2185069 OKFMAQDWPLOFJO-UHFFFAOYSA-N 391.254 4.766 0 40 GJAB CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2cccc(F)c2)o1 2233027 PCILGXCRAUHVRM-UHFFFAOYSA-N 395.500 4.739 0 40 GJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccco1 2393829 CCPQAIXIJHAZMQ-UHFFFAOYSA-N 397.287 4.596 0 40 GJAB O=C(Nc1ccc(Cl)cc1)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 3172428 YGVOXTPFLXEUNX-FBMGVBCBSA-N 394.902 4.742 0 40 GJAB CCc1cccc(CC)c1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 3255127 CGHBIUHGNCTIOP-UHFFFAOYSA-N 397.490 4.944 0 40 GJAB COc1ccc(C(C)=O)cc1CSc1nnc2cc(C)c3ccccc3n12 3307710 WPZWTERLWKKYRK-UHFFFAOYSA-N 377.469 4.694 0 40 GJAB CC(C)CN(CC(C)C)C(=O)CSc1nnc(NC2CCCCC2)s1 3316265 ORNXAYRZDPLKIV-UHFFFAOYSA-N 384.615 4.515 0 40 GJAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 3356514 FMGVUUCGEOIQPG-UHFFFAOYSA-N 384.479 4.519 0 40 GJAB CCc1cccc2c(C(=O)[C@@H](Sc3nnc(C)n3C)c3ccccc3)c[nH]c12 3477902 HODATTHEAYIVBJ-NRFANRHFSA-N 390.512 4.884 0 40 GJAB COc1ccc(C(C)=O)cc1COc1ncnc2c(Cl)cc(Cl)cc12 3491005 NYFHXNRRZLKTRU-UHFFFAOYSA-N 377.227 4.727 0 40 GJAB CC(C)CCNC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 3529211 VLRUCAHCJMWMKF-UHFFFAOYSA-N 395.937 4.859 0 40 GJAB COc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc(Cl)c1O 4571673 CVPDIKIIJDGDON-BCTVWOGZSA-N 378.881 4.669 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4835844 ZODDSFXGSCRDNS-UHFFFAOYSA-N 381.545 4.762 0 40 GJAB Cc1cccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)c1 5156534 QHVLXLOOYDETSS-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)c(OC)c1 5162418 MVSZIESXWTZSRG-ZTCOLXNVSA-N 399.506 4.711 0 40 GJAB Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 5265192 BKWBSPJGGJIZGE-UHFFFAOYSA-N 377.444 4.986 0 40 GJAB CC[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 5908879 JFIBDCNTUWDVRS-ZDUSSCGKSA-N 387.439 4.640 0 40 GJAB biogenic C[C@@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)c1c[nH]c2ccccc12 6099251 QWQFDSQPMQTTCV-SECBINFHSA-N 391.283 4.881 0 40 GJAB Cc1cccc(N2CCN(C(=O)CCSc3ccc(Cl)cc3)CC2)c1C 6256683 SNAMCSJLJDKJKA-UHFFFAOYSA-N 388.964 4.788 0 40 GJAB O=C(COc1ccccc1)Oc1cc(-c2ccc(F)cc2)c2oc(=O)sc2c1 6809694 PEGLIHJKMTVJSH-UHFFFAOYSA-N 396.395 4.645 0 40 GJAB COCc1ccc(C(=O)N(Cc2cccs2)Cc2ccccc2OC)cc1 7777968 KLJNVNKMXYCRJM-UHFFFAOYSA-N 381.497 4.746 0 40 GJAB COc1cccc(CC(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c1 7988302 YRRSYYOKKOWQDL-FQEVSTJZSA-N 390.508 4.729 0 40 GJAB CCOc1cc(CNCc2ccc(F)cc2)cc(Br)c1OCC 8253848 NATPONRWSHCYER-UHFFFAOYSA-N 382.273 4.675 0 40 GJAB O=c1c(Br)c(-c2ccccc2Br)[nH]c2ccccc12 8581037 DQWCAAWSQOPNKW-UHFFFAOYSA-N 379.051 4.720 0 40 GJAB Cc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 8876805 FWNSGYZDICQBTD-UHFFFAOYSA-N 382.467 4.515 0 40 GJAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(SC(F)F)cc2)no1 8942310 OLZONBYUHXEMCM-UHFFFAOYSA-N 391.399 4.524 0 40 GJAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)cc3)ccc21 8959268 QDVBYWCHOBNXEG-UHFFFAOYSA-N 398.478 4.876 0 40 GJAB Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3c(C)cccc3C)cs2)c1 9625586 YZLJXNPOIWQUQP-UHFFFAOYSA-N 394.500 4.894 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccccc23)CC1 10225120 OQDWBESHSVJQDQ-GOSISDBHSA-N 375.516 4.991 0 40 GJAB Cc1nc2ccc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)cc2s1 12261783 JPKAQBOGVRKKFO-UHFFFAOYSA-N 392.484 4.601 0 40 GJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2c(C)[nH]c3c(C)cccc23)CC1 12344569 IXLVUNLPPWWRSG-UHFFFAOYSA-N 393.506 4.551 0 40 GJAB CC[C@H](C)Nc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 12419495 YZDGRRIEDRXLBD-NSHDSACASA-N 380.853 4.631 0 40 GJAB CC(C)c1ccc(-n2nnnc2SCc2cccc(Br)c2)cc1 12623605 DQXCFABAJHSKBO-UHFFFAOYSA-N 389.322 4.841 0 40 GJAB O=S(=O)(N[C@H]1CCSc2c(F)cccc21)c1c(Cl)cccc1Cl 12769608 QANMWQWTSPNNDJ-ZDUSSCGKSA-N 392.304 4.648 0 40 GJAB CC(C)OCCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 12896978 PESPABSYSRJHAW-UHFFFAOYSA-N 382.435 4.693 0 40 GJAB Cc1ccc([C@H](NC(=S)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 17449748 NKEXSYQBIGOLJP-JOCHJYFZSA-N 390.508 4.842 0 40 GJAB Nc1c(C(=O)c2ccccc2)sc2nc3c(cc12)CN(Cc1ccccc1)CC3 20289826 OOPCRJYFXQKIPD-UHFFFAOYSA-N 399.519 4.668 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1OC 20451195 PPNWKDYRGJKPKR-IMYWFDTISA-N 387.479 4.931 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1OCC 20460334 WRAXHWCPPNCCKW-QGZVFWFLSA-N 385.504 4.691 0 40 GJAB Cc1cccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)c1 21787687 GAJZFFPQLZFGJT-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB O=C(Nc1ccccc1F)c1cccnc1Nc1ccccc1Br 22072851 VCAOXEOYYBEKKH-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(Cl)cc2cccnc12 22994168 HCILYYZOKGSWJW-HXUWFJFHSA-N 391.858 4.791 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2ccc(Cl)cc2Cl)C2CC2)c1 25803979 BYOOKHRNEVOMAA-UHFFFAOYSA-N 380.271 4.815 0 40 GJAB COc1ccc(CC(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)cc1 27922636 HUAQGUWCUMRHFR-UHFFFAOYSA-N 399.494 4.891 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc3c2O[C@H](C)[C@@H]3C)c(OC)c1 32820737 PGSVYBCZVHIZRM-MDOVXXIYSA-N 381.472 4.566 0 40 GJAB Cc1c(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)sc2ccccc12 32898948 UJSNBMDNNYWZLC-UHFFFAOYSA-N 379.481 4.650 0 40 GJAB Cc1cccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1C 35289090 UCOYJYRURKASEM-SEJPIABJSA-N 379.573 4.785 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 36700080 LHAWJRCNPJYNDB-SFHVURJKSA-N 388.920 4.714 0 40 GJAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccccc1 40059598 OZBMKBUDNFZBJG-INIZCTEOSA-N 397.689 4.890 0 40 GJAB Cc1cc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c(C)s1 40080940 NFCNHIQMJYBXNL-CABCVRRESA-N 386.561 4.658 0 40 GJAB Cc1ccc([C@@](O)(CCNCc2ccccc2C(F)(F)F)C(F)(F)F)o1 40088631 HXHRQUZADUHLMX-HNNXBMFYSA-N 381.316 4.537 0 40 GJAB O=c1c2cnc3c(-c4ccc(F)cc4)cnn3c2ccn1C1CCCCCC1 40396598 ZNZXBRHNZRAAEG-UHFFFAOYSA-N 376.435 4.746 0 40 GJAB CC(C)n1c(/C(N)=C(\O)c2nc3ccccc3n2C(C)C)nc2ccccc21 41146044 IUYQCGOIGODILY-FMQUCBEESA-N 375.476 4.890 0 40 GJAB Cc1cccc(CN2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)c1 44918339 LWWPXBLBORNPLN-JOCHJYFZSA-N 392.543 4.626 0 40 GJAB Cc1ccc([C@H](C)N(C)C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)s1 47810794 URJJBNCNHPYTJK-UXLLHSPISA-N 387.549 4.895 0 40 GJAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCC[C@@H]3c3ccc[nH]3)s2)cc1 48309682 AIDVSZIBNMUXBV-GOSISDBHSA-N 381.501 4.644 0 40 GJAB CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1OC 48374402 ZKTYZTPTZDAVFV-QFIPXVFZSA-N 389.455 4.650 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H]1c1cccc(Br)c1 48374610 SDFKJLGJCFLBRF-QGZVFWFLSA-N 398.256 4.533 0 40 GJAB O=C(CCC(=O)N1CCC[C@H]1c1cccc(Br)c1)c1cccs1 55785131 HRTANXQQWSXQGY-HNNXBMFYSA-N 392.318 4.837 0 40 GJAB Cc1noc(Cl)c1CC(=O)Nc1ccccc1CN(C)C1CCCCC1 58186029 ZSLMDJFWTICYID-UHFFFAOYSA-N 375.900 4.582 0 40 GJAB O=C(Nc1nnc(COc2ccccc2)o1)C1c2ccccc2Oc2ccccc21 61973982 DZOAVLOXBOIQLB-UHFFFAOYSA-N 399.406 4.525 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccccc2N2CCCCCC2)c1 71902088 AVZNCDYSZCRTOU-KRWDZBQOSA-N 397.519 4.967 0 40 GJAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 72356059 KEWHFNYREOVBRC-HSZRJFAPSA-N 385.511 4.704 0 40 GJAB COc1ccc(C2(C(=O)Nc3cccc4c3ccn4C(C)C)CCOCC2)cc1 85877256 LJZQMDYVNPQDLD-UHFFFAOYSA-N 392.499 4.918 0 40 GJAB biogenic Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C 89548267 JCPAMNVCOYFEIJ-IEBWSBKVSA-N 390.549 4.744 0 40 GJAB Cc1ccnc(-c2ccc(NC(=O)c3ccccc3OCc3cccnc3)cc2)n1 89701916 GLMGGCKWCMYMBK-UHFFFAOYSA-N 396.450 4.678 0 40 GJAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCc2ccccc2[C@H]1Cc1ccccc1 89830401 PNGHXYHFUBZMIZ-XMMPIXPASA-N 394.474 4.510 0 40 GJAB FC(F)(F)c1ccc(Br)cc1N1CCN(Cc2ccccc2)CC1 95080923 OPFGAKHOAANPDN-UHFFFAOYSA-N 399.254 4.790 0 40 GJAB CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NCc3ccccc3)c3ccccc3O2)C1 95455493 ZKZNSGBMOZTZPV-RDPSFJRHSA-N 394.515 4.680 0 40 GJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(Cl)cc2)S1 96117205 NPCPRDFXJISNMZ-HOCLYGCPSA-N 391.924 4.846 0 40 GJAB COc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(C)cc1 100425059 MDHWXNFRWPVUTA-SFTDATJTSA-N 393.531 4.711 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 107334524 SNYULNZETYBDOA-ULQDDVLXSA-N 389.902 4.588 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219370427 ZHEWSCCXFTZFKP-OALUTQOASA-N 385.504 4.746 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1C 219606396 IGBAQUMUAMFTAU-GOSISDBHSA-N 375.852 4.621 0 40 GJAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)o1 222761500 AHAYNXYVNKKUNP-MOPGFXCFSA-N 383.904 4.906 0 40 GJAB CC(C)CSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)s1 223051546 HHYDZQZLGHJLTN-CYBMUJFWSA-N 379.551 4.816 0 40 GJAB O=C(CCSCc1ccccc1)NCc1ccccc1CN1CCCCC1 224831888 FEARNFNRDKGQOA-UHFFFAOYSA-N 382.573 4.612 0 40 GJAB Fc1cc(Br)ccc1NC(=S)NCCSCc1ccccc1 225290590 HIQGURLYNDXKOX-UHFFFAOYSA-N 399.354 4.808 0 40 GJAB CCc1ccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 225803331 QDRXANMUVMTSGO-UHFFFAOYSA-N 389.377 4.889 0 40 GJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)on1 257226760 FMACARLHWOYKNF-WGSAOQKQSA-N 396.535 4.719 0 40 GJAB Cc1cc(OCC2(O)CCN(Cc3ccc4[nH]ccc4c3)CC2)cc(C)c1Cl 257336067 YNADLBRIDCIJCP-UHFFFAOYSA-N 398.934 4.844 0 40 GJAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1C 409003285 RPKWFXTUPNRLTQ-LIRRHRJNSA-N 388.895 4.928 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)c(C)c1 409104119 DTWIUDRWHZWXBC-UHFFFAOYSA-N 380.517 4.540 0 40 GJAB CCOc1cc(CNc2cccc(C)c2)cc(I)c1OC 409109688 JIRNAMWJCWQEOQ-UHFFFAOYSA-N 397.256 4.619 0 40 GJAB O=S1(=O)C=C[C@H](N(c2ccccc2)C(c2ccccc2)c2ccccc2)C1 575421148 NDEALILNQKFCGJ-QFIPXVFZSA-N 375.493 4.593 0 40 GJAB COc1ccccc1-c1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)cc1 585261182 QGDHVRURNXGILO-XWVZOOPGSA-N 379.500 4.887 0 40 GJAB COc1ccccc1/C=C/c1nn2c(CSCc3ccccc3)nnc2s1 1501040045 ZOKAHDUSTFHPMA-VAWYXSNFSA-N 394.525 4.798 0 40 GJAB COc1c(C)cccc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615154414 FLWQYKKADIXZFJ-UTKZUKDTSA-N 396.506 4.662 0 40 GJAB C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 883893 RNFVNOKVFKIIPT-CYBMUJFWSA-N 395.450 4.656 0 40 GJAB Cn1nc(C(F)(F)F)c(/C=C/C(=O)Oc2ccc(C(F)(F)F)cc2)c1Cl 2557800 UGEMOBDEQOOCIO-VOTSOKGWSA-N 398.690 4.730 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)/C=C/c3cccc(F)c3)n2)cc1 2630594 ZRZOCRVTSYZLRX-BJMVGYQFSA-N 381.432 4.560 0 40 GJAB COCCn1c(S[C@@H](C)c2ccccc2)nnc1-c1c[nH]c2ccccc12 4138673 HOUDFZGUNUYPBX-HNNXBMFYSA-N 378.501 4.926 0 40 GJAB CC(C)OC(=O)COc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 4586255 QFROTNYYWFJNJF-UHFFFAOYSA-N 378.380 4.537 0 40 GJAB biogenic Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\Nc2ccccc2)c1 4672525 SGHLRPZAWDICIJ-RWEWTDSWSA-N 385.423 4.627 0 40 GJAB COc1ccc(Cl)cc1C(=O)NCCc1csc(-c2ccc(F)cc2)n1 5146278 DIHHYZIYSQZQGO-UHFFFAOYSA-N 390.867 4.584 0 40 GJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(F)cc1 5359414 HBHDJDWQVPFZBP-NSHDSACASA-N 388.493 4.600 0 40 GJAB COc1ccccc1C(=O)Nc1c(-c2cccc(C)c2)c(=O)c2ccccc2n1C 5423417 WMVWTDPZLBDJRA-UHFFFAOYSA-N 398.462 4.775 0 40 GJAB CC(C)C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 5561771 HRQYNXXZLDJEDS-QZTJIDSGSA-N 395.894 4.672 0 40 GJAB Cc1ccc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1 6097158 OOOUIHIUGIQWFP-HXUWFJFHSA-N 392.528 4.785 0 40 GJAB CN(C)CCCNCC[C@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 6662241 RBXMWPWASVANNY-QUCCMNQESA-N 381.004 4.635 0 40 GJAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)c1ccccc1 6792240 HHCYJWSAEAUZON-OAHLLOKOSA-N 375.453 4.891 0 40 GJAB CC(=O)Nc1nc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cs1 6851424 PVNHCFIMVRDKLT-UHFFFAOYSA-N 388.518 4.741 0 40 GJAB O[C@@H](CNCC1CCCCC1)COC(c1ccc(F)cc1)c1ccc(F)cc1 6936640 OROOQQOQKAUOOI-QFIPXVFZSA-N 389.486 4.602 0 40 GJAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCc1ccco1 7752769 INXIKZLENXXSAP-UHFFFAOYSA-N 380.394 4.955 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7885885 IRGARYDSMLWWIC-FQEVSTJZSA-N 378.863 4.563 0 40 GJAB CC(C)(C)OC(=O)NCCc1nnc(SCc2cccc3ccccc23)o1 7997132 OTSZZBDQHXNTNP-UHFFFAOYSA-N 385.489 4.582 0 40 GJAB Cc1ccc(NC2=NN=C(c3cc(C)n(C[C@@H]4CCCO4)c3C)CS2)cc1C 8190890 PNXXLEOFCGJSAQ-IBGZPJMESA-N 396.560 4.820 0 40 GJAB C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 8225920 XLDPFGNXNLTBKJ-QGZVFWFLSA-N 393.556 4.523 0 40 GJAB COc1ccc2c(CC(=O)N(C)[C@H](C)c3nc4ccccc4s3)coc2c1 8391010 JSJPNSGPZMVOQJ-CYBMUJFWSA-N 380.469 4.813 0 40 GJAB CCCOc1c(Cl)cc(C(=O)Nc2cc(OC)c(OC)cc2C)cc1OC 8723916 SHBPRAAUARNRED-UHFFFAOYSA-N 393.867 4.715 0 40 GJAB COc1cccc(OC)c1-c1noc(CSc2nc3ccccc3s2)n1 8816054 GEQDODYUTIOEGT-UHFFFAOYSA-N 385.470 4.656 0 40 GJAB O=C(CSc1nnc(-c2ccco2)o1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 9145982 QFUCAFHMPRNVGM-LBPRGKRZSA-N 395.267 4.966 0 40 GJAB CCOc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1OCC 11071962 QZFGZNDKRKSSBF-UHFFFAOYSA-N 390.483 4.895 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 12062752 LENOIEWMDCUJSU-INIZCTEOSA-N 395.459 4.548 0 40 GJAB COc1ccc2cc([C@H](C)C(=O)NCCCN(C)c3ccccc3)ccc2c1 12526645 UDEFIWJJDUJPBN-SFHVURJKSA-N 376.500 4.595 0 40 GJAB O=C(c1ccc(-n2cccn2)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1 12677878 FFUYAMGVAGROGU-LJQANCHMSA-N 388.496 4.849 0 40 GJAB CCOc1ccccc1CCCNC(=O)/C(=C/c1ccco1)c1ccccc1 13648583 DGHNHARESRDGQB-RELWKKBWSA-N 375.468 4.968 0 40 GJAB Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)cn1 14189819 MSYAMEFJCVGCHZ-UHFFFAOYSA-N 380.292 4.590 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1SCc1ccco1 14199866 ZTSUXINTVYSLJG-UHFFFAOYSA-N 396.468 4.791 0 40 GJAB O=C(COc1ccccc1C(=O)Nc1ccccc1)NC1CCCCCCC1 14738957 NKFBJCGQBLIEPK-UHFFFAOYSA-N 380.488 4.547 0 40 GJAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)N3CCCCC3)no2)cc1 15859685 UCXONXCITIMZAH-LJQANCHMSA-N 395.528 4.669 0 40 GJAB O[C@H](COc1ccccc1)Cn1c(Cc2ccccc2Cl)nc2ccccc21 15860783 YXWRHEOVDJCLSE-SFHVURJKSA-N 392.886 4.720 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(Br)s2)sc(C)c1C 17297250 WFRRPPIAQDKZDM-UHFFFAOYSA-N 388.308 4.618 0 40 GJAB COc1ccc(CCCN(C)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 17743764 UQHJONCBTLCLOP-UHFFFAOYSA-N 376.884 4.762 0 40 GJAB Cc1csc([C@@H](Cc2ccsc2)NCc2cc(Cl)c3c(c2)OCO3)n1 19240215 GQMJQYNQXMCLAL-OAHLLOKOSA-N 392.933 4.969 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)cc(C)c1Cl 20035447 RKFDVEKPGUVLES-MRXNPFEDSA-N 397.906 4.535 0 40 GJAB O=C(c1cc(-c2ccccc2)on1)N(Cc1ccco1)Cc1ccccc1F 21524143 YRJHSWVAIHGYFQ-UHFFFAOYSA-N 376.387 4.916 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(C)cc1 22522123 KNFUSZQIDNXFDO-SFHVURJKSA-N 377.937 4.855 0 40 GJAB COc1ccc(CN(C(=O)c2cc(Cl)ccc2Cl)C2CC2)c(OC)c1 25292001 LKEXKNRHVIRQQN-UHFFFAOYSA-N 380.271 4.815 0 40 GJAB CC(C)N(CCOc1ccc(C(C)(C)C)cc1)Cc1nc2ccccc2c(=O)[nH]1 25637387 XXIHHNURYASOSD-UHFFFAOYSA-N 393.531 4.510 0 40 GJAB Cc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1C 27583043 CZOJTKRDUCIRLL-MRXNPFEDSA-N 379.460 4.883 0 40 GJAB Cc1noc(C)c1CC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 29013377 WWUFRHQKLVRKRH-UHFFFAOYSA-N 381.379 4.615 0 40 GJAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc2[nH]c3c(c2c1)CCCC3 30479859 LFHXXTZZPWQLCJ-UHFFFAOYSA-N 387.483 4.535 0 40 GJAB CC(C)c1ccc(-n2nnnc2SCc2cc(F)cc3cccnc23)cc1 31617150 FGENCQGEQQRAMD-UHFFFAOYSA-N 379.464 4.765 0 40 GJAB O=C(O)c1cc(-c2cccc(OC(F)F)c2)nc2cc(-c3ccc(F)cc3)nn12 36615771 HOXNHJCLRQJDQU-UHFFFAOYSA-N 399.328 4.502 0 40 GJAB O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1Cc1ccccc1 40024905 DBESHZBXVGURBH-QHCPKHFHSA-N 398.441 4.983 0 40 GJAB COc1cc(C)c(NC(=O)N[C@@H](C)c2cccc(Br)c2)cc1OC 40103453 VYXHFYALVCFYNL-LBPRGKRZSA-N 393.281 4.657 0 40 GJAB C[C@@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3cccs3)c2c(=O)[nH]1 40388457 WTBMKIHBIZDIFM-MYSGNRETSA-N 386.480 4.633 0 40 GJAB COc1ccc(-c2nc(CN3CCC[C@H]3c3ccc(OC)cc3OC)co2)cc1 42754197 ABPUMKYDUBNWDR-NRFANRHFSA-N 394.471 4.705 0 40 GJAB Cc1ncc(CN(C)[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)s1 57997392 MSUGWWRQJKEAKC-HNNXBMFYSA-N 381.501 4.703 0 40 GJAB Nn1cc(-c2ccccc2)nc1SCc1coc(-c2ccccc2Cl)n1 64361903 MPYZSHLAEILEQZ-UHFFFAOYSA-N 382.876 4.865 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC[C@@]2(CC=CCC2)C1 72284962 HRYZQZNFKTYSSX-YKSBVNFPSA-N 392.547 4.638 0 40 GJAB O=C(Cc1ccc(O)cc1)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 72338408 BJPFZLOSEPABPG-GOSISDBHSA-N 382.485 4.795 0 40 GJAB Cc1cccc(-c2nc3cc(F)ccc3n2C)c1OCc1noc(C(C)C)n1 95452517 PPTUFGBWSXUNHY-UHFFFAOYSA-N 380.423 4.773 0 40 GJAB CC(C)n1c([C@@H](C)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)nc2ccccc21 95941370 HGQMZYPPJOJDLH-ZIAGYGMSSA-N 386.446 4.573 0 40 GJAB O=C([C@@H]1CSc2ccccc2O1)N(Cc1ccccc1C(F)(F)F)C1CC1 95957716 WTKIMGBPTUWFDP-KRWDZBQOSA-N 393.430 4.750 0 40 GJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 100031974 ALQWNGCYQQTPAT-VPBXCIAMSA-N 393.486 4.925 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)C[C@H](c2cccs2)C1 102709905 URNTYBFRRNEZPE-YPMLDQLKSA-N 384.411 4.683 0 40 GJAB Cn1c(Cl)cnc1COC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 104417675 FVHAPPNJIPZENL-TUKZGULFSA-N 384.907 4.655 0 40 GJAB COc1cccc(OCCNC(=O)c2ccc(CSc3ccccc3)cc2)c1 223393489 UVEZGGIFYPZEFX-UHFFFAOYSA-N 393.508 4.796 0 40 GJAB CCOCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCC 224701000 ZGFGGZIWEFGWOL-UHFFFAOYSA-N 393.867 4.545 0 40 GJAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1N1CCCC1 226324343 YEHZSNICQVMJGC-UHFFFAOYSA-N 388.309 4.501 0 40 GJAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1cccc2ccccc12 245015301 LUYGUMMQLFCANC-NRFANRHFSA-N 379.506 4.629 0 40 GJAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 408563708 WSWHWNXWOUDBIJ-UHFFFAOYSA-N 397.500 4.514 0 40 GJAB CCC(=O)NC(=S)NCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 408623863 SLWXBNXVIGXQBM-UHFFFAOYSA-N 381.501 4.519 0 40 GJAB CCSc1ccccc1C(=O)NC[C@H](c1ccsc1)n1nc(C)cc1C 618256104 NHAADGLGHDHYDH-GOSISDBHSA-N 385.558 4.693 0 40 GJAB CN(Cc1c(OCc2ccccc2)ccc2ccccc12)C(=O)c1cncc(O)c1 1558598495 MUGFDKSIOIZTEE-UHFFFAOYSA-N 398.462 4.792 0 40 GJAB Cc1cc(F)ccc1CC(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615117826 CKLDVYGFSKKOJJ-DEOSSOPVSA-N 398.497 4.866 0 40 GJAB CC(C)(C)NC(=O)COc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 679425 RKIORVQXLARCJA-UHFFFAOYSA-N 381.303 4.899 0 40 GJAB O=C(N[C@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl)c1ccccn1 836884 VWUNBPSXWCMXTP-KRWDZBQOSA-N 394.689 4.773 0 40 GJAB CCN(c1ccccc1)[C@H]1SC(=O)N(c2ccc(Br)cc2)C1=O 969785 LBQHRHCFYYRQDX-INIZCTEOSA-N 391.290 4.502 0 40 GJAB Cc1cc(C)c2cc3c(N)c(C(=O)N4CCc5ccccc5C4)sc3nc2c1 1343015 ADDHIHGHWRMLFA-UHFFFAOYSA-N 387.508 4.847 0 40 GJAB aggregator CCCc1nc2oc3c(N4CCCCC4)ncnc3c2c2c1COC(C)(C)C2 2206025 QWOSECPXVHWSKH-UHFFFAOYSA-N 380.492 4.565 0 40 GJAB CC[C@@H](C)OC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2428563 ZVYLPZVCMXBRLD-GFCCVEGCSA-N 394.862 4.765 0 40 GJAB COCCn1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc21 2620507 YVVPGIBKNSTSIX-UHFFFAOYSA-N 391.496 4.567 0 40 GJAB COc1ccc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)cc1OC 3167517 HRTDQUYJASWRKJ-UHFFFAOYSA-N 396.440 4.881 0 40 GJAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1cccc(Cl)c1 3336273 VYOYNEKLWBDGOA-UHFFFAOYSA-N 382.634 4.608 0 40 GJAB CCc1ccc2nc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)sc2c1 3437880 OFHIFLIJZUZHCM-SNVBAGLBSA-N 383.498 4.544 0 40 GJAB COc1ccc(NC(=O)C[C@@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)cc1 4043059 IVYTXXQCTQTSQX-ISKFKSNPSA-N 397.515 4.805 0 40 GJAB biogenic CC[C@H](C)NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 5043392 PEGYPUSVUKPHLJ-NSHDSACASA-N 387.427 4.542 0 40 GJAB Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1=O 5269178 TXJLUADTNXDGGL-UHFFFAOYSA-N 387.266 4.764 0 40 GJAB Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3)=NN1C1(CCN(C)CC1)O2 5297859 WSYCOLYBQFRUFP-FQEVSTJZSA-N 381.907 4.614 0 40 GJAB O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccc(F)cc1)SCC(O)=N2 5763614 GUQPHVVKQDFQQW-KRWDZBQOSA-N 375.469 4.635 0 40 GJAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)[C@@H]1C 6586344 ZZFHFFUXAZDPBV-LZJOCLMNSA-N 381.472 4.577 0 40 GJAB O=C(CSc1nc2cc(Cl)ccc2s1)NCCCc1ccccc1 6788680 IZLRYMYZLYOKSA-UHFFFAOYSA-N 376.934 4.791 0 40 GJAB COc1ccc(Br)cc1CN(C)C(=O)c1cc(C)nc2ccccc12 6993536 QMJWSXKBHJOVQU-UHFFFAOYSA-N 399.288 4.587 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)Nc2cccc(F)c2)cs1 7940236 TZQYTGDQQAWTOK-ZHACJKMWSA-N 381.432 4.619 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1Cl 8218290 HAPRUABUTFDFBX-LLVKDONJSA-N 397.689 4.947 0 40 GJAB Cc1cc(-c2csc(NC(=O)c3ccc(N4CCCC4=O)cc3)n2)c(C)s1 8275760 NZNUBVOSKPIYRI-UHFFFAOYSA-N 397.525 4.868 0 40 GJAB COC(=O)c1ccc2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1 8904263 QBTSGXQKHWSFJM-UHFFFAOYSA-N 384.501 4.628 0 40 GJAB Cc1cc(Br)ccc1NC(=O)c1ncc(-c2ccc(F)cc2)o1 9321927 BXNPKHOOZHBUQF-UHFFFAOYSA-N 375.197 4.804 0 40 GJAB CCN(CC)C(=S)S[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 9387837 FAWKDVILEWMEQR-NSHDSACASA-N 397.566 4.636 0 40 GJAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 12170351 GXXOWKVSFUEDIJ-MHGTVPHKSA-N 397.603 4.872 0 40 GJAB Cc1nn(Cc2ccc(Cl)cc2)c2nc(-c3ccccc3)cc(C(=O)O)c12 12395952 IBAJNSURVSGOMV-UHFFFAOYSA-N 377.831 4.807 0 40 GJAB CN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl 12810339 COMUHSXEPBAAIR-HNNXBMFYSA-N 388.792 4.531 0 40 GJAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3cccc(C)c3)s2)cc1 12999759 CEMHOSLCSRQRRI-BOPFTXTBSA-N 383.904 4.822 0 40 GJAB CC[C@@H](Sc1nc(C)c(-c2ccc(O)cc2)[nH]1)C(=O)N[C@@H](C)c1ccccc1 13945132 RTJZXYQOJIUBJC-IFXJQAMLSA-N 395.528 4.839 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 14398563 QHEYHDYXYZPLME-CQSZACIVSA-N 381.900 4.604 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)CC(C)C 14405212 YAFOEARZXSPMBQ-UHFFFAOYSA-N 390.487 4.726 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccccc1F 20047816 HLQSKPFTENQUSA-LJQANCHMSA-N 375.509 4.650 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(CCc1cccc(F)c1)CO2 20502672 LFEXYCMDCPWVGZ-UHFFFAOYSA-N 393.458 4.514 0 40 GJAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 25302110 AIADJPMYCPGYTO-YVEFUNNKSA-N 375.428 4.552 0 40 GJAB CCCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1 27794973 RLDFIEPTRBBJHA-IBGZPJMESA-N 386.561 4.884 0 40 GJAB C[C@H]1Cc2cc(-c3cc(C(=O)Nc4cccc(Br)c4)no3)ccc2O1 28286966 IYIZNJNOBPPJMD-NSHDSACASA-N 399.244 4.680 0 40 GJAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)c(Cl)c1Cl 30758029 PHDNVCWYRDNTIR-LBPRGKRZSA-N 388.316 4.658 0 40 GJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1ccc(C)cc1C 33317625 IKSYBHKMKCORNK-OAQYLSRUSA-N 391.515 4.806 0 40 GJAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1cc(F)ccc1Br 36392621 FQHDPVLWIDNLGW-UHFFFAOYSA-N 394.137 4.676 0 40 GJAB Clc1ccccc1Cn1cc(CNCCCn2ccnc2)c2ccccc21 39279945 MONKNFAZRHGLJT-UHFFFAOYSA-N 378.907 4.719 0 40 GJAB O=C(NCc1ccncc1)c1cc(-c2nc3ccccc3s2)nc2ccccc12 40052282 WRFXGKGITDYOIA-UHFFFAOYSA-N 396.475 4.837 0 40 GJAB CC(C)(C)[C@@H](NC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccs1 40150615 ZKXCAFPASUFKAX-SFHVURJKSA-N 385.533 4.893 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)Nc3c(Cl)cccc3Cl)n2)cc1 41001948 UKINURLKCFYFPL-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2cccc3ccccc23)[nH]n1 44839384 WRFNXZXQQNFEKV-UHFFFAOYSA-N 380.451 4.684 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)no2)cc1 46086612 RMCJZEBXGXMUPL-UHFFFAOYSA-N 386.477 4.748 0 40 GJAB COc1ccc(-c2csc(NC(=O)Cc3cn(C)c4ccccc34)n2)cc1F 48311534 UDTBRRAHOBRXJP-UHFFFAOYSA-N 395.459 4.631 0 40 GJAB COc1ccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc23)cc1 49005382 SVSXQXZYAJGCQB-OAHLLOKOSA-N 390.487 4.563 0 40 GJAB Cc1c(CN2CCSCC2)cccc1NC(=O)c1[nH]c2ccccc2c1Cl 61596645 WZKISGAEDZUOFF-UHFFFAOYSA-N 399.947 4.931 0 40 GJAB O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(Cl)c(Cl)c1Cl 72414272 DWUFOJQZQUEQPG-UHFFFAOYSA-N 387.675 4.996 0 40 GJAB Cc1ccc2nc(C)c(C(=O)Nc3ccccc3NC(=O)N3CCCC3)cc2c1 84208273 HTFBMCDHKAJXSX-UHFFFAOYSA-N 388.471 4.732 0 40 GJAB CC(C)n1c([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)nc2ccccc21 95941368 HGQMZYPPJOJDLH-KGLIPLIRSA-N 386.446 4.573 0 40 GJAB CCCOc1c(Cl)cc(CN[C@H](CN(C)C)c2ccccc2)cc1OC 96971443 IGOKVFMKQPTQOL-LJQANCHMSA-N 376.928 4.530 0 40 GJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CCC(=O)OC[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100362797 IWMSSVYTWMLNDF-TXYRBWNGSA-N 388.548 4.593 0 40 GJAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cc(C(F)(F)F)ccc1Cl 102180240 JQBLFYHXYVTCCH-SRVKXCTJSA-N 389.801 4.667 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCCc2cccc(C)c21 102422799 JMJNOEYPNAXHGU-UHFFFAOYSA-N 380.469 4.803 0 40 GJAB c1csc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 106617385 KHSLOHXNPCVGOQ-VGOFRKELSA-N 390.464 4.762 0 40 GJAB O=C(c1csc(-c2ccccc2)n1)N(CCc1cccs1)C1CCOCC1 206674752 MKESTYUUESYPSW-UHFFFAOYSA-N 398.553 4.736 0 40 GJAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)c(Br)c1 218867760 BIZOVEIPONKCCA-OAHLLOKOSA-N 390.321 4.885 0 40 GJAB Cc1nccn1Cc1ccc(C(=O)NCCCc2cccc3ccccc23)cc1 225299624 VLIHMAQLFAWCGM-UHFFFAOYSA-N 383.495 4.756 0 40 GJAB Cc1ccccc1CSCCNC(=S)Nc1ccc(Br)cc1 225360259 KOXVBYGKPLILIS-UHFFFAOYSA-N 395.391 4.977 0 40 GJAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cc(Cl)cc(Cl)c1 225799754 VYXDLIUBLKPZFQ-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB COC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 226333605 XNTDEAUHGWXTEQ-VQHVLOKHSA-N 381.653 4.868 0 40 GJAB COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)N4CCC[C@]34C2)cc1 247889274 MJHIRDUYWMUNHY-VJBMBRPKSA-N 382.935 4.760 0 40 GJAB Cc1ccc([C@@H]2CCCCN2C(=O)NC[C@@]2(C)OCCc3ccccc32)cc1 1684959168 QNLPQOWDVYERHW-LADGPHEKSA-N 378.516 4.720 0 40 GJAB COc1ccc(C(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n23)cc1 902971 YBGPVWPLOVKOSS-UHFFFAOYSA-N 391.496 4.791 0 40 GJAB CC1=CC[C@](C(=O)O)(C(=O)NCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 1085992 WQJKFIJPSPUYME-DENIHFKCSA-N 383.875 4.551 0 40 GJAB COc1ccc(C(=O)CSc2nnc3c(C)cc4cc(C)c(C)cc4n23)cc1 1223229 QPPPQZYQCKRSDR-UHFFFAOYSA-N 391.496 4.791 0 40 GJAB CN(C)c1ccc(/C=C/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 2062273 YPJIQOCDYBUYOF-DWLNNUISSA-N 384.501 4.854 0 40 GJAB CC[C@H](C)OC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2428564 ZVYLPZVCMXBRLD-LBPRGKRZSA-N 394.862 4.765 0 40 GJAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 2488046 ARALTDJIGJRMAW-XMMPIXPASA-N 379.500 4.591 0 40 GJAB O=C(NC1CCCC1)C1CCC(CNc2nc(=S)[nH]c3ccccc23)CC1 2949126 FKEKYVLZFZMNOL-UHFFFAOYSA-N 384.549 4.569 0 40 GJAB CCCCC(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 4078261 JRBDYXDLBIGHJP-UHFFFAOYSA-N 386.340 4.722 0 40 GJAB COc1ccccc1-c1nnc(NC(=O)c2ccc(Cc3ccccc3)cc2)o1 4276018 BNQQPIIGXSTKCZ-UHFFFAOYSA-N 385.423 4.588 0 40 GJAB COc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 4312933 GVYVJCZRZCFCBD-GOSISDBHSA-N 387.505 4.505 0 40 GJAB COc1cccc(C(=O)Nc2nc3c(Cl)cc(Cl)cc3s2)c1OC 4479383 NPMPSFPCCGIJFX-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB C[C@@H]1CCC[C@H](N2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 4745307 UWADVROSAKPYEC-QDSKXPNFSA-N 382.592 4.758 0 40 GJAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCCc4ccccc43)ccc21 5033454 OUPKQDRFIYUYHK-HSZRJFAPSA-N 383.447 4.734 0 40 GJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)C1=Cc2ccccc2OC1 5034299 KDTCZPWXNUNBIA-UHFFFAOYSA-N 382.872 4.802 0 40 GJAB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NC1CCCC1 5242841 COWLNWLOGXGXPX-OAHLLOKOSA-N 377.513 4.836 0 40 GJAB CCn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1cccs1 5313411 FFRNJNRCORLTST-UHFFFAOYSA-N 393.921 4.743 0 40 GJAB COc1ccc2nc(NC(=O)CSc3ccc4ccccc4n3)sc2c1 5627584 ZYPFUTKWYUAYHF-UHFFFAOYSA-N 381.482 4.584 0 40 GJAB O=C(NCc1ccccn1)c1ccccc1OCc1ccc(Cl)cc1Cl 5687593 ATBPECQWQYGCQV-UHFFFAOYSA-N 387.266 4.897 0 40 GJAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1cccc(Cl)c1 6461117 HWDAWLCQERATRX-UHFFFAOYSA-N 380.831 4.610 0 40 GJAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cccc2ccccc12 6529830 BPKCKEDOOONDKJ-UHFFFAOYSA-N 392.414 4.893 0 40 GJAB C[C@@H](c1nc2scc(-c3cccs3)c2c(=O)[nH]1)N1CCc2ccccc21 7503672 SKVKZRVVSAULLA-LBPRGKRZSA-N 379.510 4.837 0 40 GJAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1cccc(Cl)c1Cl 7927268 DMGSUOSZNMFJLV-CYBMUJFWSA-N 399.343 4.675 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccccc1CN1CCCC1 8040270 MMEIZADFBDQTPX-UHFFFAOYSA-N 391.540 4.644 0 40 GJAB CCc1ccc(NC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3)cc2)cc1 8040539 PHXSZBDCBCUSML-UHFFFAOYSA-N 393.508 4.616 0 40 GJAB O=C(COc1ccccc1Cl)N1N=C(c2cccs2)C[C@H]1c1ccco1 8264372 UPLKDNITKYFLGL-HNNXBMFYSA-N 386.860 4.751 0 40 GJAB CCc1ccc(-c2noc(CSc3nnc(-c4ccccc4C)o3)n2)cc1 8327462 QNPQVADBMPTVDS-UHFFFAOYSA-N 378.457 4.950 0 40 GJAB O=C(CSc1nnc(C2CC2)o1)N(Cc1ccc(F)cc1)C1CCCCC1 9833830 QVFPWBFZYYECGF-UHFFFAOYSA-N 389.496 4.540 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(OCC(=O)NCCC3=CCCCC3)cc2)c1 9836713 WJTKCHZNLJRFED-UHFFFAOYSA-N 392.499 4.633 0 40 GJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(C)c2)cc1 11116411 VFAXQWYIGCJSEP-SFTDATJTSA-N 393.512 4.511 0 40 GJAB CC(C)C[C@@H](NC(=O)Cc1ccc(F)cc1)c1nc2cccnc2n1C(C)C 12114118 MOUQYKWXSXIWHQ-LJQANCHMSA-N 382.483 4.597 0 40 GJAB Cc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cccc(Cl)c2Cl)C3)nc1 12135271 YTZBYXFPBQIQNM-QRTHJKPMSA-N 391.342 4.817 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ncoc1-c1cccc(Cl)c1 12144676 MXFLIOXUXUTNRX-UHFFFAOYSA-N 382.832 4.766 0 40 GJAB O=C(NCCCn1c(-c2ccc(F)cc2)cc2cccnc21)[C@H]1CC=CCC1 12327462 SWQWXLDGKJBYQN-SFHVURJKSA-N 377.463 4.705 0 40 GJAB CC(C)n1c(SCC(=O)N[C@@H](C)CCc2ccccc2)nc2ccccc21 12640160 IWBBEWZOKGSDHH-KRWDZBQOSA-N 381.545 4.847 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 12770728 UZXSHYMEBMVFFP-NSHDSACASA-N 390.411 4.671 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CSCc1csc(-c2ccco2)n1 12919470 XTJRDKHOWRCYRX-UHFFFAOYSA-N 394.905 4.937 0 40 GJAB O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)s1)C1CC1 12924460 WTALJAZJWZJSCR-UHFFFAOYSA-N 386.498 4.594 0 40 GJAB COc1ccc([C@@H](CNc2ncnc3sc4c(c23)CCCCC4)N(C)C)cc1 13040753 VYIATPQRIIARQV-GOSISDBHSA-N 396.560 4.684 0 40 GJAB Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 13069874 ZSFGOQBLZUPXTQ-OAQYLSRUSA-N 389.455 4.526 0 40 GJAB CCc1ccc(Nc2nnc(S[C@H](C)C(=O)N3CCC(C)CC3)s2)cc1 13135282 DICTVPRXWTVENY-CQSZACIVSA-N 390.578 4.583 0 40 GJAB Cc1ccc(NC(=O)c2cc(-n3cccn3)ccc2Cl)c(-c2cc(C)n[nH]2)c1 19715185 DTORLUKIIFNEEU-UHFFFAOYSA-N 391.862 4.785 0 40 GJAB COC(=O)c1ccccc1NC(=O)CCc1sc(C)nc1-c1cccs1 19819524 BMYONHFHEWVUAJ-UHFFFAOYSA-N 386.498 4.538 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(C)cc2)sc2c1CCC2 20242021 KBEUEQKHIFRYQV-ZDUSSCGKSA-N 389.542 4.841 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2CC)cc1OCC 20489841 WWPFNWZGZMWMOV-IRXDYDNUSA-N 385.504 4.691 0 40 GJAB CCc1ccc(Cn2nccc2NC(=O)c2ccc(Br)s2)cc1 21599539 JREYLQNIVUMOGS-UHFFFAOYSA-N 390.306 4.570 0 40 GJAB Cc1nc(CSc2ccc(C(=O)NCCCOc3ccccc3)cc2)cs1 23040967 ZYSFPFKOBKIELQ-UHFFFAOYSA-N 398.553 4.943 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cc1cccs1)CC2 24445051 IIICXNVFCKNNQU-NRFANRHFSA-N 399.537 4.544 0 40 GJAB CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 25988392 NXXDZLGDMFDCAM-UHFFFAOYSA-N 388.336 4.648 0 40 GJAB Cc1cccc(CSc2nc(=O)n(CCc3ccccc3)c3c2CCC3)c1 28287626 OSHNYKBFDXPQPJ-UHFFFAOYSA-N 376.525 4.575 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1noc(-c2cccc3ccccc23)n1 32623933 JYFFDMZNSYOVOO-UHFFFAOYSA-N 379.803 4.561 0 40 GJAB C[C@H](NC(=O)CCSc1nc2ccccc2s1)c1ccc(F)cc1F 32768623 UQMNDEWEIZIWKP-NSHDSACASA-N 378.469 4.934 0 40 GJAB O=C(c1ccc(SCc2csc(Nc3ccccc3)n2)nc1)N1CCCC1 36391469 IPKQQVRJNNPERO-UHFFFAOYSA-N 396.541 4.810 0 40 GJAB COc1cc(C2(CNC(=O)c3sccc3C)CCCC2)ccc1OC(F)F 36391851 BGQADPZHLPVHRD-UHFFFAOYSA-N 395.471 4.908 0 40 GJAB Cc1cnc2c(S(=O)(=O)N(C)[C@H](C)c3nc4ccccc4s3)cccc2c1 39551369 NYRMZTLNUZQJLW-CQSZACIVSA-N 397.525 4.535 0 40 GJAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 44786466 XKLMVFKRJGUZHK-CYBMUJFWSA-N 381.278 4.983 0 40 GJAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1Cl 48325318 WZQDWZQNOHZUIY-UHFFFAOYSA-N 390.848 4.697 0 40 GJAB COc1ccc2cc(CNCc3ccc(NC(=O)NC(C)C)cc3)ccc2c1 48784848 YICNRYFNBSIYTM-UHFFFAOYSA-N 377.488 4.668 0 40 GJAB Cc1cc(-c2csc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)on1 49550140 YYLYQVVARPNXDT-UHFFFAOYSA-N 388.392 4.531 0 40 GJAB Nc1c(Cl)cc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1Cl 55292747 KDDKKXRHPACPKU-UHFFFAOYSA-N 396.255 4.735 0 40 GJAB CC(C)CCN(CCC(C)C)C(=O)CSc1nccc(C(F)(F)F)n1 58583787 TYOYXJBCFBUNCT-UHFFFAOYSA-N 377.476 4.508 0 40 GJAB CC(C)CC(=O)Nc1nc2cc3sc(NC(=O)CC(C)C)nc3cc2s1 67341083 FNTBJCMGOISMCY-UHFFFAOYSA-N 390.534 4.875 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Oc3ccccc3)nc2)cc1 72212149 BUGBKBDVVZPOTB-NRFANRHFSA-N 394.496 4.708 0 40 GJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(F)c(Br)c1 96635053 ZAWCHPZAKLZYGP-RIYZIHGNSA-N 380.600 4.586 0 40 GJAB CCN(CC)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@@H]32)cc1 101113431 CHKIYNDAMSPSOR-YGTYDBBMSA-N 386.586 4.935 0 40 GJAB Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)nc1-c1ccc(C(C)C)cc1 102208864 MEWDQCJFDVNYIZ-XSLAGTTESA-N 396.512 4.703 0 40 GJAB C[C@@H](NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103036392 HUJBDQZODZRTGQ-IDVKNYFZSA-N 393.483 4.577 0 40 GJAB COc1cccc([C@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1OC 169702381 ZDNWPEVWMMJZJR-XAWFZLGRSA-N 379.456 4.699 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN(C)c1ccccc1 219355325 LNQLDMVBLVKKNI-HSZRJFAPSA-N 376.500 4.640 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219565361 KXGBMBGNFZNLJL-QZTJIDSGSA-N 383.488 4.580 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc2ccccc2c1 222802968 PQUVPFZILYOVSW-AWEZNQCLSA-N 384.273 4.686 0 40 GJAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C 223092417 KBRLQTMFTRQBIA-NHCUHLMSSA-N 382.577 4.825 0 40 GJAB Cc1ccc(NC(=S)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 225456323 VSMWIXRNMJYJBI-UHFFFAOYSA-N 380.517 4.829 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2cccc(Br)c2)cc1 225618393 DDGXDXAUOGMJDB-IBGZPJMESA-N 390.321 4.904 0 40 GJAB Cc1cccc(C)c1NC(=O)c1snnc1-c1ccc(Br)cc1 225783063 IBVNTXJGGSSWPA-UHFFFAOYSA-N 388.290 4.837 0 40 GJAB O=C(O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226344885 MDXQETUFNKZVNA-UHFFFAOYSA-N 386.032 4.997 0 40 GJAB COc1cc(C(=S)NCc2ccco2)ccc1OCc1ccccc1Cl 408578358 XTGMELQHARPNIK-UHFFFAOYSA-N 387.888 4.986 0 40 GJAB CCOc1ccccc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 408628483 YCBQQDNKPZMEQA-UHFFFAOYSA-N 385.460 4.620 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(F)cc2)cc1 408696998 DLZLJDQDGRNDOU-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB COc1cc(CNc2cc(C)ccc2C)cc(I)c1OC 409122138 ZRRYZETYRXEGTP-UHFFFAOYSA-N 397.256 4.537 0 40 GJAB O=C(COC(=O)/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 1962546 JFQNMRQBSXXJJR-RMKNXTFCSA-N 383.753 4.554 0 40 GJAB CCOC(=O)c1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 2220674 ASFUEZQZQZWQLY-UHFFFAOYSA-N 394.434 4.812 0 40 GJAB CCCCOC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 2363806 HCSNMYSFNPOEDU-UHFFFAOYSA-N 387.443 4.516 0 40 GJAB CN(C(=O)c1c(F)cccc1F)[C@@]1(c2ccccc2Cl)CCCCC1=O 3241550 FUJMMLKZDWKSQP-HXUWFJFHSA-N 377.818 4.729 0 40 GJAB COC(=O)c1ccc([C@H]2Oc3ccccc3CN2c2ccccc2OC)cc1 3342840 RSKURNTXOLAIHD-JOCHJYFZSA-N 375.424 4.580 0 40 GJAB COc1ccc([C@H]2CN3C(=O)c4ccccc4[C@H]3c3[nH]c4ccccc4c32)cc1 4085165 HOTPJNHJORDMLS-YKSBVNFPSA-N 380.447 4.867 0 40 GJAB biogenic Cc1ccccc1[S@](=O)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 4682712 PBECMKNRFIKDCK-VWLOTQADSA-N 390.917 4.518 0 40 GJAB COc1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccc(C)cc2)cc1 4887979 XFOGBLJIRIVPMT-FRIKZZABSA-N 393.531 4.711 0 40 GJAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)NC1CCCC1 5040047 CSNQRXOAYNQMFQ-UHFFFAOYSA-N 387.505 4.648 0 40 GJAB O=C(NCCCc1nc2ccccc2n1CCC1CCCCC1)c1ccco1 5235808 QJXDUMILCFKIHU-UHFFFAOYSA-N 379.504 4.962 0 40 GJAB CN(C)CCCN(C(=O)CCSc1ccccc1)c1nc2ccccc2s1 5239884 KFBXWPZAOCTCAI-UHFFFAOYSA-N 399.585 4.763 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2OC)cc1OC 5558428 IMRGPHXOHUDZIO-UHFFFAOYSA-N 394.265 4.507 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1Cl 6234147 SHKYIFFDAYZHGG-UHFFFAOYSA-N 389.691 4.788 0 40 GJAB O=C(COc1ccccc1)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 6732787 KHQMYAAXKGYGHO-UHFFFAOYSA-N 389.382 4.820 0 40 GJAB CC(=O)Nc1ccccc1OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 7263203 PWGCKFFHXAPRGN-HSZRJFAPSA-N 393.414 4.971 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Oc2ccc(-c3nnco3)cc2)c2ccccc2)cc1 7441086 SMODRNBNESOYGE-NRFANRHFSA-N 385.423 4.804 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 10493339 VRZRCJWYJPKCQY-UHFFFAOYSA-N 383.329 4.868 0 40 GJAB CC(C)Oc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1 10715464 DORGZHQGMISMHU-UHFFFAOYSA-N 398.684 4.907 0 40 GJAB Cc1c(Cl)ccc(OCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1C 12138053 CCESUHTXXKXSAC-SFHVURJKSA-N 389.879 4.532 0 40 GJAB Cc1ccc(CNC(=O)c2sc(=S)n(-c3ccc(Cl)cc3)c2N)cc1 12415453 LWAPNXGYZXUISY-UHFFFAOYSA-N 389.933 4.742 0 40 GJAB COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)c(OC)c1OC 12746024 QBBGQEBAFBJURH-UHFFFAOYSA-N 391.467 4.868 0 40 GJAB COc1ccc(CN(CC(F)(F)F)C(=O)CCc2c[nH]c3ccccc23)cc1 12802474 YYYNOYSNVVBXMT-UHFFFAOYSA-N 390.405 4.700 0 40 GJAB Cc1ccccc1/C=C/c1nc(S[C@H](C)C(=O)Nc2ccccc2F)n[nH]1 12845650 KDPJPLTXLMBUTA-GCZGRYASSA-N 382.464 4.542 0 40 GJAB CCn1ncc(CN(Cc2ccccc2F)C2CC(C)(C)NC(C)(C)C2)c1C 13992606 VDHNHNOXIXXQCC-UHFFFAOYSA-N 386.559 4.662 0 40 GJAB O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 14824417 VLSNTBZPPOGATC-UHFFFAOYSA-N 387.407 4.602 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2c(-n3cccc3)sc3c2CCCC3)cc1 15627372 MHLJOBQPYNLCTG-UHFFFAOYSA-N 379.485 4.628 0 40 GJAB Cc1ccc(-c2ccnc(SCC(=O)Nc3ccc(C)c(F)c3)n2)cc1C 15829385 MOKMJDOMHWVPII-UHFFFAOYSA-N 381.476 4.939 0 40 GJAB CNC1CCC2(CC1)CN(C(=O)c1csc(C(C)C)c1)Cc1ccccc1O2 19452216 BAQBHGMKEVXCMU-UHFFFAOYSA-N 398.572 4.807 0 40 GJAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3ccccc3F)N1CC2 19550726 YQDRBIASGDVUCF-RPWUZVMVSA-N 390.458 4.915 0 40 GJAB Cc1noc2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)cc(C(F)F)c12 19563794 JMSASYGYPXHRJJ-AWEZNQCLSA-N 377.435 4.755 0 40 GJAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccccc1C(F)(F)F 20445573 IIXIHAWLQVOPKH-UHFFFAOYSA-N 375.350 4.717 0 40 GJAB Cc1ccc(C(=O)COC(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 24522604 WNGGCBJRDMUUQI-UHFFFAOYSA-N 398.418 4.752 0 40 GJAB COc1ccccc1CCC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 25250242 MFTFWOCFNDWTMQ-UHFFFAOYSA-N 389.455 4.911 0 40 GJAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cccc(Br)c1 33474688 FZMSJWQNSUOIOV-WQLSENKSSA-N 387.664 4.757 0 40 GJAB CCCCn1nc(C)c2c(C(=O)N[C@H](C)CCc3ccco3)cc(C3CC3)nc21 36617026 WGJREANUKVBAEL-OAHLLOKOSA-N 394.519 4.761 0 40 GJAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1noc(C(C)(C)C)n1 45810307 YQYGQLVJRDRHPP-UHFFFAOYSA-N 399.322 4.525 0 40 GJAB Cc1occc1C(=O)Nc1cc(Nc2nccc(C(F)(F)F)n2)ccc1F 52190419 JWVLGXVNWBXILR-UHFFFAOYSA-N 380.301 4.532 0 40 GJAB C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@H](c2ccccc2)O1 65591441 AZGHNCPCNIGPJW-CXAGYDPISA-N 386.904 4.999 0 40 GJAB CCc1nnc(S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)O)o1 213412973 MNMNSAWVCHIIOA-ZROIWOOFSA-N 376.821 4.763 0 40 GJAB Cc1ccccc1CSCCNC(=O)COc1cc(C)c(Cl)c(C)c1 218919172 GPTBGOBDWSIFDZ-UHFFFAOYSA-N 377.937 4.694 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccccc1C(C)(C)C 223732947 GRTBMFPVHIFIFW-OAQYLSRUSA-N 383.532 4.954 0 40 GJAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1 224088866 BVYKIKMXQXSVJG-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB O=C(NCc1ccc(-c2cccnc2)nc1)NC(c1ccccc1)c1ccccc1 225766196 HZSYTBKGVSNCBA-UHFFFAOYSA-N 394.478 4.732 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225802332 AGJKJKMCQREIDP-QFIPXVFZSA-N 393.524 4.822 0 40 GJAB Fc1ccc(CNC(=S)Nc2nc(Cl)cc(Oc3ccccc3)n2)cc1 225951148 PNYKPEPEGZYHJX-UHFFFAOYSA-N 388.855 4.548 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(F)cc2)cc1 408698134 OACLCTFFLOSLKZ-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 409110912 ZPPIMSNUTZBBCU-CQSZACIVSA-N 390.936 4.989 0 40 GJAB Cc1ccc(C(F)(F)F)c(NC(=O)N2CC[C@@]3(C2)OCc2ccccc23)c1 667940780 OLZYBCHWJPZWLG-IBGZPJMESA-N 376.378 4.677 0 40 GJAB O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2ccc(Br)cc21 1127292979 NKEZIGFFPYIIIL-OAHLLOKOSA-N 383.245 4.502 0 40 GJAB COc1ccc(C(=O)Nc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1 623065 VCFDUOPPINNGNB-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)c4ccc(OC)c(OC)c4)c(N)c3cc2C1 661968 BPOTXELOESREBY-GFCCVEGCSA-N 396.512 4.642 0 40 GJAB CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 918433 GLCOOPMJKXAGSA-XJKCOSOUSA-N 396.413 4.541 0 40 GJAB C[C@@H]1CN=C(N(Cc2cccnc2)C(=O)Nc2ccc(Cl)c(Cl)c2)S1 1044119 JRCFROHVFKNNCP-LLVKDONJSA-N 395.315 4.914 0 40 GJAB CCOc1ccc2nc(Cl)c(CN(Cc3ccco3)C(=O)N(C)C)cc2c1 1367887 WAQIVRMBAXYZPG-UHFFFAOYSA-N 387.867 4.564 0 40 GJAB Cc1ccc(-c2cc(C(=O)n3nnc4ccccc43)c3ccccc3n2)cc1C 2198848 FKBQJVHTKQZMAS-UHFFFAOYSA-N 378.435 4.952 0 40 GJAB Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)cc1 2256081 SGSMWVCYVASRLN-BJKOFHAPSA-N 392.462 4.799 0 40 GJAB Clc1ccc2nc(CSc3nc4ccccc4[nH]3)c(Br)n2c1 2267129 YYSJMICXPSGEAE-UHFFFAOYSA-N 393.697 4.919 0 40 GJAB Clc1ccccc1-c1nnc2sc(-c3ccc(Br)cc3)nn12 2422344 PIJBNJDBBDJIAW-UHFFFAOYSA-N 391.681 4.936 0 40 GJAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 2661262 FLDNVYKWMLKLOL-AWEZNQCLSA-N 383.492 4.689 0 40 GJAB CCc1cccc(C)c1NC(=O)COC(=O)CCOc1ccc(C(C)(C)C)cc1 3322721 WWENXZAONLRTMK-UHFFFAOYSA-N 397.515 4.806 0 40 GJAB CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 3577844 LFNDTPPMNWPPCD-UHFFFAOYSA-N 386.565 4.586 0 40 GJAB CCc1cc2c(CSc3nc(C)nc4ccccc34)cc(=O)oc2cc1O 4240962 GFUWVFLBBBGIJM-UHFFFAOYSA-N 378.453 4.605 0 40 GJAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1 4761341 JWRFLZMUWXZPQU-UHFFFAOYSA-N 398.384 4.888 0 40 GJAB Cc1ccc2nc(N(Cc3ccccn3)C(=O)COc3ccccc3)sc2c1 5265063 FSWQVVDPAVWEEO-UHFFFAOYSA-N 389.480 4.612 0 40 GJAB Cc1c(OCC(=O)c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCCCC3 5543863 YIYFVUHUYAUZNA-UHFFFAOYSA-N 380.415 4.771 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 5553456 UBBKWEDWYYSZIE-CQSZACIVSA-N 388.508 4.649 0 40 GJAB c1ccc(-c2cs/c(=N\c3cccnc3)n2Cc2ccc3c(c2)OCO3)cc1 5658258 ODOCPGTVHUOZHM-GYHWCHFESA-N 387.464 4.621 0 40 GJAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccccc3Cl)n2)cc1 5692115 KAAJLTKLVFMOPH-UHFFFAOYSA-N 386.860 4.567 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)CCS(=O)(=O)c3ccccc3)cc2)cc1 6460575 DAPNFPYCQLIPFE-UHFFFAOYSA-N 395.480 4.590 0 40 GJAB O=C(CSc1ccc2ccccc2c1)NC[C@H](c1ccco1)N1CCCCC1 6589089 FQNUFAOPDMZDGS-OAQYLSRUSA-N 394.540 4.868 0 40 GJAB CN(C)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 6871447 IPRZVHIRBFLUNL-UHFFFAOYSA-N 393.288 4.916 0 40 GJAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cc3sc4ccccc4c3s2)no1 7144336 DWVBGQYYLWCOND-SNVBAGLBSA-N 386.454 4.596 0 40 GJAB COc1cc(CNCc2ccco2)ccc1OCc1ccc(F)cc1Cl 7523748 VTDADMQQAHTMLM-UHFFFAOYSA-N 375.827 4.950 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(NC3CC3)s2)c2ccccc2)cc1 7577494 QLERAYUSGSRBQL-KRWDZBQOSA-N 396.541 4.893 0 40 GJAB Cc1ccc(-c2noc(SCC(=O)Nc3ccc4ccccc4c3)n2)cc1 7605004 WQFKVBRBUDRDRV-UHFFFAOYSA-N 375.453 4.929 0 40 GJAB COc1ccc(CN(CC(=O)Nc2cccc(Cl)c2Cl)C2CC2)cc1 7661850 RPFXLLJVTRKXGW-UHFFFAOYSA-N 379.287 4.605 0 40 GJAB Fc1cc(Br)ccc1CSc1nnnn1-c1cccc(Cl)c1 7813743 QPGRTWOODJTTNP-UHFFFAOYSA-N 399.676 4.510 0 40 GJAB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)(C)C)cc1 9191050 PRDPWVOKGLWBFY-UHFFFAOYSA-N 392.499 4.815 0 40 GJAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4cccs4)ccc3o2)cc1 9660067 BUBDPAGTXJSTJK-UHFFFAOYSA-N 377.421 4.782 0 40 GJAB biogenic CCOc1ccc([C@H](C)NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 10366729 WNXHAZUXCXBCKH-KSFYIVLOSA-N 398.503 4.614 0 40 GJAB Cc1cccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1cccc(Cl)c1Cl)C2 12135227 LAUDPYYUXVDWKJ-QRTHJKPMSA-N 391.342 4.817 0 40 GJAB CCN(CC)c1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2ccc(F)cc12 12437891 FLLNPZQLQXCZHI-UHFFFAOYSA-N 392.883 4.706 0 40 GJAB CC(=O)c1csc(NC(=O)c2oc3ccccc3c2COc2ccccc2)n1 12763122 VRWOOUCBDOSRMY-UHFFFAOYSA-N 392.436 4.923 0 40 GJAB COc1cccc(-c2nc(C(=O)Nc3cccc(SC)c3)cs2)c1OC 12824121 PHQFZYQFSKVKDZ-UHFFFAOYSA-N 386.498 4.802 0 40 GJAB COc1ccc([C@@H]2CCCCCN2Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 12851740 SQYFUXLLUVNUBI-FQEVSTJZSA-N 397.906 4.702 0 40 GJAB O=C(N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1(c2ccc(Cl)cc2)CCC1 12940140 ABTJJYHTUWCVNE-LJQANCHMSA-N 397.902 4.897 0 40 GJAB Cc1ccc(OCc2nc(C)c(C(=O)N(C)Cc3cccc(F)c3)s2)cc1 12997525 JETZGAWSIHILJX-UHFFFAOYSA-N 384.476 4.750 0 40 GJAB CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)[C@@H](CC)c1ccccc1 13611049 ITXPEQJSUBKUNC-SFHVURJKSA-N 388.471 4.719 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1 13695258 HBCQFDYYWUFJLC-UHFFFAOYSA-N 380.488 4.661 0 40 GJAB O=C(CCSc1nc2ccccc2s1)Nc1ccc2c(c1)OCCCO2 14158108 BJHIZWLOHCWSMS-UHFFFAOYSA-N 386.498 4.579 0 40 GJAB CCOc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccccc1Cl 20175721 XIZOQTQNZXJKJK-UHFFFAOYSA-N 397.346 4.622 0 40 GJAB Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 20408331 INMWXYOZIIYNTN-UHFFFAOYSA-N 397.525 4.605 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 22134928 LRMXVLPECUIAFM-DEOSSOPVSA-N 390.483 4.680 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3Cc3ccccc3)s2)cc1 25518916 KZUGTFOXZIHHTK-IBGZPJMESA-N 392.524 4.974 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl 27386655 KSMTUZBOZBNSDY-CQSZACIVSA-N 390.936 4.740 0 40 GJAB Cc1ccc(C)c(Nc2nc(NCc3ccccc3Cl)nc3c2cnn3C)c1 27666404 GAFBBMQOZZNKRR-UHFFFAOYSA-N 392.894 4.989 0 40 GJAB Cc1cccc(Cn2cc(Br)c(NC(=O)C3CCCCC3)n2)c1 28228764 DKPFRBSVDXMQPJ-UHFFFAOYSA-N 376.298 4.521 0 40 GJAB Cc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 28292241 PEWGWHZNZWRBGL-QGZVFWFLSA-N 397.906 4.916 0 40 GJAB C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 32664748 QFNYSNSPCNAFDR-LLVKDONJSA-N 392.735 4.771 0 40 GJAB Cc1nc(C2(NC(=O)/C=C/c3ccc(Cl)c(C(F)(F)F)c3)CCCC2)no1 32901912 VJNKOWWZAFKNLP-FNORWQNLSA-N 399.800 4.649 0 40 GJAB COc1ccccc1C(=O)Nc1ccccc1NC(=O)/C=C\c1cccs1 36709602 DEVDVEAUPXKYCY-SEYXRHQNSA-N 378.453 4.661 0 40 GJAB COc1cc(CSc2nc(N)c3c(C)c(C)sc3n2)ccc1OC(F)F 36820581 OSBMQDNWRKKMCL-UHFFFAOYSA-N 397.472 4.793 0 40 GJAB O=C(Oc1ccc(Cl)c2ccccc12)[C@H]1CCCN(C(=O)c2ccoc2)C1 37170389 STPPSYPGXZWKGP-AWEZNQCLSA-N 383.831 4.544 0 40 GJAB CSc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 38677971 TVZLIKCDSRLSFF-UHFFFAOYSA-N 394.521 4.925 0 40 GJAB CC(C)c1ccc(CN2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 40071656 FPGLVYMQKXLIAM-UHFFFAOYSA-N 376.544 4.607 0 40 GJAB Cc1ncsc1C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 43269421 CMGBUAKGJTWYCS-UHFFFAOYSA-N 394.319 4.898 0 40 GJAB CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1C 44856654 JZENEUNVXLQDIP-NZQKXSOJSA-N 382.523 4.922 0 40 GJAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc(OC(C)C)cc4)no3)o2)cc1C 49405321 JEUNLYXJFKOGOJ-UHFFFAOYSA-N 390.443 4.781 0 40 GJAB COc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1Cl 51364573 RLQUEMLASNUNPC-MRXNPFEDSA-N 394.858 4.507 0 40 GJAB Cc1ccc(S(=O)(=O)c2nc(N(C)c3ccccc3)sc2Cl)cc1 57291943 AVANAZJDRCWSLS-UHFFFAOYSA-N 378.906 4.706 0 40 GJAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 59922684 GSQWIHYTSAPGQK-QGZVFWFLSA-N 380.488 4.589 0 40 GJAB CCc1ccccc1NC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 65565532 LPZAVJGDSVAHIU-UHFFFAOYSA-N 381.303 4.972 0 40 GJAB CC(=O)N1CCCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 72214592 FSKZTGVOXQQUPA-SFHVURJKSA-N 375.513 4.553 0 40 GJAB COc1ccccc1-c1nccnc1[C@H]1CCCN(Cc2ccc(F)cc2)C1 72358387 WVPDJPDOEZMFIH-SFHVURJKSA-N 377.463 4.671 0 40 GJAB Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccc(Br)c1 77100985 DJLYZTQBINRDCV-UHFFFAOYSA-N 387.302 4.811 0 40 GJAB C[C@](O)(CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccc(F)cc1 89900567 SVJBGCQAPJHYIS-GMAHTHKFSA-N 395.499 4.683 0 40 GJAB Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1 90443175 RCQUCMYEGJIJQZ-AREMUKBSSA-N 396.538 4.779 0 40 GJAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1 102703812 SOZJITLHFNOERV-JTSKRJEESA-N 386.455 4.660 0 40 GJAB CCC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925175 PXAQXJHLKRPDJD-DLKBGQMWSA-N 388.548 4.735 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(F)c3)N21 222706464 ODIOEDGEFABIEH-TYCQWZJGSA-N 392.503 4.991 0 40 GJAB O=C(CSCc1c(Cl)cccc1Cl)NCCOCc1ccccc1 223443433 LGQSJEMGYXEMGS-UHFFFAOYSA-N 384.328 4.560 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cccc(OC(C)C)c1 223851023 IZUSMWSSPCKBSQ-QHCPKHFHSA-N 381.516 4.826 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(C)c(Cl)c1 224165328 FPRDOGJHXSVGLA-IBGZPJMESA-N 375.896 4.618 0 40 GJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccccc1CN1CCCCC1 224836488 OQYGXYWBUVHASB-HXUWFJFHSA-N 394.559 4.880 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1Cl 224973798 ACVMQUCEBDYDRD-MOPGFXCFSA-N 398.919 4.557 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(Cl)cc2Cl)c1C 225306848 ZVHJZXZNQLJXNS-UHFFFAOYSA-N 397.327 4.965 0 40 GJAB CO[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)s1 225709560 HOUZBJSNHKALQC-LLVKDONJSA-N 378.803 4.930 0 40 GJAB O=C(Nc1cccc(Br)c1)c1snnc1-c1ccc(Cl)cc1 225769829 CPAZJDBGJNYDCZ-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB C[C@@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NC3CCCCCC3)n2)C1 226011336 MUNCHQSKYGTEFO-ZIAGYGMSSA-N 396.004 4.622 0 40 GJAB CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 408628743 WVKABLSLTSIDNW-UHFFFAOYSA-N 381.501 4.916 0 40 GJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21)c1ccccc1 409368808 NWWLTPBPEXNVKR-UKAVVXHISA-N 375.855 4.735 0 40 GJAB Cn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccc(Cl)c1 816365 LEYQYDYOUYAKRA-UHFFFAOYSA-N 382.876 4.592 0 40 GJAB COc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 874269 BZDDKUKFHRKFSF-GFCCVEGCSA-N 399.541 4.556 0 40 GJAB CCc1ccc(NC2=C(Cl)C(=O)N(c3cccc4ccccc34)C2=O)cc1 951849 FCTQIMAVCZMAJG-UHFFFAOYSA-N 376.843 4.838 0 40 GJAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccc(C(F)(F)F)c1 955510 XNRXYCUKGPGQMG-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB COc1c(Cl)cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1Br 1018416 VJCKGCQAWKDFOU-WDZFZDKYSA-N 390.686 4.556 0 40 GJAB CC1(C)Cc2nc3oc4c(SCCc5ccccc5)ncnc4c3cc2CO1 2208064 PDFIDGQICFCOMO-UHFFFAOYSA-N 391.496 4.957 0 40 GJAB COc1cc(OC)cc(-n2c(-c3ccccc3C)nc3nc4ccccc4nc32)c1 2224698 OGTDKVUTFUVKAL-UHFFFAOYSA-N 396.450 4.961 0 40 GJAB O=[P@](O)(CCCC[P@](=O)(O)CCc1ccccc1)CCc1ccccc1 2309914 DLIRIJIABLOPEE-UHFFFAOYSA-N 394.388 4.793 0 40 GJAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NC1CCCCC1 2623070 OMNRTYVJIPZERQ-UHFFFAOYSA-N 398.557 4.537 0 40 GJAB CCOC(=O)c1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)sc(C)c1C 3222442 MTBAUXVCBLQQEN-UHFFFAOYSA-N 395.908 4.991 0 40 GJAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(-c2ccccc2)cc1 3376985 WMOHSUSPRBAWOQ-UHFFFAOYSA-N 377.425 4.727 0 40 GJAB COc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(C)cc2)cc1 4059437 NCSKWQCIJVFLDA-NRFANRHFSA-N 377.513 4.607 0 40 GJAB CCOC(=O)C(=O)N1c2c(C)cc(C)cc2-c2c(ssc2=S)C1(C)C 4740151 ZNSYLZNUOITRDK-UHFFFAOYSA-N 393.555 4.968 0 40 GJAB CC1(C)N=C(SCC(=O)Nc2ccc(F)cc2)C(c2ccc(Cl)cc2)=N1 4890878 WOCWVRSNHVPEBQ-UHFFFAOYSA-N 389.883 4.788 0 40 GJAB CCc1cccc2c([C@@H]3CC(c4ccc(Br)cc4)=NNC3=O)c[nH]c12 5318612 PNMGBCBYCJUWMP-INIZCTEOSA-N 396.288 4.501 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1cc(C)n(C(C)C)c1C 5537189 FYRGHUUYRAXHKV-UHFFFAOYSA-N 380.444 4.689 0 40 GJAB CCN(C(=O)[C@H](C)Sc1nnc(C2CC2)n1-c1ccccc1)C1CCCCC1 6128731 VFORVALJEZWHOE-INIZCTEOSA-N 398.576 4.807 0 40 GJAB CCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(OCC)cc32)cc1 6600835 ZKGZCOMKGGQXQE-UHFFFAOYSA-N 385.467 4.918 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCc2nc(-c3cccs3)no2)cc1C 6804359 MCDVYFFVZJJEBG-UHFFFAOYSA-N 383.502 4.596 0 40 GJAB CCOc1ccc2nc(NC(=O)c3nc(SCC)ncc3Cl)sc2c1 6810500 IRFJIIRDVHJYAQ-UHFFFAOYSA-N 394.909 4.503 0 40 GJAB CCc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)sc1C 7407332 FKUBDBQYCJSSGX-UHFFFAOYSA-N 380.517 4.856 0 40 GJAB CCOc1ccccc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604337 WTWLPINUJUGEGV-UHFFFAOYSA-N 384.435 4.826 0 40 GJAB Cc1ccccc1OCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 7670845 PMQVBOWFYBXWNZ-UHFFFAOYSA-N 380.425 4.989 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1Cl 8273577 NUMYGLWEPHAXFP-UHFFFAOYSA-N 383.879 4.542 0 40 GJAB COc1ccc(Br)cc1-c1nnc(Nc2ccc(Cl)cc2)[nH]1 8903567 GGMBLZAMDNHWEA-UHFFFAOYSA-N 379.645 4.640 0 40 GJAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)N(C1=CCCCC1)C1CC1 8988563 VVAYWXNWFRIWQE-UHFFFAOYSA-N 390.483 4.767 0 40 GJAB Cc1cc2nc(Nc3nc(-c4ccc(Cl)cc4)cc(=O)[nH]3)nc(C)c2cc1C 9419828 MJXLPYASIAAWOF-UHFFFAOYSA-N 391.862 4.702 0 40 GJAB CC(C)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 10358910 QUNLVVMNZCQZKN-UHFFFAOYSA-N 394.496 4.863 0 40 GJAB Cc1ccc2nc(Cn3c(SCCC(C)C)nc4ccccc43)cc(=O)n2c1 12520367 IJWAJMJBEKRDAM-UHFFFAOYSA-N 392.528 4.539 0 40 GJAB C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(-n2ccnc2)cc1 12547639 SHPOZTPONDTYSZ-MRXNPFEDSA-N 390.512 4.682 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)cc1 12972894 GRFUJLIVAOJWCB-UHFFFAOYSA-N 396.878 4.860 0 40 GJAB O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccc(C(F)(F)F)cc1 13924406 PDHVRROMLFHUOF-ZROIWOOFSA-N 396.162 4.812 0 40 GJAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccccc1-c1ccccc1 19199708 UXGNCOMPAHOFBK-UHFFFAOYSA-N 392.842 4.944 0 40 GJAB CCCn1nc(C)c(-c2cncn2C[C@@H](c2ccccc2Cl)N(C)C)c1C 19654610 RORLANLXELQPMY-FQEVSTJZSA-N 385.943 4.730 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1ccnc1C 20460732 OQHXWKYBMLFTBF-XMMPIXPASA-N 399.494 4.808 0 40 GJAB CCN1CCc2nc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)sc2C1 21295529 UHDLHNIUMXFSFG-UHFFFAOYSA-N 387.505 4.641 0 40 GJAB O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCCCCC1 27662547 LPGCKVJNUXBQTC-SFHVURJKSA-N 392.952 4.514 0 40 GJAB CCCCn1c(SCc2cc(-c3ccco3)on2)nnc1[C@@H](CC)N(C)C 32745310 BTTJHCPWPHUSEC-OAHLLOKOSA-N 389.525 4.631 0 40 GJAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O 33026894 CCWZLTQEWBKHQJ-HXUWFJFHSA-N 379.362 4.671 0 40 GJAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)CC1 38834024 LBYVSTYOYOTZNH-UHFFFAOYSA-N 387.321 4.933 0 40 GJAB C[C@H](c1ccc(Cl)cc1)N(C(=O)CCCn1c(=O)oc2ccccc21)C1CC1 40070278 YGYSIOIXGJBNSA-OAHLLOKOSA-N 398.890 4.780 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2cccc(Cl)c2)[nH]n1 40086593 AQVWALOSIBOJFG-UHFFFAOYSA-N 381.848 4.501 0 40 GJAB O=C(Nc1ncc(Cc2ccc(F)c(F)c2F)s1)c1ccc(F)cc1F 40110692 SHFXDZVSQRYWAC-UHFFFAOYSA-N 384.329 4.682 0 40 GJAB COc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1ccccc1Br 40283945 NEFCVOFUZOCILP-CYBMUJFWSA-N 398.260 4.767 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3c3cccn3C)cn2)cc1 57726228 ZRSADBCAGDLHCQ-HXUWFJFHSA-N 376.460 4.890 0 40 GJAB CCc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)cc1 59176129 AWOUYURMFKWBGT-UHFFFAOYSA-N 397.500 4.559 0 40 GJAB CN(C)[C@H](CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1)c1ccco1 69348888 HTELROWGYBLYSZ-GOSISDBHSA-N 385.414 4.649 0 40 GJAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72218950 ACLUASSSZBENTC-NRFANRHFSA-N 379.504 4.854 0 40 GJAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)Cc4ccncc4)C3)c2)c1 72356121 YQYKHSIIKXQEQE-XMMPIXPASA-N 399.538 4.633 0 40 GJAB COC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Br)o1 73638344 FEKQUVIAQRALIZ-QPJJXVBHSA-N 386.039 4.658 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)Nc3cccc4[nH]ccc34)s2)cc1OC 95473116 LNJNVAVUOYAMSO-UHFFFAOYSA-N 393.468 4.869 0 40 GJAB Cc1c(C)c2cc(Cl)c(OCC(=O)Nc3cccc4[nH]ccc34)cc2oc1=O 95476140 SFXVPKTZILJSKF-UHFFFAOYSA-N 396.830 4.562 0 40 GJAB COCc1nc(N[C@@H](C)[C@@H]2CCCOC2)c2c(-c3ccccc3)csc2n1 96002023 CAMDACMALWTKBB-GOEBONIOSA-N 383.517 4.732 0 40 GJAB COc1ccc([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)c2ccccc12 96222660 VWYCWLMUCXHZIN-GOSISDBHSA-N 386.403 4.704 0 40 GJAB biogenic Cc1ccc(C)c(NC(=S)N2[C@H]3CCC[C@H]2CC(NC(=O)C(C)(C)C)C3)c1 100426909 FGXLZHIMVWXRBB-ROUUACIJSA-N 387.593 4.548 0 40 GJAB FC(F)(F)Oc1cccc2c1[C@H]1O[C@H]2C(Br)=C1Br 100644890 CXXOZCNTZGCSRJ-NXEZZACHSA-N 385.961 4.713 0 40 GJAB CC(C)(C)c1ccccc1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 104155572 KNQSPJUMWSJFMR-TWVWUCKLSA-N 378.520 4.510 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccccc1 223009565 CUHWPFMHGAGKOH-LJQANCHMSA-N 377.937 4.855 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)s2)cc1 224482336 OPHGBJCUEDMHPG-ZDUSSCGKSA-N 387.892 4.881 0 40 GJAB S=C(NCCCSCc1ccco1)Nc1ccc(Br)cc1 225592958 VABGQGKMVLGZHC-UHFFFAOYSA-N 385.352 4.652 0 40 GJAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@@H](c1ccsc1)c1cccs1 390826495 MRFZNGUCTDHGCT-IBGZPJMESA-N 397.500 4.869 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 409141132 GZPKIMBMXKAUPY-QGZVFWFLSA-N 384.545 4.704 0 40 GJAB COCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 409144958 ORTVSZIOKFOFHO-DHDCSXOGSA-N 398.267 4.936 0 40 GJAB O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCC[C@H]2COCC[C@@H]21 531796841 XGIGIAVYPPSKOT-RXVVDRJESA-N 385.891 4.560 0 40 GJAB c1ccc(C[C@H](NCc2cc3n(n2)CCCC3)c2nc3ccccc3s2)cc1 649622918 ZNAFQAWWUFTYNC-NRFANRHFSA-N 388.540 4.903 0 40 GJAB Cc1ccn2cc(-c3ccc(NC(=O)c4c(C5CCC5)cnn4C)cc3)nc2c1 665838319 XMCNHGOYHHEPTC-UHFFFAOYSA-N 385.471 4.563 0 40 GJAB O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCOc2ccccc2C1 678561876 HTNUQJXAZXBIDY-UHFFFAOYSA-N 386.451 4.715 0 40 GJAB COc1cc(C(=O)O[C@@H]2CC(C)=CCCC(C)=C[C@@H](O)[C@@H]2C(C)C)ccc1O 1559556399 OLJDCWYDXLXFJK-FCEUIQTBSA-N 388.504 4.636 0 40 GJAB biogenic O=C(CCc1ccc(Cl)cc1Cl)Nc1cnc(-c2cccc(O)c2)nc1 1650773040 WTMRRIHVXVGZQN-UHFFFAOYSA-N 388.254 4.727 0 40 GJAB COc1cccc(CN2CCCC[C@H]2C2CCN(C(=O)OCC(C)C)CC2)c1 2056226661 XHBCMUMDKIKVCW-QFIPXVFZSA-N 388.552 4.554 0 40 GJAB CCOc1ccc2nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c3cc2c1 649534 DRXKGHMRUCUXFT-UHFFFAOYSA-N 381.432 4.822 0 40 GJAB Cc1ccc(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)c(C)c1 911074 IPKDIPVXHDLAEQ-CQSZACIVSA-N 377.724 4.903 0 40 GJAB CC(C)N(C(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3)C(C)C 928934 FJCNKRKSUSMBTA-CYBMUJFWSA-N 377.579 4.554 0 40 GJAB Cc1cccc2c(SCC(=O)N3CCCCC3)nc(-c3ccc(F)cc3)nc12 1367641 FVUAVKWWJKBZLT-UHFFFAOYSA-N 395.503 4.849 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccccc1F)CC2 2201934 RCROUZKLHAAHNC-QHCPKHFHSA-N 391.442 4.631 0 40 GJAB Cc1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)cc1 2224189 IVSVNDWTAFHGCU-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB Cc1ccc(NC(=O)CSc2nc(N)c3c4c(sc3n2)CCC[C@H]4C)cc1 2306410 VBCKQJLGWZRBBD-GFCCVEGCSA-N 398.557 4.753 0 40 GJAB O=C(CSc1nccn1-c1ccc(Cl)cc1)N1CCCc2ccccc21 2468271 ATEQWWKPZTUYBM-UHFFFAOYSA-N 383.904 4.597 0 40 GJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3)oc12 2951387 JKCUYZNZFCCSJB-NMWGTECJSA-N 395.415 4.522 0 40 GJAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc(F)c(Cl)c1 3238982 ZAIBXXREBHLSMO-UHFFFAOYSA-N 390.625 4.510 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N(C)c2ccccc2)c2c3c(sc2n1)CCC3 3521845 OHNBWYWFZLKARV-LBPRGKRZSA-N 383.542 4.632 0 40 GJAB CCCCOc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1 4033013 GHINCFXHWXWFOQ-UHFFFAOYSA-N 386.455 4.828 0 40 GJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCc4ccco4)c(C)c3cc2c1C 4085621 SWZVAUWUIVBMBO-UHFFFAOYSA-N 393.439 4.615 0 40 GJAB biogenic CCOc1ccc2cc3c(N)c(C(=O)NCc4ccc(C)cc4)sc3nc2c1 4160560 OLLNILJFOPTTSG-UHFFFAOYSA-N 391.496 4.669 0 40 GJAB CCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1 4328780 BPSGAQSDKWYOCV-UHFFFAOYSA-N 386.908 4.739 0 40 GJAB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc34)=NN12 4427550 WPAGLAFGMDYHEH-HSZRJFAPSA-N 383.495 4.805 0 40 GJAB CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)c1 4554777 PSKIHASFDODULG-UHFFFAOYSA-N 384.476 4.721 0 40 GJAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(C(F)(F)F)cc1 4679315 ARQOVEOGYXTUEA-UHFFFAOYSA-N 393.384 4.967 0 40 GJAB CC(=O)c1ccccc1NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 5428910 PWGGLKCENXXGOL-UHFFFAOYSA-N 385.514 4.550 0 40 GJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)c(OC)c1 5445452 WPKQCEHJZJSIBU-XUZZJYLKSA-N 386.451 4.946 0 40 GJAB COc1ccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)n2C)cc1 5478199 VBCYMDULYKXPBN-UHFFFAOYSA-N 389.480 4.619 0 40 GJAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(OC)cc1 6127769 MJBYKXALCKZKQW-UHFFFAOYSA-N 385.416 4.602 0 40 GJAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1 7112452 CRTAKWNTQKAYSC-KRWDZBQOSA-N 385.464 4.578 0 40 GJAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2n1 7211451 MJFYCRFWENBIJA-UHFFFAOYSA-N 385.267 4.920 0 40 GJAB O=C(Oc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7929086 RZPOPDBYNPXMGX-FQEVSTJZSA-N 381.431 4.952 0 40 GJAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 8036292 KLBBAKQMLQNNHA-IBGZPJMESA-N 380.469 4.620 0 40 GJAB c1ccc(Cn2cc(CNCc3ccc4c(c3)OCO4)c(-c3ccccc3)n2)cc1 8428753 WZHUHHVHZRUCNE-UHFFFAOYSA-N 397.478 4.617 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1cccc(Cl)c1 8479470 DHIIUKHNLNNWOP-QGZVFWFLSA-N 381.900 4.686 0 40 GJAB COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc3c2cnn3C)cc1Cl 9276261 IEYQVQWLXYLQCG-UHFFFAOYSA-N 394.866 4.821 0 40 GJAB Cc1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c(F)c1 10515513 FYEIPIJIMVPFKO-UHFFFAOYSA-N 376.435 4.518 0 40 GJAB O=C(Nc1ccc(NC(=O)c2ccccc2F)c(C(F)(F)F)c1)c1ccco1 10964781 PHCZCGBLYODARP-UHFFFAOYSA-N 392.308 4.942 0 40 GJAB CCCSc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 11916141 SOCUXUVPEJLJHE-UHFFFAOYSA-N 380.882 4.601 0 40 GJAB Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)s1 12228387 KVOHDZWVRPHDOY-HNNXBMFYSA-N 391.587 4.537 0 40 GJAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3cccs3)n3ccccc23)c(C)c1 12342012 VOTCVCNKECIUTF-UHFFFAOYSA-N 389.480 4.683 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1C 12569616 ATOOTXXEOYNMIJ-LJQANCHMSA-N 384.526 4.745 0 40 GJAB CN1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)[C@@H](c2ccccc2)C1 12737752 UCBIRUCTTCARIJ-JOCHJYFZSA-N 392.474 4.534 0 40 GJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12761387 FMVKIZPUVFFIKD-INIZCTEOSA-N 378.255 4.742 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 12974705 SPUXZSIYYKWGDR-MRXNPFEDSA-N 380.513 4.778 0 40 GJAB COc1ccc(-c2c/c(=N\[C@H](CC(C)C)C(=O)O)c3cc(C)ccc3o2)cc1 13144889 DCMJHVDYYQLBFE-FIPQWBAWSA-N 379.456 4.817 0 40 GJAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1C 13564572 UWJHAMNWGBTKMU-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 14002762 KQGPEWDIPUTITI-UHFFFAOYSA-N 394.515 4.844 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1 14069964 KBJXZHLJZPTXDM-GFCCVEGCSA-N 386.398 4.640 0 40 GJAB Cc1nc2c3ccccc3nc(SCc3nc4ccccc4n3C(F)F)n2n1 14903205 FDZFMDNZQXHTHB-UHFFFAOYSA-N 396.426 4.623 0 40 GJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)c(Cl)c1 15088591 JZSRZSPLZDGXRD-UHFFFAOYSA-N 398.246 4.913 0 40 GJAB CCc1ccc(C(=O)CCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 15474563 BPDLQRLQIPQMDP-UHFFFAOYSA-N 375.852 4.521 0 40 GJAB Cc1ccccc1CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C(C)C 19237236 SSOXEBAOMNVNGJ-WXFUMESZSA-N 394.534 4.607 0 40 GJAB CSc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccccc2)cc1 21383209 UQDKINBKHCUGSI-UHFFFAOYSA-N 375.493 4.912 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2ccc(F)cc2)C1=O 22987721 JOXJSTFBXBFFHG-KRWDZBQOSA-N 377.868 4.793 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3cccnc3)cc2)cc1 23130144 KVPSPBLQYAHLBV-HSZRJFAPSA-N 388.467 4.647 0 40 GJAB CN(Cc1ccccc1Br)C(=O)C1(c2ccc(Cl)cc2)CC1 23572202 OQTLKMKCLQEULN-UHFFFAOYSA-N 378.697 4.793 0 40 GJAB Cc1cccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1 25425788 TXBSZFRAJWPCKW-UHFFFAOYSA-N 395.528 4.503 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc(OC)c(Cl)cc1OC 27975815 HNBVUJVBAVNKMC-GOSISDBHSA-N 389.879 4.642 0 40 GJAB Cc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2C)c1 28527952 FBFCDNQKFMQYGJ-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)s1 32550022 HIJRGJCPUPIYSA-GOSISDBHSA-N 396.537 4.648 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(=O)c2cc(F)ccc2o1 32981771 WTQFFRIJCFAARX-UHFFFAOYSA-N 375.355 4.977 0 40 GJAB O=C(COc1ccccc1-c1noc(-c2ccco2)n1)Nc1cccc(Cl)c1 33325038 DRRZWSVFUWHUSW-UHFFFAOYSA-N 395.802 4.668 0 40 GJAB COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c(C)c1 36616207 YCRCZTBCFJJHBR-UHFFFAOYSA-N 386.455 4.607 0 40 GJAB CSc1ccc(CN(C)C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1 40104899 NGVGDAVOKFXRKC-UHFFFAOYSA-N 380.517 4.875 0 40 GJAB O=S(=O)(CCSc1ccc(Br)cc1)c1ccc(Cl)cc1 40161492 FEQOGKVWGLTRKX-UHFFFAOYSA-N 391.739 4.669 0 40 GJAB CC[C@@H](C(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1)c1ccccc1 49362945 PIJFDQYZQKXLGY-QGZVFWFLSA-N 381.501 4.698 0 40 GJAB Cc1ccc(-c2csc3ncnc(N[C@H](C(N)=O)c4ccccc4)c23)cc1C 65477331 HFHKASDELCETPN-IBGZPJMESA-N 388.496 4.614 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)NC1CCOCC1 69203139 YEGZGEOXOIHFRV-UHFFFAOYSA-N 380.366 4.798 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(OC)cc3)[nH]n2)cc1 72331583 KRSVXQWYPMGWKZ-INIZCTEOSA-N 393.487 4.755 0 40 GJAB COc1cccc(NC2=NC(=O)S/C2=C/c2c[nH]nc2-c2ccccc2)c1 72401658 JMDKHBCPXYSOPN-LICLKQGHSA-N 376.441 4.804 0 40 GJAB COC(=O)c1ccc(CN2CCC(COCc3ccc(Cl)cc3)CC2)cc1 77191629 DBMGQQGIIRGOCD-UHFFFAOYSA-N 387.907 4.555 0 40 GJAB CCOc1ccc(/C=C2/CCc3cc(OC(C)(C)C(=O)O)ccc3C2=O)cc1 84807907 JREVHSZWBHPSAF-LGMDPLHJSA-N 380.440 4.540 0 40 GJAB FC(F)(F)c1cnc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(Cl)c1 89851317 FWJYOSXIEUEJEN-AWEZNQCLSA-N 393.800 4.880 0 40 GJAB Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)sc1-c1ccc(F)cc1 102241673 UCMCLSNIBUHDCK-ZDUSSCGKSA-N 394.471 4.848 0 40 GJAB Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2Cl)cc1 102620298 JEDVWJZXOSCSDV-AFHBHXEDSA-N 379.843 4.752 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C)c2)cc1 121300077 PMFMJJCFZDQMDJ-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(N2CCC(C(=O)NCCCc3cccc(OC(C)C)c3)CC2)cc1 219862500 NACNBBNGKFDQGE-UHFFFAOYSA-N 394.559 4.748 0 40 GJAB COc1ccc(S(=O)(=O)NCc2cccc3ccccc23)c(Cl)c1Cl 222846097 ZYDALHCUGXGOFO-UHFFFAOYSA-N 396.295 4.634 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 223027007 WYEGXLQATXKBJL-HXUWFJFHSA-N 389.923 4.954 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223718845 IPHSJWYRUYUDMS-LJQANCHMSA-N 389.923 4.990 0 40 GJAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1 223768272 PTNHFBXQHURFNL-CVVHJZTLSA-N 390.508 4.787 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)NCCOc2ccccc2C(C)C)CC1 223793123 OCPGFOUATFOGPW-UHFFFAOYSA-N 394.559 4.526 0 40 GJAB O=C(COc1cccc(Cl)c1)Nc1nnc(SCc2ccccc2)s1 224203610 GATLZCUFLMAWFZ-UHFFFAOYSA-N 391.905 4.501 0 40 GJAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)s2)cc1 225357692 FOAVFZDJZQCYPM-CQSZACIVSA-N 397.500 4.743 0 40 GJAB O=C1CC2(CCN(Cc3ccccc3F)CC2)Oc2cc3c(cc21)CCCC3 225825653 NOFPHUKHAYJMPK-UHFFFAOYSA-N 379.475 4.705 0 40 GJAB CCOc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)c2ccccc12 225921764 OEOVQAINGWCRNY-UHFFFAOYSA-N 397.496 4.990 0 40 GJAB CCCCC(=O)N1CCC[C@H]1c1ccc(C(=O)O)c(-c2cccc(Cl)c2)n1 257213569 CIDJJEUSUIQSJV-SFHVURJKSA-N 386.879 4.954 0 40 GJAB O=C(O)c1cnc(N2CCC[C@H]2c2ccccc2)nc1CCCc1ccccc1 257278907 OEDNQHUEKYBHMN-QFIPXVFZSA-N 387.483 4.692 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)c1 409096952 LCWAFMKUGCAUDJ-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 409228377 YAOSTRBHLMUUPS-CPNJWEJPSA-N 392.842 4.989 0 40 GJAB CC(=O)N1CCCCCCCN(C(=O)c2ccc(F)cc2)Cc2ccccc21 643589483 UZLHLQAWLYFPBH-UHFFFAOYSA-N 382.479 4.785 0 40 GJAB Cc1nc(CSCC(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)cs1 1116318439 IXUJXFMBOFLWDR-UHFFFAOYSA-N 394.525 4.662 0 40 GJAB CSc1ccc([C@@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)cc1 1547208899 COBABCUVLCBVDE-IBGZPJMESA-N 389.480 4.740 0 40 GJAB COc1cc(C)cc(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)c1O 1631848610 ZEENZAMVKCVCOQ-MRXNPFEDSA-N 377.440 4.993 0 40 GJAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc(F)cc4)c23)C1 912327 CKMATHLZHWQTDV-LLVKDONJSA-N 387.505 4.686 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1nnc2c(C)cc3c(C)ccc(C)c3n12 929710 QAYXIBCBOGAQGK-QGZVFWFLSA-N 396.560 4.691 0 40 GJAB Cc1ccc(C)c(Oc2coc3cc(OCC(=O)OC(C)C)ccc3c2=O)c1 948939 HSPVUNIFFGRWDU-UHFFFAOYSA-N 382.412 4.533 0 40 GJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C(=O)OC)cc1 949065 BRJNWRQRSHFFIO-UHFFFAOYSA-N 378.428 4.559 0 40 GJAB O=C1N(c2ccc(Cl)cc2)[C@@H](c2ccc(Br)cc2)N2CCCN12 1253395 DYNNNGDDZMNSKN-INIZCTEOSA-N 392.684 4.664 0 40 GJAB CCCC(=O)Nc1cc(OCC)c(NC(=O)/C=C/c2ccccc2)cc1OCC 1324462 NGBLUUMKIAQOJT-BUHFOSPRSA-N 396.487 4.875 0 40 GJAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccncc1 1935440 LTDACYRGHKSOMH-UHFFFAOYSA-N 386.860 4.893 0 40 GJAB Cn1c(SCc2cccc(Cl)c2)nc2sc3c(c2c1=O)CCCC3 2382111 FFRFVETTZDVGEQ-UHFFFAOYSA-N 376.934 4.820 0 40 GJAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1nc(-c2ccccc2)cs1 2646961 ZHQVRUCPTPMBLG-ZDUSSCGKSA-N 398.509 4.701 0 40 GJAB CCCCOc1ccc(C(=O)N/C(=C/c2ccc(OC(C)C)cc2)C(=O)O)cc1 3158255 HNXLKBXRWCQABB-RCCKNPSSSA-N 397.471 4.508 0 40 GJAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CCCc2ccccc21 3341828 HZCYELHNEWCYNH-NRFANRHFSA-N 376.456 4.678 0 40 GJAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccc(F)cc2)s1 4174403 PGODIGUVBRPDCC-UHFFFAOYSA-N 379.869 4.728 0 40 GJAB Cc1cc(Cl)ccc1Nc1nc(N2C[C@@H](C)C[C@H](C)C2)nc2c1cnn2C 4374899 BVRQLTNQAUHDMN-STQMWFEESA-N 384.915 4.551 0 40 GJAB COc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)cc1 4644949 BLOBVNOBWFMFNM-UHFFFAOYSA-N 377.492 4.559 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NCCC3=CCCCC3)n2)cc1 5180048 QYBNRIOLSRETQB-HNNXBMFYSA-N 384.549 4.521 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nn(-c2ccccc2C)c(=S)s1 5290490 GTLJORDYJDHSBO-AWEZNQCLSA-N 393.603 4.855 0 40 GJAB Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c(O)c1 6255866 NBOADNHZYCUFSC-UHFFFAOYSA-N 380.469 4.704 0 40 GJAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc([C@H](C)CC)cc3)CC2=O)cc1 6880938 GTGIBXDPUZLLBR-IEBWSBKVSA-N 394.515 4.981 0 40 GJAB CCCn1c(NC(=O)Cc2csc(-c3ccccc3)n2)nc2ccccc21 7796365 YVTRKXHYOCMXNB-UHFFFAOYSA-N 376.485 4.751 0 40 GJAB COc1ccc(Nc2nc(Nc3ccc(F)cc3)c3nccnc3n2)cc1Cl 13010682 AYAGMYXRKNBXLS-UHFFFAOYSA-N 396.813 4.708 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(=O)O)ccc1Cl 13168150 IVCCSDREEBGNAQ-QMMMGPOBSA-N 388.634 4.751 0 40 GJAB Cc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1Cl 13324942 XBKSRMYISYTXCH-UHFFFAOYSA-N 384.332 4.713 0 40 GJAB CCC(CC)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 15327474 KHIXDOOXKRAFNF-UHFFFAOYSA-N 378.472 4.837 0 40 GJAB COc1c(C)cc(Br)cc1C(=O)Nc1cccc2ccc(C)nc12 16348866 LBOZOPSRVWIBJU-UHFFFAOYSA-N 385.261 4.875 0 40 GJAB CCCCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3ccc(C)cc3nc21 17248900 LOVTVOGKTKUYPG-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(Cl)c(Cl)c1 17367256 NQQIUZIUWHQICC-NSHDSACASA-N 392.311 4.932 0 40 GJAB CC[C@@H](CN1CCCC1)n1cncc1-c1c(C)nn(-c2ccccc2C)c1C 19719666 QUBDBBDVSOBXCY-FQEVSTJZSA-N 377.536 4.708 0 40 GJAB COC(=O)c1ccc2c(=O)[nH]c(/C(Cl)=C/c3ccc(C(C)C)cc3)nc2c1 21191241 BQOUTTVZOILVCH-YVLHZVERSA-N 382.847 4.570 0 40 GJAB COC(=O)[C@H](OC(=O)c1ccccc1SCc1ccco1)c1ccccc1 21839703 LLCHYEFWMOVPDD-LJQANCHMSA-N 382.437 4.643 0 40 GJAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC 22520276 IIOHBWSSAUZJCS-JKSUJKDBSA-N 379.456 4.502 0 40 GJAB COc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1OC(F)F 22753708 DUQOACVOAYOSAT-UHFFFAOYSA-N 390.411 4.981 0 40 GJAB O=C(Nc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1)c1ccccc1 23055421 IFCZJAHTAIJPKQ-AEFFLSMTSA-N 390.405 4.790 0 40 GJAB CCc1oc2ccccc2c1/C=C/C(=O)NCc1ccccc1Cn1ccnc1 25666063 OIPGIRPKLSIDJA-VAWYXSNFSA-N 385.467 4.570 0 40 GJAB O=C(Cc1ccc(F)cc1)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 28247146 WQHHAEKOIIUVIY-UHFFFAOYSA-N 378.234 4.559 0 40 GJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCC(C)C)c(C)c3cc2c1C 30819185 KSXRROKEMQXGOD-UHFFFAOYSA-N 383.488 4.868 0 40 GJAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](C(F)(F)F)C2)cc1 34873503 UDWLHEXWQQMQSR-LPHOPBHVSA-N 392.421 4.649 0 40 GJAB COc1ccc(CCN2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1 35040458 NLXGKEYDKRNZOE-SFQUDFHCSA-N 389.929 4.793 0 40 GJAB Cc1cccc(NC(=O)N2[C@H]3CCC[C@@H]2CC(NC(=O)c2cccc(C)c2)C3)c1 35311115 AXUPIZQCDWPEMH-FRIKZZABSA-N 391.515 4.651 0 40 GJAB COc1ccc([C@@H](C)NC(=O)Nc2ccccc2-n2nc(C)cc2C)cc1F 48345429 KFQBFJUJZNOCIM-OAHLLOKOSA-N 382.439 4.520 0 40 GJAB Cc1ccc(C2=C[C@@H](c3ccc(Br)cc3)N3C(=O)CSC3=N2)cc1 51329798 OLAXTDPFLLUUKU-KRWDZBQOSA-N 399.313 4.785 0 40 GJAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(Cl)nc1Cl 60246093 GQWUREXPVQXYID-UHFFFAOYSA-N 385.663 4.813 0 40 GJAB CCOCCOC(=O)c1cc(-c2nc3ccccc3s2)nc2ccccc12 69844374 PCOHIGPRWGHJJD-UHFFFAOYSA-N 378.453 4.705 0 40 GJAB CCOc1cc(C=O)ccc1OCc1nc(-c2ccccc2C(F)(F)F)no1 89263030 FVWCOXPFCPBTBZ-UHFFFAOYSA-N 392.333 4.546 0 40 GJAB CCc1ccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 100423219 GBWQJXIOSXCDEM-VXKWHMMOSA-N 379.573 4.731 0 40 GJAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccc(Oc2nccs2)cc1 218825744 NZRUNGPKCQGGNX-UHFFFAOYSA-N 393.493 4.989 0 40 GJAB O=C(CSCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 222715975 GDLHRRCQIOILEY-UHFFFAOYSA-N 395.355 4.575 0 40 GJAB C[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1C(C)(C)C 223706562 DAHJZFXMYXPUNA-HNNXBMFYSA-N 375.896 4.600 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(CN2CCCC2)cc1 224519949 VLDCOUUIDJDKDA-UHFFFAOYSA-N 391.342 4.838 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CSc1ccccc1 225458563 QMEKXENIAGVFTR-NQIIRXRSSA-N 398.572 4.501 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225623382 ONEJTXUSUMKGRC-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB CC(=O)c1ccc(CCNC(=O)CC(c2ccccc2)c2ccccc2)s1 225671880 HCDCGTKNYNATDB-UHFFFAOYSA-N 377.509 4.832 0 40 GJAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 225755269 MPCUUFDMRXGCRJ-UHFFFAOYSA-N 375.255 4.564 0 40 GJAB O=C1CCCN1c1cccc(NC(=S)NC2(c3ccccc3)CCCC2)c1 225870361 DBWLZSAPQGODLN-UHFFFAOYSA-N 379.529 4.569 0 40 GJAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(OC)c1 226336719 XHEWJIJQWLPFFE-ZZXKWVIFSA-N 385.218 4.906 0 40 GJAB COc1ccccc1NC(=O)c1ccc(OCc2ccc(C)cc2)c(OC)c1 408554619 SHAOJUMAHRKWOV-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB Cc1ccc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1 648658 FMKNCMJYVMQASZ-UHFFFAOYSA-N 382.467 4.868 0 40 GJAB CSc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 1098811 VSDNLKZLYJOUMF-NRFANRHFSA-N 396.537 4.724 0 40 GJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(OC)cc1OC 1339982 PMVQBEWEZHUKPW-UHFFFAOYSA-N 396.512 4.854 0 40 GJAB COc1ccc(NC(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)cc1 3227250 PHQJCGKDFXEXJR-UHFFFAOYSA-N 391.427 4.600 0 40 GJAB C[C@@H](NC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1)c1ccccc1 3252961 QHFDSEOKIDQNCY-COYFKBPASA-N 397.521 4.771 0 40 GJAB CCS(=O)(=O)c1ccc2oc(Nc3cc(C(C)(C)C)ccc3OC)nc2c1 3303259 ZYXKBJUNKHYXLW-UHFFFAOYSA-N 388.489 4.671 0 40 GJAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cccnc1Cl 3466347 HKXKWCLXCIUXRB-UHFFFAOYSA-N 396.855 4.721 0 40 GJAB COc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)oc12 4263313 WWORSFFZDLLLKJ-UHFFFAOYSA-N 399.446 4.644 0 40 GJAB C[C@H]1CCCN(C(=O)CSc2nc(-c3cccs3)nc3ccccc23)C1 4601692 GHWSMPQJSIUOSR-AWEZNQCLSA-N 383.542 4.709 0 40 GJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccccc1C 4776870 RKNLOWKQWUWLQF-UHFFFAOYSA-N 388.423 4.829 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1cccc2ccccc12 4977691 KDKOTBOCQSXWOR-PIPMEXSNSA-N 382.500 4.930 0 40 GJAB COc1cccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)c1 5146502 IDKBWSPKDYKKMJ-UHFFFAOYSA-N 397.887 4.906 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(OC)c(Cl)c2)sc2c1CCCC2 5192073 VTBDRIJDOOXUHZ-UHFFFAOYSA-N 393.892 4.718 0 40 GJAB CC(C)(C)NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 5987730 YBGGMHWEYBCADK-UHFFFAOYSA-N 391.920 4.704 0 40 GJAB OCCOCCNc1nc(-c2cccs2)nc2scc(-c3ccccc3)c12 6510553 SLVVYQGJEQCOPN-UHFFFAOYSA-N 397.525 4.508 0 40 GJAB Cc1ccccc1-c1noc(-c2cc3cc(Br)ccc3oc2=O)n1 6868008 MXQSJLICDGNPOB-UHFFFAOYSA-N 383.201 4.581 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(F)cc1Cl 6986972 YWXIHYUHCAYDNE-NSHDSACASA-N 378.856 4.687 0 40 GJAB Cc1nc(-c2ccc(NC(=O)CCc3nc(-c4cccs4)no3)cc2)cs1 7438372 UOFZWYDJIZPLKO-UHFFFAOYSA-N 396.497 4.801 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7885896 XUZIUCIABGFZPA-HXUWFJFHSA-N 396.853 4.702 0 40 GJAB S=c1n(CN2CC=C(c3ccccc3)CC2)nc(-c2cccnc2)n1C1CC1 8105983 XILFVOFFTJNYMW-UHFFFAOYSA-N 389.528 4.558 0 40 GJAB COc1ccccc1-n1c(SCc2cccc(F)c2)nc2ccccc2c1=O 8230382 GGNKGZYOAWEKPP-UHFFFAOYSA-N 392.455 4.826 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@@H](C)c3nnc(-c4cccs4)o3)n2)cc1 8265868 BFIYINCYILKAHE-NSHDSACASA-N 383.502 4.999 0 40 GJAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1cccc(Cl)c1 9019419 FJKIJWXMJVJCFP-AWEZNQCLSA-N 379.847 4.822 0 40 GJAB CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 9063254 ICEFBZCSAXAREU-UHFFFAOYSA-N 386.923 4.978 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)C1CCN(Cc2ccc(F)cc2)CC1 9063628 COHNDNMCHQESDR-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 10469514 CPOOIMNUDWAHLB-VGSWGCGISA-N 383.488 4.774 0 40 GJAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccc(Cl)cc1)Cc1ccco1 12062480 HNRFISSDIAUUGI-UHFFFAOYSA-N 393.826 4.882 0 40 GJAB COc1ccc(SCC(=O)Nc2ccc(Br)cc2Cl)cc1 12801990 IDHHZDUDOVAWEZ-UHFFFAOYSA-N 386.698 4.842 0 40 GJAB Cc1c(NC(=O)c2ccc(F)cc2)cccc1C(=O)N1CCc2sccc2C1 13014256 QULRQLKNPFIXBD-UHFFFAOYSA-N 394.471 4.646 0 40 GJAB CCN(CC)C(=O)c1cccc(NC(=O)Cc2coc3cc(C)c(C)cc23)c1 14387006 LWNHOOLCYLCIOU-UHFFFAOYSA-N 378.472 4.713 0 40 GJAB Cc1nc([C@H]2CCCN2C2CCCC2)nc2c1CCC(=O)N2CC1CCCCC1 19743197 IBKPMNZOLZLXKD-OAQYLSRUSA-N 396.579 4.724 0 40 GJAB CC(C)[C@H](C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1 25918171 LPDYQMOPVQYMMV-IERDGZPVSA-N 396.922 4.880 0 40 GJAB CCCCOc1cccc(C(=O)NCCc2csc(-c3ccccc3)n2)c1 27992594 WPCNCAJEYXYQMJ-UHFFFAOYSA-N 380.513 4.962 0 40 GJAB CCOc1ccc(CCC(=O)NCCCc2ccc(Cl)cc2)cc1OCC 30858711 HJFVPIBZOAKVBR-UHFFFAOYSA-N 389.923 4.819 0 40 GJAB COC(=O)c1ccc(COc2ccccc2/C=C2\C(=O)Nc3ccccc32)cc1 33417408 XUANKTSLBWJCNP-ZHZULCJRSA-N 385.419 4.545 0 40 GJAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc(Cl)cc1 33650923 RPVCBPZMKSLYTM-UHFFFAOYSA-N 394.327 4.720 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 35292726 SJJYNMSRRBDJBZ-POZUXBRTSA-N 396.911 4.574 0 40 GJAB Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)c2c[nH]c3ccccc23)CC1 35363220 JRDONGWCURAFIS-MRXNPFEDSA-N 381.907 4.523 0 40 GJAB COC(=O)CC1=CC(SCc2ccc(OC)c(F)c2)=Nc2ccccc2N1 35480746 WGOFIDYGGSYFJE-UHFFFAOYSA-N 386.448 4.670 0 40 GJAB Cc1ccc(NC(=O)CN(C)C(=O)Nc2ccccc2Cc2ccccc2)cc1 43334013 UQUKIMKUAHADQL-UHFFFAOYSA-N 387.483 4.688 0 40 GJAB C[S@@](=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1 53726134 GLGJLIFAASEXKX-DWACAAAGSA-N 389.476 4.690 0 40 GJAB Cc1ccccc1-c1noc(-c2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)n1 64949974 LQCMSMUVSPCPJN-UHFFFAOYSA-N 398.397 4.550 0 40 GJAB Cc1ccc(C)c(-c2nnc(OCC(=O)N3CCC(C)CC3)c3ccccc23)c1 68943450 UBAORLMCOOMRJK-UHFFFAOYSA-N 389.499 4.551 0 40 GJAB O=C(CCSc1ccccc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635448 ZGQQSLAQMALADH-GOSISDBHSA-N 395.446 4.788 0 40 GJAB CN(CC(F)(F)F)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 71843945 VOWGJHCBZHXHPR-UHFFFAOYSA-N 392.208 4.691 0 40 GJAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(Cl)c2)C1)C1CCC1 72330597 YJEJBOYWILOFSN-UGKGYDQZSA-N 397.950 4.605 0 40 GJAB Cc1ccccc1C1(O)CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 84235207 BQPZHAMUDLHPBW-UHFFFAOYSA-N 379.431 4.518 0 40 GJAB CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1cn[nH]c(=O)c1Cl 95369486 LCJVYKSCIMSHRH-UHFFFAOYSA-N 397.784 4.729 0 40 GJAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3c(C)cccc3C)n2)cc1 95962631 CZQFSFPNOARFEV-OAHLLOKOSA-N 393.512 4.876 0 40 GJAB O=C(Cn1cc(-c2ccc(F)cc2)cn1)NCc1ccccc1-c1ccsc1 96122922 MFOZZNJPDNVTJJ-UHFFFAOYSA-N 391.471 4.734 0 40 GJAB O=C(Nc1cccnc1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96147756 CGGSDYBUSHXLDM-UHFFFAOYSA-N 382.379 4.797 0 40 GJAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224128679 PFDAUBKOTNKVQL-QHCPKHFHSA-N 394.559 4.686 0 40 GJAB CC(C)CSc1nnc(NC(=O)CSCc2cccc(Cl)c2)s1 224234347 APHYBIJQYAWEIG-UHFFFAOYSA-N 387.983 4.812 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 225037446 IPMUJZQWZGJBOZ-UHFFFAOYSA-N 386.879 4.617 0 40 GJAB CC(C)(C)c1ccc(-c2noc(CNC(=O)Cc3ccccc3Cl)n2)cc1 225443092 YRHWMJVPDTYTSC-UHFFFAOYSA-N 383.879 4.546 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccnc(-c2ccco2)c1 225655403 IWECTRIRTWLUJY-UHFFFAOYSA-N 393.830 4.888 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1c(F)cccc1F 225687032 UIHGFYSIDHDLSW-HNNXBMFYSA-N 378.444 4.562 0 40 GJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225703634 QOGHIIAQBOBDDN-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB CC(C)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)s1 225836444 NTWDCEPJJDDPOU-CYBMUJFWSA-N 393.578 4.990 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)[nH]2)cc1C 253570300 NKRQUYBUELQKCH-UHFFFAOYSA-N 396.560 4.620 0 40 GJAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3ccncc3)CC2)c1 257257138 KOFJCOSIZKDBTC-SAABIXHNSA-N 394.544 4.556 0 40 GJAB COc1ccccc1C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C=C3C 575473008 TVJTWFVOIDINPE-UHFFFAOYSA-N 389.451 4.664 0 40 GJAB FC(F)(F)c1ccc(-c2nc(CN3CC[C@@]4(CCCOC4)C3)cs2)cc1 585081320 BWZZNFPTNRFXMS-SFHVURJKSA-N 382.451 4.831 0 40 GJAB Cc1noc(C)c1CC(=O)N1CCCCCCCc2ccccc2OCCC1 643585037 YOKZGBBIHXTNAI-UHFFFAOYSA-N 384.520 4.638 0 40 GJAB Cc1cc(OCCOc2cc(Br)ccc2C(=O)O)cc(C)c1Cl 2037879459 XLYIJMRFOGVDHO-UHFFFAOYSA-N 399.668 4.875 0 40 GJAB C[C@@H]1C[C@H](OC(=O)[C@H](OC(=O)c2cccnc2)c2ccccc2)CC(C)(C)C1 607325 JVISQUVIQOJOOQ-LSTHTHJFSA-N 381.472 4.738 0 40 GJAB in-man Cc1ccc(-c2csc3ncn(CC(=O)OC4CCCCC4)c(=O)c23)cc1C 645439 KVKMMGAKYMJFBP-UHFFFAOYSA-N 396.512 4.618 0 40 GJAB CCOC(=O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 856335 ZOGNTLBJKXKSRM-UHFFFAOYSA-N 392.436 4.837 0 40 GJAB CC(=O)Nc1ccc(C)c(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 1033028 KTQJUKYGXIXKTD-UHFFFAOYSA-N 383.835 4.823 0 40 GJAB CCc1nn2cc(C(=O)c3cc(Cl)ccc3O)cnc2c1-c1ccc(F)cc1 1350475 BQLKZWVQCRRRHM-UHFFFAOYSA-N 395.821 4.688 0 40 GJAB O=C(Cc1ccccc1)NCc1nc2ccccc2n1Cc1ccccc1Cl 1452878 ITTLQCQJBVQKHO-UHFFFAOYSA-N 389.886 4.597 0 40 GJAB C[C@H](OC(=O)c1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1984033 ZFRRJSZNZIUSER-VIFPVBQESA-N 389.732 4.682 0 40 GJAB C[C@H]1CCCCN1C(=O)c1ccc(COc2ccccc2Br)o1 2750383 BKAJXGHQARPTHL-ZDUSSCGKSA-N 378.266 4.636 0 40 GJAB C[C@H]1CCc2c(sc3ncn4nc(-c5ccccc5OC(F)F)nc4c23)C1 2790831 SYLSOSPXSKIDAS-JTQLQIEISA-N 386.427 4.732 0 40 GJAB C[C@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccccc1 3220025 XOZJTRHPZIOMBG-INIZCTEOSA-N 385.891 4.572 0 40 GJAB Cc1ccsc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 3314679 SFLWBGZKNOLHCS-UHFFFAOYSA-N 377.771 4.524 0 40 GJAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)/C=C/c1cccs1 3435205 HWVSMKHQAIKOOW-SOFGYWHQSA-N 397.327 4.945 0 40 GJAB CC(C)(C)c1ccc(C(=O)NC(=O)CSc2nc3ccccc3s2)cc1 3437230 OBTJSFLYBIKDTJ-UHFFFAOYSA-N 384.526 4.643 0 40 GJAB CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@@H](C(C)C)C[C@H]12 4098421 GCAXPYWXIWWHHT-GYUQRCGZSA-N 386.488 4.852 0 40 GJAB endogenous,in-man Cc1cc(Cl)ccc1OCC(=O)Nc1ncnc2sc3c(c12)CCCC3 4194956 SXHCFIAALRYUJW-UHFFFAOYSA-N 387.892 4.549 0 40 GJAB O=C(NCCSc1ncc(-c2ccccc2)[nH]1)c1ccc(C(F)(F)F)cc1 4315578 KSOIKGDQJFPNAL-UHFFFAOYSA-N 391.418 4.618 0 40 GJAB COc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccc(C)o3)C[C@H]21 4424254 PHKVIRMTMAZKOL-XMSQKQJNSA-N 378.403 4.978 0 40 GJAB CCOCc1ccccc1[C@@](O)(c1ccc(OC)cc1)c1ccccc1OC 4683138 HDOHJPQPDPDOKI-DEOSSOPVSA-N 378.468 4.525 0 40 GJAB Cc1ccc(COc2c(Br)cc(C=O)cc2Br)cc1 4723931 IZEWDOUSCGRKGC-UHFFFAOYSA-N 384.067 4.912 0 40 GJAB CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1 4881099 LJSRPLHMKOOVCE-UHFFFAOYSA-N 385.464 4.800 0 40 GJAB COc1ccc(-c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1OC 4988638 XDWSQDADGPPMPN-UHFFFAOYSA-N 389.333 4.692 0 40 GJAB CCCCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2OCC)cc1 5236246 AMEAGTGAVCPYLD-UHFFFAOYSA-N 399.487 4.840 0 40 GJAB CCn1c(SCC(=O)c2ccccc2Cl)nc2sc(C)c(C)c2c1=O 5571540 PPHOAHNETWXGLQ-UHFFFAOYSA-N 392.933 4.723 0 40 GJAB Cc1ccccc1NC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCCC1 5626144 VLWQJXJQWXGFST-UHFFFAOYSA-N 390.487 4.598 0 40 GJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(C)c2)c1 6263888 MJQHWCHEENFLRJ-UHFFFAOYSA-N 389.908 4.514 0 40 GJAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccccc1Cl 6549858 GSNDISLZZCLZBW-UHFFFAOYSA-N 384.892 4.529 0 40 GJAB CCOP(=O)(OCC)[C@@H](NC(=S)NC1CCCCC1)c1ccccc1 6595399 HJJVNVWECBYPMH-QGZVFWFLSA-N 384.482 4.748 0 40 GJAB Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4ccccc4Cl)nc3c12 6758941 VPTSNWXCXNBELN-UHFFFAOYSA-N 377.835 4.658 0 40 GJAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(-c2ccccc2)cc1 6790417 LKBXBHROCTVVIG-UHFFFAOYSA-N 375.424 4.582 0 40 GJAB COc1ccccc1N1C[C@@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1=O 7668686 MDFMPEGKPVMGHS-KRWDZBQOSA-N 394.515 4.934 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)[nH]n2)c(O)c1 8973320 SPSYTQYKFWBUIW-UHFFFAOYSA-N 384.848 4.606 0 40 GJAB Fc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1Cl 10213743 PTLGZJYQBYNPDK-UHFFFAOYSA-N 384.846 4.752 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 10357868 PKUFTKUIGWPYRW-UHFFFAOYSA-N 394.515 4.882 0 40 GJAB C[C@@H]1CN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CCO1 11454926 VNVUBFBJIGKVCS-CYBMUJFWSA-N 378.444 4.606 0 40 GJAB COc1ccc(-[n+]2cc(-c3ccc(OC(F)F)cc3)n3c2CCCCC3)cc1 12575106 PWXHPWQFRWRKBK-UHFFFAOYSA-N 385.434 4.768 0 40 GJAB C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1F 12676998 LJPLCRCQGCJJNV-KPZWWZAWSA-N 391.284 4.656 0 40 GJAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)c1 12925842 UYRWTBYQFXUFFP-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)c1ccccc1)c1cccc(Cl)c1 13039931 SIDIIUSTTNNMDU-MRXNPFEDSA-N 392.886 4.860 0 40 GJAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)CCC2 13058361 ZIVNTHFDSSVVSB-UHFFFAOYSA-N 375.799 4.648 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 13709374 ZJRSFNCEZJPBIQ-CYBMUJFWSA-N 383.831 4.686 0 40 GJAB Cc1cc(=O)oc2cc(OCc3csc(COc4ccc(F)cc4)n3)ccc12 14902209 ZCSKSBZDLFYHFS-UHFFFAOYSA-N 397.427 4.855 0 40 GJAB CCCOc1c(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cccc1OC 19503802 SDKFYORYJCSWFG-GOSISDBHSA-N 379.504 4.740 0 40 GJAB CC(=O)c1c(C)cc(C)c(CSCC(=O)N2CCC(c3ccccc3)=N2)c1C 24072169 PVZFRSRDSLIHLR-UHFFFAOYSA-N 394.540 4.684 0 40 GJAB Cc1cccc(CSCC(=O)NCc2ccc(CN3CCCCC3)cc2)c1 24186376 MMPMYSCJJOQVAD-UHFFFAOYSA-N 382.573 4.531 0 40 GJAB CC(=O)N(C)Cc1ccccc1NC(=O)c1sc2sccc2c1Cl 25287701 PXXUJNPRTQPGAD-UHFFFAOYSA-N 378.906 4.847 0 40 GJAB O=C(c1ccc2c(c1)OCCCO2)N1CCc2sccc2[C@@H]1c1ccccc1 25898879 YGTKJRPZZIIMGW-QFIPXVFZSA-N 391.492 4.697 0 40 GJAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)cc1 30183849 BPPPLWWDJZZTCL-UHFFFAOYSA-N 389.542 4.518 0 40 GJAB CC[C@@H](C)c1ccc([C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)C(C)C)cc1 40057987 ZRZTXGNMVKUDDT-IVZQSRNASA-N 394.515 4.535 0 40 GJAB CCOc1ccccc1CN(C[C@H](C)O)C(=O)Nc1cccc(C(F)(F)F)c1 40096098 XOXDLDZFRMTZSM-AWEZNQCLSA-N 396.409 4.519 0 40 GJAB CC(C)c1nc(CS(=O)(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cs1 46126785 CGOQAULSMVARIA-UHFFFAOYSA-N 396.921 4.690 0 40 GJAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)n1 47318136 MIAFKPNHEQPPLO-UHFFFAOYSA-N 381.435 4.665 0 40 GJAB Cc1cccn2cc(-c3ccc(NC(=O)Cc4noc5ccccc45)cc3)nc12 47505216 FGAGVQMPAGEZAM-UHFFFAOYSA-N 382.423 4.632 0 40 GJAB CCCn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2cc(F)ccc21 49001968 KEHYIEIWMRSWIZ-UHFFFAOYSA-N 383.810 4.921 0 40 GJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(C)(C)c1ccccc1F 60339393 XVGXQAJHKGPKSR-UHFFFAOYSA-N 382.401 4.964 0 40 GJAB Cn1cc(-c2nc(COC(=O)c3cc4ccc(C(C)(C)C)cc4[nH]3)cs2)cn1 61169313 PMDXFFUGABOLBU-UHFFFAOYSA-N 394.500 4.679 0 40 GJAB O=C(c1ccc(C(F)(F)F)cc1)N(CCc1ccccc1)Cc1ccccn1 61974288 VNBAJNCXBLGPOR-UHFFFAOYSA-N 384.401 4.986 0 40 GJAB Cc1nc(NC(=O)C2=NO[C@H](c3ccccc3)C2)sc1Cc1ccccc1F 65647246 NKSFBPXTCGXYSK-SFHVURJKSA-N 395.459 4.638 0 40 GJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)cc1 67296464 YZWXTRCMASDPIR-BZZOAKBMSA-N 385.423 4.630 0 40 GJAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc(-c2ccc(F)c(Cl)c2)o1 71280878 VWIAOCAHANRGAH-NSHDSACASA-N 389.814 4.933 0 40 GJAB CCS[C@H]1CC[C@H](NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1 72303496 PEYPQVSPDYSGKM-GJZGRUSLSA-N 385.957 4.787 0 40 GJAB C[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1nc(C(C)(C)C)no1 72303575 ODYPZHDMHHBVDN-MRXNPFEDSA-N 377.488 4.643 0 40 GJAB CCCOc1c(Br)cc(CNc2ccc(OC)cc2)cc1OC 106993761 HCSZKUYXZYZWMI-UHFFFAOYSA-N 380.282 4.867 0 40 GJAB O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1c(Cl)cccc1Cl 214702609 VSIUDEROIIWKPX-OVCLIPMQSA-N 380.252 4.936 0 40 GJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)S1 222623901 ZVLNZFDLYYJSRA-UAOJZALGSA-N 378.476 4.601 0 40 GJAB Cc1ccc2c(c1)[C@H](NC(=O)COc1cccc3c1CCCC3)CC(C)(C)O2 223166861 ODXQPTNTCUECKF-HXUWFJFHSA-N 379.500 4.671 0 40 GJAB COc1ccc(NC(=O)c2ccc(OC)c(COCc3ccccc3)c2)cc1 224461820 ZWDMKFRRAXOBAR-UHFFFAOYSA-N 377.440 4.673 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc3c(c2)OCCO3)cc1 225499196 JMMQJPDNZPEQLZ-SFHVURJKSA-N 386.517 4.540 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(Br)c2)cc1 225639779 MFWNAJXTBUBNEZ-CYBMUJFWSA-N 379.323 4.511 0 40 GJAB CCO[C@@]1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCC[C@@H](C)C1 225715688 JACAQXOYTCEJSS-XXBNENTESA-N 390.568 4.721 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(Br)c2)cc1C 225789209 QRKWRBZWVGVNTR-CQSZACIVSA-N 393.350 4.820 0 40 GJAB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(C(F)(F)F)cc3)n2)c1 225814911 YBEXVFOJYQWJCB-UHFFFAOYSA-N 392.406 4.550 0 40 GJAB O=C(O)c1cc(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)ccc1Cl 226856504 WPIZOVAGWHLFFJ-UHFFFAOYSA-N 399.940 4.694 0 40 GJAB CCCOc1ccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)cc1 408626849 IVTALNSGCXVVNA-UHFFFAOYSA-N 399.541 4.829 0 40 GJAB O=C1S/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)N1CC1CCCCC1 409147566 MUKQDEILUNZBRR-CPNJWEJPSA-N 382.485 4.800 0 40 GJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccccc1CC 949590 HTTOFYODKOQGKS-UHFFFAOYSA-N 378.428 4.504 0 40 GJAB S=C1NC(c2ccc(Br)cc2)=C[C@H](c2ccccc2Cl)N1 1066732 CLNWVZAPNRSPKR-OAHLLOKOSA-N 379.710 4.662 0 40 GJAB O=C1[C@@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=S)N1c1ccc(Cl)cc1 1437055 GFBAPUHTSGRVHK-HOCLYGCPSA-N 395.336 4.741 0 40 GJAB O=C1[C@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=S)N1c1ccc(Cl)cc1 1437057 GFBAPUHTSGRVHK-ZBFHGGJFSA-N 395.336 4.741 0 40 GJAB CCn1c(=O)c(-c2ccc3ccccc3n2)cc2cc(Br)ccc21 2288071 DNMCGICNJPTMER-UHFFFAOYSA-N 379.257 4.999 0 40 GJAB CC(C)Sc1nc(NC[C@@H]2CCCO2)c2c3c(sc2n1)COC(C)(C)C3 2439608 PMVQOBVHPJNUGO-LBPRGKRZSA-N 393.578 4.634 0 40 GJAB C[C@@H]1CCCCN1C(=O)c1ccc(COc2ccccc2Br)o1 2750384 BKAJXGHQARPTHL-CYBMUJFWSA-N 378.266 4.636 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccn(COc2ccccc2F)n1 2786795 NQHHMAAQDQLCDW-UHFFFAOYSA-N 380.206 4.618 0 40 GJAB CC(C)c1ccc(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 3315200 RJDLOAIALCTSQD-UHFFFAOYSA-N 390.483 4.966 0 40 GJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(C(F)(F)F)c1 3563981 QWOYXZYPMYFPEI-UHFFFAOYSA-N 376.378 4.584 0 40 GJAB Cc1c(NC(=O)c2ccc(Cl)nc2)cccc1-c1nc2cccnc2s1 4063088 XFHASOYRGFKLDC-UHFFFAOYSA-N 380.860 4.967 0 40 GJAB Cc1cc(C)c2sc(N3CCN(c4nc5ccccc5s4)CC3)nc2c1 4137885 KYVMAUSICLSMCY-UHFFFAOYSA-N 380.542 4.849 0 40 GJAB Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1C 4554803 BXORTWFWGYNZJV-UHFFFAOYSA-N 376.847 4.943 0 40 GJAB CCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(C)cc1 4816671 CFBOJDMGDJBKLH-OALUTQOASA-N 380.879 4.717 0 40 GJAB O=c1c2c(-c3ccc(Br)cc3)csc2ncn1-c1ccccc1 4833879 YNPJWAYRDDIFNO-UHFFFAOYSA-N 383.270 4.877 0 40 GJAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)c1cccs1 5100961 CDOXTWKAEJRBSI-UHFFFAOYSA-N 399.479 4.875 0 40 GJAB CCN1C2=C(C(=O)CCC2)C(c2ccc(N3CCCC3)cc2)C2=C1CCCC2=O 6630225 KSBCGVHAJLIVSW-UHFFFAOYSA-N 390.527 4.720 0 40 GJAB CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 6871696 JLIGPHHWPQNPCC-UHFFFAOYSA-N 379.261 4.892 0 40 GJAB CCOc1ccc(-c2nnc(SCc3nc(-c4cccs4)no3)o2)cc1 8314000 LVZQHLWHNMIKMG-UHFFFAOYSA-N 386.458 4.539 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2C)N2CCCCC2)cc1 8613324 DSAIVPSHPBSLFT-OAQYLSRUSA-N 392.499 4.707 0 40 GJAB CCOc1ccccc1C(=O)OCc1nc(-c2cccc(C(F)(F)F)c2)no1 9734426 FEVRTOICNBSPEY-UHFFFAOYSA-N 392.333 4.511 0 40 GJAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccc(C)c(Cl)c3)CC2)cc1 9984471 AFWILTQAZPQHGA-BJMVGYQFSA-N 397.902 4.792 0 40 GJAB Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1C 11451519 ZKIOAMJEWVINEQ-UHFFFAOYSA-N 377.469 4.564 0 40 GJAB CSc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccc4nccnc4c3)C2)cc1 12389608 KASCFEGEGZUPJJ-OAQYLSRUSA-N 390.512 4.685 0 40 GJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12761382 FMVKIZPUVFFIKD-MRXNPFEDSA-N 378.255 4.742 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 12785448 PXWOEPFQTABCKO-OPAMFIHVSA-N 398.503 4.614 0 40 GJAB COc1cc(/C=C/C(=O)N(c2ccccc2)c2nc(C)cs2)cc(OC)c1 12921693 JJDZQRQKPUCTOW-MDZDMXLPSA-N 380.469 4.847 0 40 GJAB Cc1cc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c2ccccc2n1 12988282 FDFYUYUDRAZPNO-QHCPKHFHSA-N 390.483 4.832 0 40 GJAB COc1ccc(CN(C(=O)Cc2csc(-c3cccc(C)c3)n2)C2CC2)cc1 14067742 PYISXARGMJPTAC-UHFFFAOYSA-N 392.524 4.861 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc(Cl)cc1Cl 15582750 FCEFOISBEOJDME-IBGZPJMESA-N 389.282 4.574 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccc(Cl)cc1 16262949 HSEXMQCDVAFYLZ-LJQANCHMSA-N 399.947 4.923 0 40 GJAB O=C([C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2)N1CCCC1 20737443 MCSKZMUGQGBIOL-QFIPXVFZSA-N 388.511 4.756 0 40 GJAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 21046682 NCHRAYOQBBODBJ-UHFFFAOYSA-N 383.419 4.859 0 40 GJAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[C@@H]1Cc2ccccc2S1 23074323 MEQFOPNMVSFVOR-HNNXBMFYSA-N 387.810 4.937 0 40 GJAB O=C(CCc1ccc2ccccc2n1)OCc1c(F)c(F)c(F)c(F)c1F 24194208 WLBDLRCKQRVKIX-UHFFFAOYSA-N 381.300 4.606 0 40 GJAB Cc1nc2ccccc2nc1S[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 25057737 ZYCFQLYFRCQEMK-LBPRGKRZSA-N 382.514 4.706 0 40 GJAB CCOc1cc2c(cc1NC(=O)Cc1nc(-c3cccs3)oc1C)O[C@@H](C)C2 25073485 KVFDEXJLQHWEHO-LBPRGKRZSA-N 398.484 4.615 0 40 GJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c(C)c1 28236100 SGYQJFUTIUPZCY-AAEUAGOBSA-N 387.833 4.919 0 40 GJAB Fc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccncc2)cc1 29812880 VLFLDVZYNNSBCK-UHFFFAOYSA-N 380.423 4.900 0 40 GJAB CCOc1ccc(-c2csc(-c3nnn(-c4cccc(Cl)c4)c3N)n2)cc1 38486791 KERQHPZNDAQERJ-UHFFFAOYSA-N 397.891 4.692 0 40 GJAB O=C(NCc1ccccc1-n1ccnc1)c1ccccc1CCc1ccccc1 38754755 VXDLKZQTAVMOGS-UHFFFAOYSA-N 381.479 4.588 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)c(Cl)c1 38757307 ZBIVIJKFHCJHCS-GFCCVEGCSA-N 393.892 4.645 0 40 GJAB O[C@H](CSc1nnc(Nc2ccccc2F)s1)c1ccc(Cl)cc1 40050238 BQXSRKQKOZVBIY-CQSZACIVSA-N 381.885 4.900 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)c2C)no1 40080433 XFAQULPTIPABPZ-INIZCTEOSA-N 377.444 4.970 0 40 GJAB C[C@H](OC[C@H](O)CSc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 58012310 YOSMAHDWDUYHQQ-FZMZJTMJSA-N 396.921 4.682 0 40 GJAB C[C@@H](CC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccccc1 58115199 IEKWQAVNCSKMQW-IBGZPJMESA-N 383.495 4.895 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1Cl 58141100 TYEIIOJYDJMIBT-UHFFFAOYSA-N 381.259 4.849 0 40 GJAB Cc1cccn2cc(CC(=O)N(C)[C@@H](C)c3ccc(Cl)cc3Cl)nc12 58166315 IPDWMZSBZHRKEW-ZDUSSCGKSA-N 376.287 4.712 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 59488462 GTFOGTSWOZLHFC-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB O=C1C[C@@H](C(F)(F)F)c2sc(C(=O)O)c(-c3ccc(Cl)cc3)c2N1 66089636 DNYHBMFFRJRQFS-MRVPVSSYSA-N 375.755 4.755 0 40 GJAB CCn1c([C@@H]2CCCN2CC(=O)Nc2cccc(Cl)c2C)nc2ccccc21 72314372 MQAIYBAUATXABZ-FQEVSTJZSA-N 396.922 4.794 0 40 GJAB O=C(c1cccc(Br)c1)N(CCc1cccs1)Cc1ccco1 77183954 ISGYBZYWQFRWNT-UHFFFAOYSA-N 390.302 4.989 0 40 GJAB O=C(N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1cc(Cl)cc(Cl)c1 78733222 NWJAJDFGKZPBTE-RBUKOAKNSA-N 386.282 4.849 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1nnc(-c2ccccc2)s1 78968364 WKIAMFJBYQIUSA-OAHLLOKOSA-N 395.528 4.933 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCSC[C@@H]1c1cccs1 95403781 KPTXOEYJFASKPU-QGZVFWFLSA-N 398.557 4.873 0 40 GJAB CN(C)CCCC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 95452174 RVPKXTJAXWCHIT-IAGOWNOFSA-N 383.363 4.677 0 40 GJAB O=C(Nc1cccnc1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037737 LFONXWUUBQJDEX-UHFFFAOYSA-N 395.466 4.669 0 40 GJAB Cc1oc(-c2ccccc2)nc1CN1C(=O)S/C(=C/c2cccs2)C1=O 98003424 FONISWRGSORUIF-MHWRWJLKSA-N 382.466 4.948 0 40 GJAB O=C(CSc1nc2ccccc2o1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206669480 PXGPRIBMZAZWMH-MRXNPFEDSA-N 384.476 4.855 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cccc2ccccc12 218915299 MSRCKZGWLRJSNI-HXUWFJFHSA-N 391.467 4.646 0 40 GJAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 219419796 QFUGNPLTDSSVFO-UHFFFAOYSA-N 391.342 4.864 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 223746661 PVURRWQCRSTOCE-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3ccco3)cs2)cc1 225251030 GAHWWWKWZBSADG-GZTJUZNOSA-N 399.497 4.676 0 40 GJAB Fc1cc(Br)ccc1NC(=S)N[C@@H]1CCCc2ccccc21 225460577 AHQJQCHGLROKJC-OAHLLOKOSA-N 379.298 4.952 0 40 GJAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(F)cc1 225583254 WJTIAVDKVHXTKH-AWEZNQCLSA-N 392.877 4.708 0 40 GJAB COc1cc(C)c(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C(C)C 225664971 YEVYGYXIIRVJHK-UHFFFAOYSA-N 380.532 4.706 0 40 GJAB C[C@@H]1CCc2c(C(=O)N3CCC[C@H](c4cc(C(F)(F)F)n[nH]4)C3)csc2C1 461966170 OEHQTOIYIZHZNC-NEPJUHHUSA-N 397.466 4.635 0 40 GJAB O=C(c1cccc2nc(O)oc12)N1CCC(c2c(Cl)cccc2Cl)CC1 585083617 PXBXKWQDOOUSRK-UHFFFAOYSA-N 391.254 4.860 0 40 GJAB CC(C)c1ccc(CN2CCC[C@@]3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 1615118127 APVUZOSUYZLUIC-RUZDIDTESA-N 392.543 4.598 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)c2c(F)cccc2F)CN1c1cccc(F)c1 1615160034 WWIWMDAYRDXSPC-QFIPXVFZSA-N 388.433 4.768 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 886442 BNDLVRCSHTZNJI-UHFFFAOYSA-N 386.480 4.613 0 40 GJAB Cc1sc2ncnc(SCC(=O)Nc3nc4ccccc4s3)c2c1C 928937 JVLIDBMIIMVDST-UHFFFAOYSA-N 386.527 4.649 0 40 GJAB COc1cccc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)c1 1342490 DKQJKOVUAFJFLA-UHFFFAOYSA-N 381.501 4.667 0 40 GJAB CCOC(=O)c1cn(CC)c2cc(Cl)c(-c3ccco3)c(Cl)c2c1=O 2269905 MBIFUFWCJULRKM-UHFFFAOYSA-N 380.227 4.765 0 40 GJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1OC 2271437 CYEWXZDUNWIHRJ-NRFANRHFSA-N 378.403 4.614 0 40 GJAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1cccc(Cl)c1 2723703 BCXGAIMRVVWZKO-UHFFFAOYSA-N 378.284 4.910 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)c1ccn(COc2ccccc2F)n1 2786439 MWQJGQJNRFJYER-UHFFFAOYSA-N 380.206 4.618 0 40 GJAB Cc1noc(C)c1COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 3361322 BDXNREOOXGAESQ-UHFFFAOYSA-N 379.441 4.563 0 40 GJAB CC(=O)O[C@@H]1C[C@H]2CCCC[C@]2(C)[C@H]2C[C@@H](O)[C@](C)(C3SCCS3)C[C@@H]21 4114359 GEFRKHXTFACOQE-RBJBKSPJSA-N 398.634 4.718 0 40 GJAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(Br)s1 4134657 YPSNJYBYPGRRJN-UHFFFAOYSA-N 396.287 4.764 0 40 GJAB Cc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccncc2)cc1 4675678 NOXCLEUHAJIHOQ-UHFFFAOYSA-N 388.496 4.809 0 40 GJAB Fc1ccc(-c2nnc(SCc3cc(Cl)c4c(c3)OCCO4)o2)cc1 5315936 ILWWHQWIKBPQRY-UHFFFAOYSA-N 378.812 4.593 0 40 GJAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@]32C)[C@@]12CC[C@]1(CCOC1)O2 5528112 QETHKRDIJLVIMV-KSFWRXLCSA-N 378.553 4.699 0 40 GJAB biogenic C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 5612151 DXTIKOVWSAQFPL-INIZCTEOSA-N 377.415 4.528 0 40 GJAB Cc1nc(Cc2nnc(S[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)o2)cs1 5833954 LZJDTTHOPCSSTI-NSHDSACASA-N 398.513 4.579 0 40 GJAB COc1ccc(OCCn2cc(C(=S)N3CCCC3)c3ccccc32)cc1 5880128 ZWWLGEDWLVKDAX-UHFFFAOYSA-N 380.513 4.500 0 40 GJAB CCc1ccc(-n2c(N)c(C(=O)Nc3ccccc3OC)sc2=S)cc1 6388131 WLWXJPFFGWYAEN-UHFFFAOYSA-N 385.514 4.674 0 40 GJAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCCc2ccccc21 6607605 CNDJNUHYQWRDBS-UHFFFAOYSA-N 379.485 4.572 0 40 GJAB Cc1ccc2[nH]c(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)nc2c1 6649736 SWPUGQQARKHZJF-CYBMUJFWSA-N 396.541 4.793 0 40 GJAB Clc1ccc(CNc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1 6805465 JWGLDPRUGMDXDI-UHFFFAOYSA-N 386.846 4.605 0 40 GJAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1CCCc2ccccc21 6852818 HHLOKVWJGAHYTC-HXUWFJFHSA-N 393.512 4.786 0 40 GJAB Cc1cccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1C 7684885 UYSWGXOAMDOXRF-KRWDZBQOSA-N 380.513 4.698 0 40 GJAB O=C(c1cc2cc(Cl)ccc2o1)N1CCN(c2cccc(Cl)c2)CC1 8075599 IOTUBYRIPAISKD-UHFFFAOYSA-N 375.255 4.702 0 40 GJAB C[C@@H](Nc1nc(-c2cccnc2)nc2ccccc12)c1ccc2c(c1)OCCO2 8705262 ALISWQVMAQJIRY-OAHLLOKOSA-N 384.439 4.636 0 40 GJAB O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 9233350 MWJPXETXEWTFRO-OVCLIPMQSA-N 380.252 4.936 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)CCCOc2ccc(Cl)cc2)c1 10446001 QSQFUDKTLFYDIX-UHFFFAOYSA-N 375.852 4.623 0 40 GJAB ClC1(Cl)C[C@@H]1CSc1nnc(-c2ccncc2)n1-c1ccccc1 10991217 UNAMLXDXYCDGCA-CYBMUJFWSA-N 377.300 4.615 0 40 GJAB O=c1[nH]c(CN2CCCc3cccc(F)c32)nc2scc(-c3ccccc3)c12 12767527 ALQJZHJAOVQVDT-UHFFFAOYSA-N 391.471 4.744 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2c(F)cccc2Cl)c(OC)c1 12784835 MTUUBUARJZQDLI-GNISGLHKSA-N 389.854 4.873 0 40 GJAB Cn1c(-c2ccccc2F)nn(CN(Cc2ccc(F)cc2)C2CC2)c1=S 12852052 UMBYBOBABKRNSW-UHFFFAOYSA-N 386.471 4.518 0 40 GJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(Cl)c1 15880210 NQZHTYYCVDJBNP-UHFFFAOYSA-N 383.904 4.607 0 40 GJAB CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2oc3ccc(C)cc3c2C)CC1 19220498 RUODYMYDSPKSOV-DEOSSOPVSA-N 391.515 4.534 0 40 GJAB CN(CCOc1ccc(Cl)cc1)Cc1c([C@@H]2CCCO2)[nH]c2ncccc12 19586150 WDVCJFZGMIFMRZ-IBGZPJMESA-N 385.895 4.579 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCCc3ccccc32)cc1 20048478 JYRYZUNJHJLVOY-UHFFFAOYSA-N 386.451 4.620 0 40 GJAB Cc1ccc(-c2nsc(NC(=O)c3cc(=O)c4ccc(C)c(C)c4o3)n2)s1 21806082 DLLNQHIOFBVHHY-UHFFFAOYSA-N 397.481 4.551 0 40 GJAB O=C(NCCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 22504949 WBJNRFQBFCICCH-UHFFFAOYSA-N 399.494 4.644 0 40 GJAB Clc1ccc(N2CN(C[C@@H]3CCCO3)CN=C2c2ccccc2)cc1Cl 22609113 URXRKHBZOOZWBQ-KRWDZBQOSA-N 390.314 4.656 0 40 GJAB Cc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1Cl 22857468 RCSKSAVIGUTDOW-UHFFFAOYSA-N 386.931 4.558 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2cccnc2)cs1 29241351 XRHFYXUDPWGVLK-UHFFFAOYSA-N 378.482 4.889 0 40 GJAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C1 29516057 LAUJWEGEZMMNAH-CALCHBBNSA-N 379.529 4.745 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967636 QNUWQQZZOGMKHM-UHFFFAOYSA-N 375.350 4.542 0 40 GJAB CCOc1cc2c(cc1NC(=O)CCC(=O)c1ccc(SC)cc1)O[C@@H](C)C2 32756180 KFBCILQJXCXOHR-AWEZNQCLSA-N 399.512 4.732 0 40 GJAB CCOC(=O)c1nc(CSc2nn(-c3ccccc3)c(=S)s2)cs1 32912840 YRGPUYLZNIKPMA-UHFFFAOYSA-N 395.556 4.589 0 40 GJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H]1c1ccncc1 36661939 MHPFIGMYMAXUFN-GOSISDBHSA-N 381.863 4.686 0 40 GJAB CCCOc1ccccc1NC(=O)CN(C)[C@H](C)c1nc2ccccc2s1 39536493 ZRXUOGMNIWRLCN-OAHLLOKOSA-N 383.517 4.717 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2ccc(O)cc2)CC1 40096373 ZUZRGGKOUHGDEH-UHFFFAOYSA-N 381.520 4.993 0 40 GJAB CC(C)C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccccc1 44900767 CAELPZKISFNYBO-GOSISDBHSA-N 396.350 4.656 0 40 GJAB O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccccc2F)CC1 44917219 GYXIAQSILSDDIE-UHFFFAOYSA-N 396.506 4.998 0 40 GJAB CC(C)CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078824 OXHTXHDOSSHUPM-UHFFFAOYSA-N 384.907 4.709 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1CC(O)=Nc2c1cnn2C(C)(C)C 49545458 SQYHSXDARMADCA-QGZVFWFLSA-N 377.492 4.623 0 40 GJAB CC(C)[C@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cccs1 57614146 CFQDHJAYMGIKSH-LJQANCHMSA-N 383.565 4.889 0 40 GJAB COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2F)o1 58179560 NYOOQNGKMZMCHD-MRXNPFEDSA-N 395.430 4.537 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)c(C)c1 59227395 LEDCKJGBULTHBR-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccc(Cl)c1Cl 60355514 NIEKCZCZQRLZME-UHFFFAOYSA-N 379.218 4.760 0 40 GJAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(-c2ccccc2)nc2cc(F)ccc12 64850481 LJBGZLUCYBTQGR-UHFFFAOYSA-N 399.381 4.728 0 40 GJAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1cc(F)cc(F)c1 67296307 PFRFEKPPQDNVQA-DAFNUICNSA-N 377.350 4.591 0 40 GJAB Oc1cccc(CN(Cc2sccc2Br)C2CCC(O)CC2)c1 68973026 HTKMUIRLOAYPBL-UHFFFAOYSA-N 396.350 4.522 0 40 GJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NC(=O)NC2CC2)cc1 71844366 WBFUKWNJOYOPRT-FGZHOGPDSA-N 391.515 4.769 0 40 GJAB c1cnc(Nc2cccc([C@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)nc1 72376044 JGIAXNJCHDCBIH-FQEVSTJZSA-N 396.498 4.543 0 40 GJAB Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1 90443176 RCQUCMYEGJIJQZ-SANMLTNESA-N 396.538 4.779 0 40 GJAB CC(C)c1nc(-c2cc(C(=O)NCc3cccnc3)c3ccccn23)cs1 96154829 SOZZASABKMWXKZ-UHFFFAOYSA-N 376.485 4.511 0 40 GJAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cc(Cl)c(Cl)cc1Cl 102179900 SVAKAFMDBJFZIM-GARJFASQSA-N 390.694 4.955 0 40 GJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1[C@@H](C)CCC[C@@H]1C 102514665 ZREUTFRQWGQGFH-IHRRRGAJSA-N 390.578 4.612 0 40 GJAB O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(-c2cccs2)cc1 206833683 ZFJOLIKZNBKBDZ-HNNXBMFYSA-N 383.542 4.518 0 40 GJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(OC)c(OC)c1 219299760 ATYHUMZZQGZZKU-QFBILLFUSA-N 385.504 4.862 0 40 GJAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1C(C)C 223389787 XKIDXFFFHKQKAL-HNNXBMFYSA-N 379.497 4.614 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)oc12 225151455 GTVYHKCTWSPRPV-UHFFFAOYSA-N 382.441 4.651 0 40 GJAB CC(C)(C)NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1 225895891 OCWSCSCWCDRDIL-UHFFFAOYSA-N 399.564 4.734 0 40 GJAB CCOc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)c2ccccc12 225917306 SFFIITYDRQIHOX-UHFFFAOYSA-N 381.428 4.522 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 260912211 AOKURFZCEWOVRQ-FQEVSTJZSA-N 394.559 4.851 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1OC 409410484 NIROWZJUVZJVQP-CSKARUKUSA-N 382.243 4.671 0 40 GJAB O=C1C[C@@H]2CCN(CC3CC3)C[C@@H]2CCOc2ccc(-c3ccccc3)cc2N1 1534646981 ZWBFZBWFHMGMQX-VXKWHMMOSA-N 390.527 4.813 0 40 GJAB CCCc1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1 1665323135 CZJWDSCQRIBHEL-GOSISDBHSA-N 385.895 4.610 0 40 GJAB COc1cc(/C=C2\N=C(c3cccs3)OC2=O)ccc1OCc1ccccc1 647271 OUCNKFMDOIPVTJ-ATVHPVEESA-N 391.448 4.680 0 40 GJAB O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1 868182 DQQYRQHMMCMOIO-UHFFFAOYSA-N 382.419 4.579 0 40 GJAB Cc1cccc2cc(CN(C(=O)NC3CCCCC3)C3CCCC3)c(=O)[nH]c12 880541 VFPDIGMOYRRMRG-UHFFFAOYSA-N 381.520 4.623 0 40 GJAB Cc1ccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 980795 HQIWPABWUPCNKP-HZHRSRAPSA-N 398.462 4.667 0 40 GJAB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c1OC(C)C 1008404 NGQQKMJVIXAIBQ-LDADJPATSA-N 383.469 4.719 0 40 GJAB COc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C)CCC3 1339899 FFXXYUJEZXTFKF-UHFFFAOYSA-N 378.497 4.771 0 40 GJAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1 2255061 OFVXSMFLAUYTFJ-PKTZIBPZSA-N 396.425 4.630 0 40 GJAB Cc1cc2oc(C(=O)Nc3ccc(OC(F)F)cc3)cc(=O)c2cc1Cl 2434932 IJBYKLRYIVHNQP-UHFFFAOYSA-N 379.746 4.609 0 40 GJAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccc2c(c1)OCCO2 2483664 WUBRQLROPSBGMR-UHFFFAOYSA-N 388.448 4.572 0 40 GJAB C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C1C2CC3CC(C2)CC1C3 2502138 BUIBFHAYTHTMFH-QVVGYRBSSA-N 375.578 4.723 0 40 GJAB COC(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 2736780 JQNGCSOWHZOBJV-HXUWFJFHSA-N 377.465 4.945 0 40 GJAB CCCCN1C(=O)/C(=C/c2ccc(COc3cc(C)cc(C)c3)o2)N=C1S 2792155 XOFOFNVWYPAINE-UNOMPAQXSA-N 384.501 4.744 0 40 GJAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)cc3)o2)c1C 3534277 LBCTZVCRRKDCFB-UHFFFAOYSA-N 385.489 4.549 0 40 GJAB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4087640 HFDNCDLAZSQRLG-UHFFFAOYSA-N 399.903 4.924 0 40 GJAB COc1ccc(NCC(=O)N2c3ccccc3Sc3ccccc32)c(OC)c1 4091113 XBBSXYBDFJIWLV-UHFFFAOYSA-N 392.480 4.945 0 40 GJAB Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1 4937030 HBIXLNKEOBDUCU-UHFFFAOYSA-N 389.401 4.867 0 40 GJAB O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc(F)cc1F 4993473 WTTHHJRLOIQTQG-UHFFFAOYSA-N 399.378 4.645 0 40 GJAB COc1ccc(OCCSc2nnc(-c3ccccc3F)n2C2CC2)cc1 5312949 FFYTWCMHISJFHN-UHFFFAOYSA-N 385.464 4.599 0 40 GJAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3c(F)cccc3Cl)NC(=O)CCN21 5377094 LAOHKVKGJQBJDZ-XBFAEUMISA-N 384.882 4.815 0 40 GJAB O=C([C@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1)N1CCCCC1 5473704 LLXITZGINQUASH-GOSISDBHSA-N 397.475 4.722 0 40 GJAB O=C(COC(=O)c1cccc(OC(F)F)c1)c1ccc2c(c1)-c1ccccc1C2 6079095 DQZACANSGVOQKF-UHFFFAOYSA-N 394.373 4.899 0 40 GJAB Clc1ccccc1-c1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1 6507290 YQDFYWPQCVWBJC-INIZCTEOSA-N 385.920 4.918 0 40 GJAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1 6732365 VHMACOSVMDYEOX-AREMUKBSSA-N 399.490 4.565 0 40 GJAB aggregator COc1ccc(-c2coc3cc(OCCN4CCC(C)CC4)ccc3c2=O)cc1 6759704 RPRGHYISVYKJBQ-UHFFFAOYSA-N 393.483 4.579 0 40 GJAB biogenic COC(=O)CCSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 6821386 SQTXNCHWRJFJAO-UHFFFAOYSA-N 387.892 4.551 0 40 GJAB CCCC(=O)Nc1ccc(C(=O)COc2ccc(Br)cc2F)cc1 7293939 PCRAGDGVQXRCJN-UHFFFAOYSA-N 394.240 4.589 0 40 GJAB Cc1cc(NC(=O)CSCc2nc3ccccc3[nH]2)ccc1Br 7725506 LVEUAKFSNVAJBO-UHFFFAOYSA-N 390.306 4.506 0 40 GJAB C[C@@H]1C[C@H](Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)C(=O)O1 8274733 HQXTVUMOUYUCEL-ABAIWWIYSA-N 377.897 4.510 0 40 GJAB Cc1nc2cc(NC(=O)c3ccccc3OCc3csc(C)n3)ccc2o1 8315630 XGRIXCQPHZJUQE-UHFFFAOYSA-N 379.441 4.732 0 40 GJAB C[C@@H](CC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccccc1 9156336 SWDXLLZVFLGUMG-AWEZNQCLSA-N 380.469 4.714 0 40 GJAB COc1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 10663192 SKXYPLHMGKQZRX-WZONZLPQSA-N 375.468 4.677 0 40 GJAB C[C@@H]1CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)C[C@@H](C)O1 11560687 DGEAQYMWAGSDAC-HZPDHXFCSA-N 380.463 4.542 0 40 GJAB CCCCc1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1 11835283 WBGGXVLYXAAPNO-UHFFFAOYSA-N 397.500 4.902 0 40 GJAB CCc1ccc2c(c1)[C@]1(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN31)C(=O)N2 11990388 RKENTDBSUSWXHA-RDGATRHJSA-N 395.462 4.598 0 40 GJAB CCOc1cc2c(cc1CNC(=O)c1cc(SC)ccc1Cl)O[C@H](C)C2 12766848 NPUWIEMVWAANPA-GFCCVEGCSA-N 391.920 4.714 0 40 GJAB CCOCc1c(C(=O)NCC2(N3CCCCC3)CCCCC2)oc2ccccc12 12804487 KQMFIZPXTAKYTA-UHFFFAOYSA-N 398.547 4.888 0 40 GJAB COc1ccccc1N(C(C)=O)c1nc(COc2ccc(F)cc2F)cs1 12934898 DSZCMRWVBQNIQY-UHFFFAOYSA-N 390.411 4.694 0 40 GJAB O=C(CSc1nnc(NC2CCCCC2)s1)N1CCC[C@H]2CCCC[C@H]21 12971980 JJVOZFMAJQQQMG-GDBMZVCRSA-N 394.610 4.556 0 40 GJAB CC(C)COc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 15832053 PKFWATKMQRBGPH-UHFFFAOYSA-N 378.472 4.882 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cn1 16322405 QTKALKYHFWGRCM-QMMMGPOBSA-N 390.064 4.557 0 40 GJAB Cc1ccc(C(=O)NCc2c(-c3ccc(Cl)cc3)nc3n2CCS3)cc1 17040967 LWWYGOWJQAWOFX-UHFFFAOYSA-N 383.904 4.548 0 40 GJAB Cn1c(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)nc2cc(Cl)ccc21 19714221 NXSZLZTWEYZLLA-QGZVFWFLSA-N 397.906 4.578 0 40 GJAB Cc1nn(-c2ccccc2)c(NS(=O)(=O)c2ccccc2)c1-c1ccccc1 20636412 NWJPFGMBSABZFI-UHFFFAOYSA-N 389.480 4.649 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3cccc(F)c3)n2)cc1 22458302 UGBZPRLFKZKVFQ-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB COc1ccc2nc(NC(=O)c3ccc(OCc4cccnc4)cc3)sc2c1 24667578 MMRAHQBXKWVDGN-UHFFFAOYSA-N 391.452 4.531 0 40 GJAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3cccs3)oc2c1 27989397 MKVZNOMXXPDFCS-UHFFFAOYSA-N 379.437 4.599 0 40 GJAB Cc1ccc2ncnc(OCc3nc(-c4ccc(C(F)(F)F)cc4)no3)c2c1 32922630 HHOVCNRSWWLSRU-UHFFFAOYSA-N 386.333 4.586 0 40 GJAB COc1c(Br)cc(Br)cc1CNc1ccc(F)cc1 37210529 QNPVGMBKJQHZRY-UHFFFAOYSA-N 389.062 4.971 0 40 GJAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)cn1 40039972 YODMVZKQFPIMQL-UHFFFAOYSA-N 378.272 4.602 0 40 GJAB CC(=O)c1ccc(NC(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1 40135589 BRJRSLFGFMMGCT-UHFFFAOYSA-N 394.450 4.515 0 40 GJAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(SC)c1 49005577 WTOKIVNTDROSTG-UHFFFAOYSA-N 380.517 4.886 0 40 GJAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)o1 57658438 IGHXXJQSWJHTFC-GCJKJVERSA-N 380.532 4.638 0 40 GJAB O=C(Nc1cccc(N2CCOC2=O)c1)c1csc(-c2cccc(Cl)c2)n1 57991336 MEDQXSLCNDAOKM-UHFFFAOYSA-N 399.859 4.672 0 40 GJAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 67257623 KYAJJDQMRJAQKM-UHFFFAOYSA-N 399.903 4.845 0 40 GJAB CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)/C(=C/c3cnn(C)c3)C[C@H]12 71782823 BXJRUGUVBIWBJI-VPYSMBDQSA-N 392.543 4.729 0 40 GJAB CC(C)N(c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1)C(C)C 72212996 MZBMJOZJSGSFKX-UHFFFAOYSA-N 377.529 4.583 0 40 GJAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72214496 OGLCZPXMJFHFFQ-HNNXBMFYSA-N 377.485 4.525 0 40 GJAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)=O)cn1 72215177 WTKIOXRQSPGWKG-QAPCUYQASA-N 375.513 4.695 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359349 KLMWERHPACMKBF-QGZVFWFLSA-N 395.865 4.956 0 40 GJAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2C(=O)CC2CCCCC2)n1 72359902 MLLWGIWQEDLOPI-SFHVURJKSA-N 399.564 4.927 0 40 GJAB O=C(c1cc(-c2ccccc2)on1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 84560080 VMSDFVZZELOCHJ-IFMALSPDSA-N 390.483 4.850 0 40 GJAB Cn1c(CNc2ncnc3cc(-c4ccc(Cl)cc4)sc23)nnc1C1CC1 95467593 AOKMWJXPMXCLHR-UHFFFAOYSA-N 396.907 4.630 0 40 GJAB CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 107808197 UTZGKPGKSLTCEO-UHFFFAOYSA-N 392.480 4.893 0 40 GJAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 216463521 TWYOXYUIWIIMBY-PKOBYXMFSA-N 383.001 4.982 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 222988100 DBIIEHBHQBMSPV-SFHVURJKSA-N 375.852 4.540 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 224139883 SJVLQNQKEXYGDW-KRWDZBQOSA-N 389.923 4.872 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)[nH]1 224890442 GZZHDBPJUZWOBI-PMACEKPBSA-N 380.492 4.651 0 40 GJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225840425 QBHOKVBGWLMVKY-KSFYIVLOSA-N 393.524 4.820 0 40 GJAB CCCSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2s1 408750718 QWINTMHSHSQOFJ-CHWSQXEVSA-N 378.519 4.628 0 40 GJAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 409102593 DNDMMJCOSWCAIC-UHFFFAOYSA-N 386.908 4.522 0 40 GJAB c1ccc(Oc2ccncc2-c2nc(-c3ccc(-c4nnco4)cc3)no2)cc1 515505129 LCAQDKDWDXVHJL-UHFFFAOYSA-N 383.367 4.641 0 40 GJAB Fc1ccccc1CN1CCOc2ccccc2CCCCC2(CCNCC2)C1 643570600 GBTRJCWPQDGFGC-UHFFFAOYSA-N 396.550 4.803 0 40 GJAB O=C(CNc1ccccc1Cl)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 1567322315 AAUURVDQBIRGSH-AWEZNQCLSA-N 382.813 4.787 0 40 GJAB CC(=O)Nc1ccc(CN2CC[C@@H](Nc3ccccc3)[C@@H](CC(C)C)C2)cc1 1848357097 NXUXUUUBQKAPSI-XUZZJYLKSA-N 379.548 4.994 0 40 GJAB Cc1cc(Cl)nc(Cc2cc(C)c(Cc3nc(C)cc(Cl)n3)cc2C)n1 842895 ZXIRSHVFQYKTTL-UHFFFAOYSA-N 387.314 4.989 0 40 GJAB CCOC(=O)c1c(NC(C)=O)sc(Br)c1-c1ccc(C)cc1 937120 NKDKQQDUNURIDL-UHFFFAOYSA-N 382.279 4.621 0 40 GJAB O=C(CSc1nnc2sc3ccccc3n12)c1ccc(OC(F)F)cc1 1006927 YFUDPGWEKVYLBE-UHFFFAOYSA-N 391.424 4.520 0 40 GJAB O=C(N[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1)c1ccccc1 1086647 NBTCWULLIDZWQU-HXUWFJFHSA-N 398.384 4.756 0 40 GJAB COc1cccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)c1 1327066 WPCCSMXALCTMEI-UHFFFAOYSA-N 383.542 4.881 0 40 GJAB CCc1ccc2nc3sc(C(=O)Nc4nc(C)c(C)s4)c(N)c3cc2c1 1342804 CBHCINCUMIFYQT-UHFFFAOYSA-N 382.514 4.920 0 40 GJAB CCOC(=O)c1c(NC(=O)c2oc3ccccc3c2C)sc(C(C)=O)c1C 1473901 HXURCVVVIQJKQG-UHFFFAOYSA-N 385.441 4.743 0 40 GJAB COc1cc2c[n+](C)c(-c3ccc(Cl)c(Cl)c3)c(OC)c2cc1OC 1565996 AMDOAXQQYJOZMY-UHFFFAOYSA-N 379.263 4.664 0 40 GJAB CCCCCNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CC(C)(C)OC3 2380831 BKLSMVDCXHQWTB-UHFFFAOYSA-N 399.564 4.947 0 40 GJAB c1ccc(-c2ccc(-c3nn(-c4ccccc4)[n+](-c4ccccc4)n3)cc2)cc1 2528004 XLGGQOCFBGFABF-UHFFFAOYSA-N 375.455 4.878 0 40 GJAB Cc1ccc2c(c1)C1=C([C@@H](c3ccccc3)O2)[C@H](c2cccs2)N2N=CNC2=N1 2707276 MWQROICGVSRTNC-FCHUYYIVSA-N 398.491 4.861 0 40 GJAB Oc1nc(Nc2cccc(C(F)(F)F)c2)nnc1Cc1ccccc1Cl 2718991 RHIGUADSTFDEOH-UHFFFAOYSA-N 380.757 4.584 0 40 GJAB COc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2cccc(C)c2)cc1 2726213 LPQGYSKDMURQJE-FQEVSTJZSA-N 393.512 4.855 0 40 GJAB CCCNC(=O)COC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 3319282 XYRLSLUXNRSBFH-UHFFFAOYSA-N 396.874 4.547 0 40 GJAB COc1ccc(CNCC[C@]2(c3ccccc3)CCO[C@@H](C(C)C)C2)cc1OC 4038284 HKZGFXRTZIEFRY-RPBOFIJWSA-N 397.559 4.957 0 40 GJAB biogenic N#Cc1cc(Oc2ccccc2-c2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1C#N 4629448 XFTSPSQKUKVDDT-UHFFFAOYSA-N 381.351 4.674 0 40 GJAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1ccccc1Br 4689281 FYJMUEZXFSXCRC-MDWZMJQESA-N 380.288 4.747 0 40 GJAB COc1ccc(NC(=O)c2cccc3c2C(=O)N(c2ccccc2Cl)C3)cc1 4751377 UNEPGOWJIRFMBL-UHFFFAOYSA-N 392.842 4.761 0 40 GJAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1 5597606 QOBKDAUQIZLEPD-UHFFFAOYSA-N 398.484 4.868 0 40 GJAB CC(C)C(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 5841656 NECPGCDBCYFCMX-UHFFFAOYSA-N 381.259 4.605 0 40 GJAB Cc1c(N)c(Br)cc(Br)c1-c1nc2ccccc2o1 6275624 SSMCOFLPTIDSMC-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)n2)cc1 6581833 YRNDIIAQTAJVQX-CYBMUJFWSA-N 392.484 4.634 0 40 GJAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1 6966691 PMNQSKSCNHGFBL-UHFFFAOYSA-N 390.483 4.942 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ncnc3sc(-c4ccccc4)cc23)cc1C 8132330 GQIADHUCGAYTQQ-UHFFFAOYSA-N 395.509 4.776 0 40 GJAB Cc1n[nH]c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 8762418 JYXKPLMLMAALGP-HNNXBMFYSA-N 392.406 4.604 0 40 GJAB CN1CCC[C@@H](CNC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)C1 9876527 WSJSILTXEANKKH-HNNXBMFYSA-N 389.952 4.761 0 40 GJAB CC[C@@H](C)NC(=O)C1(Cc2ccccc2-c2ccc(OC)cc2)CCOCC1 12231472 JRQQZXBQCJVLDZ-GOSISDBHSA-N 381.516 4.616 0 40 GJAB CC[C@H](C)NC(=O)C1(Cc2ccccc2-c2ccccc2OC)CCOCC1 12241865 VONKQPNDSHNMHC-SFHVURJKSA-N 381.516 4.616 0 40 GJAB COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)c1 12371554 MVHNPQGGSBECME-HNNXBMFYSA-N 397.427 4.735 0 40 GJAB O=C([C@@H](Sc1nc(-c2ccccc2)cs1)c1ccccc1)N1CCOCC1 12819256 IEAVRHRHSVZNLR-IBGZPJMESA-N 396.537 4.502 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1cccc(Cl)c1 12865033 KOCHGTJDXMJMJD-UHFFFAOYSA-N 388.876 4.827 0 40 GJAB CCc1ccc([C@@H](NC(=O)c2ccc(C(=O)OC)cc2)c2cccc(F)c2)cc1 12912697 ZQANIGWMEMGCJB-JOCHJYFZSA-N 391.442 4.694 0 40 GJAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14665421 ZXVKCYUSWXPTEB-INIZCTEOSA-N 382.504 4.528 0 40 GJAB Cc1ccc2nc(-c3ccc(CNC(=O)c4cccnc4Cl)cc3)oc2c1 16348664 DTICKCBOHNPKRQ-UHFFFAOYSA-N 377.831 4.782 0 40 GJAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 17346262 MSRGWOXQWMECLY-UHFFFAOYSA-N 382.466 4.847 0 40 GJAB Cc1ccc(OCc2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)cc1 18184026 IJPTVGVEGTVHCJ-UHFFFAOYSA-N 386.904 4.543 0 40 GJAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC(C)=O)cc1 19855111 ORRZTUWZZSPQTC-FQEVSTJZSA-N 397.471 4.619 0 40 GJAB c1ccc2c(c1)nc(Nc1ccc(C34CC5CC(CC(C5)C3)C4)cc1)c1nnnn12 20058978 LPYNYMIBNQGZFX-UHFFFAOYSA-N 396.498 4.884 0 40 GJAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(Br)o1 20139798 URUGDHUYANAFSY-UHFFFAOYSA-N 396.624 4.700 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC(C)C)c(OC)c1 20457575 BOFZQRNVNWFOCG-KRWDZBQOSA-N 391.895 4.610 0 40 GJAB CCc1ccc2nc(Nc3nc(=O)cc(-c4ccc(Cl)cc4)[nH]3)nc(C)c2c1 20633974 RYFCRMWKWYBFTP-UHFFFAOYSA-N 391.862 4.648 0 40 GJAB C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)N1CCCc2ccccc21 20978945 KSISRKXSTZFRMP-GFCCVEGCSA-N 378.255 4.518 0 40 GJAB CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(OC(F)(F)F)c1 24768834 ZLUFMJLTGPXZOM-UHFFFAOYSA-N 385.411 4.781 0 40 GJAB Cc1nc2cc(C(=O)Oc3ccc(-c4nnco4)cc3)ccc2n1-c1ccccc1 30015694 DNMQKMSZVODSLR-UHFFFAOYSA-N 396.406 4.603 0 40 GJAB CCc1ccc([C@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)N(C)C)cc1 32733972 YRKANCQSWZBDFF-SFHVURJKSA-N 383.294 4.728 0 40 GJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 32753903 FGDQAWMOGYJOFH-UZLBHIALSA-N 379.456 4.824 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1C(=O)O 35648273 IKVIAICUHYXVET-OVCLIPMQSA-N 389.885 4.752 0 40 GJAB C[C@@H](NC(=O)CSc1nnc(C(C)(C)C)o1)c1ccc(Cl)cc1Cl 40134556 KDFYVTGBMGIGDQ-SECBINFHSA-N 388.320 4.643 0 40 GJAB CC(C)c1ccc(OCCOC[C@H](O)CN2C(C)(C)CCCC2(C)C)cc1 40373321 NBPAVBNJGSSYQA-HXUWFJFHSA-N 377.569 4.609 0 40 GJAB O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 44917224 YBJJPXKNVQZOCT-UHFFFAOYSA-N 396.506 4.998 0 40 GJAB Cc1ccccc1NC(=O)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 50011500 CNDKOWAROTUXSG-RWEWTDSWSA-N 385.423 4.627 0 40 GJAB c1ccc(CN2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1 58160382 FVTXQYHICLKQPA-UHFFFAOYSA-N 386.524 4.681 0 40 GJAB COc1cc(/C=C/C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)cc(OC)c1 60033027 FOJIFGJXMNNAJD-RMKNXTFCSA-N 390.439 4.851 0 40 GJAB Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@@H](C)CCc1ccccc1 71326511 GRLNPZFXNFVZSG-KRWDZBQOSA-N 393.556 4.857 0 40 GJAB Cc1cnc(C(=O)N2CCCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cn1 72370029 SPJRNCAQJGAIFI-QFIPXVFZSA-N 390.462 4.662 0 40 GJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)C2CCCC2)n1 72377062 SFMOOXQWIIOSKX-GOSISDBHSA-N 384.911 4.623 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1C(C)(C)C 72414295 ODMRUAKALQNXIM-UHFFFAOYSA-N 384.501 4.732 0 40 GJAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(Br)c(F)c1 95067976 RZVMFOVSWZNBAI-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB C[C@@H](O)C[C@@H]1CCCN1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 95434745 SKXWAIPGZXHBBY-AEFFLSMTSA-N 389.580 4.682 0 40 GJAB CC[C@@H](Nc1nc(Cl)c(C(=O)OC)s1)c1nc(-c2ccccc2)c[nH]1 95460562 UPMAYGPLEOAWJH-LLVKDONJSA-N 376.869 4.536 0 40 GJAB O=C(O)c1ccc([C@@H]2SCC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)cc1 95477584 WPUFPFGQMHNNGC-KRWDZBQOSA-N 399.859 4.648 0 40 GJAB Cc1cc(C)cc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c1 95956477 SKAJSGZOPWTHFQ-UHFFFAOYSA-N 377.513 4.842 0 40 GJAB CCCOc1ccc(CCC(=O)NCc2cccc(Oc3ccccn3)c2)cc1 96104539 RNJBXKMEMSUASV-UHFFFAOYSA-N 390.483 4.912 0 40 GJAB COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3SC(C)C)n2)cc1 96234458 DAGYHYXFGHUUIU-UHFFFAOYSA-N 397.500 4.518 0 40 GJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)n1 100738844 NTCKDNGGBPXUDG-TYPHKJRUSA-N 390.531 4.593 0 40 GJAB COc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)ccc1OC(C)C 100765551 AOIWQUCXSYGGNT-NHCUHLMSSA-N 399.506 4.636 0 40 GJAB Cc1ccc([C@H](OC[C@@H](O)CN[C@H](C)c2ccccc2)c2ccccc2)cc1 102283315 UTLMVRAUAPUKKC-DCEDVJGZSA-N 375.512 4.813 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCCC2)c1C 222780769 RKGBUAQWWSBRLI-SFTDATJTSA-N 382.577 4.998 0 40 GJAB CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc2ccccc2c1 225046129 ROMCLKVBEVKJRK-UHFFFAOYSA-N 390.302 4.818 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)on1 257319683 VTPIZYCPPZFJPB-DKIMLUQUSA-N 396.535 4.609 0 40 GJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2C)cc1 408678504 SKGANICQOSTCCN-UHFFFAOYSA-N 384.435 4.745 0 40 GJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cccc(Br)c3)S2)cc1 408775706 RNGZUWDWUBVSCX-MUMAZLPKSA-N 389.318 4.611 0 40 GJAB CCCCCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC 408982222 CTBSKPUREIXGPG-XMHGGMMESA-N 395.455 4.617 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)c1 409088332 LCJBEVXEQPFMHJ-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB CCCN1C(=O)S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C1=O 409334544 SVDSIWIDJBUMNC-MDWZMJQESA-N 393.827 4.508 0 40 GJAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)[C@@H]1C[C@H]2CC[C@H]1O2 504549158 SZVJBDFFWMJHCH-QWFCFKBJSA-N 376.481 4.983 0 40 GJAB COc1ccccc1[C@H]1CCC[C@@H](C)N1C(=O)C[C@H](n1cccn1)C(F)(F)F 585114329 UJOFVJNJPUKPHI-KYJSFNMBSA-N 395.425 4.528 0 40 GJAB Cc1ccc(C)c(C2=NO[C@H](C(=O)N[C@@H]3CCC(C)(C)c4ccccc43)C2)c1 1535582612 XRNGZTMGUCVKAN-IRLDBZIGSA-N 376.500 4.725 0 40 GJAB Cc1ccccc1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918236 NVUIBSZXIMZDQN-UHFFFAOYSA-N 386.333 4.569 0 40 GJAB COc1cc(NC(=O)c2cccc(Cl)c2)c(OC)cc1NC(=O)CC(C)C 1324350 BIEOMGOOIZPDCM-UHFFFAOYSA-N 390.867 4.594 0 40 GJAB Cc1cc2c(ncn2C(C)C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1C 1388522 KIXJSLRZMLSZNV-UHFFFAOYSA-N 377.897 4.688 0 40 GJAB C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 1425925 GQLFXGMXSHVQIO-WAIKUNEKSA-N 386.451 4.693 0 40 GJAB COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 1903916 PUZXYWSFCYIWBJ-UHFFFAOYSA-N 398.484 4.625 0 40 GJAB Cc1ccccc1CN1C(=O)[C@](O)(c2c(C)[nH]c3ccccc23)c2ccccc21 2438258 DVMNMCGBOMOJDV-RUZDIDTESA-N 382.463 4.567 0 40 GJAB COc1ccc(NC(=O)CCCSc2nc3ccccc3s2)c(OC)c1 2628476 VILYBOKJKVRRDU-UHFFFAOYSA-N 388.514 4.825 0 40 GJAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(-c2cn3ccsc3n2)cc1 2656671 DBQHVWBALNRDTF-UHFFFAOYSA-N 389.480 4.569 0 40 GJAB Cc1ccc(SCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 2695802 BSQBFEITTSFTNF-UHFFFAOYSA-N 387.555 4.870 0 40 GJAB Cc1n[nH]c(C)c1NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 3305530 VBONCHCHCBFSSE-UHFFFAOYSA-N 385.880 4.641 0 40 GJAB C[C@H](Sc1ncnc2sccc12)C(=O)Nc1nc(-c2ccccc2)cs1 3353534 HSQLNLKRLLWJJE-NSHDSACASA-N 398.538 4.934 0 40 GJAB C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1N)c1ccc(F)cc1 4287424 LXRLTPZPWUWALX-AWEZNQCLSA-N 378.476 4.728 0 40 GJAB O=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccc(Cl)c(Cl)c1 4392124 HILWHQDTAMOEOH-UHFFFAOYSA-N 391.283 4.576 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4703060 TYSAQNGDCAXRDI-JTQLQIEISA-N 383.662 4.638 0 40 GJAB Cc1ccc(N(C(=O)NCCc2ccccc2)C2=NCC(C)(C)S2)cc1C 4785594 VQYYOWCJMXJDHW-UHFFFAOYSA-N 381.545 4.944 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)cc1 4880620 SNAQUXLRFQFLIX-UHFFFAOYSA-N 385.217 4.559 0 40 GJAB CCc1c(C)sc2nc(C)nc(SCC(=O)Nc3ccccc3OC)c12 4888823 YMZXMZXPDQRHOK-UHFFFAOYSA-N 387.530 4.610 0 40 GJAB CC1(C)CC(=O)C2(Cc3ccccc3N3CC[C@@H](c4ccccc4)C[C@H]32)C(=O)C1 4915038 JEWFMOLKHLSBHQ-KNQAVFIVSA-N 387.523 4.940 0 40 GJAB COc1cccc(-n2c(SCc3ccccc3F)nc3ccccc3c2=O)c1 4979312 MEZMUIXNBWJCQZ-UHFFFAOYSA-N 392.455 4.826 0 40 GJAB O=C(O)C[C@@H](SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 5119212 CFLMKRQPILKQFA-HXUWFJFHSA-N 392.476 4.640 0 40 GJAB Cc1cc(C)c2nc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)sc2c1 5182308 BTELREDNVPJJFA-UHFFFAOYSA-N 391.949 4.590 0 40 GJAB COc1ccc2c(CCNC(=O)/C=C/c3cccc(C(F)(F)F)c3)c[nH]c2c1 5348354 MYTGESJFAUHXEJ-VMPITWQZSA-N 388.389 4.567 0 40 GJAB O=C(NC[C@@H]1CCCO1)c1ccccc1Nc1ccc(SC(F)F)cc1 5446844 LZENDHFABKVEAA-AWEZNQCLSA-N 378.444 4.654 0 40 GJAB O=C(CSc1ncnc2ccccc12)N[C@H](Cc1ccccc1)c1ccccc1 7425013 CSFJUKJOTGZIBN-JOCHJYFZSA-N 399.519 4.822 0 40 GJAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC(Cc2ccccc2)CC1 8269830 BWHNVYZBNTWAIF-UHFFFAOYSA-N 385.511 4.845 0 40 GJAB O=C(CSc1cc(F)ccc1F)Nc1ccc2c(c1)OC1(CCCC1)O2 8312928 PRVJAEOLTHJVJH-UHFFFAOYSA-N 377.412 4.737 0 40 GJAB COc1cccc2cc(/C=C/C(=O)OCC(=O)Nc3ccccc3C(C)C)oc12 11578885 IEOHMMFNHYRNJT-VAWYXSNFSA-N 393.439 4.760 0 40 GJAB Cn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nc2ccccc21 12546264 CLFVYRHZGMKQHP-UHFFFAOYSA-N 387.508 4.895 0 40 GJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)[C@@H](C)c2ccccc2)c1 12809712 PNXYKVYKKPPNAL-INIZCTEOSA-N 380.517 4.526 0 40 GJAB O=C(Nc1ccc2oc3ccccc3c2c1)[C@H]1CCCN(C(=O)c2ccoc2)C1 12930447 IKSYCRFLRNPPST-HNNXBMFYSA-N 388.423 4.670 0 40 GJAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc(C)c1 13584606 RAQSQPFSRRJICR-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Nc1c(Cl)c(Cl)nc(C(=O)OCc2nc3ccccc3s2)c1Cl 14677433 MCUABWIIKVQOQQ-UHFFFAOYSA-N 388.663 4.591 0 40 GJAB O=C(O)c1ccc(CNCc2ccccc2OCc2ccccc2Cl)cc1 16449729 HSYXEZOEJMYTDC-UHFFFAOYSA-N 381.859 4.907 0 40 GJAB CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 19081752 KUKVZNFEICBDBJ-IFMALSPDSA-N 397.538 4.869 0 40 GJAB Cc1cccc(CN2CCC(c3noc4nc(C)cc(C(F)(F)F)c34)CC2)n1 19236175 LZHHKSZCVADSAI-UHFFFAOYSA-N 390.409 4.633 0 40 GJAB Cc1ccccc1NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20241726 JEQLMFPTJURDJC-UHFFFAOYSA-N 385.511 4.570 0 40 GJAB Cc1c(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)oc2ccc(F)cc12 21274930 DKTZPQFOSGWWOD-UHFFFAOYSA-N 395.217 4.556 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[C@H](C)CCC(C)C)cs1 23054906 ROGCPKRNFVVLDS-CJTWTEFWSA-N 385.533 4.782 0 40 GJAB O=C(NCc1ccc(Br)s1)c1cccnc1Oc1ccccc1 25475312 XQEQTPRUACQASK-UHFFFAOYSA-N 389.274 4.628 0 40 GJAB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCc1cccnc1 26159679 AYPKEELITNVVSZ-UHFFFAOYSA-N 383.451 4.653 0 40 GJAB Brc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222606 BFEGJKNLQIYOIO-FQEVSTJZSA-N 396.332 4.861 0 40 GJAB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 28288702 JLDVBQVDUBZKDF-QHCPKHFHSA-N 394.559 4.625 0 40 GJAB Cc1cc(C)n(-c2ccccc2NC(=O)CCc2nc3ccccc3s2)n1 31599834 KIECONOOGQPWEV-UHFFFAOYSA-N 376.485 4.670 0 40 GJAB COc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)c3c(C)noc3n2)cc1 36617478 QSRFRDGVUPTAAQ-UHFFFAOYSA-N 379.460 4.612 0 40 GJAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1csc(C2CCCC2)n1 60211061 ZFDYFHBQRJSWKE-UHFFFAOYSA-N 380.300 4.866 0 40 GJAB CCCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(O)cc1 62715843 VTQIKVKADHAMNV-XCVCLJGOSA-N 376.250 4.595 0 40 GJAB O=[S@](Cc1cc(Cl)c2c(c1)OCCCO2)Cc1ccc(F)cc1Cl 69820442 YUVAUHXJEDVMMY-DEOSSOPVSA-N 389.275 4.743 0 40 GJAB CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1ccccn1 72314181 LOAPRMCMLZSRAS-QGZVFWFLSA-N 389.337 4.708 0 40 GJAB COc1ccccc1-c1ccc(CC2(C(=O)N3CCCCC3)CCOCC2)cc1 72344689 IZNVJPTZADTFEE-UHFFFAOYSA-N 393.527 4.714 0 40 GJAB O=C(Cc1ccccc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349016 SLBAWABEHOUYAN-OAQYLSRUSA-N 388.486 4.760 0 40 GJAB Fc1cccc(-c2nccnc2[C@@H]2CCCN(CCOc3ccccc3)C2)c1 72358888 HFOPKBZKMPQQNG-LJQANCHMSA-N 377.463 4.541 0 40 GJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 72378858 SQFLDTIYBPHCIN-SFHVURJKSA-N 392.478 4.550 0 40 GJAB CSCCc1ccc(NC(=O)N(C)Cc2c(Cl)nc3sccn23)cc1 78975316 PPDNGPMKBBIJDD-UHFFFAOYSA-N 394.953 4.619 0 40 GJAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C 84028866 JTQXDJDCBQEWCE-UHFFFAOYSA-N 393.874 4.665 0 40 GJAB FC(F)(F)c1cnc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c(Cl)c1 89851318 FWJYOSXIEUEJEN-CQSZACIVSA-N 393.800 4.880 0 40 GJAB O=C(NCc1nc2ccccc2s1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 95469936 MQQUVYAUJJNQJV-STQMWFEESA-N 376.403 4.735 0 40 GJAB COc1ccc(CCN[C@H](c2cccnc2)c2cc3ccccc3o2)cc1OC 95996204 USDQWIVWZOKDTG-XMMPIXPASA-N 388.467 4.767 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc23)s1 96052619 KDRXRHBHXVSHLU-IBGZPJMESA-N 396.600 4.992 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 98073048 PZCNGOYKALRYED-UHFFFAOYSA-N 394.212 4.577 0 40 GJAB O=C1S/C(=C/c2ccc3c(c2)CCCO3)C(=O)N1Cc1ccc(Cl)cc1 98086325 UBCMPDRPQVXUQC-WOJGMQOQSA-N 385.872 4.902 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCCC2 102173227 DQLMUSMXKADYPB-IIAWOOMASA-N 375.534 4.957 0 40 GJAB COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc1 102745357 UODLIRVHFIKOSS-XIKOKIGWSA-N 394.456 4.769 0 40 GJAB CC[C@H](C)c1ccc([C@@H](N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 103317871 SAONAGZNCQTZJZ-JKSBSHDWSA-N 395.547 4.613 0 40 GJAB Cc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)[C@@H](C(=O)c3ccccc3)CN2C)cc1 106345958 AOCPPFBBSZTNPG-HJOGWXRNSA-N 383.491 4.980 0 40 GJAB C[C@H](SCc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 107844629 JGGBSIOVEBDQGG-IBGZPJMESA-N 382.573 4.611 0 40 GJAB Cc1c(C(=O)N(c2ccccn2)C2CCCC2)cnn1-c1cccc(Cl)c1 154537792 CLLYFYVSMLHHPC-UHFFFAOYSA-N 380.879 4.819 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 222974384 OAWDGOBUENNMHS-NHCUHLMSSA-N 376.529 4.645 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 223215373 FJWQWBKYUUHIID-QFIPXVFZSA-N 394.559 4.568 0 40 GJAB C[C@H](NC(=S)Nc1ccc(Oc2ccccc2)nn1)c1ccc(Cl)cc1 225189359 DUKUIHCVYPTBRP-ZDUSSCGKSA-N 384.892 4.970 0 40 GJAB CC(C)c1ccc(C(=O)Nc2cc(/C=C/C(=O)O)ccc2Br)cc1 226357192 REAYIGQHIIJUSU-ONNFQVAWSA-N 388.261 4.923 0 40 GJAB CCCCCOc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 408709446 TVZMGKZSCKSTOU-UHFFFAOYSA-N 388.552 4.915 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)Nc1ccccc1C(F)(F)F 585148201 ZIHUVGSRCCUJCS-KRWDZBQOSA-N 390.361 4.821 0 40 GJAB CC(C)c1c(NC(=O)N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cnn1-c1ccccc1 666882381 CQHRCANJEYVIDC-HLAWJBBLSA-N 390.462 4.595 0 40 GJAB O=C(NC[C@@H]1CCCN([C@@H]2CCCc3ccccc32)C1)Nc1cccc(F)c1 1167937018 QEAWQNHTGRGNCO-HTAPYJJXSA-N 381.495 4.737 0 40 GJAB Cc1ccccc1OCc1nn2c(CSCc3ccccc3)nnc2s1 1501039939 NETLKCIPONTLQP-UHFFFAOYSA-N 382.514 4.507 0 40 GJAB Cc1ccc(CC(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)cc1 1615161480 YPROVHFLPFLTHG-KNQAVFIVSA-N 380.507 4.583 0 40 GJAB COc1cccc(C(=O)c2sc(Nc3cccc(C(F)(F)F)c3)nc2N)c1 2199598 GYOYLELCAIDPSX-UHFFFAOYSA-N 393.390 4.727 0 40 GJAB CCCSc1nc(NCCCOC)c2c3c(sc2n1)CO[C@](C)(CC)C3 2388033 NJTSWUXIXIMMJB-LJQANCHMSA-N 395.594 4.883 0 40 GJAB CCC(C)(C)c1ccc(OCCCC(=O)O[C@H](C)C(N)=O)c(C(C)(C)CC)c1 2663309 YDXYHCSBOWCYKF-MRXNPFEDSA-N 391.552 4.638 0 40 GJAB CCOC(=O)[C@H](C)Sc1nc(Cc2ccc(Cl)cc2)nc2ccccc12 3063753 VOALQHGHBVYUOD-ZDUSSCGKSA-N 386.904 4.918 0 40 GJAB O=C1C[C@H](c2cc3c(cc2Br)OCO3)c2c(ccc3ccccc23)N1 3073767 XKMANPNDWVVZJJ-CQSZACIVSA-N 396.240 4.805 0 40 GJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2C(C)C)cc1 3442772 PHUBKEGXGAFOBT-HNNXBMFYSA-N 396.516 4.654 0 40 GJAB Cc1ccc(C(=O)N(CCN(C)C)c2nc3c(Cl)cccc3s2)cc1C 4359315 HCYVJWUPYDQHEF-UHFFFAOYSA-N 387.936 4.775 0 40 GJAB CC(C)C[C@H](NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(=O)O 4665338 ZVPZROOPCVBCES-IBGZPJMESA-N 397.581 4.834 0 40 GJAB biogenic,in-vitro Cc1coc2cc3oc(=O)c(CC(=O)NCc4ccccc4Cl)c(C)c3cc12 4744251 CRWNCQPFJUYOTR-UHFFFAOYSA-N 395.842 4.668 0 40 GJAB CCOc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(F)cc1 5019696 UNCLKENQEDVJAW-GOSISDBHSA-N 393.886 4.725 0 40 GJAB C[C@H]1CN(C(=O)c2ccc(COc3cccc4ccccc34)cc2)C[C@H](C)O1 5127332 NNTUSYMOTQWYOW-ROUUACIJSA-N 375.468 4.668 0 40 GJAB CC(C)(OC(=O)c1cccc(NC(=O)c2ccccc2)c1)C(=O)c1ccccc1 5836647 HZMINDXWPWATRV-UHFFFAOYSA-N 387.435 4.757 0 40 GJAB COc1cc(CNc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 6951529 QOKJCOXIGZAOFJ-UHFFFAOYSA-N 396.874 4.978 0 40 GJAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@H]2CCCc3ccccc32)n1 7624187 WMQPMEDTSAGOEF-FQEVSTJZSA-N 389.524 4.738 0 40 GJAB Cc1ccccc1-c1nc(-c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)cs1 7778239 ULQLEZDCXGUHBK-INIZCTEOSA-N 386.542 4.563 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-c2ccc(F)cc2)s1 8073986 JPNBNZIOOMYBEX-KRWDZBQOSA-N 384.476 4.714 0 40 GJAB COc1ccc(C)cc1Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 8264663 CNRLBHOCYNNVJT-UHFFFAOYSA-N 376.481 4.799 0 40 GJAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O 8556423 GBFKMQOCLVYMHM-IBGZPJMESA-N 375.516 4.784 0 40 GJAB Cc1sc(NC(=O)c2cn3c(C)cccc3n2)nc1-c1ccc(F)c(F)c1 8777655 HVVCMCUTJGQYIR-UHFFFAOYSA-N 384.411 4.605 0 40 GJAB COc1cc(CCC2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc(OC)c1 10407273 CZAJNNYSDHSLCU-UHFFFAOYSA-N 382.504 4.889 0 40 GJAB CC[C@@H](NC(=O)Cn1c(-c2cccs2)n[nH]c1=S)c1ccc(Cl)cc1 10423529 QCJXFMPDVZJEKO-CYBMUJFWSA-N 392.937 4.590 0 40 GJAB CC(C)[C@H](NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 10494342 BJMKBISJLQIDBO-SFHVURJKSA-N 394.302 4.628 0 40 GJAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCCn2ccnc2)c(C(C)C)c1 11613755 WZCRHTUEIKIMQE-UHFFFAOYSA-N 391.581 4.622 0 40 GJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 12543524 FOKWQRYPOMEUNR-UHFFFAOYSA-N 393.318 4.698 0 40 GJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NC12CC3CC(CC(C3)C1)C2 12617165 FMHJOTUSKUDXRM-UHFFFAOYSA-N 386.442 4.637 0 40 GJAB C[C@H]1CN(c2nc(-c3cccnc3)nc3sc(-c4ccccc4)cc23)CCO1 12879919 DOWYSUATFCOSEC-HNNXBMFYSA-N 388.496 4.645 0 40 GJAB COc1ccc(-c2c/c(=N\[C@@H](CC(C)C)C(=O)O)c3cc(C)ccc3o2)cc1 13144888 DCMJHVDYYQLBFE-UNJZAIIMSA-N 379.456 4.817 0 40 GJAB O=C(Nc1nnc(-c2ccco2)s1)c1ccccc1OCc1ccc(F)cc1 14141277 LAIFTNGIGIMNFN-UHFFFAOYSA-N 395.415 4.769 0 40 GJAB Cc1cccc(OCCCNC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 16278328 OOOPTJLTYFMRFD-UHFFFAOYSA-N 394.496 4.508 0 40 GJAB COc1cc(CN(C)Cn2c(=S)oc3ccccc32)ccc1OC(F)F 16354550 AHGPWDDLPSFKMW-UHFFFAOYSA-N 380.416 4.663 0 40 GJAB Cc1cccnc1-n1cccc1CN(CCc1ccccc1)Cc1ccncc1 19237893 DRMJRJSOZONLBD-UHFFFAOYSA-N 382.511 4.821 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 20037948 DPPHGIDRLFKGHL-QGZVFWFLSA-N 382.504 4.602 0 40 GJAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)o2)c1 22896268 CUVOQCPKRKFHIV-UHFFFAOYSA-N 387.414 4.781 0 40 GJAB CCn1c(SCc2csc(-c3ccsc3)n2)nnc1-c1ccncc1 23104407 BPDRGFNQVOYVLL-UHFFFAOYSA-N 385.543 4.837 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2cccs2)o1 23230312 FZSNPSWABMOVGO-UHFFFAOYSA-N 386.820 4.667 0 40 GJAB Cc1noc(C)c1CC(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 24963965 CZKCHFRFHSXCRD-UHFFFAOYSA-N 396.397 4.884 0 40 GJAB Cc1ccc(NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c(Br)c1 27970794 MHFCOJLWZORVEY-UHFFFAOYSA-N 398.304 4.871 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cccc(C)c3C)cs2)cc1 27990413 WCCNUGPQCCYWRF-GOSISDBHSA-N 394.540 4.862 0 40 GJAB COc1ccc(CN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)C2CC2)cc1 31705537 NHZMERUFQYKCJQ-CYBMUJFWSA-N 394.298 4.961 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H](c2cccs2)C2CCCC2)C1 32397243 ATQNRRBJYOPOIL-SJLPKXTDSA-N 392.565 4.743 0 40 GJAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2occc2n1Cc1ccccc1 36356957 FKYKUEMBQICQEY-UHFFFAOYSA-N 376.460 4.929 0 40 GJAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccc3c(c2)C[C@H](C)O3)s1 36740434 FYSAMFPDTHJFEK-KRWDZBQOSA-N 381.545 4.669 0 40 GJAB O=C(Nc1ccccc1OC(F)(F)F)N1CCc2[nH]c3ccccc3c2C1 40104277 KJJJXPQCTMAFDP-UHFFFAOYSA-N 375.350 4.657 0 40 GJAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 40132383 MKQWRAZMPCXGQK-UHFFFAOYSA-N 392.524 4.729 0 40 GJAB O=C(c1ccc(Oc2ccccc2)nc1)N1CCC(c2nc3ccccc3[nH]2)CC1 44467578 MHYDGSVYHSJSOX-UHFFFAOYSA-N 398.466 4.770 0 40 GJAB Cc1cccc(N2CCN([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)c1C 46552154 YUJZVOUMUJFKQI-KRWDZBQOSA-N 396.922 4.890 0 40 GJAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H](C)c1cc2ccccc2o1 47986367 VGKACDJPKSIUSN-CQSZACIVSA-N 377.444 4.516 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2nccs2)C12CCCCC2 72401755 WYBMOSMFQLJCJI-GOSISDBHSA-N 397.544 4.680 0 40 GJAB CO[C@H](C(=O)Nc1ccc(N2CCCCC2)c2ccncc12)c1ccccc1 89407067 KHGSHOVXWGUVSB-QFIPXVFZSA-N 375.472 4.551 0 40 GJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(CSc2ccccn2)CC1 90608034 YUVFKNMYUJTQSC-UHFFFAOYSA-N 380.435 4.745 0 40 GJAB CCc1cnccc1C(=O)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 95453105 BRIPFFSXZLZIJH-UHFFFAOYSA-N 378.516 4.578 0 40 GJAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCCN2Cc2ccccc2)C1 96071320 AJEBRTIJKUNDNG-HSZRJFAPSA-N 382.935 4.540 0 40 GJAB CCc1noc(-c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)n1 96346772 MCOGABKMLIDTAV-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1ccc(Cl)cc1)c1ccccc1 100426652 RVENYJWMGCSIKR-WOJBJXKFSA-N 397.906 4.687 0 40 GJAB CCCS[C@@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C)c(C)c3)nn21 103319884 XNVAROWFPBTHKD-OAQYLSRUSA-N 378.501 4.614 0 40 GJAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 223075543 GDNPPKSGUFFCMI-OAQYLSRUSA-N 394.559 4.570 0 40 GJAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)CSCc1ccc(Cl)cc1F 223295429 OCFIOVQBFJAFNC-IBGZPJMESA-N 393.911 4.915 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCC 223943456 TYJSBLHCZHPKFG-QGZVFWFLSA-N 387.351 4.817 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 225075085 GHMCMSRXKCQBDC-LEWJYISDSA-N 394.559 4.568 0 40 GJAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)c1ccc(Cl)cc1Cl 225245191 UEAWYSDTEVNSBO-CXUHLZMHSA-N 382.316 4.531 0 40 GJAB Cc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C 225532624 PXCLRSBUDMHBBJ-UHFFFAOYSA-N 377.488 4.923 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc(-c3ccccc3C)no2)c1 225796087 IQPINHMIPPNCFA-UHFFFAOYSA-N 393.487 4.514 0 40 GJAB COc1cccc(-c2noc(CCC(=O)Nc3c(Cl)cccc3Cl)n2)c1 225823142 ZAIVZPZEIIVRQP-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB CCOc1ccccc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 225836196 FRBUOVRIBIITAG-UHFFFAOYSA-N 379.460 4.830 0 40 GJAB CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(CC2CC2)CC1 257341600 ZKZYZWPICYITQI-UHFFFAOYSA-N 394.534 4.664 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)c(C)c1 409156050 KDXWMUNZPIDJQK-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ncccc3C)cs2)cc1 585273534 QJKVMHUDACWFAD-HXUWFJFHSA-N 392.528 4.744 0 40 GJAB CC(C)C(CNC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F)C(C)C 1658796296 CQEDRYIAFYYKLX-INIZCTEOSA-N 385.392 4.973 0 40 GJAB CC1=CC[C@@](C(=O)O)(C(=O)NCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 1085990 WQJKFIJPSPUYME-KNQAVFIVSA-N 383.875 4.551 0 40 GJAB NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1 1401091 ZUBVWWQYGHUYKT-QGZVFWFLSA-N 390.295 4.552 0 40 GJAB CCc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 3072864 KACKNZLCDUOYQO-ZDUSSCGKSA-N 377.271 4.547 0 40 GJAB COc1cccc(/C=C/C(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)c1 3236480 OXPCGFOXTZECEV-ZVQQDINOSA-N 397.902 4.859 0 40 GJAB COC(=O)c1cc(Br)ccc1NC(=O)Nc1ccccc1Cl 3327974 RDEIXPHEICNSKE-UHFFFAOYSA-N 383.629 4.533 0 40 GJAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3)C[C@@H]21 4038097 CBDXQNJHOXWFAA-WMZHIEFXSA-N 378.472 4.524 0 40 GJAB biogenic O=C(N1CCN=C1SCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 4120053 AAOOQSXSAMWRCD-UHFFFAOYSA-N 388.964 4.988 0 40 GJAB O=C(Oc1ccc(/C=C/C(=O)N2CCc3ccccc32)cc1)c1ccccc1F 4279748 XWFMUQUXVSJCAO-SDNWHVSQSA-N 387.410 4.647 0 40 GJAB CN(C)CCCN(C(=O)c1ccc2ncsc2c1)c1nc2ccccc2s1 4585334 XTASKGRIDCLGIW-UHFFFAOYSA-N 396.541 4.505 0 40 GJAB CCOC(=O)/C=C/C(=O)n1nc(-c2ccccc2)c2c1[C@@H](C(C)C)CC[C@@H]2C 4671456 GNUMJKTYKPYMCK-NEXPLYTHSA-N 380.488 4.947 0 40 GJAB COc1cc(C)c(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1C(C)C 4700718 HTTWXQJZGAJDJG-UDWIEESQSA-N 378.472 4.528 0 40 GJAB Cc1ccc2nc(-c3ccc(SCC(=O)N[C@H]4CCCC[C@H]4C)nc3)[nH]c2c1 4903435 JARGOQAFTIIGAY-WBVHZDCISA-N 394.544 4.720 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1cccc(Cl)c1 5099347 RJVSSFCLAQFHNT-UHFFFAOYSA-N 380.831 4.778 0 40 GJAB CCc1ccccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 6056860 NVVIKANLUSIFSJ-LBPRGKRZSA-N 396.270 4.505 0 40 GJAB Cc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 6056874 BQELMAHHRNTPEL-CYBMUJFWSA-N 396.270 4.559 0 40 GJAB COc1ccc(OC)c(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c1 6320067 PNZIMFIYEUKJLZ-UHFFFAOYSA-N 385.847 4.832 0 40 GJAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cnn(-c3ccccc3)c2)cc1 7087954 WCSDOEVPVVVRDL-QHCPKHFHSA-N 396.450 4.652 0 40 GJAB CCOc1cc(C(=O)O)cc(Br)c1OCc1ccccc1Cl 7604022 FPBCNKUEYSOIMW-UHFFFAOYSA-N 385.641 4.778 0 40 GJAB O=C(COc1cccc(Cl)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 7890639 LVMWNQVQOQPWPO-AWEZNQCLSA-N 386.904 4.735 0 40 GJAB COc1cccc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)c1 7904753 UQJOSRFSLZRBPJ-UHFFFAOYSA-N 384.530 4.915 0 40 GJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 7989154 KSVDXCKYKDMAIU-CQSZACIVSA-N 375.403 4.775 0 40 GJAB O=C(NCCCCOc1ccc(Cl)cc1)c1ccccc1Br 8118124 NGVMXCFCYCYFFR-UHFFFAOYSA-N 382.685 4.692 0 40 GJAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)c3ccc(F)cc3)n12 8614970 FNMZQGUXUAGSPZ-UHFFFAOYSA-N 379.460 4.922 0 40 GJAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 10972168 JJHNSPLFHURTCP-UHFFFAOYSA-N 396.531 4.613 0 40 GJAB Cc1cc(/C=C/C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c(C)n1Cc1ccco1 12559502 BYJTYKVRSNUQOV-SIFUEBAJSA-N 388.471 4.513 0 40 GJAB COc1cc(OC)cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 12891767 UDNOMWSNCLHOAK-IBGZPJMESA-N 385.510 4.615 0 40 GJAB COc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 12995714 SDMDUHLVLQVASP-UHFFFAOYSA-N 386.904 4.978 0 40 GJAB COc1ccc2nc(Cl)c(CNCc3ccco3)c(N3CCCCC3)c2c1 13566219 JZMDZMKLBVQZKW-UHFFFAOYSA-N 385.895 4.770 0 40 GJAB COc1ccc(CN(Cc2ccncc2)Cc2ccc3ncccc3c2)cc1OC 13989947 RRCGUYIMRMTCTB-UHFFFAOYSA-N 399.494 4.849 0 40 GJAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2cc(C)ccc2C)cs1)c1cccs1 14047933 GFVCTSQMJHYFRW-INIZCTEOSA-N 399.541 4.694 0 40 GJAB CCc1cc(C(=O)OC)c(NC(=S)Nc2cc(C(C)(C)C)ccc2O)s1 17080261 XORYBHDRJSCJQK-UHFFFAOYSA-N 392.546 4.909 0 40 GJAB CCOc1cc2c(cc1NC(=O)COc1c(Cl)cccc1Cl)O[C@H](C)C2 18238427 CKTSCRKRAYOOJA-LLVKDONJSA-N 396.270 4.733 0 40 GJAB COc1cccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)nc3onc(C)c23)c1 19714756 CHNSUURSKGVIFN-IBGZPJMESA-N 379.460 4.641 0 40 GJAB CCOc1ccccc1CNC(=O)CSCc1c(Cl)cccc1Cl 20460074 WXLQWWJIBFDNIW-UHFFFAOYSA-N 384.328 4.942 0 40 GJAB Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(C(C)C)cc4)c3)nn12 20609577 PDIZFJXBWDARFX-UHFFFAOYSA-N 377.473 4.537 0 40 GJAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2cccc(Cl)c2)C4)cc1 20796302 YGIJEFQMXCLELO-INIZCTEOSA-N 388.858 4.666 0 40 GJAB Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)no2)cc1 21800508 OMXZOGXBWZBDBI-CQSZACIVSA-N 385.851 4.721 0 40 GJAB COc1ccc(-c2nc3c4c(C)c(C)n(C5CCCCC5)c4ncn3n2)cc1 21801891 RQJVBFXJRVPFBE-UHFFFAOYSA-N 375.476 4.877 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 21894883 CEVQLEWWUPEYEB-LJQANCHMSA-N 396.494 4.685 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 24221133 ZWHQHPWLFIWEEE-GJZGRUSLSA-N 380.469 4.938 0 40 GJAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1coc(-c2ccc(F)cc2)n1 24438869 KGJAGVRJJDZGMA-UHFFFAOYSA-N 390.201 4.546 0 40 GJAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1 31266273 BUGCIINILFZYFG-FQEVSTJZSA-N 389.480 4.986 0 40 GJAB CC(=O)c1ccc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cc1 32800954 UDJOTWCEKPHZIN-UHFFFAOYSA-N 385.261 4.623 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)c1ccccc1OCCOc1ccccc1 32958341 XRNJRXCYSPAXMU-QHCPKHFHSA-N 387.479 4.952 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820770 DXOCDBGWDZAYRQ-QCXZXCEPSA-N 390.564 4.686 0 40 GJAB in-vitro CCN(Cc1cccc(F)c1)C(=O)c1ccccc1OCc1c(C)noc1C 36723004 OHQAVIMOZBDLBU-UHFFFAOYSA-N 382.435 4.672 0 40 GJAB O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCC(Cc2ccccc2)CC1 39766796 ZPQRWJITPGWSMB-UHFFFAOYSA-N 394.534 4.519 0 40 GJAB OC1(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)CCCCC1 40158422 RKDGQPJPUBEVJR-UHFFFAOYSA-N 379.529 4.645 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2)c(Cl)c1 44905144 WNFBPOLVRJXNQS-UHFFFAOYSA-N 375.852 4.623 0 40 GJAB O=C(c1ccccc1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 44915816 ZWNOMNFMPNEACR-UHFFFAOYSA-N 398.506 4.768 0 40 GJAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc(OC(F)(F)F)cc1 45527369 OVAIGWLVWVGQAX-UHFFFAOYSA-N 389.160 4.650 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 57412609 YKBGBQINBLHOEC-UHFFFAOYSA-N 376.641 4.745 0 40 GJAB O=S(=O)(Cc1ccc(F)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1 58067530 VOJDPDWCZGLGRO-UHFFFAOYSA-N 376.399 4.808 0 40 GJAB COc1ccc(N(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)[C@H](C)C2CC2)cc1 58158909 RDRNTNYQTKTJSR-HXOBKFHXSA-N 395.499 4.698 0 40 GJAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 58518323 BWQZOOPAJWZDFP-KRWDZBQOSA-N 387.270 4.551 0 40 GJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)c1C 59176086 YXYWEIZYUDOMKB-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB Cc1cccc(C[C@@H](C)CC(=O)Nc2ccc(I)cc2)c1 71405973 LVSPGULOOACMJT-CQSZACIVSA-N 393.268 4.807 0 40 GJAB O=C(COc1ccccc1F)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72230070 JDYQFMDNXCOMES-OAQYLSRUSA-N 385.822 4.578 0 40 GJAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)cc1Cl 89929736 SBHSZCFQSJWHBB-XOKHGSTOSA-N 386.879 4.690 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 95482355 BXXIUAFUTJHFQS-QGZVFWFLSA-N 399.878 4.514 0 40 GJAB O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1cccs1)CC2 96052525 YGEFNSPGWMWVAK-UHFFFAOYSA-N 388.536 4.829 0 40 GJAB Cc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cccc(Cl)c2Cl)C3)nc1 100149316 YTZBYXFPBQIQNM-IAGOWNOFSA-N 391.342 4.817 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](CC)C2 169683210 JZDDWFWBEDLKSG-HLPPOEQASA-N 375.534 4.814 0 40 GJAB O=C(NCc1ccc([C@H](O)c2ccsc2)s1)c1ccc(C(F)(F)F)cc1 207966076 DTXXMAIXMGAWSQ-MRXNPFEDSA-N 397.443 4.840 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1nccs1 222591510 PNMUDKSBEINCEP-VHSSKADRSA-N 395.557 4.535 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc2ccccc2c1 222802913 PQUVPFZILYOVSW-CQSZACIVSA-N 384.273 4.686 0 40 GJAB COc1ncccc1NC(=S)NCC1(c2cccc(Cl)c2)CCCC1 223987461 IMUXIHKXPLYHGF-UHFFFAOYSA-N 375.925 4.542 0 40 GJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1C 224459676 KFEABFZXUYMSQY-MOPGFXCFSA-N 382.920 4.559 0 40 GJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 224557525 CIAKXHFQTIXJAD-QHCPKHFHSA-N 394.559 4.507 0 40 GJAB Cc1ccc([C@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc2)cc1 224613974 WMIHZXUIGKUCAQ-XMMPIXPASA-N 385.507 4.949 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCC(C)C)s1 224667976 XBFOVBKSOGWIJK-GFCCVEGCSA-N 385.942 4.736 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1CN1CCCCC1 224837626 WVGPCQJXKCGUHU-HSZRJFAPSA-N 394.559 4.763 0 40 GJAB CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225056303 LNTUZDHPBQJUCO-UHFFFAOYSA-N 375.877 4.717 0 40 GJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=S)Nc1ccc(Cl)cc1 225466218 STQNIWVUCVIEQD-UHFFFAOYSA-N 393.299 4.872 0 40 GJAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(Br)c(C)c1 225581690 KYYRESDMIFGMHX-MRXNPFEDSA-N 398.414 4.699 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1c(F)cccc1F)CC(C)(C)O2 225682989 NSUREOYHPBNZRQ-OAHLLOKOSA-N 378.444 4.562 0 40 GJAB C[C@@H](NC(=O)CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)cc1 225809913 UXYUOSFWWNFHRL-GFCCVEGCSA-N 390.270 4.853 0 40 GJAB CCN(C(=O)C(F)(F)F)c1cc(C)ccc1-c1cc2ccccc2oc1=O 226358212 RXPBAVKHVIMOSC-UHFFFAOYSA-N 375.346 4.684 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C 253617369 WHQYZHCEDYYAAN-ATRNEWERSA-N 388.548 4.894 0 40 GJAB Cc1cccnc1Nc1cncc([C@H]2CCCN2C(=O)CC2CCCCC2)n1 257237158 HFJDQODLUDJNNF-LJQANCHMSA-N 379.508 4.558 0 40 GJAB CCCCOC(=O)[C@H]1[C@@H](C(=O)O)[C@H](c2ccccc2)C=C[C@H]1c1ccccc1 408731861 NNJGESMIHPDOFF-MYGLTJDJSA-N 378.468 4.784 0 40 GJAB COc1c(Cl)cc(Br)cc1/C=C1\SC(=O)N(C(C)C)C1=O 409060316 PSFTYAIOBGRHRW-WZUFQYTHSA-N 390.686 4.556 0 40 GJAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 409181990 HKDFHWKGBHFJFL-UHFFFAOYSA-N 391.423 4.678 0 40 GJAB Cc1nn(CCNC(=O)c2ccccc2C(F)(F)F)c(C)c1-c1ccsc1 575613077 UNLLENDXJHRZJB-UHFFFAOYSA-N 393.434 4.677 0 40 GJAB CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)c1cccnc1 1061251 IVQZIVOQUJFEIT-UHFFFAOYSA-N 396.468 4.638 0 40 GJAB Cc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccc(Cl)cc3)s2)cc1 1378960 HIMVYYVDVCXAGV-UHFFFAOYSA-N 385.876 4.918 0 40 GJAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1-c1ccccc1 2394438 PNQBEZYWHIDLNB-UHFFFAOYSA-N 394.434 4.513 0 40 GJAB CCn1c(S[C@H](C)C(=O)NCCC2=CCCCC2)nnc1-c1cccs1 3391680 QYXBZSQNLAINDB-CQSZACIVSA-N 390.578 4.514 0 40 GJAB Brc1ccc2c(c1)C(c1ccccc1)=NNC(c1cccs1)=N2 4130116 UYVCNICOIGYETM-UHFFFAOYSA-N 382.286 4.945 0 40 GJAB O=C(CSc1nc2ccccc2o1)Nc1ncc(Cc2ccc(F)cc2)s1 4536102 UAYVMPOCOQMYRE-UHFFFAOYSA-N 399.472 4.745 0 40 GJAB CC1CCN(C(=O)C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1 4700568 CIDYWHRONCWADS-UHFFFAOYSA-N 392.543 4.949 0 40 GJAB CCn1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c(=O)c2ccc(C)nc21 4861397 BMASDOFNUZYKMK-UHFFFAOYSA-N 397.434 4.877 0 40 GJAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1 5047044 VXIYSDJGXPDMGZ-UHFFFAOYSA-N 386.407 4.506 0 40 GJAB CC(=O)N(c1nc(COC(=O)c2ccc(O)cc2)cs1)c1ccc(C)cc1C 5693768 NTGWELFLBJDCJK-UHFFFAOYSA-N 396.468 4.507 0 40 GJAB COc1ccc(Cc2nnc(SCc3ccc(Br)cc3)o2)cc1 5788717 HDWPHFCTGHJGEY-UHFFFAOYSA-N 391.290 4.724 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)cc1OC 5930542 AHUODCSZJWHORJ-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB CCCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@@H](C)CCC)cc1 5965699 MGMDGDIJTYZASL-SCLBCKFNSA-N 389.521 4.751 0 40 GJAB COc1ccccc1-[n+]1cc(-c2ccc(OC(F)F)cc2)n2c1CCCCC2 6007485 OAVDGXPOEAXJQW-UHFFFAOYSA-N 385.434 4.768 0 40 GJAB Clc1cc2c(c(CSc3nnc(C4CC4)n3-c3ccccc3)c1)OCOC2 6128677 UZKGCJASVSTHRL-UHFFFAOYSA-N 399.903 4.957 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OC 6354948 NDVTYQPBQXDFNQ-XDHOZWIPSA-N 383.469 4.639 0 40 GJAB CC(C)(CO)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 6883122 KVDHQHFJAXMYNF-UHFFFAOYSA-N 398.728 4.542 0 40 GJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccc(Cl)cc2)o1 7444550 LJCIYBYYECBTKJ-UHFFFAOYSA-N 394.862 4.985 0 40 GJAB Cc1nnc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1C1CC1 7617628 LFXDZAGTFKBBAH-GOSISDBHSA-N 382.464 4.533 0 40 GJAB CCN(CC)Cc1ccccc1CNC(=O)C(c1ccccc1)c1ccccc1 7945730 POZVSAAURWSOET-UHFFFAOYSA-N 386.539 4.977 0 40 GJAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1ccccc1Cl 9198049 IMWSQFZHYZWIHB-UHFFFAOYSA-N 379.272 4.509 0 40 GJAB COc1ccc2cc(CNC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)ccc2c1 9940628 ANHPGFVATCGMEB-AWEZNQCLSA-N 396.468 4.554 0 40 GJAB O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 9986088 OFXLZGGRUJGTKA-MDZDMXLPSA-N 387.401 4.840 0 40 GJAB COc1ccc(CN(C)C(=O)CSc2ccc3ccccc3c2)c(OC)c1 10024227 BAYPDLBJFBNKJT-UHFFFAOYSA-N 381.497 4.608 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1OC 10577291 QDUHOOWXIBRCGC-UHFFFAOYSA-N 397.500 4.556 0 40 GJAB O=C(Nc1cc2c(s1)CCC2)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 11690616 WWELNAXIAXSHNO-LJQANCHMSA-N 389.476 4.943 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 12882177 JSHQPQIENQIACS-IRXDYDNUSA-N 380.513 4.778 0 40 GJAB O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(F)cc1Br 14171693 FFNJKJPGIDXUGW-UHFFFAOYSA-N 392.146 4.782 0 40 GJAB COc1cc([C@@H]2CC(C)=Nc3c(-c4ccccc4)c(C)nn32)cc(OC)c1OC 14607106 QZWOEHFBSJEYTF-SFHVURJKSA-N 391.471 4.970 0 40 GJAB Cc1ccc(-c2nc(CNC(=O)c3ccc(Br)cc3)cs2)cc1 15832477 ITIHBBFBHISPKL-UHFFFAOYSA-N 387.302 4.811 0 40 GJAB Cc1ccc(-n2c3c(c(SCc4ccccc4Cl)nc2=O)CCC3)cc1 15840425 CTOKMTRSTNVISF-UHFFFAOYSA-N 382.916 4.975 0 40 GJAB O=S(=O)(Oc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1Cl 16089146 JCMTYIQVLXLMAL-UHFFFAOYSA-N 387.766 4.675 0 40 GJAB Cc1cc(-c2nnc(SCc3ccc(F)cc3)n2C[C@@H]2CCCO2)cs1 17079524 NSKNIUGPAGGFPY-KRWDZBQOSA-N 389.521 4.925 0 40 GJAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3[C@@H](C)c3ccncc3)cc2n1 19522324 SCNVTXUZJBSCEH-SUMWQHHRSA-N 389.425 4.604 0 40 GJAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccncc3)no2)cc1OC 19561524 LROCDYRHQJVZLH-FQEVSTJZSA-N 393.487 4.871 0 40 GJAB COc1ccc(-c2csc3nc(CNc4ccccc4C)[nH]c(=O)c23)cc1 19926593 WDWBOFUUSPVDME-UHFFFAOYSA-N 377.469 4.581 0 40 GJAB O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20731956 DSIRTLPUSOKJOP-QFIPXVFZSA-N 394.559 4.930 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 21894880 CEVQLEWWUPEYEB-IBGZPJMESA-N 396.494 4.685 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 22245921 AGXXRHNUJFSLAI-UHFFFAOYSA-N 399.447 4.763 0 40 GJAB COc1cc(C(=O)N[C@@H]2CCOc3ccccc32)cc(Cl)c1OCC(C)C 24647396 FWBQNJRMTGLKCJ-QGZVFWFLSA-N 389.879 4.637 0 40 GJAB CN(Cc1ccco1)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1 29624517 JWJWLKNQTAIDKG-UHFFFAOYSA-N 398.256 4.545 0 40 GJAB CCn1c(NC(=O)c2sc(Cc3ccccc3)nc2C)nc2ccccc21 30683011 PSFGXTOELABYNQ-UHFFFAOYSA-N 376.485 4.664 0 40 GJAB O[C@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc2ccccc2o1 33434055 SWRIVBZGYURLCG-FQEVSTJZSA-N 397.356 4.846 0 40 GJAB Cn1nc(C(C)(C)C)c2c1-c1ccc(NC(=S)NC3CCCCC3)cc1C2=O 33808221 NJIHPWLRXGCODW-UHFFFAOYSA-N 396.560 4.548 0 40 GJAB Cc1cc(C(=O)Nc2cc(F)ccc2F)c2c(C)nn(Cc3ccccc3)c2n1 36615799 HNHYCRJOZQHDAC-UHFFFAOYSA-N 392.409 4.627 0 40 GJAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl 38850215 PNXDMOYJAYAPKE-OAHLLOKOSA-N 393.314 4.853 0 40 GJAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(F)c4)ccc32)cc1 46078555 IWGXMHOUOGQABF-UHFFFAOYSA-N 388.442 4.979 0 40 GJAB Cc1ccc(-n2nc(C)c(NC(=O)CN[C@@H](C)c3ccc(Cl)cc3)c2C)cc1 57484075 TVSBJZNJBPIJIT-HNNXBMFYSA-N 396.922 4.740 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1CSc1nnc(C(C)(C)C)o1 84014165 PRDBBXGWABKFRM-UHFFFAOYSA-N 376.913 4.866 0 40 GJAB O=C(O)C[C@H](CC(=O)N(Cc1ccsc1)Cc1ccco1)c1cccs1 90607332 LZMDVBVWSGBPPG-HNNXBMFYSA-N 389.498 4.580 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)Nc2cc(Cl)c(Cl)cn2)no1 95962659 BJUJUJNMFVIFNO-UHFFFAOYSA-N 395.271 4.624 0 40 GJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 96053025 CYXJDTYMBNHJDS-LJQANCHMSA-N 380.532 4.559 0 40 GJAB Cc1sc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccc(C(C)C)cc1 102043566 HWHYSSATNZEECJ-FJIDUMEYSA-N 398.528 4.927 0 40 GJAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)[C@@H]1C[C@H]2C=C[C@H]1C2 102294024 NSXGFNLQIVMUMK-SGMGOOAPSA-N 377.922 4.635 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccccc2)C[C@@H](c2ccc(F)cc2)C1 102839363 OHVVHIFIVBDWOB-AUUYWEPGSA-N 376.391 4.838 0 40 GJAB COc1ccc([C@@H]2CCCCN(C(=O)c3sc(-n4cccc4)nc3C)C2)cc1 206882538 YWIZBSDXZWAYCA-GOSISDBHSA-N 395.528 4.661 0 40 GJAB Cc1nc(-c2ccccc2NC(=O)c2cc(-c3ccc(F)cc3)nn2C)cs1 208009689 YMLRQGDZPBWEBE-UHFFFAOYSA-N 392.459 4.910 0 40 GJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3Br)N21 222643895 NSAOKROHPKZKOQ-JCURWCKSSA-N 388.334 4.824 0 40 GJAB Cc1cc(C)cc(OCCNC(=O)CSCc2c(F)cccc2Cl)c1 224056551 BISXFLHEAYPQAV-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB COc1cccc(NC(=O)c2ccc(OC)c(COc3cccc(OC)c3)c2)c1 224254673 JFRWQOSHUKPSRH-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)COc3cc(C)ccc3C(C)C)s2)cc1 224270799 NGORZRIMFCWTKB-UHFFFAOYSA-N 381.501 4.963 0 40 GJAB C[C@H](NC(=S)Nc1nc(Cl)cc(N2CCCCCC2)n1)c1ccccc1 225964160 ZPWVIFJYTDOOLK-AWEZNQCLSA-N 389.956 4.558 0 40 GJAB CCC[C@H]1O[C@H]2c3cccc(OCC)c3OC(C)(C)[C@@H]2C[C@@H]1C(=O)OCC 257202848 ANRNEFANQYIABJ-FAJBIJEISA-N 376.493 4.682 0 40 GJAB CC(C)Oc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Br 409022378 MFDHWEPOSPUIBO-RIYZIHGNSA-N 384.295 4.681 0 40 GJAB CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N1CCC(N2CCCCC2=O)CC1 585081816 HMPMHYILFRDCMA-WLBKGHODSA-N 388.596 4.623 0 40 GJAB Cc1cc(Oc2ccc(CN[C@@H](C)[C@H](O)C(F)(F)F)c(Cl)c2)ccc1F 1560555204 FEOXVONWCJLXSA-GTNSWQLSSA-N 391.792 4.981 0 40 GJAB CC(C)C(=O)N1CCCCCCCNCc2cc(Nc3ccccn3)ccc21 2037931557 KDJPTFPTUDLRSB-UHFFFAOYSA-N 380.536 4.868 0 40 GJAB Brc1ccc2c(c1)[C@H]1Oc3ccc(Br)cc3[C@H](O2)O1 1003682 WFDANGIGTVZSIQ-OKILXGFUSA-N 384.023 4.710 0 40 GJAB COc1ccc(CCNC(=N)[C@@H](Cc2ccccc2)c2ccccc2)cc1OC 1244326 SKZDQQXWTZOKQN-QFIPXVFZSA-N 388.511 4.840 0 40 GJAB CCCCc1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1CCC2 2416904 XBIYOQFSMSZJRS-ZDUSSCGKSA-N 382.533 4.662 0 40 GJAB CCOc1ccc(NC(=O)C[C@@H]2Nc3cccc4cccc(c34)N=C2O)cc1 2889871 UFVAJRKNCQXGGR-IBGZPJMESA-N 375.428 4.649 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc(C)oc1C)c1ccccc1 3393887 ARFQPWBTZDLRGW-OAQYLSRUSA-N 393.439 4.832 0 40 GJAB CC(=O)c1ccc(OC(=O)COc2ccc(Oc3ccc(C)cc3)cc2)cc1 4071679 XROLZADPXJVMSO-UHFFFAOYSA-N 376.408 4.974 0 40 GJAB COc1cc([C@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1OCc1ccccc1 4502003 YKVVHVJMBIWFQY-FQEVSTJZSA-N 394.496 4.807 0 40 GJAB O=C1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)c3cccc1c23 4671151 BMVWMFIROPNCLC-UHFFFAOYSA-N 393.251 4.513 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 4689072 MVAMHNFLTCLBSF-UHFFFAOYSA-N 383.488 4.959 0 40 GJAB O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1c(F)cccc1F 5137290 LOUFXIMGTJXICP-UHFFFAOYSA-N 378.831 4.714 0 40 GJAB S=c1[nH]c(=S)c2cnc(N(Cc3ccccc3)Cc3ccccc3)nc2[nH]1 5450600 DHWFUMSAWGZZIM-UHFFFAOYSA-N 391.525 4.952 0 40 GJAB CC(=O)c1sc(NC(=O)COc2ccccc2Cl)nc1-c1ccccc1 6235378 DFCMXIPZQOWXAJ-UHFFFAOYSA-N 386.860 4.684 0 40 GJAB CC(C)[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)OCCCO2 6789999 HAEFIGLLOOPCLO-OAQYLSRUSA-N 391.870 4.696 0 40 GJAB CC(C)N(C(=O)CN(c1ccccc1)c1n[nH]c(=S)s1)c1ccccc1 6858922 FIGBIXROOBQGTO-UHFFFAOYSA-N 384.530 4.780 0 40 GJAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccccc1C(=O)Nc1ccccc1 7126423 VQYZBPKXWKMTTN-UHFFFAOYSA-N 398.821 4.749 0 40 GJAB CCCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)O)[nH]1 7342352 DEZRPOJIUDOZAW-PDGQHHTCSA-N 396.516 4.691 0 40 GJAB CCOc1cc(/C=C/C(=O)Nc2ccc(Br)cc2)ccc1OC 7609504 ZJGBWBVCIQJBCI-VZUCSPMQSA-N 376.250 4.508 0 40 GJAB Cc1cc(CSc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)no1 7818965 BXVHMAWNEDQBSU-UHFFFAOYSA-N 377.469 4.591 0 40 GJAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(Cc1cccnc1)C3=O 8664903 KIKUYHKLZUIQGB-NRFANRHFSA-N 396.446 4.550 0 40 GJAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1cccs1)C3 9225394 QXEPKZVVORBLIF-CQSZACIVSA-N 377.444 4.818 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 9376924 YHMKCBDMHLARDL-PWRODBHTSA-N 396.531 4.888 0 40 GJAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3cccs3)ccc2o1 9660069 ZDPUHJQTYDXISB-UHFFFAOYSA-N 377.421 4.782 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 10260875 XXZHVZOIAZALDA-INIZCTEOSA-N 375.259 4.638 0 40 GJAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccco4)=NN32)cc1 12196953 WKYZGWHPELJVNR-XMSQKQJNSA-N 376.412 4.539 0 40 GJAB CC[C@H](Oc1ccccc1)c1nn2c(-c3ccc4ccccc4n3)nnc2s1 12390375 PWNGANWRGQUGHZ-SFHVURJKSA-N 387.468 4.931 0 40 GJAB CCN(CC)C(=O)c1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1 12534452 SRVQVRDIPYFQMM-UHFFFAOYSA-N 388.393 4.874 0 40 GJAB Cc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1 13581580 UJDVYEQNWKHJPF-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cc1nc2cc(NC(=O)CCc3c(C)nc4c(cnn4C(C)C)c3C)ccc2o1 14251663 DYRVTCYQVCWVND-UHFFFAOYSA-N 391.475 4.650 0 40 GJAB COc1ccc(-c2nc3cc(N(C(=O)C(C)C)C(=O)C(C)C)ccc3o2)cc1 16323431 XFWGMWDNRVFXDC-UHFFFAOYSA-N 380.444 4.675 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)Cc3ccccc3)cc12 17334174 UDPKULYODXSKNW-UHFFFAOYSA-N 379.460 4.807 0 40 GJAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1cccc(Br)c1 20739782 GIUGLSUDEDEYTI-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 21346621 SQLFRRAYTMNMLL-MSOLQXFVSA-N 388.467 4.584 0 40 GJAB Cc1ccc(CNc2c(S(=O)(=O)c3ccccc3)cnc3ccccc23)cc1 22574436 XJAUIXQTQGEDMT-UHFFFAOYSA-N 388.492 4.988 0 40 GJAB CCCC[C@H](CC)c1nnc(NS(=O)(=O)c2cccc3cccnc23)s1 27924896 YHTZAFUYSPGYPJ-ZDUSSCGKSA-N 390.534 4.571 0 40 GJAB C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1c(F)cccc1F 28368263 QKQARVHOHVWEOE-CYBMUJFWSA-N 388.414 4.836 0 40 GJAB O=C1c2ccccc2[C@@](O)(c2ccccc2)N1Cc1csc(-c2ccccc2)n1 32938015 HEEITGNYCRHQOK-DEOSSOPVSA-N 398.487 4.660 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)c(Cl)c1 44885506 VMGRKRDTQXZOBP-SFHVURJKSA-N 375.852 4.621 0 40 GJAB COc1cc(C)ccc1NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 48286001 FLPISDMMBCNTDY-UHFFFAOYSA-N 375.472 4.711 0 40 GJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)NC2CC2)cc1 71844364 WBFUKWNJOYOPRT-YADHBBJMSA-N 391.515 4.769 0 40 GJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nc(N2CCCC2)ncc1Cl 72277159 ANACECSEBDFWQV-MJGOQNOKSA-N 398.938 4.529 0 40 GJAB Cc1nc2c(C)cccn2c1CN1CCC[C@@H]1c1cccc(Nc2ccccn2)n1 72375783 FTHPUQPFDLMZEB-HXUWFJFHSA-N 398.514 4.822 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1cc(Cl)cn1C 79097694 DNUHFTIOOHAXSV-UHFFFAOYSA-N 396.249 4.707 0 40 GJAB O=C(/C=C/c1ccc(-c2ccccc2F)o1)Nc1nnc(C(F)(F)F)s1 84514494 JEYIKFHGRNWITF-SOFGYWHQSA-N 383.326 4.608 0 40 GJAB COc1ccc2oc(C)c(C(=O)Nc3cc(Cl)ccc3-n3cccn3)c2c1 95351298 OATAYQOVLFETDN-UHFFFAOYSA-N 381.819 4.841 0 40 GJAB O=C1C[C@@H](c2ccsc2)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96114197 XPNPKQSCYZUYBU-AWEZNQCLSA-N 390.416 4.668 0 40 GJAB biogenic CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)c2C(N)=O)C1 102624442 NEEWECOJLDTDDK-TTZDDIAXSA-N 388.577 4.763 0 40 GJAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccccc4C)C3=C(O)C2)cc1 102666630 NFUFBAQBJIGINC-OPAMFIHVSA-N 386.455 4.660 0 40 GJAB COCCOc1ccc(N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1F 123586809 DYAYFVOEICVKJO-GFCCVEGCSA-N 391.830 4.727 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)COc1cccc3ccccc13)CC(C)(C)O2 218915048 QUKLUIWUTOUIRS-FQEVSTJZSA-N 391.467 4.646 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cccc2ccccc12 223557008 HKQICLGHBYIDAK-FQEVSTJZSA-N 383.875 4.846 0 40 GJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCOc1ccc2ccccc2c1 223621662 RRXFWOJYNRWVCY-SFHVURJKSA-N 377.484 4.926 0 40 GJAB COc1ccc(Nc2ncncc2-c2nc(-c3ccsc3)no2)cc1Cl 225579535 OVRPQCRTLCGGRA-UHFFFAOYSA-N 385.836 4.661 0 40 GJAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cn1 225876071 CAKUGEYZRBNZHC-UHFFFAOYSA-N 388.895 4.601 0 40 GJAB O=C(O)c1cccc(CN2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)c1 257232204 GJUWVMLBECMGTP-OAQYLSRUSA-N 394.446 4.830 0 40 GJAB COc1ccc(CNC(=S)c2cccc(OCc3ccc(F)cc3)c2)cc1 408576044 PKMQMUPSIVKJDI-UHFFFAOYSA-N 381.472 4.879 0 40 GJAB O=C(NC(=S)Nc1ccccc1S)c1ccc(OCc2ccccc2)cc1 408621599 MZMGBCPHIAQDMR-UHFFFAOYSA-N 394.521 4.681 0 40 GJAB C[C@@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2ccncc2)cc1 539069818 ZQPJDICUCAMSGP-IERDGZPVSA-N 391.902 4.858 0 40 GJAB COCc1ncc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)s1 563909853 DBYSBSXYFJLOHU-UHFFFAOYSA-N 391.452 4.864 0 40 GJAB O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H](c1cccs1)C1CCOCC1 1565523403 MZGZUFCROVKPHU-GOSISDBHSA-N 383.435 4.594 0 40 GJAB CC(C)c1ccc(S(=O)(=O)N(C)[C@H](C)c2ccccc2Br)cc1 1662999279 SCYAIJKIHOFFNY-CQSZACIVSA-N 396.350 4.954 0 40 GJAB Cc1cc(C)c2cc(C)c3nnc(SCC(=O)Nc4ccccc4)n3c2c1 877206 IBDNZHWCIXHLMJ-UHFFFAOYSA-N 376.485 4.539 0 40 GJAB CCC(=O)Oc1ccc([C@H]2CC(=O)c3c(ccc4ccccc34)N2)cc1OC 1073261 AGYKHIAIMCVHHP-GOSISDBHSA-N 375.424 4.903 0 40 GJAB Clc1nc(Cl)c2c(n1)nc(N1CCCCCC1)n2Cc1ccccc1 2344545 SBIVRMOMXKVQGA-UHFFFAOYSA-N 376.291 4.562 0 40 GJAB CCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(F)cc1 2706376 OEJCAUXJGDMIBR-UHFFFAOYSA-N 389.525 4.608 0 40 GJAB O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1Cl 3510409 ZSIOCFHWTITSCT-UHFFFAOYSA-N 375.049 4.773 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]c2=O)c1 4320291 JGBCFFVQBDCZAA-UHFFFAOYSA-N 389.842 4.804 0 40 GJAB O=C(O)c1cccc(NCn2nc(-c3ccc(Cl)cc3Cl)oc2=S)c1 4357893 HDTYPMZSXCFBTD-UHFFFAOYSA-N 396.255 4.947 0 40 GJAB CCc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)cc1 4518148 ONADFINWSTULRU-UHFFFAOYSA-N 389.503 4.806 0 40 GJAB CCCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccoc1C 4860817 OOKNQFXEYRRVDK-UHFFFAOYSA-N 390.896 4.641 0 40 GJAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 4910855 NVKMYWAWBKWNPA-SFHVURJKSA-N 391.515 4.538 0 40 GJAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(C)CC1 4968277 ZKPSGLKOQQXDIO-QGZVFWFLSA-N 395.473 4.658 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cc(Cl)ccc2O)[nH]n1 5343358 PNTTXEILJMRAHG-UHFFFAOYSA-N 381.741 4.707 0 40 GJAB CCCn1nc(NC(=O)c2ccccc2OCC)c2cc3cc(C)ccc3nc21 5499392 VOPUGBRGEJAWAV-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB O=S(=O)(Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1 5945017 SFMINRHVXKOAJY-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB CCOc1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)cc1OCC 6249838 CZCWHOAPRNYMHC-UHFFFAOYSA-N 382.382 4.553 0 40 GJAB COCCn1c(C)cc(C(=O)CSc2nc(C)c(C)n2C2CCCC2)c1C 7140134 NGXUEOQUSPLZFN-UHFFFAOYSA-N 389.565 4.655 0 40 GJAB CCC(=O)Nc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)cc1 7844881 JKIIBLNMVFCFBV-UHFFFAOYSA-N 379.485 4.648 0 40 GJAB COc1cc(C(=O)Nc2ccc(N3CCCC3)c(C)c2)ccc1OCC(C)C 8193973 GQLHSAGVMYAJBR-UHFFFAOYSA-N 382.504 4.891 0 40 GJAB CC(C)n1ncc2c(C(=O)N3CCc4ccccc4C3)cc(-c3ccccc3)nc21 8338376 NBDINHLRRCBLPR-UHFFFAOYSA-N 396.494 4.878 0 40 GJAB COc1ccccc1CNC(=O)Cc1csc(SCc2ccc(C)cc2)n1 8936282 YATJGEXRQMGYBV-UHFFFAOYSA-N 398.553 4.611 0 40 GJAB CN(C)CCCN(C(=O)/C=C/c1ccccc1)c1nc2ccc(Cl)cc2s1 10067684 GFONEJKYLZQVSO-FMIVXFBMSA-N 399.947 4.948 0 40 GJAB COc1ccc(SCCC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1 10219624 QOKMOMZCUUHDCF-UHFFFAOYSA-N 389.864 4.520 0 40 GJAB CCOC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1 10899807 LRNUBHKVDXHGJL-UHFFFAOYSA-N 395.503 4.518 0 40 GJAB COc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccc(Cl)cc1 11957562 BTKOGGIMZAWYPD-QPJJXVBHSA-N 397.652 4.788 0 40 GJAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 12543097 UUWDPHRQLIOEIQ-MRXNPFEDSA-N 395.528 4.554 0 40 GJAB Cc1ccc(C)c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1 12762872 BFZYYVQJANPNGZ-HSZRJFAPSA-N 376.525 4.951 0 40 GJAB CN(C)[C@@H](CNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccco1 12778519 WKMOXYHHOUOIPH-IBGZPJMESA-N 391.496 4.589 0 40 GJAB CCCCc1ccc(NC(=O)[C@H](C)n2c(=S)[nH]c3ccccc3c2=O)cc1 12814062 LENGNWWIGPZXSY-AWEZNQCLSA-N 381.501 4.601 0 40 GJAB Cc1noc(C)c1CSc1nnc(COc2ccccc2Cl)n1C1CC1 12820070 VFGPZQHCLWFJCN-UHFFFAOYSA-N 390.896 4.743 0 40 GJAB CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 14664074 PYJQJBNZTNDXIH-UHFFFAOYSA-N 388.467 4.656 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Br)c1 15094173 QNCJYFRATGUJFT-LLVKDONJSA-N 375.291 4.892 0 40 GJAB CCCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c2cccnc12 15841017 BNUWEYYPWIBQOQ-IBGZPJMESA-N 382.435 4.959 0 40 GJAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2F)o1 15881563 JCNXMYLPRHGTES-UHFFFAOYSA-N 392.434 4.668 0 40 GJAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 20106725 HIPIFNBSQHIURX-FQEVSTJZSA-N 375.534 4.686 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 22523938 JPBYSDHHPIQSHA-VXKWHMMOSA-N 385.504 4.765 0 40 GJAB COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=N[C@@H](C)CS2)cc1 27525546 UCKUILJIKLUEBF-LBPRGKRZSA-N 375.881 4.878 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCN4CCC[C@H]4C3)c3cccc(C)c3n2)s1 28227687 TVYWLNVDSIIAFO-KRWDZBQOSA-N 391.540 4.500 0 40 GJAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)c1ccccn1 28293746 HTJFTBKDTQRZPB-OAHLLOKOSA-N 384.838 4.875 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc(CN2CCCCCC2)cs1 29634958 WMIIBCWQGDGDNP-UHFFFAOYSA-N 396.516 4.735 0 40 GJAB Cc1cc(C(F)(F)F)nc2sc(C(=O)NCCC3=CCCCC3)c(N)c12 32117781 BUIMZUAWZIUXGZ-UHFFFAOYSA-N 383.439 4.826 0 40 GJAB COc1ccc(-c2nc(-c3cccc(NC(=O)C4CCCC4)c3)no2)cc1OC 32610553 GSODTCVURRWCID-UHFFFAOYSA-N 393.443 4.550 0 40 GJAB O=C(Cn1ccc2ccc(Br)cc21)Nc1cccc2ncccc12 36365033 GJIUUQPRCLZHLT-UHFFFAOYSA-N 380.245 4.591 0 40 GJAB Cc1nccn1Cc1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1 36394044 RRIKRDCTLWNGOT-UHFFFAOYSA-N 380.801 4.919 0 40 GJAB Cc1noc2nc(-c3cccs3)cc(C(=O)NCCSCc3ccco3)c12 40023337 GMBTWFKZOCSCMU-UHFFFAOYSA-N 399.497 4.516 0 40 GJAB Cc1c([C@H](C)NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)oc2ccccc12 46651267 IQHWNHKPFLUKFI-HOTGVXAUSA-N 396.512 4.532 0 40 GJAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)NC3CCCCC3)n2)c1 49734278 SXLVSEXKFTYNGP-UHFFFAOYSA-N 391.471 4.540 0 40 GJAB Cc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)[C@H](C(=O)c3ccccc3)CN2C)cc1 52530362 AOCPPFBBSZTNPG-TZRRMPRUSA-N 383.491 4.980 0 40 GJAB Cc1cccnc1NC(=O)Cc1csc(-c2cc(Br)cs2)n1 54127191 ZOEADNLEWSNBKS-UHFFFAOYSA-N 394.319 4.519 0 40 GJAB CCCc1ccc([C@@H](NC(=O)N2CCC(c3nc(C)no3)CC2)C(C)C)cc1 61855851 CELBCKMNKKTKQK-FQEVSTJZSA-N 384.524 4.617 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)NCc1nc(-c2cccs2)no1 65778692 BYVYOIVNYRLWAN-UHFFFAOYSA-N 389.480 4.637 0 40 GJAB CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 72320860 UAVNLOQNSFKQBA-LNLFQRSKSA-N 383.511 4.625 0 40 GJAB biogenic,in-vitro CC(=O)N1CCC(N2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)CC1 72350198 RLWPYPAUDOBHHW-LJQANCHMSA-N 397.950 4.592 0 40 GJAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCO)cc1 85430360 CQDBXRTYBMEXEZ-DEOSSOPVSA-N 382.463 4.681 0 40 GJAB CCc1oc2ccccc2c1/C=C/C(=O)N[C@H](C)c1ccc([S@@](C)=O)cc1 89280218 GLCVKXPRZOCQAN-DCTIRUDLSA-N 381.497 4.623 0 40 GJAB Cc1cccc(CC(=O)N2CCC[C@H]2c2nc(-c3ccccc3Cl)no2)c1 98212188 UOFIRLAKEZIURC-SFHVURJKSA-N 381.863 4.605 0 40 GJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1cccc(Cl)c1)c1ccccc1 100426633 VKSYYSOIBSDSOS-WOJBJXKFSA-N 397.906 4.687 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102274839 VWZXLFVLTHWJTJ-UHEFJODHSA-N 385.939 4.756 0 40 GJAB CCOc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1 102571397 QVCNIWILIMHOHS-VGOFRKELSA-N 386.455 4.742 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N1CCS[C@@H](c2ccccc2Cl)CC1 208046687 WGRIYEOZBOVYDX-LJQANCHMSA-N 399.899 4.767 0 40 GJAB C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)CCCC2 222936140 KIDHRNXJLGDIQP-GFCCVEGCSA-N 384.328 4.912 0 40 GJAB CCCC[C@@H](CC)CNC(=O)COc1ccc(Br)cc1Cl 224262428 HARVJTRYUGCFPS-GFCCVEGCSA-N 376.722 4.814 0 40 GJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C(C)C 224574546 PURBENLWWIDBCH-NHCUHLMSSA-N 392.528 4.650 0 40 GJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(CN2CCCC2)c1 224618899 KBQIMYOWELTNPM-IBGZPJMESA-N 388.511 4.519 0 40 GJAB CCOc1ccccc1NC(=S)NCCSCc1ccccc1Cl 225295698 XFXAQINGNNDVAZ-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)ccc1Cl 225707098 ZRVKYAWTQNXZQN-ZDUSSCGKSA-N 376.909 4.791 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c1 225707157 OZGIWFFWAGEXCX-ZDUSSCGKSA-N 376.909 4.791 0 40 GJAB CCCO[C@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1)C1CC1 225858062 DAVZCHZLHZHWTP-NYHFZMIOSA-N 391.508 4.574 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)CSCc1ccc(Br)cc1 408575520 MGJJZDRLAATYRJ-HNNXBMFYSA-N 392.362 4.820 0 40 GJAB CCCN1C(=O)S/C(=C\c2cccn2-c2cccc(Br)c2)C1=O 409011564 HWXDYZUZDQDAMH-PTNGSMBKSA-N 391.290 4.686 0 40 GJAB Cc1cccc(COc2ccc(/C=C3\NC(=O)N(C4CCCCC4)C3=O)cc2)c1 409090766 ONBNCWSSLYESTG-JCMHNJIXSA-N 390.483 4.799 0 40 GJAB CCc1c(C(=O)Nc2ccccc2N2CCN(C)CC2)oc2cc(C)c(C)cc12 526052275 OKPVXMKYHJZPRC-UHFFFAOYSA-N 391.515 4.616 0 40 GJAB O=C(Cc1ccccc1Cl)NC[C@H](O)c1ccc(-c2cccs2)s1 618256435 RPAJJEXBZKDMIL-AWEZNQCLSA-N 377.918 4.522 0 40 GJAB O=C(Nc1cccc(CNCc2c[nH]nc2-c2ccc(Cl)cc2)c1)C1CCC1 1199110387 MFLWJTNHULOURX-UHFFFAOYSA-N 394.906 4.759 0 40 GJAB Cc1ccc2[nH]c(C(=O)N[C@H](C)Cc3cn(C)c4ccc(F)cc34)c(C)c2c1 1570314260 PPYZXZVWJLQEHL-CQSZACIVSA-N 377.463 4.777 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)Nc1ccccc1C(F)(F)F 1775968316 BXOZJJLQBXXIFG-ZDUSSCGKSA-N 396.390 4.882 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 872578 MJXCPWWFLSRVGN-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB CCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccc(C)c(Cl)c1 2062985 WPNOAMUJLUPLIG-UHFFFAOYSA-N 398.890 4.815 0 40 GJAB O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@@H]1c1ccccc1Cl 2483818 MFMINLVRXWLJNQ-LJQANCHMSA-N 389.929 4.930 0 40 GJAB Cc1ccc(Nc2nnc(SCc3nnc(-c4ccccc4)o3)s2)cc1 2629759 CWAAZPBVYCOFDT-UHFFFAOYSA-N 381.486 4.932 0 40 GJAB Cc1cccc(OCc2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)c1 2931020 VOOMSBTVTNRANT-UHFFFAOYSA-N 391.452 4.938 0 40 GJAB COc1ccc(OC)c([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)c1 3120628 XJXKMAKJQACSNW-DNQXCXABSA-N 390.435 4.606 0 40 GJAB Cc1c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)oc2ccccc12 3459307 VGOHJQJTWDTKLK-UHFFFAOYSA-N 386.455 4.978 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(-c3ccoc3)c(-c3ccoc3)n2)c(C)c1 4993628 QQKYKOQRODEMOC-UHFFFAOYSA-N 391.452 4.983 0 40 GJAB Cc1ccccc1OCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 5545999 OGUOIMCREULHRA-UHFFFAOYSA-N 393.531 4.519 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1OCC 6204692 FJOUDYGZAITFHS-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc2c(c1)OCCO2 6496680 OUCLADCKUBGMTK-UHFFFAOYSA-N 388.448 4.987 0 40 GJAB CCC[C@H](C)NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 6560474 ULEILAVYRAIYMO-JTQLQIEISA-N 387.983 4.714 0 40 GJAB CC(C)c1ccc(N(C(=O)CCC2CCCCC2)[C@H]2C=CS(=O)(=O)C2)cc1 6805828 QKRLAMBABJSQNP-NRFANRHFSA-N 389.561 4.814 0 40 GJAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N[C@@H]1CCCc2ccccc21 6882257 IYCVWZWLCQNUFO-UYAOXDASSA-N 391.540 4.627 0 40 GJAB COCCn1c(C)cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c1C 8042056 QULZRQNFNFKRFW-UHFFFAOYSA-N 395.528 4.890 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1 8162265 LOGNUUMRTOXEDL-IBGZPJMESA-N 391.467 4.859 0 40 GJAB COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1C 8276352 KQODPOVSBMFTQV-MHWRWJLKSA-N 389.860 4.907 0 40 GJAB O=C(COc1cccc(Oc2ccccc2)c1)Nc1ccc2c(c1)OCCCO2 8723503 DGWHMZFSOXMCJO-UHFFFAOYSA-N 391.423 4.658 0 40 GJAB COc1ccc(-c2csc3nc(C)nc(N(C)Cc4ccco4)c23)cc1OC 9515568 NWPAYLIIBBAPLB-UHFFFAOYSA-N 395.484 4.913 0 40 GJAB COc1ccccc1N1CCN(C(=O)c2cc3c(ccc4ccccc43)o2)CC1 9625969 LKYMVMUYVZRYEK-UHFFFAOYSA-N 386.451 4.557 0 40 GJAB CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)s1 9996157 NYNQVXSNFSLQAL-UHFFFAOYSA-N 388.876 4.892 0 40 GJAB Cc1cc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)c1 10314857 FVFUPXKABMAEGI-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccc(CC(=O)N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1 11897555 QEVHAURWXBVGPX-SFHVURJKSA-N 399.494 4.796 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(OC(F)F)cc1 12999908 GUADVVPKUDRRCQ-UHFFFAOYSA-N 380.441 4.711 0 40 GJAB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 13000254 FOMIYUJXTZXBAG-LHHJGKSTSA-N 379.387 4.914 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(C)c2)sc2c1CCCC2 13992551 JAIPHMDLQOJFOU-AWEZNQCLSA-N 387.501 4.518 0 40 GJAB COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1OC 14576997 JSSMKNVUIQDGMC-RUZDIDTESA-N 389.495 4.851 0 40 GJAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)c(OC)c1 15224677 FYZWDURMACDDJS-QPPBQGQZSA-N 386.451 4.946 0 40 GJAB CCCCCOc1ccc(C(=O)[C@H](CN2CCOCC2)c2ccccc2)cc1 19313977 YQEZEBGRXNQCIS-HSZRJFAPSA-N 381.516 4.554 0 40 GJAB O=c1oc2ccc(Cl)cc2n1[C@H]1CCCN(Cc2ccnc3ccccc23)C1 19376089 WUUZUQCMKISQMV-KRWDZBQOSA-N 393.874 4.633 0 40 GJAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 19691262 KPVYFHQOZKOUIJ-LJQANCHMSA-N 396.491 4.587 0 40 GJAB CC[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(OC)cc1 21385759 MLQQUFWDKSPISS-IBGZPJMESA-N 382.435 4.689 0 40 GJAB O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1Cc1ccccc1C(F)(F)F 21661902 OCVALRDJLVNMFG-UHFFFAOYSA-N 398.306 4.996 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1 22969818 AAHRRJCVAKXXDC-QGZVFWFLSA-N 380.271 4.988 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 23313442 CHYFRMQADSCLEL-JOCHJYFZSA-N 377.484 4.511 0 40 GJAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC[C@@H](C)C2)cc1 23704142 IFRBSPIZRUDWKT-QGZVFWFLSA-N 394.540 4.866 0 40 GJAB COc1ccc(-c2nc(COC(=O)CCc3ccsc3)cs2)cc1OC 24867382 NVDSBZWWKUDFHR-UHFFFAOYSA-N 389.498 4.565 0 40 GJAB CC(=O)Nc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 25312986 LQEFKAJPUYYFJC-UHFFFAOYSA-N 396.494 4.788 0 40 GJAB Cc1cc(OCn2ccc(C(=O)N3CCCc4ccccc43)n2)cc(C)c1Cl 27972867 JCSSPYHNKRORTM-UHFFFAOYSA-N 395.890 4.783 0 40 GJAB CC(C)(C)c1nc(CSc2nccn2-c2ccc(Br)cc2)no1 28013516 NECCIGXVDXQGCU-UHFFFAOYSA-N 393.310 4.608 0 40 GJAB O=C(CCCc1nc(-c2ccc(F)cc2)no1)Oc1ccc2ccccc2c1 31665295 WCGDQPPVTPKPAY-UHFFFAOYSA-N 376.387 4.957 0 40 GJAB O=C(COc1ccccc1)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623182 YIENYFKANKDPBV-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB O=C(Nc1cccc2c1CCCC2)c1ccc(=O)n(Cc2ccccc2Cl)c1 32847781 DMBRRJKBXQZERG-UHFFFAOYSA-N 392.886 4.681 0 40 GJAB Cc1ccc(/C=C/C(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 32903821 KRPVWSNEUDDJJH-OFAQMXQXSA-N 383.442 4.981 0 40 GJAB COc1ccccc1/C=C1/SC(=O)N(CNc2ccc(C)c(Cl)c2)C1=O 33295330 OLISSAYDFDWGPI-RQZCQDPDSA-N 388.876 4.763 0 40 GJAB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c(OC)c1 35040506 ZSXLQTDWROLEDN-CXUHLZMHSA-N 391.901 4.763 0 40 GJAB Cc1ccc(CN(CCCn2ccnc2)Cc2cccc(C(F)(F)F)c2)o1 36740246 XSFAZTHSUFQQHK-UHFFFAOYSA-N 377.410 4.896 0 40 GJAB CCOc1ccc(C(=O)COC(=O)c2cc(CC(C)C)nc3ccccc23)cc1 41125380 XHNFQHRXCIHRTA-UHFFFAOYSA-N 391.467 4.872 0 40 GJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccc(Cl)cc1 59294734 IAUQZWTWWNGBCB-UHFFFAOYSA-N 377.231 4.707 0 40 GJAB Cc1cccc(C(C)(C)CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1 60184605 PKXUKANCKKBMJU-UHFFFAOYSA-N 381.907 4.850 0 40 GJAB COc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c1 67296695 NWTSDKATNKMGJX-BZZOAKBMSA-N 385.423 4.630 0 40 GJAB Cc1nn(C)c(Cl)c1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 67523001 NYUCFZUBDADMQI-UHFFFAOYSA-N 399.844 4.643 0 40 GJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 95482325 GLPAYSIXPOOLBW-CQSZACIVSA-N 399.878 4.597 0 40 GJAB Cc1ncc(Cl)c(C(=O)Nc2nc(-c3ccccc3C(F)(F)F)cs2)n1 95961444 PTCCSASBJRYLNJ-UHFFFAOYSA-N 398.797 4.833 0 40 GJAB COC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CCCC2 138590035 RCUSSWUPOJHIKK-UHFFFAOYSA-N 375.515 4.534 0 40 GJAB CSc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 207696073 UHZJXNIQJJLXIG-RGEXLXHISA-N 394.521 4.880 0 40 GJAB O=C(NCc1ccc([C@H](O)c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 207969986 KKCQXQYNRGIIEX-YYAZDPENSA-N 381.541 4.662 0 40 GJAB CC(C)Oc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 219679309 NJRFXGCPIUCENP-CYBMUJFWSA-N 378.266 4.642 0 40 GJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(Br)cc3)N21 222644034 SRPAFVNITVZRIF-BHYGNILZSA-N 388.334 4.824 0 40 GJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCOc1cccc2ccccc12 223550861 FWRUACWDKBJBFU-GOSISDBHSA-N 377.484 4.926 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1cccc(C)c1C 223964122 PEQWTDPFKDYHRT-IBGZPJMESA-N 375.896 4.618 0 40 GJAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cccc(Cl)c1 224153316 DTAIEDFZHHMPHR-UHFFFAOYSA-N 399.849 4.997 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C 224461398 LKSUFVZLDUQBFD-PMACEKPBSA-N 396.947 4.867 0 40 GJAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)c1ccc2c(c1)CCCC2 225635926 BZZJVNUIEFKGOT-UHFFFAOYSA-N 381.863 4.541 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccc(Br)cc2N)o1 226304844 IJJPMBLADSBRHV-RYUDHWBXSA-N 377.282 4.694 0 40 GJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1cc(Cl)ccc1O 408567863 GMALMYLVUPOUTA-UHFFFAOYSA-N 381.906 4.542 0 40 GJAB CCOc1ccccc1N(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 408627479 MTSLOTAJNSHEON-UHFFFAOYSA-N 381.497 4.789 0 40 GJAB CCOc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(OCC)c1 409095912 IUJYIPPVLUYXQA-SXGWCWSVSA-N 377.362 4.996 0 40 GJAB COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccccc1F 409112455 CWHXXMDGRFCNDR-PDGQHHTCSA-N 375.399 4.906 0 40 GJAB Cn1cc(-c2cc(CNC(=O)N(c3ccccc3)c3ccccc3)ccn2)cn1 575619772 YKGAQVCRVIYFLN-UHFFFAOYSA-N 383.455 4.530 0 40 GJAB O=C(NCc1cncc(-c2ccoc2)c1)c1ccc(Oc2nccs2)cc1 575619889 HJCHFLRDDHQPRU-UHFFFAOYSA-N 377.425 4.520 0 40 GJAB O=C(NCc1nccnc1-c1ccsc1)c1ccc(-c2cccs2)cc1 575621172 YSDGJTQOUWPEPK-UHFFFAOYSA-N 377.494 4.864 0 40 GJAB C[C@@H](CC(=O)NCc1ccc(Oc2cccnc2)c(F)c1)c1ccccc1F 588369211 JCPYKTZQCMATRR-HNNXBMFYSA-N 382.410 4.962 0 40 GJAB CCN(C(=O)Nc1ccc2c(c1)CCN(C)C2=O)[C@@H](C)c1cc2ccccc2o1 667767346 FEYFLYFRWHBFCT-HNNXBMFYSA-N 391.471 4.676 0 40 GJAB COc1cc(NC(=O)c2cc3ccccc3cc2OC(C)=O)c(OC)cc1Cl 643197 JICRDMOKQCCJEN-UHFFFAOYSA-N 399.830 4.688 0 40 GJAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1cc2ccccc2o1 724921 RLTAZWZSHTZBND-UHFFFAOYSA-N 393.512 4.546 0 40 GJAB CC(C)(C)NC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C(C)(C)C)C3 1223134 QYIKYJAAPGTPGG-GFCCVEGCSA-N 391.606 4.849 0 40 GJAB Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)cc1Cl 1306261 ULXASRGXCZSMGI-UHFFFAOYSA-N 385.876 4.612 0 40 GJAB Cc1ccc([C@](O)(C(F)(F)F)[C@](O)(c2ccc(C)cc2)C(F)(F)F)cc1 1559248 PNGDXJSMGGINQB-HZPDHXFCSA-N 378.312 4.503 0 40 GJAB CCCOc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1 1778038 KXXNRZXLZPYIHC-FMIVXFBMSA-N 387.501 4.982 0 40 GJAB Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccc(Cl)c1 2390994 FWOBFVBSKONSBS-UHFFFAOYSA-N 384.814 4.623 0 40 GJAB Fc1ccc(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)c(F)c1 2806410 AJESRDBFDYLCEC-UHFFFAOYSA-N 388.377 4.802 0 40 GJAB O=C(COC(=O)/C=C/c1ccccc1Cl)Nc1ccc(SC(F)F)cc1 3230245 PHZZQDPFFHIEHG-BJMVGYQFSA-N 397.830 4.850 0 40 GJAB COc1ccc(-c2csc(NC(=O)CCCOc3ccccc3)n2)cc1OC 3372629 KETHVGVHDKSWMX-UHFFFAOYSA-N 398.484 4.625 0 40 GJAB CCCCCOP(=O)(OCCCCC)O[C@@H](C(=O)OC)C(F)(F)F 4277120 DGKXSNXZFMGDNC-LBPRGKRZSA-N 378.324 4.629 0 40 GJAB Cc1ccc(CNc2nc(Nc3cccc(Cl)c3)c3cnn(C)c3n2)cc1 4374903 SZOINMMNOYPTBR-UHFFFAOYSA-N 378.867 4.681 0 40 GJAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1 4735613 GUIWRDYJEQWOIN-NRFANRHFSA-N 391.471 4.676 0 40 GJAB CCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 6240651 ROFWPVQIRXPRMC-UHFFFAOYSA-N 389.908 4.596 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 6514738 BWPWNYLKGSHLKY-UHFFFAOYSA-N 396.450 4.750 0 40 GJAB O=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1Cl)c1ccco1 6785450 PBAHVJNDEATUMM-UHFFFAOYSA-N 389.238 4.769 0 40 GJAB Cc1cc(C)c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c(Cl)c1 6947428 ODTPIJHYAUPRKP-UHFFFAOYSA-N 384.863 4.553 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1[C@H](C)c1ccccc1 7235153 HVRLPVHISYGSAH-OAHLLOKOSA-N 394.544 4.695 0 40 GJAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3nc(-c4ccccn4)cs3)cc12 7734769 ARSODLJEIXBXKF-UHFFFAOYSA-N 397.529 4.833 0 40 GJAB O=C(CCc1nc(-c2ccccc2)no1)NC(c1ccccc1)c1ccccc1 8061150 GOJBHBLOGYJVBP-UHFFFAOYSA-N 383.451 4.575 0 40 GJAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1cccc(Cl)c1Cl 8133671 YSIFDXNUWPUGNV-MRVPVSSYSA-N 399.328 4.959 0 40 GJAB O=C(CN1CCc2ccccc21)N1N=C(c2cccs2)C[C@H]1c1cccs1 8189312 JHOJLDIZTNMJSQ-SFHVURJKSA-N 393.537 4.550 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 9378644 NACJMBKMLHMNCF-UHFFFAOYSA-N 396.299 4.597 0 40 GJAB O=C(Nc1ccc(OCC(F)(F)F)cc1)c1c[nH]c(=S)n1-c1ccccc1 10979864 CXMBREYNAOJIBA-UHFFFAOYSA-N 393.390 4.728 0 40 GJAB Cc1c(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)oc2c1ccc1ccccc12 12528848 SPZSWFHZLCRGOJ-STXHMFSFSA-N 393.483 4.992 0 40 GJAB COc1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OC(F)F 12782546 HVUOELINDOAWGL-PXRHCINRSA-N 379.447 4.631 0 40 GJAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H]1c1ccccc1 12811481 WKGVZBSQFQXVBX-OAHLLOKOSA-N 389.826 4.885 0 40 GJAB CN(CCOc1ccccc1Cl)C(=O)c1cccnc1Oc1ccccc1 12911249 UVKWRJMIMGJVLL-UHFFFAOYSA-N 382.847 4.678 0 40 GJAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 14256596 BUDAWFWGKROJJG-UHFFFAOYSA-N 382.323 4.856 0 40 GJAB CC(=O)c1c(C)oc2c(C)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12 16807641 NJJPBFWJRJUSOD-UHFFFAOYSA-N 377.849 4.706 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 16840597 IASLIVXINSSQKX-UHFFFAOYSA-N 392.839 4.874 0 40 GJAB COc1ccc(-c2cc3nc(C)c(C)c(N4C[C@@H](C)C[C@@H](C)C4)n3n2)cc1OC 18102026 CQYDSKABIZLRRK-GASCZTMLSA-N 394.519 4.513 0 40 GJAB CCOc1ccc(N/C=C2/C(=O)N(c3ccccc3)C(=O)c3ccccc32)cc1 18126040 GUMRDKLPYFVVHH-CJLVFECKSA-N 384.435 4.725 0 40 GJAB COc1cc(CN[C@@H](Cc2ccsc2)c2ncccc2C)cc(OC)c1OC 19237633 ABTUADLBOKWKDT-SFHVURJKSA-N 398.528 4.551 0 40 GJAB COc1ccc(CN(C(=O)c2cc(C)n(Cc3ccco3)c2C)C2CC2)cc1 21557415 BYXPCEMIJXKJAF-UHFFFAOYSA-N 378.472 4.560 0 40 GJAB CCn1cc(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2cc(OC)ccc21 22235780 MVGSNBWXCSZWIX-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC[C@H](C)C2)cc1 23114519 GDQCSSOWEPIINT-INIZCTEOSA-N 398.503 4.751 0 40 GJAB COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc2F)cc1 24613810 AYOHSSRBQFHWQG-UHFFFAOYSA-N 385.460 4.538 0 40 GJAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccc2c3c(cccc13)CC2 24871854 QWZYPEXLKYIJQO-UHFFFAOYSA-N 383.451 4.950 0 40 GJAB O=C(OCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 25330356 UEJCYHVOVHNMHE-UHFFFAOYSA-N 379.165 4.676 0 40 GJAB CCCCN(CCCC)SCNC(=O)Oc1cccc2c1OC(C)(C)C2 25757484 FABFUHUAVHHSSM-UHFFFAOYSA-N 380.554 4.996 0 40 GJAB CCCSc1ncc(Br)c(C(=O)Nc2cc(C)ccc2C)n1 27795441 XDRDHTJVZQHBDN-UHFFFAOYSA-N 380.311 4.610 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)COc3ccc(C(C)C)cc3)cs2)cc1 27991912 WODQOXZCSXXLCD-UHFFFAOYSA-N 394.540 4.980 0 40 GJAB CCCCCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)c2ccccc12 28251971 POBSOHBPEYTVHO-KRWDZBQOSA-N 375.534 4.972 0 40 GJAB CCn1nc(C)c2c(C(=O)N3CCCC[C@H]3C)cc(-c3ccc(C)cc3)nc21 36616017 QCKUJGBNLXGEPA-MRXNPFEDSA-N 376.504 4.750 0 40 GJAB CC(=O)c1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2Cc1ccccc1 36616361 UUKWBOJZJXUKDI-UHFFFAOYSA-N 398.466 4.551 0 40 GJAB Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)ccc1N1CCN(C)CC1 40015917 LZRMGEOMIBATOO-UHFFFAOYSA-N 399.538 4.595 0 40 GJAB Cc1cc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c(C)n1Cc1ccco1 40062952 OYUVFVLBFASASN-OAQYLSRUSA-N 394.471 4.556 0 40 GJAB CC(C)CCC[C@@H](C)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 40140199 DYGVCOYRVZBART-GOSISDBHSA-N 387.545 4.605 0 40 GJAB COc1cc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c(OC)cc1Cl 44839374 VIFDJUIPBAWDDQ-CQSZACIVSA-N 377.868 4.688 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1cc(F)ccc1Cl 51364530 WOVZIRSHDGVHQV-OAHLLOKOSA-N 382.822 4.638 0 40 GJAB O=C(CCC(=O)N1CCC[C@@H]1c1cccc(Br)c1)c1cccs1 55785132 HRTANXQQWSXQGY-OAHLLOKOSA-N 392.318 4.837 0 40 GJAB COc1ccc(CN2C(=O)/C(=C/C=C/c3ccccc3)c3ccccc3C2=O)cc1 58607300 JRNPSNAEVXGJKD-RHESKXDESA-N 395.458 4.975 0 40 GJAB O=C([C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC=C(c2ccc(O)cc2)CC1 71886853 DXSLSCHZWQCKOO-OALUTQOASA-N 387.401 4.830 0 40 GJAB CCOC(=O)[C@H](Cc1ccccc1)c1nc(C(C)(C)C)nn1Cc1ccccc1 72233843 PJGADXGPCFLXRK-HXUWFJFHSA-N 391.515 4.513 0 40 GJAB O=C(Cc1cccnc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 72357915 MHKSIEAETKEKOE-JOCHJYFZSA-N 391.902 4.627 0 40 GJAB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(Nc3ccccc3)C2=O)cc1 85397591 HXBNGPXREKCJPX-CJLVFECKSA-N 383.451 4.661 0 40 GJAB O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccccc1Br 90607227 ULLQVJCDRKVTKI-UHFFFAOYSA-N 382.261 4.511 0 40 GJAB O=C(CCCSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2)no1 95482464 HBSURSQZFYNRKE-UHFFFAOYSA-N 387.892 4.579 0 40 GJAB CC(C)Cn1cnc2c(c1=N)[C@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 101351690 RQDCNBCALOYSQP-GOSISDBHSA-N 381.863 4.663 0 40 GJAB O=C1C[C@H]2C[C@@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104105609 WGDFXKOCGPJSKU-HMRTYJKDSA-N 380.913 4.673 0 40 GJAB Cc1cc2c(N)c(C(=O)N3C[C@H](C)C[C@@H](C)C3)sc2nc1-c1ccccc1 215683601 UOJFHNUCCQDOAD-ZIAGYGMSSA-N 379.529 4.972 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 222865808 RGOBUIVHJBOECD-WOJBJXKFSA-N 396.947 4.908 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 222895178 LCLSUMNVANAOSZ-HSZRJFAPSA-N 383.532 4.943 0 40 GJAB COc1ccc(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1C 223311308 UTHIVBRSYCOEIS-UHFFFAOYSA-N 398.355 4.903 0 40 GJAB CCOc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1Cl 224536943 GKADBGVLHAVHFN-UHFFFAOYSA-N 386.923 4.655 0 40 GJAB Cc1ccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)cc1 224884419 VGXSLBHZHLBCIE-UHFFFAOYSA-N 385.261 4.984 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccc(OC)cc1 225489087 KTJFTHRTRRGGJB-QGZVFWFLSA-N 392.908 4.573 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCCCCC1 225660539 BJAVWHBLUFVPDN-UHFFFAOYSA-N 383.916 4.823 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 257217717 DAHFWDVGXCXXFR-GOSISDBHSA-N 375.447 4.611 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2ccccc2C)n1 408697838 KCOIVAUZZRPSLH-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccco3)n2C)cc1 409201811 YIQMIQGSYBUVMM-FCQUAONHSA-N 390.464 4.763 0 40 GJAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@H](Oc2ccncc2Cl)C1 575611649 FMGKSSYZNNJLBG-KRWDZBQOSA-N 399.853 4.553 0 40 GJAB Cc1nnc(CN(C)C(=O)Nc2ccc(-c3ccc(OC(C)C)cc3)cc2F)o1 667134652 DPJYDNFTMKMBEK-UHFFFAOYSA-N 398.438 4.635 0 40 GJAB CCOc1ccccc1-c1nn2c(CSCc3ccccc3)nnc2s1 1501039950 OQUFUWMUDQAJFQ-UHFFFAOYSA-N 382.514 4.685 0 40 GJAB COc1c(C)cccc1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615159182 OICUMHLFMAQWPZ-SFTDATJTSA-N 396.506 4.805 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCc4c(F)cc(F)cc4[C@@H]3C)n[nH]2)cc1C 1631635331 ITSXLPLNZWKBMP-AWEZNQCLSA-N 381.426 4.731 0 40 GJAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1 676570 DVNCGJGVHQURGI-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1Cc1ccccc1 688077 MRKMVAONNYWIQV-UHFFFAOYSA-N 391.268 4.874 0 40 GJAB Clc1ccc(C2=Nn3c(COc4ccccc4)nnc3SC2)cc1Cl 1103861 WVXXIMZDUTVMIO-UHFFFAOYSA-N 391.283 4.522 0 40 GJAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4ccccc4Cl)c(=O)c23)C1 1784983 NDVXZYVFPFLXCA-CYBMUJFWSA-N 387.936 4.706 0 40 GJAB CCCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)Nc1ccccc1-2 2084580 DGAMWLUAPNZHBO-SFHVURJKSA-N 379.489 4.719 0 40 GJAB Cc1oc2cc(OCC(=O)OC(C)C)ccc2c(=O)c1-c1ccc(Cl)cc1 2425856 OFJJDBATAPJBRR-UHFFFAOYSA-N 386.831 4.752 0 40 GJAB biogenic CCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(C)c1 2441206 MPMDLEJJVFQFPQ-UHFFFAOYSA-N 398.532 4.731 0 40 GJAB CCc1ccc(NC(=O)CSCCCC(=O)Nc2c(C)cccc2C)cc1 2655120 JWGCILILKVJOJC-UHFFFAOYSA-N 384.545 4.956 0 40 GJAB CCCCSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 2720037 MRBZGRVUMCRKRF-UHFFFAOYSA-N 397.363 4.535 0 40 GJAB CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 2780023 IQKPOSDNRXYXNT-UHFFFAOYSA-N 387.501 4.843 0 40 GJAB O=C(COC(=O)c1ccccc1Nc1ccccc1)NCc1ccccc1Cl 3230241 VFAROGSVWBCCAW-UHFFFAOYSA-N 394.858 4.557 0 40 GJAB O=C1/C(=C/c2ccc(Cl)cc2)NC(=S)N1c1cccc(Cl)c1Cl 3257486 DVPWXWZTTGQGTF-WQLSENKSSA-N 383.687 4.909 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc(NC3CCCCC3)s2)c1 3262120 YXHCUBCAUDSCPN-UHFFFAOYSA-N 376.551 4.630 0 40 GJAB O=S(=O)(c1ccc(NC(c2ccccc2)c2ccccc2)cc1)N1CCCC1 3299866 ZTWBQNVAWDWDQZ-UHFFFAOYSA-N 392.524 4.673 0 40 GJAB Fc1cc2c(c(CSc3nnc4ccccn34)c1)O[C@@H](c1ccccc1)OC2 3440975 QCOBMENZJXOLPJ-FQEVSTJZSA-N 393.443 4.769 0 40 GJAB O=c1c2cc(Cl)cc(Cl)c2nc(-c2cccc(C(F)(F)F)c2)n1O 4059950 UXCWJQQXVMMUFW-UHFFFAOYSA-N 375.133 4.626 0 40 GJAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(Cl)cc1 4078304 YIGAJEDSJOASLF-UHFFFAOYSA-N 379.869 4.875 0 40 GJAB c1ccc(Cn2c(SCc3cn4ccccc4n3)nnc2-c2ccco2)cc1 4289213 TWAKRIVWXOWFTF-UHFFFAOYSA-N 387.468 4.526 0 40 GJAB COc1ccc(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)c2ccccc12 4578134 DDJBYTCQJRUDQN-UHFFFAOYSA-N 399.556 4.733 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1cccc2ccccc12 4977683 KDKOTBOCQSXWOR-NQSCKRDGSA-N 382.500 4.930 0 40 GJAB COc1cc(/C=C(\Cl)c2nc(O)c3ccc(Cl)cc3n2)cc(OC)c1 5071259 RWAGHLVKUWRUAE-CHHVJCJISA-N 377.227 4.743 0 40 GJAB O=C1C[C@@H](c2ccccc2)Oc2c(Br)cc(Br)cc21 5604254 HSPXCJYAPLHWJF-AWEZNQCLSA-N 382.051 4.918 0 40 GJAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 6056787 INTNAOYPKMJYHZ-ZDUSSCGKSA-N 396.270 4.559 0 40 GJAB CC(C)c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 6201600 ZKXINOVRJZREGC-UHFFFAOYSA-N 379.791 4.596 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(C)C 6314000 VRVCWTZXSHKQPQ-UHFFFAOYSA-N 383.517 4.822 0 40 GJAB CCCCOC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 6592490 UGBCXJOGUBROJF-OAHLLOKOSA-N 388.471 4.733 0 40 GJAB CCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 6635485 IPIYUTRWJPNVDJ-BOPFTXTBSA-N 386.429 5.000 0 40 GJAB COCCCN(C(=O)C1CCCCC1)c1nc(-c2ccc(OC)cc2)cs1 6668879 JSZBUMJINMHTTM-UHFFFAOYSA-N 388.533 4.769 0 40 GJAB CCSc1nc(-c2cccc(Cl)c2)nc2c1Cc1c(CO)cnc(C)c1O2 6858372 AKCQKMGYHJNKOJ-UHFFFAOYSA-N 399.903 4.801 0 40 GJAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)CNCc1ccccc1 6933069 HKQCBICFBAZMCN-LROMGURASA-N 391.555 4.769 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(NCc2ccco2)s1 7161869 NZROYEUHYLGEIY-GFCCVEGCSA-N 398.513 4.896 0 40 GJAB COc1ccccc1OCCn1c([C@H](C)N2CCCCC2)nc2ccccc21 7343621 BTFIAZMZTSOWBV-SFHVURJKSA-N 379.504 4.671 0 40 GJAB Cc1ccsc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O 7603245 MXJZZGHRSCXXEH-JYRVWZFOSA-N 378.862 4.978 0 40 GJAB O=C(Cc1ccsc1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 7777744 ALSFHRYCHWFRHR-QPJJXVBHSA-N 391.492 4.808 0 40 GJAB O=C(c1ccc(Br)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 8104810 KNZRGKPKDARPMO-NSHDSACASA-N 391.290 4.672 0 40 GJAB CC(=O)c1ccc(NC(=S)Nc2ccc(Nc3ccc(Cl)nn3)cc2)cc1 8306599 BTCIIJGQXDOVNF-UHFFFAOYSA-N 397.891 4.885 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1 8475430 UZMDLZLHGAMUFM-INIZCTEOSA-N 384.435 4.886 0 40 GJAB O=C(NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 8476500 BFJQEUJUAZBVBW-UHFFFAOYSA-N 380.879 4.650 0 40 GJAB CC(C)[C@@H](NC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 9793156 GUQACAHXRLODMZ-YCRPNKLZSA-N 386.467 4.697 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)Nc1nnc(SCc2ccc(F)cc2)s1 9884210 OTQFUEWXOHIHEV-UHFFFAOYSA-N 398.488 4.632 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1F 10282341 XMAZYDAYEBEOBZ-INIZCTEOSA-N 389.536 4.940 0 40 GJAB Cc1cc(C(=O)Nc2cccc(C)c2C)ccc1NS(=O)(=O)c1ccccc1 10328669 QEVAVKSUVAVTNR-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1cc(OC)c(NC(=O)Cc2csc(-c3cccs3)n2)cc1Cl 11602147 SXRFUSQNUAPZSA-UHFFFAOYSA-N 394.905 4.723 0 40 GJAB Cc1sc2nc(CN(C)Cc3ccc(C(F)(F)F)cc3)nc(N)c2c1C 12640246 JQQKYIYWRUXTBK-UHFFFAOYSA-N 380.439 4.541 0 40 GJAB CN(C)Cc1ccccc1CNC(=O)[C@H](Sc1ccccc1)c1ccccc1 12728977 TZUFSRLLCBMIND-HSZRJFAPSA-N 390.552 4.898 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3cc(F)ccc3Br)o2)cs1 12862507 PAEWPARUOHKACC-UHFFFAOYSA-N 395.253 4.543 0 40 GJAB O=C(NCc1ccc(Cl)cc1)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13146034 DKRVHEXDQWCTQM-MQVJKMGUSA-N 381.994 4.959 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 13710027 ZRJKBLQYYJJRHV-AWEZNQCLSA-N 375.852 4.703 0 40 GJAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccc2c(c1)OCCO2 13941874 ACIDJOILVMXJDL-UHFFFAOYSA-N 387.892 4.682 0 40 GJAB CC(C)c1n[nH]c(SCc2csc(COc3ccc(Cl)cc3)n2)n1 14085977 SIDKDYSIKXHSAQ-UHFFFAOYSA-N 380.926 4.909 0 40 GJAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc(F)cc1F 15314887 OCPDMYQTQXWEHJ-UHFFFAOYSA-N 392.199 4.898 0 40 GJAB Fc1cc2c(c(CN3CCC[C@@H](c4nc5ccccc5s4)C3)c1)OCOC2 16046966 PFBOQOPQRVVUCJ-CQSZACIVSA-N 384.476 4.682 0 40 GJAB COc1ccccc1-c1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 17172971 QTACFINYNMPNSA-UHFFFAOYSA-N 377.256 4.835 0 40 GJAB Clc1ccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1Cl 19292881 XYGHXGXZVITQQU-UHFFFAOYSA-N 389.286 4.818 0 40 GJAB CCOc1ccc([C@@H](C)N(C)Cc2c(C3CCNCC3)[nH]c3ncccc23)cc1 19532651 WMLSQSZRMQXXII-QGZVFWFLSA-N 392.547 4.622 0 40 GJAB O=S(=O)(NCCCc1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 20486219 HPJXOADUGVTQRB-UHFFFAOYSA-N 385.460 4.529 0 40 GJAB C[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)[C@H](O)c1ccccc1 22076617 VYQBNRUFRDRUFK-VLIAUNLRSA-N 386.289 4.921 0 40 GJAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1C(=O)c1ccccc1 28283180 SBGMCJRRVDLPIZ-UHFFFAOYSA-N 385.448 4.688 0 40 GJAB CC(=O)Nc1cccc([C@H](C)NC(=O)CCc2cccc(Cl)c2Cl)c1 32924541 USRWMQQSJKSNJD-LBPRGKRZSA-N 379.287 4.762 0 40 GJAB C[C@@H](NC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1 32931945 BXJNYTCIYBOTSQ-MLGOLLRUSA-N 397.828 4.600 0 40 GJAB O=C(NCc1ccccc1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832780 HZIBEUSJBDGXEP-INIZCTEOSA-N 377.315 4.522 0 40 GJAB CN(Cc1ccccc1)Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1 57427711 SKOAHUPCMZQBHV-UHFFFAOYSA-N 385.467 4.948 0 40 GJAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1)C(C)C 58016986 SUWHAXQKGULJCZ-KRWDZBQOSA-N 393.531 4.761 0 40 GJAB Cc1ccc(SCCC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1C 58314958 PHBQQRMAFHVHJM-SFHVURJKSA-N 386.536 4.567 0 40 GJAB CC(C)c1cc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)on1 70767027 JIYBXWYQDOZIIX-UHFFFAOYSA-N 399.882 4.689 0 40 GJAB Cc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccccc5)n4)C3)ccc2[nH]1 72361040 PTPZPBXZWGUKFO-HXUWFJFHSA-N 396.494 4.953 0 40 GJAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)c2ccccc2)n1 72390720 ODUHTQTWKKKQAH-LJQANCHMSA-N 390.487 4.678 0 40 GJAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1C(F)(F)F 77101356 WNTKBVLJVBELLJ-UHFFFAOYSA-N 377.297 4.679 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1c(F)cccc1F 90593201 MLJUATNNFYNIDZ-UHFFFAOYSA-N 378.831 4.980 0 40 GJAB Cc1ccc(C(=O)N[C@@H](SCc2ccccc2)C(=O)c2ccccc2)cc1 94992805 XHWLEPJOGCPKMU-QHCPKHFHSA-N 375.493 4.867 0 40 GJAB Clc1cccc(Cl)c1-c1nc2c(-c3nc4ccncc4[nH]3)nccc2[nH]1 95628638 RHPNUGOKIZRANZ-UHFFFAOYSA-N 381.226 4.870 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@H](CC)C2 102618088 JZDDWFWBEDLKSG-RZLSGREXSA-N 375.534 4.814 0 40 GJAB Cc1ccc(C2=C[C@H](c3cccc(Oc4ccccc4)c3)n3nnnc3N2)cc1 102949363 XFEVBAKZZBPGMW-JOCHJYFZSA-N 381.439 4.830 0 40 GJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(OC)c(OC)c1 219032296 SRHDLROAWUWQOE-HRAATJIYSA-N 393.483 4.892 0 40 GJAB COC(=O)c1cn(C(=O)c2ccccc2CCc2ccccc2)c2ccccc12 222611452 JWJDFVBZYIOYSG-UHFFFAOYSA-N 383.447 4.902 0 40 GJAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)S1 222624088 ZVLNZFDLYYJSRA-KPOBHBOGSA-N 378.476 4.601 0 40 GJAB CCCOc1ccccc1CCCNC(=O)CSCc1ccccc1F 222710664 JYBPJWZVKQLJNO-UHFFFAOYSA-N 375.509 4.597 0 40 GJAB Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)cc1 222734017 LPDZEJCNRLYXPD-OALUTQOASA-N 381.526 4.737 0 40 GJAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCC1=CCCCC1 222833632 XBNBGJTVHTZQSB-QGZVFWFLSA-N 390.955 4.720 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccccc1 223009621 CUHWPFMHGAGKOH-IBGZPJMESA-N 377.937 4.855 0 40 GJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223212587 QYCPUPXUHHMJFX-SNVBAGLBSA-N 394.283 4.918 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cc(C)cc(C)c1 224092273 SWQIXQCSDSDXJX-QHCPKHFHSA-N 377.484 4.809 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)ccc21 225163068 HYNPZIMUDOQVQK-LBPRGKRZSA-N 390.892 4.703 0 40 GJAB CCCCCC(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(C(=O)O)o2)c1 226351207 FHCLIEBSMISBPG-UHFFFAOYSA-N 394.880 4.692 0 40 GJAB O=C(O)c1ccc(-c2ccc(Br)cc2NC(=O)C2CCCCC2)o1 226351811 AKFDVSNBPODAIZ-UHFFFAOYSA-N 392.249 4.926 0 40 GJAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 242943253 HCSUCMMQFVTCPD-UHFFFAOYSA-N 389.860 4.942 0 40 GJAB Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)n1 257296318 RCFNPXSGKPSHNM-IBGZPJMESA-N 386.499 4.899 0 40 GJAB Cc1cc(C)nc(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)n1 408560644 MXGZCDPULJPFHD-UHFFFAOYSA-N 398.557 4.873 0 40 GJAB Cc1cc(C)c(O)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 408625273 XGMRUUJWFACSKN-UHFFFAOYSA-N 384.888 4.942 0 40 GJAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1C 409003267 RPKWFXTUPNRLTQ-AUUYWEPGSA-N 388.895 4.928 0 40 GJAB CCOc1cc(C)c(/C=C2/SC(=O)N(CCCOC)C2=O)cc1C(C)C 409247054 BOEHSQKDQUHUEQ-LDADJPATSA-N 377.506 4.590 0 40 GJAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc(Cl)ccc1Cl 507156934 LSUIFYZFGPMCEL-UHFFFAOYSA-N 379.218 4.760 0 40 GJAB CC[C@@H]1NC(=O)N(c2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)C1=O 554098678 PAQKGKVXOCZGAE-HNNXBMFYSA-N 399.809 4.654 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)C1(c2cccs2)CCCC1 585148022 MKWCPMBUHKRWPN-GOSISDBHSA-N 381.497 4.670 0 40 GJAB O=C(/C=C/c1ccccc1)N1CCC[C@H](Cc2ccnc(Nc3ccccn3)c2)C1 585292471 NDVNFSJGKVPPCF-VDZCTEQFSA-N 398.510 4.715 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)NCc1cncc(-c2cccnc2)c1 675008116 AXPLRJVMAPJBME-UHFFFAOYSA-N 386.282 4.699 0 40 GJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 683294 NBXXTTDGYIRTKZ-FOCLMDBBSA-N 386.451 4.990 0 40 GJAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(C(=O)OC)cc1 954340 QPUSMXPMXSAOKD-UHFFFAOYSA-N 384.819 4.595 0 40 GJAB COc1ccc(-c2oc3ccccc3c(=O)c2OCCOc2ccccc2)cc1 1791354 UXKHKCBYHNQYIB-UHFFFAOYSA-N 388.419 4.926 0 40 GJAB COc1cc(NC(=O)CCCOc2ccc(C)cc2C)c(OC)cc1Cl 1914083 NZLOEEVPXSXZGY-UHFFFAOYSA-N 377.868 4.772 0 40 GJAB Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(-c3ccncc3)ccc12 2339313 WMQPBURMVIMYHU-UHFFFAOYSA-N 398.850 4.985 0 40 GJAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(Nc3ccccc3F)s2)cc1 2629612 YPIJPTOQVLEFPC-LLVKDONJSA-N 389.477 4.793 0 40 GJAB CC(C)(C)C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 3441994 IWPKLFVJSKXAOG-UHFFFAOYSA-N 375.881 4.888 0 40 GJAB O=C(CN1C(=O)C[C@@H](c2ccco2)Sc2ccccc21)Nc1ccccc1F 4162829 GOLIVJCASUVNAR-IBGZPJMESA-N 396.443 4.628 0 40 GJAB aggregator Cc1cc2nc3n(c2cc1C)[C@]1(Nc2ccccc2-3)C(=O)Nc2ccc(F)cc21 4708061 QCMRCYKEEPYMLX-QHCPKHFHSA-N 384.414 4.538 0 40 GJAB Cc1ccc(S(=O)(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 4727414 WWSOTWYIPZEDDC-XWFFHEKESA-N 389.520 4.571 0 40 GJAB COc1ccc(CN2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)cc1 4740089 WEVLMYTWRUKRKD-DEOSSOPVSA-N 382.463 4.932 0 40 GJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(C)cc1)OCO3 4849533 JGEUEHAJSCJFRW-UHFFFAOYSA-N 380.469 4.565 0 40 GJAB Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)nnc3c2c1 4976296 SBWCSGINEWMPHH-UHFFFAOYSA-N 397.891 4.507 0 40 GJAB Cc1cccc(C)c1-n1nnnc1SCc1csc(-c2ccccc2)n1 5391528 XOHUAFXVWUGFEJ-UHFFFAOYSA-N 379.514 4.695 0 40 GJAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 5937606 RXGGYVHASHQRKV-UHFFFAOYSA-N 397.277 4.552 0 40 GJAB COc1cc2sc(NC(=O)c3ccc(OC(C)C)cc3)nc2cc1Cl 6307254 UAASURTUFRPTQB-UHFFFAOYSA-N 376.865 4.998 0 40 GJAB COc1ccc(SCc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)cc1 6657502 RGCLSSDTCVIBEO-UHFFFAOYSA-N 380.494 4.953 0 40 GJAB Cc1cccc(COc2ccc([C@@H]3S[C@@H](C)C(=O)Nc4[nH]nc(C)c43)cc2)c1 6678692 UCHWIYCNBSNFAQ-YWZLYKJASA-N 393.512 4.769 0 40 GJAB COc1ccc(Cc2nc3c4c(C)c(C)n(C5CCCCC5)c4ncn3n2)cc1 6759745 ZMILOHLILQBAIV-UHFFFAOYSA-N 389.503 4.800 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1 6812335 JMCTYATXGGJKNJ-SFHVURJKSA-N 393.487 4.558 0 40 GJAB O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)c1ccccc1F 6907575 RZXPNQGUJWUDJX-UHFFFAOYSA-N 396.468 4.561 0 40 GJAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3F)c12 7004114 BLAXFPWAYUSJTJ-UHFFFAOYSA-N 386.430 4.998 0 40 GJAB aggregator N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NC1CCCC1 7098718 MKGVHWTXFBDCRU-AQTBWJFISA-N 387.458 4.794 0 40 GJAB COc1ccccc1OCCSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 7342029 ATYLKLVPZSUJCB-UHFFFAOYSA-N 396.299 4.958 0 40 GJAB COC(=O)c1ccc(COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)cc1 7778707 VUUMSKNCUQBRFW-CPNJWEJPSA-N 396.439 4.958 0 40 GJAB COc1ccc(-n2c(SCCC(C)=O)nnc2-c2ccccc2)cc1Cl 8392862 VWUOQWCHUQADJA-UHFFFAOYSA-N 387.892 4.668 0 40 GJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2ccccc2)o1 8496612 YSBMCJVWQJYNSJ-UHFFFAOYSA-N 378.457 4.620 0 40 GJAB COc1ccccc1[C@@H](CC(=O)N(C)[C@H]1CCOC(C)(C)C1)c1ccccc1 8991294 ZDYLSNYRCQNAFN-FPOVZHCZSA-N 381.516 4.633 0 40 GJAB Cc1c(OS(=O)(=O)c2cccs2)ccc2c(-c3ccccc3)cc(=O)oc12 10519154 BZBBUBQPKXHWAV-UHFFFAOYSA-N 398.461 4.598 0 40 GJAB Cc1nc(SCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)n(CC(C)C)c1C 11306734 REHRAUVFKHWLIM-HXUWFJFHSA-N 391.556 4.901 0 40 GJAB COc1ccc(N(Cc2cccs2)C(=O)COc2cc(C)cc(C)c2)cc1 11916524 JAWIJNRUMMPEEH-UHFFFAOYSA-N 381.497 4.986 0 40 GJAB Cc1ccc([C@@H](NC(=O)Nc2ccccn2)C(Cl)(Cl)Cl)cc1F 12524204 FQZGBJAOCSAPDK-CYBMUJFWSA-N 376.646 4.762 0 40 GJAB O=C(NCc1coc(-c2cccs2)n1)c1cc(Br)ccc1Cl 12777039 CIWSVHYPPJNEHM-UHFFFAOYSA-N 397.681 4.749 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)COc2cc(Cl)ccc2Cl)cc1 12988526 BTJSMSMAUJESFX-QGZVFWFLSA-N 380.271 4.745 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14665359 OTCQRLGALRFYMJ-INIZCTEOSA-N 396.531 4.918 0 40 GJAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 14701360 XFVKTEYRSGEJSP-QFIPXVFZSA-N 391.492 4.907 0 40 GJAB COc1ccccc1C(=O)Nc1ccc(OC(=O)Cc2ccccc2Cl)cc1 15567738 LECBIEMAUPTZLV-UHFFFAOYSA-N 395.842 4.749 0 40 GJAB O=C(/C=C/c1ccco1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 16515976 DGFQZJPRUVZEFY-OUKQBFOZSA-N 387.414 4.601 0 40 GJAB c1csc([C@@H](c2nnnn2C2CCCC2)N2CCCC3(CCCCC3)C2)c1 20098403 CZUOQFOYBRXZRA-IBGZPJMESA-N 385.581 4.985 0 40 GJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OCC)cc3)sc2c1 20411433 NYSUBHQMVTYTIG-UHFFFAOYSA-N 398.484 4.904 0 40 GJAB COc1ccccc1CN(C)C(=O)CSCc1c(Cl)cccc1Cl 20489389 ALBVVLOOWHEKBC-UHFFFAOYSA-N 384.328 4.894 0 40 GJAB O=C1CN(C(=O)c2oc3ccccc3c2COc2ccccc2)c2ccccc2N1 22064306 SCYGBSCRFPBNCG-UHFFFAOYSA-N 398.418 4.611 0 40 GJAB Clc1ccc(-c2n[nH]cc2CNC[C@@H](c2ccccc2)N2CCCC2)cc1 22925137 FXBCMYPTJCPPHL-NRFANRHFSA-N 380.923 4.657 0 40 GJAB O=C(C[C@@H](C(=O)O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 24992635 ZKBRXMNAIMJYPR-GFCCVEGCSA-N 389.732 4.695 0 40 GJAB Cc1ccc(CCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1Cl 25383920 HXDXUXRVKVTWHM-GOSISDBHSA-N 376.953 4.596 0 40 GJAB C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cc(Br)cn1 28304445 DEIZTLILQCDSPM-ZETCQYMHSA-N 396.594 4.518 0 40 GJAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C1CC1 28537746 KBMSRJYECATATB-UHFFFAOYSA-N 396.491 4.712 0 40 GJAB Cc1ccc(NC(=O)CSc2ncnc3c2[nH]c2ccccc23)cc1Cl 33172393 LEVTXVWMSDLAAG-UHFFFAOYSA-N 382.876 4.804 0 40 GJAB Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2c(C)noc2C)c1 35671696 OBRIERMCOKKKIH-UHFFFAOYSA-N 389.411 4.851 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(N2CCCC2=O)c1 36140935 YTLCDCMZZNRCLD-UHFFFAOYSA-N 382.769 4.738 0 40 GJAB CCC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078826 LUTPMLXWGVBNEU-OAHLLOKOSA-N 384.907 4.851 0 40 GJAB CC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccccc1OC 48303975 OIRHAWVMUXZMNK-QGZVFWFLSA-N 384.476 4.768 0 40 GJAB CCN(CC)Cc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)o1 49592398 XBWFWMGQDVFUBW-LJQANCHMSA-N 382.508 4.515 0 40 GJAB c1ccc(COc2ccc(-c3noc(CN4CCc5ccccc5C4)n3)cc2)cc1 57427749 OTXPAGRANNURTI-UHFFFAOYSA-N 397.478 4.874 0 40 GJAB CCc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)no1 57486796 IQFAXMLXRDIJRZ-UHFFFAOYSA-N 386.455 4.715 0 40 GJAB CC(C)(C)c1ccc(CN(Cc2ccccc2)Cc2nnnn2C(C)(C)C)cc1 57614052 CQIBVPKDJPXFRE-UHFFFAOYSA-N 391.563 4.928 0 40 GJAB CN(Cc1ccsc1)C(=O)CN(C)[C@H](c1ccccc1)c1ccc(F)cc1 57848368 KXHDRWAINPGECO-JOCHJYFZSA-N 382.504 4.567 0 40 GJAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCCCCOc1ccccc1 58100490 KYRDNPJQFZWNRS-UHFFFAOYSA-N 398.503 4.770 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c(C)c1 59227389 IMMPRGFUVOFDGU-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1cc(Br)cc2cccnc12 59488848 XZMNTRIZZVABMJ-UHFFFAOYSA-N 391.652 4.912 0 40 GJAB Cc1noc(C)c1CN(C)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 66314000 YAOFRZBYFDMATG-UHFFFAOYSA-N 396.299 4.994 0 40 GJAB CCOC(=O)N1CCC(=C2c3cc(Cl)ccc3CCc3cccnc32)CC1 77286457 BTRWFDJXJHWGSK-UHFFFAOYSA-N 382.891 4.888 0 40 GJAB in-vitro O=C(c1cccc(NCc2nnc(-c3ccccc3)o2)c1)N1CCc2ccccc21 79068385 XYNXUVHYAXTOSQ-UHFFFAOYSA-N 396.450 4.552 0 40 GJAB Cc1ncc(CNC(C)C)c2cc(-c3cc(=O)oc4cc5c(cc34)CCC5)oc12 96116493 QWQLBSQETXOVQF-UHFFFAOYSA-N 388.467 4.896 0 40 GJAB biogenic Cc1c(-c2nnc3sc(-c4ccc(N(C)C)cc4)nn23)oc2ccccc12 96194233 RDWCIKROJFSGRS-UHFFFAOYSA-N 375.457 4.640 0 40 GJAB Cc1cc2occ(CC(=O)OCC(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c2cc1C 102218624 PHRDYACWNDDQES-MHECFPHRSA-N 397.515 4.563 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccccn2)C[C@H](c2ccc(Cl)cc2)C1 102752928 CDAUPVNDJBUNPR-SGTLLEGYSA-N 393.834 4.747 0 40 GJAB O=C(c1cccc(Br)c1)N1CCS[C@H](c2ccccc2)CC1 211141445 GZQKHQYYCOASQQ-KRWDZBQOSA-N 376.319 4.770 0 40 GJAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccc2c(c1)CCCC2 223060054 JDYOYWWJLZZZTH-IBGZPJMESA-N 393.936 4.657 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1C 223162407 HHIUMCCXJGMCNZ-HNNXBMFYSA-N 395.927 4.913 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CC1 225009267 UKLXAHDULKAEIA-NHCUHLMSSA-N 380.561 4.750 0 40 GJAB COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(C)cc2C)ccc1Cl 225476981 RZBTYZJMXCVHAA-CYBMUJFWSA-N 376.909 4.791 0 40 GJAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2ccccc12 225772835 RNBPWVPJUHXBIR-UHFFFAOYSA-N 375.468 4.844 0 40 GJAB CC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(C(=O)O)cc2)C1 257239379 HPBBATBROPRTHC-SVFBPWRDSA-N 387.863 4.526 0 40 GJAB O=C(N[C@@H](c1ccsc1)c1cccs1)C1(c2ccccc2)CCOCC1 390826074 AYFUSROWMJONAD-IBGZPJMESA-N 383.538 4.764 0 40 GJAB COc1ccc(NCc2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 409268124 QBYZKJKHRXLHIP-UHFFFAOYSA-N 376.456 4.633 0 40 GJAB Fc1ccc(OCc2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)cc1 632916 VJMKYIFVBAHKII-UHFFFAOYSA-N 394.353 4.590 0 40 GJAB Cc1cc2cc(CN(C(=S)NCC(C)C)C3CCCCC3)c(=O)[nH]c2cc1C 878851 AECQGBOBKCIYCP-UHFFFAOYSA-N 399.604 4.810 0 40 GJAB CCCc1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1CCCC2 1249378 JAOMGIXXSMDUAC-CYBMUJFWSA-N 382.533 4.662 0 40 GJAB Cc1ccc2c(SCC(=O)NC3CCCC3)nc(-c3ccc(F)cc3)nc2c1 1367693 YRQIXCNCIBVQTQ-UHFFFAOYSA-N 395.503 4.895 0 40 GJAB O=C1CCCC[C@H]1Sc1nnc(COc2ccccc2F)n1-c1ccccc1 2662344 XDIQLEVTGPTLFF-LJQANCHMSA-N 397.475 4.589 0 40 GJAB COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1 3308708 WSXJYEVTDZZALQ-ZDUSSCGKSA-N 383.831 4.686 0 40 GJAB COc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 4289737 RKGOTTUANXLWJE-UHFFFAOYSA-N 389.860 4.942 0 40 GJAB CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccc(C)cc1 4571506 SETXYRQKEFIYTR-DEOSSOPVSA-N 393.531 4.654 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccccc1F 4675819 LXFAZXIBUIMJCD-JOCHJYFZSA-N 390.458 4.895 0 40 GJAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3nc(-c4ccccc4)c(C)s3)C(=O)[C@@H]21 4903306 ONPLRFHNPZGXQL-YJEJQGFLSA-N 378.497 4.600 0 40 GJAB COc1ccccc1NC(=O)[C@@H](C(C)=O)C1c2ccccc2Oc2ccccc21 5060826 JYNMOSGCICFPEZ-QFIPXVFZSA-N 387.435 4.777 0 40 GJAB CCc1ccc([C@@H](NC(=O)COc2ccccc2OC)c2cccs2)cc1 5406129 HLPNNHLAWJLPIK-JOCHJYFZSA-N 381.497 4.604 0 40 GJAB Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1N1CCCCC1=O 5441737 IPHWPQNGZVTJGY-UHFFFAOYSA-N 388.467 4.683 0 40 GJAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)Cc1ccc(Cl)cc1 5750236 QDOLYQOBVREOEV-UHFFFAOYSA-N 376.847 4.564 0 40 GJAB CN(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 6871434 VOSMKHIKFORWKM-UHFFFAOYSA-N 391.906 4.714 0 40 GJAB CC[C@@H](Oc1ccccc1)C(=O)NCCSCc1c(F)cccc1Cl 8041624 NNLZLKGOEAYNGA-GOSISDBHSA-N 381.900 4.686 0 40 GJAB CCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1-c1ccccc1 8080249 HHSOPKSTULRMAI-GYHWCHFESA-N 380.557 4.960 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)cc1 8162638 DSIVBNZOIKAWIY-DEOSSOPVSA-N 399.494 4.914 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1O 8187696 ZDDIEOSREZYPQK-UHFFFAOYSA-N 391.452 4.567 0 40 GJAB C[C@H](NC(=O)/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)c1ccccc1 8280809 LXELVVQKPNZMEQ-QZEGLACASA-N 397.478 4.804 0 40 GJAB Fc1ccc(OCc2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cc1 8393336 WQBKRWOGFQKAQO-UHFFFAOYSA-N 395.246 4.878 0 40 GJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1c1ccccn1 8642683 KJLKVJCJWDEBEK-LJQANCHMSA-N 388.810 4.591 0 40 GJAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1cn2ccccc2n1 8707089 XCIMFVMKBGGLTC-KRWDZBQOSA-N 375.497 4.669 0 40 GJAB Cc1cccc(C(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c1 8959810 MJGSDRRBUSXJSY-UHFFFAOYSA-N 380.488 4.655 0 40 GJAB COc1cccc(C(=O)Nc2nc(-c3cc(C)c(C)cc3NC(C)=O)cs2)c1 9052837 WRWDTBHCYXYBIF-UHFFFAOYSA-N 395.484 4.646 0 40 GJAB C[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 12390388 WIZPIGIYXYPHQS-AWEZNQCLSA-N 375.447 4.552 0 40 GJAB Cc1ccc2nc(S[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)[nH]c2c1 12546496 LTQRZQUGPQRVSE-VIFPVBQESA-N 381.288 4.692 0 40 GJAB C[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc(-n2cncn2)cc1 12783427 JZKTXDDWAANMSB-GXDFBKAQSA-N 394.478 4.685 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc(-c2ccc(C)o2)cs1 12855140 CLMNAQCDOKNJCC-SFHVURJKSA-N 393.468 4.614 0 40 GJAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)cc1OC 12929415 QOYCPJJTSLAFJD-UHFFFAOYSA-N 399.450 4.809 0 40 GJAB COc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)ccc1OC(F)F 12943454 IQEVFPDCHCCGOG-LBPRGKRZSA-N 379.428 4.828 0 40 GJAB O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1sccc1-c1ccccc1 12979603 JZGFSZVZWPSFMZ-UHFFFAOYSA-N 396.855 4.662 0 40 GJAB COc1cc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc(OC)c1 12996514 OWZJUPOCBMFMDT-UHFFFAOYSA-N 395.440 4.529 0 40 GJAB O=C(COc1c(C(=O)O)ccc2ccccc12)Nc1cc(Cl)cc(Cl)c1 13086038 JSCHMLYJRGFMFL-UHFFFAOYSA-N 390.222 4.862 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13685254 MOOMWSPNXUJEJD-QGZVFWFLSA-N 390.483 4.632 0 40 GJAB C[C@H](NC(=O)c1ccccc1NC(=S)Nc1ccccc1)c1ccccc1 13999475 WTPUJOXWNGFTET-INIZCTEOSA-N 375.497 4.987 0 40 GJAB CCc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](c1ccco1)C3 14607779 UFGHSZKWBFUZGH-CYBMUJFWSA-N 392.846 4.513 0 40 GJAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)N(C(C)C)C(C)C)o1 15881589 CFEDFTKWKCLKOX-UHFFFAOYSA-N 382.508 4.535 0 40 GJAB Cc1cccc(NC(=O)N(Cc2ccc(F)cc2)c2nnc3n2CCCCC3)c1 16769852 IUQOUARPWWOGFG-UHFFFAOYSA-N 393.466 4.691 0 40 GJAB Cc1cccc2c(=O)n(CC(=O)Nc3c(C(C)C)cccc3C(C)C)cnc12 18185595 TTWDMGFLUGWISM-UHFFFAOYSA-N 377.488 4.590 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3ccccn3)cc2n1 19452360 FRMGETYOFJAKSI-KRWDZBQOSA-N 389.425 4.604 0 40 GJAB O=C(Cc1ccccc1)N1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19687737 XFMGOTXWVUHLAF-JOCHJYFZSA-N 392.886 4.545 0 40 GJAB CCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1Cl 20035288 PALOLLGDNSOKOM-OAHLLOKOSA-N 377.937 4.719 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)c1 20485949 ZMFWHTSYVLVZDA-HXUWFJFHSA-N 377.440 4.813 0 40 GJAB CSc1nc(C)c(CCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c(C)n1 20929255 SWOWNCFMEWUDID-UHFFFAOYSA-N 389.524 4.958 0 40 GJAB Cc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2)no1 21787683 RNDLLZGDZCZBFL-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB CSc1ccc(CN(C)C(=O)c2ccc(OCc3cccnc3)cc2)cc1 23114112 IWGCMSABDMVMLW-UHFFFAOYSA-N 378.497 4.655 0 40 GJAB COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)cc1 27582647 HIVRLNRHIBMINO-OAQYLSRUSA-N 386.923 4.696 0 40 GJAB biogenic Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 28238721 MNLZYWJGEOUJND-VIFPVBQESA-N 379.304 4.504 0 40 GJAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccc(F)cc3)c3ccccc32)cc1 28535121 GIECPSFRFNPOFF-UHFFFAOYSA-N 387.414 4.612 0 40 GJAB CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 30880204 RGCIEBOMAUQHTG-FUDKSRODSA-N 396.575 4.720 0 40 GJAB biogenic,in-vitro CCc1c(C)sc2nc(NCc3ccco3)n3nc(-c4ccco4)nc3c12 32069479 RVGASGREYHOVAA-UHFFFAOYSA-N 379.445 4.675 0 40 GJAB CC(=O)Nc1ccc(C(=O)CSc2nc(C(C)(C)C)nc3ccccc23)cc1 35312158 ZVFKMZGTIJJIEI-UHFFFAOYSA-N 393.512 4.861 0 40 GJAB COc1ccccc1Nc1c(-c2ccc(OC)c(OC)c2)nc2ccccn12 35616020 ZRXTZQGONYCKBE-UHFFFAOYSA-N 375.428 4.771 0 40 GJAB CCOc1ccc2nc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)sc2c1 40119795 UCUKURPSZCZCJZ-UHFFFAOYSA-N 396.497 4.796 0 40 GJAB CC(=O)N1N=C(c2ccc(C)cc2)O[C@@H]1c1cccc(OCc2ccccc2)c1 41097666 SYGHCSXDSVFNEL-XMMPIXPASA-N 386.451 4.813 0 40 GJAB Cc1cc2nc(-c3cccc(-n4cnnc4)c3C)oc2c(Br)c1C 45920662 HZSRFAHUYDWUAG-UHFFFAOYSA-N 383.249 4.763 0 40 GJAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CN2CCCC2=O)cc1 46588009 GGVDFQIDNDSWHW-UHFFFAOYSA-N 384.435 4.961 0 40 GJAB O=C(CNCc1cccnc1)N1c2ccccc2Sc2ccc(Cl)cc21 55364336 LZILFWOKIICEDH-UHFFFAOYSA-N 381.888 4.654 0 40 GJAB CC(C)c1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc23)cc1 64471664 JUPDXEIYXPGUBZ-UHFFFAOYSA-N 393.462 4.713 0 40 GJAB O=C(CCc1ccccc1)NC1CCN(Cc2csc(C3CCCC3)n2)CC1 71843979 MAXHBJAKURPUEK-UHFFFAOYSA-N 397.588 4.514 0 40 GJAB O=C(COc1ccccc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72357781 RGSHRFMKPVTCHC-QHCPKHFHSA-N 390.458 4.554 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)C12CCCCC2 72400502 FBEPIJCMTHMDHT-UTKZUKDTSA-N 391.515 4.761 0 40 GJAB Cc1cccnc1NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 72404112 GCERTAMQBHMFSB-OAHLLOKOSA-N 379.287 4.847 0 40 GJAB O=C(c1cc(-c2ccccc2)on1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 84560077 VMSDFVZZELOCHJ-IRLDBZIGSA-N 390.483 4.850 0 40 GJAB O=C(Nc1ccc(F)cc1)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 100424756 LORWTYLDWLFQRZ-SFTDATJTSA-N 385.458 4.672 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCCC2 102618071 DQLMUSMXKADYPB-OFQRWUPVSA-N 375.534 4.957 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3C(=O)[C@H](O)[C@@]21C 118922764 VRBYSRPMDFKSTP-JASIRMBXSA-N 390.564 4.686 0 40 GJAB Cc1cc(OCC(=O)NCCSCc2ccccc2Cl)ccc1Cl 218936285 KTDLRTNVXZFNEU-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(OC)c(OC)c1 222857138 ZVVBZISQKLUQTJ-KBXCAEBGSA-N 391.895 4.700 0 40 GJAB CC(C)CSc1nnc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)s1 224026969 HYBYSLFAMVGNDR-ZDUSSCGKSA-N 387.530 4.845 0 40 GJAB Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)cc1 224874605 CDFUMWCZIKSNDA-UHFFFAOYSA-N 399.288 4.662 0 40 GJAB O=C(c1ccc(Oc2nccs2)cc1)N1CCN(c2ccccc2Cl)CC1 225636558 OMFQMFKJLJPFJI-UHFFFAOYSA-N 399.903 4.551 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OCC 225675474 QMSOWYBPNSIODU-UHFFFAOYSA-N 381.472 4.713 0 40 GJAB COc1cc(/C=C/c2nnc(N)o2)ccc1OCc1ccc(Cl)c(Cl)c1 226338633 RZKLFFUHJPVIHQ-QPJJXVBHSA-N 392.242 4.717 0 40 GJAB O=C(Nc1cc(Br)ccc1-c1ccc(C(=O)O)o1)c1ccccc1 226356669 NKLCRSZAZVVRED-UHFFFAOYSA-N 386.201 4.660 0 40 GJAB Cc1cc(OCC(=O)Nc2c(C)cc(N)cc2Br)cc(C)c1Cl 227145501 IYBUGHRNTXVZTN-UHFFFAOYSA-N 397.700 4.627 0 40 GJAB C[C@H]1CC[C@H]2[C@H](O1)c1ccc(OCC(=O)OCc3ccccc3)cc1OC2(C)C 257333045 XZVXXZNDTQSAEN-ITSWEJNFSA-N 396.483 4.836 0 40 GJAB C/C(=C\c1cc(Br)ccc1OC(=O)c1ccc(C)cc1)[N+](=O)[O-] 408533745 KPTWWJINWYNQGT-FMIVXFBMSA-N 376.206 4.614 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(C)c3)[C@@](O)(C(F)(F)F)[C@H]2C1 409349511 UAPNWCKVYBDFJC-GUXCAODWSA-N 396.453 4.910 0 40 GJAB O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 507388449 FZMPEFHKKYSIFF-YCAMKHIRSA-N 388.511 4.937 0 40 GJAB CC[C@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1nc(C(F)(F)F)cs1 525799819 SVCCZNIFDWDZIP-NSHDSACASA-N 399.369 4.837 0 40 GJAB Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1NC(=O)NC(C)(C)C 607104460 GVQKGLVQZGEDCF-IBGZPJMESA-N 379.504 4.722 0 40 GJAB CCc1ccc2c(c1)[C@]1(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN31)C(=O)N2 934750 RKENTDBSUSWXHA-DHLKQENFSA-N 395.462 4.598 0 40 GJAB CCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3c(C)cc(C)cc23)c1 949072 QBJWDIMHBADULF-UHFFFAOYSA-N 392.455 4.949 0 40 GJAB Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC(C)(C)C)c2c1 1367467 BMHHIMIVQUJOMH-UHFFFAOYSA-N 383.492 4.751 0 40 GJAB Cc1ccccc1NC(=O)c1sc(NC(=O)c2ccccc2Cl)nc1C 1378910 LTIVGKANDPQGHP-UHFFFAOYSA-N 385.876 4.918 0 40 GJAB CCOc1ccccc1-c1csc(NC(=O)/C=C/c2ccc(OC)cc2)n1 1791151 LFPBUJHGMSYCLD-JLHYYAGUSA-N 380.469 4.869 0 40 GJAB CCCOC(=O)c1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 1809052 KNPATUHOIUYTBK-LGMDPLHJSA-N 388.261 4.628 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(C)s2)c2ccccc2)c1 3368160 NXJGIZNUUPTYRX-QGZVFWFLSA-N 383.498 4.521 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)CSC3CCCCC3)n2)c1 3440916 RVVIGZDTEGDUME-UHFFFAOYSA-N 392.546 4.832 0 40 GJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(=O)c2ccccc2o1 4033918 WQFUQZUXXZWATG-UHFFFAOYSA-N 381.391 4.589 0 40 GJAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(F)cc4)c(C)s3)C(=O)[C@@H]21 4651917 MXZBUTLPJRKJDV-MVJTYMMSSA-N 396.487 4.739 0 40 GJAB CCOc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 4689662 MRCAEFRQWYSUSR-QZTJIDSGSA-N 399.292 4.586 0 40 GJAB COc1cccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)no2)c1 4880793 PZJIWLKMJJDPMB-UHFFFAOYSA-N 378.306 4.501 0 40 GJAB O=c1c(Cl)c(NC2CCCCCC2)cnn1C12CC3CC(CC(C3)C1)C2 4924822 CPWVQQXPCDUOPS-UHFFFAOYSA-N 375.944 4.957 0 40 GJAB Fc1cccc(F)c1CSc1nnc(-c2ccncc2)n1Cc1ccco1 5072230 CXOSAMLGQGYHSW-UHFFFAOYSA-N 384.411 4.552 0 40 GJAB CCc1ccc(C(=O)[C@@H](C)Sc2nnc3c(Cl)cc(Cl)cn23)cc1 6099373 XPCDPCAFEXSSMM-SNVBAGLBSA-N 380.300 4.962 0 40 GJAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccccc1Oc1ccccc1 7039216 VAPPACXUXXSSSM-NRFANRHFSA-N 375.472 4.593 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)s1 7844553 XNDKDNYJBHMUHN-UHFFFAOYSA-N 375.544 4.610 0 40 GJAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(Br)cc1 8188990 OKFPSDCSTMEAFJ-JTQLQIEISA-N 392.322 4.616 0 40 GJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c(C)c1 10334321 GHIOAFGSHHGUDU-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccccc1C(=O)N1CCC[C@@H](c2cc3c(C)c(OC)ccc3cn2)C1 12187848 QSQWJZRUMLQYNX-GOSISDBHSA-N 390.483 4.580 0 40 GJAB Cc1ccsc1-c1nnc2sc(-c3cccc(Br)c3)nn12 12409478 FAHXQNRYYCXIRI-UHFFFAOYSA-N 377.292 4.652 0 40 GJAB CCOc1cc2c(cc1CNC(=O)c1cccc(Cl)c1Cl)O[C@H](C)C2 12786334 BERSYSZNXVMIDH-LLVKDONJSA-N 380.271 4.646 0 40 GJAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12793466 BIMDJEMJGDIUBU-SBLNNXNXSA-N 387.838 4.627 0 40 GJAB CSc1nc(-c2cccs2)nc(C)c1C(=O)N[C@@H](C)c1ccc(F)cc1 12814103 NJDXJCUNSBLWEY-NSHDSACASA-N 387.505 4.866 0 40 GJAB CCCCCc1ccc(NC(=O)[C@@H](C)n2c(=S)[nH]c3ccccc3c2=O)cc1 12814234 QOOXJLCLHRZYBR-OAHLLOKOSA-N 395.528 4.991 0 40 GJAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)o2)cc1 13149919 LEQMFNBRSQWLGA-UHFFFAOYSA-N 389.436 4.920 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 13994709 FERFFKYVMFHSSI-OAHLLOKOSA-N 387.501 4.518 0 40 GJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14024239 KRDHYVZCTBRKEK-NRFANRHFSA-N 380.488 4.545 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CCOc4ccccc43)o2)cc1C 14780403 VHIDFVDWUFNSQI-LJQANCHMSA-N 376.456 4.531 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 14908924 AOWCYPPKCPXKKZ-UHFFFAOYSA-N 382.641 4.532 0 40 GJAB Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(F)cc3)c2-c2ccccc2)cc1 16311680 KKHCQDKDYGYJKT-UHFFFAOYSA-N 396.429 4.630 0 40 GJAB O=c1c2cc(Cc3ccccc3)sc2[nH]c(=S)n1Cc1ccc(F)cc1 17078102 SJKCAPZCTBYZOR-UHFFFAOYSA-N 382.485 4.899 0 40 GJAB O=C(Nc1ccc(NC(=O)n2cnc3ccccc32)cc1)n1cnc2ccccc21 19075249 TUORCKCAXIXHRZ-UHFFFAOYSA-N 396.410 4.546 0 40 GJAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1OC 20411923 RXKVNRGWBPIYEM-UHFFFAOYSA-N 392.386 4.903 0 40 GJAB Cc1ccc(CN(C)C(=O)COc2ccc3ccccc3c2Br)cc1 20484536 XESDQUNWVBPXIB-UHFFFAOYSA-N 398.300 4.948 0 40 GJAB C[C@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)Cc1ccccc1 25766555 GSWIHQQYLGPJQT-GOSISDBHSA-N 385.554 4.711 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2nc3ccccc3[nH]2)cc1 28794615 CRGIPXNMLWJNHP-NRFANRHFSA-N 377.488 4.648 0 40 GJAB Cc1nc(Cc2nn3c(-c4cc(Cl)ccc4Cl)nnc3s2)cs1 36357618 FRHZLLDKLIQRPM-UHFFFAOYSA-N 382.301 4.515 0 40 GJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)NCc3ccccc3)ccc1O2 36705422 TVILROAWIOQNKL-UHFFFAOYSA-N 387.439 4.699 0 40 GJAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849294 NENFYBNKTXYFOR-CQSZACIVSA-N 381.278 4.983 0 40 GJAB Cc1cc2nnc(SC(c3ccc(F)cc3)c3ccc(F)cc3)n2c(C)n1 41723076 NDZUQOYEQINPKN-UHFFFAOYSA-N 382.439 4.901 0 40 GJAB O=C(Cc1cc(-c2ccco2)on1)NCCC(c1ccccc1)c1ccccc1 49342686 ZQBIJWMDVZCGAJ-UHFFFAOYSA-N 386.451 4.816 0 40 GJAB Cc1ccc(CN(Cc2ccncc2)Cc2cncc3c(Cl)n[nH]c23)cc1 57797095 MDUQDAPESQKMBH-UHFFFAOYSA-N 377.879 4.517 0 40 GJAB CCC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 58173971 LRDIBBGVWQKYGZ-CABCVRRESA-N 384.467 4.969 0 40 GJAB O=C(NCCc1nccn1CC(F)(F)F)Nc1cccc(-c2ccsc2)c1 69681477 DGHWKKAQYUPZLQ-UHFFFAOYSA-N 394.422 4.538 0 40 GJAB CCOC(=O)c1sc2ncnc(N[C@H]3CCC[C@@H](C(F)(F)F)C3)c2c1C 71795516 KWLWEDYYNDSHCL-MNOVXSKESA-N 387.427 4.709 0 40 GJAB C[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)S(=O)(=O)c1ccc(F)cc1 84069917 PWOSODLDYNOCBW-ZDUSSCGKSA-N 397.427 4.526 0 40 GJAB CC(C)(C)Cc1noc2ncc(C(=O)Nc3ccccc3N3CCCC3)cc12 84169943 JDARYJMQOYEDDE-UHFFFAOYSA-N 378.476 4.664 0 40 GJAB CC1=NN(c2ccc(C(=O)Nc3nn(-c4ccccc4Cl)cc3C)cc2)CC1 92647538 KJOAXIXYHRRBAL-UHFFFAOYSA-N 393.878 4.672 0 40 GJAB O=C(Nc1sc(C2CC2)nc1-c1ccccc1)N[C@@H](CCO)c1cccs1 95427218 NRHCNPNDPUBSGR-HNNXBMFYSA-N 399.541 4.994 0 40 GJAB C[C@H](c1ccccc1)[C@](C)(O)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 95963496 MKRHXCJVRQQFHY-SZNDQCEHSA-N 385.847 4.593 0 40 GJAB Cc1ccc(C(=O)CN(C2=NCCS2)c2ccc(Br)cc2)cc1 98027840 DYPJCOIKFRUHAY-UHFFFAOYSA-N 389.318 4.550 0 40 GJAB CSc1ccc(NC(=O)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 100419817 KLUCXZWHVIVPDN-PMACEKPBSA-N 399.535 4.865 0 40 GJAB C[C@@H](NC(=O)c1cc(Br)ccc1OC(F)F)[C@H]1C[C@@H]2CC[C@@H]1C2 102003651 NCROOAVJCNIGNZ-PRULPYPASA-N 388.252 4.605 0 40 GJAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(F)F 106680907 MIYJNHRWCBNCIE-YBEGLDIGSA-N 391.395 4.533 0 40 GJAB COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1OC 169702383 ZDNWPEVWMMJZJR-DPHXSFOESA-N 379.456 4.699 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 222987603 WTAKUYBBZXCZSP-LEWJYISDSA-N 376.529 4.645 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)ccc1Cl 222998110 GVZYLUMPTRQVAA-IBGZPJMESA-N 389.879 4.930 0 40 GJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1C(C)C 223389866 CPSVVONTCKSWOL-OAHLLOKOSA-N 379.497 4.614 0 40 GJAB CC(C)Sc1nnc(NC(=O)c2ccccc2OCc2ccccc2)s1 224098232 UUEMZVOYOJHZLV-UHFFFAOYSA-N 385.514 4.870 0 40 GJAB COc1ccc(C(=O)NCc2ccco2)cc1COc1cccc2ccccc12 224299560 PJKDJWFNKPARNK-UHFFFAOYSA-N 387.435 4.950 0 40 GJAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224611310 RUDVJVFXPZENPE-UHFFFAOYSA-N 388.316 4.834 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1F 224989546 WLBSJUAZRLMJGN-UHFFFAOYSA-N 381.900 4.686 0 40 GJAB COc1cccc(NC(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 225764795 KYGAAJSTNZSMAU-UHFFFAOYSA-N 394.475 4.707 0 40 GJAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCCCC1 225851329 JDVAQQJAEOHCLQ-MRXNPFEDSA-N 391.508 4.719 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225872894 IHJOQZYVKZNLKA-QGZVFWFLSA-N 394.515 4.501 0 40 GJAB COc1ccc(Br)c(C(=O)N[C@@H](C)Cc2cc3ccccc3o2)c1 239593135 DQSDXVARSBYISS-LBPRGKRZSA-N 388.261 4.565 0 40 GJAB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)NC(CO)CO 255996711 QHELXIATGZYOIB-LIJGZOPESA-N 377.569 4.602 0 40 GJAB CC1(C)[C@H](NC(=O)c2ccccc2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257310992 UHLOURLLPOUYIR-MXDNHJOGSA-N 375.512 4.999 0 40 GJAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 260912234 APEXTNAXSUPPOK-JTSKRJEESA-N 396.962 4.918 0 40 GJAB O=S(=O)(NCCSc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 409027578 MCBPHKVGRBRSCI-UHFFFAOYSA-N 396.748 4.717 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N(C)C2=S)cc1 409040971 IUYYQERXEXAWIQ-ZHZULCJRSA-N 380.513 4.813 0 40 GJAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1Br 409108072 UWDGRJSGPRVTSE-RSYJBZMQSA-N 384.295 4.683 0 40 GJAB Cc1cc2oc(C(=O)Nc3ccccc3N3CCN(C)CC3)c(C)c2cc1Cl 526052271 NVIBBOALCHMUHQ-UHFFFAOYSA-N 397.906 4.707 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1cnc(C3CC3)o1)CC2 628120462 OOQJIBFLPPZOOO-HSZRJFAPSA-N 390.483 4.717 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4)c(N)c3cc2C1 661870 UTMCUTBNUIEDNE-LBPRGKRZSA-N 381.501 4.654 0 40 GJAB Cn1c2ccccc2c2cc([C@H]3N[C@@H](C(=O)O)Cc4c3[nH]c3ccccc43)ccc21 1787672 NGQNWWAYSMYTDE-NFBKMPQASA-N 395.462 4.501 0 40 GJAB biogenic CCCCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3ccccc3nc21 2429038 ZOAPRMWEEHEMTF-UHFFFAOYSA-N 388.471 4.574 0 40 GJAB Brc1cc(-c2ccccc2)ccc1OCc1cn2cccnc2n1 2708241 JZSQGMMZLBKSPJ-UHFFFAOYSA-N 380.245 4.738 0 40 GJAB Cc1cccc(C)c1-n1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O 3280094 UVTJRLHXFHSKKO-UHFFFAOYSA-N 380.513 4.710 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 3422810 BOXIEPFBKJVZST-OAHLLOKOSA-N 391.298 4.793 0 40 GJAB COC(=O)c1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12 4354681 ZFNDVARRAOEESZ-UHFFFAOYSA-N 387.258 4.765 0 40 GJAB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@H]1CCCc2ccccc21 4602273 HHLWYPFREURVHQ-UGSOOPFHSA-N 397.475 4.550 0 40 GJAB COc1ccc(C(=O)CCCCCCC(=O)c2ccc(OC)cc2O)c(O)c1 5916322 YOKJOKWNDVOFTQ-UHFFFAOYSA-N 386.444 4.521 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 6042695 JQJVSWKXGIBKHE-CQSZACIVSA-N 375.852 4.703 0 40 GJAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(-n2ccnc2)cc1 7128460 RNPSBOUNPRMDFY-QHCPKHFHSA-N 396.450 4.652 0 40 GJAB Cc1ccc(CN(C)Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)c(C)c1 7674426 DIVRBVSMYFKNOO-UHFFFAOYSA-N 389.524 4.900 0 40 GJAB COc1ccc(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 7687426 YEAJCRLABNKGQB-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(N2CCCCCC2)cc1 8135350 UIEZCIRQQHQQDO-UHFFFAOYSA-N 380.517 4.674 0 40 GJAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2cccc(C)c2)cc1OC 8414521 MNJWRMFUNDNSBF-UHFFFAOYSA-N 380.488 4.674 0 40 GJAB CSc1nc(-c2ccc(Cl)cc2)cn1NC(=S)NCc1ccccc1 8706579 MYJXDXZJAMCFTL-UHFFFAOYSA-N 388.949 4.544 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)NCCCCOc2ccc(F)cc2)cc1 9513896 IEWVIWKATLUMLL-OAQYLSRUSA-N 386.467 4.540 0 40 GJAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc2noc(-c3ccccc3)c2c1 10214479 YYVROVDLEBLNJN-UHFFFAOYSA-N 397.434 4.874 0 40 GJAB COc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccc(C)cc1)OC2=O 11666561 DOHDLWURFSAWHE-QFIPXVFZSA-N 387.435 4.710 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 12062733 IHBDPOPPQJTNHH-INIZCTEOSA-N 395.459 4.548 0 40 GJAB C1=C(CN2CCC3(CC2)Nc2ccccc2-n2cccc23)COc2ccccc21 12117275 WQKHIIVPIOISGD-UHFFFAOYSA-N 383.495 4.670 0 40 GJAB CCN(CC)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 12588744 LOGIXRGZWPICRQ-UHFFFAOYSA-N 377.444 4.630 0 40 GJAB c1csc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2ccsc2)n1 13266578 ILHLVWMMPITMDO-UHFFFAOYSA-N 394.481 4.669 0 40 GJAB O=C(Nc1cccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)c1)C1CC1 14249360 RFJRGFSRVSIAPW-UHFFFAOYSA-N 378.453 4.597 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14400272 LDIUUEMGEBMCSP-INIZCTEOSA-N 382.504 4.530 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)[nH]n2)cc1 14527138 MYNZOWVEYBWMQL-AWEZNQCLSA-N 376.485 4.828 0 40 GJAB CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@H](c2ccc(C(=O)O)cc2)S1 15107537 AWYOCMWRIHVDKF-SFHVURJKSA-N 381.432 4.904 0 40 GJAB Cc1nc([C@@H]2CCN(C3CCCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19753419 QRCPWHMIRJBENU-MRXNPFEDSA-N 398.938 4.813 0 40 GJAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(CCc1cccs1)C3 20624951 RJPRVPRNNQLEMW-UHFFFAOYSA-N 389.476 4.916 0 40 GJAB biogenic C[C@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)NCc1ccco1 20882554 RLAFIDPNKQYXJJ-ZDUSSCGKSA-N 395.509 4.748 0 40 GJAB Cc1ccc2nc(C)cc(C(=O)O[C@H](C)C(=O)Nc3c(C)cccc3C)c2c1 21604514 ADVVRPLMTZQWJT-QGZVFWFLSA-N 376.456 4.652 0 40 GJAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(OCc2ccccc2Cl)c1 22258071 VOGVUENESFRFHN-UHFFFAOYSA-N 395.842 4.943 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN(C(=O)C(C)C)C3)ccc21 24975213 IWIHBWWRWLIVKZ-QGZVFWFLSA-N 391.515 4.648 0 40 GJAB CCOc1ccccc1N[C@@H](NC(=O)c1cccs1)C(=O)c1ccc(C)cc1 27020544 UTMXIVRLPCUDLL-NRFANRHFSA-N 394.496 4.506 0 40 GJAB CC(=O)c1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)cc1 32117798 NGLGQNFLQRXRED-UHFFFAOYSA-N 393.390 4.661 0 40 GJAB CC(C)c1ccc([C@H](NC(=O)c2ccc3[nH]nnc3c2)c2cccs2)cc1 32459857 OOWNSWRBMXJVGA-FQEVSTJZSA-N 376.485 4.662 0 40 GJAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H]1c1cccs1 32797667 ZFHXGNDKKHTOQN-LBPRGKRZSA-N 395.855 4.946 0 40 GJAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)C1(c2cccs2)CCCC1 38754149 QXEZCNZRTSSHHD-UHFFFAOYSA-N 388.439 4.810 0 40 GJAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccc(F)cc2)[nH]n1 40478338 OKCLSYPUINWMKJ-UHFFFAOYSA-N 385.398 4.699 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 43192741 QBFPOJGFARRKSW-INIZCTEOSA-N 390.365 4.831 0 40 GJAB Cc1cc(C)c(-c2csc(NC(=O)c3cn(C)nc3C(F)(F)F)n2)cc1C 47197465 URBPQRCQSAVOOM-UHFFFAOYSA-N 394.422 4.740 0 40 GJAB Cc1ccc2c(Nc3ccc(C)c(Cl)c3)c(C(=O)N3CCCC3)cnc2n1 49004559 MUPPKODCJWJBIU-UHFFFAOYSA-N 380.879 4.880 0 40 GJAB Fc1ccc(-c2nnc(C3(c4cccc(C(F)(F)F)c4)CCOCC3)o2)cc1 71889750 ZNCHCQVSZPORMU-UHFFFAOYSA-N 392.352 4.991 0 40 GJAB COc1cc2c(cc1NC(=O)N1CCOC[C@@H]1CC(C)C)oc1ccccc12 79305972 XYZBHGGPHDFYHH-HNNXBMFYSA-N 382.460 4.873 0 40 GJAB C[C@H](Cc1ccccc1)CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 96013603 ZBHRLUQFCGHCRD-OAQYLSRUSA-N 390.571 4.768 0 40 GJAB COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2c(Cl)cc(Cl)cc23)cc1 101085262 OCOHCTTYVRVADG-MAUKXSAKSA-N 379.243 4.772 0 40 GJAB COc1cccc(NC(=O)c2ccccc2NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 102329049 YQQNHGIAXXHICB-YESZJQIVSA-N 378.472 4.712 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1Cl 103718802 ZXVMKJOVBSXQGG-LBPRGKRZSA-N 396.796 4.659 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccccc2SC)c(Br)c1 218862319 WWTDWNPSKJDLNW-UHFFFAOYSA-N 380.307 4.751 0 40 GJAB Cc1cc(C)c(C)c(OCC(=O)NCCSCc2ccccc2Cl)c1 218964697 CURXPFPUILRCNB-UHFFFAOYSA-N 377.937 4.694 0 40 GJAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 222846214 GLCPDGUGRBGFSH-VQTJNVASSA-N 381.476 4.862 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)cc1Cl 222998197 ZTVAZBOHNZOCCN-LJQANCHMSA-N 389.879 4.930 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc(C)cc1 224124582 MEDSZAKZIQCNBO-UHFFFAOYSA-N 391.423 4.564 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C(C)C 224637225 HKTQJQKVZCWXMN-UHFFFAOYSA-N 396.512 4.605 0 40 GJAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)COC)c(Cl)c2)CCC(C)CC1 225721721 JQNSVVDWZOEIEL-CHWWFWEZSA-N 383.916 4.678 0 40 GJAB COCCCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C1=O 409250667 RONHSEWBDKTXCU-SFQUDFHCSA-N 390.892 4.512 0 40 GJAB C[C@H](c1cccc2ccccc12)N1CCC(c2cc(C3CCNCC3)[nH]n2)CC1 662328754 UWMQOZISSSOWMU-GOSISDBHSA-N 388.559 4.971 0 40 GJAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccc(Cl)c1 623794 RWLBOTVCABOMIC-UHFFFAOYSA-N 383.238 4.980 0 40 GJAB CCOc1cc(CNc2ccc(NC(=O)C(C)C)cc2)cc(Cl)c1OC 624012 DDDOASSKBDXJHZ-UHFFFAOYSA-N 376.884 4.954 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)ccc21 702857 FMQSFXLYUGDCOT-BJKOFHAPSA-N 390.483 4.875 0 40 GJAB CCOc1ccc(-c2csc3ncn(-c4ccc(OC)cc4)c(=O)c23)cc1 798294 AOUXHAWIJPBGJT-UHFFFAOYSA-N 378.453 4.522 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 1364278 OQXYESWOUBIQCA-UHFFFAOYSA-N 389.480 4.870 0 40 GJAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccccc1N1CCOCC1 2623164 JAXKPSXHQFIAAC-UHFFFAOYSA-N 397.327 4.561 0 40 GJAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1sccc1C 3339615 QBGIIBIGHKKYTI-UHFFFAOYSA-N 385.316 4.854 0 40 GJAB Clc1ccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)c(Cl)c1 4776378 RPUJEUGVLSAOGR-UHFFFAOYSA-N 391.239 4.555 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2cccs2)c1 5259033 AUHVODKDNJKREC-UHFFFAOYSA-N 395.871 4.661 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccc(F)cc3)n2)cc1 5556561 MNWZUAHMQMKXBI-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB COc1ccccc1C(=O)CSc1nnc(Nc2c(C)cccc2C)s1 5694650 KMKBUBRVVIUBFX-UHFFFAOYSA-N 385.514 4.882 0 40 GJAB CN(CCN(C)C(=O)Nc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 6226773 NTXIVQIHJBKFCV-UHFFFAOYSA-N 395.290 4.621 0 40 GJAB CCCN1C(=O)S/C(=C/c2cccc(OCCOc3ccccc3)c2)C1=O 6323963 OQWHIXIQWZGOAN-XDJHFCHBSA-N 383.469 4.591 0 40 GJAB COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 6380985 XOZQFEQVRDICDF-JIAPAWFRSA-N 393.527 4.782 0 40 GJAB Cc1cccc2nc(CSc3ccc(Cl)c(C(F)(F)F)c3)cc(=O)n12 6850319 IDIPUEZGALSGIH-UHFFFAOYSA-N 384.810 4.967 0 40 GJAB COC(=O)[C@@](Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F 6996264 PJDXUMJBKKWCEJ-KRWDZBQOSA-N 387.785 4.705 0 40 GJAB O=C(CN1CCSc2ccccc21)N[C@H](c1ccc(F)cc1)c1cccs1 7355579 MDTWNWWPLIQKNO-OAQYLSRUSA-N 398.528 4.705 0 40 GJAB O=C(CSc1nnc(NC2CC2)s1)Nc1ccc(Oc2ccccc2)cc1 7577408 ZUUSVYHXGQPICJ-UHFFFAOYSA-N 398.513 4.636 0 40 GJAB Cc1ccc(C)c(N2C[C@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)c1 7928939 YXCMNSLMMJJLMV-HXUWFJFHSA-N 385.463 4.929 0 40 GJAB CCCCN1C(=O)CCc2cc(NC(=O)c3cc(Cl)ccc3OC)ccc21 9136858 ZPNOOTOBJYANAI-UHFFFAOYSA-N 386.879 4.680 0 40 GJAB Cc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc2c1CCCC2 9235099 QBVBRMLVAHNQTA-UHFFFAOYSA-N 382.316 4.701 0 40 GJAB CCOc1ccc(-c2cc(OC(=O)c3ccco3)cc3sc(=O)oc23)cc1 9430722 ZAMLAVATSFNXNK-UHFFFAOYSA-N 382.393 4.732 0 40 GJAB Cc1ccc(CC(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cc1C 10699040 OBNUHAQZIUAJML-UHFFFAOYSA-N 399.535 4.580 0 40 GJAB O=C(Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1)c1cccnc1 12391455 ZXQCMVWNWFAAFS-UHFFFAOYSA-N 376.799 4.761 0 40 GJAB biogenic CCCOc1ccc(CN(CCC)C(=O)Cc2c[nH]c3ccccc23)cc1OC 12768860 WUINCHVEQNBTRN-UHFFFAOYSA-N 394.515 4.947 0 40 GJAB C[C@@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc2ccccc12 12885513 WRXOLDUYTRQAIX-MRXNPFEDSA-N 382.504 4.664 0 40 GJAB COc1ccc(NC(=O)CSCc2csc(-c3ccco3)n2)cc1Cl 12920865 MIVAAHAGTJISKZ-UHFFFAOYSA-N 394.905 4.937 0 40 GJAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCCCC1 14002752 DAOQRCAUGPFVMR-UHFFFAOYSA-N 394.515 4.844 0 40 GJAB CC(=O)NCCc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)s1 14103497 QYPMOZGBFCSNGA-UHFFFAOYSA-N 399.566 4.751 0 40 GJAB CC(=O)c1ccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 14658012 RYVVOPAGFJBZIA-UHFFFAOYSA-N 376.250 4.691 0 40 GJAB COc1cc(OC)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1Cl 14899429 NMOVYFQCGBCBIV-UHFFFAOYSA-N 386.835 4.502 0 40 GJAB Cc1cc(Cl)ccc1Nc1nc(N2C[C@@H](C)C[C@@H](C)C2)nc2c1cnn2C 18086548 BVRQLTNQAUHDMN-BETUJISGSA-N 384.915 4.551 0 40 GJAB OC1(c2ccccc2F)CCN(Cc2c(C3CCCC3)[nH]c3ncccc23)CC1 19347965 VIUDPPZTPGHBDC-UHFFFAOYSA-N 393.506 4.843 0 40 GJAB COc1ccccc1CN1CCC[C@@H]1c1nnc(-c2nccc3ccccc23)o1 19570378 COWBIGYCDIDTOP-LJQANCHMSA-N 386.455 4.631 0 40 GJAB CC[C@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1c(C)nn(CC)c1C 19663493 VAIBZYICVFMWCX-IBGZPJMESA-N 376.504 4.827 0 40 GJAB Cc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)c1 20241732 FPRPPFVFDTYWAG-UHFFFAOYSA-N 399.538 4.878 0 40 GJAB CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 20610359 CZZUQBGUAUGHSV-UHFFFAOYSA-N 390.418 4.601 0 40 GJAB CCCc1c(-c2ccccc2)nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c1=O 20634021 LRXMNXLUURASLC-UHFFFAOYSA-N 385.471 4.693 0 40 GJAB COc1ccc(CCNC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 20836978 UKTDDVZZCASRLB-UHFFFAOYSA-N 394.085 4.676 0 40 GJAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 20856603 CTKCCICIAHUQGF-CQSZACIVSA-N 390.483 4.705 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22246143 YTPBCMCCLUAJIR-LBPRGKRZSA-N 385.464 4.834 0 40 GJAB O=C(Nc1ccc(F)cc1F)c1ccn(COc2cccc(Cl)c2Cl)n1 28236828 KIDYMRNWFZWAJV-UHFFFAOYSA-N 398.196 4.757 0 40 GJAB CCN(Cc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 36226684 NJGWMQVLEIRNBM-HSZRJFAPSA-N 386.495 4.597 0 40 GJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1 38756280 CZSFVMZPEIQNAX-GFCCVEGCSA-N 380.307 4.885 0 40 GJAB COC(=O)c1cc(F)ccc1NC(=O)c1sc2cc(F)ccc2c1Cl 40142719 KPYGKXQWMQXAJB-UHFFFAOYSA-N 381.787 4.872 0 40 GJAB CCCOc1ccc(C(=O)N(Cc2c(C)nn(C)c2C)c2ccccc2)cc1 46087013 GEOCGBXEEUXEEA-UHFFFAOYSA-N 377.488 4.673 0 40 GJAB O=C(NCc1cn2cc(Cl)ccc2n1)c1ccccc1Nc1ccccc1 48253727 FPPVINYXNWWXIS-UHFFFAOYSA-N 376.847 4.661 0 40 GJAB O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)N1CCC[C@@H]1c1ccsc1 53596236 KVNBZYASQKHUIJ-QGZVFWFLSA-N 387.505 4.733 0 40 GJAB Cc1ccc2oc(-c3cc(NC(=O)C(Cl)(Cl)Cl)ccc3O)nc2c1 59399412 WDYDFRFJIAGTAI-UHFFFAOYSA-N 385.634 4.818 0 40 GJAB O=C(CCCc1ccccc1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62129315 WAWWBRZMPKEULS-UHFFFAOYSA-N 387.527 4.812 0 40 GJAB CC(C)(NC(=O)c1cccc(Br)c1)c1nc(C(F)(F)F)cs1 72305432 XKWZYDJPRYZRQC-UHFFFAOYSA-N 393.228 4.590 0 40 GJAB O=c1c(Cl)c(NCCc2cccs2)cnn1-c1cccc(C(F)(F)F)c1 84383326 AFQMDYWNKQKFPQ-UHFFFAOYSA-N 399.825 4.621 0 40 GJAB CCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccccc1Cl 85397560 VRVLXUSWHURXOM-UHFFFAOYSA-N 388.876 4.801 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(O)cc3)c3ccccc3C2=O)c(C)c1 101256054 DAGIUYJCGWEELQ-STZFKDTASA-N 384.435 4.649 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2ccsc2)c1[C@H]1C(=O)Nc2ccc(Cl)cc21 101613264 BBWAYANPMTWXKS-HNNXBMFYSA-N 386.860 4.576 0 40 GJAB COc1cc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc1OC 102727298 WSMYLDBFEJZXQU-IBGZPJMESA-N 398.459 4.859 0 40 GJAB C[Sn](Cc1ccccc1)(Cc1ccccc1)c1ccccc1 195751966 LGPPGXGCNISSDU-UHFFFAOYSA-N 393.118 4.536 0 40 GJAB O=C1O[C@@]2(CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)c2ccccc21 211112516 QZIZUWXALFTLED-LJQANCHMSA-N 391.254 4.687 0 40 GJAB C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 222700237 HAXXTPYKIBKGOQ-KRWDZBQOSA-N 389.451 4.528 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N(CC)Cc1nc(-c2cccs2)no1 222975160 KFRPUZHQHRFIPN-MRXNPFEDSA-N 399.516 4.621 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccc(C)c(C)c1 223208706 FDRKJRNUJZPQKC-CYFREDJKSA-N 395.543 4.923 0 40 GJAB O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc32)cc1 224335949 LMHBOLCCWPUKSC-UHFFFAOYSA-N 390.914 4.875 0 40 GJAB CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1 224456845 UBGDIEVKVAZZGV-JOCHJYFZSA-N 377.484 4.755 0 40 GJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 224711694 JUYFEKRLUMMMIF-IIBYNOLFSA-N 379.500 4.751 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225163512 AFNYQYLXIDEQTG-QGZVFWFLSA-N 384.501 4.748 0 40 GJAB COc1cccc(NC(=S)NCCSCc2c(F)cccc2Cl)c1 225367358 PDRRMMYAMAIARH-UHFFFAOYSA-N 384.929 4.708 0 40 GJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccnc(-c2ccncc2)c1 390826107 BVUONGPGTMIYCQ-UHFFFAOYSA-N 386.282 4.699 0 40 GJAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)C)c3)oc2c1 408625774 FOFYUQRZUOWUMP-UHFFFAOYSA-N 387.892 4.926 0 40 GJAB O=C(N[C@H]1CCc2c(O)cccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 524446850 FNWXKJNJBAIEAF-AWEZNQCLSA-N 389.295 4.847 0 40 GJAB Cc1csc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)n1 585177730 AOGYYXADQSHECB-HNNXBMFYSA-N 382.485 4.789 0 40 GJAB CCOc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 1297556 XERUKIGUNDEQTE-UHFFFAOYSA-N 381.457 4.750 0 40 GJAB CCCCOC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 2062757 OMUDTSDDUOTSDV-UHFFFAOYSA-N 392.238 4.751 0 40 GJAB CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O 2079004 FXXQGANJPGTYLR-UHFFFAOYSA-N 395.455 4.623 0 40 GJAB CCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 2721725 FQUJCRKTJTVHDF-UHFFFAOYSA-N 377.462 4.816 0 40 GJAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cccc(Cl)c1 2723674 GPGOSUWJJUVNHG-UHFFFAOYSA-N 378.284 4.910 0 40 GJAB COc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cccs1 4487786 XBIRUCWDQGYAAY-UHFFFAOYSA-N 386.860 4.915 0 40 GJAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2c(Cl)cccc2Cl)N3)C1 4556145 POXBJGKJDGULBQ-HNNXBMFYSA-N 382.316 4.862 0 40 GJAB Cc1ccc(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)cc1C 4966380 QCVJQAYLVPFMPV-UHFFFAOYSA-N 379.529 4.731 0 40 GJAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccncc2)N1 5525738 CSEBDOFFWLWJNL-FQEVSTJZSA-N 384.464 4.614 0 40 GJAB O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)[C@H](c2ccccn2)N1 5600585 XWZKACZEXRUGNJ-QHCPKHFHSA-N 378.435 4.552 0 40 GJAB NC(=S)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 5714641 YQWXSPMWCMMZSR-IPTVCYETSA-N 383.467 4.805 0 40 GJAB CCS(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)c(Cl)c1Cl 5718951 IUOAEZJUFDSFLB-UHFFFAOYSA-N 399.324 4.973 0 40 GJAB CCOc1ccc(Cc2nnc(S)n2-c2ccccc2CC)cc1OCC 6910858 AAXPVUZPTVKFEH-UHFFFAOYSA-N 383.517 4.507 0 40 GJAB Cc1c(C(=O)NCc2ccccc2CN2CCCC2)oc2c(Cl)cccc12 8185317 CDPIVAQWFGABNO-UHFFFAOYSA-N 382.891 4.920 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)cc1 8291164 SVNLGYRSYQZWJT-UHFFFAOYSA-N 399.450 4.610 0 40 GJAB CCn1nnnc1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 8339857 VIHZXEOVGNPVSH-UHFFFAOYSA-N 393.878 4.691 0 40 GJAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4cc(F)cc(F)c4)C3)cc2c1C 12187883 RGSGPWADMSLIGW-MRXNPFEDSA-N 396.437 4.850 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)CCc3nc4ccccc4s3)o2)cs1 12619209 UGDIEIZVORLCJG-UHFFFAOYSA-N 383.498 4.570 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccc4oc(-c5ccncc5)nc4c3)oc12 13729653 LZJDJFQGPNICOF-UHFFFAOYSA-N 385.379 4.897 0 40 GJAB biogenic COc1ccc(/C=C/c2noc(C)c2NC(=O)COc2ccccc2Cl)cc1 14139102 NXSVMGHCRSPTRH-FMIVXFBMSA-N 398.846 4.833 0 40 GJAB CC(=O)N[C@@H](CC(=O)N(Cc1ccccc1)c1cccc(C)c1)c1ccccc1 15940916 IKNBBSWXWYRAOD-DEOSSOPVSA-N 386.495 4.796 0 40 GJAB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC 16439891 JAYIGTVDESXASO-NTUHNPAUSA-N 391.254 4.946 0 40 GJAB CCc1oc2ccccc2c1CN1C[C@@H]2CCC[C@H](C1)C2(O)c1cccnc1 19521350 LPPVBSRKOXCTQO-QRQCMCJISA-N 376.500 4.510 0 40 GJAB Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)[C@H]3CCCO3)CC2)n1 19691690 DADVKLUFSZALOC-JOCHJYFZSA-N 398.934 4.519 0 40 GJAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 20460229 IKTFYLMGIXNGJK-IBGZPJMESA-N 381.925 4.555 0 40 GJAB CCc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1 23118974 AWSHZGBIGMEDLS-UHFFFAOYSA-N 388.496 4.690 0 40 GJAB OCn1nc(-c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2)c1=S 27517404 WIZLKRNZBZSZHI-UHFFFAOYSA-N 389.480 4.599 0 40 GJAB CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 27663878 IJSANSDZADJBNS-HXUWFJFHSA-N 386.923 4.696 0 40 GJAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3cccs3)N3CCCC3)oc2c1 27993408 GURKECFXXDNCBJ-KRWDZBQOSA-N 382.529 4.986 0 40 GJAB Cc1c(C)n(C[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc12 28297116 DGBWCDMZVRGXLT-OAHLLOKOSA-N 387.405 4.688 0 40 GJAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)C(C)C 30683452 PXGQABZMAROKLT-QGZVFWFLSA-N 379.287 4.695 0 40 GJAB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1cccnc1 32695980 GVXJMRZOFCIDLG-UHFFFAOYSA-N 398.491 4.936 0 40 GJAB COCc1cccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 32739228 NRXVTWNCCRYQGW-QGZVFWFLSA-N 388.467 4.576 0 40 GJAB COc1ccc(COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)cc1F 32910233 FPPNWYXLOUYPRU-CQSZACIVSA-N 379.431 4.864 0 40 GJAB O=C(c1occc1-c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 32913196 FVAHZPHQUHJFFT-UHFFFAOYSA-N 389.480 4.519 0 40 GJAB Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)cnn1C 36616968 IDCZXWCWGNZCNI-UHFFFAOYSA-N 379.414 4.944 0 40 GJAB COc1ccc(C(=O)[C@@H](OC(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1 39062225 MTNUOOJIYAKURM-QFIPXVFZSA-N 397.471 4.687 0 40 GJAB Cc1ccc(CSCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44873303 DWVDXIQRSSIUBE-UHFFFAOYSA-N 382.573 4.531 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c(C)c1 44912183 SYCNIJMTJFDJSK-UHFFFAOYSA-N 394.515 4.800 0 40 GJAB C[S@](=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1 53726135 GLGJLIFAASEXKX-RBISFHTESA-N 389.476 4.690 0 40 GJAB Cc1ccc(N2C(=O)c3c(-c4ccco4)nn(-c4ccccc4)c3C2=O)cc1C 58899399 IBICFOBYFYIUPO-UHFFFAOYSA-N 383.407 4.550 0 40 GJAB COc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1Cl 59294328 WDSKLKVBYCGCIF-UHFFFAOYSA-N 398.684 4.907 0 40 GJAB CCOc1ccccc1CNc1nc2c(-c3ccccc3)nnn2c2ccccc12 67262177 BJJFIAHMCICZBI-UHFFFAOYSA-N 395.466 4.955 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(C)cc(C)c2)nc1 67294228 VVCFUDIWJXEWMA-LCUIJRPUSA-N 399.450 4.943 0 40 GJAB CC[C@@H](C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccccc1 90607121 GFRVURATHOOCAG-JOCHJYFZSA-N 388.515 4.870 0 40 GJAB Cc1nc(COc2cccc(C(=O)Nc3cccc(C(F)(F)F)n3)c2)cs1 95957863 QNMOCCUHUXGANE-UHFFFAOYSA-N 393.390 4.697 0 40 GJAB CCCn1ncc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)c1C1CC1 95979997 GBSYZZHMLWKEHX-UHFFFAOYSA-N 396.516 4.863 0 40 GJAB Cc1ccc(CNC(=O)c2cc(-c3ccn(-c4ccccc4)n3)n3ccccc23)o1 96154764 RBUBECJTOPLGHJ-UHFFFAOYSA-N 396.450 4.623 0 40 GJAB Cc1n[nH]c(C)c1[C@H](C)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 97164396 MVQCDWZYHLIAEB-AWEZNQCLSA-N 398.470 4.626 0 40 GJAB Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C(=S)Nc2ccccc2)c1 100426863 FDDNAGXVMWNGHX-SFTDATJTSA-N 393.556 4.507 0 40 GJAB O=C(c1ccccc1Br)N1CCS[C@@H](c2cccs2)CC1 219479397 BZUMBYNRPFGTHY-OAHLLOKOSA-N 382.348 4.831 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 222976203 HVXDPQBPXCUXND-LEWJYISDSA-N 394.519 4.784 0 40 GJAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)CCc1ccc(F)cc1 223250875 YNINNMPCWJFDIS-UHFFFAOYSA-N 395.478 4.764 0 40 GJAB CC(C)(C)CC(C)(C)NC(=O)COc1ccc(Cl)cc1Br 224246039 GRJYPKKNBMJQAY-UHFFFAOYSA-N 376.722 4.812 0 40 GJAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cc4ccncc4)cc3)CC2)c1 224529526 QBFQAPLWRZVSKC-UHFFFAOYSA-N 399.538 4.832 0 40 GJAB CCOc1ccc(C(=O)NCCCc2cccc3ccccc23)cc1OCC 225066531 STWYJNCLXWCINL-UHFFFAOYSA-N 377.484 5.000 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)c1snnc1-c1ccc(F)cc1 225781626 HGWKYAXVTKDPAJ-UHFFFAOYSA-N 389.455 4.864 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225839807 UOFDOUXCIMFJSW-SFHVURJKSA-N 381.501 4.926 0 40 GJAB CC1CCN(C(=S)Oc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)CC1 408721729 LNXGAQLRQKOVHD-UHFFFAOYSA-N 388.920 4.988 0 40 GJAB Cc1cc(Br)c(O)c(NC(=O)c2scnc2C2CCCC2)c1 546832325 GDEHSOIWXLOBKI-UHFFFAOYSA-N 381.295 4.830 0 40 GJAB CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc([C@H]2C[C@@H]2C(F)F)n1 554833778 CGFVAFRBCPZAPZ-RWMBFGLXSA-N 387.224 4.977 0 40 GJAB C[C@H]1CC(C)(C)N(C(=O)CSc2nc(O)c3ccccc3n2)c2ccccc21 1325661 JSQRDUGIOLUOMG-AWEZNQCLSA-N 393.512 4.747 0 40 GJAB CSc1ccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccco2)cc1 1369149 FEDIYHXZMFUSAV-QZTJIDSGSA-N 385.533 4.709 0 40 GJAB Cc1cc(Cl)ccc1NC(=S)N1CCN(c2cccc(Cl)c2)CC1 1406136 MDWJFJKCYHAWIZ-UHFFFAOYSA-N 380.344 4.821 0 40 GJAB O=C(COc1c(-c2ccco2)oc2ccccc2c1=O)c1ccc(Cl)cc1 1994099 KNDGDWZSGKDHDE-UHFFFAOYSA-N 380.783 4.968 0 40 GJAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4)nc32)cc1Cl 2221121 MHRSFHCGELUICJ-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)NC2=S)cc1 2254977 OAIMCBZPPIAARN-CXUHLZMHSA-N 393.295 4.654 0 40 GJAB COc1ccc(C(=O)N(C)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1 3158317 YBVGUAZIZCJEAX-UHFFFAOYSA-N 394.515 4.726 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(Br)c(C)c1 3486989 LRYCVMCBRJKBOW-UHFFFAOYSA-N 397.700 4.779 0 40 GJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](C)c3ccccc3)c(C)c12 4089247 RSICRQUHSZVYEN-INIZCTEOSA-N 389.451 4.884 0 40 GJAB biogenic Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(C)c(C)c3)sc2c1 4359535 HHUFFANLKYPNNK-UHFFFAOYSA-N 381.545 4.820 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CC[C@@H](C)C2 4612036 XBAQWDFQVMWKEY-COXVUDFISA-N 383.513 4.792 0 40 GJAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 4811532 FKRUALBHODOSHR-QHCPKHFHSA-N 383.495 4.805 0 40 GJAB CC1(C)N=C(SCC(=O)Nc2ccc(F)c(Cl)c2)C(c2ccccc2)=N1 4890895 MEDSEKWWTRSUAX-UHFFFAOYSA-N 389.883 4.788 0 40 GJAB Cc1occc1-c1nnc2sc(COc3ccc(Cl)cc3Cl)nn12 4939036 KWCNOUAKXZBXIE-UHFFFAOYSA-N 381.244 4.640 0 40 GJAB O=C(O[C@@H](C(=O)NC1CCCCC1)c1ccc(C(F)(F)F)cc1)c1ccco1 4982355 PMUJUVJTSPVLOI-QGZVFWFLSA-N 395.377 4.645 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nonc2-c2ccc(Cl)cc2)c1 5483231 KSQLYXORAWDQGD-UHFFFAOYSA-N 385.851 4.839 0 40 GJAB Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccccc3F)cc2O)n1 5573367 ULXUKVNYDFMIMK-UHFFFAOYSA-N 387.414 4.817 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)N(Cc1ccccc1)Cc1ccccc1 5903060 VWUKSHRPRGKTNH-UHFFFAOYSA-N 387.508 4.884 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(C)s1)c1ccccc1 5974498 FHGYPWBMJMTXMP-FQEVSTJZSA-N 395.480 4.910 0 40 GJAB COC(=O)c1cccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)c1 6531464 ZTUYOZFZNJLHKL-UHFFFAOYSA-N 394.496 4.591 0 40 GJAB COc1cccc([C@@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)c1 6786928 HOAZSJKFHGKIIY-HSZRJFAPSA-N 399.425 4.974 0 40 GJAB Cc1cccc(C)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 6928311 LDAJBJADCYWPIO-UHFFFAOYSA-N 388.467 4.526 0 40 GJAB O=C(CCCc1nc2ccccc2s1)OCc1ccc(-n2cccn2)cc1 7254106 DIBQOFSNTOXNNM-UHFFFAOYSA-N 377.469 4.548 0 40 GJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 7262764 PRZVZYHACGBIGR-QGZVFWFLSA-N 377.440 4.680 0 40 GJAB CCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 7659221 GBNWSVXSEYGOCM-UHFFFAOYSA-N 392.455 4.641 0 40 GJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 7882086 KQRNTOVSAPQQME-OCCSQVGLSA-N 377.271 4.542 0 40 GJAB C[C@@H](Oc1ccc(-c2nc3ccccc3s2)cc1)C(=O)NCc1ccco1 8156768 ZDMLIQKQEFVSIP-CQSZACIVSA-N 378.453 4.640 0 40 GJAB COc1cc(C)c(NC(=O)c2ccccc2COc2ccccc2)cc1OC 8945121 QLMOIZIQTJMCBJ-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)o3)c2)cc1 9062099 XRLOFJWKPMZJFI-UHFFFAOYSA-N 398.422 4.550 0 40 GJAB CN(Cc1ccccc1N1CCCCC1)C(=O)CCc1c[nH]c2ccccc12 9220994 DRCGMWCJVZZEGE-UHFFFAOYSA-N 375.516 4.749 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 9226658 ZARKTBSHHRQBNH-KRWDZBQOSA-N 388.467 4.829 0 40 GJAB O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccc(F)cc1 9660065 MTHBWRINUIYIKH-UHFFFAOYSA-N 377.346 4.991 0 40 GJAB biogenic Cc1nc2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc2o1 9680458 YBNNEZHTBWTBDS-UHFFFAOYSA-N 380.407 4.999 0 40 GJAB Cc1cccc(C)c1NC(=O)CCCSc1ccc(Br)cn1 12540892 AYZROWSGLJQJJO-UHFFFAOYSA-N 379.323 4.972 0 40 GJAB Cn1ccnc1[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 12550207 UYECJRMYRWSZLF-MRXNPFEDSA-N 393.249 4.777 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c(C)c1 13041940 RWBSTXPEZKZFJA-LJQANCHMSA-N 395.547 4.633 0 40 GJAB CCOc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc(Cl)c1O 15016194 ZWGWORVROPXLRJ-XGICHPGQSA-N 394.652 4.700 0 40 GJAB COCCn1c(SCCOc2ccc(Cl)c(C)c2)nc2ccccc21 15860708 BENATDDUDWJOCC-UHFFFAOYSA-N 376.909 4.816 0 40 GJAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1 16227009 UVVLVYNZFRGUGY-UHFFFAOYSA-N 390.464 4.989 0 40 GJAB COc1ccc(NC(=O)/C=C/c2cnc3ccccc3n2)cc1Cc1ccccc1 16274217 QEGLFQGQULMLTR-WYMLVPIESA-N 395.462 4.881 0 40 GJAB O=C(COc1ccc(F)c(Cl)c1)N[C@@H](c1ccc(F)cc1)c1cccs1 18221206 ZJSQIKCWBUFNEF-IBGZPJMESA-N 393.842 4.964 0 40 GJAB Cc1noc2nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)cc(C(F)F)c12 19564316 KIYMCDCOIWLGHE-CQSZACIVSA-N 375.394 4.988 0 40 GJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccccc1F)CO3 20412333 VEXYCIHDTRCNMV-UHFFFAOYSA-N 381.447 4.588 0 40 GJAB CC(=O)Oc1ccc2cc(-c3csc(-c4ccc(F)cc4)n3)c(=O)oc2c1 20724174 YSSUPPUBAXUHFH-UHFFFAOYSA-N 381.384 4.648 0 40 GJAB OC1=Nc2ccccc2CC[C@@H]1Sc1nnnn1-c1cccc2ccccc12 20731153 OACWVKGLDRYMII-IBGZPJMESA-N 387.468 4.511 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)cc1 21908084 FJQAJJOHOQETHI-UHFFFAOYSA-N 395.484 4.549 0 40 GJAB CCOc1c(Cl)cc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1OC 25711159 MJIQYBZNALAZTN-GOSISDBHSA-N 390.911 4.843 0 40 GJAB Cc1nc(NC(=O)c2cccs2)sc1-c1nc(-c2ccc(F)cc2)no1 31815111 FCOJFGBXJXVJMF-UHFFFAOYSA-N 386.433 4.621 0 40 GJAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 35913003 JMJXZVUNVBQREH-ITHTXLDVSA-N 397.858 4.984 0 40 GJAB Cc1cc(C(=O)Nc2ccc(C)c(F)c2)c2c(C)nn(Cc3ccccc3)c2n1 36616700 ZSTAHFMHJSORIK-UHFFFAOYSA-N 388.446 4.796 0 40 GJAB COc1ccccc1CN(CCCn1ccnc1)Cc1ccc2ccccc2n1 36740338 MOEHXZGWIHEJRR-UHFFFAOYSA-N 386.499 4.532 0 40 GJAB CCCCCn1ccc2c(cnc3c(-c4ccc(F)cc4)c(CC)nn32)c1=O 40396706 FNYNTVLNAYQCCA-UHFFFAOYSA-N 378.451 4.603 0 40 GJAB c1cncc(-c2nnc3n2[C@@H](CSC2=Nc4ccccc4CS2)CS3)c1 46084487 IGHLYOGWZWLGEU-CQSZACIVSA-N 397.554 4.655 0 40 GJAB Cc1ccc2c(Nc3ccc(F)cc3)c(C(=O)N3CCCCCC3)cnc2n1 49004685 GKNNUFVSPINFPF-UHFFFAOYSA-N 378.451 4.837 0 40 GJAB CC(C)(C)c1cnc(CSc2nnc(COc3ccccc3Cl)o2)o1 58200971 YKPSYAADTCEGPI-UHFFFAOYSA-N 379.869 4.880 0 40 GJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc2c(s1)CCCCCC2 72021156 JLTVWPWQTHEELC-UHFFFAOYSA-N 381.501 4.947 0 40 GJAB Cc1nc2ccccc2nc1COC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 84057555 GPTSFZFNRGZGRU-LSDHHAIUSA-N 386.373 4.804 0 40 GJAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3ccc(N(C)C)cc3)c(C)c12 84066895 KXBAQZVRVLRDGC-UHFFFAOYSA-N 392.484 4.886 0 40 GJAB CC(C)C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccccc1 84509872 QDPONBXUZLWLLH-INIZCTEOSA-N 396.384 4.687 0 40 GJAB Cc1cccc(-n2nnc(C(=O)Nc3cccc(C4SCCS4)c3)c2C)c1 89686074 FEBFWRXIPGIADK-UHFFFAOYSA-N 396.541 4.615 0 40 GJAB Nc1nc(SCc2ccc(Cl)cc2Cl)[nH]c(=O)c1-c1ccccc1 96295114 KRCAADJUVYKUAR-UHFFFAOYSA-N 378.284 4.618 0 40 GJAB Cc1cccc(C)c1N1C(=O)C[C@H](Nc2ccc(Oc3ccccc3)cc2)C1=O 102815218 JMWZWCDGYAYOFI-NRFANRHFSA-N 386.451 4.840 0 40 GJAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1cccc(C(F)(F)F)c1 110932215 OBFVEZBIYDRVJB-UHFFFAOYSA-N 398.233 4.632 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118914788 WHQYZHCEDYYAAN-BLOUATSXSA-N 388.548 4.894 0 40 GJAB CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1ccccc1Cl 216824486 FVWJKRKXASTIGE-UHFFFAOYSA-N 380.231 4.603 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 219056919 RSYGCQYQIIFTTE-INIZCTEOSA-N 375.896 4.644 0 40 GJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCOc1ccc(C(C)(C)C)cc1 225181795 ZFULZTWTNGPEHA-SFHVURJKSA-N 395.543 4.825 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(SC(C)C)s1 225729014 RHWZMSWQNJTAMT-CYBMUJFWSA-N 385.942 4.797 0 40 GJAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2cccc(F)c2)cc1 257336316 YNWZYFQEGUIMLB-UHFFFAOYSA-N 393.414 4.653 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 409131819 ZAHFMTGBHMAIPM-GFXBCDTMSA-N 388.467 4.987 0 40 GJAB COc1ccc2cc([C@H]3CC(c4cccs4)=NN3C(C)=O)c(Cl)nc2c1 644936 HSIVGVMQAPYDKZ-QGZVFWFLSA-N 385.876 4.656 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccc(F)cc4)n3c2c1C 903154 KPECSOXBYRIORX-UHFFFAOYSA-N 394.475 4.678 0 40 GJAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OC4CCCCC4)cc3C2=O)c1 990580 HOCSMWMAYDXBPZ-UHFFFAOYSA-N 377.440 4.594 0 40 GJAB COc1ccc([C@@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1OC 1296299 SMCHVNBDEYDAJA-NRFANRHFSA-N 386.451 4.788 0 40 GJAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1C(C)(C)C 2274933 YUHMWBGGGBZGNL-HXUWFJFHSA-N 399.878 4.591 0 40 GJAB Cc1csc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1 2661243 DJPXUMSFTXGZJA-UHFFFAOYSA-N 386.546 4.666 0 40 GJAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc(C)c1C 2725869 HEGSDEGEWISGLW-UHFFFAOYSA-N 389.830 4.805 0 40 GJAB Cc1sc2ncn3nc(-c4ccc(COCC(F)(F)F)cc4)nc3c2c1C 2790131 URQFOWZPLULIGJ-UHFFFAOYSA-N 392.406 4.702 0 40 GJAB FC(F)(F)c1cnc(NNC(=S)Nc2cccc(Cl)c2)c(Cl)c1 3310611 ACVXSXAQVYCJNT-UHFFFAOYSA-N 381.210 4.721 0 40 GJAB CC(=O)c1ccccc1OCCSc1nnc(NC2CCCCC2)s1 3442489 UEQFOKRKJQMIDI-UHFFFAOYSA-N 377.535 4.656 0 40 GJAB CCOc1ccc(-n2c(S[C@H]3CCCC3=O)nnc2-c2ccccc2)cc1 3562619 YORWCNZFZYRPJO-IBGZPJMESA-N 379.485 4.547 0 40 GJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1Cc1ccccc1 4033495 RLYQKLAESVUCLX-OAQYLSRUSA-N 381.479 4.601 0 40 GJAB Cc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccccc2)cc1 4518081 JZYVBEQSVPTERV-UHFFFAOYSA-N 375.476 4.552 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 6128857 HUNBMLACFJABIG-UHFFFAOYSA-N 398.919 4.837 0 40 GJAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N[C@H]1CCCc2ccccc21 6882256 IYCVWZWLCQNUFO-AZUAARDMSA-N 391.540 4.627 0 40 GJAB Cc1ccc(C)c(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 7928812 POKGDXZOJORDST-ZDUSSCGKSA-N 378.255 4.569 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)c1 8475465 YRHSBESUFQZQCG-MRXNPFEDSA-N 384.435 4.886 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c(C)c1 8558484 JPDPHJVFINOAHG-IBGZPJMESA-N 394.515 4.726 0 40 GJAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2n1C(F)F 8719845 AWHBOYVAELTHPR-HNNXBMFYSA-N 386.446 4.680 0 40 GJAB CC(C)c1ccc(CCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9062734 HNARZCKSYQYVRN-UHFFFAOYSA-N 382.523 4.520 0 40 GJAB COc1ccc(-c2c/c(=N\N)oc3cc4c(cc23)CCC2(CCCCC2)O4)cc1 9485918 BWURYVCZWQILJZ-WNAAXNPUSA-N 390.483 4.911 0 40 GJAB Cc1ccc(-c2nnc(SCCOc3ccc4c(C)cc(=O)oc4c3)o2)cc1 9583300 MAZBEYAVOZAPOY-UHFFFAOYSA-N 394.452 4.631 0 40 GJAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 9909901 MXLVQMKACXOTQM-UHFFFAOYSA-N 379.456 4.947 0 40 GJAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)C(C)(C)C)n(C(C)C)c1C 12388994 SGVLIVMSPXIXDL-UHFFFAOYSA-N 376.522 4.503 0 40 GJAB C[C@@H](Nc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 12419347 BGHREPMDGHNIRG-OAHLLOKOSA-N 394.452 4.941 0 40 GJAB CCOC(=O)/C(=C\OCCOc1ccc(Cl)c(Cl)c1)c1ccccc1 13471140 ZPLRPZVWZCGVQE-SSZFMOIBSA-N 381.255 4.993 0 40 GJAB COc1ccc(CCN[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)cc1 15940864 GVXRDZHLNKCMEZ-XMMPIXPASA-N 388.511 4.824 0 40 GJAB O=S(=O)(Nc1cccc(Br)c1)c1c(Cl)cccc1Cl 16100051 BSCGREAOIBVHHC-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB Cc1ccc(-c2nc(CSc3nc(O)cc(C(F)(F)F)n3)c(C)o2)cc1 16840775 XQHCNPHTONRBQO-UHFFFAOYSA-N 381.379 4.765 0 40 GJAB Cc1nccn1CCCC(=O)Nc1nc(-c2c(C)n(C)c3ccccc23)cs1 19581845 MQIHVLJXYUCQOH-UHFFFAOYSA-N 393.516 4.534 0 40 GJAB Cc1cccc(C2(C(=O)Nc3nnc(C4CCCCC4)s3)CCOCC2)c1 19662348 BYGNRWROYMVPBU-UHFFFAOYSA-N 385.533 4.581 0 40 GJAB O=C1CN(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c2ccccc2N1 20241958 UJRUTJLGVBUUGN-NBVRZTHBSA-N 388.854 4.866 0 40 GJAB COc1ccc2c(ccn2CC(=O)Nc2ccc(Br)cc2Cl)c1 20737386 TWOCXWGJNPMCNI-UHFFFAOYSA-N 393.668 4.705 0 40 GJAB COc1cccc(CNC[C@@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1 22075174 NBTSOSDJMLMEDT-OAQYLSRUSA-N 397.902 4.751 0 40 GJAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3ncc(Cl)cc3Cl)c2)n1 27970780 MKPAFSWPSFWWEM-UHFFFAOYSA-N 375.259 4.502 0 40 GJAB CCN(CC)[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 28291910 UFLQZNXYUGHCIO-QFIPXVFZSA-N 382.548 4.562 0 40 GJAB O=C(CCc1ccccc1F)N(C[C@H]1CCCO1)c1nc2ccccc2s1 32716537 PAKOXCGOQKJVRS-MRXNPFEDSA-N 384.476 4.580 0 40 GJAB COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(N2CCCC2)nc1 40153425 DSRMFWVYFMDZEZ-UHFFFAOYSA-N 379.485 4.671 0 40 GJAB FC(F)(Cl)[C@@](F)(Cl)[C@@](F)(Br)C(F)(F)Br 64370156 FCMYQABQAFPAEV-NHYDCYSISA-N 392.746 4.771 0 40 GJAB CCOc1ccccc1NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635493 FRFKXDYFRURZDN-GOSISDBHSA-N 394.393 4.710 0 40 GJAB O=C(Nc1ccc2ncc(Cl)n2c1)c1ccc(COc2ccc(F)cc2)o1 95462428 QMUKKQYDAJLNJQ-UHFFFAOYSA-N 385.782 4.551 0 40 GJAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc(F)c(C)c3)n2)cc1 95947715 PWTSLRRPLQFKQK-CYBMUJFWSA-N 397.475 4.707 0 40 GJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CNc1ccc(OC(F)F)c(Cl)c1 96994325 XPVRPHUGJMBAGE-LLVKDONJSA-N 386.801 4.712 0 40 GJAB COc1ccc(OC)c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 98073359 ZTFORQJYESGBJH-INIZCTEOSA-N 389.451 4.677 0 40 GJAB COc1ccc(C(=O)NC23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1Br 101212945 UIOFZVYOJVGNKB-LEVRYPNCSA-N 392.337 4.937 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 222960701 SYIXZNFDIWSPQF-LJQANCHMSA-N 382.504 4.628 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 222987910 KFYVOUHKEFCRRW-GOSISDBHSA-N 375.852 4.540 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccc(C)cc1 225484292 WDDAHAWQRAFXIP-QGZVFWFLSA-N 376.909 4.873 0 40 GJAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2Cc2ccc3ccccc3n2)n1 257261072 LFPVAPLJXAGUPP-JOCHJYFZSA-N 385.471 4.634 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 408708770 SLMQDYQMKTYHJD-HJOIGYKYSA-N 390.955 4.804 0 40 GJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C1=O 409020230 MWCZRGQFQUOJCY-VBEHJTROSA-N 399.468 4.876 0 40 GJAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)CC2Cc3ccccc3C2)cc1 585091821 UZMBJNOSJKHBOV-UHFFFAOYSA-N 399.490 4.719 0 40 GJAB CC(C)CN(C(=O)c1ccn(C2CCOCC2)n1)[C@@H](C)c1ccccc1Cl 628032151 OTDATKCKGVCSGX-INIZCTEOSA-N 389.927 4.747 0 40 GJAB COCc1ccccc1NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 653940778 MVQIXDXISMKULO-UHFFFAOYSA-N 388.458 4.988 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)CCc3cccs3)CC[C@@H]2N1c1ccc(F)cc1 1615154705 GOUBLQWJUOUZPT-UZLBHIALSA-N 386.536 4.726 0 40 GJAB Cc1cc(C(=O)NCCCc2c[nH]c3ccc(F)cc23)c2ccc(F)cc2n1 1640580846 ITRFECVIYQPUHE-UHFFFAOYSA-N 379.410 4.665 0 40 GJAB COc1ccc(Cl)cc1C(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775978492 SJJCCHOJSWTVGW-KRWDZBQOSA-N 387.888 4.541 0 40 GJAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc2c3c(cccc13)CC2 848908 REAVHMZHUVSVAN-UHFFFAOYSA-N 390.446 4.925 0 40 GJAB CCOC(=O)C(=O)N1c2ccc(C)cc2-c2c(ssc2=S)C1(C)C 2268653 CMJYHIRNUNHCRE-UHFFFAOYSA-N 379.528 4.659 0 40 GJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCCC2=O)cc1 2651333 VPXCTYLFCZSJMV-UHFFFAOYSA-N 382.769 4.738 0 40 GJAB CCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 2677423 PMMLMHPEUDXZJE-PDGQHHTCSA-N 391.298 4.681 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1 2762915 MEDFBFGWPJHGIR-UHFFFAOYSA-N 398.418 4.891 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](Nc2ccc3c(c2)OCCO3)c2ccccc2)c1 3342749 MALGSZKJTPEQTD-QHCPKHFHSA-N 388.467 4.867 0 40 GJAB Cc1c(OCC(=O)N2CCCCCC2)ccc2c(=O)c(-c3ccccc3)coc12 3391621 ZMYKHRIOSQWOAF-UHFFFAOYSA-N 391.467 4.550 0 40 GJAB C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ccc(Cl)cn1 3454007 MDEMRYDYPUHBFD-NSHDSACASA-N 375.906 4.978 0 40 GJAB CC(C)n1nc(C(=O)Oc2cc(Cl)ccc2Cl)c2ccccc2c1=O 3554848 SOIOZWPNLXGJCN-UHFFFAOYSA-N 377.227 4.503 0 40 GJAB CCOP(=O)(OCC)[C@@](C)(CC)OC(=O)C(C(F)(F)F)C(F)(F)F 4207797 CJWCVAQBXDCALN-JTQLQIEISA-N 388.241 4.663 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 4628742 ZBULIMFQRZMOJA-CTASWTNQSA-N 375.534 4.814 0 40 GJAB Cc1ccc(/C=C\C(=O)OCCCCOC(=O)/C=C/c2ccc(C)cc2)cc1 4946022 DDVVHQDKZTUZSV-VCFJNTAESA-N 378.468 4.897 0 40 GJAB COc1ccc(OC)c(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)O)c1 5023147 OFMNEBRMYJOBDB-UHFFFAOYSA-N 384.457 4.506 0 40 GJAB CCOC(=O)c1nnc(-c2cccs2)nc1Oc1cccc(C(F)(F)F)c1 5333522 DRBRVBKBZXULFM-UHFFFAOYSA-N 395.362 4.588 0 40 GJAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccccc1O 5520833 CYOANBKFMPGVKZ-UHFFFAOYSA-N 376.334 4.880 0 40 GJAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1-c1ccccc1 5883838 LKCIMKKOQNCOCL-UHFFFAOYSA-N 390.468 4.567 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 5898564 CCNSUXABUKSFOR-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccc(OC(F)F)cc1 5973649 PDHDDXMGGNHRMZ-UHFFFAOYSA-N 377.416 4.675 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(Cl)cc1 6243052 JFYOSPXKLYBCDA-CYBMUJFWSA-N 376.909 4.746 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)c(C)c1 6613314 ZTUALHSGNVDHFR-UHFFFAOYSA-N 391.334 4.810 0 40 GJAB CCN1C(=O)S[C@@H](Cc2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 6952456 QGCXODFBRJNNEZ-KRWDZBQOSA-N 375.877 4.545 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 7576962 FDQDVWBYYQGPMR-UHFFFAOYSA-N 388.493 4.768 0 40 GJAB Cc1ccc(-c2noc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 7605469 XRQMBIVLIHLZCC-UHFFFAOYSA-N 393.390 4.795 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)CSCc2cccc(Cl)c2)c1 8092225 YJDQYWZVCQMDMN-UHFFFAOYSA-N 384.284 4.652 0 40 GJAB C[C@H](Nc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 8161303 SQRNOQFYZQTGFN-IBGZPJMESA-N 392.547 4.716 0 40 GJAB O=C(Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)c1ccco1 8902656 QLRXOBUHKUAWMT-UHFFFAOYSA-N 381.388 4.533 0 40 GJAB CCc1nn2c(=O)cc(-c3ccc(OC)cc3)[nH]c2c1-c1ccc(Cl)cc1 9547302 RCDWVUYQXMKSCU-UHFFFAOYSA-N 379.847 4.581 0 40 GJAB COc1ccc2oc(-c3csc(NC(=O)c4ccccc4OC)n3)cc2c1 10883170 NBRUGPPAWNAKOT-UHFFFAOYSA-N 380.425 4.826 0 40 GJAB Cc1c(-c2ccccc2)c(=O)oc2c3c(ccc12)OCN(Cc1cccnc1)C3 12442458 GRJJLIRHGPKNKF-UHFFFAOYSA-N 384.435 4.516 0 40 GJAB biogenic O=C(Nc1ccccc1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 12655276 MBULDXUUYGWMPH-HKWRFOASSA-N 376.843 4.750 0 40 GJAB CCOc1ccc(-c2nc(CC(=O)Nc3cccc4ncccc34)cs2)cc1 12973276 XPGRFQQIEIMGTQ-UHFFFAOYSA-N 389.480 4.938 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14399648 ZOUJYZVSDXEXNW-QGZVFWFLSA-N 396.531 4.872 0 40 GJAB O=c1c(-c2ccc(Br)cc2)c(C(F)(F)F)oc2cc(O)ccc12 17729814 OOYXXJOCHQEYSZ-UHFFFAOYSA-N 385.135 4.947 0 40 GJAB biogenic CCOc1cc2c(cc1CN[C@H](Cc1ccsc1)c1ccc(C)cn1)OCO2 19532527 QGDNXLBMLAQRNO-LJQANCHMSA-N 396.512 4.653 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2ccc(Cc3c(C)noc3C)s2)cc1F 19581082 DFKHYMIHRBIHAB-LLVKDONJSA-N 388.464 4.582 0 40 GJAB O=C(c1ccccn1)N1CCC[C@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 19688200 JRSLADRMZCUFQD-IBGZPJMESA-N 391.902 4.741 0 40 GJAB C[C@@H](CN(C)C(=O)CC1CCN(C(=O)CC2CCCCC2)CC1)c1ccccc1 19745390 YPGJSTBBKMLZDP-FQEVSTJZSA-N 398.591 4.848 0 40 GJAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 20140265 HPBROQHARMTFMR-UHFFFAOYSA-N 391.301 4.622 0 40 GJAB Cc1ccc(CN2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCCC5)cc1 20390778 NRFBXHKMQXXONI-UHFFFAOYSA-N 395.886 4.986 0 40 GJAB CCOc1cc(C=O)ccc1OCc1nc(-c2ccc(Cl)c(Cl)c2)no1 22120997 PEOFAGVLSVPUOS-UHFFFAOYSA-N 393.226 4.834 0 40 GJAB COc1ccccc1[C@@H](C)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 23113579 NRYIMWVHQSQXIU-OAHLLOKOSA-N 382.435 4.642 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)c2cccs2)o1 23435309 FFMWKVQUSWAYNN-OAHLLOKOSA-N 377.469 4.993 0 40 GJAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cc(Cl)c(Cl)n1C 28897263 TXJVDHPVJBJIQK-UHFFFAOYSA-N 380.319 4.594 0 40 GJAB CC[C@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cc(C)on1 31423928 CRSROYGYGGSWHD-HNNXBMFYSA-N 391.880 4.942 0 40 GJAB COc1ccc(OCC(=O)Nc2nc3c(F)cccc3s2)c(C(C)(C)C)c1 32598904 WUMWSBHDLDMNNS-UHFFFAOYSA-N 388.464 4.759 0 40 GJAB CC1=CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 36143756 MCTDXPDDZLFJHR-IKQBDLNTSA-N 382.500 4.941 0 40 GJAB Cc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)cs3)c2N)cc1C 38652203 IFDMYWBMEJWMFV-UHFFFAOYSA-N 381.892 4.910 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)C1CCN(Cc2ccccc2F)CC1 39751610 CGCOGRZMJGTDHJ-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB CC(C)c1noc(CCCC(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)n1 40133009 OIETYJOSMIJIRC-SFHVURJKSA-N 391.515 4.853 0 40 GJAB COc1cccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)[nH]n2)c1 46914098 XTZHSKJVHRGFIS-UHFFFAOYSA-N 386.333 4.821 0 40 GJAB CCSc1ccccc1NC(=O)c1ccccc1I 48442213 IPCGAHUYPTWSFM-UHFFFAOYSA-N 383.254 4.656 0 40 GJAB Cc1ccc2c(Nc3ccc(F)c(F)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 49005254 DBOMCXWQHBUCFK-AWEZNQCLSA-N 396.441 4.975 0 40 GJAB CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccccc1Cl)C3 55396254 IPVQZCDCXFVHOL-UHFFFAOYSA-N 383.875 4.978 0 40 GJAB CCC(CC)C(=O)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C 67889959 BDISWIZMWKBDQM-UTKZUKDTSA-N 384.520 4.763 0 40 GJAB biogenic,in-vitro COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c1 72230016 KBACHGARVWJSBC-NRFANRHFSA-N 397.858 4.691 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72358078 JVXQUGPUCAMAKG-LJQANCHMSA-N 381.476 4.554 0 40 GJAB CC(C)(Oc1ccc2c(c1)CC/C(=C\c1ccc(O)c(Cl)c1)C2=O)C(=O)O 95393839 XZOYCRRICCZTGS-NTEUORMPSA-N 386.831 4.500 0 40 GJAB Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(CCc3ccccn3)c2)cc1 96137268 UFVSFJIAELTSTH-JQIJEIRASA-N 378.497 4.588 0 40 GJAB CCOC(=O)C1=C(C)N2C(c3ccccc3)=CSC2=N[C@H]1c1ccccc1 101405371 PZOODMYBKXEFPL-FQEVSTJZSA-N 376.481 4.982 0 40 GJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C)c2)c1 121300256 UAAKUSDQRMMGIP-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCCC[Sn](CCCC)(CCCC)c1cc(OC)ncn1 170026060 JBHIRGVWJOTFFG-UHFFFAOYSA-N 399.167 4.541 0 40 GJAB CCc1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c(Br)c1 218862828 PYBKEMRPEDDKGC-HNNXBMFYSA-N 390.321 4.528 0 40 GJAB CCOc1cc(C)c([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OCC 222565435 SYEHOGWYUVUIQA-JHVJFLLYSA-N 397.544 4.777 0 40 GJAB O=C(CCc1cccc2ccccc12)Nc1ccccc1C(=O)NCc1ccco1 222665866 DPVDUSXFINSGOB-UHFFFAOYSA-N 398.462 4.934 0 40 GJAB COc1ccc2nc(C)c(C(=O)NCc3ccc(Cl)cc3Cl)cc2c1 223137553 RTIGNAHNMNJXBM-UHFFFAOYSA-N 375.255 4.789 0 40 GJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 223836894 RLNVYCCRQDVREX-OXJNMPFZSA-N 379.500 4.751 0 40 GJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cc4ccncc4)cc3)CC2)cc1 224531550 FMNHXYMIQLYVCM-UHFFFAOYSA-N 399.538 4.832 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccc2CN2CCCC2)c1 224801432 PGOQEWILIGCOJH-HXUWFJFHSA-N 394.559 4.798 0 40 GJAB COC(=O)c1cc(NC(=S)NCCSc2ccc(C)cc2)ccc1Cl 225286604 KDJZHAPZQKAZIS-UHFFFAOYSA-N 394.949 4.514 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccc(OC)cc2)c2ccccc2O1 225590427 VLEIDQCEVSDTIZ-OXJNMPFZSA-N 383.488 4.661 0 40 GJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225744765 RVVADOFKASTZQY-QFIPXVFZSA-N 378.557 4.721 0 40 GJAB COc1cccc(Oc2ccc(NC(=O)c3cc4cccc(OC)c4o3)cn2)c1 408570191 SPUUGBNXNOFKFT-UHFFFAOYSA-N 390.395 4.890 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 408624271 BXYSRWOSNINBBI-UHFFFAOYSA-N 383.698 4.538 0 40 GJAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 408650464 BIVNDOYJMHSUIY-OAQYLSRUSA-N 385.463 4.544 0 40 GJAB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C3/SC(=O)NC3=O)cc2)cc1 408918074 FTNQNOQYGRDQGF-SFQUDFHCSA-N 381.453 4.527 0 40 GJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1OC 408993026 BLSLQUDYFVJVAX-DSKMESRISA-N 379.456 4.699 0 40 GJAB CCCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1 409103287 GJINCCIPQVSZJC-UHFFFAOYSA-N 386.908 4.739 0 40 GJAB C[C@H](NC(=O)c1sc(=S)n2c1nc(O)c1sccc12)c1ccccc1 575614889 BJUXKOVORACETR-VIFPVBQESA-N 387.511 4.537 0 40 GJAB C[C@@H]1CN(Cc2cnc(C3CC3)o2)c2ccccc2N(Cc2ccccc2)C1=O 628282511 HVUZCBFPLBEROE-QGZVFWFLSA-N 387.483 4.742 0 40 GJAB CC1=NN(c2ccccc2)C(=O)[C@]12[C@@H]1C=C[C@@H](C1)C2(C(F)(F)F)C(F)(F)F 1079627 VTHZQAOUAHETLH-TYNCELHUSA-N 388.311 4.712 0 40 GJAB Cc1cc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(=O)[nH]c2cc1C 1366553 WUCNYGKRYDWLNT-UHFFFAOYSA-N 392.480 4.642 0 40 GJAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1 1448037 FCBWHMVNGWZRKK-UHFFFAOYSA-N 386.403 4.996 0 40 GJAB biogenic CCOc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2c1 2222948 ZYZXXANHOPUUJT-UHFFFAOYSA-N 395.406 4.711 0 40 GJAB OCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 2292529 XYYLBNGVNPPDAX-UHFFFAOYSA-N 390.512 4.580 0 40 GJAB Cc1cccc(NC(=O)OCCNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1C 3087646 URQMKSZMXYUHCW-BBRMVZONSA-N 399.318 4.559 0 40 GJAB COc1cc(C(=O)Nc2ccccc2Cc2ccccc2)cc(OC)c1OC 3270296 GFZSWKUAUHUCEW-UHFFFAOYSA-N 377.440 4.556 0 40 GJAB COc1ccc(-c2coc3cc4oc(=O)c(CCC(=O)O)c(C)c4cc23)cc1 4043470 NDSJTCLAYRYLOX-UHFFFAOYSA-N 378.380 4.540 0 40 GJAB biogenic CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SC/C=C/c2ccccc2)o1 4301326 PCKCLAQSWPIHIX-KXKDPZRNSA-N 387.505 4.947 0 40 GJAB Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccccc3)n3ccccc23)c1C 4585222 RVACBNTYJQTKQH-UHFFFAOYSA-N 383.451 4.622 0 40 GJAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)C1(C)C 4717197 ODVRQBMHIDGPLA-UYAOXDASSA-N 395.572 4.697 0 40 GJAB O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCCc1ccccc1 5146529 UIHYUWXEYZIUNP-UHFFFAOYSA-N 395.915 4.618 0 40 GJAB COC(=O)c1ccccc1NC(=O)COc1cc(C)c(Cl)cc1C(C)C 5697593 LOKOTXBVRJHPCV-UHFFFAOYSA-N 375.852 4.576 0 40 GJAB CCCOC(=O)c1cccc(Nc2cc(C)nc3ccc(C(=O)OC)cc23)c1 5808126 CUDMSYWBEHUSMY-UHFFFAOYSA-N 378.428 4.640 0 40 GJAB CCCCCCn1c(O)c(C(=O)Nc2ccc(Cl)cn2)c(=O)c2ccccc21 5826073 ZBNACPWDMKUHEC-UHFFFAOYSA-N 399.878 4.588 0 40 GJAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2ccccc2c1 6252932 IEJQIHPJCSHQLP-UHFFFAOYSA-N 391.279 4.979 0 40 GJAB CC(=O)CCc1ccc(OCCCCN2CCCC[C@H]2c2cccnc2)cc1 6624526 ZDJWZOVLYUADGD-DEOSSOPVSA-N 380.532 4.989 0 40 GJAB biogenic CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c(C)c1 6629955 JZRZDMSWXNPLDK-UHFFFAOYSA-N 399.560 4.755 0 40 GJAB Cc1ccc2nc(NC(=O)c3nc(SC(C)C)ncc3Cl)sc2c1 6748110 SOAJHMKCMJWVQD-UHFFFAOYSA-N 378.910 4.801 0 40 GJAB Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(F)cc1)SCC(O)=N2 6921886 NSOSGJVRLNYHNF-CRAIPNDOSA-N 389.496 4.885 0 40 GJAB CCCn1nnnc1NCc1c(OCc2ccccc2F)ccc2ccccc12 7263300 UJDXDJQMORSLFZ-UHFFFAOYSA-N 391.450 4.567 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)c1ccc(Cl)s1 7478960 ZTTJONUZQHOAEL-UHFFFAOYSA-N 395.267 4.589 0 40 GJAB Cc1nnc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)o1 7734537 GHYWGIPQQSVCSX-UHFFFAOYSA-N 375.885 4.697 0 40 GJAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 7987923 VOGICOFNKBTHMI-GFCCVEGCSA-N 381.432 4.837 0 40 GJAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(N2CCCC2=O)cc1 8428345 YBONGXXRHLAFPW-UHFFFAOYSA-N 383.498 4.559 0 40 GJAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cc(C)ccc2C)c1 8476712 XLIRENFUFOUSDR-UHFFFAOYSA-N 388.515 4.922 0 40 GJAB Brc1ccc(-c2nnc(CSc3nc4ccccc4o3)o2)o1 9366152 USGJXYXPHBEYOZ-UHFFFAOYSA-N 378.207 4.526 0 40 GJAB O=C(c1csc(-c2ccsc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9390338 REHWNKLEUUELPC-MRXNPFEDSA-N 398.509 4.620 0 40 GJAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 9638453 CRYCJAMBYCDAMO-CQSZACIVSA-N 396.491 4.847 0 40 GJAB O=C(O)COc1ccccc1CN1C[C@H](c2ccccc2)C2(CCCCC2)C1 12228128 IODYZYBUZKAAOU-OAQYLSRUSA-N 379.500 4.700 0 40 GJAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)Nc1nccs1 12409950 IKEYUHRTMBFZIT-UHFFFAOYSA-N 385.392 4.726 0 40 GJAB c1ccc(-c2nnc(SCc3cn4ccsc4n3)n2-c2ccccc2)cc1 12589071 YFLFHXTVZSGBJD-UHFFFAOYSA-N 389.509 4.936 0 40 GJAB COc1cc(OC)cc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 12891760 UDNOMWSNCLHOAK-LJQANCHMSA-N 385.510 4.615 0 40 GJAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccccc1Cl 12980515 HWUFDTPENXOKOM-NRFANRHFSA-N 382.916 4.988 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 13668520 BSRRXMYQKMAWDK-INIZCTEOSA-N 383.488 4.875 0 40 GJAB COc1ccc(OCCC(=O)OCc2cc3ccc(C)cc3nc2Cl)cc1 15223129 PBSLMMBLLRFVHX-UHFFFAOYSA-N 385.847 4.718 0 40 GJAB O=C(OCc1nc(-c2ccsc2)no1)c1cccnc1Sc1ccccc1 16907340 JUDBYUYCBXUEBW-UHFFFAOYSA-N 395.465 4.701 0 40 GJAB Cc1ncsc1C(=O)NC1CCN(C[C@@H](c2ccccc2)C2CCCC2)CC1 19562262 WUJCTQOLPJOKQO-NRFANRHFSA-N 397.588 4.620 0 40 GJAB CCOc1ccc(CCC(=O)NCc2ccc(OC(C)C)cc2)cc1OCC 20489294 RRAUXIBKRDATKZ-UHFFFAOYSA-N 385.504 4.520 0 40 GJAB O=C(c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20806849 BUCRRGJOJIKMJQ-UHFFFAOYSA-N 396.490 4.980 0 40 GJAB CCN(CC)Cc1ccc(CNC(=O)Cc2csc(-c3ccsc3)n2)cc1 21960321 CKRZKMQDYDRSGT-UHFFFAOYSA-N 399.585 4.572 0 40 GJAB Cc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1C 27583158 ZBVRADBOLJECQT-CQSZACIVSA-N 385.851 4.721 0 40 GJAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ccc(Cl)c2cccnc12 31645487 OIPCJYWBFCYMCJ-UHFFFAOYSA-N 390.657 4.953 0 40 GJAB CSc1cccc(NC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)c1 33172509 OQOVLZMJJDUKMS-UHFFFAOYSA-N 394.525 4.872 0 40 GJAB O=C(COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)Nc1ccccc1 33327321 YJVGLSRXDIYTQH-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNC4CCCC4)cc23)cc1 35533910 UVGFZRPUWJMRIR-UHFFFAOYSA-N 398.510 4.721 0 40 GJAB Cc1ccc(SCCNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 38836741 SIPPOAJFIBEQMY-UHFFFAOYSA-N 382.573 4.893 0 40 GJAB CC(=O)Nc1ccc(SCC[S@](=O)c2cc(Cl)ccc2Cl)cc1 42570955 RPRVUHDZBMIYRZ-HSZRJFAPSA-N 388.341 4.852 0 40 GJAB CN(C)C(=O)c1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1 46385225 XHWSWUPNBLQBDH-UHFFFAOYSA-N 391.452 4.510 0 40 GJAB CC[C@H](NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 58009114 JBPCNQHUQHOSTO-SFHVURJKSA-N 394.943 4.945 0 40 GJAB O=C1C[C@H](c2ccccc2)N1CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 60112574 DERKASQXJSESQJ-LJQANCHMSA-N 375.299 4.889 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)cc3)oc12 67190093 JWRGZVAOYREECJ-BZZOAKBMSA-N 385.423 4.630 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72358081 XAQHZHQEHPTISU-IBGZPJMESA-N 381.476 4.554 0 40 GJAB O=C(c1cncc(Br)c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 78797178 WFXCMGMOMWSPFI-SFHVURJKSA-N 384.277 4.693 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](CSc2cccc(Br)n2)C1 83323381 BAXDOQQKPZKXCT-GFCCVEGCSA-N 387.343 4.583 0 40 GJAB Cc1nc2ccccc2nc1COC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 84057559 GPTSFZFNRGZGRU-GJZGRUSLSA-N 386.373 4.804 0 40 GJAB COCCn1c(C(=O)Nc2cc(C)ccc2C)cc2c1c1ccccc1n2C 96037231 BWCPBOLWNMEYTO-UHFFFAOYSA-N 375.472 4.649 0 40 GJAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)c1ccccc1Br 96104085 DCBBYQMKXQRGII-UHFFFAOYSA-N 388.309 4.568 0 40 GJAB O=C(Nc1cccc(Br)c1)c1cnc(-c2ccc(Cl)cc2)nc1 222603557 QLVVIDXDDAXKMU-UHFFFAOYSA-N 388.652 4.812 0 40 GJAB Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)cc1Cl 222761996 CFYDJZAQIMKVKI-MOPGFXCFSA-N 383.904 4.906 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 223269305 ZMYWUHMPKQBGNA-JOCHJYFZSA-N 394.559 4.568 0 40 GJAB O=C(NCCOCc1ccccc1)c1ccc(CSc2ccccc2)cc1 223393353 QDOYMBQCFFGSJF-UHFFFAOYSA-N 377.509 4.926 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)NC(C)(C)C 223584096 BKAODYZLUWWZAK-INIZCTEOSA-N 387.351 4.815 0 40 GJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccc(OC)c(OC)c1 224695552 QHJLKAGOTXPYAN-OXJNMPFZSA-N 397.515 4.617 0 40 GJAB CC(C)[C@@H](C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 225222569 ZYNJFFAVHCAEFF-HXUWFJFHSA-N 378.560 4.916 0 40 GJAB COc1cccnc1NC(=S)NC1(c2cccc(C(F)(F)F)c2)CCCC1 225875267 OMTDTKVSRRWXBC-UHFFFAOYSA-N 395.450 4.865 0 40 GJAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2C)c(Br)c1 226333087 XFTKRSNZHHMXSJ-PKNBQFBNSA-N 375.262 4.913 0 40 GJAB Cc1cncnc1[C@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 257265230 LXUZNVKXLJPDLP-FQEVSTJZSA-N 387.483 4.530 0 40 GJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)S1 260788407 ZVLNZFDLYYJSRA-VOBQZIQPSA-N 378.476 4.601 0 40 GJAB S=C(c1ccc(OCc2c(Cl)cccc2Cl)cc1)N1CCOCC1 408577701 UKOPMVPHEUYXNO-UHFFFAOYSA-N 382.312 4.580 0 40 GJAB CCCOC(=O)c1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1 408732129 SJBASWNEUMCRGK-QNGOZBTKSA-N 385.419 4.751 0 40 GJAB CCn1cc(CC(=O)N(Cc2cccs2)C23CC4CC(CC(C4)C2)C3)cn1 551560157 GUAKMWIPPCBVPY-UHFFFAOYSA-N 383.561 4.505 0 40 GJAB Cc1ccc(CC2CN(C(=O)Nc3cccc(OCc4cscn4)c3)C2)cc1 585100353 SZTYGPCVELQYMI-UHFFFAOYSA-N 393.512 4.737 0 40 GJAB CC(=O)N1CCCCCCCN(C(=O)C2[C@H]3CCCC[C@H]23)Cc2ccccc21 643553330 LZXIZPHHDAUBPH-SFTDATJTSA-N 382.548 4.768 0 40 GJAB CCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 645781 LBLSNMJCXPSWRC-UXBLZVDNSA-N 395.377 4.773 0 40 GJAB O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1Br 939669 JKTZPHUPNBGZLN-RMKNXTFCSA-N 382.051 4.830 0 40 GJAB Cc1ccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)cc4)c3C2=O)cc1 1405561 BFGOMHUPQOFFJC-UHFFFAOYSA-N 392.455 4.930 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)NCc1c2c(nc3ccccc13)CCCC2 1426315 QBEBLDOWQYTUCD-UHFFFAOYSA-N 394.902 4.771 0 40 GJAB CC[C@@](C)(C(=O)Nc1c(C)cccc1C)N(C)C(=O)c1ccc2ccccc2n1 2259811 PFMPLDKGEVISQW-DEOSSOPVSA-N 389.499 4.731 0 40 GJAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C(C)C)cc1 2448181 UMDXKVXNGLNOOM-HFZDXXHNSA-N 375.449 4.897 0 40 GJAB COc1ccc(Br)c(C(=O)Nc2ccc3nc(C)sc3c2)c1 2658143 SONLZBXQJRXREK-UHFFFAOYSA-N 377.263 4.628 0 40 GJAB C[C@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Oc2ccccc2)cc1 3284378 PUUMTHOCHGHSPE-AWEZNQCLSA-N 397.377 4.941 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 3347194 AMMFIRQBXXDZRD-UHFFFAOYSA-N 375.350 4.640 0 40 GJAB COc1cccc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)c1 4304728 NVLYPDIFUJYUFH-UHFFFAOYSA-N 375.453 4.547 0 40 GJAB Cc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816593 UJKPDXJMGINFQU-LEWJYISDSA-N 392.478 4.839 0 40 GJAB CCCCCC[S@](CCC)=NS(=O)(=O)c1ccc(Br)cc1 4974935 BICZWVIIVFLAJJ-HXUWFJFHSA-N 394.400 4.930 0 40 GJAB CC(C)(C)NC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 5126800 APWNFYODIOTZHT-UHFFFAOYSA-N 376.909 4.599 0 40 GJAB O=C(NCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1 5210255 QKULPNVJBDGYEZ-UHFFFAOYSA-N 375.859 4.668 0 40 GJAB C[C@@H]1CCc2sc(-c3nnc(SCc4cn5ccccc5n4)o3)cc2C1 6105968 WYZDGBGJZLJPIJ-GFCCVEGCSA-N 382.514 4.863 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 6148419 KQPISKNCYIHHJA-UHFFFAOYSA-N 375.453 4.929 0 40 GJAB Cc1c(Cl)ccc2c(C(=O)NC3CCN(C)CC3)cc(-c3ccccc3)nc12 6527099 IWCVDZWJRJDWRH-UHFFFAOYSA-N 393.918 4.688 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H]1CCSc2ccccc21 6852748 RGVBUZWMBJGZIX-MRXNPFEDSA-N 383.904 4.801 0 40 GJAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3ccccc3)c12 6857922 PDUMAHQSKVCPBR-UHFFFAOYSA-N 382.467 4.536 0 40 GJAB O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@H]1c1nc2ccccc2s1 7217456 HFSYZLIALBRNGV-AWEZNQCLSA-N 396.896 4.615 0 40 GJAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1sc2ccccc2c1Cl 7652641 VTDBZGATIYCSAD-NSHDSACASA-N 391.880 4.516 0 40 GJAB O=C(CSc1nnc(C2CC2)n1C1CC1)N(c1ccccc1)C1CCCCC1 7905204 AISSZFGONZEGKT-UHFFFAOYSA-N 396.560 4.948 0 40 GJAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(N2CCCCCC2)cc1 8146640 CRZVJCRPMHPDOD-UHFFFAOYSA-N 390.487 4.688 0 40 GJAB COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1OC 8383017 FIPPNEBVXAZRMC-UHFFFAOYSA-N 395.842 4.841 0 40 GJAB COc1cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2cc(C)cc(C)c2)ccc1O 8991495 GHOODVFEZWYJRW-QGZVFWFLSA-N 377.444 4.635 0 40 GJAB C[C@@H](C(=O)N[C@H](CO)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9052740 GSGIRQPJSSVRGZ-JLCFBVMHSA-N 392.886 4.928 0 40 GJAB COc1ccc(-c2nc(CC(=O)N(C)Cc3ccc(Cl)s3)cs2)cc1 9712535 BWIMIXKAVJBOMX-UHFFFAOYSA-N 392.933 4.735 0 40 GJAB CSc1cccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)c1 9784630 XYZYFMYQWKXBOT-UHFFFAOYSA-N 398.513 4.690 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3cc4cc(OC)ccc4o3)cs2)cc1 10882431 PYEQQMWHJRZFKO-UHFFFAOYSA-N 380.425 4.826 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)CCc3c[nH]c4ccccc34)cc2)cs1 12614190 KWPWUQXVWNKGLT-UHFFFAOYSA-N 375.497 4.849 0 40 GJAB CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccccc1 12654706 OVPHOCZRFYDQJL-MDWZMJQESA-N 381.863 4.842 0 40 GJAB COc1ccc(S(=O)(=O)NCCC2CCCCCC2)c(Cl)c1Cl 13613422 CLVDHPPSGADYQZ-UHFFFAOYSA-N 380.337 4.641 0 40 GJAB Nc1cc(-c2ccc(C(=O)c3ccccc3)c(N)c2)ccc1C(=O)c1ccccc1 15081946 FMSMPVMYWWHTAR-UHFFFAOYSA-N 392.458 4.980 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2F)c2cccnc12 15841104 ORVJRTSJXLJYTD-OAHLLOKOSA-N 382.435 4.959 0 40 GJAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3ccc(F)cc3)cc2n1 19116874 QEQUGOBKUSVOFT-INIZCTEOSA-N 378.373 4.533 0 40 GJAB CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2oc3ccc(C)cc3c2C)CC1 19220501 RUODYMYDSPKSOV-XMMPIXPASA-N 391.515 4.534 0 40 GJAB CC(C)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 19447760 BLUGUBRQZZPIEJ-LBPRGKRZSA-N 380.439 4.674 0 40 GJAB CN1CCN([C@H]2Cc3cc(Cl)ccc3Sc3cc(Cl)ccc32)CC1 19802494 FXNIZUNNLDFXGR-KRWDZBQOSA-N 379.356 4.989 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1C 20047074 JNCQEKYXRYUIHF-HNNXBMFYSA-N 395.927 4.913 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H](NCc2nc3ccccc3n2C)c2ccccc2)c1 25054976 ILGICLCWYYZAFF-DEOSSOPVSA-N 398.510 4.660 0 40 GJAB Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)cc1 27851369 LGUOCGUVDDCKII-LSDHHAIUSA-N 382.451 4.898 0 40 GJAB Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 27917039 NQIINVGAGMRCJL-UHFFFAOYSA-N 382.529 4.742 0 40 GJAB Cc1nc2cc(NC(=O)c3cc(-c4ccccc4)nc4onc(C)c34)ccc2o1 30028515 UEIPPGOFMUZXHH-UHFFFAOYSA-N 384.395 4.900 0 40 GJAB CCc1ccc(NC(=O)CSCc2cc(=O)c3cc(CC)ccc3[nH]2)cc1 33064285 SJLYCTMMLVNTSS-UHFFFAOYSA-N 380.513 4.525 0 40 GJAB O=C1c2cccc3cccc(c23)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21 40071812 FWNYJKXZSFUALS-SFHVURJKSA-N 392.458 4.969 0 40 GJAB O=C(Nc1cccc(N2CCOC2=O)c1)N[C@H](c1cccs1)C1CCCC1 48300412 MDXBAEXSEUVYBI-SFHVURJKSA-N 385.489 4.758 0 40 GJAB O=C1CSC(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)=N1 51330510 WEYCYEKZTKUHIW-VJGPPREKSA-N 387.508 4.912 0 40 GJAB Cn1ccnc1-c1nc(NCc2cccc(F)c2)ncc1-c1ccc(Cl)cc1 57775076 AGOSPPGVTMRYBZ-UHFFFAOYSA-N 393.853 4.949 0 40 GJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)cc1 59272854 ZMGWULLUQACHLZ-AREMUKBSSA-N 399.490 4.619 0 40 GJAB O=c1c2ccccc2c(-c2cccs2)nn1Cc1cccc(OC(F)F)c1 65233632 ISRDFPFQHSFLPU-UHFFFAOYSA-N 384.407 4.775 0 40 GJAB C[C@H](C(=O)Nc1ccc(Cl)cc1F)n1c(-c2cccs2)n[nH]c1=S 65511890 JZVZYQIYGDPCHS-MRVPVSSYSA-N 382.873 4.661 0 40 GJAB CCc1c(-c2csc(-c3cccc(-c4nnc(N)o4)c3)n2)[nH]c(C)c1C(C)=O 78612646 CVGFKKLLKPUBMN-UHFFFAOYSA-N 393.472 4.511 0 40 GJAB S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@H](C1)N2Cc1cccs1 100423773 ZKOYCPNDEQERFO-IAGOWNOFSA-N 391.993 4.884 0 40 GJAB COc1ccc(-c2csc(C3=C(O)CN(CCc4ccccc4)C3=N)n2)cc1 102720656 DWWMUPRZLQEHNW-UHFFFAOYSA-N 391.496 4.623 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)n1)c1cc(-c2cccnc2)nc2ccccc12 107040386 GWPMTMVSDOBHMS-UHFFFAOYSA-N 394.356 4.963 0 40 GJAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)c1 216034903 YMIOXWYENNMZCV-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(O)cc3)N21 222708253 HVNHJGGOJWWVHH-IPHXSNPTSA-N 390.512 4.557 0 40 GJAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1 222821447 BRGVGDZUEYQTSW-SFTDATJTSA-N 376.529 4.562 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(CC)cc2)cc1OCC 222891190 ASRPVFJYLZULCN-FQEVSTJZSA-N 385.504 4.520 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2ccccc2F)cc1 222893051 GELCUSOWXWLDSM-FQEVSTJZSA-N 375.509 4.595 0 40 GJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223212645 QYCPUPXUHHMJFX-JTQLQIEISA-N 394.283 4.918 0 40 GJAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223393426 JFZLPHRNDBCHHG-SFTDATJTSA-N 376.529 4.637 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl 225349986 JXRDTOYWCOXAOA-UHFFFAOYSA-N 393.314 4.951 0 40 GJAB COc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1F 225388556 MIWFGEGYUMWOAZ-UHFFFAOYSA-N 388.291 4.804 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1C 225758855 HZVYSYIFOBSCQI-LJQANCHMSA-N 381.545 4.868 0 40 GJAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C(=O)OCC 225831824 VTIAEJBMRBICAR-ZHRRBRCNSA-N 391.508 4.576 0 40 GJAB COCCC1(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCC1 225854752 IWPVUXOLPJSRKW-UHFFFAOYSA-N 380.863 4.995 0 40 GJAB O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 242691144 CWZIYEXXKCMILX-JTQLQIEISA-N 383.662 4.638 0 40 GJAB CCCCN(CCCC)CN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O 408725513 KZQQBFPROIIEED-NBVRZTHBSA-N 376.522 4.591 0 40 GJAB Cc1nc(CC(C)C)c(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)s1 1266139341 KTPRBYQEDFQKKK-AWEZNQCLSA-N 377.941 4.768 0 40 GJAB CC(C)(C)OC(=O)N(CCCOc1ccccc1C(=O)O)Cc1ccccc1 1886194953 OMVRQMHWFMQBRZ-UHFFFAOYSA-N 385.460 4.591 0 40 GJAB COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(OC)cc1 669092 QPIDYSCDKBOWDF-UHFFFAOYSA-N 381.453 4.771 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)ccc1C(C)C 946922 ASMPRMOXKPJIGM-UHFFFAOYSA-N 383.488 4.949 0 40 GJAB COc1ccc(-c2cc3nc4c(c(NCc5ccccc5)n3n2)CCCC4)cc1 1341532 OKUAKKNDRMXAFP-UHFFFAOYSA-N 384.483 4.896 0 40 GJAB c1ccc(CN(Cc2ccccc2)c2cc(-c3ccccc3)nc3ncnn23)cc1 2506054 XDFAXRPVEYKSDY-UHFFFAOYSA-N 391.478 4.998 0 40 GJAB COc1ccc(-c2nsc(SCC(=O)c3ccc(Cl)cc3)n2)cc1 3007401 CZSJGJAOZPMGGA-UHFFFAOYSA-N 376.890 4.842 0 40 GJAB O=C(Nc1sc2c(c1C(=O)N1CCCCCC1)CCCC2)c1ccccc1 3098239 KHFUIRPQGGEITN-UHFFFAOYSA-N 382.529 4.895 0 40 GJAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 3192130 NODXLNHCPGPIBR-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1oc2ccccc2c1COc1ccccc1 3461951 XDLMVQKSIAUKNP-UHFFFAOYSA-N 387.391 4.993 0 40 GJAB COc1ccc(Br)c(C(=O)Oc2cc(Cl)ccc2Cl)c1 3554846 ISSMSXGSKXTGAZ-UHFFFAOYSA-N 376.033 4.984 0 40 GJAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Br)c1OCC 4689922 WXUDWMXRQSDOQK-ZROIWOOFSA-N 388.261 4.739 0 40 GJAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)cc1)C2 4910724 AYGPFEFXZVSFDS-QGZVFWFLSA-N 383.488 4.982 0 40 GJAB Cc1nc2ccc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)cc2s1 5267513 BSWIRTPIMJANTK-UHFFFAOYSA-N 390.390 4.612 0 40 GJAB CC(C)n1cnnc1S[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 5417277 ZQQLLIHHDUBJOA-INIZCTEOSA-N 396.516 4.557 0 40 GJAB C[C@H](OC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 6083827 IKBFHVIKCSBURN-ZDUSSCGKSA-N 396.270 4.723 0 40 GJAB CCC(=O)c1cn(CC(=O)Nc2ccc(Br)cc2)c2ccccc12 6308279 XQHILXIOKFILBC-UHFFFAOYSA-N 385.261 4.635 0 40 GJAB COc1cc(CC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)cc(OC)c1OC 6789891 GPIZJHFUOJWNMW-QHCPKHFHSA-N 399.531 4.892 0 40 GJAB Cc1nc2cc(C(=O)OCc3nc4ccccc4o3)ccc2n1-c1ccccc1 7901450 NNYDJJJJVLKQPF-UHFFFAOYSA-N 383.407 4.832 0 40 GJAB Cc1nc(Cc2nnc(SCC(=O)c3cccc4ccccc34)o2)cs1 8131416 RKIDVHKSSQXKPA-UHFFFAOYSA-N 381.482 4.554 0 40 GJAB Brc1ccccc1-c1nnc(CSc2nc3ccccc3o2)o1 8191530 KPGUVDJENSKZFZ-UHFFFAOYSA-N 388.246 4.933 0 40 GJAB C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1Cl 8303638 WUHQPYVPPCACQZ-ZDUSSCGKSA-N 391.298 4.540 0 40 GJAB O=C(c1ccc(Cl)cc1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O 9010417 NHYFFWADMRMXRZ-UHFFFAOYSA-N 392.842 4.617 0 40 GJAB CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3C)c3ccccn23)cc1 9316467 SIMGHKJWFYSKDV-UHFFFAOYSA-N 397.478 4.876 0 40 GJAB Cc1nc(COc2ccccc2C(=O)OCc2ccc(Cl)cc2Cl)no1 9577602 SOYLQIPVZVWWBJ-UHFFFAOYSA-N 393.226 4.621 0 40 GJAB Fc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCCC3)n2)cc1 10213505 RLCFJCRNQCQIOS-UHFFFAOYSA-N 384.846 4.752 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 10684114 BTHHYHHKJQVWCB-OAHLLOKOSA-N 388.895 4.503 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncc(-c3ccc(F)cc3)[nH]2)c1C 12538429 MOLRTAWSMPHSMI-CYBMUJFWSA-N 385.464 4.727 0 40 GJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)NCCC1=CCCCC1 12700311 AFGJMMTWWIVEOL-MRXNPFEDSA-N 396.560 4.632 0 40 GJAB O=C(Nc1ccccc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13063262 BKBXORGEARAYNW-UHFFFAOYSA-N 383.801 4.609 0 40 GJAB COc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)c(OC)cc1Cl 14381576 IKBXYFTWNBYJRM-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB CC1CCC(N(C)C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)CC1 18147685 LLWIWECIJHMJFK-UHFFFAOYSA-N 392.543 4.729 0 40 GJAB O=C(CC[C@H]1CCCO1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 19293004 DZMFMNWACBKMAT-GFCCVEGCSA-N 385.316 4.938 0 40 GJAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2cccc(Cl)c2Cl)o1 20140147 PUXYMOZJDWBWML-UHFFFAOYSA-N 392.194 4.910 0 40 GJAB CC(C)COc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20142005 KGZXSZMVBNUBFD-UHFFFAOYSA-N 382.243 4.979 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1c(F)cccc1Cl 20456259 QOLJHLYDBKFWGU-SFHVURJKSA-N 399.890 4.825 0 40 GJAB CCc1cccc(C)c1NC(=O)CN(CC)Cc1ccc(Br)s1 20814833 RFWMYYOAKMOZOC-UHFFFAOYSA-N 395.366 4.842 0 40 GJAB COC(=O)CCCCCNC(=O)c1ccccc1SCc1cccs1 21970258 LAEVWZMDGOCMAB-UHFFFAOYSA-N 377.531 4.504 0 40 GJAB CCn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c2cc(OC)ccc21 22235788 QDZJVAZISPCTJM-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB CCN(CC)[C@@H](CNC(=O)COc1ccc(C)c(C)c1)c1ccccc1Cl 27579712 RXBLXBOUFJMNGG-NRFANRHFSA-N 388.939 4.535 0 40 GJAB Cc1ccc2nc(NC(=O)c3cccc(Cn4nc(C)cc4C)c3)sc2c1 27970881 ONDVEGXBBBKJOO-UHFFFAOYSA-N 376.485 4.719 0 40 GJAB CSc1ccc(C)c(C(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)c1 32932479 QCARHCTTYGCBBL-OAQYLSRUSA-N 390.508 4.827 0 40 GJAB Cn1nc(C(F)(F)F)c(/C=C\C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl 33376515 KGFLWSSUVPLRIS-SREVYHEPSA-N 397.706 4.763 0 40 GJAB CC1CCN(Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)CC1 35818579 NBGNLNNEXSPENR-UHFFFAOYSA-N 390.449 4.867 0 40 GJAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)c1 36365186 UMOHVQDHHWTODD-INIZCTEOSA-N 383.835 4.667 0 40 GJAB CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(OC)cc2)nc2onc(C)c12 36617444 JRBOHSAHEZVEDD-INIZCTEOSA-N 379.460 4.612 0 40 GJAB O=C(CNc1ccc(OC(F)F)c(Cl)c1)N[C@@H]1CCCc2ccccc21 39606334 NRQNRMKCXMHVDU-MRXNPFEDSA-N 380.822 4.547 0 40 GJAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 40128163 OGWNOBSHHBWMAP-MRXNPFEDSA-N 391.437 4.826 0 40 GJAB Cc1c(Br)cn2cc(-c3ccc(F)cc3)nc2c1Br 40383924 AYJZAHHMQQQJGA-UHFFFAOYSA-N 384.046 4.974 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1C 43037424 BWJSFLQCQPPZPH-QZTJIDSGSA-N 378.472 4.618 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(=O)OC)ccc1C 44885699 IPHPAXRLUTZCQH-OAQYLSRUSA-N 377.440 4.731 0 40 GJAB COc1cc(C(C)=O)ccc1OCc1cccc(C(=O)Nc2ccccc2)c1 54175306 WEUCXJCQPVZJIA-UHFFFAOYSA-N 375.424 4.729 0 40 GJAB Cc1nc(C)c([C@H](C)NC(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)s1 56486702 VBQXUSWRDQAIKO-INIZCTEOSA-N 387.549 4.691 0 40 GJAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NC1CCCCCC1 58367388 XFYUMHNBCREKLE-UHFFFAOYSA-N 393.453 4.889 0 40 GJAB O=C(N[C@H](c1ccccc1)c1ccncc1)c1csc(-c2cccs2)n1 61210810 QDCRWGANJHVIRG-GOSISDBHSA-N 377.494 4.786 0 40 GJAB Cc1cc(SCC(=O)Nc2ccc(Cl)cc2)nc(-c2ccc(F)cc2)n1 67257195 VCSYCPSRULKMSQ-UHFFFAOYSA-N 387.867 4.975 0 40 GJAB O=C(c1ccncc1)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357827 VVEJCUYBQNMHEO-OAQYLSRUSA-N 377.875 4.698 0 40 GJAB C[C@H]1CCCN(C(=O)CC2(CC(=O)N3CCC[C@H](C)CC3)CCCC2)CC1 78528505 JSIFUNCNDMRTCQ-PMACEKPBSA-N 376.585 4.624 0 40 GJAB CCN1CC[C@H](N(C)Cc2cc3ccc(SC)cc3nc2Cl)[C@H](C)C1 78969724 PGEKTUCFYIHRFP-KUHUBIRLSA-N 377.985 4.772 0 40 GJAB Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl 84673289 BIOXONBFNPPHQH-CQSZACIVSA-N 390.723 4.747 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3cnc(-c4cnn(C)c4)s3)sc2C)cc1 95958388 JIZXLYNRSCXGFV-UHFFFAOYSA-N 395.513 4.536 0 40 GJAB O=C(Nc1cccc(Cl)n1)c1oc2ccccc2c1CSc1ncccn1 95962928 SDQFQWMWZWRPFN-UHFFFAOYSA-N 396.859 4.816 0 40 GJAB CC(=O)Oc1ccc(-c2cccc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2)cc1 102245511 GSJVRRGLJLPSLU-OCZPFTLSSA-N 377.484 4.833 0 40 GJAB COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@@H](c3cccs3)CC(O)=C21 102754469 CCSNQPQREKKEIN-ADLMAVQZSA-N 394.456 4.769 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c(C)c1 219041848 UEZAVQJIJURBQK-INIZCTEOSA-N 377.440 4.731 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)CSCc2ccccc2F)cc1 222704277 JKAJAILIWLWXQY-UHFFFAOYSA-N 375.465 4.655 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222711949 UQSYPRZVRROUNE-OXJNMPFZSA-N 391.467 4.646 0 40 GJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1F 223208780 IYVKCGLRIQVWAL-INIZCTEOSA-N 387.520 4.521 0 40 GJAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COCc1ccccc1 224352943 UFWGINHWDJQWLI-UHFFFAOYSA-N 391.467 4.981 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2nnc(SC(C)C)s2)cc(C)c1Cl 224543635 KERMHHRFNUGAMW-LLVKDONJSA-N 385.942 4.715 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(OC)cc1 225486917 SCLMNFOJJQOTTI-MRXNPFEDSA-N 379.323 4.895 0 40 GJAB CCc1ccc([C@@H](C)NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225513963 UTCKSGMYZCNNIY-MRXNPFEDSA-N 375.534 4.729 0 40 GJAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cnc(OCCOC)c(C)c1 225906778 PEFIVYLBUNSWHM-UHFFFAOYSA-N 394.556 4.611 0 40 GJAB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)NC(CO)CO 255996710 QHELXIATGZYOIB-BHVWNTRMSA-N 377.569 4.602 0 40 GJAB O=C(O)c1cccn(C[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1=O 257322718 WHBKGIWKAWULTH-SFHVURJKSA-N 392.842 4.513 0 40 GJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)C3CCCCC3)CC2)n1 257333627 YCINVCVSLLYQON-UHFFFAOYSA-N 381.520 4.894 0 40 GJAB FC(F)(F)c1ccnc(N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 572940055 FMRBGSGJMDBISX-ZDUSSCGKSA-N 381.789 4.757 0 40 GJAB COc1ccc(-[n+]2c(-c3ccc(-c4ccccc4)cc3)cn3c2COCC3)cc1 1779554 NERIKACANMDJAU-UHFFFAOYSA-N 383.471 4.638 0 40 GJAB CC(C)COC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2247441 AEQAQGPXFYKWDO-UHFFFAOYSA-N 392.503 4.870 0 40 GJAB COc1cccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]23)c1OC 4535153 DRMWSOVOERZZOW-HMLKNOLNSA-N 379.456 4.699 0 40 GJAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3CCC[C@@H](C)C3)s2)cc1 4835699 XJUXXTPUNWVZSY-CQSZACIVSA-N 390.578 4.756 0 40 GJAB CCCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccco1 4861137 JLSNWSADPIKRTG-UHFFFAOYSA-N 390.896 4.722 0 40 GJAB Cc1nc2cc(-c3cccc(Cl)c3)nn2c(NCC(C)(C)CN(C)C)c1C 4980203 DTSYPAPIKNLFAK-UHFFFAOYSA-N 385.943 4.666 0 40 GJAB CCN(CC)CCCNC(=O)C[C@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1 5347385 KWYSEVUPMHGZGK-FGZHOGPDSA-N 388.596 4.522 0 40 GJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 6357284 YYHYQYOFXMGBLO-UHFFFAOYSA-N 395.286 4.539 0 40 GJAB O=C(NCc1nc2ccccc2n1CCCCOc1ccccc1)c1ccccc1 6753126 MNSGRMSMUFRDPM-UHFFFAOYSA-N 399.494 4.826 0 40 GJAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cc(Cl)c2c(c1)OCCO2 6822384 SHUSCQNTTGSGRX-BQYQJAHWSA-N 392.842 4.929 0 40 GJAB c1cc2c(cc1SCc1nnc(-c3cc4c(s3)CCCC4)o1)OCCO2 6852026 JJPVHSDEQKWQOE-UHFFFAOYSA-N 386.498 4.740 0 40 GJAB CC(C)n1ncc2c(C(=O)NCCc3ccc(Cl)cc3)cc(C3CC3)nc21 8226305 GIIKYXPGXSUWKR-UHFFFAOYSA-N 382.895 4.516 0 40 GJAB CCOc1ccc(OCCNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 8387934 CMAXSTMDXJBSTF-KRWDZBQOSA-N 393.483 4.546 0 40 GJAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 8625812 VEDRMTUJYYIWOE-LJQANCHMSA-N 397.478 4.614 0 40 GJAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cn1 8714684 ZUMDVEWZSWKKDB-UHFFFAOYSA-N 389.304 4.677 0 40 GJAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1Oc1ccccc1 10785420 ORYJJYONDWJZCS-UHFFFAOYSA-N 383.451 4.937 0 40 GJAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(C)cc2)OC3=O)cc1 12274571 PTFWQVLOWXFXJR-QHCPKHFHSA-N 399.446 4.904 0 40 GJAB Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccccc4F)ccc3C(=O)O2)cc1 12274862 CWWXNIPUUOJBCA-OAQYLSRUSA-N 375.399 4.841 0 40 GJAB Cc1ccc(Oc2ccc(OCC(=O)N3CCC[C@@H]3c3cccnc3)cc2)cc1 12553082 OERAIMONJOFMLB-HSZRJFAPSA-N 388.467 4.925 0 40 GJAB Cc1nn(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)c(=O)c2ccccc12 12815691 JROYDLKGKIDOCA-HSZRJFAPSA-N 387.458 4.523 0 40 GJAB COc1ccc(CCNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 15513608 HRPIFOXDVYEWBR-UHFFFAOYSA-N 398.462 4.990 0 40 GJAB CCOc1ccc(-n2c3c(c(SCc4ccc(C)cc4)nc2=O)CCC3)cc1 15840494 DYNMZJSVPAPLFN-UHFFFAOYSA-N 392.524 4.721 0 40 GJAB CCOc1ccccc1Nc1ncnc2c1cnn2-c1cc(Cl)ccc1C 17316103 XNSSRCFQTKTJNS-UHFFFAOYSA-N 379.851 4.920 0 40 GJAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1OC 20460135 LNZXEAXWKYITIL-HOTGVXAUSA-N 379.456 4.502 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1OCC 20488594 IDZGHZIFVMBDEU-IBGZPJMESA-N 385.504 4.575 0 40 GJAB CCOc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)C[C@@H](C)C3)cc1 20796847 TVQDVKBNTDAZOV-HNNXBMFYSA-N 391.471 4.788 0 40 GJAB Cc1ccccc1OCC(=O)Nc1cc(-c2cccs2)nn1-c1ccccc1 21102314 NLHVXXQBKIIJIA-UHFFFAOYSA-N 389.480 4.927 0 40 GJAB COC(=O)c1ccc2c(=O)[nH]c(/C(Cl)=C/c3ccc4ccccc4c3)nc2c1 21191322 WDXCQATYJIWYMI-WQRHYEAKSA-N 390.826 4.600 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccc(Cl)cc1 22907813 ZLOJHALWYYFTNW-HXUWFJFHSA-N 396.943 4.931 0 40 GJAB Cc1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)oc2ccccc12 27747660 KPRKIFZSEYRPMF-LJQANCHMSA-N 382.891 4.962 0 40 GJAB CCCCOc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)c1 27794967 LDAJYIOPAQFLQL-FQEVSTJZSA-N 386.561 4.884 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c(Cl)c1 30849234 RYWIBDWWGHVDJQ-OAHLLOKOSA-N 389.879 4.848 0 40 GJAB CC(C)(C)C(=O)Nc1cccc(NC(=O)CCC(=O)c2ccc(Cl)s2)c1 32906975 CSGFFGLYKZIWGB-UHFFFAOYSA-N 392.908 4.988 0 40 GJAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3cc2C)cc1C 35292444 GFWHEWJABZYKEO-UHFFFAOYSA-N 393.512 4.931 0 40 GJAB O=C(Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1)NCc1cccs1 38716175 CCFYTADDSJJPLH-UHFFFAOYSA-N 399.903 4.904 0 40 GJAB CC(C)(C)C[C@H](NC(=O)Nc1ccccc1CN1CCOCC1)c1ccccc1 48235272 RQPUJFHPRGCJDY-QFIPXVFZSA-N 395.547 4.818 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1S[C@@H](C)C(=O)OC 58198216 OLUHXYWHQKDLCB-LBPRGKRZSA-N 397.949 4.717 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)/C=C/C(C)(C)C)CC2 72284628 CDPOGYMQPZVZPY-DJGBTNNQSA-N 385.529 4.842 0 40 GJAB CC[C@H](NC(=O)CSc1cccc2cccc(Cl)c12)c1noc(C)n1 72309280 WZYSTIZMMSDFBP-AWEZNQCLSA-N 375.881 4.544 0 40 GJAB Cc1nn2c(C3CCN(C(=O)OC(C)(C)C)CC3)ccnc2c1-c1cccs1 72334644 QONPKOOYASINFA-UHFFFAOYSA-N 398.532 4.881 0 40 GJAB Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1nc(-c2ccccn2)cs1 72405255 UYWBXIYMKOHCCM-UHFFFAOYSA-N 395.875 4.511 0 40 GJAB CCOC(=O)c1cn(Cc2cccc(C)c2)c2ccc(C(F)(F)F)cc2c1=O 199732945 SDEZXVGUCNCMQZ-UHFFFAOYSA-N 389.373 4.554 0 40 GJAB O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)NC(=S)N1C1CCCCC1 210215413 DBTSJDMZYIWHTD-QNGOZBTKSA-N 392.524 4.656 0 40 GJAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(C)c(C)c1 224286687 CIXQWVISEBAFBX-UHFFFAOYSA-N 389.495 4.864 0 40 GJAB C[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224292406 RLCPPXMAWPIKGF-HNNXBMFYSA-N 375.896 4.600 0 40 GJAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1Br 226254733 DOHOYZPBAWFESD-ZDUSSCGKSA-N 388.309 4.662 0 40 GJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CCC23OCCO3)C1 253595454 DPBGWNOQXKBDCB-QSZFMGJTSA-N 376.537 4.704 0 40 GJAB COc1cc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)ccc1OC(C)C 257204673 AVVCFRDAGBYEIG-PLHKFMOSSA-N 389.536 4.643 0 40 GJAB O=C(c1ccccc1)N1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257261779 LITYUMMLCFKLHJ-JOCHJYFZSA-N 392.886 4.540 0 40 GJAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N[C@H](c1ccsc1)c1cccs1 390826496 MRFZNGUCTDHGCT-LJQANCHMSA-N 397.500 4.869 0 40 GJAB S=C(c1cccc(OCc2c(Cl)cccc2Cl)c1)N1CCOCC1 408573298 JRQYQBFPMRYAPK-UHFFFAOYSA-N 382.312 4.580 0 40 GJAB CCOc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(F)cc1 408577867 VBMLBVVPZPMJSU-UHFFFAOYSA-N 385.460 4.862 0 40 GJAB COc1ccc2c(c1)Cc1sc(NC(=O)c3cc(Cl)ccc3OC)nc1-2 409054807 VLRGKACFHIXKPS-UHFFFAOYSA-N 386.860 4.637 0 40 GJAB Cc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccc4c(c3)CCC4)s2)cc1 1379083 ATKBHPCMMTXFNF-UHFFFAOYSA-N 391.496 4.753 0 40 GJAB O=C(COC(=O)c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1 3229428 ASEQSLNEZRESMS-UHFFFAOYSA-N 380.827 4.959 0 40 GJAB COc1ccc2oc(C(=O)OCC(=O)c3c(C)[nH]c4ccccc34)c(C)c2c1 3296088 ZGTNWIHQKZTKCS-UHFFFAOYSA-N 377.396 4.579 0 40 GJAB CCC(CC)NC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 3301173 KUEFAUDCSNNMRF-UHFFFAOYSA-N 378.567 4.802 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(Cl)c1 4548635 FARSPQIMZCOFBJ-UHFFFAOYSA-N 377.828 4.568 0 40 GJAB CC(C)Cn1c(SCC(=O)c2ccccc2)nc2ccc(Cl)cc2c1=O 5449829 JMBUDVRANFDKPN-UHFFFAOYSA-N 386.904 4.681 0 40 GJAB O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccccc1C(F)(F)F 5583906 HKJULYUZDKERSA-UHFFFAOYSA-N 377.149 4.974 0 40 GJAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1 5868332 GPBZABQUBPNLDI-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB Cc1cccc(C)c1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 6056784 INTNAOYPKMJYHZ-CYBMUJFWSA-N 396.270 4.559 0 40 GJAB COc1ccc(CN2C(=O)/C(=C\Nc3ccc(C)cc3)c3ccccc3C2=O)cc1 6204210 ACKKTVDGCLNRRZ-HAHDFKILSA-N 398.462 4.639 0 40 GJAB COc1ccc(CCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 6280102 KONOZVRXZRYFTB-UHFFFAOYSA-N 382.485 4.707 0 40 GJAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)cc1 6532057 YOWQPDRDJUMVDZ-OAHLLOKOSA-N 393.512 4.576 0 40 GJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc(C)cc(C)c2)cc1 6630393 RZTQCFAPELIATR-UHFFFAOYSA-N 388.467 4.722 0 40 GJAB CCN(CC)Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 6949643 SGMUGKICQYHWTR-UHFFFAOYSA-N 381.303 4.853 0 40 GJAB CC(C)n1ncc2c(C(=O)N3CC=C(c4ccccc4)CC3)cc(C3CC3)nc21 7191889 MGBCUUXJWORYTG-UHFFFAOYSA-N 386.499 4.819 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(C3CC3)n2C)c2ccccc2)c1 7235162 JFHMDQIDAZKAPL-IBGZPJMESA-N 392.528 4.781 0 40 GJAB Cn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2ccccc21 7344323 QYRDFNXQGKFNQR-UHFFFAOYSA-N 399.825 4.976 0 40 GJAB O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1cccc(F)c1 7573262 JMCPHLDOSHFXCT-UHFFFAOYSA-N 376.435 4.525 0 40 GJAB COc1ccccc1CN(Cc1cccs1)C(=O)COc1ccccc1C 7596882 DKJLWQHJKAQQQK-UHFFFAOYSA-N 381.497 4.673 0 40 GJAB COc1cc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc(OC)c1OC 7686053 JHGCOARGWHSTSO-JOCHJYFZSA-N 391.467 4.540 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 7981536 MADDYDGQKGNMEG-UHFFFAOYSA-N 396.450 4.750 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCc2cc(Cl)c3c(c2)OCCO3)cc1 8721462 GTVCUFWZMOYSHC-UHFFFAOYSA-N 387.892 4.601 0 40 GJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(C)c4)sc3n2)cc1 9569652 LIXSSPLMAGBEND-UHFFFAOYSA-N 377.469 4.941 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)N(c3ccccn3)[C@H](C)c3ccco3)cc2)n1 12537141 SHZILMGBBKELNT-GOSISDBHSA-N 386.455 4.885 0 40 GJAB Cc1cc(C)cc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)c1 12627366 MGYKLKUGJFQXQG-JOCHJYFZSA-N 383.495 4.904 0 40 GJAB Cc1cccc2c(=O)[nH]c(CN3CCCC[C@H]3c3nc4ccccc4s3)nc12 12801813 YSNMOFMIUVHDLI-KRWDZBQOSA-N 390.512 4.568 0 40 GJAB O=C(Nc1ccc(NC(=O)c2cccs2)c(C(F)(F)F)c1)c1ccco1 12939718 QRORMUIYNOEABH-UHFFFAOYSA-N 380.347 4.865 0 40 GJAB C[C@@H](NC(=O)CN(Cc1ccco1)Cc1ccco1)c1ccc2c(c1)CCCC2 12987474 ZMRKARBMWQTLRF-GOSISDBHSA-N 392.499 4.631 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1ccccc1Br 13667647 RSCPFUJTOKOHOZ-CYBMUJFWSA-N 376.319 4.660 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(Br)cc1 15581968 CODVTBOAMILKGK-UHFFFAOYSA-N 384.321 4.601 0 40 GJAB O=C(N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1)c1ccco1 15778672 QDJCUPJAAPLKGW-QGZVFWFLSA-N 379.803 4.502 0 40 GJAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2cccnc12 15840647 FSTBDSMLHQQCAS-AWEZNQCLSA-N 384.863 4.920 0 40 GJAB Cc1cc2oc(C(=O)N(Cc3ccccc3)c3ccccn3)cc(=O)c2cc1C 16788550 XPDXWTMXMRDQFO-UHFFFAOYSA-N 384.435 4.652 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)cc1 16841011 YKDHWTNZMSUUBD-UHFFFAOYSA-N 386.860 4.928 0 40 GJAB CCOc1ccc([C@H]2N[C@@H](c3nc(C)cs3)Cc3ccsc32)cc1OC 19519855 OLKHVVXQUWSAPF-CRAIPNDOSA-N 386.542 4.897 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1Cl 20112227 RYJSDAUGKWFCHD-VQHVLOKHSA-N 386.282 4.817 0 40 GJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(C(=O)O)c(Cl)c1 20144523 KZDRWFMLNDFOMY-UHFFFAOYSA-N 388.634 4.671 0 40 GJAB CC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c1 21908029 TYWCQKHTKMJPDF-UHFFFAOYSA-N 380.473 4.539 0 40 GJAB Cc1ccc(F)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 22386007 CAUGFRDLSVFAIU-UHFFFAOYSA-N 377.341 4.899 0 40 GJAB CCOc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 22461635 BJBAFRJRHKXBSW-UHFFFAOYSA-N 379.460 4.830 0 40 GJAB COCCn1c(SCc2nc3ccccc3n2C(F)F)nc2ccccc21 23043537 OBWRVJQFJYNUGS-UHFFFAOYSA-N 388.443 4.720 0 40 GJAB Fc1ccc(-c2noc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1 23989550 NJHWPLJIOHDJMX-OAHLLOKOSA-N 394.475 4.865 0 40 GJAB COc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1OC1CCCC1 24507175 SASPNSCLUIOEOX-UHFFFAOYSA-N 381.259 4.971 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cccc(OC(F)F)c1 24746523 HBTZCVCHJIDEOF-UHFFFAOYSA-N 388.395 4.599 0 40 GJAB COC(=O)c1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1Cl 26883581 RMNKMDQNDGTJCR-UHFFFAOYSA-N 382.243 4.576 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28237202 XXAAOYUMXIWSAB-KRWDZBQOSA-N 384.483 4.771 0 40 GJAB Cc1nc(C2(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)CCCCC2)no1 29058268 MUYQDRMOWLUOIE-UHFFFAOYSA-N 399.535 4.810 0 40 GJAB COc1ccccc1NC(=O)COc1ccccc1-c1nc2ccccc2s1 32958141 QOMKWUVYCBBHAH-UHFFFAOYSA-N 390.464 4.989 0 40 GJAB Cc1ccc(-c2nc(CC(=O)N[C@H]3CCSc4ccc(F)cc43)cs2)o1 46175435 MFDSJZWRFYYZIL-HNNXBMFYSA-N 388.489 4.746 0 40 GJAB CC(C)n1ncc2cc(C(=O)O[C@@H](C)c3nc4ccccc4n3C(F)F)cnc21 54277392 RFDPACKDKHZSRB-LBPRGKRZSA-N 399.401 4.675 0 40 GJAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(Cc1ccco1)C3 55393786 LULNLTCAHQZOBC-UHFFFAOYSA-N 387.435 4.637 0 40 GJAB biogenic CC(=O)c1ccc(N2CCN(Cc3cc4ccc(C)cc4nc3Cl)CC2)cc1 58135250 WWZUVAVTSSRZRX-UHFFFAOYSA-N 393.918 4.721 0 40 GJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(Br)cc2Cl)c1 59351430 NITHZDTVSVULEP-CYBMUJFWSA-N 396.712 4.976 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(C)cc(C)c3)oc12 67293438 LSXYTDVRDLVQIA-LCUIJRPUSA-N 399.450 4.938 0 40 GJAB COc1cc(NC(=O)N[C@H](c2cccs2)C(C)(C)C)ccc1NC(C)=O 69491489 IRPBGDDHURMPFK-QGZVFWFLSA-N 375.494 4.624 0 40 GJAB CCCOc1c(Cl)cc(C(=O)NC(CC)(CC)C(F)(F)F)cc1OC 72306388 OHIBNKJZFSEZGO-UHFFFAOYSA-N 381.822 4.988 0 40 GJAB Cc1ccccc1OCc1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 72333567 VQRLSPMZNKBAOT-UHFFFAOYSA-N 380.517 4.541 0 40 GJAB CCCC(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(=O)NCC)C1 72391198 ZGJIAINLGXWNMX-HSZRJFAPSA-N 398.572 4.503 0 40 GJAB CCOC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccc(OC)cc1 85397578 YXKMJPVTOAMANQ-UHFFFAOYSA-N 383.469 4.883 0 40 GJAB CCOc1ccc(/C=C/C(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1 89991060 YROBGBUGCFCOQH-SDNWHVSQSA-N 385.467 4.652 0 40 GJAB CCC/C=C/[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 97447421 LEGASQCHXAQKOE-PZVJUEDKSA-N 379.456 4.725 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(OC)c3)N21 222656766 PTOQCHSLXDYLBA-MAODMQOUSA-N 397.544 4.857 0 40 GJAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccccc3)c2)c1 224088568 SQDWNRXTELWPCB-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB CCc1ccc(OCCNC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1 224456905 UBGDIEVKVAZZGV-QFIPXVFZSA-N 377.484 4.755 0 40 GJAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 224591029 PTFQZJUQRAPCPG-SJORKVTESA-N 387.917 4.679 0 40 GJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCCc3ccccc3)o2)cc1 224906982 FTVBFJOLXOALNH-UHFFFAOYSA-N 398.462 4.990 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1C(C)C 224969905 LLPMJCDZPBATHD-UHFFFAOYSA-N 388.533 4.610 0 40 GJAB CCN(CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(C)cc1 224992902 ZWLOJKJXTBCDAM-UHFFFAOYSA-N 388.939 4.839 0 40 GJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(C(C)(C)C)cc1 225181910 UCSMVNHJXTWABE-GOSISDBHSA-N 395.543 4.825 0 40 GJAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 225182808 RPSQBIAFZGGHQV-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 225202794 KHLARHYPGKUODA-OAQYLSRUSA-N 381.472 4.538 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 225257733 YMFDCSULJBEIIK-UHFFFAOYSA-N 385.423 4.659 0 40 GJAB Cn1cc(Oc2ccccc2C(=O)N2CC3(CCCC3)c3c(F)cccc32)cn1 509905159 NPVJQIZVRXORGI-UHFFFAOYSA-N 391.446 4.824 0 40 GJAB Cc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)ccc1C(=O)N(C)C 524853501 PPKTWERZYKFBKS-UHFFFAOYSA-N 397.862 4.566 0 40 GJAB CCOc1cccc(NC(=O)Nc2cc(OC)c(Br)c(OC)c2)c1 537250647 LKZXWVVYFLJWNN-UHFFFAOYSA-N 395.253 4.509 0 40 GJAB Cn1cc([C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)Cc3ccccc32)cn1 575619007 LAQLVVHAEIGXMJ-QGZVFWFLSA-N 386.282 4.515 0 40 GJAB Cc1ccnc([C@@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 1142562811 NDRITEKINOBFGV-CQSZACIVSA-N 385.389 4.962 0 40 GJAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(Oc3ccccc3)cc1)OCO2 682910 BEVMJNHHJCMAKR-UHFFFAOYSA-N 375.380 4.663 0 40 GJAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 869886 FTQPOLWBAPCAEK-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB CCn1c(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21 884839 QPTWXAVLOZYPNQ-UHFFFAOYSA-N 389.459 4.656 0 40 GJAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccccc1Cl 888482 AIMFFLNNZNMRQM-UHFFFAOYSA-N 389.933 4.954 0 40 GJAB CCn1c(CSc2nc(C)cc(C)n2)nnc1SCc1ccc(C)cc1 903444 VKRJVOXUVRJQTI-UHFFFAOYSA-N 385.562 4.598 0 40 GJAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 1058019 DJSAESLZQSCBQB-LQDNNDEMSA-N 399.877 4.911 0 40 GJAB biogenic Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2cc(C)c3ccccc3n12 1062246 URDCTKPXSWWVED-UHFFFAOYSA-N 386.480 4.956 0 40 GJAB Cc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)Nc2ccc(F)cc2)C3)cc1 1370615 JTZUTCPNERHURW-FGZHOGPDSA-N 381.495 4.841 0 40 GJAB Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1-c1ccccc1 1440412 CAAWJHFKEBMXGP-UHFFFAOYSA-N 393.299 4.613 0 40 GJAB CC(C)N(CCOC(=O)c1cc(Cl)cc(-c2ccccc2)c1O)C(C)C 1683575 YMESKIFTLSLBAH-UHFFFAOYSA-N 375.896 4.988 0 40 GJAB Cc1cccc(C)c1Nc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)s1 2648619 MASUMCYBEVBVPM-GJZGRUSLSA-N 390.578 4.780 0 40 GJAB Cc1cc(OCc2c(F)c(F)c(F)c(F)c2F)c2c3c(c(=O)oc2c1)CCC3 3219991 JVCKYRSCZSVTPP-UHFFFAOYSA-N 396.311 4.865 0 40 GJAB Cc1c(Cl)cccc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 3238959 STQPAHHWWQWZCA-UHFFFAOYSA-N 389.854 4.781 0 40 GJAB CCc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 3291633 CVYVNTCDLRUUEL-TZIYXEQSSA-N 391.389 4.851 0 40 GJAB Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1Cl 3343780 MMVQYYVFEONQFT-UHFFFAOYSA-N 380.904 4.682 0 40 GJAB CC(C)N(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(C)C 3402281 MKYGVRJCLBZRQF-UHFFFAOYSA-N 388.581 4.517 0 40 GJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2o1 3554777 YRISJBNFAVXCRZ-UHFFFAOYSA-N 379.334 4.729 0 40 GJAB O=C(c1cccc(F)c1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 4120433 YBCWMTSPUKBKDJ-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB Cc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2-c2ccncc2)cc1C 4500485 QELOEPOYHCRKBX-UHFFFAOYSA-N 380.517 4.653 0 40 GJAB COc1cc(C(=O)OCC2c3ccccc3-c3ccccc32)cc(OC)c1OC 4659213 QDYXYWAIBBWOLG-UHFFFAOYSA-N 390.435 4.682 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 4700281 CZIBUGFEGSKNGQ-LJQANCHMSA-N 394.515 4.590 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)cc1 4734502 ITHVGAMVQLABID-DEOSSOPVSA-N 395.462 4.660 0 40 GJAB COCCN(Cc1cc2cccc(C)c2nc1Cl)C(=O)c1ccc(F)cc1 4880280 VKFZADVYNZLTQU-UHFFFAOYSA-N 386.854 4.625 0 40 GJAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1 4881315 MFOWNGCBSOYWEJ-LLVKDONJSA-N 382.382 4.977 0 40 GJAB CCCc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)o1 4998592 ABJIBYQXIOWAPP-UHFFFAOYSA-N 383.498 4.944 0 40 GJAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(C2SCCS2)cc1 5310946 JFNDCGKBUFHNHA-UHFFFAOYSA-N 390.917 4.823 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 5443926 UDZNSNIQNANZCK-QZGUCNERSA-N 383.532 4.769 0 40 GJAB C[C@@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 6059390 CXGNXBYKIOOZQX-MRXNPFEDSA-N 393.414 4.589 0 40 GJAB CC[C@@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 6119403 AVPZDYPISIYXHA-SNVBAGLBSA-N 377.897 4.659 0 40 GJAB CCc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1ccc(OC)cc1)=N2 6134961 AXQPMJVDFHTOIO-UHFFFAOYSA-N 398.510 4.758 0 40 GJAB O=C(CSC1=NC2(CCCC2)N=C1c1cccc(F)c1)Nc1ccccc1 6818766 LZTNOHINVVGCNH-UHFFFAOYSA-N 381.476 4.669 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1CCC1=CCCCC1 7235307 XGFOAOGZWGDNAM-UHFFFAOYSA-N 398.576 4.976 0 40 GJAB Cc1csc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)n1 7454206 UTCOKNAQWQFOIR-UHFFFAOYSA-N 394.496 4.996 0 40 GJAB CCn1c(S[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)nc2ccccc21 8132701 KPOXBHOOESFHSK-IRXDYDNUSA-N 381.545 4.674 0 40 GJAB COc1ccccc1Nc1nnc(SCc2ccc(-n3cccn3)cc2)s1 8487213 GEQAGNCCPVWNSM-UHFFFAOYSA-N 395.513 4.768 0 40 GJAB CCOc1cccc2cc(-c3nnc(NC(=O)c4cc5ccccc5o4)o3)oc12 9168986 NBNJMVWFZYWZKX-UHFFFAOYSA-N 389.367 4.880 0 40 GJAB CCCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1OCC 10040841 ITIUXFBWNPVJFB-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB CCn1ncc2c(C(=O)Nc3cc(F)cc(F)c3)cc(-c3cccs3)nc21 10491109 MJAZOEYZPZJWCN-UHFFFAOYSA-N 384.411 4.710 0 40 GJAB Cc1c(O)ccc2c(CN(Cc3ccco3)Cc3cccs3)cc(=O)oc12 12806115 DWVSWQRBSACSPC-UHFFFAOYSA-N 381.453 4.664 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(-c3cccs3)oc2C)c(Br)c1 12808462 JMOAVSCCNATXEM-UHFFFAOYSA-N 391.290 4.964 0 40 GJAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2)c1C 13563597 ULTKSXRLJKTBDV-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cc1nn(-c2ccccc2)c2nc(-c3ccc(N(C)C)cc3)c3c(c12)CCCC3=O 16266551 RJFAQGVBVBNBIN-UHFFFAOYSA-N 396.494 4.981 0 40 GJAB O=C(NC1CCCCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 18209595 HXQNIXSQOFTYER-CZUORRHYSA-N 396.413 4.589 0 40 GJAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)noc2n1 19568987 WCPRNWUBARTIHG-AWEZNQCLSA-N 393.409 4.612 0 40 GJAB Cc1c(C(=O)Nc2cccc(Cl)c2)nnc2c(-c3ccc(Cl)cc3)cnn12 19817086 HYTDPLQROCMEFZ-UHFFFAOYSA-N 398.253 4.659 0 40 GJAB CC(C)n1c(S[C@H](C)C(=O)NC2CCCC2)nnc1-c1cc2ccccc2o1 20171756 ARFRDABBJOYFRU-CQSZACIVSA-N 398.532 4.812 0 40 GJAB O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1 22130802 FFNJNQRJGGLANL-QHCPKHFHSA-N 384.435 4.610 0 40 GJAB Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 23156948 ALQIHKKHRCNQNN-MKBNYLNASA-N 390.940 4.526 0 40 GJAB CCCCNc1nnc(SCc2noc(-c3ccc(Cl)cc3)n2)s1 29276105 MBXHVDONCQYZTN-UHFFFAOYSA-N 381.914 4.746 0 40 GJAB Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2cccs2)n1 33325021 JRCNJAWTIPKGDW-UHFFFAOYSA-N 391.452 4.791 0 40 GJAB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccccc2Cl)cc1 33659668 CTTGCJWZKSGBLO-UHFFFAOYSA-N 399.874 4.913 0 40 GJAB Cc1cc(CO)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 34772858 GNJQVLRZVZTUPG-UHFFFAOYSA-N 380.513 4.779 0 40 GJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2Nc2ccc(F)cc2)cc1 36293373 NJCAITZMDXGIPO-UHFFFAOYSA-N 398.415 4.959 0 40 GJAB Cn1c(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(Cl)c1Cl 47431433 YNXVIPGFQFKTPP-GFCCVEGCSA-N 380.300 4.919 0 40 GJAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccc(Br)s1 57681159 NBQCABZLGXOBKN-NSHDSACASA-N 377.307 4.695 0 40 GJAB C[C@H](Oc1cccc(Cl)c1)C(=O)N(CCc1ccccc1)Cc1ccncc1 58167595 FUBKUCOQTYPRQP-SFHVURJKSA-N 394.902 4.774 0 40 GJAB CCCn1cc(-c2nc(-c3ccc(SC)cc3)no2)c(=O)c2ccccc21 64963675 KGBUVZHSOKDRRL-UHFFFAOYSA-N 377.469 4.850 0 40 GJAB CC(=O)N1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 72215796 DBLPFNSCVWPCES-IBGZPJMESA-N 381.476 4.838 0 40 GJAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2cncc(Oc3ccc(Cl)cc3)n2)o1 72384121 LIHIPVJBKKQAHQ-QGZVFWFLSA-N 398.850 4.504 0 40 GJAB CSc1cnn(-c2ccccc2)c1NC(=O)c1csc(Br)c1 79096415 SDOTVLNZKUXPHW-UHFFFAOYSA-N 394.319 4.671 0 40 GJAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1 84686990 KASVQNJSKACMET-BLLLJJGKSA-N 386.904 4.687 0 40 GJAB CC(=O)c1sc(NC(=O)c2c(Cl)nc3ccccn23)nc1-c1ccccc1 95950355 SHZLJSQDIRMXCJ-UHFFFAOYSA-N 396.859 4.566 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 100898243 CYEABNJSCNPBIF-WCAYHLDQSA-N 391.854 4.690 0 40 GJAB O=C(NCc1ccccc1OC(F)(F)F)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102423985 ZSHJSQYNIJJENU-LGBHXNNWSA-N 387.829 4.779 0 40 GJAB O=S(=O)(c1ccccc1)N1CC[C@]2(Cl)CCCC[C@@H]2[C@@H]1c1ccccc1 102871281 OMYLBMBYGSSHCP-QHAWAJNXSA-N 389.948 4.990 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1cccc(OC(C)C)c1 219365648 CAQALNSUUXMTCC-QFIPXVFZSA-N 383.532 4.997 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219464437 MQDACSWEVQYDEF-GOSISDBHSA-N 386.495 4.718 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SC(C)C)s1 223498946 SMRHVORISPPSBD-INIZCTEOSA-N 391.562 4.714 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)C)ccc1Cl 223828565 OHCYIUFOACIVJF-INIZCTEOSA-N 375.896 4.734 0 40 GJAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(N2CCCCC2)nc1 223973427 ZATGHOKUERRXKA-UHFFFAOYSA-N 394.588 4.870 0 40 GJAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(N3CCCCC3)cc2)cc1 224125247 XIERFFIUDVZUFJ-UHFFFAOYSA-N 380.532 4.783 0 40 GJAB CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 225702495 YTNGARIODFUAGD-UHFFFAOYSA-N 390.530 4.568 0 40 GJAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1cc(Cl)cc(Cl)c1 225723078 AWPZARSQMXNGKI-UHFFFAOYSA-N 381.646 4.600 0 40 GJAB COc1ccc(-c2nnc(NC(=O)C3(c4ccccc4)CCCC3)s2)cc1 225820208 FOMKXCXPALKGHD-UHFFFAOYSA-N 379.485 4.664 0 40 GJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225847892 IZIHMIADTOOPBH-NRFANRHFSA-N 379.497 4.576 0 40 GJAB CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccccc3-c3ccccc3)C2)ccn1 257344612 ZXZKORMMPSFTAE-OAQYLSRUSA-N 385.511 4.834 0 40 GJAB Cc1cc(CCC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccccn2)C3)ccc1Cl 390832436 ZMCAFLDXXJFBQR-ROUUACIJSA-N 384.907 4.577 0 40 GJAB Cc1cc(-c2ccccc2)nc(Sc2oc(C=O)cc2Br)n1 408550147 AEUXCPAUWOLBOG-UHFFFAOYSA-N 375.247 4.771 0 40 GJAB COc1ccc(Cc2nnc(SC(=O)c3ccc4ccccc4c3)o2)cc1 409391007 GSVTZINQNJFKFH-UHFFFAOYSA-N 376.437 4.755 0 40 GJAB COC(=O)C[C@@H](NC(=O)c1ccc(OC)cc1Cl)c1cccc2ccccc12 588788549 VJZMCEOIMBAMAK-HXUWFJFHSA-N 397.858 4.536 0 40 GJAB CCOc1ccccc1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615160184 XRLDGCHQVXUBBY-SFTDATJTSA-N 396.506 4.887 0 40 GJAB Cc1cccc(-c2cccc(CNC(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)c2)c1 1667753937 YYYMEUZUCPSTNH-UHFFFAOYSA-N 399.494 4.612 0 40 GJAB CCCCn1c(C)c(C(=O)OCC)c2cc(OC(C)=O)c(Br)cc21 2211117 GPRDEADSMOAZEB-UHFFFAOYSA-N 396.281 4.614 0 40 GJAB O=C(CSc1nnc(Nc2ccccc2F)s1)NC1CCCCCCC1 2632201 MEWSOOMTPHTYTE-UHFFFAOYSA-N 394.541 4.742 0 40 GJAB CCOc1cc([C@@H]2N=C(O)c3ccccc3N2)ccc1OC(=O)c1ccccc1 4108245 DDDDQDBNXNEYOM-NRFANRHFSA-N 388.423 4.733 0 40 GJAB CN(C)CCCN(C(=O)c1ccccc1F)c1nc2c(Cl)cccc2s1 4359789 AEEXIHHOPWJTTL-UHFFFAOYSA-N 391.899 4.687 0 40 GJAB C[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1ccc(F)cc1Cl 5174739 TUCKLSVIRQSKFR-LLVKDONJSA-N 393.846 4.923 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 5204108 XFUVOMNHLQPPJU-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(C[C@@H](Sc1ccc(Cl)cc1)C(=O)O)c1ccc(Br)cc1 5252699 WKDXKJXEVIRIET-OAHLLOKOSA-N 399.693 4.921 0 40 GJAB COc1ccc(Cl)c2sc(NC(=O)c3ccc4ncsc4c3)nc12 5256618 JCBZRLOGZMYFPX-UHFFFAOYSA-N 375.862 4.820 0 40 GJAB C[C@@H](NC(=O)COC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1Cl 5397028 CTEWYVJYDKDZFZ-OAHLLOKOSA-N 398.890 4.565 0 40 GJAB COc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1Cl 5697963 IAKHGZCCOWGKDO-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB COc1ccccc1N/C=C1/C(=O)N(c2ccccc2C)C(=O)c2ccccc21 6413357 DTFFFMSMVXOCMH-XDJHFCHBSA-N 384.435 4.644 0 40 GJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)c1c[nH]c2ccccc12 6590641 XQBKVVWDFJUJNB-UHFFFAOYSA-N 390.512 4.735 0 40 GJAB CCN1C(=O)S[C@@H](Cc2ccccc2OCc2ccccc2Cl)C1=O 6952480 LNVFEWDPKKMOFA-KRWDZBQOSA-N 375.877 4.545 0 40 GJAB Cc1ccc2c(COc3ccccc3C(=O)Nc3ccccc3)cc(=O)oc2c1 7987966 JVBRHXBYIKQZER-UHFFFAOYSA-N 385.419 4.933 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 8734258 SCOQAYVREQHZGT-UHFFFAOYSA-N 395.846 4.683 0 40 GJAB O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccsc1)N1CCCCCC1 8862998 ZEOPNNHQSDPKMI-LJQANCHMSA-N 392.952 4.514 0 40 GJAB CCN(C(=O)[C@@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1)c1ccccc1 9946711 HZMTYGJWDIVHDL-QGZVFWFLSA-N 379.529 4.843 0 40 GJAB C[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)NCc1ccco1 12521487 XDZHUBXKUJQPPU-OAHLLOKOSA-N 391.496 4.597 0 40 GJAB Cc1cn2c(/C=C/C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)c(C)nc2s1 12525355 LGWWWJFBXGEPPQ-HBWSCVEGSA-N 396.541 4.855 0 40 GJAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(CN2CCCCC2)cc1 12622532 HHNXUDPWOOETQU-HXUWFJFHSA-N 384.520 4.779 0 40 GJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@H]32)C1 12657127 DPBGWNOQXKBDCB-BZDFKLGJSA-N 376.537 4.704 0 40 GJAB biogenic COc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)ccc1OC(F)F 12943448 IQEVFPDCHCCGOG-GFCCVEGCSA-N 379.428 4.828 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc(Br)c1 13648430 NKEZPWKLBKGRCC-XHVUQVIVSA-N 398.300 4.631 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)Oc1ccc(NC(=O)c2ccccc2)cc1 15565547 UGBFQGSYGJQALN-UHFFFAOYSA-N 384.435 4.958 0 40 GJAB Cc1c(CN2CCC[C@H](c3nc4ccccc4n3C)C2)c(-c2ccccc2)nn1C 19715874 BPJQRRXOUOMDKO-FQEVSTJZSA-N 399.542 4.662 0 40 GJAB O=C(NC1CCCC1)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20509655 FFMPTPZQYFVZED-SFHVURJKSA-N 396.878 4.721 0 40 GJAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(-c2ccccc2Cl)o1 22061775 PMGYTPZXXNNPMA-UHFFFAOYSA-N 394.858 4.879 0 40 GJAB CCCCn1nc(C)c(C(=O)NCCSCc2ccc(C)cc2)c1Cl 23951493 HUNNWROHPJQHAW-UHFFFAOYSA-N 379.957 4.617 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](Sc1cc(C)nc(C)n1)c1ccccc1 24569092 CXRFFZNHFKPFJG-OAQYLSRUSA-N 393.512 4.883 0 40 GJAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1 25531960 VQBAIGNOMDCERN-QGZVFWFLSA-N 385.335 4.587 0 40 GJAB CCOc1ccccc1NC(=O)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 27749844 YUMVJTCGZJJKAY-UHFFFAOYSA-N 378.211 4.751 0 40 GJAB CCOc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1OCC 28220327 SANVNCNOYQVWAY-UHFFFAOYSA-N 399.878 4.635 0 40 GJAB Cc1nc2cc(C(=O)N(Cc3cccnc3)C3CC3)ccc2n1-c1ccccc1 28515257 NQRVHHHTHUSSCV-UHFFFAOYSA-N 382.467 4.534 0 40 GJAB COc1cccc(NC(=O)CSCc2csc(-c3ccc(F)cc3)n2)c1 32778861 GXQMTBOGKOSZND-UHFFFAOYSA-N 388.489 4.830 0 40 GJAB C[C@@H](CNC(=O)CCCOc1ccccc1)c1nc2ccccc2n1C(F)F 32863749 AHXJAVBBDQZDJX-HNNXBMFYSA-N 387.430 4.510 0 40 GJAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1ccc(Cl)cc1 35476406 UJAVMUMSZSHCLI-HXUWFJFHSA-N 375.921 4.745 0 40 GJAB CC(=O)c1ccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1 36390666 OSQCTBHYMRMOPU-UHFFFAOYSA-N 384.888 4.771 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)c3c(C)nn(C)c3n2)cc1 36615876 NCJAINSPGPKPBV-UHFFFAOYSA-N 376.504 4.657 0 40 GJAB Cc1cc(C(=O)N[C@H]2CCCc3ccccc32)c2c(C)nn(-c3ccccc3)c2n1 36616495 RAECRLGBWCIDIS-QFIPXVFZSA-N 396.494 4.845 0 40 GJAB CC1(C)CC(N(Cc2ccccn2)Cc2cccc3ncccc23)CC(C)(C)N1 36740498 QMYGDMJSRHAVJL-UHFFFAOYSA-N 388.559 4.941 0 40 GJAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2Br)cc1 40001126 IGAZVIPKPVKHCK-ZDUSSCGKSA-N 377.282 4.595 0 40 GJAB CC(C)(C)c1csc(NC(=O)CSCc2coc(-c3ccccc3)n2)n1 40140646 JMNKBBROTSPBJZ-UHFFFAOYSA-N 387.530 4.968 0 40 GJAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2Cl)c1 40288027 IOOJOKXXQVRMAZ-CQSZACIVSA-N 383.835 4.667 0 40 GJAB Cc1ncc(NC(=O)c2ccco2)n1-c1nc(-c2ccc(Cl)cc2)cs1 41124293 POTIIDFTBAIGSX-UHFFFAOYSA-N 384.848 4.803 0 40 GJAB CC1(C)Oc2ccc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)cc2O1 47254746 KOECJNDFBXBODG-HNNXBMFYSA-N 385.485 4.717 0 40 GJAB COc1cccc(CC(=O)N[C@H]2CCCc3nc(-c4ccccc4)sc32)c1 58098204 RAODACWLRYRVKY-SFHVURJKSA-N 378.497 4.555 0 40 GJAB Cn1c(SCc2c[nH]c3ccccc23)nc2sc3c(c2c1=O)CCCC3 59472545 HOHQZEVPPCYRPL-UHFFFAOYSA-N 381.526 4.647 0 40 GJAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCO2 67296933 LWIBALWSFOEGDW-IZHYLOQSSA-N 398.418 4.955 0 40 GJAB O=C(Nc1nnc(C(F)F)s1)C1(c2cccc(C(F)(F)F)c2)CCCC1 67551595 PPDSWUJZSCSAGN-UHFFFAOYSA-N 391.365 4.945 0 40 GJAB COc1ccc(NC(=O)CCCCOc2cc(C)ccc2C)c(OC)c1OC 84146335 AAYXWSIVFFVQDP-UHFFFAOYSA-N 387.476 4.517 0 40 GJAB COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H](c1ccco1)CC(=O)O2 96116257 SXCMGMPJSXEJFO-CQSZACIVSA-N 388.375 4.503 0 40 GJAB biogenic COc1ccc([C@@H]2CC3=Nc4nonc4N[C@H](c4cccs4)C3=C(O)C2)cc1 102751899 JHSVPQOMIMATBU-KZULUSFZSA-N 394.456 4.769 0 40 GJAB O=S(=O)(c1cccc2ccccc12)N1CCS[C@H](c2ccccc2)CC1 208045012 MKDUZWFFWPSTFV-FQEVSTJZSA-N 383.538 4.709 0 40 GJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1ccccc1Cl 220021527 SEXWTIKMGDZGKR-UHFFFAOYSA-N 390.270 4.635 0 40 GJAB CCc1cccc(CC)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 224308615 PDORZMGUHVUAHT-PGMHBOJBSA-N 388.467 4.814 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(CN2CCCCC2)c1 224683578 AZDKIRIKMJWNHU-QHCPKHFHSA-N 394.559 4.763 0 40 GJAB COc1ccc(CCC(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1 225313249 VXHAOMQAHJBDHN-OAQYLSRUSA-N 379.500 4.971 0 40 GJAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 225836973 IJFSFEVHAMLWEP-INIZCTEOSA-N 393.487 4.679 0 40 GJAB Cc1nc(Nc2ccc(C(C)(C)C)cc2)c2nnn(Cc3ccc(F)cc3)c2n1 257310279 UELVFIKEGAJQMG-UHFFFAOYSA-N 390.466 4.758 0 40 GJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260812457 BYKHCSXHBFITSH-CVDCTZTESA-N 390.568 4.577 0 40 GJAB Cc1cc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)sc1-c1ccccc1 526052380 GMSWDEGZTCMPJX-UHFFFAOYSA-N 377.494 4.916 0 40 GJAB CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C 627065998 NAAOAYYKUXWPCX-MWTRTKDXSA-N 391.515 4.944 0 40 GJAB COc1cnc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c(F)c1 1521097474 NKKSTDWZDXSDAP-UHFFFAOYSA-N 379.416 4.758 0 40 GJAB CCc1cccnc1-c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1 1615612185 BZUSAJCPJLUWAZ-UHFFFAOYSA-N 388.402 4.752 0 40 GJAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](O)c1ccc(-c2ccsc2)s1 1775966015 OYVZDAUNDFBDEU-OAHLLOKOSA-N 395.908 4.661 0 40 GJAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 683102 NXQICUDRWJXQMH-OAHLLOKOSA-N 379.843 4.977 0 40 GJAB CCOc1ccc(-c2csc3ncn(-c4ccc(OCC)cc4)c(=O)c23)cc1 709072 LOBOCWTUCIQOSD-UHFFFAOYSA-N 392.480 4.912 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2nc3ccc(Br)cc3s2)cc1 997071 KBOHZIKUVCGMJT-RUDMXATFSA-N 389.274 4.719 0 40 GJAB COc1ccc(OC)c(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)c1 1072780 GMLCHZPWVPBXBE-GXDHUFHOSA-N 399.855 4.916 0 40 GJAB O=C(O)c1ccccc1C(=O)/N=c1\[nH]c2c(s1)CCCCCCCCCC2 1889371 VTEMDEMYUQOWDU-UHFFFAOYSA-N 386.517 4.735 0 40 GJAB N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SC/C=C/c2ccccc2)o1 2447896 BZFKRVLOSUAXLL-YOCVDRLZSA-N 376.485 4.599 0 40 GJAB Cc1ccc(-c2csc(NC(=O)COC(=O)/C=C/c3cccs3)n2)cc1C 2652037 FKZXSFGYURITQE-BQYQJAHWSA-N 398.509 4.684 0 40 GJAB CCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1OCC 3235203 ZJEMOAZRGCJVMY-UHFFFAOYSA-N 397.254 4.831 0 40 GJAB CCCCO[C@@H]1C[C@@H](c2ccc(OCc3ccc(F)cc3)c(OC)c2)N(C)O1 4002184 XVWVYGFZPKXLNC-UGKGYDQZSA-N 389.467 4.864 0 40 GJAB COC(=O)c1ccc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)cc1 4176284 LQHDQURXXDFZRG-UHFFFAOYSA-N 388.448 4.587 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)cc1 4305518 OTFCQWLEOMBXFY-LJQANCHMSA-N 382.916 4.935 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2cccc2[C@@H]1c1cccnc1 4329800 HMIWULUVQLDELU-SFHVURJKSA-N 387.270 4.827 0 40 GJAB CCOC(=O)c1c(C)c(CNC2CCCCC2)n(CNC2CCCCC2)c1C 4706077 YAQOGWCXGNSOMI-UHFFFAOYSA-N 389.584 4.584 0 40 GJAB COc1cc(C)c(NC(=O)c2cc(Br)ccc2Cl)cc1OC 5616871 DJZAIROPCLRIGY-UHFFFAOYSA-N 384.657 4.680 0 40 GJAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)C(C)C)n(Cc2ccco2)c1C 6665542 WYDYCFBQYFVVFA-UHFFFAOYSA-N 376.460 4.884 0 40 GJAB CCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OCC)cc1 6767600 TXNUWQUAXZHCOW-UHFFFAOYSA-N 381.432 4.567 0 40 GJAB CCOC(=O)C1=C(C)NC(SC(C)C)=N[C@@H]1c1cccc(Cl)c1Cl 6843473 WVPQMYZXWTZCTI-OAHLLOKOSA-N 387.332 4.972 0 40 GJAB COc1ccc(OC)c(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)c1 6946373 AYAMHXXPBCWDNW-UHFFFAOYSA-N 382.485 4.625 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(CN2CCCC2)cc1 7891087 ZDHJYIXRSDTNRS-UHFFFAOYSA-N 379.287 4.607 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(CSc3nc4ccccc4[nH]3)cs2)cc1 8216750 LGCGBZGGLITIIO-UHFFFAOYSA-N 394.525 4.801 0 40 GJAB O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1ccc(C3CCCCC3)c(=O)n1C2 8297500 FJLHAYONLGWQDR-PKOBYXMFSA-N 391.515 4.547 0 40 GJAB biogenic,in-vitro Cc1ccccc1-n1nc(C(=O)NC2CCCCC2)nc1-c1ccc(Cl)cc1 8476551 ZPYCEXAUWIPILO-UHFFFAOYSA-N 394.906 4.959 0 40 GJAB Cc1cc(C)c2nc(SCC(=O)c3ccc4[nH]c(=O)oc4c3)cc(C)c2c1 9365901 PLECIXIANATJNJ-UHFFFAOYSA-N 378.453 4.570 0 40 GJAB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 9694744 JMKHOZJGMUWCAL-XQNSMLJCSA-N 398.462 4.847 0 40 GJAB COc1cc(CNC(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1OC(F)F 10466247 KHPMAZFHOPWWLT-LBPRGKRZSA-N 390.386 4.603 0 40 GJAB CC(C)c1ccc(O[C@@H](C)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 10469513 CPOOIMNUDWAHLB-JTSKRJEESA-N 383.488 4.774 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)s1)C1CC1 11265712 UQKXHLIHHCRJGL-UHFFFAOYSA-N 393.512 4.598 0 40 GJAB Cc1csc2nc(COc3ccc(-c4ccccc4)cc3Cl)cc(=O)n12 11296600 MCDCLZPOYMRTRH-UHFFFAOYSA-N 382.872 4.964 0 40 GJAB CC1CCN([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2)CC1 11905305 SSFVIQJGNHYIKZ-QFIPXVFZSA-N 389.499 4.545 0 40 GJAB Cc1ccccc1-c1noc(COc2cccc(C(=O)NCc3ccccc3)c2)n1 12567982 PJRSTWXSFIVINB-UHFFFAOYSA-N 399.450 4.554 0 40 GJAB O=C(NCc1nc2ccccc2[nH]1)c1cc(-c2cccs2)nc2ccccc12 12603158 KYARTXKJZJXLAX-UHFFFAOYSA-N 384.464 4.770 0 40 GJAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1ccnn1C1CCCC1 12780957 XATRNSJIHNTYPS-NRFANRHFSA-N 398.507 4.517 0 40 GJAB CC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 12813365 YRWNWIOULXJELZ-UHFFFAOYSA-N 386.442 4.579 0 40 GJAB C[C@H](NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1ccncc1 12823583 MAJQYFMNYCRVEL-AWEZNQCLSA-N 375.453 4.956 0 40 GJAB CC(C)c1ccc(-c2csc(NC(=O)CCCNC(=O)c3ccco3)n2)cc1 12910948 KEEBICOKOGTUKX-UHFFFAOYSA-N 397.500 4.675 0 40 GJAB COc1ccc(CNC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1OC 12943207 VJBSDHPKGVSSES-LBPRGKRZSA-N 397.302 4.913 0 40 GJAB O=C(Oc1cccc2ccccc12)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 13896847 CDDZVCVTJUWASF-NHCUHLMSSA-N 399.446 4.739 0 40 GJAB Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](C(=O)c1cccs1)CC(=O)N2 13996992 RCFLAHVMDLMFCK-LBPRGKRZSA-N 385.876 4.513 0 40 GJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1cccc(Cl)c1 14262158 FKQNHCLMZLDOKN-UHFFFAOYSA-N 375.255 4.897 0 40 GJAB COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3cccc(C)c3C)cs2)cc1 15832727 PMLOUMJVZGUCFL-MRXNPFEDSA-N 396.512 4.519 0 40 GJAB COc1ccc(NC(=O)COc2ccc(C(C)=O)cc2)cc1Cc1ccccc1 16274163 KMQJLTJTHIEYHK-UHFFFAOYSA-N 389.451 4.506 0 40 GJAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)C4CCCC4)CC3)c2)cc1 19691090 ABZDMBUUSUINJO-UHFFFAOYSA-N 378.516 4.962 0 40 GJAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 20143669 DQOUAJHAGYJCOI-UHFFFAOYSA-N 399.402 4.719 0 40 GJAB CCCCOc1ccccc1C(=O)NCc1csc(-c2ccc(OC)cc2)n1 21785904 UVHCLBXWAVBDCK-UHFFFAOYSA-N 396.512 4.928 0 40 GJAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1cccc(F)c1 22072611 MDRSPMZLBBXXRQ-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB Cc1cc2oc(C(=O)NCc3ccc4ccccc4c3)cc(=O)c2cc1Cl 27912358 UMUNNZCTZYGYPB-UHFFFAOYSA-N 377.827 4.838 0 40 GJAB O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)C1CC1 32915569 YKPJKXCRNGRKIC-UHFFFAOYSA-N 375.197 4.745 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(Cc1ccccc1F)C1CC1 40131326 JIDUMLLIZDOUPL-UHFFFAOYSA-N 395.453 4.501 0 40 GJAB CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)c1cccs1 67889972 YGURNLIXEPEVJE-QRWLVFNGSA-N 396.512 4.702 0 40 GJAB biogenic,in-vitro O=C(Nc1ccc(Oc2ccc3c(c2)N=C(O)CC3)nc1)c1c(F)cccc1F 72404824 IWDCDKUYZPRNFR-UHFFFAOYSA-N 395.365 4.939 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 95478425 XYHKPMDZZHOZHP-JLTOFOAXSA-N 390.936 4.539 0 40 GJAB CN(Cc1cccnc1)C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl 95955653 OHNHDLRSOUTYTE-UHFFFAOYSA-N 388.254 4.848 0 40 GJAB CCCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 96171258 RLQOWWXNTZYENU-UHFFFAOYSA-N 386.286 4.732 0 40 GJAB CCOC(=O)Nc1ccc(Br)cc1NC(=O)c1cccc(C)c1 97230306 HWIQVERVUVLKRV-UHFFFAOYSA-N 377.238 4.578 0 40 GJAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C)cc4)cs3)C(=O)[C@@H]21 102250576 WQWMXOPYXJXDLU-RGCFKVTRSA-N 378.497 4.600 0 40 GJAB O=C(Nc1ccc(N2CCCC2=O)cc1)/C(=C/c1ccccc1)c1ccccc1 215819356 NTOKETZENDYOOO-PTGBLXJZSA-N 382.463 4.993 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1OC 216476452 ZAJSLOXSHBPGNX-NRFANRHFSA-N 399.531 4.617 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 222845959 ZFQCNXVCKIHBTN-HNNXBMFYSA-N 388.895 4.584 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 222988044 DBIIEHBHQBMSPV-GOSISDBHSA-N 375.852 4.540 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223698906 IOBPNLNITMVQLI-OAHLLOKOSA-N 375.896 4.600 0 40 GJAB O=C(NCCc1ccc(F)cc1)c1ccc(CN2CCCc3ccccc32)cc1 224329183 DSNVBGMGXFVLIY-UHFFFAOYSA-N 388.486 4.751 0 40 GJAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C 224396373 UWHROEINNMNWGZ-RTWAWAEBSA-N 394.519 4.836 0 40 GJAB CCOC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1 226329227 UTMASQWFZADULV-UHFFFAOYSA-N 399.668 4.867 0 40 GJAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2cccc3cccnc23)CC1 238841872 HWDAGZHZVLEZCN-UHFFFAOYSA-N 397.478 4.709 0 40 GJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 260814663 MERZXCVAFBYIOE-YDHSSHFGSA-N 390.568 4.577 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 408558992 UXFMJPIBPMGPNS-UHFFFAOYSA-N 383.469 4.987 0 40 GJAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccccc3)sc2n1 408618909 IEHOHQPZWWEBKV-UHFFFAOYSA-N 384.530 4.656 0 40 GJAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccccc2)cc1 408699941 XNYDBHWSVHKYFR-UHFFFAOYSA-N 398.466 4.894 0 40 GJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1 409348487 SXMPDWVMYGQUIN-PDGQHHTCSA-N 394.496 4.541 0 40 GJAB CCc1sc(=O)n(Cc2cnc3c(cnn3C(C)C)c2)c1-c1ccccc1 525627796 QMBDAWYHBBYIRV-UHFFFAOYSA-N 378.501 4.513 0 40 GJAB C[C@H](Cc1csc2ccccc12)NS(=O)(=O)Cc1ccccc1Cl 575618705 BFRXYUSIEGZUOD-CYBMUJFWSA-N 379.934 4.605 0 40 GJAB O=C(NCc1cccc2ccccc12)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 585385465 CIYUSILUBHCPJA-PMACEKPBSA-N 387.483 4.519 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 997966 OQCDLXPHYWKYBC-UHFFFAOYSA-N 386.407 4.924 0 40 GJAB CC(=O)c1cccc(NC(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)c1 1738278 FGKYQGTTWDHUID-UHFFFAOYSA-N 389.407 4.857 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)NC1(C(F)(F)F)Oc2ccccc2O1 2725243 CEEBZZJLKACOHS-UHFFFAOYSA-N 392.255 4.514 0 40 GJAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(N2CCOCC2)cc1 3199859 XZGVYGHIGSBLEU-ZRDIBKRKSA-N 392.430 4.574 0 40 GJAB Cc1ccc(NCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1Cl 3208640 WQOZFSPRTDOAJL-PXNMLYILSA-N 376.840 4.893 0 40 GJAB O=C(CCNC(=O)c1ccccc1Cl)OCc1ccc(Cl)c(Cl)c1 3279422 DUIMUOARYVMRJA-UHFFFAOYSA-N 386.662 4.510 0 40 GJAB Clc1ccc(-c2nnc(CSc3nnc4sc5ccccc5n34)o2)cc1 3311372 VSZKGZLXZNYAIV-UHFFFAOYSA-N 399.888 4.940 0 40 GJAB CCCOc1c(Br)cc(/C=C2/SC(=S)N=C2O)cc1OC 3361652 BFRADXOVLZVHPQ-YRNVUSSQSA-N 388.308 4.576 0 40 GJAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1Cc1ccccc1 3383275 VWQXBXHINYLYNT-UHFFFAOYSA-N 386.451 4.604 0 40 GJAB COc1ccccc1[C@@]1(CCN(Cc2ccco2)C(C)=O)CCO[C@@H](C(C)C)C1 4043682 KPOYUKJSTNRRRV-RPWUZVMVSA-N 399.531 4.800 0 40 GJAB biogenic Cc1ccc(CSc2nc3c(c(=O)n2Cc2ccccc2)SCC3)cc1 4358768 JCSGNWKHOKHRBF-UHFFFAOYSA-N 380.538 4.541 0 40 GJAB O=C(COC(=O)Cc1ccccc1F)Nc1ccccc1Sc1ccccc1 4827151 OCUWEFAXGSUSIV-UHFFFAOYSA-N 395.455 4.701 0 40 GJAB C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(N2CCCCC2)cc1 5628810 RCLIAAOEKXMWKV-OAHLLOKOSA-N 381.501 4.937 0 40 GJAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)N1CCCCC1 5901629 UWEMBJFIPHADGW-UHFFFAOYSA-N 377.513 4.848 0 40 GJAB COc1ccccc1OCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 6219192 LYNAHHJFLUPGOK-UHFFFAOYSA-N 390.464 4.989 0 40 GJAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 6462941 PZOFUYODGCGTEA-VIFPVBQESA-N 399.419 4.936 0 40 GJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 7262763 PRZVZYHACGBIGR-KRWDZBQOSA-N 377.440 4.680 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 7462187 UQBSDAZXUPUPQR-SDOQWUHBSA-N 385.596 4.810 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7886336 KTYJMPPTDRFVHS-OAQYLSRUSA-N 392.890 4.622 0 40 GJAB CC(C)[C@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccc2c(c1)OCCCO2 7973653 XVCOTPMLEVAYHJ-QHCPKHFHSA-N 390.483 4.766 0 40 GJAB O=C(CCC(=O)c1ccc(F)cc1)N[C@H](Cc1ccccc1)c1ccccc1 7990027 TWKMDTFOHCZFQK-JOCHJYFZSA-N 375.443 4.889 0 40 GJAB Clc1ccc(COc2cccc3ccc(N4CCOCC4)nc23)c(Cl)c1 8769724 RGXSQFNMQRYBGR-UHFFFAOYSA-N 389.282 4.957 0 40 GJAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2)cc1 9357377 GCBHXTGLAVXRHV-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@H](C)c3cccnc3)cc12 10056930 TUIYEUUXPGPFID-GFCCVEGCSA-N 396.903 4.935 0 40 GJAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCc1cccc(Cl)c1 10741092 OIFHHHNYWRUKRO-UHFFFAOYSA-N 399.878 4.714 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(C)(C)C 11613845 GQTRHKVNTQCGDP-UHFFFAOYSA-N 398.322 4.556 0 40 GJAB Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccn4c3NC(C)(C)C)C2)cs1 12128096 BXSNWDANNUFPFB-MRXNPFEDSA-N 396.560 4.934 0 40 GJAB CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)cc1Cl)O[C@@H](C)C2 12758986 OFZXOWTUGOXAAS-NSHDSACASA-N 380.271 4.646 0 40 GJAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)[C@@H]1CCCN1C(=O)c1cccs1 12799383 DVTBDJQBHGOLLR-FQEVSTJZSA-N 388.492 4.563 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(F)c(Cl)c1 12983487 JHCSRGIXRNGUFH-LLVKDONJSA-N 378.856 4.687 0 40 GJAB CCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 14607778 YHTFFHZQSDBBIQ-JKGDOXCYSA-N 394.478 4.812 0 40 GJAB O=C(C[C@@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 16477338 JGEUMCIBCXYGKV-DEOSSOPVSA-N 388.486 4.962 0 40 GJAB COc1cccc(Nc2nc(NCC(C)C)nc3c2cnn3-c2ccccc2)c1 17113282 VYCZPORTTSEUNI-UHFFFAOYSA-N 388.475 4.636 0 40 GJAB C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 18109329 IHUYTTHZSNPHDY-SFHVURJKSA-N 387.479 4.857 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1OC 20036724 LGJMTFUFDIPIHD-QGZVFWFLSA-N 391.467 4.774 0 40 GJAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1csc(-c2ccsc2)n1 21839291 SWXRXDPVDVFEPJ-UHFFFAOYSA-N 387.526 4.814 0 40 GJAB CN(Cc1cnn(C)c1)C(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 24474094 RYDIPVPRESXQSK-OAQYLSRUSA-N 399.947 4.555 0 40 GJAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(C(C)C)cc2)c2ccccc12 26461350 MZVFWYSIOKSPMF-UHFFFAOYSA-N 383.469 4.689 0 40 GJAB Cc1ccccc1Cn1nc(C)c(NC(=O)c2ccccc2Br)c1C 27921951 PJRRMPDTTXSLOS-UHFFFAOYSA-N 398.304 4.871 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ncc(Cl)cc3Cl)cc2)n1 27970398 OMDXZYQPWUCQPX-UHFFFAOYSA-N 375.259 4.502 0 40 GJAB Cc1ccc([C@H](CNC(=O)COc2cc(C)ccc2C(C)C)N2CCCC2)cc1 28288180 RITPQJNGCRIUOP-QHCPKHFHSA-N 394.559 4.759 0 40 GJAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccc(C(C)C)cc2)no1 30958766 UFBZXQVUXKKFNC-JOCHJYFZSA-N 377.488 4.918 0 40 GJAB COc1cc(CN(C)C(=O)c2cc(C)ccc2O)ccc1OCc1ccccc1 32722420 YZIWVVIGVPQNNU-UHFFFAOYSA-N 391.467 4.560 0 40 GJAB CCCOc1ccccc1OCc1nnc(-c2ccc(Br)cc2)o1 32958189 ZBUMCVONMPQHLN-UHFFFAOYSA-N 389.249 4.867 0 40 GJAB C[C@@H]1c2ccsc2CCN1C[C@H](O)COc1ccc(-c2ccccc2)cc1 34801142 VKSABQUVIAQQOB-XLIONFOSSA-N 379.525 4.774 0 40 GJAB CCc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccnn3CC)n2)cc1 36613862 BNGIZCBXHKRHGZ-UHFFFAOYSA-N 375.398 4.553 0 40 GJAB Cc1c(C(=O)N(C)CC(=O)Nc2ccccc2Cl)oc2c(Cl)cccc12 36726293 MVJIALOXBVXXER-UHFFFAOYSA-N 391.254 4.759 0 40 GJAB Cc1ccc(NC(=S)NCc2ccccc2CN(C)C(C)C)cc1Cl 36847589 KZQADGWRMFQYLE-UHFFFAOYSA-N 375.969 4.975 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2C)c(Cl)c1 44899808 WMFPNICZSJOJNJ-KRWDZBQOSA-N 375.852 4.621 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1ccccc1Cl 44948124 NSIAEXPPBLWBEU-GOSISDBHSA-N 377.937 4.855 0 40 GJAB CCc1ccc(C(=O)OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 51315264 GEMXQUOEZQCGJI-UHFFFAOYSA-N 392.333 4.555 0 40 GJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccccc3C)oc12 67298898 HXFRXIILOFMMBU-BZZOAKBMSA-N 388.423 4.505 0 40 GJAB Cc1ccccc1-c1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 71889734 XJCPRANIZKSYJW-UHFFFAOYSA-N 399.288 4.904 0 40 GJAB CCCCc1nc(C)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 72402171 HAZBNIIOYNCYGY-UHFFFAOYSA-N 392.952 4.571 0 40 GJAB CC(C)(C)OC(=O)N1CCC(CSc2cccc(Br)n2)CC1 83323377 FXRNQOXIPWORAF-UHFFFAOYSA-N 387.343 4.583 0 40 GJAB COc1ccccc1-c1noc(CN2CC=C(c3c[nH]c4ccccc34)CC2)n1 89483981 NEKOJHQIPJCOKP-UHFFFAOYSA-N 386.455 4.516 0 40 GJAB CCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC)Cc1c(C)noc1C 89969248 ZLFIQVMFQLGAQT-QGZVFWFLSA-N 385.291 4.725 0 40 GJAB CCOc1cc(CNc2nnc(-c3ccc(C)s3)o2)ccc1OC(F)F 95943647 YDUQWBBXJUDNAB-UHFFFAOYSA-N 381.404 4.719 0 40 GJAB Cc1cc(-c2csc(NC(=O)c3cccnc3Oc3cccnc3)n2)c(C)o1 95957838 OLSLJWMZRWKKRZ-UHFFFAOYSA-N 392.440 4.855 0 40 GJAB C[C@@H](NC(=O)Cc1cccc2ccccc12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95958249 LDBAQJREMNCCAP-XLIONFOSSA-N 396.531 4.534 0 40 GJAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1cc2cc(C(F)(F)F)ccc2s1 96343528 PNUQRKVMSHZAKR-CZUORRHYSA-N 396.478 4.914 0 40 GJAB COCc1cc(C)nc2sc(C(=O)Nc3cccc4ccccc34)c(N)c12 96592619 KVWGDBZZTITYED-UHFFFAOYSA-N 377.469 4.739 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 102173410 ZBULIMFQRZMOJA-KQTLUZQSSA-N 375.534 4.814 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 103718547 UUUZLSCCLCZQCQ-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 216276236 IGWWAARNDVANHI-NRFANRHFSA-N 393.483 4.673 0 40 GJAB O=C(c1ccccc1Cl)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220685194 UDYFYUDVNLWXGO-CQSZACIVSA-N 399.853 4.624 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)COc1ccccc1C 223030795 UAZVXFFGCZZRHQ-LPHOPBHVSA-N 375.896 4.698 0 40 GJAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 224325685 XMPNODGKGWKKEY-RTWAWAEBSA-N 376.529 4.766 0 40 GJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)c1 224518475 SIEYPLRKNXRNEE-QZTJIDSGSA-N 381.526 4.637 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1 225496105 QVJZQWFUKNBTTL-OFNKIYASSA-N 394.559 4.650 0 40 GJAB CCOCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cn1 225866967 USAHQEKYSVBZMG-UHFFFAOYSA-N 382.504 4.646 0 40 GJAB CCCCC[C@](C)(OCCC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225908652 BKCNCFLYIDFOHD-NRFANRHFSA-N 380.529 4.509 0 40 GJAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)nc12 408625743 FKCQOOOJWBEWQO-UHFFFAOYSA-N 399.541 4.827 0 40 GJAB O=C1N/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccc(F)cc1 409020218 MSNFJVNBAGJFCX-LDADJPATSA-N 394.427 4.663 0 40 GJAB CC(C)[C@@H](NC(=O)C[C@@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 575444037 UYIKSKPFNOAAKX-PZJWPPBQSA-N 392.528 4.919 0 40 GJAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cscc1C(F)(F)F 585114277 MSJZUIMUFGPENN-UHFFFAOYSA-N 392.406 4.563 0 40 GJAB COc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)c(OC)c1 628868 WEAGPZGFKKRUAX-UHFFFAOYSA-N 386.300 4.883 0 40 GJAB O=S(=O)(c1ccc2c(c1)-c1ccccc1C2)N1CCS[C@@H]1c1ccccc1 629888 WZJLZGKZNABKIE-JOCHJYFZSA-N 393.533 4.694 0 40 GJAB Cc1ccccc1C(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F 1036955 USNBABGVHZBHAN-UHFFFAOYSA-N 376.300 4.658 0 40 GJAB Fc1ccc(-n2nnnc2-c2cnc(-c3ccccc3)nc2-c2ccccc2)cc1 1038994 NMABFGCODIVAJU-UHFFFAOYSA-N 394.413 4.592 0 40 GJAB COc1cccc(C(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)c1 1329357 STHIVGHJLCJICD-UHFFFAOYSA-N 375.453 4.609 0 40 GJAB O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 1450869 UBRGLRXPUPHGBK-AWEZNQCLSA-N 378.086 4.878 0 40 GJAB c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3-c3ccccc3)n2)cc1 1569722 BEQVPFBRCICIIG-UHFFFAOYSA-N 375.455 4.878 0 40 GJAB C[C@]1(C(=O)Nc2cccc3ccccc23)CC1(Br)Br 2300674 VLOJVJXHBMLTRV-CQSZACIVSA-N 383.083 4.674 0 40 GJAB O=C(Nc1ccc2c(c1)OCCO2)c1cn(-c2ccccc2)nc1-c1ccccc1 2626234 SBGWQHJKGSEOTG-UHFFFAOYSA-N 397.434 4.563 0 40 GJAB Cc1c(C(=O)Nc2ccc(I)cc2)oc2ccccc12 2706695 UPJPEUAHRBTACD-UHFFFAOYSA-N 377.181 4.598 0 40 GJAB Cc1c(Br)c(C(=O)N(C2CCCCC2)C2CCCCC2)nn1C 2777824 GQWPPRZLCKZQLL-UHFFFAOYSA-N 382.346 4.599 0 40 GJAB Cc1c(Cl)ccc2c(C(=O)NC[C@H]3CCCO3)cc(-c3cccs3)nc12 4554218 DDWYIAVHLDULND-CYBMUJFWSA-N 386.904 4.834 0 40 GJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(C)ccc3C)c3ccccn23)cc1 4585228 YNPQZGLLZMLGMU-UHFFFAOYSA-N 397.478 4.930 0 40 GJAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)NC1CCCCC1 4601688 PEOCIMXJHZUWQD-UHFFFAOYSA-N 383.542 4.899 0 40 GJAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 4704248 IKMLMJNVHSBRQV-UHFFFAOYSA-N 394.858 4.660 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)c(C)c1 4746538 CBGREQOMTJMTEW-AVSIYSEJSA-N 392.480 4.535 0 40 GJAB Cc1nc(SCC(=O)Nc2cc(C(C)(C)C)no2)c2c(C)c(C)sc2n1 5320036 OZWBMPRPLIJKJJ-UHFFFAOYSA-N 390.534 4.633 0 40 GJAB O=C(Nc1ccncc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 5338083 VPJWDJJWXCOEBS-UHFFFAOYSA-N 386.238 4.893 0 40 GJAB COc1ccc(C2=NNC(c3cccs3)=Nc3ccc(C)cc32)cc1OC 5519014 JISRXLMHHKIYFC-UHFFFAOYSA-N 377.469 4.508 0 40 GJAB COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCCOC(C)C)cc1 5607517 QEBQARQVJYCJCZ-UHFFFAOYSA-N 388.847 4.926 0 40 GJAB CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 5672289 YCUWAWFNJCXWSM-UNOMPAQXSA-N 383.469 4.639 0 40 GJAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccc3ccccc23)NC(=O)N1 5943003 RWKHLYUXCGAMRU-JOCHJYFZSA-N 385.467 4.723 0 40 GJAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1Cl 6605408 ATYZZQIZZAZTGH-UHFFFAOYSA-N 397.833 4.871 0 40 GJAB Cc1nc(N2CCN(c3ccccc3)CC2)c2c3c(sc2n1)CCCCC3 6822413 CRRSUUBMUOYXIG-UHFFFAOYSA-N 378.545 4.595 0 40 GJAB CN(Cc1ccc(Br)cc1)C(=O)c1csc(-c2ccsc2)n1 7964708 YORYKMUBUPOMLW-UHFFFAOYSA-N 393.331 4.906 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1ccc(Cl)cc1 8051209 RBTQDARURNZCMS-QGZVFWFLSA-N 381.900 4.686 0 40 GJAB COc1c(C)cnc(-c2cc(-c3ccccc3)c(N3CCOCC3)s2)c1C 8715571 PRRREALZWLRGFC-UHFFFAOYSA-N 380.513 4.939 0 40 GJAB O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)NCC2CCCCC2)cs1 9319817 YZBVIMWXNWXJQE-UHFFFAOYSA-N 392.912 4.751 0 40 GJAB COc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1Cl 10139703 DRWPNDFQDXBJOM-UHFFFAOYSA-N 397.906 4.648 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 10684264 KJPBYBURCBIUGS-MRXNPFEDSA-N 382.504 4.530 0 40 GJAB O=C(Nc1ccc(OC(F)F)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F 10959351 VNFBJHRXRCPZQM-UHFFFAOYSA-N 397.303 4.745 0 40 GJAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 12627509 KPABTFAHEPSFPH-UHFFFAOYSA-N 397.434 4.696 0 40 GJAB C[C@H](Sc1nccn1C1CC1)C(=O)N(c1nccs1)C1CCCCC1 12647186 AUULDIDAVBKKGE-ZDUSSCGKSA-N 376.551 4.521 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(-c2ccccc2)n1C 12656140 GSCFOBIGTCHCFF-NXHRZFHOSA-N 387.549 4.578 0 40 GJAB CCC[C@H](NC(=O)c1ccccc1I)c1ccccc1 12787716 MGZTUZSMEMOTGY-INIZCTEOSA-N 379.241 4.562 0 40 GJAB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1c(Cl)cccc1Cl 12926649 CNPDWVWPVVXUQE-ZDUSSCGKSA-N 376.330 4.753 0 40 GJAB CC(=O)N(c1nc(COC(=O)c2ccsc2)cs1)c1ccc(C)cc1C 14202138 CTAUZWZVFWXNPS-UHFFFAOYSA-N 386.498 4.863 0 40 GJAB Fc1ccc(-n2ncc3c(Oc4ccc(Br)cc4)ncnc32)cc1 14204236 KYLZSIMGDPAWSM-UHFFFAOYSA-N 385.196 4.509 0 40 GJAB Cc1cc(C)c(NC(=O)COC(=O)/C=C/c2cccc3cccnc23)c(Cl)c1 14811786 VNEJDAZDQWCVOC-CMDGGOBGSA-N 394.858 4.700 0 40 GJAB O=C(NCCc1ccccc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 15344769 WRYRRGGZZXLDCO-UHFFFAOYSA-N 384.888 4.626 0 40 GJAB Cc1ccc([C@@H](NC(=O)CCc2ccc3c(c2)C[C@@H](C)O3)c2cccnc2)cc1 19136658 IHXHKUMAIFUSHL-IQGLISFBSA-N 386.495 4.552 0 40 GJAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]21 19293882 XILVKIZEWJNBSS-FKBYEOEOSA-N 398.547 4.504 0 40 GJAB Cc1cccc(OC2CCN(C(=O)c3cc(C(C)C)nc4onc(C)c34)CC2)c1 19663579 HTYSVCZOHUMLIK-UHFFFAOYSA-N 393.487 4.647 0 40 GJAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1 20141979 MKRWIWXGWUQSOS-HNNXBMFYSA-N 395.455 4.877 0 40 GJAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1ccc2c(c1)-c1ccccc1C2 22320800 LWBTVZGUXVZSQP-UHFFFAOYSA-N 386.838 4.504 0 40 GJAB Cc1cc(C)n(CCCNC(=O)c2ccccc2OCc2ccc(Cl)cc2)n1 23246349 FDGLZKSMJXZUCT-UHFFFAOYSA-N 397.906 4.552 0 40 GJAB CC1(C)Cc2cccc(OCCNC(=O)c3cc(Cl)ccc3Cl)c2O1 24449066 FKJCJTBJBHOVCF-UHFFFAOYSA-N 380.271 4.516 0 40 GJAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)cnc21 24716221 LOEOWLZTPCWVGT-NSHDSACASA-N 377.275 4.810 0 40 GJAB O=C1CN(C(=O)c2ccccc2)[C@H](c2ccccc2)c2ccc(Cl)cc2N1 28048000 PEFSDAQKMNMEPG-OAQYLSRUSA-N 376.843 4.524 0 40 GJAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 30315143 WTQCZEXMYBMMNE-OAHLLOKOSA-N 397.906 4.917 0 40 GJAB Cc1cc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1N1CCCC1 30448707 ZKYRLMXLAJPNJE-AWEZNQCLSA-N 382.533 4.683 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCc2noc(-c3ccsc3)n2)c1C 30790187 QKBHFMHNAVUSLO-UHFFFAOYSA-N 379.441 4.574 0 40 GJAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2ccccc2c1 31405310 UVBAIJIJUPXZHI-JXFKEZNVSA-N 392.524 4.631 0 40 GJAB CC(=O)c1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)s1 32900645 QZKLHYRURHGZAR-UHFFFAOYSA-N 379.441 4.847 0 40 GJAB O=C(Nc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1)c1ccco1 32978164 KHWGJNAYNKKHGA-UHFFFAOYSA-N 389.455 4.775 0 40 GJAB CCOc1c(Cl)cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1OC 33888459 YSRVRAGBQPSQJA-DHDCSXOGSA-N 392.238 4.745 0 40 GJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc1OC 36354959 JIKWARMUPIGIHM-CYBMUJFWSA-N 383.835 4.667 0 40 GJAB Cc1c(C(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)oc2c1C(=O)CC(C)(C)C2 40115499 POPNJHKTRMDYMK-GFCCVEGCSA-N 375.415 4.855 0 40 GJAB O=S(=O)(Nc1ccc(Oc2ccccc2)nc1)C1=Cc2ccccc2CC1 40146694 LJEASFIXKZKGSS-UHFFFAOYSA-N 378.453 4.603 0 40 GJAB O=C(c1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)co1)N1CCCCCC1 40282778 NSSDTQZBDPGPQQ-UHFFFAOYSA-N 396.270 4.542 0 40 GJAB C[C@@H]1CCCC[C@@H]1n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392402 CRWVUTIIXCUSJJ-DYVFJYSZSA-N 393.878 4.511 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 40913206 DKEPGDFPECMPMI-CQSZACIVSA-N 375.852 4.540 0 40 GJAB Cc1cc(C)c2c(CN3CCN(c4cccc(Cl)c4)CC3)cc(=O)oc2c1C 54106022 ZMDWXMXHJMCDDO-UHFFFAOYSA-N 396.918 4.694 0 40 GJAB biogenic Cc1oc(-c2ccccc2)nc1CCNc1nn2cc(C(C)(C)C)nc2s1 58168038 NTIJXKQDBZWNBR-UHFFFAOYSA-N 381.505 4.706 0 40 GJAB C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(-c2ccc(F)cc2)no1 58417588 GZZFINFONOLYNI-GFCCVEGCSA-N 385.464 4.697 0 40 GJAB Cc1cc(NC(=O)c2ccccc2OCc2cccc(Br)c2)no1 60860278 GEZOUJUVXOFNME-UHFFFAOYSA-N 387.233 4.577 0 40 GJAB CC(=O)N1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215735 GPYSEDPJPWQJIQ-LJQANCHMSA-N 387.524 4.839 0 40 GJAB COC(=O)CCOc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 72298139 LJUCZQURXSVXTM-UHFFFAOYSA-N 375.424 4.548 0 40 GJAB O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(Cl)cc1Cl 79501250 MTJWNJSMSYMINH-INIZCTEOSA-N 376.243 4.974 0 40 GJAB O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1CC1CCCCC1 88248220 GHRKRKSMQQLZNR-OQLLNIDSSA-N 396.306 4.771 0 40 GJAB FC(F)(F)c1cc(N2CCC[C@@H](c3nnc4ccccn34)C2)c2ccccc2n1 89866628 UBQDGFAEXNRRTO-CQSZACIVSA-N 397.404 4.680 0 40 GJAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3cc(C)ccc3F)n2)cc1 95975590 UEYGPBZTSGOIRK-CYBMUJFWSA-N 397.475 4.707 0 40 GJAB COC(=O)c1ccc(CCCCCCCCCCc2ccc(C(=O)O)nc2)cn1 207188084 CXLUZXYNRSVBKX-UHFFFAOYSA-N 398.503 4.867 0 40 GJAB biogenic COCc1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 223416284 FIWUBPYGVGCENE-UHFFFAOYSA-N 386.495 4.644 0 40 GJAB CC(C)CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223488174 QLPYJDSLXSVQMP-JOCHJYFZSA-N 398.522 4.714 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)CCSCc3ccccc3)ccc21 225157681 MRHDMWRXIYMVAW-UHFFFAOYSA-N 386.542 4.906 0 40 GJAB COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C(F)(F)F 225774399 GSDPLPRCUYUNSL-UHFFFAOYSA-N 397.368 4.540 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2cccc3ccccc23)no1 225830500 ZHQSHLCDTUASCM-INIZCTEOSA-N 383.451 4.800 0 40 GJAB CCc1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 408618550 DHWHECWUVHBOKC-UHFFFAOYSA-N 390.508 4.955 0 40 GJAB COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1cccc(F)c1 409114367 JHPNOKVZMSFRQD-UNOMPAQXSA-N 375.399 4.906 0 40 GJAB CCOc1cc(CNc2ccccc2C)cc(I)c1OC 409115798 HKMMBJQCRWELIF-UHFFFAOYSA-N 397.256 4.619 0 40 GJAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1 510081515 MUYIZGNQELFYLC-UHFFFAOYSA-N 383.416 4.803 0 40 GJAB O=C(N1CC[C@H](n2cnc3ccccc32)C1)C1(c2ccc(Cl)cc2)CCCC1 575615208 CCLUKYVPNLXLCT-IBGZPJMESA-N 393.918 4.975 0 40 GJAB Cc1nn(C(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c(C)c1Cl 648986 KTHAIDKITBWZOG-UHFFFAOYSA-N 380.875 4.910 0 40 GJAB O=C(N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 668073 IJQKWMITUBYXLU-NRFANRHFSA-N 391.442 4.701 0 40 GJAB aggregator O=C(O)CC1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 2386626 OAZYEKKFVGYBHJ-UHFFFAOYSA-N 379.456 4.559 0 40 GJAB biogenic O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccccc2)nn1-c1ccccc1 2653306 JHAMGSJDLVIXQK-UHFFFAOYSA-N 387.468 4.521 0 40 GJAB aggregator CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 4248111 UGXFUCFKGIELRL-JOCHJYFZSA-N 385.419 4.596 0 40 GJAB Cc1nc2sc([C@H](c3ccccc3Cl)N(C)Cc3ccccc3)c(O)n2n1 4340818 FIDRHXFFJQWSMH-KRWDZBQOSA-N 398.919 4.680 0 40 GJAB CCOC(=O)/C=C(/Nc1cc2cc(-c3ccccc3)[nH]c2cc1C)C(=O)OCC 4709041 QNZDIRPYUJUVTE-KGENOOAVSA-N 392.455 4.565 0 40 GJAB CC(C)Oc1cccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)c1 5072214 WLVXDCWZFQTWDE-UHFFFAOYSA-N 384.892 4.744 0 40 GJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Cl 6172427 XRKXETQSTWYGLG-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB N#CCn1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 6896521 WUIAKFHWLWINJT-ODLFYWEKSA-N 391.427 4.540 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c(C)c1 7928030 WFICHOUWUUNQFB-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB O=C(Nc1ccc(Cl)cc1F)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 8122818 YPXUQBLWTSBQCC-UHFFFAOYSA-N 399.853 4.558 0 40 GJAB Cc1c(Br)ccc(NC(=O)COC(=O)c2cccc(Cl)c2)c1C 8272720 PVGGHKNTLKPPMS-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB C[C@H]1C[C@@H](Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)C(=O)O1 8274742 HQXTVUMOUYUCEL-XHDPSFHLSA-N 377.897 4.510 0 40 GJAB Cc1ccc(N2C(=O)N(Cc3cc4ccc(C)cc4nc3Cl)C(=O)[C@H]2C)cc1 9691221 ITYPKXOUNDEOOK-OAHLLOKOSA-N 393.874 4.862 0 40 GJAB O=C(c1c(F)cccc1F)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 10254559 MWGCLDLHLSPDTP-UHFFFAOYSA-N 378.806 4.871 0 40 GJAB Cc1cc(C)c(C(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)cc1C 11423434 ADEFLGZEKQAANQ-UHFFFAOYSA-N 398.576 4.750 0 40 GJAB Cc1occc1-c1nc(N2CCC(c3ccncc3)CC2)ncc1-c1ccncc1 12222825 ZEZQUXMINCAJOT-UHFFFAOYSA-N 397.482 4.886 0 40 GJAB COc1ccc(Cn2nccc2NC(=O)c2oc3cc(C)ccc3c2C)cc1 12323350 XTZDCVBROLCLRU-UHFFFAOYSA-N 375.428 4.555 0 40 GJAB O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc(N2CCCC2)cc1 12522944 FSIWLGLTALGQKN-UHFFFAOYSA-N 389.499 4.521 0 40 GJAB Cn1cccc1[C@@H]1CCCN1[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 12568002 SHTVCSQULVJSJJ-FCHUYYIVSA-N 377.463 4.681 0 40 GJAB Cc1ccc(C(=O)CCC(=O)NCc2ccccc2COc2ccccc2)s1 12696739 GQBOVLLMCIZRON-UHFFFAOYSA-N 393.508 4.915 0 40 GJAB COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1OC 12796818 KUWNZQYTODWGOG-UHFFFAOYSA-N 394.452 4.504 0 40 GJAB COc1ccc2c(c1)c(-c1csc(NC(=O)Cc3ccccc3)n1)c(C)n2C 13570022 YCOCREXQDASLRR-UHFFFAOYSA-N 391.496 4.800 0 40 GJAB O=C(CCCn1c(=O)oc2ccccc21)Oc1ccc(Cl)c2ccccc12 14739895 IPMHVVUNHYAGBT-UHFFFAOYSA-N 381.815 4.787 0 40 GJAB COc1ccc([C@@H]2CC(=O)Nc3ccsc32)cc1OCc1ccc(F)cc1 15085666 CQVPPHXAPSUTAS-INIZCTEOSA-N 383.444 4.949 0 40 GJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(Cl)cc1F 15587577 VRBVPDRRYHVZRR-UHFFFAOYSA-N 379.869 4.875 0 40 GJAB COc1ccc(NC(=O)CCc2sc(C)nc2-c2cccs2)cc1OC 19819508 QCDWEZABJLHYKA-UHFFFAOYSA-N 388.514 4.769 0 40 GJAB CCn1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c(=O)c2cc(Cl)ccc21 22235006 OILPNXFCOMJNPH-LBPRGKRZSA-N 389.282 4.819 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1N1CCCCC1 25051906 VQJXESMWXNMOOD-QHCPKHFHSA-N 389.499 4.580 0 40 GJAB Cc1ccsc1-c1nnc2sc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)nn12 31808886 UFARURFZYOQWGD-UHFFFAOYSA-N 398.904 4.933 0 40 GJAB CCCOc1ccc(OCCOC(=O)CCCc2c[nH]c3ccccc23)cc1 32667629 KZHFRYFYNYRXIB-UHFFFAOYSA-N 381.472 4.902 0 40 GJAB COc1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(F)cc2)OC3=O)c1 33026883 UGNVAOFEQGDJEX-OAQYLSRUSA-N 391.398 4.541 0 40 GJAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccccc3C)C3CC3)cc2c1 35288860 ZYYJZMWUSXTCCH-UHFFFAOYSA-N 375.472 4.650 0 40 GJAB CC(C)Cc1noc(COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)n1 37143210 WDVANFXDUOBSLN-LFIBNONCSA-N 386.448 4.753 0 40 GJAB O=C(Nc1ccccc1OC(F)(F)F)c1ccc(OCc2cccnc2)cc1 40069879 IWKPALVIVVLTOO-UHFFFAOYSA-N 388.345 4.812 0 40 GJAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)Nc1cccc2ccccc12 40118804 HJEJKROZSGHKJU-UHFFFAOYSA-N 388.393 4.877 0 40 GJAB O=C(Nc1nc(-c2ccco2)cs1)c1cccnc1SCC(F)(F)F 40142253 FXYYAYYJJXOVIA-UHFFFAOYSA-N 385.392 4.705 0 40 GJAB Cc1nc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1Br 57335517 HCUJKYSNYAPZKE-UHFFFAOYSA-N 383.673 4.602 0 40 GJAB Cc1ncc(CN(C)C(=O)Nc2cccc(COc3cccc(F)c3)c2)s1 58324476 ODCHWENYVAVAEZ-UHFFFAOYSA-N 385.464 4.834 0 40 GJAB COc1ccc([C@H](C)NC(=O)Nc2cccc(-c3ncc(C)o3)c2)c(OC)c1 66958089 BCZXWNCBZKSIKA-AWEZNQCLSA-N 381.432 4.550 0 40 GJAB C[C@@H]1CN(c2ccccc2)CCN1Cc1c[nH]nc1-c1cccc2ccccc12 67489696 ITLTZAUJGJYSTR-LJQANCHMSA-N 382.511 4.941 0 40 GJAB CCn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 71785063 WJBPXFYDIOPTIY-XEPISHBBSA-N 378.516 4.519 0 40 GJAB Cc1nc(CN2CC(C)CN(Cc3nc(C)c(C)o3)c3ccccc32)oc1C 78970322 VSZFNGRXSJKCBH-UHFFFAOYSA-N 380.492 4.559 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)CN2CC[C@@H]2c2ccc(Cl)cc2)c1 84807835 VTZWLPILILASLA-LJQANCHMSA-N 388.895 4.523 0 40 GJAB CCCOc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1 97987541 MOOPWIBTRFUIRG-GZTJUZNOSA-N 386.245 4.582 0 40 GJAB CC(=O)Oc1ccc(-c2cccc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2)cc1 102245526 GSJVRRGLJLPSLU-RWNBKVOJSA-N 377.484 4.833 0 40 GJAB COc1cccc(NC(=O)Nc2ccccc2-c2cn3ccccc3n2)c1OC 206910147 PITJKNPUVWMUJB-UHFFFAOYSA-N 388.427 4.663 0 40 GJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c1 219301411 PDNFFFSJYUVXQL-FQEVSTJZSA-N 383.532 4.915 0 40 GJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)N[C@H]1CCCc2ccccc21 219469937 MDRMOVVWSKTEET-NRFANRHFSA-N 384.479 4.774 0 40 GJAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 222755864 GDWOWOQKGGKPAE-FCHUYYIVSA-N 384.508 4.628 0 40 GJAB COc1cccc(OCc2cc(C(=O)Nc3ccc(F)cc3F)ccc2OC)c1 224253889 HPDTXWICNFEEJC-UHFFFAOYSA-N 399.393 4.813 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 225194355 MQXNQUDBQMHMRF-DEOSSOPVSA-N 395.543 4.871 0 40 GJAB COc1cc(Br)c2[nH]c(-c3cccc(Br)c3)nc2c1 226343300 XKRRGDVZKQDRFD-UHFFFAOYSA-N 382.055 4.764 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C 229798871 HYBSWXMRQOAMFV-DOQJBMMISA-N 396.560 4.783 0 40 GJAB COC1(COc2ccc(C)cc2C)CCN(Cc2ccc3[nH]ccc3c2)CC1 257206557 BDZSAQPEJGREES-UHFFFAOYSA-N 378.516 4.845 0 40 GJAB COc1ccc(CCNC(=S)c2cccc(OCc3ccc(F)cc3)c2)cc1 408577595 TXUTYTSZQKMNCM-UHFFFAOYSA-N 395.499 4.921 0 40 GJAB CCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1 409094749 FZCAUVKNJWVCDK-UHFFFAOYSA-N 380.517 4.703 0 40 GJAB O=C(Nc1nccc(Br)c1O)c1csc(C2CCCCC2)c1 1150032091 LIYKJWBGSQRXCE-UHFFFAOYSA-N 381.295 4.911 0 40 GJAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc(OC(C)C)c1 722907 DDWDGDRRQHLKSQ-UHFFFAOYSA-N 386.455 4.768 0 40 GJAB Cc1cc(C)cc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1 976589 VGLOCQDKEQVJSD-UHFFFAOYSA-N 382.467 4.868 0 40 GJAB Cc1cc(-c2ccccc2)nc(SCC(=O)N2CCCc3ccccc32)n1 1088180 QXNQRBRESNGONU-UHFFFAOYSA-N 375.497 4.524 0 40 GJAB CC(=O)N1CCc2cc(-c3nc(NC(=O)CC4CCCCC4)sc3C)ccc21 1365489 LKUDPMBDEZUJQY-UHFFFAOYSA-N 397.544 4.936 0 40 GJAB Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(F)cccc1Cl 3293619 XOKFIPNNPZSMQZ-UHFFFAOYSA-N 398.894 4.821 0 40 GJAB Cc1sc2ncnc(SCC(=O)N[C@H]3CCCc4ccccc43)c2c1C 3604188 DLHFLUVPACBSRY-INIZCTEOSA-N 383.542 4.594 0 40 GJAB CC(=O)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 4592212 RBYSVCCCIONBQM-UHFFFAOYSA-N 393.826 4.749 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2N=C3CCCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1 4673050 OHLBUEFLBNSUHL-DNVCBOLYSA-N 382.426 4.627 0 40 GJAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 4741116 DMLGALDRQNWICS-UHFFFAOYSA-N 394.446 4.772 0 40 GJAB S=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CCC[C@H](C1)N2C1CCCC1 4887438 XCPZQPKXBWLDQZ-JLYLLQBASA-N 377.985 4.955 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C1CCCCC1)CC2 4933018 WTQQTAZJIOXANK-NRFANRHFSA-N 385.529 4.820 0 40 GJAB S=C(c1ccccc1OCc1ccc(Cl)cc1Cl)N1CCOCC1 5867947 KSTMVAVXJBHIIT-UHFFFAOYSA-N 382.312 4.580 0 40 GJAB CSCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 6664271 QNKCJHDZQDAWKI-FQEVSTJZSA-N 392.528 4.587 0 40 GJAB CNc1nnc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)s1 7102107 OOIUFZLDDRJKMZ-KRWDZBQOSA-N 380.498 4.777 0 40 GJAB CCCC[C@@H](C)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O 7660712 NHGHITVUZOKEHC-UKRRQHHQSA-N 385.895 4.808 0 40 GJAB CSc1ccc2cc(Cn3cc(Br)ccc3=O)c(Cl)nc2c1 7777629 DCOPRLBVMCUYRR-UHFFFAOYSA-N 395.709 4.583 0 40 GJAB CC(C)(C)NC(=O)COc1ccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1 8534525 SUQPSVQGNPUQQF-SFWXWQOYSA-N 398.591 4.819 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 8708468 JSJKLJYZGBYLOC-UHFFFAOYSA-N 384.439 4.545 0 40 GJAB Cc1noc(C)c1COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 9594085 GJRVZIZTWHEYJE-QFIPXVFZSA-N 389.455 4.599 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2ccccn2)cs1 9657863 DMVPCYDOGBDBMX-UHFFFAOYSA-N 378.482 4.889 0 40 GJAB CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 10331788 PZJDZJVMHHYOJY-UHFFFAOYSA-N 390.483 4.904 0 40 GJAB Cc1ccc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)c(Br)c1 10411755 BYELSODCXFJBDW-UHFFFAOYSA-N 387.281 4.644 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 10445899 PRGCGUBWOWCVNE-MRXNPFEDSA-N 383.488 4.875 0 40 GJAB Cc1noc(C)c1CC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 10972351 DBSWVPXSKJFABM-UHFFFAOYSA-N 395.406 4.539 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 11620751 YPAQNQYHYGEAIB-UHFFFAOYSA-N 394.302 4.653 0 40 GJAB Cc1ccc(-c2ccccc2CC2(C(=O)NCC(F)F)CCOCC2)c(C)c1 12366602 MCIBNTAKLGWNOW-UHFFFAOYSA-N 387.470 4.691 0 40 GJAB O=c1cc(COc2c(Cl)cccc2Cl)nc2sc3c(n12)CCCC3 12811106 KWLFSZATHCOBIH-UHFFFAOYSA-N 381.284 4.521 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc2c(s1)CCCCC2 12827805 GSCWDCSCURMTQR-UHFFFAOYSA-N 386.908 4.812 0 40 GJAB COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 13564054 IXKMRGOQLGZODC-QGZVFWFLSA-N 385.467 4.584 0 40 GJAB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1Cc1cccc2ccccc12 14131966 XCXKUXXCHGDSAR-RGVLZGJSSA-N 389.432 4.805 0 40 GJAB C[C@H]1Sc2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc2NC1=O 14376861 CWVLCPWOHVMCHI-SNVBAGLBSA-N 399.472 4.634 0 40 GJAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)cc(Br)c1OCC 15011355 WXUDWMXRQSDOQK-NTEUORMPSA-N 388.261 4.739 0 40 GJAB O=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1cccnc1 15729430 CLPFMFZETOQGBQ-UHFFFAOYSA-N 376.799 4.965 0 40 GJAB biogenic O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1ccc2ccccc2c1 24000019 ISESWLWYWYYHEF-XMMPIXPASA-N 396.490 4.962 0 40 GJAB CNc1nc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nc2ccccc12 24977951 UHSAQTSXRDVIJQ-LBPRGKRZSA-N 386.908 4.753 0 40 GJAB O=C(c1c[nH]c2ccccc12)[C@H](NC[C@@H]1COc2ccccc2O1)c1ccccc1 25665002 JJSSECSJEFTAER-HOYKHHGWSA-N 398.462 4.522 0 40 GJAB Cc1cc(C(=O)N2CCCc3ccccc32)c2c(C)nn(-c3ccccc3)c2n1 27934362 NTPUBXKHJWKPLQ-UHFFFAOYSA-N 382.467 4.630 0 40 GJAB Cc1noc(CSc2ccccc2C(=O)N2CC=C(c3ccccc3)CC2)n1 31111607 YQYDQYJLLDXUJH-UHFFFAOYSA-N 391.496 4.600 0 40 GJAB CCOc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccnc1 32034046 RKZZRAAQUTXVNC-UHFFFAOYSA-N 376.456 4.928 0 40 GJAB Cc1ccc(NC(=O)CSCc2cc(=O)c3c(C)cc(C)cc3[nH]2)c(C)c1 33063730 PJCCVXLOZJSQML-UHFFFAOYSA-N 380.513 4.634 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2ccccc2Cl)c1[C@H]1C(=O)Nc2ccccc21 36358333 COCOJEIXSWZIPM-KRWDZBQOSA-N 380.831 4.514 0 40 GJAB CCN(C(=O)CSc1nc2ccccc2n1C(F)F)c1ccc(F)cc1 36796006 UGMXZPIPOISOSO-UHFFFAOYSA-N 379.407 4.716 0 40 GJAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 38752528 KFCZCLURYOWYHX-UHFFFAOYSA-N 389.860 4.942 0 40 GJAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 40104765 ILIQCPUJGFTWBR-QYZOEREBSA-N 387.524 4.531 0 40 GJAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@@H](Oc1ccccc1)c1ccccc1 40130590 PSVOSFQVTLAUQF-QHCPKHFHSA-N 386.451 4.572 0 40 GJAB O=C(CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1)N1CCCC1 44087209 QPGUJOSDSRWGDP-UHFFFAOYSA-N 397.931 4.907 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1nc(Cl)ccc1Cl 55742073 NGLNYBVFPAMEFG-UHFFFAOYSA-N 392.286 4.657 0 40 GJAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 59500384 YSLRGAYAMFNPGA-ZOVQAKDCSA-N 393.486 4.956 0 40 GJAB biogenic CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72214527 HUWUCGLJQVNJLO-INIZCTEOSA-N 391.512 4.915 0 40 GJAB Cc1cc(OC(F)F)c(C(=O)Nc2cccc(CN3CCCCC3)c2)s1 79309420 NAWUVHZHSNHXES-UHFFFAOYSA-N 380.460 4.896 0 40 GJAB CSc1ccccc1C(=O)NCc1ccc([C@@H](O)c2cccs2)s1 90613553 ZMMDULGBNALOBP-KRWDZBQOSA-N 375.540 4.543 0 40 GJAB CC(C)[C@H](Nc1nn2cc(C(C)(C)C)nc2s1)c1ccc2c(c1)OCCO2 95360850 NBSOSZYBYBASNZ-KRWDZBQOSA-N 386.521 4.669 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1 95482146 SDFZGNDXFZHOAE-INIZCTEOSA-N 390.870 4.583 0 40 GJAB CN(C)c1ccc(-c2cc(-c3ccccc3)nn2[C@@H]2C(=O)Nc3ccccc32)cc1 95557027 INGRWHMEMCZHCO-DEOSSOPVSA-N 394.478 4.825 0 40 GJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCCC2)C12CCCC2 96344093 RFDRCHNZDDRSCJ-OAQYLSRUSA-N 382.548 4.788 0 40 GJAB CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccc(F)cc3)C1=O)CCC2 98086357 LLUGGTIMFYDBKI-UDWIEESQSA-N 397.471 4.950 0 40 GJAB CC(=O)Oc1ccc(-c2cccc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2)cc1 102245513 GSJVRRGLJLPSLU-MJISLDTMSA-N 377.484 4.833 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2cccs2)C[C@@H](c2ccc(F)cc2)C1 102839069 FXIJXCKSQWEFDY-PIGZYNQJSA-N 382.420 4.899 0 40 GJAB CCc1nnc(S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)O)o1 213410996 ASQFIAXIYZWDNI-ZROIWOOFSA-N 376.821 4.763 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 216226363 UIEFKIYGYCXTTQ-RTBURBONSA-N 380.532 4.808 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 222899325 CRGHVLFUMCLEFV-LEWJYISDSA-N 397.515 4.834 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccccc1F 222994279 FEMRVTAVPWCDBN-FQEVSTJZSA-N 375.509 4.650 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)C 223015645 RRPGLFILYHMQQW-IBGZPJMESA-N 388.895 4.583 0 40 GJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)s2)c1 224518637 XGDYSJLKMQLJPU-OALUTQOASA-N 381.526 4.637 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1C(C)C 224637652 KANMPRIDISIXJW-UHFFFAOYSA-N 381.497 4.871 0 40 GJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CN(Cl)C[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245241299 ZXLHRZRTZBQUAS-CZGJHWADSA-N 379.972 4.725 0 40 GJAB COCCC(=O)N[C@]1(C)C[C@H](c2cccc(Cl)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257288328 PTTSOHWBHNGXGN-BLVIHDEWSA-N 379.928 4.518 0 40 GJAB CCc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)CC)cc3)CC2=O)cc1 408653157 FCAHPBYESJKJEP-SFHVURJKSA-N 379.500 4.895 0 40 GJAB O=C(Nc1ccccc1)Nc1cccc(CNc2ncnc3sccc23)c1 502724688 FEETXBIYYPEEKL-UHFFFAOYSA-N 375.457 4.947 0 40 GJAB CCOc1nc(C)ccc1-c1nc(-c2cc(Cl)c(OCC)c(OC)c2)no1 577323013 POZXYDOBXAZWKW-UHFFFAOYSA-N 389.839 4.566 0 40 GJAB Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1Cl 604893563 YADQNOJKYJBEBW-CQSZACIVSA-N 395.837 4.650 0 40 GJAB CC(C)CN(C(=O)c1ccn(C2CCOCC2)n1)[C@H](C)c1ccccc1Cl 628032152 OTDATKCKGVCSGX-MRXNPFEDSA-N 389.927 4.747 0 40 GJAB CCc1ccc2nc(NC(=O)c3[nH]c(-c4cccc(OC)c4)nc3C)sc2c1 1160432632 YEIUTFZHEQRHEO-UHFFFAOYSA-N 392.484 4.818 0 40 GJAB O=C(CCc1ccccc1)Nc1ccc(Br)cc1Br 668778 TWQFTHILXLUTJJ-UHFFFAOYSA-N 383.083 4.783 0 40 GJAB COc1ccc(C(=O)CSc2nc(C)nc3sc4c(c23)CCCC4)cc1 783250 QAQVMIQMGDZZCX-UHFFFAOYSA-N 384.526 4.862 0 40 GJAB Brc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 859564 FRBUOCBLXNOMAX-UHFFFAOYSA-N 380.039 4.929 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(Nc3ccccc3)n2-c2ccccc2)o1 1076364 GJUZPIOWDJLNIH-UHFFFAOYSA-N 390.468 4.887 0 40 GJAB Cc1cc(C)cc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)s2)c1 1342222 JNSINOYUCZCKJG-UHFFFAOYSA-N 384.545 4.769 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc4ccccc4n3)cc2)cc1 2630156 CFLSNVGEFSPTIG-UHFFFAOYSA-N 397.434 4.748 0 40 GJAB C1=NC2=NC3=C([C@H](c4ccccc4)N2N1)[C@H](c1cccs1)Oc1ccccc13 2707201 HCIYGSKPFCTAAW-SFTDATJTSA-N 384.464 4.552 0 40 GJAB COc1ccc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)cc1 3232076 ZGULWVFVTXRRJR-UHFFFAOYSA-N 390.464 4.989 0 40 GJAB CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 3251866 QIIJRIWEUSLSJB-UHFFFAOYSA-N 387.439 4.581 0 40 GJAB COc1cccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)c2ccccc2)c1 3507059 BDAOGHYGAGATRU-HXUWFJFHSA-N 395.842 4.885 0 40 GJAB C[C@@H](CCC(=O)O)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 3850239 XWJTYEGVQBFZHI-LDUMMLLHSA-N 390.564 4.542 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 4031651 UTUQDWVGPWFOFO-UHFFFAOYSA-N 395.842 4.841 0 40 GJAB Cn1c(SCc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3 5070783 GGASIZHTBMTNAB-UHFFFAOYSA-N 376.934 4.820 0 40 GJAB COCCCn1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21 5156316 ZWCLAZLMWNIJQL-UHFFFAOYSA-N 387.270 4.990 0 40 GJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1ccccn1 5167970 ZDDHRHWEIOQNQB-UHFFFAOYSA-N 398.509 4.718 0 40 GJAB Cc1ccc(Cl)c(NC(=O)CSc2nnc(C3CC3)n2C2CC2)c1Cl 5399389 AUYYIXCKOLPXAI-UHFFFAOYSA-N 397.331 4.836 0 40 GJAB CCCCC1CCC(C(=O)Nc2nonc2-c2ccc(OC)c(OC)c2)CC1 5484571 SKLUHPRRXCSPRL-UHFFFAOYSA-N 387.480 4.689 0 40 GJAB CCOc1ccc2nc(SCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 6000393 QCGLLEVIHPAICZ-UHFFFAOYSA-N 377.469 4.846 0 40 GJAB COc1ccc2c(c1)CCc1cc(C(=O)Nc3ccc(OC)c(OC)c3)sc1-2 6579653 BAIARDVQFYSXTO-UHFFFAOYSA-N 395.480 4.792 0 40 GJAB CCCOC(=O)c1cc(NC(=O)Cn2c(C)cc3ccccc32)ccc1Cl 6629658 UBBBDWCDGRSQAF-UHFFFAOYSA-N 384.863 4.809 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccccc1)c1ccccc1 6838083 SCIAKCUKYNRKLL-NRFANRHFSA-N 375.424 4.540 0 40 GJAB S=C(c1ccccc1OCc1ccc(Br)cc1)N1CCCC1 6884512 QWXRNXJQMUAOSQ-UHFFFAOYSA-N 376.319 4.799 0 40 GJAB c1ccc(-c2nnc(CN3CCC(c4nc5ccccc5s4)CC3)o2)cc1 7984300 PHESSCCTFZPOQB-UHFFFAOYSA-N 376.485 4.726 0 40 GJAB COc1ccc(C(=O)CN(C2=NCCCS2)c2cc(C)ccc2C)cc1OC 8410735 ZGIKRGNBFYOBQJ-UHFFFAOYSA-N 398.528 4.503 0 40 GJAB Cc1ccc(-c2nn(CC(=O)c3ccc(OC(F)F)cc3)c(=S)o2)cc1 8550646 SODHIQMXGXPVFV-UHFFFAOYSA-N 376.384 4.665 0 40 GJAB Cc1n[nH]c(-c2ccc(OCCN3CCC[C@H](C)C3)cc2O)c1-c1ccccc1 8743968 CVFCZPZOIPRAGY-KRWDZBQOSA-N 391.515 4.868 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2[nH]c3ccccc3c2C1 9899763 TUNDFIHNFYMTDZ-GFCCVEGCSA-N 389.282 4.827 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 10287113 PJEOPQIITYMPLX-RNODOKPDSA-N 388.895 4.869 0 40 GJAB COc1cccc(F)c1-c1nc(C)c(C(=O)Nc2ccc3cc[nH]c3c2)s1 12391955 ZHPPBUYNJJNZHG-UHFFFAOYSA-N 381.432 5.000 0 40 GJAB CC(C)n1ncc2cc(C(=O)N(C)Cc3cccc(Cl)c3Cl)cnc21 12902079 AFJQKWCOORGUPF-UHFFFAOYSA-N 377.275 4.591 0 40 GJAB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 14831696 OUUWHZUICMTIGG-UHFFFAOYSA-N 383.517 4.531 0 40 GJAB COc1cccc(-n2nnc(-c3nc(-c4cc(C)ccc4C)cs3)c2C)c1 17026607 YXULQJRDMKKKJH-UHFFFAOYSA-N 376.485 4.992 0 40 GJAB c1ccc(Cc2ccc([C@@H]3CN(Cc4ccnc5ccccc45)CCO3)nc2)cc1 19692399 OMWYDDLOHLBUAK-SANMLTNESA-N 395.506 4.794 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(C)s3)c3c(C)noc3n2)s1 25001567 RIKWTLGKPNYPJY-UHFFFAOYSA-N 384.486 4.894 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)no2)cc1C 27662590 PVXQUMWNHQNLAT-UHFFFAOYSA-N 395.890 4.574 0 40 GJAB COc1ccc(OCC(=O)N(Cc2ccc(C(C)C)cc2)c2ccccn2)cc1 27664448 RNCCRJKRUNCUNP-UHFFFAOYSA-N 390.483 4.826 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3nc4c(C)cccc4s3)cc2)n1 27970513 YPXDOEAPHZLXGF-UHFFFAOYSA-N 376.485 4.719 0 40 GJAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1Cl 28220859 WMTWELPEQYKZNJ-OAHLLOKOSA-N 393.314 4.853 0 40 GJAB Cc1cc(C(=O)NCCc2c[nH]c3ccccc23)c(C)n1Cc1cccs1 32737998 XXXSJUJFXSDDGM-UHFFFAOYSA-N 377.513 4.669 0 40 GJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C1(c2ccccc2)CCC1 39527471 GESUWCLJCBJJHQ-UHFFFAOYSA-N 386.499 4.732 0 40 GJAB O=C(CSCc1csc(-c2ccsc2)n1)NCc1ccc(F)cc1 40067457 CBQRBDWHPHMLIF-UHFFFAOYSA-N 378.519 4.560 0 40 GJAB COCCOc1ccc(CNC(=O)c2sccc2-c2ccc(C)cc2)cc1 40134219 BRFYBYPLXKNLOW-UHFFFAOYSA-N 381.497 4.679 0 40 GJAB CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44901051 AMEHHSRXZRDVLH-NRFANRHFSA-N 382.548 4.644 0 40 GJAB C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccccc1 46078388 IEPMUBQMBSPGLQ-SFHVURJKSA-N 384.479 4.771 0 40 GJAB Cc1ccc2c(Nc3cccc(F)c3)c(C(=O)N3CCCCCC3)cnc2n1 49004683 ISNIRBFBBISEDP-UHFFFAOYSA-N 378.451 4.837 0 40 GJAB CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)c1ccc(N2CCCCC2)cc1 57719722 DCEMYCINOLWCPR-UHFFFAOYSA-N 391.515 4.554 0 40 GJAB COc1cccc(CN[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 58219028 MNCLEOZSAWLUSA-JTQLQIEISA-N 387.694 4.772 0 40 GJAB CC(C)Cc1cc(NC(=O)c2ccc(C3SCCCS3)cc2)n(C)n1 64434143 URFKZSFFLVXLEP-UHFFFAOYSA-N 375.563 4.740 0 40 GJAB Cc1ccc(-c2cc3c(SCC(=O)NC4CCCCC4)nccn3n2)cc1C 67289647 NEEHVSXHZWSJNC-UHFFFAOYSA-N 394.544 4.554 0 40 GJAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C=O)cn1)C1CCCCC1 72215715 BFEMIKQGTWLTFM-LJQANCHMSA-N 387.524 4.839 0 40 GJAB CCn1c([C@H]2CCCN2CC(=O)Nc2cccc(Cl)c2C)nc2ccccc21 72314373 MQAIYBAUATXABZ-HXUWFJFHSA-N 396.922 4.794 0 40 GJAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2ccc(Br)cc2F)C1 72404599 QJJIZCNCZSTVOM-CYBMUJFWSA-N 390.212 4.550 0 40 GJAB CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)Cc1c(C)noc1C 89969247 ZLFIQVMFQLGAQT-KRWDZBQOSA-N 385.291 4.725 0 40 GJAB CSCc1c(C(=O)N2CC[C@H](n3ncc4ccccc43)C2)oc2ccccc12 95469093 MVQABKCYWOLHGI-INIZCTEOSA-N 391.496 4.733 0 40 GJAB OC1=Nc2c(cnn2Cc2ccccc2Cl)[C@H](c2ccc(O)cc2)SC1 95478553 UPJGPUPIGSJQHY-SFHVURJKSA-N 385.876 4.715 0 40 GJAB Cc1sc(NC(=O)c2ccc([S@@](C)=O)cc2)nc1-c1ccc2c(c1)CCC2 95962152 XRRPPRZWTHMBQV-MHZLTWQESA-N 396.537 4.597 0 40 GJAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@H]3c1ccc(OCC(C)C)cc1 96221354 IKLUNDMSUKIBID-SFHVURJKSA-N 378.424 4.577 0 40 GJAB biogenic CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc(Cl)s3)nnc12 100477098 BLXMCHKTMDDUJD-XYZCENFISA-N 379.938 4.736 0 40 GJAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(CN2CCCC[C@H]2C)c1 141579662 YWDOSNSIZGCFQC-GOSISDBHSA-N 390.531 4.612 0 40 GJAB O=C(CSc1ccc(F)cc1)NCc1ccc(C(=O)c2ccsc2)s1 211084251 ROCVBSHKGVJNSU-UHFFFAOYSA-N 391.514 4.588 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C 222870256 YODOSSSLCUCAAU-LEWJYISDSA-N 382.577 4.998 0 40 GJAB COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223294791 RKGMHAALCXHUOR-OPAMFIHVSA-N 379.500 4.535 0 40 GJAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223406988 MHIBAUGPSKHKPC-OAQYLSRUSA-N 386.923 4.736 0 40 GJAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1cccc(OC)c1 224591307 LCXYKEGJKXLADY-UHFFFAOYSA-N 383.488 4.689 0 40 GJAB O=C(NCCc1ccccc1)c1ccccc1NC(=S)Nc1ccc(F)cc1 225457967 BODZSUKUVUIXGE-UHFFFAOYSA-N 393.487 4.607 0 40 GJAB Cc1cccc([C@@H](NC(=S)Nc2ccc3c(c2)OCCO3)c2ccccc2)c1 225699486 WWOQVVSXXJLVJS-QFIPXVFZSA-N 390.508 4.842 0 40 GJAB CO[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(Cl)s1 225703231 DXBADFOKIUXURJ-ZDUSSCGKSA-N 388.316 4.716 0 40 GJAB Cc1nc(Nc2ncc(C)s2)cc(C2CCN(C(=O)C3CCCCC3)CC2)n1 257296697 RDZSAICMTAVTKS-UHFFFAOYSA-N 399.564 4.580 0 40 GJAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)cc1 257325956 WVEVOLHZPMZEPE-JCNLHEQBSA-N 381.501 4.810 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)c1C 409108891 YQFMSIIWSVYQPG-UHFFFAOYSA-N 394.544 4.949 0 40 GJAB COc1ccc(-c2noc([C@H](NC(=O)c3ccccc3C)C(C)(C)C)n2)cc1 585152369 VGPSOZFDVVNMNV-SFHVURJKSA-N 379.460 4.571 0 40 GJAB O=C(Nc1cccnc1Oc1ccc(Cl)cc1Cl)N1CC2(CCCO2)C1 626546209 MEEOXPMRLZEHFG-UHFFFAOYSA-N 394.258 4.577 0 40 GJAB CC(C)(c1ccc(NC(=O)Nc2ccc3c(c2)CNCCO3)cc1)C(F)(F)F 667841633 RCMGSNYRGSXHTD-UHFFFAOYSA-N 393.409 4.653 0 40 GJAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615152554 AKKBSSHOGCHYPQ-HSZRJFAPSA-N 399.510 4.909 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)c4cc(OC)ccc4OC)c(N)c3cc2C1 661979 ZRJQLWFGAJIOQI-LBPRGKRZSA-N 396.512 4.642 0 40 GJAB COc1cc(NC(=O)c2cc(-c3ccccc3Cl)on2)c(OC)cc1Cl 815156 UBZROVULBSIONA-UHFFFAOYSA-N 393.226 4.918 0 40 GJAB COc1ccc(-c2c(C)c3cc(Br)ccc3oc2=O)cc1OC 1080960 CFKMEGOYBPRGGR-UHFFFAOYSA-N 375.218 4.548 0 40 GJAB biogenic O=C(Nc1ccc(F)cc1F)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 1368617 BMANXMJEXVVXFP-OALUTQOASA-N 385.458 4.672 0 40 GJAB CSc1nc2c(=O)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2s1 1644420 IISXIORBGJXQJV-UHFFFAOYSA-N 383.523 4.689 0 40 GJAB CCCOc1ccc(-c2csc3ncn(Cc4ccccc4)c(=O)c23)cc1 1911986 AOEYHPOWOUGZGR-UHFFFAOYSA-N 376.481 4.962 0 40 GJAB Cc1c(Cl)cccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 1934394 BUOYMURLNOGCCR-UHFFFAOYSA-N 393.870 4.962 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 2444293 QHCCSYAPPFSZHJ-UHFFFAOYSA-N 394.544 4.819 0 40 GJAB Cc1ccccc1-c1nsc(SCC(=O)NCc2ccccc2Cl)n1 2917611 MSQSWIIUBOKPBL-UHFFFAOYSA-N 389.933 4.575 0 40 GJAB COc1ccc(C2=N/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)O2)cc1 3003466 LYVAWNVFOOOXBQ-HZHRSRAPSA-N 399.446 4.927 0 40 GJAB Cc1cccc(OCC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 3184456 FACPQACMPLXEDP-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1cccc(Cl)c1 3302525 YOJAJUDINLLTCS-UHFFFAOYSA-N 393.826 4.760 0 40 GJAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN(CC)CC 3321303 RUMZPNULIJMPME-UHFFFAOYSA-N 394.924 4.526 0 40 GJAB CCOCc1c(C(=O)OCC(=O)c2ccc(Cl)s2)oc2ccccc12 3544402 WBGHTGBDFCTTRE-UHFFFAOYSA-N 378.833 4.724 0 40 GJAB O=C(/C=C/c1ccccc1)NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1 4315839 PUJLROHTJZXGPJ-IZZDOVSWSA-N 383.904 4.652 0 40 GJAB COc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 6267349 VQZYJFKIGCMSDV-UHFFFAOYSA-N 380.469 4.699 0 40 GJAB Cc1ccc(-n2c(C)cc(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 6367889 SFBYGFZASVJANQ-CIAFOILYSA-N 393.403 4.665 0 40 GJAB COc1cc(CSc2ncc(-c3ccccc3)n2C)ccc1OC(F)F 7140846 RPOPLKVSEIVYQL-UHFFFAOYSA-N 376.428 4.989 0 40 GJAB COc1ccc2cc(CN(C)CC(=O)Nc3ccc(F)cc3Cl)ccc2c1 7926581 KGNRFSMLRCMOER-UHFFFAOYSA-N 386.854 4.711 0 40 GJAB COc1c(Br)cc(CNc2ccc(F)cc2)cc1Br 8106409 ODIUPMNSEYVOTL-UHFFFAOYSA-N 389.062 4.971 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 8434287 SFBVRZJAXAOVQZ-IAGOWNOFSA-N 396.874 4.580 0 40 GJAB C[C@H](Sc1nccn1-c1ccc(Cl)cc1)c1nc2ccccc2c(=O)[nH]1 8725193 AZHTVDOVKVJZET-LBPRGKRZSA-N 382.876 4.616 0 40 GJAB COc1ccc(-c2cnc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]2)cc1 8770070 WESCZWMVIQZHDG-UHFFFAOYSA-N 381.501 4.741 0 40 GJAB Cc1cc(C)cc(-n2ncc3c(N4CCC(Cc5ccccc5)CC4)ncnc32)c1 9627428 UMEYYTZZGHEDJG-UHFFFAOYSA-N 397.526 4.891 0 40 GJAB CC(C)c1ccccc1-n1ccnc1SCC(=O)N1CCc2sccc2C1 10989592 XUMQGXJTZJNXEE-UHFFFAOYSA-N 397.569 4.734 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C3CC3)[nH]2)c(C)n1CCC1=CCCCC1 11471898 DUZQMUMYESADDW-UHFFFAOYSA-N 384.549 4.966 0 40 GJAB O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 12420934 MNWOCSUKATWQLW-QGZVFWFLSA-N 390.493 4.744 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](c1cccs1)N1CCCC1 12803457 LINBQHAUQBZVNK-QGZVFWFLSA-N 397.569 4.747 0 40 GJAB CCC[C@@H](NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12)c1ccccc1 12928129 GEOLFUYZMWALFX-QUCCMNQESA-N 392.528 4.811 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)c2sc(-c3cccs3)nc2C)c1 13002390 KQWBIXQXGWXSHV-NSHDSACASA-N 388.514 4.688 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 14012187 AXQLZVKFBIGBGM-KRWDZBQOSA-N 388.467 4.829 0 40 GJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(N2CCCCC2)cc1 14075052 FIMASMVFLKSRPE-UHFFFAOYSA-N 377.492 4.563 0 40 GJAB O=C(CCCOc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 14400570 DOQOAELRLZGVTN-UHFFFAOYSA-N 393.314 4.501 0 40 GJAB CSc1cccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1 14428339 GZDYMRLXLVZYIX-UHFFFAOYSA-N 382.485 4.774 0 40 GJAB O=C(O/C(=C1/CCCC[C@H]1N1CCOCC1)c1ccccc1)c1ccccc1 19897752 FTUJSFRVSGWROP-RKKARLDVSA-N 377.484 4.530 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1Cl 20030025 NXJVFNROGJQRLE-UHFFFAOYSA-N 397.777 4.697 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)ccc1Cl 20456492 PPFQZVBAUJCYFO-KRWDZBQOSA-N 396.270 4.966 0 40 GJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(F)cc1Cl 20836404 LSXCTVDGHQCRAE-UHFFFAOYSA-N 379.869 4.875 0 40 GJAB Cc1[nH]c2ccc(C(=O)Nc3nc(CN4CCC[C@H](C)C4)cs3)cc2c1C 22191899 GTMHPEJITFCIBW-ZDUSSCGKSA-N 382.533 4.725 0 40 GJAB O=C(Cc1cn2ccccc2n1)Nc1cc(Cl)ccc1Oc1ccccc1 24444111 ZEQPJBOQVVMUNA-UHFFFAOYSA-N 377.831 4.961 0 40 GJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 25711584 NBRKEUABALNHEH-BLGFXRMMSA-N 386.879 4.564 0 40 GJAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccccc1CCc1ccccc1 26039943 GYCZRWNBVVYSQG-UHFFFAOYSA-N 398.506 4.750 0 40 GJAB CCOC(=O)c1c(CSc2ncc3ccccn23)nc2ccccc2c1C 30764991 XYEWCUVPMIEHRU-UHFFFAOYSA-N 377.469 4.660 0 40 GJAB CCc1ccc(OC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 32593694 ISKFJHDZBCZUMS-UHFFFAOYSA-N 390.844 4.547 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CC1CCCCC1 32966551 LMIVJFALDJBECT-UHFFFAOYSA-N 390.833 4.726 0 40 GJAB Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)oc1C 40155189 UAVAOILBUYTNLC-UHFFFAOYSA-N 396.390 4.778 0 40 GJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN([C@H]1CCCc2ccccc21)CO3 57122031 YPDPONXPYQDVCG-NRFANRHFSA-N 375.468 4.893 0 40 GJAB CCCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC 65002593 UUAMTOIVRVXSBN-UHFFFAOYSA-N 384.501 4.718 0 40 GJAB CCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1 67293202 ALWAQLZCBKONQH-BZZOAKBMSA-N 385.423 4.581 0 40 GJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(Br)nc1 72211584 AQJJNTJNKABUME-INIZCTEOSA-N 375.266 4.708 0 40 GJAB O=C(OCc1cccc(Cl)c1)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 79438705 PBVXAIKUVNEOID-KRWDZBQOSA-N 378.299 4.949 0 40 GJAB C[C@@H](CCc1ccco1)Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 84638203 PKBRMXRALHEBCM-LBPRGKRZSA-N 378.259 4.566 0 40 GJAB O=C(Nc1ccc(OC(F)F)cc1)N1CC[C@H](Oc2cccc(Cl)c2)C1 89774663 LMILDVCUELQZGB-INIZCTEOSA-N 382.794 4.627 0 40 GJAB CCCCOc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 98086755 NNCBAAAOPYNHPP-UHFFFAOYSA-N 385.504 4.564 0 40 GJAB CCOc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)c(C)cc1OC 100727356 SMDFUIRWMAZQNF-NHCUHLMSSA-N 399.506 4.556 0 40 GJAB COc1cc(OC)c(OC)cc1C[C@@H]1C(=O)N(c2ccccc2)c2ccccc21 101014924 CRMSBZSUTVEIEX-IBGZPJMESA-N 389.451 4.717 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccccc1C(C)C 219301052 VEWOTKMAMHPIES-OAHLLOKOSA-N 399.516 4.738 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccccc1F 223026466 VNRRMPFRLZRCJG-LJQANCHMSA-N 395.927 4.995 0 40 GJAB Cc1cccc(OCCNC(=O)CSCc2c(Cl)cccc2Cl)c1 223443071 LZRFNRLSMLRUNO-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 223903131 AOSBLCIKZADGRL-KRWDZBQOSA-N 384.951 4.992 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 224215305 YDRFMRUJJRBWJA-UHFFFAOYSA-N 381.856 4.528 0 40 GJAB O=C(Cc1cccc(Cl)c1)Nc1nnc(SCc2ccccc2)s1 224889418 KNBBXTWRLYXXMK-UHFFFAOYSA-N 375.906 4.665 0 40 GJAB COCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 226475124 PTUWZIHJUNFZQP-GILFWBMKSA-N 390.527 4.749 0 40 GJAB CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(Cl)cc1 409123170 FOZSVJGPDMEOQL-UHFFFAOYSA-N 382.685 4.991 0 40 GJAB C[C@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccc(F)c2ccccc12 561629173 MNJFCJUWTWAESA-KRWDZBQOSA-N 387.458 4.975 0 40 GJAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)c1ccccc1F)C2 643578343 SWZMFDHVIMOPGS-UXHICEINSA-N 395.522 4.525 0 40 GJAB Cc1ccc(CC(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)cc1C 2037978345 QZELWOGMQNWRIF-OFNKIYASSA-N 394.534 4.891 0 40 GJAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 651287 UNMRCZCCVFTIQH-UHFFFAOYSA-N 384.328 4.637 0 40 GJAB Cc1ccc(N2CC(=O)Nc3c(oc4nc(-c5ccccc5)cc(C)c34)C2=O)cc1 1036582 RAYMDIXXMQAZOT-UHFFFAOYSA-N 397.434 4.711 0 40 GJAB COc1ccc(NC(=O)/C(Cl)=C(/Cl)SCc2ccc(C)cc2)cn1 1383571 LWUWBWXVYLIXGQ-FOCLMDBBSA-N 383.300 4.917 0 40 GJAB O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccc(OCc3ccccc3)cc12 1509215 DWNQRWHWCUVEOV-UHFFFAOYSA-N 396.446 4.586 0 40 GJAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc2cc(C)c3ccccc3n12 1924431 GWHPRPUYBPIPGJ-HNNXBMFYSA-N 376.485 4.619 0 40 GJAB Cc1cccc(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)c1 2092501 MMUCCQFFHLXQKD-UHFFFAOYSA-N 385.419 4.786 0 40 GJAB biogenic Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 2238529 GPQCYZUYWCDEGL-HSZRJFAPSA-N 395.458 4.889 0 40 GJAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 2246893 QUIGEOYMAQFVPO-NRFANRHFSA-N 393.512 4.743 0 40 GJAB CC(C)Sc1nc(NC[C@H]2CCCO2)c2c3c(sc2n1)COC(C)(C)C3 2439607 PMVQOBVHPJNUGO-GFCCVEGCSA-N 393.578 4.634 0 40 GJAB C[C@H]1CN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C[C@H](C)O1 3177299 SBDVFZIHJIAPTG-KBPBESRZSA-N 392.471 4.994 0 40 GJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(F)c(F)c3)ccc21 3313224 OILHRDVRVCEICQ-UHFFFAOYSA-N 386.423 4.893 0 40 GJAB O=C(c1ccccc1)c1ccc(OCC(=O)c2ccccc2Br)cc1 3329970 ZHOSYRCJELVNMD-UHFFFAOYSA-N 395.252 4.942 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)o2)c1 4926574 CPKPXGPKTUJTSR-UHFFFAOYSA-N 377.828 4.568 0 40 GJAB CC(C)(C)C1=NN(c2nc(-c3ccc(F)cc3)cs2)[C@@](O)(C(F)(F)F)C1 5243116 FGGRHJFBJSJKCM-INIZCTEOSA-N 387.402 4.812 0 40 GJAB CCCCCOC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc12 5249616 IYPSHDIBHJFEEH-UHFFFAOYSA-N 392.434 4.642 0 40 GJAB O=C(CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O)Nc1ccc(Cl)cc1 6060433 NQJZZWNVXJITGS-VDHUBAETSA-N 398.871 4.571 0 40 GJAB COc1ccc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 6219182 XXSWWYUQZLFOFY-UHFFFAOYSA-N 390.464 4.989 0 40 GJAB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 6478723 YTDCOHWMSSKXDG-DEDYPNTBSA-N 395.480 4.805 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1cc(Cl)ccc1Cl 6552666 RATYJLCMMPBAFG-UHFFFAOYSA-N 376.239 4.833 0 40 GJAB Cc1cc2sc(NC(=S)NC(=O)c3ccccc3C)nc2cc1Cl 6861006 CNYKHOXPAQGSPO-UHFFFAOYSA-N 375.906 4.693 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(F)cc1Cl 6986973 YWXIHYUHCAYDNE-LLVKDONJSA-N 378.856 4.687 0 40 GJAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 7214278 AZJYEIZEQMXZSM-OAQYLSRUSA-N 390.508 4.587 0 40 GJAB Cc1ccc(OCCSc2nnc(COc3ccc(Cl)cc3)n2C)cc1 7236208 KAIYTQMLOBRMRH-UHFFFAOYSA-N 389.908 4.527 0 40 GJAB CC(C)[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc2c(c1)OCCCO2 7986994 IWBYEZQDNICGET-JOCHJYFZSA-N 376.456 4.523 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@@H]1CCSc2ccccc21 7987963 SXMVDLCNTVCKAJ-OAQYLSRUSA-N 391.540 4.775 0 40 GJAB COc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1C 9380354 JSWKHWIXUPYVGA-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(C2CC2)n1C1CC1 9954747 ZSDJWNUGMKVAQF-UHFFFAOYSA-N 385.924 4.930 0 40 GJAB Cc1nc(-c2ccc([C@H](C)NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cs1 10109473 FHOMUKPODCQVGO-HNNXBMFYSA-N 386.542 4.775 0 40 GJAB Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3)c2c1 10272823 WTZWUVVJGHEQMF-UHFFFAOYSA-N 397.478 4.561 0 40 GJAB COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)C2CCCC2)CC1 11814319 FDKJMGPMZRHVMP-UHFFFAOYSA-N 386.580 4.582 0 40 GJAB Cc1ccc(N2C[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1 12416177 YKCCLIHUZFWERQ-CQSZACIVSA-N 387.361 4.584 0 40 GJAB O=C(CCCc1nc2ccccc2s1)Nc1nc(-c2cccnc2)cs1 12515672 OLDPCFBASAQZRU-UHFFFAOYSA-N 380.498 4.776 0 40 GJAB CCOc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)[nH]c2c1 12588362 HKMCIFBJUXWWRY-UHFFFAOYSA-N 396.299 4.999 0 40 GJAB O=C(Cn1nnc2ccccc21)Nc1ccc(Oc2ccccc2Cl)cc1 12778223 AOJNASKQNVZFSX-UHFFFAOYSA-N 378.819 4.516 0 40 GJAB C[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccc2ccccc12 12782960 QZLLALGWMDJYLB-UWJYYQICSA-N 375.468 4.889 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1OC(F)F 12827141 NRLVYCKWTFWCPF-UHFFFAOYSA-N 380.441 4.711 0 40 GJAB CC(=O)c1ccc(OCC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)cc1 12976527 UZQOWYHKVKICEA-QFIPXVFZSA-N 379.481 4.544 0 40 GJAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1CCC(C(C)(C)C)CC1 13021865 ZUXLTROZSQMYHD-UHFFFAOYSA-N 380.479 4.604 0 40 GJAB CCOc1ccc2cc(CNc3ccc(N4CCCCC4)cc3)c(=O)n(C)c2c1 13564217 NHNKDLMBCGDGFG-UHFFFAOYSA-N 391.515 4.540 0 40 GJAB CC(C)[C@H]1C[C@@](CCNC2CCN(C)CC2)(Cc2ccccc2Cl)CCO1 13569820 JIHOBMMLMZGXQJ-DHIUTWEWSA-N 393.015 4.778 0 40 GJAB CCc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 13590852 ASXBIRAHFCIYDM-ULBZPVTCSA-N 379.459 4.646 0 40 GJAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2ccccc2)cc1 17079783 PZJIZYFECWIGMR-UHFFFAOYSA-N 390.552 4.783 0 40 GJAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(O)cc1 18024596 CYSQSVAGOLJPOX-UEQSERJNSA-N 395.458 4.635 0 40 GJAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)noc2n1 19568990 WCPRNWUBARTIHG-CQSZACIVSA-N 393.409 4.612 0 40 GJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 20137688 OUGDXLURLJPQKW-UHFFFAOYSA-N 379.456 4.997 0 40 GJAB CCCc1noc(CSc2nnc(-c3cccs3)n2-c2ccccc2)n1 24973528 DILSJZDQKNGMEP-UHFFFAOYSA-N 383.502 4.624 0 40 GJAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccc(Br)cc2F)o1 28239619 YJPRKLJECRDCNH-UHFFFAOYSA-N 393.212 4.629 0 40 GJAB Cc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c2cccs2)cc1 32795342 YVKIOXOUFYJENN-YCRPNKLZSA-N 394.496 4.935 0 40 GJAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](CCc3ccccc3)[C@H]1[C@H]2C 38545660 FCPKYEAPHJRRQX-IBMWBZEQSA-N 385.548 4.987 0 40 GJAB biogenic COCc1cccc(C(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)c1 40121427 PZMWXTDQSGVJHE-MRXNPFEDSA-N 383.488 4.654 0 40 GJAB COc1ccc([C@@H](C)NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1F 44031542 GQEBLECRILGWRN-CQSZACIVSA-N 387.455 4.702 0 40 GJAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 44844870 WYRYPKGDEKBYSB-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB C[C@@H](NC(=O)NCc1cccc(CN2CCCC2)c1)c1ccc(F)c(Cl)c1 58167151 ADCRHOKKIFCEQP-OAHLLOKOSA-N 389.902 4.635 0 40 GJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@H](C)C(C)(C)C 58167282 ZTLWWYNKFRPBOG-GFCCVEGCSA-N 376.419 4.629 0 40 GJAB O=C(Nc1ccc2cc[nH]c2c1)c1cc(O)c(OCc2cccc(Cl)c2)cn1 61719272 OMGRXZJVVQFEPA-UHFFFAOYSA-N 393.830 4.753 0 40 GJAB Cc1noc2ncc(C(=O)N(C3CC3)[C@H](C)c3cccc(C(F)(F)F)c3)cc12 65565264 SZKPNFXZEYKQGL-GFCCVEGCSA-N 389.377 4.916 0 40 GJAB CN(C)CC[C@H](OC(=O)CCCc1nc2ccccc2s1)c1cccs1 72310684 ASNMGFSSBCZGMI-INIZCTEOSA-N 388.558 4.917 0 40 GJAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC1CCSCC1 84064624 NASYCCOLVPLTQR-UHFFFAOYSA-N 386.464 4.763 0 40 GJAB CC[C@H](C)c1csc(N(C)S(=O)(=O)c2ccccc2C(F)(F)F)n1 84726932 KPLRNPJJOVTAET-JTQLQIEISA-N 378.441 4.501 0 40 GJAB CC(C)Oc1ccc(CNC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 96013063 GPCAFWDJRDAESE-UHFFFAOYSA-N 387.789 4.863 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718496 INACYRPXKAMGJT-NSHDSACASA-N 397.689 4.947 0 40 GJAB Cc1nc(-n2cccc2)sc1C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 207960134 PVFURVXNJVNXQC-QGZVFWFLSA-N 383.492 4.791 0 40 GJAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCS[C@H](c2ccccc2F)CC1 219080831 NPMAFAWKYCOIOZ-NRFANRHFSA-N 395.503 4.547 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219332157 NZQYMUIHURXIRH-WOJBJXKFSA-N 385.504 4.746 0 40 GJAB Cc1ccc(OCCNC(=O)CCSc2ccc(Cl)cc2)cc1Cl 224120100 AXNXAWXOOSCSQS-UHFFFAOYSA-N 384.328 4.979 0 40 GJAB CCCCOCc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC 224729429 GUWWMUFLMRKIED-UHFFFAOYSA-N 384.476 4.613 0 40 GJAB Cc1nc(Cc2ccccc2)ncc1C(=O)NC(c1ccccc1)c1ccccc1 225795468 CQNSEQSNNATQAM-UHFFFAOYSA-N 393.490 4.895 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)OC(C)(C)C)[C@](O)(C(F)(F)F)[C@H]2C1 409362051 RSQHNRCEXYEWSP-BWACUDIHSA-N 378.435 4.697 0 40 GJAB COc1ccc2cc(NC(=O)C[C@H](c3ccsc3)n3cccc3)cnc2c1 524732313 KBCMTQBTVVGGJO-HXUWFJFHSA-N 377.469 4.725 0 40 GJAB COc1ccc(Nc2nc(C(=O)N(C)[C@@H]3CCc4ccccc43)cs2)cc1 525372368 IHNSEESJACLWDT-LJQANCHMSA-N 379.485 4.655 0 40 GJAB Cc1ccc(-c2cc(C(=O)NCc3noc4ccccc34)c3c(C)noc3n2)cc1 565989139 JBLZREZXYDEUGG-UHFFFAOYSA-N 398.422 4.578 0 40 GJAB O=C(Nc1nc(-c2ccccc2)no1)N[C@@H](c1ccccc1F)C1CCCC1 1203033065 XJLWJUOTPNKUKC-GOSISDBHSA-N 380.423 4.929 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CC[C@@](C)(c4cccc(F)c4)C3)n[nH]2)cc1C 1640879047 MKTIBZCHFVNYGN-HSZRJFAPSA-N 377.463 4.636 0 40 GJAB Cc1cc(C)c2cc(CN(C(=O)NC3CCCCC3)C3CCCC3)c(=O)[nH]c2c1 880545 MOJIWAWCIKUPOK-UHFFFAOYSA-N 395.547 4.932 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc(Cl)cc2)cc1Cl 938186 IUPMJTLHBOERTQ-PPOCWRSBSA-N 378.255 4.885 0 40 GJAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4C)cc3n2)cc1 1267335 QNNWYGOPBXLMPD-UHFFFAOYSA-N 386.455 4.607 0 40 GJAB Cc1nc(SCC(=O)N2c3ccccc3C[C@@H]2C)c2c(C)c(C)sc2n1 1340327 VAOUJWOMKMRDCE-NSHDSACASA-N 383.542 4.686 0 40 GJAB CCCOc1c(Cl)cc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC 2092968 PXGOPFWGOWGIBZ-LCYFTJDESA-N 377.849 4.543 0 40 GJAB CCOCCOC(=O)N[C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 2193175 ACDUCLYLJDPXGT-INIZCTEOSA-N 377.893 4.851 0 40 GJAB CCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)c(C)c1 2407641 MCMPSIPMALBADF-UHFFFAOYSA-N 398.532 4.650 0 40 GJAB O=C(Cc1ccccc1F)Nc1nnc(SCc2ccc(Cl)cc2)s1 3336753 QJDQSWYZPBIBKM-UHFFFAOYSA-N 393.896 4.804 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2ncsc2c1 3398523 PRPBJZYEHWCOQL-UHFFFAOYSA-N 389.484 4.534 0 40 GJAB O=C(CSc1nnc(Nc2ccccc2)s1)N[C@@H]1CCCc2ccccc21 3530645 BRFSOJRPFPRLGQ-QGZVFWFLSA-N 396.541 4.568 0 40 GJAB COc1ccc(Br)c(C(=O)Nc2ccc(C)cc2Br)c1 3603669 GLKOKXPSLPZDEW-UHFFFAOYSA-N 399.082 4.781 0 40 GJAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC5(CC[C@]4(C)[C@@H]3CC[C@]12C)OCCO5 3843872 GSSIBIORSPCRIO-HKHBUPFLSA-N 376.537 4.704 0 40 GJAB COc1ccccc1[C@@]1(CCN(Cc2ccco2)C(C)=O)CCO[C@H](C(C)C)C1 4043681 KPOYUKJSTNRRRV-ZEQRLZLVSA-N 399.531 4.800 0 40 GJAB biogenic CSc1ccc(CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 4308406 YILIGUHFUOGNTE-SFHVURJKSA-N 395.311 4.683 0 40 GJAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(C)c(C)c4)c3)nn12 4556478 DYFNMISQCLGDIA-UHFFFAOYSA-N 391.500 4.593 0 40 GJAB CN(C)CCN(C(=O)Cc1cccc2ccccc12)c1nc2ccccc2s1 4585289 ROHKTBXKHHGEEK-UHFFFAOYSA-N 389.524 4.587 0 40 GJAB COc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c(OC)cc1Cl 4881025 ZIYWSRLWWRQTJF-UHFFFAOYSA-N 393.226 4.918 0 40 GJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 6363809 RSPDDUSBSSGMAW-UHFFFAOYSA-N 388.895 4.664 0 40 GJAB Cc1cc2oc(C(=O)N3CCC(Cc4ccccc4)CC3)cc(=O)c2cc1C 6811398 IDHNMSFQDZEDOO-UHFFFAOYSA-N 375.468 4.505 0 40 GJAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCCCCC2)cc1 7270688 ISQRNDJBNDUVLT-FQEVSTJZSA-N 399.560 4.522 0 40 GJAB COc1ccc(CNCc2cccc(OC)c2OCc2ccc(F)cc2)cc1 7538360 CEAIEMKQMCAPIU-UHFFFAOYSA-N 381.447 4.712 0 40 GJAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(F)cc1Cl 7580393 VAGLLRLUTCUPKM-UHFFFAOYSA-N 378.856 4.775 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(C)cc2)c(OC)c1 7601398 QPBGQYCWPANJJF-UHFFFAOYSA-N 398.532 4.533 0 40 GJAB O=C(c1cncc(Br)c1)N(Cc1ccc(F)cc1)C1CCCCC1 7719216 YCBPKTRKZWXMJH-UHFFFAOYSA-N 391.284 4.958 0 40 GJAB O=C(Nc1ccc(Br)cc1Br)c1ccc(F)cc1F 8377343 GSUZCOZQRDLRLE-UHFFFAOYSA-N 391.009 4.742 0 40 GJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1c(Cl)cccc1Cl 8496548 QQOPOEWSDATMOM-UHFFFAOYSA-N 381.288 4.667 0 40 GJAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1cccc(Cl)c1 9198057 OXNBEYNMICNZHC-UHFFFAOYSA-N 379.272 4.509 0 40 GJAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)c2ccccc2)n1 9250013 JSXFRAOQHHRQEZ-UHFFFAOYSA-N 376.481 4.926 0 40 GJAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)cc1 9378105 RAQSDJPQMOZFRF-IBGZPJMESA-N 381.479 4.882 0 40 GJAB O=S(=O)(c1ccc2ccccc2c1)N1CC=C(c2c[nH]c3ccccc23)CC1 9502188 XLAQYYHQFFSURY-UHFFFAOYSA-N 388.492 4.799 0 40 GJAB Cc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1cccs1)C3 10156919 YNYXPDNUSGWLOQ-CYBMUJFWSA-N 394.887 4.727 0 40 GJAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1Cl 10943144 FAEOTNKXCXNHPX-VIFPVBQESA-N 384.238 4.530 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)s2)c1 12603836 YFZRJQUUZHMQNQ-IIAWOOMASA-N 390.578 4.623 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(OC(C)C)cc3)cc2)cs1 12620931 NFMYDQGBNFXOIZ-UHFFFAOYSA-N 380.513 4.878 0 40 GJAB O=c1[nH]c2ccccc2c2c1Nc1[nH]c(=O)c3ccccc3c1[C@H]2c1ccccc1 12810208 PCVMXKVITPIUFU-IBGZPJMESA-N 391.430 4.607 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)Cc3cccc(F)c3)c12 12884903 MPEVBOGVFDGEMB-UHFFFAOYSA-N 393.393 4.749 0 40 GJAB Cc1cccc(C)c1NC(=O)CSCCOc1cccc(Br)c1 12946789 SZLFUVXLTIEFBE-UHFFFAOYSA-N 394.334 4.817 0 40 GJAB Cc1ccc(OCCOc2cccc(/C=C3/N=C(c4ccccc4)OC3=O)c2)cc1 13896272 SXJLZOJZGSMMFG-HAVVHWLPSA-N 399.446 4.797 0 40 GJAB CCCC(=O)N1N=C(c2ccc(CC)cc2)Sc2c1nc(C)n2C(=O)CCC 16777270 UFXNEILRJNGWCQ-UHFFFAOYSA-N 398.532 4.795 0 40 GJAB Cc1cc(NC(=O)[C@H](Sc2nc3cc(Cl)ccc3[nH]2)c2ccccc2)no1 16812806 GYDQPVKCTPVQBU-QGZVFWFLSA-N 398.875 4.985 0 40 GJAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)Nc1ccccc1Cl 17191852 PIXBSCLMEPBQCS-UHFFFAOYSA-N 394.887 4.781 0 40 GJAB COc1cccc(-c2cc(C)nc(C3CCN(C(=O)C4CCCC4)CC3)c2)c1 19690632 MICFZKIBASINCI-UHFFFAOYSA-N 378.516 4.962 0 40 GJAB O=C(CCCc1cccs1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24932795 XTAGMBKJXLRCGD-HXUWFJFHSA-N 379.529 4.509 0 40 GJAB C[C@@H]1CCC2=[N+](CC1)[C@](O)(c1ccc(Cl)cc1)CN2c1ccc(Cl)cc1 27525382 UYKISXLFLZCPPW-QVKFZJNVSA-N 390.334 4.890 0 40 GJAB CC(C)c1ccccc1-n1ccnc1SCC(=O)N(C)Cc1cccs1 29901817 COVQMPGAOZHQPV-UHFFFAOYSA-N 385.558 4.808 0 40 GJAB Cc1coc2cc3o/c(=N/NC(=S)NC4CC4)cc(-c4ccccc4)c3cc12 30822719 LVYCFDFBKBIOHF-DARPEHSRSA-N 389.480 4.597 0 40 GJAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 32610176 NEGVQQGUZMIGKZ-ROUUACIJSA-N 397.425 4.557 0 40 GJAB O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1cccc(F)c1F 32610577 WOSWIGHHMLKMEF-UHFFFAOYSA-N 382.197 4.769 0 40 GJAB COc1ccc2nc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)ccc2c1 32880031 BIJMVCBYUAWLRY-UHFFFAOYSA-N 384.838 4.841 0 40 GJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1cccs1 32900590 FIZCAFOMYPEJES-INIZCTEOSA-N 378.497 4.763 0 40 GJAB CC(C)c1ccc(-n2nnnc2C2(N3CCCC3)C3CC4CC(C3)CC2C4)cc1 35170747 NUBRYJKRCVEKDU-UHFFFAOYSA-N 391.563 4.533 0 40 GJAB S=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CC[C@H](C1)N2Cc1cccs1 35310745 ZKOYCPNDEQERFO-ALOPSCKCSA-N 391.993 4.884 0 40 GJAB COc1ccc(NC(=O)Nc2nc3ccc(SC)cc3s2)cc1OC 38671456 BFQBDAPGSXWCGR-UHFFFAOYSA-N 375.475 4.679 0 40 GJAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(Cl)cc2cccnc12 40156723 DDAWTQUPVCYHIC-SFHVURJKSA-N 382.847 4.698 0 40 GJAB Fc1ccc(NC2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)cc1 40158239 YNLVFSBOSTZABD-UHFFFAOYSA-N 382.508 4.790 0 40 GJAB COc1ccc(-c2nc(N)cc(Nc3cc(Cl)cc(Cl)c3)n2)cc1OC 49468175 MBMAIBYQGWLJBJ-UHFFFAOYSA-N 391.258 4.793 0 40 GJAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 59743536 NBMIUIVVLSVUKR-GFCCVEGCSA-N 397.418 4.920 0 40 GJAB CC(C)Oc1ccccc1COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl 60682252 URLAZRAVSSGVOP-UHFFFAOYSA-N 389.666 4.768 0 40 GJAB O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccccc2Cl)c[nH]1 72288652 RMZAGEMCSYZIJY-IBGZPJMESA-N 399.853 4.612 0 40 GJAB Cc1ccc(C)c(OCC(=O)Nc2ccccc2N2CCc3sccc3C2)c1 84146268 RAHYBIKLEVYKQL-UHFFFAOYSA-N 392.524 4.945 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 96589855 GPDJONMNHYHANA-JSGCOSHPSA-N 377.271 4.542 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222713530 SDFORLPZKVLWCW-YJYMSZOUSA-N 391.920 4.859 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 223783037 NHAKAZYJIZVKOV-GOSISDBHSA-N 377.484 4.926 0 40 GJAB CCC1(CC)C[C@@H](NS(=O)(=O)Cc2ccccc2Cl)c2ccccc2O1 224005652 BQKMRYAFDRAUKX-GOSISDBHSA-N 393.936 4.842 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(C)cc1C 224461051 HYKIYYXKEKPUGW-JOCHJYFZSA-N 377.484 4.809 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1Cl 224947544 NKRJYFZBPYOHDB-RBUKOAKNSA-N 399.903 4.822 0 40 GJAB CCOC(=O)c1cc(NC(=S)NCCSc2ccccc2)ccc1Cl 225285158 XDDWHFZZZVFCCB-UHFFFAOYSA-N 394.949 4.595 0 40 GJAB CC[C@H](CNC(=S)Nc1cc(C(=O)OC)ccc1Cl)Cc1ccccc1 225632185 DONBYVNTOQGYBO-AWEZNQCLSA-N 390.936 4.682 0 40 GJAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C(=O)OC 225762166 SKWHFYHSGJDFMP-UHFFFAOYSA-N 399.462 4.852 0 40 GJAB CCN(CC)c1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c(C)c1 408623460 ULEGZKBOXDPATG-UHFFFAOYSA-N 384.373 4.659 0 40 GJAB Cc1cc(NC(=S)NC(=O)C(C)(C)C)ccc1-c1cc2ccccc2oc1=O 408628981 YXZDLRJWGCYCGZ-UHFFFAOYSA-N 394.496 4.628 0 40 GJAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(OC)c1C 409051072 IENDHYNBKSAROG-WQRHYEAKSA-N 383.469 4.557 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)cc1C 409156391 NPZQFRNRKLCMJC-AVSIYSEJSA-N 392.480 4.535 0 40 GJAB C[C@@H](O)C[C@H]1CCCCN1C(=O)c1ccc(-c2nc3ccccc3s2)s1 548397497 IEWDTVKZWGIGCB-ZIAGYGMSSA-N 386.542 4.790 0 40 GJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 658130 MOWWRHVSTOOEOG-HNNXBMFYSA-N 386.542 4.657 0 40 GJAB CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 823519 ISMYAFNGYSXEIB-SFHVURJKSA-N 376.884 4.624 0 40 GJAB c1ccc(N(c2ccccc2)c2nc(N3CCCCC3)nc(-n3ccnc3)n2)cc1 1079324 FWXXDQCPDAGRPS-UHFFFAOYSA-N 397.486 4.517 0 40 GJAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3)C[C@H]21 1322808 CBDXQNJHOXWFAA-AUSIDOKSSA-N 378.472 4.524 0 40 GJAB biogenic COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1ccc(C)cc1 2084708 XTWXOXHMFGHROJ-STZFKDTASA-N 399.446 4.927 0 40 GJAB CCOc1ccc([C@H](NC(=O)/C=C/c2ccco2)c2ccc(OC)cc2)cc1 2308759 LXGXNDDXJHNRIE-WOOPDLCSSA-N 377.440 4.606 0 40 GJAB CCOc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2N)c1 2384975 PZMKRVCVNWVQPV-UHFFFAOYSA-N 395.315 4.657 0 40 GJAB CCCCNC(=S)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O 4132581 BUGFRDRKVQKJPV-UHFFFAOYSA-N 393.556 4.513 0 40 GJAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 4477542 NSDDZZJDZQZEGK-NRFANRHFSA-N 382.822 4.600 0 40 GJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3C)c3ccccn23)cc1 4585205 YGLLPIFXADYFPS-UHFFFAOYSA-N 383.451 4.622 0 40 GJAB CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 6144997 HTNKWCIYEDMTQR-KRWDZBQOSA-N 394.544 4.698 0 40 GJAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(CC)cc1 6325032 BLEXABFLNLLINO-LPYMAVHISA-N 398.304 4.556 0 40 GJAB Cc1c(Cl)cnc(NC(=O)COC(=O)/C=C/c2cccc(Cl)c2)c1Cl 6455982 JIWDYAVNKHKGPU-AATRIKPKSA-N 399.661 4.545 0 40 GJAB O=C(NC1CCC(O)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6865318 GYGCKIIQBPCYQS-UHFFFAOYSA-N 380.875 4.589 0 40 GJAB O=S(=O)(Nc1ccc2oc3ccccc3c2c1)c1ccc2c(c1)OCCCO2 7056013 VNHZPSWZSRFCKQ-UHFFFAOYSA-N 395.436 4.548 0 40 GJAB O=C(/C=C/c1cccs1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 7596609 DGPWQIYNBNKUHP-MDZDMXLPSA-N 385.876 4.656 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1cccc(Cl)c1 8041399 SPXNKIFGCQIHIM-LJQANCHMSA-N 377.937 4.855 0 40 GJAB Cc1cc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)c(C)n1CCc1ccccc1 8073197 PQCYWPUIYDOPIZ-FQEVSTJZSA-N 395.528 4.589 0 40 GJAB c1csc(-c2nnc(SCc3ccc(-n4cccn4)cc3)n2C2CC2)c1 8133934 RERGZRMYCQQLAV-UHFFFAOYSA-N 379.514 4.820 0 40 GJAB CC(=O)c1cccc(OCC(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 8325598 VJRWLMIFADGHIS-NRFANRHFSA-N 397.521 4.565 0 40 GJAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1OC 8404480 KMSDBPUCBYUAHK-JTQLQIEISA-N 384.259 4.510 0 40 GJAB COc1ccc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCCC3)n2)cc1 10213640 UTINLLBKYJFDLL-UHFFFAOYSA-N 390.491 4.584 0 40 GJAB Cc1ccc(-c2cc(-n3cnc4c(-c5ccc(C)cc5)nsc4c3=O)[nH]n2)cc1 12116263 YXECAVJSADNDRA-UHFFFAOYSA-N 399.479 4.516 0 40 GJAB Cn1ncc(Cl)c1C(=O)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 12185259 NGLXCHWDXLWUEY-AWEZNQCLSA-N 390.896 4.548 0 40 GJAB CC[C@H](C)c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1 12543098 UUWDPHRQLIOEIQ-INIZCTEOSA-N 395.528 4.554 0 40 GJAB COC(=O)c1occc1CSc1nnc(Nc2cccc(C)c2C)s1 12639044 ZNJNECHCFFRDJY-UHFFFAOYSA-N 375.475 4.570 0 40 GJAB CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cccs3)C[C@@H]21 13036506 FMVNODGSQFGOKT-LAUBAEHRSA-N 377.469 4.784 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1 13695377 XSWHKUOWYPMHIF-UHFFFAOYSA-N 390.439 4.522 0 40 GJAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1cccc(C(F)(F)F)c1 14635273 PZBBIETZCUMENU-LBPRGKRZSA-N 391.418 4.644 0 40 GJAB CC1(C)C2=NC(=[N+]3CCCCC3)SC2=Cc2sc(N3CCCCC3)nc21 16382763 TXGOYKMXKUEGJO-UHFFFAOYSA-N 387.598 4.506 0 40 GJAB CCn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)on2)c(C)n1 19524555 PWBKIDWPADOXIX-QFIPXVFZSA-N 394.519 4.992 0 40 GJAB Cc1c(C)n(-c2ccccc2Cl)c2ncn3nc(-c4ccccc4O)nc3c12 21801784 HULHEBLQMGNFBV-UHFFFAOYSA-N 389.846 4.711 0 40 GJAB Cc1cc(C)c2nc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)sc2c1 23053342 SSCUFFKTOCFGGJ-UHFFFAOYSA-N 383.498 4.600 0 40 GJAB CN(Cc1ccc(Cl)s1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S 23841079 JKXLJNBVYPSYNS-UHFFFAOYSA-N 391.953 4.615 0 40 GJAB CC(C)(C)c1ccc(O)c(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c1 24583904 DJXIZOCEPQXRAX-UHFFFAOYSA-N 385.464 4.929 0 40 GJAB COc1ccc2cc(C(=O)N[C@H]3CCSc4ccc(F)cc43)c(C)nc2c1 24715423 BDJKJKAQVBTXDA-SFHVURJKSA-N 382.460 4.658 0 40 GJAB O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1ccccc1Cl 28228965 GFOLAVVZNLEXON-UHFFFAOYSA-N 380.206 4.618 0 40 GJAB CCn1c(=O)c2ccccc2n2c(CSc3ccc(C(C)(C)C)cc3)nnc12 29423057 AVGNMKMPUSFGDO-UHFFFAOYSA-N 392.528 4.654 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32094272 OPDKHAFNTKKRIC-MRXNPFEDSA-N 384.798 4.514 0 40 GJAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1ccc(C(F)(F)F)cc1 32609730 UWNXRWJJHXJAQE-UHFFFAOYSA-N 391.368 4.958 0 40 GJAB Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ccncc3)ccc2n1-c1ccccc1 32907456 SJRJZNDFCZBQKC-JOCHJYFZSA-N 382.467 4.706 0 40 GJAB Cc1cc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)ccc1N1CCCC1=O 34797449 UOKJHQZQACXNNY-OZOXKJRCSA-N 386.536 4.538 0 40 GJAB Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2Cl)C3)cc1 35290323 HZPRGEINJCDXIX-IHWFROFDSA-N 382.935 4.964 0 40 GJAB CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC[C@H](C)C3)c(O)n2n1 36104702 SRUCLAWPDCBJCA-BLLLJJGKSA-N 390.940 4.534 0 40 GJAB COc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O 36635954 AUEHXPLGVMEBOR-OAQYLSRUSA-N 391.398 4.541 0 40 GJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(-c2nc(C3CC3)no2)c1 40153012 RWMHGMAJDCFJTL-LBPRGKRZSA-N 383.835 4.673 0 40 GJAB CCCC(=O)Nc1ccc(CNCc2ccc(F)c(Br)c2)cc1 47719637 WEUYAKAVYXHUDN-UHFFFAOYSA-N 379.273 4.617 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1nc2ccccc2n1C(F)F 48300516 OIFONJVFCFTCKC-UHFFFAOYSA-N 396.397 4.667 0 40 GJAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)NC3CCCCC3)n2)cc1 49734282 DQVHLKMMPREVLE-UHFFFAOYSA-N 391.471 4.540 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCC[C@@H]1C1CCCC1 56602798 HQJRYPWYXWSEOQ-HXUWFJFHSA-N 390.549 4.589 0 40 GJAB COc1cccc2cc([C@H](C)NC(=O)c3ccn(-c4cccc(Cl)c4)n3)oc12 58393419 RRRCFFYLYGEHGX-ZDUSSCGKSA-N 395.846 4.772 0 40 GJAB Cc1cccc(NC(=O)NC(C)C)c1NC(=O)c1cccc(C(F)(F)F)c1 66089506 GVHQRYNEINNRMM-UHFFFAOYSA-N 379.382 4.796 0 40 GJAB CSc1ccccc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 69514569 XHJKKEWPFVJLQV-SNVBAGLBSA-N 376.532 4.591 0 40 GJAB Cc1ccccc1Cc1nc2ccccc2n1C[C@H](O)COc1ccccc1C 82086471 XKZPYYVSYFEYER-NRFANRHFSA-N 386.495 4.684 0 40 GJAB Cc1nc(-c2ccccc2F)sc1CNC(=O)NCCCc1ccccc1 90593000 KBOJCVZOFJLIKI-UHFFFAOYSA-N 383.492 4.690 0 40 GJAB CSc1ccccc1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607554 BMWIATTVFPWOAW-UHFFFAOYSA-N 396.434 4.506 0 40 GJAB Cc1c(C(=O)O)sc2nc(/C(=C/c3ccsc3)c3ccccc3)[nH]c(=O)c12 96920066 CZBACBCLESASCP-NTEUORMPSA-N 394.477 4.642 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(OC(C)C)c1 113970979 QHCQKCMZWHMQNX-FQEVSTJZSA-N 375.896 4.909 0 40 GJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c1 219301435 PDNFFFSJYUVXQL-HXUWFJFHSA-N 383.532 4.915 0 40 GJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1C 224262661 OAZCTWFRLYUPPS-RTWAWAEBSA-N 376.529 4.522 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)CCc2ccc(Cl)cc2Cl)cc1 225373766 ATBKHNAPXVSTCE-UHFFFAOYSA-N 388.298 4.737 0 40 GJAB Cc1ccc([C@@H](NC(=S)Nc2ccc3c(c2)OCO3)c2ccccc2)cc1 225509254 UUCWRUASQRGKJK-NRFANRHFSA-N 376.481 4.800 0 40 GJAB Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c(Br)c1 227157481 CYTGYXJRIGCBIF-UHFFFAOYSA-N 375.197 4.683 0 40 GJAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C[C@H](C)c4ccccc4)C3)cc2n1 247860038 ZPDKWPRAMQISSF-YOEHRIQHSA-N 388.437 4.650 0 40 GJAB CCOC(=O)[C@H]1C[C@@H]2[C@@H](O[C@@H]1c1ccccc1)c1ccc(OC)cc1OC2(C)C 257244061 IJROITXSUKLNNE-PSBKLILYSA-N 396.483 4.864 0 40 GJAB COc1ccc(Br)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408559177 XTXNIAQFBXIWRR-MRXNPFEDSA-N 398.709 4.890 0 40 GJAB CCCCOc1ccc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 408609816 OWWHEJWSKNROEL-QHCPKHFHSA-N 392.543 4.528 0 40 GJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]21)c1ccccc1 409370830 DTKWDYDQAMGVCI-IMAQQZIHSA-N 375.855 4.735 0 40 GJAB O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCO2 590582732 XDKGZMDYJVCQFT-FQEVSTJZSA-N 388.423 4.580 0 40 GJAB Cc1cc2c(cc1-c1ccnc3nc(-c4cccnc4)nn13)NC(C)(C)C[C@H]2C 618257533 ZFGZVJWMKPWNSH-OAHLLOKOSA-N 384.487 4.859 0 40 GJAB Cc1ccncc1CC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 622781075 FYRBMRQJUUVXTI-HOTGVXAUSA-N 399.922 4.628 0 40 GJAB Cc1ccc(-c2cc(C(=O)NOCCOc3ccccc3)c3ccccc3n2)cc1 1647915265 MDIUORPLDNWAFI-UHFFFAOYSA-N 398.462 4.951 0 40 GJAB COc1ccccc1C(=O)N[C@@H](Sc1ccccc1)C(Cl)(Cl)Cl 820639 YYJBCUQSUKNZQX-HNNXBMFYSA-N 390.719 4.914 0 40 GJAB CCOc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C)n2)cc1 948257 SQZAEDFSBSBFRK-UHFFFAOYSA-N 382.485 4.843 0 40 GJAB Cc1cccc(C)c1N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 950245 JKNFIVKUTMMGAS-UHFFFAOYSA-N 384.523 4.784 0 40 GJAB CCCc1nc2ccc(N)cc2c(=O)n1Cc1ccc(-c2cccc(OC)c2)cc1 1331513 CSUQPBCBLPTCLQ-UHFFFAOYSA-N 399.494 4.655 0 40 GJAB C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 1425922 GQLFXGMXSHVQIO-HJPURHCSSA-N 386.451 4.693 0 40 GJAB COCCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 2079775 UUVTVIFSKLOZMR-UHFFFAOYSA-N 382.891 4.938 0 40 GJAB CCOC(=O)Cc1csc(NC(=O)c2sc3ccc(F)cc3c2Cl)n1 3236071 GSUVUJMFVQNPPH-UHFFFAOYSA-N 398.868 4.508 0 40 GJAB CC(C)N(C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12)C(C)C 3398543 NAESETAMTLHYSY-UHFFFAOYSA-N 396.512 4.766 0 40 GJAB COc1ccc(-c2cc(N3CCCC3)cc3c2c(=O)n(-c2ccccc2)n3C)cc1 3843039 BXXMERSLBVKNTE-UHFFFAOYSA-N 399.494 4.605 0 40 GJAB biogenic COc1ccc(-c2ocnc2C(=O)Nc2ccccc2N2CCCCC2)cc1 4092861 BJEPTDYVBRVEKX-UHFFFAOYSA-N 377.444 4.593 0 40 GJAB aggregator O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccc(F)cc1F 4167511 OZDKZJSXWZJXOH-UHFFFAOYSA-N 397.859 4.868 0 40 GJAB O=C1c2ccccc2CC[C@@H]1Sc1nnc(-c2ccco2)c(-c2ccco2)n1 4167819 WKKOPXYCGNHURM-KRWDZBQOSA-N 389.436 4.681 0 40 GJAB COc1ccc(-c2noc(CN(C(=O)c3cccs3)C3CCCCC3)n2)cc1 4512608 CEOPYLQSEXDFRG-UHFFFAOYSA-N 397.500 4.782 0 40 GJAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 4699634 GAXLURUYDSSBFF-LJQANCHMSA-N 388.467 4.620 0 40 GJAB O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCC(Cc2ccccc2)CC1 4745046 OCVZWQBLKZFBAG-QHCPKHFHSA-N 394.534 4.519 0 40 GJAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Cl)cc1F 5089619 GXVBWRZTRLOUBY-UHFFFAOYSA-N 393.039 4.913 0 40 GJAB CCOc1ccc(-c2n[nH]cc2Oc2ccccc2Br)c(O)c1 5142167 KRKIKLQGPHVEOX-UHFFFAOYSA-N 375.222 4.736 0 40 GJAB Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)ccc1N1CCCC1=O 5440016 LPYNYAZJLRZBBM-UHFFFAOYSA-N 384.479 4.970 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@@H]1c1cccs1 7362870 OJMORDKMELMKPD-GOEBONIOSA-N 385.558 4.714 0 40 GJAB C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1ccc2c(c1)OCCO2 7734802 LCRZNXIFWDXCEI-QGZVFWFLSA-N 389.451 4.528 0 40 GJAB CCOc1ccc(NC(=O)c2ccccc2OCc2c(C)noc2C)cc1OC 7987803 LVAARJMYOUCJNP-UHFFFAOYSA-N 396.443 4.530 0 40 GJAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc(C(=O)NC2CC2)c1 8074559 CTPYHZCNEVGTAJ-UHFFFAOYSA-N 392.430 4.549 0 40 GJAB CN(CC(=O)Nc1cccc2ccccc12)Cc1ccc(Br)s1 8164997 TWUASMPQYQVJQK-UHFFFAOYSA-N 389.318 4.734 0 40 GJAB O=C(c1cc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)c[nH]1)N1CCCC1 8340819 ZYDMYQWZQBTXOR-UHFFFAOYSA-N 390.871 4.910 0 40 GJAB O=C(Nc1nnc(-c2ccco2)s1)C1c2ccccc2Oc2ccccc21 8724449 QLQOSHGVLRBBAK-UHFFFAOYSA-N 375.409 4.674 0 40 GJAB CCOc1ccc(NC(=O)[C@H](NC(=O)C2CCC(C(C)C)CC2)C(C)C)cc1 9195241 ZLTDIQCPVXSZDQ-WIXQSORDSA-N 388.552 4.627 0 40 GJAB NC(=O)[C@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 10321833 KWEXWNPCVOIFHZ-OAQYLSRUSA-N 385.492 4.858 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2cccs2)on1 12725373 BJWPMYBBUVLFFX-UHFFFAOYSA-N 399.859 4.950 0 40 GJAB O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)C1CCCC1 12814756 JNOFQKOKUPTZDJ-GOSISDBHSA-N 387.405 4.978 0 40 GJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 12982206 SSGJFHLYPPBOOR-QAPCUYQASA-N 392.952 4.757 0 40 GJAB COc1ccc(/C=C2\CCC[C@@H]3C2=NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1 13122040 GOZPBMCCEGQPIM-LJMNLMCUSA-N 392.524 4.958 0 40 GJAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccccc1Cl 13709700 HMZLLGNQYAVZGQ-CYBMUJFWSA-N 384.328 4.810 0 40 GJAB O=c1nc(SCc2ccccc2F)c2c(n1-c1ccc(Cl)cc1)CCC2 15840471 MQMHCVJIEPJEDA-UHFFFAOYSA-N 386.879 4.806 0 40 GJAB Cc1ccc(NC(=O)Cn2c(C)nc3c(sc4ccccc43)c2=O)cc1Cl 16841927 CPZMSFWVJYCPFJ-UHFFFAOYSA-N 397.887 4.520 0 40 GJAB Cc1cc(-c2nnc(SCc3ccc(F)cc3)n2C[C@H]2CCCO2)cs1 17079525 NSKNIUGPAGGFPY-QGZVFWFLSA-N 389.521 4.925 0 40 GJAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(s1)-c1ccccc1CC2 18155580 IPBRSQFPZLPGHX-UHFFFAOYSA-N 377.465 4.515 0 40 GJAB Cc1ccc(C2(C(=O)NCc3nnc(-c4ccc(C)s4)o3)CCCC2)cc1 19208494 FOMWXNOMNLVCHW-UHFFFAOYSA-N 381.501 4.543 0 40 GJAB CCn1cc(-c2cc(C(=O)Nc3nc(C(C)C)cs3)c3ccccc3n2)cn1 19716491 YZNWHKNBVDUXMS-UHFFFAOYSA-N 391.500 4.950 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1Cl 20110927 FKWXZGJHFDSIDJ-NSHDSACASA-N 382.243 4.576 0 40 GJAB O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccc(OC(F)F)cc1 24991940 CNFCZHIOADSFQK-UHFFFAOYSA-N 385.395 4.917 0 40 GJAB CCCN(Cc1ccc(C)cc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S 32932592 DRAKEULQICHZAJ-UHFFFAOYSA-N 393.560 4.989 0 40 GJAB COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 33931531 ALXMLJCQGOIBRU-ZHZULCJRSA-N 390.464 4.722 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(OC(F)F)cc1 36892718 QPFCOTZSBOBLQO-UHFFFAOYSA-N 395.768 4.827 0 40 GJAB O=C(O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 38756025 MBVGABJQGMHAJY-UHFFFAOYSA-N 386.451 4.590 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2)c1 40103919 OFADSCSAMHHYDS-FQEVSTJZSA-N 384.476 4.862 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)cn2)cc1C 40122694 AYUAZIXETPWIHB-JWTNVVGKSA-N 378.472 4.825 0 40 GJAB Cc1cc(N2CCSCC2)ccc1N[C@@H](C)C(=O)c1c[nH]c2ccccc12 51186812 BPULWOBWDGQDIJ-INIZCTEOSA-N 379.529 4.713 0 40 GJAB CC(C)[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(-c2ccncc2)no1 58226821 BBBLFLRYVVKVSO-SFHVURJKSA-N 396.516 4.589 0 40 GJAB Clc1ccc(-c2nn(-c3ccccc3)cc2CCNc2ncccn2)cc1 64115226 UVVUFUZEYCXYFK-UHFFFAOYSA-N 375.863 4.637 0 40 GJAB CCCn1cc(-c2nc(-c3ccccc3OCC)no2)c(=O)c2cc(C)ccc21 64963699 ZCOFBOXONDBJMT-UHFFFAOYSA-N 389.455 4.836 0 40 GJAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Br)c(F)c1 95067900 WZCJPAINTBXJJA-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB CCCOc1ccc(NC(=O)c2snnc2C(C)(C)C)cc1OCCC 97105663 QKMQDVIWALSQBU-UHFFFAOYSA-N 377.510 4.666 0 40 GJAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1cccc(Br)n1 97162777 TXBGQDCGBYIVLE-UHFFFAOYSA-N 393.235 4.537 0 40 GJAB CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@@H](C(C)C)C[C@@H]12 100772650 GCAXPYWXIWWHHT-HPIVIPLYSA-N 386.488 4.852 0 40 GJAB endogenous,in-man Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)sc1-c1ccc(F)cc1 102241676 UCMCLSNIBUHDCK-CYBMUJFWSA-N 394.471 4.848 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2Cl)C[C@H](c2ccccc2)C1 102603913 CKIZXYZAHWKWCE-VBKZILBWSA-N 376.847 4.997 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2cccs2)C[C@H](c2ccc(F)cc2)C1 102839075 FXIJXCKSQWEFDY-APPDUMDISA-N 382.420 4.899 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)c1 103718631 WMYGMZYXLOFOHC-LBPRGKRZSA-N 396.796 4.659 0 40 GJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 223026455 YNLHERZDXZJIMT-OAQYLSRUSA-N 394.559 4.570 0 40 GJAB Cc1cc(C)cc(CSCC(=O)NCCOc2ccc(C)c(Cl)c2)c1 224119177 WYVCTGWCLPHZMD-UHFFFAOYSA-N 377.937 4.694 0 40 GJAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1ccccc1C(C)C 224571947 BYGADAKFOWYCRI-KRWDZBQOSA-N 385.504 4.552 0 40 GJAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)s1 225635525 GPSWYPWVFVQGIC-CYBMUJFWSA-N 385.942 4.798 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225839792 UOFDOUXCIMFJSW-GOSISDBHSA-N 381.501 4.926 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(Br)cc2N)o1 226304829 IJJPMBLADSBRHV-VXGBXAGGSA-N 377.282 4.694 0 40 GJAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)c2ccncc2)CO[C@H]1c1ccc(F)cc1 257200311 ACVHHGZIOMDAEZ-FUDKSRODSA-N 382.479 4.629 0 40 GJAB O=C1/C(=C\c2ccncc2)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 408843902 STSMUJBYJAXRBK-CPNJWEJPSA-N 377.806 4.709 0 40 GJAB CCc1nc2ccccc2n1Cc1noc([C@@H]2C[C@@H]2c2c(F)cccc2F)n1 545888597 RTQLLKDYXHIWGF-QWHCGFSZSA-N 380.398 4.579 0 40 GJAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(CC1CCCCC1)CC2 2055794329 JGRJGUMFBUOYOT-UHFFFAOYSA-N 396.554 4.506 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)N[C@H](C)c4ccccc4)c(N)c3cc2C1 661945 RQKMXMOOFSCDLJ-ZIAGYGMSSA-N 379.529 4.884 0 40 GJAB O=C(NC(=S)N1CCCCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 1264341 TXHIDJGGFWELIW-UHFFFAOYSA-N 383.300 4.754 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1c(Cl)cccc1Cl 1439938 PQPZSVBJYPTSEF-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB C[C@@H](NNC(=S)N1CCC(c2ccccc2)CC1)c1ccc2ccccc2n1 1580100 HCMUXDYUCOJQDE-QGZVFWFLSA-N 390.556 4.555 0 40 GJAB Cc1ccc(N2C(=O)C[C@@]3(CC4c5ccccc5C3c3ccccc34)C2=O)cc1 2408486 OESOBPSXIRIDQX-HNHZEOAVSA-N 379.459 4.926 0 40 GJAB Cc1ccc(NC(=S)Nc2ccccc2I)c(C)c1 2649595 AGMGRXGROXZAKT-UHFFFAOYSA-N 382.270 4.717 0 40 GJAB Cc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1C 2919634 QRBZPWVQTKVAAV-MSOLQXFVSA-N 383.293 4.804 0 40 GJAB Cc1ccc(N2C(=O)c3ccc(Oc4ccc(C(=O)O)cc4)cc3C2=O)cc1C 3150502 ASIQZJVRDJELTF-UHFFFAOYSA-N 387.391 4.595 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)s2)c1 3316226 RDPPRCDIWUOYDW-CQSZACIVSA-N 396.541 4.660 0 40 GJAB Cc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2-c2c[nH]c3ccccc23)c1 3345779 YDLMLIMRQDTNKG-KRWDZBQOSA-N 390.512 4.995 0 40 GJAB O=C(CSCCO)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 3363385 UCEWUEXSUCQJEW-UHFFFAOYSA-N 376.547 4.522 0 40 GJAB COc1ccc(Nc2nnc(SCC(=O)c3ccc(Cl)cc3)s2)cc1 3500508 BUIYQYGNUAHNKD-UHFFFAOYSA-N 391.905 4.919 0 40 GJAB CCCCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1 4062233 GUCBDNZFYSGDFA-UHFFFAOYSA-N 396.541 4.584 0 40 GJAB CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 4106678 ZUXRDCIRWJNKOT-HMMYKYKNSA-N 389.480 4.784 0 40 GJAB O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(Cl)c(Cl)c1 4619655 RWAXGTBPEICICD-UHFFFAOYSA-N 379.268 4.942 0 40 GJAB Cn1ccnc1SCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 5358351 NBTYYPJUWFXTHJ-UHFFFAOYSA-N 389.933 4.956 0 40 GJAB CCCCOCCOP(OCCOCCCC)OCCOCCCC 5514190 URRFGQHFJDWCFM-UHFFFAOYSA-N 382.478 4.713 0 40 GJAB O=C(NC(=S)Nc1cccc2c(O)cccc12)C12CC3CC(CC(C3)C1)C2 5559836 JPLPPYHSMSEGQQ-UHFFFAOYSA-N 380.513 4.575 0 40 GJAB CCc1cccc(CC)c1NC(=O)COc1ccc(Br)c(C)c1 5717549 UCVPSEVOMHUZIN-UHFFFAOYSA-N 376.294 4.900 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)ccc2C)cc1 6024013 QPSNETXXXTTXCC-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCCOc1ccc(CNC(=O)c2cccc(Br)c2)cc1OCC 6204698 JTWQDQMFEXDJQU-UHFFFAOYSA-N 392.293 4.567 0 40 GJAB CCCc1cc(-c2nc(-c3cc4cccc(OC)c4oc3=O)cs2)ccn1 6719671 AVPBCCPOXDCOIE-UHFFFAOYSA-N 378.453 4.940 0 40 GJAB CCOc1cc(C[C@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC 6960490 RIRVSZSKVKSRCC-QGZVFWFLSA-N 391.876 4.558 0 40 GJAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)n1-c1nccs1 8281738 QPUXACZEKKHJRW-UHFFFAOYSA-N 396.497 4.576 0 40 GJAB COc1cccc(CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)c1OC 8428863 RNLBCHXVTKHYEW-UHFFFAOYSA-N 377.440 4.768 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)c(C)c1 8497229 QQHAAOAKGOKHOU-INIZCTEOSA-N 377.937 4.774 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 9048222 GNZXPUMZOXMWLK-CTNGQTDRSA-N 385.891 4.796 0 40 GJAB CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21 9107134 OFBHZMFVPRBDIE-UHFFFAOYSA-N 376.378 4.647 0 40 GJAB Cn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccccc1Cl 9809715 RUFSPHRMTBEIOZ-UHFFFAOYSA-N 382.876 4.592 0 40 GJAB O=C(COc1ccccc1)N(Cc1ccco1)c1nc2c(F)cccc2s1 10527762 FAVWNCSFXVYPBS-UHFFFAOYSA-N 382.416 4.641 0 40 GJAB COc1ccccc1-n1c(S[C@@H]2CCCCCC2=O)nnc1-c1cccs1 12522453 JLRIKBYNLXEYBO-QGZVFWFLSA-N 399.541 4.998 0 40 GJAB Cc1ccc2nc(CSCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cn2c1 12538814 HTRQORRNHQYAPJ-LXGFQCHUSA-N 397.588 4.597 0 40 GJAB CN(CC(=O)Nc1ccccc1SC(F)F)[C@H]1CCCc2ccccc21 16342781 PWJCZTFDNYRRRJ-KRWDZBQOSA-N 376.472 4.949 0 40 GJAB CCCC(=O)N1N=C(c2ccc(Cl)cc2)Sc2c1ncn2C(=O)CCC 16777581 PTGJTBOGCOIGMP-UHFFFAOYSA-N 390.896 4.577 0 40 GJAB Cc1noc2nc(C3CCN(C(=O)[C@H](C)c4ccccc4)CC3)cc(C(F)F)c12 19564488 QCAZXGWQLBUNNB-CYBMUJFWSA-N 399.441 4.979 0 40 GJAB Brc1ccccc1CN1CCN(Cc2cccc3ccccc23)CC1 19900149 NBLSAVGABBDBJG-UHFFFAOYSA-N 395.344 4.920 0 40 GJAB COc1ccccc1CN1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 20610285 GYOOUJPDGXYXCL-UHFFFAOYSA-N 399.446 4.821 0 40 GJAB biogenic COc1ccc(Cc2nc3c4c(C)c(C)n(-c5ccc(C)cc5)c4ncn3n2)cc1 21801204 PWSRDWZOADFOAY-UHFFFAOYSA-N 397.482 4.593 0 40 GJAB COc1ccc(OC)c(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1 21935165 DNWCDAXMXKXNPF-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB CC(C)c1ccc([C@H](CNC(=O)COc2ccc(F)cc2)N2CCCCC2)cc1 28291809 AQJGWFJJFCATOB-QHCPKHFHSA-N 398.522 4.671 0 40 GJAB Cc1occc1-c1nnc(SCc2nc(C(C)C)no2)n1-c1ccccc1 29141072 ADAITLHJAZAWJF-UHFFFAOYSA-N 381.461 4.634 0 40 GJAB O=C(Nc1nc(-c2cccnc2)cs1)c1cc(-c2cccc(Cl)c2)on1 30035355 VJUWWYOELKUHAY-UHFFFAOYSA-N 382.832 4.766 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1Cl 30854177 XARLHNKAMFWZAB-GOSISDBHSA-N 375.852 4.621 0 40 GJAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2Oc2ccc(C)cc2)c1C 31296774 ZUZBHPGJQKHXAQ-UHFFFAOYSA-N 378.428 4.771 0 40 GJAB O=C(Nc1cccc(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)c1)C1CC1 31749185 XNTWLFWOKPXUFV-UHFFFAOYSA-N 396.918 4.817 0 40 GJAB O=C(CCC1CCCC1)Nc1nn(Cc2ccccc2F)cc1Br 32609642 INPBZCDCVCZAQB-UHFFFAOYSA-N 394.288 4.742 0 40 GJAB Cc1ccc(-c2nc(CC(=O)NCCSCc3ccsc3)cs2)cc1 32778187 GAXFNPSRZWCPST-UHFFFAOYSA-N 388.583 4.772 0 40 GJAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1OC 32845938 WVRFCOGYBDPPJQ-HSZRJFAPSA-N 387.435 4.969 0 40 GJAB CCOCCCNC(=O)/C(=C/c1ccc(Br)cc1)c1cccs1 32907887 UNXCPUQAHGYZHZ-DTQAZKPQSA-N 394.334 4.594 0 40 GJAB CCOc1ccccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)CC(C)C 41076968 ZVJYXFZPXBAXGW-UHFFFAOYSA-N 393.487 4.617 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72349585 LJAJJFSTIAPRJQ-LJQANCHMSA-N 392.449 4.976 0 40 GJAB Cc1cc(O)c(-c2cc(C(=O)Nc3cc(Cl)ccc3C)[nH]n2)cc1Cl 72427510 NESSDKVKZAKDQY-UHFFFAOYSA-N 376.243 4.958 0 40 GJAB Cc1cc(C(=O)N2CCCCC[C@@H]2c2cccn2C)c(C)n1Cc1ccco1 84080236 PDFLPFJMIQYMIS-JOCHJYFZSA-N 379.504 4.842 0 40 GJAB Cc1nc(C2(NC(=O)c3ccc(-c4ccccc4F)o3)CCCCCC2)no1 84280740 LEXPMGHVJOBENW-UHFFFAOYSA-N 383.423 4.757 0 40 GJAB O=C(CNc1ccc(-c2ccccc2)cc1)Nc1cc2c(cc1Cl)OCCO2 89851172 QBJFFZZYVMCDRJ-UHFFFAOYSA-N 394.858 4.829 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(Cc4csc([C@H](C)OC)n4)CC3)c2c1 89913568 MCFVFHCHTSSZJQ-AWEZNQCLSA-N 383.517 4.630 0 40 GJAB Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)c1ccc2c(c1)COCO2 95962891 NIPPOUCSLVUMHC-UHFFFAOYSA-N 391.471 4.597 0 40 GJAB COc1cccc(NC(=O)[C@@]23CC[C@](C)(c4nc5ccccc5nc42)C3(C)C)c1 100621711 QBTSPCMQWRGXCW-DNQXCXABSA-N 387.483 4.606 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCCC2 102618081 OJPOMHMZIPDBHR-OFQRWUPVSA-N 375.534 4.959 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)C5N=N5)[C@@]4(C)CC[C@@H]32)C1 118934321 AEBXALXJAASRTA-FJHVXNPXSA-N 384.520 4.858 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219379788 XHWOCVGDPZDJOG-OALUTQOASA-N 385.504 4.746 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219614281 ZNLGPVPIJYAXRQ-ROUUACIJSA-N 391.895 4.782 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1C1CCCC1 222825323 DHLBZFQESXZCFX-LEWJYISDSA-N 382.577 4.996 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 222942946 AAYBAPBGTVDZTC-LEWJYISDSA-N 376.529 4.501 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)NC(C)(C)C 223584153 BKAODYZLUWWZAK-MRXNPFEDSA-N 387.351 4.815 0 40 GJAB Cc1ccc(OCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1Cl 224118705 SFZSHWLMWNBZIO-ZDUSSCGKSA-N 384.328 4.978 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccccc1 224363742 QPYZOVNIKCBUIE-UHFFFAOYSA-N 377.440 4.925 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225163911 GZZMOOWFVSBPST-KRWDZBQOSA-N 388.464 4.579 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1C 225341491 RBZLXYAYWKDKKP-MOPGFXCFSA-N 381.516 4.533 0 40 GJAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 225741944 RATNTGREECLFNJ-UHFFFAOYSA-N 392.584 4.823 0 40 GJAB Cc1cc(C)cc(CN2CCO[C@H](c3cn4c(-c5ccncc5)cccc4n3)C2)c1 306133110 MCLBOKYXLFSOLK-DEOSSOPVSA-N 398.510 4.587 0 40 GJAB O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 529089486 JOCDYEQGIPFJSK-MVYHEMRASA-N 388.920 4.524 0 40 GJAB COc1ccc(Nc2cccc(NC(=O)c3c(C4CCC4)cnn3C)c2)cc1 585124036 FHPMWGFHKZVHOX-UHFFFAOYSA-N 376.460 4.692 0 40 GJAB O=C(N[C@@]1(C(Cl)(Cl)Cl)Oc2ccc(Cl)cc2O1)c1ccccc1 1050516 KGICMMYHELQHQG-HNNXBMFYSA-N 393.053 4.565 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 1505616 KXTNZQLUYZKKMJ-UHFFFAOYSA-N 389.274 4.834 0 40 GJAB CC[C@@H](C)OC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 2410187 UQVNFYNETBHRLX-OAHLLOKOSA-N 388.471 4.728 0 40 GJAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccccc1CCc1ccccc1 2625824 NJSRJLUSOQYZCU-UHFFFAOYSA-N 384.435 4.879 0 40 GJAB Cn1cnnc1S[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 3221750 NWFJKIPSHQVJEC-HNNXBMFYSA-N 393.299 4.594 0 40 GJAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cccc(F)c1F 4342540 FCSGXJKHYFRMBC-UHFFFAOYSA-N 398.331 4.626 0 40 GJAB biogenic,in-vitro CCc1ccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 4685330 NIXOYFGRMWEGRE-DLBZAZTESA-N 388.302 4.876 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(C)s1)c1ccccc1 5974508 ZPUODTGFVAQYGN-FQEVSTJZSA-N 395.480 4.992 0 40 GJAB CCN(C(C)=O)c1nc(CSc2nc(-c3ccccc3)cs2)cs1 6085632 PJWAQFMQUSNCOV-UHFFFAOYSA-N 375.544 4.932 0 40 GJAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1Cl 6536161 KDVSAEBDQMIQRM-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB Cc1ccccc1-c1noc(CSc2nc(C3CC3)n(-c3ccccc3)n2)n1 6549516 DBPNLYWBUUHJRA-UHFFFAOYSA-N 389.484 4.795 0 40 GJAB CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 6570402 RAZWMFCCZYVQCI-UHFFFAOYSA-N 394.496 4.958 0 40 GJAB COc1cccc(NC(=O)[C@H](OC(=O)c2cccc(C)c2)c2ccccc2)c1 6942911 RVHUXLQTOIMVDM-OAQYLSRUSA-N 375.424 4.540 0 40 GJAB CNC(=O)c1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 7278992 DTPIKKYHVMQZJW-QFIPXVFZSA-N 383.451 4.564 0 40 GJAB COc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)CCC4)cs2)cc1OC 7466617 GPMRSVRDZKAWGT-UHFFFAOYSA-N 380.469 4.568 0 40 GJAB Cc1ccc(NC(=O)[C@H](Sc2nnc(C)n2C2CC2)c2ccccc2)cc1 7617470 QSQDXRHUKYJPCR-LJQANCHMSA-N 378.501 4.702 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC(Cc2ccccc2)CC1 8071983 ZDWAOMUIINSFSB-UHFFFAOYSA-N 387.527 4.643 0 40 GJAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C 10009795 PSXWPGLPRGTUHX-IBGZPJMESA-N 386.495 4.976 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)/C=C/c2ccco2)cc1OCCC 11915532 CGGWFNIDMKEUGR-CSKARUKUSA-N 397.431 4.559 0 40 GJAB Cn1cc(Cl)c([C@@H]2CCCCCN2C(=O)C23CC4CC(CC(C4)C2)C3)n1 12119602 CNGIWXCOJQPAKQ-CARYKQCGSA-N 375.944 4.734 0 40 GJAB Cc1cc(C(=O)N2CCC(COc3ccccn3)CC2)c2cccc(Cl)c2n1 12325815 PSWJCIJMEAHQIC-UHFFFAOYSA-N 395.890 4.523 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(Br)c1 12403281 CMICCDGJLGLTBU-UHFFFAOYSA-N 382.685 4.991 0 40 GJAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 12813136 HNLPVJWVJJXSHE-UHFFFAOYSA-N 399.899 4.592 0 40 GJAB Cc1cc(Nc2ccccc2F)n2nc(C34CC5CC(CC(C5)C3)C4)nc2n1 13364739 CGKZUSXXHNARAV-UHFFFAOYSA-N 377.467 4.783 0 40 GJAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(O)c1 13582943 MSMNYVHIMRGVNV-UEQSERJNSA-N 395.458 4.635 0 40 GJAB CC(C)c1ccc([C@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 14095377 ZIUXZLXKLQSIGH-QFIPXVFZSA-N 389.528 4.726 0 40 GJAB Cc1cc(-c2cn[nH]c2)cc(C2CCN(Cc3ccnc4ccccc34)CC2)n1 19692205 RWVAWOKSNAGSRC-UHFFFAOYSA-N 383.499 4.708 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 20458029 HQTHMSUAHQWTTJ-GOSISDBHSA-N 390.936 4.989 0 40 GJAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 20632641 INMBNSHUPLSKQH-CYBMUJFWSA-N 386.908 4.583 0 40 GJAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(Cl)c1)C3 20796370 VJZNXJQXJNCKKH-CYBMUJFWSA-N 386.908 4.583 0 40 GJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577138 LPCUFXDVTDMJHT-UHFFFAOYSA-N 385.508 4.505 0 40 GJAB C[C@@H](NC(=O)CSc1ncnc2ccsc12)c1ccc2c(c1)CCCC2 22005155 HETZSUOIUPJKEO-CYBMUJFWSA-N 383.542 4.540 0 40 GJAB Cc1ccsc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 25356284 MFHRCCUZANJNCJ-UHFFFAOYSA-N 376.525 4.604 0 40 GJAB CCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1 27989190 ROGVESGRGOWCAD-FQEVSTJZSA-N 386.561 4.884 0 40 GJAB CCOc1ccc(-c2nsc(NC(=O)COc3ccc(C(C)C)cc3)n2)cc1 28287422 LXWNPSSWELUTTI-UHFFFAOYSA-N 397.500 4.745 0 40 GJAB C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(-c2ccccc2)cc1 32748021 DMQWIWXOWSYNGQ-IBGZPJMESA-N 398.506 4.967 0 40 GJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1OC(F)F 32854804 BXTCFHQRUQYZKJ-UHFFFAOYSA-N 375.371 4.972 0 40 GJAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1c2ccccc2C[C@@H]1C 32895294 HATJQPUZBMBPED-ZDUSSCGKSA-N 382.460 4.761 0 40 GJAB O[C@@H](CSc1nnc(Nc2ccccc2F)s1)c1ccc(Cl)cc1 40050237 BQXSRKQKOZVBIY-AWEZNQCLSA-N 381.885 4.900 0 40 GJAB CCc1sc(C(=O)N(Cc2ccc3c(c2)OCCO3)CC(F)(F)F)cc1C 40155017 GOSDOOUSXAMOOV-UHFFFAOYSA-N 399.434 4.595 0 40 GJAB COc1ccc(N2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 40485789 CYSMWOJPXDOLOS-NRFANRHFSA-N 375.399 4.892 0 40 GJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)NCCC3=CCCCC3)n2)cc1 57486869 NVODVQMYUMOELX-UHFFFAOYSA-N 390.487 4.520 0 40 GJAB O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCCC2)C1 60374081 MCAPEVUGINJXSI-GOSISDBHSA-N 388.433 4.683 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3csc(Nc4cccnc4)n3)c2)cs1 62022586 BWKOWRAMJHOTMR-UHFFFAOYSA-N 393.497 4.966 0 40 GJAB C[C@@H]1CCc2nc3ccccc3c(C(=O)N3CCC[C@H](C(F)(F)F)C3)c2C1 84700135 ZIQCCJBNTPWNCN-KGLIPLIRSA-N 376.422 4.774 0 40 GJAB COc1ccc(C)c(NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)c1 95460983 XXMXORMZZPTQLH-UHFFFAOYSA-N 398.290 4.685 0 40 GJAB Cc1noc(-c2ccccc2)c1C(=O)NCc1cccc(OCC(F)(F)F)c1 96011804 GXIZUJRKGOMWMB-UHFFFAOYSA-N 390.361 4.521 0 40 GJAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc(Br)c2)c(C)c1 96137079 LOPPQFPCLJXUSH-BQYQJAHWSA-N 380.307 4.787 0 40 GJAB COC1(c2noc(-c3cc(-c4ccccc4F)nc4onc(C)c34)n2)CCCC1 97378077 ZWMQHTJOIQHPQW-UHFFFAOYSA-N 394.406 4.803 0 40 GJAB CCC/C=C/[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 97447419 LEGASQCHXAQKOE-VTJDKEBTSA-N 379.456 4.725 0 40 GJAB CCOC(=O)c1cn(Cc2cccc(Cl)c2)c2cc(Cl)c(F)cc2c1=O 199805043 QNYKSHWTKXUXII-UHFFFAOYSA-N 394.229 4.672 0 40 GJAB O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1cc2cc(F)ccc2s1 206773389 CMAGUAZQYZUDTF-OAHLLOKOSA-N 395.459 4.580 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccccc1C 222689637 VSIHRQQKNUNGGV-GCJKJVERSA-N 381.516 4.615 0 40 GJAB CCOc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2F)cc1 224255042 KHAUCNMNZVNDAC-UHFFFAOYSA-N 395.927 4.860 0 40 GJAB COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OC(C)C 225675246 OCPHIIITKZDUTC-UHFFFAOYSA-N 381.472 4.711 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCC2)ccc1O[C@@H](C)CC 225829781 GXSJTVCYNSIXFC-INIZCTEOSA-N 391.508 4.719 0 40 GJAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(Oc3ccccc3)n2)cc1 225946713 VRGSJTUMSCRUPF-UHFFFAOYSA-N 384.892 4.717 0 40 GJAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3Br)oc2c1 226271044 JTTADZRANWIFGS-UHFFFAOYSA-N 399.166 4.782 0 40 GJAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1ccccc1OC 257327318 XAXQRTBWRWYIKJ-UHFFFAOYSA-N 394.471 4.662 0 40 GJAB CCN1C(=O)S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O 409225844 MCYRBCHEMUKODA-XDHOZWIPSA-N 380.444 4.885 0 40 GJAB CCCN(C(=O)c1ccc2ncccc2c1)[C@@H]1CCCN(Cc2ccccc2)C1 505000755 JORLTJGIHHRIDB-HSZRJFAPSA-N 387.527 4.752 0 40 GJAB CC[C@@H](N[C@H](c1nc(C(C)C)no1)C1CCOCC1)c1ccc(F)cc1F 509069244 PLRCLBCMNRFAJQ-MSOLQXFVSA-N 379.451 4.680 0 40 GJAB Clc1ccc(-c2cc(CSc3nncn3CCc3ccccn3)on2)cc1 599464013 PKGBMXIXSWPRJZ-UHFFFAOYSA-N 397.891 4.517 0 40 GJAB COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccccc3)sc2C)cc1 1438308 MVBVXQAUDDRAFJ-UHFFFAOYSA-N 380.469 4.729 0 40 GJAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccccc3)nc2c1 2239126 WRYCQEZFTIOWBC-UHFFFAOYSA-N 394.887 4.805 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 2740734 KIZQPYNMLYEFPF-UHFFFAOYSA-N 375.852 4.623 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1ccn(COc2ccccc2Cl)n1 2786491 UJMSXXDJMIGEMT-UHFFFAOYSA-N 376.243 4.787 0 40 GJAB COC(=O)c1ccc(COc2ccc(/C=C3/C(=O)Nc4ccccc43)cc2)cc1 3309852 KFEFEQWIUMCJBU-KGENOOAVSA-N 385.419 4.545 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2ccccc2c1 3334459 WCKAFSOPQNCPOC-UHFFFAOYSA-N 387.266 4.857 0 40 GJAB CC(=O)O[C@@H]1C=C2CC[C@H]3[C@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 4074073 YSKYSQZEVNUXOX-BLDDEZIESA-N 386.532 4.957 0 40 GJAB biogenic COCCCN(C(=O)COc1ccc(C)cc1)c1nc(-c2ccccc2)cs1 4188841 WSBBGZSABHVPCO-UHFFFAOYSA-N 396.512 4.567 0 40 GJAB COc1ccc(C(O)(c2ccc(OC)cc2)c2cccc(Br)c2)cc1 4241654 LRLOMWRZOXMWGZ-UHFFFAOYSA-N 399.284 4.751 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(Br)cc2Cl)c1C 4846889 BGPCQAJJUYXTOA-UHFFFAOYSA-N 384.657 4.512 0 40 GJAB COc1ccccc1C(=O)N(CC(C)C)c1nnc(-c2ccc(F)cc2)s1 4880462 DWRWMTWIOQDIDY-UHFFFAOYSA-N 385.464 4.656 0 40 GJAB O=C(Nc1cc(Br)ccc1O)c1cc(-c2ccc(Cl)cc2)on1 4880506 AFNHUFKLDXIDSL-UHFFFAOYSA-N 393.624 4.715 0 40 GJAB Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2c1C(=O)CC(C)(C)C2 5322428 NEORVWAFJKBNQS-UHFFFAOYSA-N 381.350 4.894 0 40 GJAB CC[C@@H]1C[C@H](CC(=O)NC(=S)Nc2ccc(Br)cc2)C1(C)C 5333312 GKZXVZBFLVRRIA-VXGBXAGGSA-N 383.355 4.725 0 40 GJAB Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1CCc1ccccc1 6608659 VNHXEGZOTZOFPR-UHFFFAOYSA-N 391.496 4.614 0 40 GJAB O=C(Nc1ccc(F)cc1)c1nc(SCc2ccc(F)cc2)ncc1Cl 6747995 AXONJGNRSZWHOH-UHFFFAOYSA-N 391.830 4.953 0 40 GJAB COc1cccc(-c2cc(OC(=O)c3ccccc3F)cc3sc(=O)oc23)c1 6809723 GERVXXRMVAKIKN-UHFFFAOYSA-N 396.395 4.888 0 40 GJAB Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(F)cc1 6913824 UTABTACPLKBLLG-UHFFFAOYSA-N 378.270 4.676 0 40 GJAB O=C(N[C@H]1CCOc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccccc1 7215460 SJAVTDSHQVRQET-QFIPXVFZSA-N 395.462 4.793 0 40 GJAB Cc1ccccc1CN(C)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 7487575 FJPMBXQVDWDBET-UHFFFAOYSA-N 375.497 4.592 0 40 GJAB Cc1cc(-c2csc(NC(=O)c3cnc(Cl)c(Cl)c3)n2)c(C)n1C 8491154 YPDBWMOITCFSGY-UHFFFAOYSA-N 381.288 4.720 0 40 GJAB Nc1ccccc1N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 8715598 YMMXQVCKEYBTFL-UHFFFAOYSA-N 386.524 4.634 0 40 GJAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 9063709 FKFHVMOFLRLSIO-UHFFFAOYSA-N 388.870 4.532 0 40 GJAB Cc1cccc(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)c1C 10843823 RGOOHYNZSHCTEQ-UHFFFAOYSA-N 391.437 4.973 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(F)ccc3F)c12 14260786 VOHGOHBSHUNPQJ-UHFFFAOYSA-N 383.329 4.868 0 40 GJAB Cc1ccc(SCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 19934806 AUVZOGNUQBZTNA-UHFFFAOYSA-N 382.573 4.749 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2ccccc2Cl)c1 22258399 QRCSMQOMVAGMEX-UHFFFAOYSA-N 395.842 4.578 0 40 GJAB CC[C@H](C(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1)c1ccccc1 22925282 WXJCZFSOFCZROL-KRWDZBQOSA-N 394.496 4.903 0 40 GJAB COc1ccc(CN(C(=O)c2ccc(Cl)cc2Cl)C2CC2)c(OC)c1 25291965 XCQQLCJVGBRQKF-UHFFFAOYSA-N 380.271 4.815 0 40 GJAB O=C(NCc1ccccc1C(F)(F)F)c1ccc(COc2ccc(F)cc2)o1 27980049 MNOZFQCMHKELHO-UHFFFAOYSA-N 393.336 4.947 0 40 GJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)cc1OC(C)C 31820823 AWBZGLDNKAHKMH-QGZVFWFLSA-N 377.444 4.792 0 40 GJAB O=C(N[C@H]1CCSc2ccccc21)c1cnn(-c2ccccc2)c1C1CC1 32339358 BHMZTIPWQKLFGS-IBGZPJMESA-N 375.497 4.717 0 40 GJAB CCc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c1 34860507 ZAMNLFRBUSFRLT-ATJXCDBQSA-N 375.453 4.936 0 40 GJAB Cc1ccc2nc(NC(=O)c3cc(C)nc4c3c(C)nn4C(C)C)sc2c1 36612204 MUQLIEJWRQFOLH-UHFFFAOYSA-N 379.489 4.799 0 40 GJAB N#Cc1ccc(Oc2ccc(I)cc2)cc1C(F)(F)F 37325462 LOPQFLLUPLJTKB-UHFFFAOYSA-N 389.114 4.974 0 40 GJAB O=C1CC2(CCN(Cc3ccccc3F)CC2)Oc2ccc3ccccc3c21 39227044 DRZCIIODPUYQIM-UHFFFAOYSA-N 375.443 4.979 0 40 GJAB CCOc1ccc(CCC(=O)Nc2ccc(CN(CC)CC)cc2)cc1OCC 44849264 IZBDLAVNARSZFP-UHFFFAOYSA-N 398.547 4.897 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)Nc3cc(OC)ccc3OC)no2)cc1 46086789 XHGISTNMLOBXCP-UHFFFAOYSA-N 396.443 4.790 0 40 GJAB Cc1cc(C)cc(NC(=O)Cn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)c1 59109432 NRFNNSRHSSFWHF-UHFFFAOYSA-N 388.389 4.950 0 40 GJAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1CCCOC(C)C 67259104 UVRCWPONPNUUMV-UHFFFAOYSA-N 382.529 4.812 0 40 GJAB CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 67321556 UPUOCYAGIVFUFS-HYSRAYMDSA-N 390.483 4.908 0 40 GJAB CC[C@]1(C)CCCN(C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)C1 78947308 JAXSPNSSADIXMA-NBGIEHNGSA-N 392.543 4.731 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](n2cnc3cc(Br)ccc32)CC1 91302665 CRZVVDRAUXIYLL-AWEZNQCLSA-N 394.313 4.761 0 40 GJAB in-vitro CC(C)c1sc(NC(=O)c2cn(C)nc2C(F)(F)F)nc1-c1ccccc1 95973288 IYHQYRKPQWVRFQ-UHFFFAOYSA-N 394.422 4.938 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C 100252062 HYBSWXMRQOAMFV-GTQRCTGISA-N 396.560 4.783 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 103417998 SJJYNMSRRBDJBZ-UCLAIMLFSA-N 396.911 4.574 0 40 GJAB Cc1cccc(CSCC(=O)NCc2cccc(CN3CCCCC3)c2)c1 224695985 GZJZFIMVNXXBQB-UHFFFAOYSA-N 382.573 4.531 0 40 GJAB CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Br)cc1 224737485 PTVHIVKHWVRFRD-UHFFFAOYSA-N 395.105 4.581 0 40 GJAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1c(Cl)cccc1Cl 225799720 JVEFCDSZKKFARP-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB COc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c(OC)c1 225849133 KMXUOTHIFKGMQZ-UHFFFAOYSA-N 384.545 4.936 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257212628 CEHBEPOWKYJHNY-MRXNPFEDSA-N 387.892 4.661 0 40 GJAB Cc1cccc(C)c1N1C[C@@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 408659317 KSIRPBPSZBHZNJ-FQEVSTJZSA-N 385.463 4.929 0 40 GJAB CO[C@H](C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1)[C@@H]1CCOC1 622769874 XFSDVELZDDBUAT-XIKOKIGWSA-N 396.270 4.776 0 40 GJAB COc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc4ccccc24)S3)cc1 1473488 ABBSVTUEQJCTOT-IBGZPJMESA-N 387.464 4.984 0 40 GJAB O=C(Nc1cccnc1Cl)c1ccn(COc2cccc(Cl)c2Cl)n1 2787852 UNKRHODEGJYKHN-UHFFFAOYSA-N 397.649 4.527 0 40 GJAB CCc1ccc2c(CSc3nnc(-c4ccc(F)cc4)n3C)cc(=O)oc2c1 3302684 GOCNHWVWZXDLMS-UHFFFAOYSA-N 395.459 4.582 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCCc3cccs3)n2)cc1 3337144 UPJVKGFXIFKQFV-UHFFFAOYSA-N 385.514 4.791 0 40 GJAB COc1c(Cl)cc(Cl)cc1/C=C1/C(=O)N(c2cccc(F)c2)N=C1C 4358781 XOMNEKXJYLUJSJ-VIZOYTHASA-N 379.218 4.947 0 40 GJAB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 4811533 FKRUALBHODOSHR-HSZRJFAPSA-N 383.495 4.805 0 40 GJAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCN(C)C)cc1F 4811580 BMEOPVVYOHKHPH-LNVKXUELSA-N 385.508 4.548 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3c(Cl)cccc3Cl)no2)cc1OC 4880894 CEZMXEORSHJPQB-UHFFFAOYSA-N 393.226 4.918 0 40 GJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1cccc2ccccc12 4979618 WPIXUGXMVCRQGY-UHFFFAOYSA-N 396.446 4.672 0 40 GJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccccc2F)cc1 5256224 TXOSXECJBGZRQT-NRFANRHFSA-N 379.435 4.663 0 40 GJAB CC(C)c1ccc(-n2nnnc2S[C@@H](C)c2nnc(-c3ccccc3)o2)cc1 5349332 WADLOBLCHHXWJG-AWEZNQCLSA-N 392.488 4.689 0 40 GJAB CCC(CC)C(=O)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 5625338 VRSLCFDUICKXNB-UHFFFAOYSA-N 397.906 4.542 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cc2ccccc2o1 6356585 WRNBHESZOFISRF-UHFFFAOYSA-N 392.484 4.750 0 40 GJAB COCCOc1cc(Nc2nnc(C(F)(F)F)s2)c(Cl)cc1Cl 6640848 ZZVOSYKNKUABTR-UHFFFAOYSA-N 388.198 4.633 0 40 GJAB CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1c(Cl)cccc1Cl 6820052 PSFGRFIQXYNETN-CYBMUJFWSA-N 384.303 4.850 0 40 GJAB COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)ccc1O 6922837 ZPRXFOYSQXJVFF-FGCOXFRFSA-N 381.516 4.578 0 40 GJAB biogenic O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1cc2ccccc2o1 7763885 RCPVIEDAKZDSAR-UHFFFAOYSA-N 395.509 4.987 0 40 GJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ncc(-c2ccccc2)o1 8152328 BOEOZQOGXIVHKB-UHFFFAOYSA-N 390.270 4.719 0 40 GJAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)N2C(=N1)Nc1ccccc12 8741306 SDHJBHNFMUHUDP-LJQANCHMSA-N 381.863 4.908 0 40 GJAB COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2cccc3ccccc23)cc1 9065465 VKYYDDDCHGMQCD-OAQYLSRUSA-N 383.451 4.817 0 40 GJAB C[C@H]1CCCN(c2nc(Nc3ccccc3)c3cnn(-c4ccccc4)c3n2)C1 9573548 DJWSGLLBYDIMRF-KRWDZBQOSA-N 384.487 4.795 0 40 GJAB CCCCc1ccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)cc1 9659394 UCPMIDJZDKJQOI-UHFFFAOYSA-N 383.473 4.512 0 40 GJAB CCc1cccc(C)c1NC(=O)COC(=O)/C=C/c1cc2cccc(OC)c2o1 11579458 CUVZDBDJSCRUSH-VAWYXSNFSA-N 393.439 4.507 0 40 GJAB CN(Cc1ccc(F)cc1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 13002326 NSWPSGMKNVCGLY-UHFFFAOYSA-N 390.867 4.787 0 40 GJAB C[C@H](Cc1ccccc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 13616795 KIBKZTJXDIKILT-YATDTUEHSA-N 393.486 4.510 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13685273 NNMWSXVJMGXRRM-SJORKVTESA-N 390.483 4.774 0 40 GJAB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1 13925352 XFSJYCLLKNPJPW-STZFKDTASA-N 399.446 4.927 0 40 GJAB CCc1ccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)cc1 15825461 SHXLOIIPZROUMD-UHFFFAOYSA-N 385.920 4.878 0 40 GJAB CCC[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1 18135090 SSGIUOCDLYCAIQ-KRWDZBQOSA-N 390.512 4.817 0 40 GJAB CCc1ccc(Cn2nccc2NC(=O)c2nc(-c3ccccc3)oc2C)cc1 21599610 MQVSHMBLGBSJFZ-UHFFFAOYSA-N 386.455 4.710 0 40 GJAB CCCSc1ncc(Br)c(C(=O)Nc2ccc(C)cc2C)n1 27795436 AASNUQHXWGHYOM-UHFFFAOYSA-N 380.311 4.610 0 40 GJAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3F)c2)n1 27970797 BZCFVMYHRZKSGV-UHFFFAOYSA-N 391.368 4.958 0 40 GJAB CC(C)(C)c1cc(NC(=O)CN(Cc2cccs2)Cc2cccs2)on1 29701449 YUSWWUDSLCRFMS-UHFFFAOYSA-N 389.546 4.736 0 40 GJAB Cc1cccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 33012568 AKUPRAJAWXRBLC-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB CCc1ccccc1NC(=O)CSCc1cc(=O)c2c(C)cc(C)cc2[nH]1 33064084 RWQNWJFQKLOSEM-UHFFFAOYSA-N 380.513 4.579 0 40 GJAB Cc1ccc(Nc2c(-c3cccc(O)c3)nc3cnccn23)c(Br)c1 35616549 FABNEFBWGWUSLP-UHFFFAOYSA-N 395.260 4.916 0 40 GJAB COc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c(OC)c1 40069883 CKJGGYBPJDEZDM-UHFFFAOYSA-N 379.378 4.527 0 40 GJAB CCc1oc2ccccc2c1/C=C/C(=O)Nc1ccccc1-c1nncn1CC 40114620 LQODGUCJOZRTEA-BUHFOSPRSA-N 386.455 4.926 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1 44901517 HQPQLIURXUZLRK-OAQYLSRUSA-N 377.440 4.813 0 40 GJAB CCC1CCC(N(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C2CC2)CC1 48290331 UKPVNZMDQTUKNZ-OBXNSHGQSA-N 397.563 4.890 0 40 GJAB CSc1nnc(CN(CCc2ccccc2)Cc2ccc(C)s2)s1 48303159 BQPWSSUMYPJJPK-UHFFFAOYSA-N 375.588 4.875 0 40 GJAB COc1ccc(Nc2c(C(=O)OC(C)C)cnc3nc(C)ccc23)cc1Cl 49004496 NJFJLIONFOAVEY-UHFFFAOYSA-N 385.851 4.909 0 40 GJAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)C1(c2cc(-c3cccs3)on2)CC1 56918917 GTKBMYSZPCYSLY-CYBMUJFWSA-N 382.460 4.942 0 40 GJAB Cc1c(C(=O)N2C[C@H](C)c3ccccc32)cnn1-c1cccc(C(F)(F)F)c1 60598166 BMJFJQZSIIKXFL-ZDUSSCGKSA-N 385.389 4.963 0 40 GJAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccccc2OCC)[nH]n1 72331587 AMQDGBSXHHSCJQ-UHFFFAOYSA-N 393.487 4.584 0 40 GJAB FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccncc3)C2)c1 72358567 RPSRVNYFBNQJNC-GOSISDBHSA-N 398.432 4.937 0 40 GJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1c(-c2ccc(F)cc2)ncn1C 84068104 BRQUYSURRNZLSF-UHFFFAOYSA-N 388.446 4.572 0 40 GJAB CCN(C(=O)Nc1ccc(CCSC)cc1)[C@H]1CCN(Cc2ccccc2)C1 95942661 RHGKXEFKANMSRC-QFIPXVFZSA-N 397.588 4.720 0 40 GJAB Cc1cc(-c2c(C)nn(-c3nc(-c4ccccc4)cs3)c2O)n(C(C)(C)C)n1 100334435 MPYKYPFTQYKZBX-UHFFFAOYSA-N 393.516 4.937 0 40 GJAB CCOc1ccc2nc(SCC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)sc2c1 102149545 PBYJSOJWOHOJEY-ORIJERBGSA-N 390.574 4.728 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(N2CCCC2=O)cc1 216489535 CKFSXIRRIXJGCE-OAQYLSRUSA-N 388.467 4.763 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 224086291 MBBAWJQTONFTDE-MRXNPFEDSA-N 387.892 4.963 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1cc(C)cc(C)c1 224107728 RCCORXGTFHAUFN-JOCHJYFZSA-N 383.532 4.954 0 40 GJAB CCOc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 225685913 BPZFTVMFHYHKKK-SFHVURJKSA-N 386.517 4.683 0 40 GJAB O=C(N[C@@]1(C(=O)O)C[C@H]1c1ccccc1)OCC1c2ccccc2-c2ccccc21 253189870 ZUHVSHCCMGDQNS-DHLKQENFSA-N 399.446 4.536 0 40 GJAB COc1ccc(/C=C2\SC(=N)NC2=O)cc1OCc1cccc2ccccc12 408888248 XWLWLXKJLYDTIO-NDENLUEZSA-N 390.464 4.566 0 40 GJAB O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)CCC[C@H]1Oc1ccc(Cl)cc1 585289288 HKBDTUWKPQQYEG-RBZQAINGSA-N 399.962 4.956 0 40 GJAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccsc1)c1ccco1 618256559 JOXSQIGMPYBOAN-AWEZNQCLSA-N 376.865 4.957 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)cc1F 1615125177 ZKGXJAOSOQHIQV-HSZRJFAPSA-N 384.470 4.937 0 40 GJAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 622338 CZVVUPCMTBOGOE-UHFFFAOYSA-N 390.483 4.942 0 40 GJAB COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 938632 BZOOLSMUBYDZBO-HNNXBMFYSA-N 385.529 4.867 0 40 GJAB CC(C)c1nc(SCC(=O)NC2CCCC2)c2c3c(sc2n1)CCCC3 1377469 GLHQOBDIPPGOJJ-UHFFFAOYSA-N 389.590 4.844 0 40 GJAB CC(=O)c1ccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1 2249408 DWMHLUOWYSRBAU-UHFFFAOYSA-N 382.398 4.977 0 40 GJAB COc1ccc(-c2coc3cc(OC(=O)c4ccccc4F)ccc3c2=O)cc1 2406308 KEIBWDSTUQMCOJ-UHFFFAOYSA-N 390.366 4.827 0 40 GJAB biogenic COc1cc2c(cc1OC)C(Cc1ccccc1Br)=NC(C)(C)C2 2501694 XFWHUFVZYPXBNG-UHFFFAOYSA-N 388.305 4.833 0 40 GJAB O=C(OCC(=O)N1CCCCCC1)c1cc(-c2cccs2)nc2ccccc12 3397705 LTJGKHYPXJLRNP-UHFFFAOYSA-N 394.496 4.523 0 40 GJAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1 3476435 QNOXKBKNEDJGEP-UHFFFAOYSA-N 390.871 4.557 0 40 GJAB O=C(COc1ccccc1)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4162443 LFFRBTPOVYLRIJ-UHFFFAOYSA-N 386.407 4.703 0 40 GJAB Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1C 4965480 KGTYLBSGZOALCP-UHFFFAOYSA-N 385.895 4.839 0 40 GJAB CC(C)CCn1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 5101007 HVLJTVOAAZEROH-UHFFFAOYSA-N 380.492 4.702 0 40 GJAB O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccc(Br)cc1 5260281 DIFOPPXPRNCJRV-UHFFFAOYSA-N 388.286 4.917 0 40 GJAB CC(C)c1ccccc1NS(=O)(=O)c1c(F)cc(F)cc1Br 6316657 QDYUXWKGLWRNIB-UHFFFAOYSA-N 390.249 4.652 0 40 GJAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2sc3ccccc3c2Cl)[C@@H]1C 6586398 BAUGPNHZCJAPMM-YRGRVCCFSA-N 379.909 4.652 0 40 GJAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc2ccccc2c1 6886198 XLQWZVUFTOOUEC-UHFFFAOYSA-N 392.414 4.893 0 40 GJAB COc1ccccc1CSc1nc(-c2ccccc2Br)n[nH]1 7252176 LBIUBERCJADNLV-UHFFFAOYSA-N 376.279 4.535 0 40 GJAB Cc1n[nH]c(=S)n1NCc1c(OCc2ccccc2F)ccc2ccccc12 7541578 GZVGNEIFKLJOME-UHFFFAOYSA-N 394.475 4.864 0 40 GJAB CCN(CC)Cc1ccc(CNC(=O)c2sc(-c3ccsc3)nc2C)cc1 7829269 ZWSDXIBHNGRENI-UHFFFAOYSA-N 399.585 4.952 0 40 GJAB C=C1c2ccccc2N=C(SCC(=O)Nc2ccc(OC(F)F)cc2)N1C 7982490 DCPHJLUYKSIJDQ-UHFFFAOYSA-N 389.427 4.564 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 8239148 ZMRFNNXFXCWNIF-CHWSQXEVSA-N 388.261 4.840 0 40 GJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1ccc(Cl)cc1 8751375 MUYSEQNJXPSDHB-UHFFFAOYSA-N 376.790 4.522 0 40 GJAB NC(=O)c1ccccc1NCc1cc(-c2cccc(F)c2)cnc1-c1ccncc1 12337337 RNUNHRRFUVUTJU-UHFFFAOYSA-N 398.441 4.661 0 40 GJAB Cc1cc(C)cc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)c1 12444157 CVPORINWONWMKC-UHFFFAOYSA-N 396.537 4.916 0 40 GJAB COc1ccc(CNCC[C@@]2(Cc3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1 13511980 BWDBVIZIEPZRRP-BKSPAHHJSA-N 380.576 4.764 0 40 GJAB COc1ccc(-c2nc(CC(=O)NCCCSc3ccccc3)cs2)cc1 14139795 YLDJZOAXBSRYCU-UHFFFAOYSA-N 398.553 4.660 0 40 GJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccccc1Cl 14261834 MFBMGILDFAQZBK-UHFFFAOYSA-N 375.255 4.897 0 40 GJAB Cc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](c1cccs1)C3 14607711 GRLDHHKRBTYLJR-CYBMUJFWSA-N 394.887 4.727 0 40 GJAB CCCCOc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1 17080646 GSUQOSZXVZYTGF-UHFFFAOYSA-N 394.496 4.851 0 40 GJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NC4CCCCC4)c(C)c3cc12 20427607 PMZLUYLQEZSWJY-UHFFFAOYSA-N 381.472 4.846 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC(C)C)c(OC)c1 20457670 XTUBLVZBQAAFAR-LJQANCHMSA-N 385.504 4.573 0 40 GJAB O=C(NC1CCCCC1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22072950 BWHCXOINYWZQKW-UHFFFAOYSA-N 379.382 4.786 0 40 GJAB Cc1cc(C)c2c(C)c(C(=O)N(C)CC(=O)Nc3cccc(C)c3C)sc2n1 24862663 FRNVMXRPUMXFTL-UHFFFAOYSA-N 395.528 4.549 0 40 GJAB CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)C(F)F 25184234 WKYQIYPBNALQBJ-UHFFFAOYSA-N 399.369 4.529 0 40 GJAB Cc1ccc([C@H](C)NC(=O)c2ccn(COc3ccccc3Cl)n2)c(C)c1 28239001 HQBPVKOTCBSOLM-INIZCTEOSA-N 383.879 4.681 0 40 GJAB Cc1nc(C2(NC(=O)c3cccc(Oc4ccccc4)c3)CCCCC2)no1 29057758 INWQOXCCDUIZQY-UHFFFAOYSA-N 377.444 4.760 0 40 GJAB COc1ccc(-c2csc(CCNC(=O)c3c(F)cccc3Cl)n2)cc1 31848874 GRBSZRLLVWZMFZ-UHFFFAOYSA-N 390.867 4.584 0 40 GJAB CCOc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1OCc1cccnc1 31898380 UDYMVLPJAWPSHF-UHFFFAOYSA-N 399.450 4.860 0 40 GJAB O=C(Nc1nc(C(F)(F)F)cs1)c1ncc(Cl)c(Cl)c1Cl 32832686 JAGMIIUATKNUQC-UHFFFAOYSA-N 376.574 4.769 0 40 GJAB COc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1ccc(Br)cc1 36357065 KUYOVPSUWOXTKB-HNNXBMFYSA-N 398.260 4.767 0 40 GJAB Cc1ccc(Cn2c3ccccc3n3c(=O)cc(-c4ccc(F)cc4)nc23)cc1 40484924 OKBKCRPYDYLYNO-UHFFFAOYSA-N 383.426 4.812 0 40 GJAB O=C(c1ccccc1)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 43278260 KPWWIAVGTVAINT-UHFFFAOYSA-N 376.378 4.832 0 40 GJAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1nc2ccccc2s1 43939701 AVJCLOVAKZRUAA-UHFFFAOYSA-N 396.472 4.620 0 40 GJAB COc1cc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)ccc1NC(C)=O 44771056 ONOFOXWNATWVFM-UHFFFAOYSA-N 392.480 4.733 0 40 GJAB COc1ccc2oc(C)c(C(=O)NCc3ccccc3CN(C)C(C)C)c2c1 48333488 JQXDRHBJIDLVCZ-UHFFFAOYSA-N 380.488 4.520 0 40 GJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)cc3F)n2)cc1 57486829 KLKPUFUQGNHTHC-UHFFFAOYSA-N 390.418 4.600 0 40 GJAB C[C@H](SCc1ccccc1Br)C(=O)Nc1ccc(F)c(F)c1 58045960 JZIILIYEGNISKD-JTQLQIEISA-N 386.261 4.988 0 40 GJAB c1ccc(-c2cc3c(NC4CCN(c5ccccn5)CC4)ncnc3s2)cc1 71811023 XWLIMCDVTHQURV-UHFFFAOYSA-N 387.512 4.834 0 40 GJAB CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1SC1CCCCC1 72217285 JDUHJDABQMGJPZ-UHFFFAOYSA-N 378.538 4.994 0 40 GJAB Cc1cc(O)c(-c2cc(C(=O)Nc3cccc(Cl)c3C)[nH]n2)cc1Cl 72427475 MKTGHHDNQLUULH-UHFFFAOYSA-N 376.243 4.958 0 40 GJAB Cn1cccc1CN(Cc1cccs1)C(=O)NC12CC3CC(CC(C3)C1)C2 77200827 IKCPQDOATWNWDL-UHFFFAOYSA-N 383.561 4.767 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)NCc1ccc(F)cc1 90593318 CITVHIFYWKEZES-UHFFFAOYSA-N 389.883 4.910 0 40 GJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 95482217 PQNOSUTWSHSNFS-NTCAYCPXSA-N 375.472 4.706 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cccc(NC(=O)N(C)C)c3)n2)c(C)c1 95960759 KBUSAPVOTVGOIN-UHFFFAOYSA-N 394.500 4.773 0 40 GJAB CCSc1ccccc1C(=O)NCC1(Sc2ccccc2)CCOCC1 96331071 YRRAKDKEVUEKRR-UHFFFAOYSA-N 387.570 4.870 0 40 GJAB Cc1cccc(N2CCN(C(=O)CSCc3cccc(Cl)c3)CC2)c1C 104654144 WFQFJLPMXTZCJN-UHFFFAOYSA-N 388.964 4.539 0 40 GJAB CCn1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c2ccccc21 106766472 VUOQGFCLRZTFQT-ZHZULCJRSA-N 392.480 4.777 0 40 GJAB O=C(c1cccc(C(F)(F)F)c1)N(CCc1cccs1)C1CCOCC1 207962908 VSEFYDAEYYFYAU-UHFFFAOYSA-N 383.435 4.631 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1C 218829737 GYJGQLKDFNHVKM-OAHLLOKOSA-N 376.294 4.631 0 40 GJAB Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Br)o2)CCS1 219280452 RPBLJAUHKJCZAE-HNNXBMFYSA-N 380.307 4.671 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3cccnc3)N21 222685502 YVECDQRTJJDVTG-MAODMQOUSA-N 389.528 4.555 0 40 GJAB COc1cccc(CCCNC(=O)CSCc2ccc(Cl)cc2Cl)c1 222723471 AHEFUASUYXTBAC-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCc3ccc(Cl)cc3)cn2)C1 223930729 VKVGNJZXMLBVOJ-GJZGRUSLSA-N 388.968 4.704 0 40 GJAB CCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Nc3cccc(Cl)c3)CC1)O2 225817875 VKCOZGCLPPIDSO-UHFFFAOYSA-N 398.890 4.934 0 40 GJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225847923 DYKSGMQVWFCCEV-JOCHJYFZSA-N 393.524 4.966 0 40 GJAB COc1ccc(C(=O)Nc2cc(N3[C@@H](C)CCC[C@H]3C)c(C)cc2N)cc1OC 226331427 BZUARQQNBUEWMX-IYBDPMFKSA-N 397.519 4.614 0 40 GJAB CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 226721175 RLOYQHMWSVMPSX-LYGMZBLVSA-N 385.592 4.533 0 40 GJAB O=C(O)c1ccc(CN2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)cc1 257270411 MUCHEBKAXGITJD-OAQYLSRUSA-N 376.456 4.691 0 40 GJAB CC(C)(C)OC(=O)n1cc(Br)c2cc(N)c(Br)cc21 306824690 USMDSOBBIGJPDS-UHFFFAOYSA-N 390.075 4.532 0 40 GJAB O=C(NC1CCCCCC1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408678708 UTGQCOZGVLCSTM-UHFFFAOYSA-N 378.447 4.767 0 40 GJAB O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1cc(F)cc(F)c1 408712980 DYOXLLBSXYGQIM-UHFFFAOYSA-N 386.423 4.668 0 40 GJAB O=C(CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O)Nc1cccc(Cl)c1 409158969 YSXJGGILIWBFFK-KUZVYUEUSA-N 398.871 4.571 0 40 GJAB c1ccc(CSCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 1501039870 CEFMEDKIRKMSKN-UHFFFAOYSA-N 377.498 4.768 0 40 GJAB COc1ccc2nc(SCC(=O)Nc3nc4ccccc4s3)c(C)cc2c1 933015 LWBOMSRJNZQGOR-UHFFFAOYSA-N 395.509 4.892 0 40 GJAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2cccc(Cl)c2)s1 949892 DASXOQLDRUORPP-UHFFFAOYSA-N 375.856 4.577 0 40 GJAB CSc1nsc(SC)c1C(=O)Nc1ccc(Br)c(C)c1 1056227 VNUWJPVOEZQACZ-UHFFFAOYSA-N 389.365 4.910 0 40 GJAB Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)s2)c(C)c1 1342218 CKMHFPFGJTXAQI-UHFFFAOYSA-N 384.545 4.769 0 40 GJAB O=C(O[C@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1)c1cccs1 1361106 FQMSLRUCUOZDNH-KRWDZBQOSA-N 377.893 4.749 0 40 GJAB CCCCOC(=O)c1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 1871169 UYKJLXHEJNMNOW-UHFFFAOYSA-N 397.500 4.705 0 40 GJAB Cc1nc2sc3c(c2c2nc(-c4ccc(N(C)C)cc4)nn12)CC[C@H](C)C3 2217654 GEORFYMMSCVEMA-LBPRGKRZSA-N 377.517 4.505 0 40 GJAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1Nc1ccccc1 2642835 MOZIZVUAILLXAL-UHFFFAOYSA-N 386.451 4.566 0 40 GJAB O=C(CCCSc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 2726452 YISDEXSCPYTVPJ-UHFFFAOYSA-N 397.569 4.517 0 40 GJAB O=C1O[C@](Nc2ccc(Br)cc2)(c2ccccc2)c2ccccc21 2893092 IGCDQVLGLJPBHQ-HXUWFJFHSA-N 380.241 4.933 0 40 GJAB CCO[P@](=O)(C(NC(=O)c1ccc(C)cc1)=C(Cl)Cl)c1ccccc1 3118651 JUVOYSGPVPUFEB-VWLOTQADSA-N 398.226 4.969 0 40 GJAB Cc1ccccc1Nc1nnc(SCC(=O)NCCC2=CCCCC2)s1 3292419 LFAIALDGXDAIRN-UHFFFAOYSA-N 388.562 4.689 0 40 GJAB CCCc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2OC)cc1 3361808 NAUJEOBXRNDOQS-HNNXBMFYSA-N 381.501 4.592 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc(Cl)c(Cl)c1 3434438 ZQDQQKKNNDMFCF-INIZCTEOSA-N 382.291 4.935 0 40 GJAB Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@H]2c2ccc(C)o2)c(C)c1 4090862 HOVTWMLDWFDXNL-HSZRJFAPSA-N 388.467 4.634 0 40 GJAB biogenic CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2)CC1 4123051 JJDCIULSYSVRAD-UHFFFAOYSA-N 387.936 4.703 0 40 GJAB COc1ccc(/C=C/c2nc(-c3ccc(Br)cc3)no2)cc1OC 4723552 KLCUTOZYHIGEMB-ONNFQVAWSA-N 387.233 4.687 0 40 GJAB CC(C)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2)cc1 4732477 CDMIHQCJNYQHCS-UHFFFAOYSA-N 397.482 4.764 0 40 GJAB CC[C@H]1CCCCN1C(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 4828528 DRJGQJLRFQWEKT-JGGQBBKZSA-N 396.413 4.541 0 40 GJAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccc(OC)cc1OC 4849214 PDSBNJWOXXZNEX-UHFFFAOYSA-N 382.485 4.545 0 40 GJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2[nH]1 5453775 KDWDAFPKFGQPMO-UHFFFAOYSA-N 399.907 4.699 0 40 GJAB Cc1c(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)s2)sc2ccccc12 5534296 LAWLLYWARJTGBA-UHFFFAOYSA-N 395.465 4.709 0 40 GJAB CCOC(=O)c1ccc2c(c1)nc(Cc1ccc(Br)cc1)n2CC 5657732 HQMZYTTULFEFFF-UHFFFAOYSA-N 387.277 4.586 0 40 GJAB NC(=S)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 5714640 YQWXSPMWCMMZSR-JFCPHNPSSA-N 383.467 4.805 0 40 GJAB O=C(CCCSc1nc2ccccc2s1)Nc1ccc2c(c1)OCCO2 5843119 NJAFIHDPYWQDBY-UHFFFAOYSA-N 386.498 4.579 0 40 GJAB O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 6647669 ZDLGIBMZXDAIIO-HSZRJFAPSA-N 383.447 4.882 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 6788699 PHVBECRZKXBQHY-UHFFFAOYSA-N 398.919 4.837 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 7882315 DIXBTRMGWRWFSH-MRXNPFEDSA-N 390.414 4.610 0 40 GJAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl 7927226 PPGNNIRHIPOKTD-CQSZACIVSA-N 399.343 4.675 0 40 GJAB CC(C)(C)c1ccc(CCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 10446137 JLWSWWUXSXHFFZ-UHFFFAOYSA-N 392.543 4.794 0 40 GJAB CSc1ncccc1C(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 11286038 BJTZDZSAOKPQOF-UHFFFAOYSA-N 382.514 4.614 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)ns2)ccc1Cl 11916742 ZPGDAYFMXGTTDU-NSHDSACASA-N 391.855 4.712 0 40 GJAB CCCc1cc(=O)[nH]c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)n1 12475926 GRBAGENCTAKSBH-UHFFFAOYSA-N 384.501 4.553 0 40 GJAB CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 12610232 LXZRMZJQDHPVID-MRXNPFEDSA-N 389.455 4.876 0 40 GJAB O=C(Nc1ccc(F)cc1Cl)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12768230 KQQWHWBCWPWHJI-UHFFFAOYSA-N 399.853 4.558 0 40 GJAB COc1cccc(-c2nc(-c3ccc4c(c3)CCN4C(C)=O)c(C)s2)c1OC 12808855 LSXGAMOUFZCSOF-UHFFFAOYSA-N 394.496 4.712 0 40 GJAB CC(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@@H]1c1ccc2nccnc2c1 12821387 WMFXGNOSFBWNAA-LJQANCHMSA-N 385.254 4.634 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1cccc(Br)c1 15581976 MFQUATHLCNMWAF-UHFFFAOYSA-N 384.321 4.601 0 40 GJAB CCc1cccc(C)c1NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 15669618 QCRYNXNRCASIHS-UHFFFAOYSA-N 379.460 4.577 0 40 GJAB COc1ccc(-c2n[nH]cc2-c2nc(-c3ccc(Br)cc3)no2)cc1 16841222 MJUZZJJINMPSEM-UHFFFAOYSA-N 397.232 4.565 0 40 GJAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)cc1Cl 16971448 TUVXUEMDGLCETQ-UHFFFAOYSA-N 382.262 4.611 0 40 GJAB COc1cc(C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OC(C)C 17295227 MDVIYNQKSMSXPL-UHFFFAOYSA-N 386.879 4.590 0 40 GJAB COCCn1cc(CNC2(c3ccccc3OC)CCCC2)c2ccccc21 19594215 TXUYSRIBDSYTRN-UHFFFAOYSA-N 378.516 4.855 0 40 GJAB Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCC(C)CC3)c(O)n2n1 23157152 QDDLQMDCVDVUAJ-SFHVURJKSA-N 384.549 4.750 0 40 GJAB CCCN(Cc1nnc(-c2cccs2)o1)Cc1cc(=O)oc2cc(C)ccc12 25406975 NCIHBOVURNYUKS-UHFFFAOYSA-N 395.484 4.625 0 40 GJAB COc1cc2c(cc1OC)CN(Cn1c(SC(C)C)nc3ccccc31)CC2 25436105 UUQFIKDXQBAGIS-UHFFFAOYSA-N 397.544 4.570 0 40 GJAB O=C(CCc1nc2ccccc2o1)N1CCC[C@H]1c1nc2ccccc2s1 31390139 JANRDYKAMALOAA-INIZCTEOSA-N 377.469 4.734 0 40 GJAB Cc1ccc(OCc2nnc(SCc3noc(-c4ccc(C)cc4)n3)o2)cc1 31620995 XHCOJBXKPUBSRZ-UHFFFAOYSA-N 394.456 4.608 0 40 GJAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3ccccc3)c12 36613455 ATWSEFUNSZILMX-UHFFFAOYSA-N 396.494 4.595 0 40 GJAB CCOc1ccc2nc(S[C@@H](C(=O)NC3CCCC3)c3ccccc3)[nH]c2c1 39383543 YVFVKQTUZCYZAI-HXUWFJFHSA-N 395.528 4.854 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(Cn3cccn3)cc2)cc1 40037447 MHXZXZJDLVRMRG-HSZRJFAPSA-N 389.499 4.698 0 40 GJAB O=C(NC[C@H](O)c1ccc(F)cc1F)Nc1cc(Cl)c(Cl)cc1Cl 40098571 ZUTYITSSWJABSW-AWEZNQCLSA-N 395.620 4.780 0 40 GJAB Cc1cccnc1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 40143971 VFOZNYPTGBFANK-UHFFFAOYSA-N 384.233 4.592 0 40 GJAB O=C(N(Cc1ccsc1)Cc1ccco1)C1(c2ccccc2)CCOCC1 42382064 XTZCTEKFBWTCBU-UHFFFAOYSA-N 381.497 4.618 0 40 GJAB CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccc(F)cc2F)cn1 47334091 ZPTBFAAJLGUXNZ-UHFFFAOYSA-N 399.397 4.873 0 40 GJAB COc1ccc2[nH]c(=O)c(CNc3ccc(N4C[C@H](C)C[C@@H](C)C4)cc3)cc2c1 57718389 JYNXUVWLFSXVJX-IAGOWNOFSA-N 391.515 4.631 0 40 GJAB Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc2ccccc2c1 58171932 ACQGRTJOEJBCMU-UHFFFAOYSA-N 376.525 4.949 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 59746071 IVLXMXYEEYVLET-FUHWJXTLSA-N 382.479 4.830 0 40 GJAB Cc1ccc(N2CCN(c3nccn4nc(-c5ccccc5C)cc34)CC2)c(C)c1 67285467 SFTOWTRQZJNAPM-UHFFFAOYSA-N 397.526 4.648 0 40 GJAB CC(=O)N1CCCCC[C@@H]1Cc1c(C(=O)NC2(C)CCC2)sc2ccccc12 72370797 XITBZDLONOQZNV-QGZVFWFLSA-N 398.572 4.907 0 40 GJAB CC(C)c1ccc(OCCc2cc([C@H]3CCN(Cc4ccncc4)C3)n[nH]2)cc1 72380049 AFZVCANFGACJNF-NRFANRHFSA-N 390.531 4.539 0 40 GJAB O=C(N[C@@H]1CCCCCC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 72481802 WWGXOZWLVAOLTC-IFMALSPDSA-N 393.483 4.949 0 40 GJAB O=C(NC1CC1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 79487837 VXEDDABWYRNFIZ-OAQYLSRUSA-N 380.532 4.540 0 40 GJAB CSc1nccn1-c1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 83995647 QGZARQCLOOZDSX-UHFFFAOYSA-N 392.528 4.837 0 40 GJAB COc1cccc2cc([C@H](C)Nc3cnn(C(C)(C)C)c(=O)c3Cl)oc12 84647609 JXUFZFSQLRNXBI-NSHDSACASA-N 375.856 4.580 0 40 GJAB COc1cc(C(=O)Nc2cccc(Cl)n2)cc(OC)c1OCc1ccccc1 95962929 BXTFKYSPFUZBIH-UHFFFAOYSA-N 398.846 4.584 0 40 GJAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1cc2ccccc2oc1=O 96222141 PPSSUHPKHVJOIQ-GOSISDBHSA-N 392.842 4.735 0 40 GJAB biogenic O=C1C[C@H](c2c(-c3ccccc3)cc3ccccn23)C(=O)N1Cc1ccccc1 103228413 MKXBUPYHMYKLPI-JOCHJYFZSA-N 380.447 4.649 0 40 GJAB Cc1cccc(C2(NC(=O)Nc3ccc(N4CCOC4=O)cc3)CCCC2)c1 103290207 RSNWZDDJPXWJBR-UHFFFAOYSA-N 379.460 4.543 0 40 GJAB CCCOc1ccccc1CCCNC(=O)COc1cccc2ccccc12 218913868 LYBGIJQPBPZPFY-UHFFFAOYSA-N 377.484 4.756 0 40 GJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(OC)c(OC)c1 219047526 BCLBIKVHJLHXFE-OXQOHEQNSA-N 393.483 4.892 0 40 GJAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COC(C)C 224422305 MVYDKNNKIOJKRC-UHFFFAOYSA-N 382.287 4.857 0 40 GJAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)c(C)c1C 225299009 WFFCIQVCIAVWAD-HSZRJFAPSA-N 395.524 4.688 0 40 GJAB Cc1cccc(-c2noc(CN(C)C(=O)COc3cc(C)ccc3C(C)C)n2)c1 225709977 QIDUUPPGYQTRKN-UHFFFAOYSA-N 393.487 4.514 0 40 GJAB O=C(Nc1ccc(Cl)cc1)c1snnc1-c1ccc(Br)cc1 225783464 DNMLMPSXTJQUBM-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB CCOc1cc(-c2nnc(N)o2)ccc1OCc1ccc(Cl)c(Cl)c1 226325628 MHAPXQMSTVDXBB-UHFFFAOYSA-N 380.231 4.603 0 40 GJAB COc1c(Cl)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Cl 260753070 BESGOEAKZBJUIH-HPEXNQPKSA-N 394.327 4.986 0 40 GJAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 260941137 RAEZAAZRMUJZOP-JPYJTQIMSA-N 394.534 4.794 0 40 GJAB COc1ccc(OC)c(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1 409198417 ABURJZFMXPIBAE-UHFFFAOYSA-N 387.819 4.782 0 40 GJAB O=C1N[C@@H](CC(F)(F)F)C(=O)N1c1cccc(CSC2CCCCC2)c1 562483087 UBBAVWCFVQTLHD-HNNXBMFYSA-N 386.439 4.630 0 40 GJAB O=C(Cc1cc2ccccc2c(O)n1)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 574614952 CYUSYXZEMQJEBP-APWZRJJASA-N 394.902 4.979 0 40 GJAB CN(C)[C@H](CNC(=O)c1ccc2ncsc2c1)c1csc2ccccc12 575621863 WGGHSZIUMFZWCN-QGZVFWFLSA-N 381.526 4.544 0 40 GJAB O=C(Nc1cccc(OCCF)c1)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 585090159 PHESPDZMWWPBNX-ACRUOGEOSA-N 384.451 4.561 0 40 GJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Nc2ccccc2)c1 605292440 CGLPZLGSTQLDNR-UHFFFAOYSA-N 385.511 4.825 0 40 GJAB C[C@@]12COC[C@H]1CN(C(=O)c1oc3ccccc3c1CSc1cccs1)C2 618717576 JXAPONDBHMRCGP-SPLOXXLWSA-N 399.537 4.895 0 40 GJAB Cc1cccc(S(=O)(=O)N2CCS[C@@H]2c2ccc3c4c(cccc24)CC3)c1 855044 DYLCUYDJKIHMFU-JOCHJYFZSA-N 395.549 4.683 0 40 GJAB COc1cccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)c1 912328 SGAWTXRDEHOZMN-LBPRGKRZSA-N 399.541 4.556 0 40 GJAB Cn1c(COc2cccc3cccnc23)nnc1SCc1ccc(Cl)cc1 1480432 YLUFPHSJGCVMHC-UHFFFAOYSA-N 396.903 4.888 0 40 GJAB CCc1ccc(-c2nc3c4cnn(-c5ccc(C)c(Cl)c5)c4ncn3n2)cc1 2215730 JAJDCUOOBUQPQS-UHFFFAOYSA-N 388.862 4.654 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccn(COc2ccccc2F)n1 2786394 WRGZDBVFNRDZJQ-UHFFFAOYSA-N 380.206 4.618 0 40 GJAB CC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1-c1ccccc1 4088395 IXDGUPFXBYGMBJ-UHFFFAOYSA-N 379.466 4.875 0 40 GJAB COc1ccc(Cl)cc1-c1ccc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)o1 4149786 WISIHRPGSPPEAM-ONEGZZNKSA-N 396.752 4.881 0 40 GJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)CC)cc2c1 4231117 WUJOSFIJKLAWQL-UHFFFAOYSA-N 398.890 4.519 0 40 GJAB Cc1ccccc1-n1nnnc1C1(N(N=O)c2ccc(Cl)cc2)CCCCC1 4771956 AJUHVCRCINORBJ-UHFFFAOYSA-N 396.882 4.972 0 40 GJAB CC(=O)c1cccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c1 4885441 KORDWLXVIRVTOK-UHFFFAOYSA-N 397.906 4.768 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)c3ccc(OC(F)F)cc3)o2)cc1 5210696 LJSDQKJEBZMCKA-UHFFFAOYSA-N 376.384 4.621 0 40 GJAB COc1ccc(-c2c(NC(=O)Cc3ccccc3)oc3ccccc3c2=O)cc1 5269601 ZXGUPOUXHAOOQC-UHFFFAOYSA-N 385.419 4.650 0 40 GJAB CC(=O)c1cccc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1 5429128 UPYNPQRQXNAKTF-UHFFFAOYSA-N 385.514 4.550 0 40 GJAB COc1ccc(C2=Nc3c(ccc4ccccc34)C(c3cccnc3)=NN2)cc1 6136581 DHMFHHNTZKXENO-UHFFFAOYSA-N 378.435 4.677 0 40 GJAB O=C(Nc1cccc2ccccc12)/C(=C/c1ccco1)NC(=O)c1ccccc1 6222722 BMEISJYSURBRKC-JWGURIENSA-N 382.419 4.842 0 40 GJAB CCOc1ccc2nc(NC(=O)c3cc(=O)c4cc(C)c(C)cc4o3)sc2c1 6811439 BDTJDXBHPWPPOE-UHFFFAOYSA-N 394.452 4.671 0 40 GJAB CCc1cccc(CC)c1NC(=O)CN(C)Cc1ccccc1Br 6881229 KPYQGSHROURUJS-UHFFFAOYSA-N 389.337 4.644 0 40 GJAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)cc1 6883012 SEKTXTXUGBBEJZ-UHFFFAOYSA-N 382.297 4.730 0 40 GJAB COc1ccc(C)cc1-n1ccnc1SCC(=O)Nc1cc(C)cc(C)c1 7391336 JFVURODOLUITRF-UHFFFAOYSA-N 381.501 4.537 0 40 GJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1F 7789852 GHXVGYFEMAYACT-UHFFFAOYSA-N 392.459 4.875 0 40 GJAB C[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(-n2ccnc2)cc1 7985299 QXLKZGAUXWVSTB-HNNXBMFYSA-N 383.879 4.538 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3cccs3)C3CCCCC3)c(=O)[nH]c2c1 9498760 BPPDPXVXKUEPRO-UHFFFAOYSA-N 380.513 4.873 0 40 GJAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl 10275749 KBTWPNABMVUMDY-ZDUSSCGKSA-N 381.925 4.686 0 40 GJAB CCc1cccc(C)c1NC(=O)COC(=O)c1cc2cc(Cl)ccc2nc1C 10468447 DNICBKCTEZVLMG-UHFFFAOYSA-N 396.874 4.863 0 40 GJAB COc1cc(C)c(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC 11645899 HOLUQXPBLMPTAA-UHFFFAOYSA-N 387.439 4.603 0 40 GJAB Cc1noc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)C(C)C)cc2)c1C 12182255 QOMAOXPLORUVGL-UHFFFAOYSA-N 392.503 4.811 0 40 GJAB COc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)ccc1OC(C)C 12345300 ICXFAVTXFRSQJB-QRQCMCJISA-N 399.506 4.636 0 40 GJAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C 12539307 XVMCFMVJDWZZKO-QFIPXVFZSA-N 391.515 4.806 0 40 GJAB Cc1sc2ncnc(N[C@@H](C)C(=O)Nc3ccc4ccccc4c3)c2c1C 12681888 HCUHVUHEKINQOU-ZDUSSCGKSA-N 376.485 4.900 0 40 GJAB CC(C)N1CCC(NC(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 12824562 DRJPVVIANIEPBN-UHFFFAOYSA-N 379.529 4.566 0 40 GJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 12982205 SSGJFHLYPPBOOR-MAUKXSAKSA-N 392.952 4.757 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(Br)cc2)cc1 12996789 LSUBKAXHQHVEIC-CQTFCRGUSA-N 386.289 4.835 0 40 GJAB COc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc(Cl)c1OC 14228029 BMWOBSSTNNNSES-UHFFFAOYSA-N 389.835 4.651 0 40 GJAB COc1ccc(Br)cc1CN(C)C(=S)Nc1c(C)cccc1C 16316639 CCWQHOMKIQMAQO-UHFFFAOYSA-N 393.350 4.903 0 40 GJAB O=C(CC1(O)CCCCC1)N1CCC[C@@H]1c1ccc(Cc2cccc(F)c2)cn1 19688553 WLYZXGXVLUUFBL-JOCHJYFZSA-N 396.506 4.560 0 40 GJAB Cc1c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cccc1C(=O)O 20143674 AQGQSVHAFHKHNY-UHFFFAOYSA-N 399.402 4.719 0 40 GJAB CCOc1cccc(CN[C@@H](C)[C@@H](O)c2ccccc2)c1OCc1ccccc1 22076884 FIDVHXZAKYEHDZ-YADARESESA-N 391.511 4.876 0 40 GJAB O=C(OCc1cc(-c2cc3ccccc3o2)on1)c1cc(=O)c2ccccc2o1 22769083 COSCAARDTLZUCS-UHFFFAOYSA-N 387.347 4.551 0 40 GJAB CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCC(C)CC3)c(O)n2n1 22853269 UNTAOCUMUUIHQC-MRXNPFEDSA-N 390.940 4.534 0 40 GJAB COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(OC)c1C 23548765 RPOOISLXBPTUGE-HNNXBMFYSA-N 396.512 4.642 0 40 GJAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(Br)s1 24391602 FRHSCAPROCBJPG-UHFFFAOYSA-N 393.350 4.773 0 40 GJAB O=C(c1ccc2c(c1)OCCCO2)N1CCc2sccc2[C@H]1c1ccccc1 25898885 YGTKJRPZZIIMGW-JOCHJYFZSA-N 391.492 4.697 0 40 GJAB Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)o2)c(C)c1Cl 27981202 RUEWNWYJQFTELK-GOSISDBHSA-N 383.879 4.602 0 40 GJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc(Br)c1 28303582 OVMXZMHYSOKNBK-UHFFFAOYSA-N 390.668 4.600 0 40 GJAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3Cl)c2)o1 29884915 KKQHUMVPIQXLHI-KBXCAEBGSA-N 383.879 4.573 0 40 GJAB Cc1ccc(Oc2ccccc2NC(=O)[C@H](C)NC(=O)c2cccs2)cc1 31296948 MHYPXXKOEDKBEX-HNNXBMFYSA-N 380.469 4.606 0 40 GJAB C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)n1c(=S)[nH]c2ccccc2c1=O 32032788 ILEKFESYNXDVMW-CYBMUJFWSA-N 381.501 4.556 0 40 GJAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)c1C 32833745 IJNQFNFVJLIIQQ-UHFFFAOYSA-N 396.512 4.695 0 40 GJAB Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3ccc(Cl)cc3)[nH]c2c1 33063724 FYKYGAFQYJSIFB-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccccc2Cl)CC1 39760976 HCFZSGCMTYILKB-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB OC1=Nc2c(ncn2-c2ccc(OC(F)(F)F)cc2)[C@@H](c2cccc(O)c2)C1 40268125 QLJGLZVCMHLDEU-OAHLLOKOSA-N 389.333 4.600 0 40 GJAB O=C(NCc1coc(-c2cccs2)n1)c1cccnc1Nc1cccc(F)c1 45031166 NCXREJALKKEMAD-UHFFFAOYSA-N 394.431 4.611 0 40 GJAB CN(Cc1ccc(Br)s1)C(=O)Cc1cccc(C(F)(F)F)c1 45603856 AEMWNBBOTGBLAO-UHFFFAOYSA-N 392.240 4.731 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1ccccc1Cl)CO2 55393759 IZMMECCKVACHIO-UHFFFAOYSA-N 381.859 4.596 0 40 GJAB CCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1 57486566 ZOLOPCPKFSUIGM-UHFFFAOYSA-N 390.418 4.545 0 40 GJAB Oc1nc(CN2CCc3sccc3[C@@H]2c2ccccc2)nc2ccsc12 58175556 JSWQTRHYXRRDRT-SFHVURJKSA-N 379.510 4.606 0 40 GJAB Clc1cncc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)n1 58415596 WVKSMUTWZIJBKM-UHFFFAOYSA-N 375.863 4.654 0 40 GJAB Fc1ccc(-c2nnc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)o2)cc1 65185370 DSBOHHNRGFKWMP-UHFFFAOYSA-N 390.296 4.535 0 40 GJAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1C 67259604 VVKAIFJHEMOKNC-UHFFFAOYSA-N 376.481 4.947 0 40 GJAB CN(c1ccccc1)c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72214298 XNFZIBGQMAAGNE-UHFFFAOYSA-N 383.492 4.727 0 40 GJAB Cc1ccnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)c1 79479040 ANLRITUMXGODDN-NRFANRHFSA-N 391.515 4.537 0 40 GJAB O=c1[nH]c(Cc2ccc(OC(F)(F)F)cc2)nc2sc3c(c12)CCCS3 84404855 BVQONWVSLHPGHJ-UHFFFAOYSA-N 398.431 4.512 0 40 GJAB Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cccc(-n2cccc2)c1 95450881 VSIVESIBKHLOSA-UHFFFAOYSA-N 386.480 4.979 0 40 GJAB O=C(O)c1ccc2c(c1)C1(CCCCC1)CN2C(=O)CCc1ccc(F)cc1 96156876 FJOYWOVQIFAFAK-UHFFFAOYSA-N 381.447 4.705 0 40 GJAB O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)c1ccc(Cl)cc1 136013284 ATOSUXRGBJUQKS-CXUHLZMHSA-N 392.263 4.913 0 40 GJAB CCn1c(C)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21 216101400 FYPWBTLTWXNPAO-UHFFFAOYSA-N 382.514 4.528 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCCC[C@@H]1CC 216181352 HIKUCQBJKAFRKW-GMAHTHKFSA-N 382.548 4.768 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cccc(C)c1C 219366814 BYPOMFLNIALPNP-NRFANRHFSA-N 383.532 4.999 0 40 GJAB O=C(CSc1nc2ccccc2o1)N1CCS[C@@H](c2cccs2)CC1 219463104 XQFNGEVHXPTSKM-MRXNPFEDSA-N 390.555 4.688 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 222681256 CWFSVTMQBMOWOX-KRWDZBQOSA-N 395.499 4.928 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 222931151 RMGXHVGADZRGJS-SFTDATJTSA-N 394.519 4.640 0 40 GJAB CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Br)cc1 223725127 JJTLRMWIFCFUGW-UHFFFAOYSA-N 396.350 4.567 0 40 GJAB CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224936715 OARWORIRRUQLFI-UHFFFAOYSA-N 394.707 4.871 0 40 GJAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)N[C@H](C)c2ccc(F)cc2)n1 225205592 SRFGECHVUDSCCE-CYBMUJFWSA-N 399.470 4.854 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CCCc2cc(OC)ccc21 225366177 VRRZMMIDTVWDMX-RPWUZVMVSA-N 393.527 4.925 0 40 GJAB CC(C)Oc1ccc(NC(=S)NCCSCc2ccccc2F)cc1 225413873 NEKCCCOUTFRXBR-UHFFFAOYSA-N 378.538 4.833 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)c1cc2cccc(Cl)c2oc1=O 226039005 IFHCBGXHRFNPBU-UHFFFAOYSA-N 382.630 4.683 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(O)cc3)N21 260762930 HVNHJGGOJWWVHH-LPTQZCDUSA-N 390.512 4.557 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc(O)cc3)N21 260762936 HVNHJGGOJWWVHH-NQERJWCQSA-N 390.512 4.557 0 40 GJAB CCc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 408629250 SALVSJBYLOMYBD-OAHLLOKOSA-N 384.545 4.813 0 40 GJAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2csc(-c3ccccc3)n2)C1 575616539 JXJCTCJOHAYTFI-QGZVFWFLSA-N 388.496 4.555 0 40 GJAB COc1cccc(CN(C(=O)Cc2cscn2)C23CC4CC(CC(C4)C2)C3)c1 622820496 DIBJHQWDSBJPLV-UHFFFAOYSA-N 396.556 4.692 0 40 GJAB C[C@@H]1COCC[C@@H]1c1noc(C2(c3cccc(OC(F)(F)F)c3)CCC2)n1 656019683 MTCBYIMJPFEPHX-DOMZBBRYSA-N 382.382 4.578 0 40 GJAB CC1(c2cc(NC(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)no2)CCCC1 683949466 UCHSFIWHGJFHNJ-UHFFFAOYSA-N 391.475 4.704 0 40 GJAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@H](c3ccc4ncccc4c3)C2=C1O 1547205952 AZOJDNFYXPCWIF-NRFANRHFSA-N 394.434 4.566 0 40 GJAB CCSc1nnc2c(n1)O[C@@H](c1ccsc1)N(C(=O)CC)c1ccccc1-2 684700 VFVFLTGGLVCBEU-SFHVURJKSA-N 398.513 4.546 0 40 GJAB COc1cc(O)c(-c2nc(C)nc(C(F)(F)F)c2-c2csc(C)n2)cc1C 1084306 NMTPUMDMVVFLGZ-UHFFFAOYSA-N 395.406 4.925 0 40 GJAB CCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2cccs2)cc1 1369130 SBOOOUKSUDFDPX-RTBURBONSA-N 399.560 4.854 0 40 GJAB O=C1C[C@H](c2ccccc2Cl)Cc2nc(N3CCc4ccccc4C3)ncc21 2416562 ZTMQTUUPAQBIHX-QGZVFWFLSA-N 389.886 4.605 0 40 GJAB Cc1ccc2c(CC(=O)Nc3ccc(I)cc3)coc2c1 2647614 BFMBAGTTXSAODQ-UHFFFAOYSA-N 391.208 4.527 0 40 GJAB Cc1sc2ncnc(SCC(=O)Nc3ccccc3OC(F)F)c2c1C 3289472 RRYFNXUUJYHIAL-UHFFFAOYSA-N 395.456 4.640 0 40 GJAB Cc1cc(C)n2nc(SCC(=O)c3ccc(C4CCCCC4)cc3)nc2n1 3352059 HCZUUHBOXSXKGH-UHFFFAOYSA-N 380.517 4.764 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21 3648691 QRLDXKBTXDOZLM-HZPDHXFCSA-N 380.513 4.723 0 40 GJAB C=C1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 4024886 YCDZXIYKJHQMIG-WSVRGUTQSA-N 384.516 4.575 0 40 GJAB biogenic CCCCNC(=S)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 4132607 DGMHDKYXFIQUOW-UHFFFAOYSA-N 385.577 4.646 0 40 GJAB COc1ccc(-c2csc(NC(=O)CSc3ccccc3)n2)cc1OC 4496633 OQPZSQIDIOSBOP-UHFFFAOYSA-N 386.498 4.558 0 40 GJAB Cc1ccc2o/c(=N\Nc3ccccc3)c(C(=O)NC3CCCCC3)cc2c1 4599081 ZRPMGUBEFWGKPG-RWEWTDSWSA-N 375.472 4.732 0 40 GJAB CCCCc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1 4682370 XLIRHYOVRRUMFW-UHFFFAOYSA-N 391.334 4.919 0 40 GJAB CCCCOc1ccc(CNC(=S)NCc2ccc(OCCC)cc2)cc1 4825492 BSZNRXXFKLUMSC-UHFFFAOYSA-N 386.561 4.819 0 40 GJAB COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 5054987 MDQRSJRTDADJDZ-UHFFFAOYSA-N 389.860 4.942 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2cn3ccsc3n2)c1 5083481 LOPNEICKJKTPMX-UHFFFAOYSA-N 383.860 4.977 0 40 GJAB COc1ccc(Cl)cc1C(=O)NCCc1csc(-c2cccc(F)c2)n1 5137460 GMCWUMKHXPPARS-UHFFFAOYSA-N 390.867 4.584 0 40 GJAB COc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1OC 5169378 ICYUWKSKIRREMH-UHFFFAOYSA-N 395.842 4.841 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)c(Cl)c1 5309701 ZOTSXVCQCSDVKC-UHFFFAOYSA-N 381.288 4.612 0 40 GJAB CCOC(=O)[C@@H]1CCCN(C(=O)N2c3ccccc3Sc3ccccc32)C1 5561396 CEVIWJQBCSMWNQ-OAHLLOKOSA-N 382.485 4.684 0 40 GJAB Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2cccc(C)c2)cc1 6720311 SALFRPOHLBLOIS-UHFFFAOYSA-N 392.462 4.855 0 40 GJAB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(F)cc2)N1c1ccc(F)cc1 6856616 HAZOFFAHGHEMFH-JOCHJYFZSA-N 377.394 4.893 0 40 GJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Br)c(C)n2)cc1 6940269 FFDOTONOSOXPDX-LBPRGKRZSA-N 377.282 4.684 0 40 GJAB O=c1c2ccccc2[nH]c(=S)n1CCCCCc1nc(-c2cccs2)no1 7047561 AHRUEZIKRRUQJL-UHFFFAOYSA-N 398.513 4.584 0 40 GJAB O=C(CSc1ncnc2ccccc12)N[C@H](c1ccccc1)c1cccs1 7151896 LRSXFFZXIZEXLY-HXUWFJFHSA-N 391.521 4.689 0 40 GJAB Cc1c(Cl)cccc1N(CC(=O)c1ccc(F)cc1)C1=NCCCS1 7277564 ZSJSUTIXEYYMGP-UHFFFAOYSA-N 376.884 4.970 0 40 GJAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 7548009 UDRABYMDGCPEPN-UHFFFAOYSA-N 399.443 4.602 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2)c(OCC)c1 7601314 OMJQVDBUWJMZPH-UHFFFAOYSA-N 398.532 4.615 0 40 GJAB CCCCNc1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)s1 7779861 RNTWEQUFZHEPFY-UHFFFAOYSA-N 391.349 4.788 0 40 GJAB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)c1 8673488 MJTKHUHGDKVJRD-HXUWFJFHSA-N 387.907 4.543 0 40 GJAB COc1ccccc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 10507431 ZVPLURHFTZAQBF-UHFFFAOYSA-N 376.416 4.533 0 40 GJAB Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccs1 10709325 YRZKTAKEPBQRFW-UHFFFAOYSA-N 399.328 4.581 0 40 GJAB CCCN(Cc1nnc(-c2cccs2)o1)Cn1c(=S)n(C)c2ccccc21 12544176 QCKQYRILNFCTKO-UHFFFAOYSA-N 399.545 4.690 0 40 GJAB CSc1nc(C)c(CC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)s1 12544551 AVAHQNMSNSIQFI-UHFFFAOYSA-N 394.525 4.669 0 40 GJAB C[C@H](SCC(=O)Nc1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1 12628298 REMSVHZTNUHYCT-INIZCTEOSA-N 394.544 4.986 0 40 GJAB COc1cccc(CNC(=O)c2cccnc2Sc2ccccc2Cl)c1 12783077 NPFUFSLFBRTVLP-UHFFFAOYSA-N 384.888 4.825 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 12786090 GSESJJJONDWMCH-HTAPYJJXSA-N 377.509 4.998 0 40 GJAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)[C@@H]1COc2ccccc2C1 12938249 BRTVPWGUDXTPGA-AWEZNQCLSA-N 392.436 4.853 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)CC(C)C)cc1 14404926 LVUAKDLKSDQOCT-UHFFFAOYSA-N 390.487 4.726 0 40 GJAB c1coc(-c2cc(CSc3nnc(NCCc4cccs4)s3)no2)c1 14703977 BCUSHNCOYRDNFC-UHFFFAOYSA-N 390.515 4.795 0 40 GJAB COc1ccc([C@H]2CC(O)=Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1O 15082133 WQMJEICGMAABLJ-CYBMUJFWSA-N 395.436 4.951 0 40 GJAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccccc1Cl 15627227 WQUJOYVRUZUQIM-UHFFFAOYSA-N 375.859 4.919 0 40 GJAB COc1cc(CN(C)C(=O)c2ccc(C)s2)ccc1OCc1ccccc1 18134659 FUBJBAHSIHXVJH-UHFFFAOYSA-N 381.497 4.916 0 40 GJAB Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(Cc2cccs2)C1 19289301 YDAJKGRVJMQIJE-KRWDZBQOSA-N 384.574 4.549 0 40 GJAB Cc1ncsc1-c1nc(NCCCOC(C)C)ncc1-c1ccc(F)cc1 19562390 SUJSEPWCGFHICJ-UHFFFAOYSA-N 386.496 4.942 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(OC)cc1 20494771 VXQZUJXNQADHLC-LJQANCHMSA-N 377.937 4.968 0 40 GJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 20609900 ZLAJXHNAZHVVMN-MRXNPFEDSA-N 386.455 4.850 0 40 GJAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)C1 21741605 MAWWDUVYOJUCIG-HZSPNIEDSA-N 393.603 4.648 0 40 GJAB Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)[nH]n2)cc1 22989243 BWVZCVWRUBXFGK-HNNXBMFYSA-N 388.427 4.662 0 40 GJAB CC1(C)C[C@@H]([C@H](CCNCc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 26532612 PWNDMUMGAWMMEF-YADHBBJMSA-N 395.543 4.959 0 40 GJAB Cc1oc2cc3oc(=O)c(CCC(=O)N4CCC(C)CC4)c(C)c3cc2c1C 30819221 QBOMWLNAAMPOHS-UHFFFAOYSA-N 381.472 4.656 0 40 GJAB CSc1ccc([C@@H](C)NC(=O)Cc2csc(-n3c(C)ccc3C)n2)cc1 40133773 ZMCYLDLCJQADCP-OAHLLOKOSA-N 385.558 4.692 0 40 GJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1C 41077054 FXKULPRBTSOEHI-UHFFFAOYSA-N 383.879 4.934 0 40 GJAB Brc1ccc(-c2csc(Cc3nc(-c4ccncc4)no3)n2)cc1 67246081 RNYMXMRZJRXMCJ-UHFFFAOYSA-N 399.273 4.608 0 40 GJAB O=c1c2ccccc2nc(SCCc2ccccc2)n1-c1ccc(F)cc1 67259192 RZPNILQBWIHAFC-UHFFFAOYSA-N 376.456 4.860 0 40 GJAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCCc1ccccc1 71326384 IJHLXIGAMGDVFY-UHFFFAOYSA-N 386.908 4.606 0 40 GJAB Cc1nnc(-c2cccc(NC(=O)c3cc(Cc4ccccc4)ccc3O)c2)o1 78947191 NHQIXZRBBBTBFX-UHFFFAOYSA-N 385.423 4.594 0 40 GJAB O=C(CCc1ccc(Cl)nc1)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 95452365 CISCRGSDLFHDQY-UHFFFAOYSA-N 390.874 4.527 0 40 GJAB O=C(NCc1nc2ccccc2s1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 95469939 MQQUVYAUJJNQJV-CHWSQXEVSA-N 376.403 4.735 0 40 GJAB OC1(c2ccccc2F)C[C@H]2CC[C@H](C1)N2Cc1c(C2CC2)[nH]c2ncccc12 100736617 VZLCCSAUDQLNCF-IAGOWNOFSA-N 391.490 4.594 0 40 GJAB C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1 100821483 LJMBTQFWGCRPKW-NZQKXSOJSA-N 387.866 4.836 0 40 GJAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1[C@@H](C)CCC[C@H]1c1ccccc1 107075826 KDIWGMNOUXGBKU-NWVWQQAFSA-N 390.527 4.665 0 40 GJAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccccc1OCc1ccccc1 218987330 TUCMFVWGILEOAT-IBGZPJMESA-N 375.468 4.771 0 40 GJAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc3c(c1)CCCC3)CC(C)(C)O2 222576401 UEVFWRKCFLLVFI-NRFANRHFSA-N 379.500 4.671 0 40 GJAB COc1cccc(OCc2cc(C(=O)N(C)Cc3ccccc3)ccc2OC)c1 224256590 JRMMYPNBAGZBDA-UHFFFAOYSA-N 391.467 4.555 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)SCc3ccccc3)ccc21 225132052 YRVYNIZHRLEAIK-AWEZNQCLSA-N 386.542 4.904 0 40 GJAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCCC2=CCCCC2)n1 225203466 UKZJELFYDLSCDU-UHFFFAOYSA-N 385.512 4.845 0 40 GJAB CCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225575233 VDRJAWUIKCQIEJ-UHFFFAOYSA-N 390.886 4.729 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225802275 GRIAZFITXJKVGG-ZHRRBRCNSA-N 393.524 4.965 0 40 GJAB CCCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1C(=O)OCC 225806341 KCXPIPGINGOALU-UHFFFAOYSA-N 391.508 4.720 0 40 GJAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225844433 KUEYSMJIOJMRDZ-UHFFFAOYSA-N 393.524 4.678 0 40 GJAB O=C(O)c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)cc1O 226346753 DDTIWTYMDVPOPG-UHFFFAOYSA-N 392.032 4.739 0 40 GJAB CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 409010336 JWSKHYOUOAQNIQ-CCRNYGKSSA-N 398.890 4.919 0 40 GJAB CCCN1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 409238018 YPNICIIRAXITSM-RVDMUPIBSA-N 380.391 4.942 0 40 GJAB C[C@@H]1C[C@@H](CCNC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)CCO1 543381930 VKISFIYNGZJYGP-MSYCTHLASA-N 378.516 4.701 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1csc(-c2ccccc2)n1 585148301 XOUGAAGFUBTQCI-IBGZPJMESA-N 390.464 4.534 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)NC[C@H]2CCOC2(C)C)cc1F 665852286 FDICIDSTJRCOAJ-CQSZACIVSA-N 388.439 4.563 0 40 GJAB O=C1NCCc2cc(NCc3cccc(OCCCc4ccccc4)c3)ccc21 1179135217 JTJNJHUMDAJJLG-UHFFFAOYSA-N 386.495 4.596 0 40 GJAB COc1ccc(-c2nc(NCCc3ccc(OC)c(OC)c3)sc2C)cc1 667838 CMGQYPBGGYFNOP-UHFFFAOYSA-N 384.501 4.799 0 40 GJAB Clc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1Cl 1282696 CNWSESCCAOUBMQ-UHFFFAOYSA-N 375.259 4.517 0 40 GJAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1 2398493 UMTHLOUFNYJJTQ-DFBJGRDBSA-N 381.840 4.673 0 40 GJAB O=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccccc1C(F)(F)F 2723630 XTNHCYLLJPYHKR-UHFFFAOYSA-N 395.381 4.761 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nc2cc(C)ccc2[nH]1 3217123 AAJUZQDGPUVWHI-UHFFFAOYSA-N 383.517 4.908 0 40 GJAB Cc1coc2cc3oc(=O)c(CC(=O)NC[C@@H](C)c4ccccc4)c(C)c3cc12 4084894 CBJJKBFZOVCIDT-CQSZACIVSA-N 389.451 4.618 0 40 GJAB biogenic COc1ccc(-c2nc(CCNC(=O)c3c(F)cccc3Cl)cs2)cc1 4167102 BAFYEKUIMUWHDN-UHFFFAOYSA-N 390.867 4.584 0 40 GJAB O=C(CSc1nc2ccccc2nc1-c1ccccc1)NC1CCCCC1 4303497 GCYWFSSMFMAQJK-UHFFFAOYSA-N 377.513 4.838 0 40 GJAB COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C)c2)c1O 4729109 LTRCRCXPTSAJRU-BUHFOSPRSA-N 384.435 4.579 0 40 GJAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)n1 4832903 WOWFPNRGXLWOHZ-JOQOYGCGSA-N 387.936 4.502 0 40 GJAB O=C(c1ccc(F)cc1)c1cn(Cc2ccccc2F)c2ccccc2c1=O 4936932 DOEUVBYGKPCHTF-UHFFFAOYSA-N 375.374 4.559 0 40 GJAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccco1 5106924 DPRDXCRMHJENOJ-UHFFFAOYSA-N 390.395 4.929 0 40 GJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(F)cc1 5268349 CCEKXMMTKSHKPD-UHFFFAOYSA-N 383.444 4.912 0 40 GJAB CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(C)C3=O)o2)cc1 6323238 ORBIWIKCDOADOD-SFQUDFHCSA-N 385.441 4.570 0 40 GJAB COc1ccc(-c2c(C)nn3c(Nc4ccc(F)cc4)cc(C)nc23)cc1OC 7636183 WYBXCNZPEDEADV-UHFFFAOYSA-N 392.434 4.913 0 40 GJAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)ccc1O 7883952 QISAVLWKUPICBU-HSZRJFAPSA-N 388.467 4.866 0 40 GJAB CCOCCCNCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 8253147 KCNLRFHXTUCPQT-UHFFFAOYSA-N 377.912 4.834 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)N(C)CC(=O)Nc2c(C)cccc2C)CC1 8393500 VBZBFXVZAJJMOF-UHFFFAOYSA-N 387.568 4.878 0 40 GJAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c(OC)c1 9356269 RURPCSNGCKAROP-UHFFFAOYSA-N 387.439 4.808 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 9467749 QLBDCSNOUDVYJE-JOCHJYFZSA-N 383.451 4.732 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)Nc2nc3ccccc3s2)cc1OCC 9711617 SAMOPVOTOFWWCI-CYBMUJFWSA-N 385.489 4.976 0 40 GJAB C[C@]1(C(=O)NCCCn2c3ccccc3c3ccccc32)CC1(Cl)Cl 12402154 YDUSUCVUBQBXTA-LJQANCHMSA-N 375.299 4.885 0 40 GJAB CC(=O)CCc1ccc(Oc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 12406901 NWQVVQMWKRHIRF-UHFFFAOYSA-N 392.846 4.759 0 40 GJAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4C)c3)cn2n1 12441243 KXHINCCZYHTKLM-UHFFFAOYSA-N 392.846 4.619 0 40 GJAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 12536158 LXMUGQLIRYPFKS-UHFFFAOYSA-N 398.484 4.630 0 40 GJAB Fc1ccc(NC(=S)NNc2ccnc3cc(Cl)ccc23)cc1Cl 12550114 OBYNOPUZAAJSNO-UHFFFAOYSA-N 381.263 4.994 0 40 GJAB FC(F)(F)c1ccc(NC(=S)N2CCCC[C@@H]2CCN2CCCC2)cc1 13692166 UYVRBTQPLWHTIX-QGZVFWFLSA-N 385.499 4.743 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccc(F)cc1Cl 13695033 ZNVLAOGDTPCVFV-UHFFFAOYSA-N 386.854 4.811 0 40 GJAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(OC)c(C)c1 13971743 ABGRDOXOFFFCRZ-UHFFFAOYSA-N 395.480 4.700 0 40 GJAB C[C@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccc(-c2ccccc2)cc1 14165860 DKSTYFBQEUKHFM-SFHVURJKSA-N 388.515 4.955 0 40 GJAB Cc1ccc(Nc2nc(N)nc(CSc3cc(C)c4ccccc4n3)n2)cc1 15590260 OGVOFJDDUBTHGP-UHFFFAOYSA-N 388.500 4.655 0 40 GJAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2nccs2)cc1 15728935 AFVRTQAACWMGSB-UHFFFAOYSA-N 380.425 4.826 0 40 GJAB biogenic COc1ccc(OCCCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 16005241 SGLBHMVVLGGJRC-UHFFFAOYSA-N 385.794 4.748 0 40 GJAB CCc1nnc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)n1CC 20034341 PBPQPHBRVGQFFE-UHFFFAOYSA-N 384.292 4.510 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(C[C@@H](C)c1ccccc1)CO2 20502149 GIOFOOIUXPGYSL-OAHLLOKOSA-N 375.468 4.546 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H](NCc2nc3ccccc3n2C)c2ccccc2)c1 25054979 ILGICLCWYYZAFF-XMMPIXPASA-N 398.510 4.660 0 40 GJAB Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)C(C)C 27408989 KPZPTUCRMSFCRI-MBSDFSHPSA-N 388.511 4.780 0 40 GJAB CN(C(=O)c1cncc(Br)c1)C(c1ccccc1)c1ccccc1 29234583 JMHKSYCEIHDCRF-UHFFFAOYSA-N 381.273 4.706 0 40 GJAB Cc1ccc(-c2nc(C[S@@](=O)CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1 32801510 ZSQLVVRJSTZZAL-MHZLTWQESA-N 398.553 4.623 0 40 GJAB COc1ccc(C(=O)Nc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)cc1 33012737 CSNYZEWCXRBGQT-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB Cc1ccccc1NC(=O)Nc1ccc2c(c1)C(=O)c1c(C(C)(C)C)nn(C)c1-2 33808215 RNQCIMAYXUALOD-UHFFFAOYSA-N 388.471 4.881 0 40 GJAB CCCCC(=O)Nc1cc(-c2nc(-c3ccc(OCC)cc3)cs2)nn1C 35683051 LZMOWSIKPYCCRH-UHFFFAOYSA-N 384.505 4.738 0 40 GJAB COc1cc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc(OC)c1OC 40096199 JNODNYFPQNUOEO-LBPRGKRZSA-N 378.856 4.591 0 40 GJAB COc1ccc(CN2CCC[C@@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 72379123 MVHIAGSPBUYBGR-HXUWFJFHSA-N 390.531 4.779 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Oc3cccc4[nH]ccc34)nc2)cc1OC 72406095 ZAEOFBLTSXJSIY-UHFFFAOYSA-N 389.411 4.625 0 40 GJAB Cc1cccc(-n2c(C)nnc2SC[C@@H](O)c2ccccc2C(F)(F)F)c1 84213268 LOZFEMDRYVKZAY-QGZVFWFLSA-N 393.434 4.729 0 40 GJAB O=C1NC(=O)/C(=C\c2ccc(-c3ccccc3C(=O)c3ccccc3)o2)S1 96191238 HGXDMYUWWONVAW-LDADJPATSA-N 375.405 4.502 0 40 GJAB CC(C)CCNC(=O)c1cnc(-c2noc3cc(NCC4CC4)ccc23)s1 96266611 DHFGUXVZGNVGCE-UHFFFAOYSA-N 384.505 4.549 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1ccco1 223339864 NXVXNKIGLCBGAV-SFTDATJTSA-N 392.528 4.764 0 40 GJAB CCCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223368163 KLKGTISWLBKAOZ-NZQKXSOJSA-N 394.559 4.650 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cccc2ccccc12 223556941 HKQICLGHBYIDAK-HXUWFJFHSA-N 383.875 4.846 0 40 GJAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)c1ccc(-c2ccccc2)cc1 225244688 MAENKOJLPSDQJL-PXLXIMEGSA-N 389.524 4.892 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(OC)cc1 225486943 SCLMNFOJJQOTTI-INIZCTEOSA-N 379.323 4.895 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccc(C)cc1 225640519 CHJMEGKPMWNVST-JPYJTQIMSA-N 381.516 4.615 0 40 GJAB Cc1ccccc1-c1noc(CN(C)C(=O)C2(c3ccccc3)CCCC2)n1 225779144 XZYXJBQVGGUVMJ-UHFFFAOYSA-N 375.472 4.515 0 40 GJAB CCCOc1ccccc1CCCNC(=O)c1ccc(OCC)c(Cl)c1 225834053 IIYVKTRMJDDEPN-UHFFFAOYSA-N 375.896 4.890 0 40 GJAB Cc1c(C=O)c2ccccc2n1C(=O)c1cc(Br)ccc1Cl 226366814 WYCMFHSDSJSSCE-UHFFFAOYSA-N 376.637 4.867 0 40 GJAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 408819442 SEESKHOWLDGXHH-UHFFFAOYSA-N 398.895 4.603 0 40 GJAB C[C@H]1CN(c2cc(F)cc(NCc3c[nH]nc3-c3ccsc3)c2)C[C@@H](C)O1 514607930 GWFAYZOXYNLHRJ-OKILXGFUSA-N 386.496 4.503 0 40 GJAB O=C1CCc2cc(F)c(NC(=O)N3C[C@H](c4ccccc4)C4(CCC4)C3)cc2N1 562787478 ONXAEOPXAOBFPN-QGZVFWFLSA-N 393.462 4.512 0 40 GJAB CC1(C)C[C@@H](C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)c2ccccc2O1 1635639462 DNPBCXAVCBEBIZ-MRXNPFEDSA-N 383.398 4.638 0 40 GJAB O=C1OC(c2ccccc2Br)=N/C1=C\c1ccccc1C(F)(F)F 1511123 AEGAAAQODQKKMK-ZROIWOOFSA-N 396.162 4.812 0 40 GJAB COc1ccc(-n2c(-c3ccccc3C)nc3nc4ccccc4nc32)cc1OC 2220076 VTQWSXKIUMKOAN-UHFFFAOYSA-N 396.450 4.961 0 40 GJAB CC(C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 2262037 LXDZYDGDJILNMD-UHFFFAOYSA-N 386.542 4.799 0 40 GJAB COc1ccccc1-c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1 2425122 YZDBOKNXMQGGNT-UHFFFAOYSA-N 377.256 4.835 0 40 GJAB COc1ccc(CN(C[C@@H](O)COc2cccc3[nH]cc(C)c23)C(C)(C)C)cc1 3109436 TYUMCLALIPLROE-LJQANCHMSA-N 396.531 4.525 0 40 GJAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](c1cccs1)N1CCCC1 3206329 LETUGUIGNHRAIJ-CXAGYDPISA-N 379.982 4.914 0 40 GJAB CCN(Cc1ccccc1)C(=O)COC(=O)c1sc2ccccc2c1Cl 3226532 ALEDEGAXILJSPH-UHFFFAOYSA-N 387.888 4.760 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CSc1nc2cc(Cl)ccc2o1 3263274 JMUJXNORZMKCNY-UHFFFAOYSA-N 383.256 4.874 0 40 GJAB Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1Cc1cccs1 3296119 MQMSDWBTQHVOBF-UHFFFAOYSA-N 389.423 4.533 0 40 GJAB O=C(CCCSc1nnc(-c2ccco2)o1)c1ccc(Br)cc1 3319316 QVDZSTWCWSSJEZ-UHFFFAOYSA-N 393.262 4.847 0 40 GJAB COc1cccc(Nc2nnc(SCC(=O)c3ccc(Cl)cc3)s2)c1 3439597 GMIULUCCVGHQBY-UHFFFAOYSA-N 391.905 4.919 0 40 GJAB CCOc1ccccc1NC(=O)CCCc1nc(-c2ccccc2Cl)no1 4433536 FWQVICWBDQZZJB-UHFFFAOYSA-N 385.851 4.750 0 40 GJAB COc1ccccc1-c1nnc(SC[C@@H]2CCCCO2)n1-c1ccccc1 5736401 FDYJUAZPHVGSNZ-KRWDZBQOSA-N 381.501 4.604 0 40 GJAB O=C(COC(=O)/C=C/c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 6053722 FTWQHZRWXNBBHJ-RMKNXTFCSA-N 383.753 4.554 0 40 GJAB Cc1ccc2[nH]c(SCC(=O)c3cc(C)n(-c4nccs4)c3C)nc2c1 6292265 AANITJHIQMRIKS-UHFFFAOYSA-N 382.514 4.710 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc(OC(C)C)cc3)n2)cc1OC 6307224 VYQXEJOYYFFEIR-UHFFFAOYSA-N 398.484 4.867 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1F 6998090 DMVDNYUILZZUMH-HXUWFJFHSA-N 396.849 4.979 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112830 BBBQWPLNHMQMQU-QHCPKHFHSA-N 398.466 4.849 0 40 GJAB c1csc(-c2noc(CSc3nnc(-c4c[nH]c5ccccc45)o3)n2)c1 7160975 GBOMTJFSHGVGQV-UHFFFAOYSA-N 381.442 4.622 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(SCc3nnc(-c4ccco4)o3)o2)cc1 7161115 GPZNIQHZDSBMCV-UHFFFAOYSA-N 382.445 4.969 0 40 GJAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccnn1Cc1cccs1 7793767 IQIUKFIZODNKRQ-UHFFFAOYSA-N 389.908 4.752 0 40 GJAB Cc1cccc(NC2=NN=C(c3cc(C)n(C[C@@H]4CCCO4)c3C)CS2)c1 7849862 FSSBPIQZPUNYQT-SFHVURJKSA-N 382.533 4.511 0 40 GJAB CC(C)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7981007 HDBNBLBNJDAISE-KRWDZBQOSA-N 384.907 4.954 0 40 GJAB CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2C=CCC2)c2c[nH]c3ccccc23)cc1 8746778 HWNQVONOMBCQJN-GCJKJVERSA-N 387.527 4.838 0 40 GJAB Cc1nc(-c2nc(NCc3ccccn3)ncc2-c2ccsc2)sc1C 12222926 YCRGVOXPXGJLEG-UHFFFAOYSA-N 379.514 4.953 0 40 GJAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C(C)C)cccc3s2)on1 12422354 JANXVGWBIWQRKS-AWEZNQCLSA-N 385.489 4.542 0 40 GJAB COc1ccc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)c(OC)c1 12995720 ZRCKYKPONFVFJZ-UHFFFAOYSA-N 398.484 4.608 0 40 GJAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 13684935 ACVQGHSWHPGETO-UHFFFAOYSA-N 386.495 4.862 0 40 GJAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 14609728 GXIVMZPJYMGKPK-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB O[C@@H](CNCc1cc(Cl)ccc1OCc1ccccc1F)c1ccccc1 16477446 NAHXOVLQUDUEHZ-NRFANRHFSA-N 385.866 4.881 0 40 GJAB COc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c2ccccc12 27824939 MARJJDHUOHHMOX-UHFFFAOYSA-N 399.855 4.818 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2nc(C)nc3sc4c(c23)CCC4)c1 28165312 UVWRPKIFVJRJTF-UHFFFAOYSA-N 383.542 4.836 0 40 GJAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1 32074422 DBTRBYPICIQGEU-INIZCTEOSA-N 380.835 4.683 0 40 GJAB O=C(COc1ccc(Br)cc1)N1CCC[C@@H]1c1ccc(Cl)cc1 32796213 VLVBWSCZDGPTIV-QGZVFWFLSA-N 394.696 4.845 0 40 GJAB O=S(=O)(/C=C/c1ccccc1)N[C@@H](COc1ccccc1F)c1ccccc1 36398014 QUKHGDJYMGIMRC-ANUWBXLYSA-N 397.471 4.536 0 40 GJAB COc1ccc(-c2cc(SCC(=O)Nc3c(C)cc(C)cc3C)ncn2)cc1 36709732 XLQLKWCHLYKVIY-UHFFFAOYSA-N 393.512 4.808 0 40 GJAB CSc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 44837321 DIIINZCYJJCLLD-UHFFFAOYSA-N 388.290 4.813 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCCC2)cc1 44855418 UAAYJXWTNOYSOR-OAQYLSRUSA-N 378.516 4.623 0 40 GJAB Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=S)Nc1ccccc1)CC(=O)N2 58196782 KRTVGMGCDYZKKR-JOCHJYFZSA-N 387.508 4.736 0 40 GJAB c1ccc(CCCc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333565 WMMLAXSGJNBZSL-UHFFFAOYSA-N 378.545 4.829 0 40 GJAB CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1ccccc1Cn1cccn1 79104960 BUPQMGFCVBJDTQ-NRFANRHFSA-N 376.504 4.807 0 40 GJAB O=S(=O)(c1ccc(N[C@@H](c2ccccc2)c2ccccn2)cc1)C(F)(F)F 89827646 UAVLRTPTIZCQCT-SFHVURJKSA-N 392.402 4.577 0 40 GJAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCCN2Cc2ccccc2)C1 96071321 AJEBRTIJKUNDNG-QHCPKHFHSA-N 382.935 4.540 0 40 GJAB Cc1cn(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)c(-c2ccccc2)n1 96305743 PPJKTNKKJSVBEC-UHFFFAOYSA-N 381.284 4.711 0 40 GJAB COc1ccc([C@H]2c3sc(O)nc3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1OC 100623268 SNUBHAJWZFBQHA-CNKRUPENSA-N 375.515 4.518 0 40 GJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)n1 100738804 HZVRSZIHUVNCBS-PUZFROQSSA-N 392.547 4.817 0 40 GJAB COc1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc1 102745360 UODLIRVHFIKOSS-KPZWWZAWSA-N 394.456 4.769 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 136532616 KOFFYIUBJAVTFU-IYBDPMFKSA-N 396.874 4.580 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219377991 QSBVOPSWRRPWCP-WOJBJXKFSA-N 397.515 4.888 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccco2)c1C 222864983 PLICSJKLSOUMQK-LEWJYISDSA-N 394.544 4.524 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 222904766 NYHFUJFNXMMCMV-CABCVRRESA-N 396.379 4.534 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)NC1CCCCC1 225246771 KJLLOJDWSDPFPE-GOSISDBHSA-N 399.362 4.960 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 225585615 JDTLWRNPBCSPII-REWPJTCUSA-N 394.559 4.568 0 40 GJAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1C 225708285 WTKBDWLXDPZLEZ-KRWDZBQOSA-N 381.545 4.786 0 40 GJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1cccc(C(F)(F)F)c1 225761077 TYKMIUNMCSMYBS-AWEZNQCLSA-N 377.406 4.668 0 40 GJAB Fc1cc(Br)ccc1NC(=S)NC1(c2cccnc2)CCCC1 225861106 TZFGPGJGWHXMST-UHFFFAOYSA-N 394.313 4.739 0 40 GJAB CC1CCN(c2ccc(N)cc2NC(=O)c2cccc(Br)c2)CC1 226254983 KGDREPLANZUQDY-UHFFFAOYSA-N 388.309 4.520 0 40 GJAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc(Br)c2)cc1N 226266343 GCTHWBYPEIHXJY-ZDUSSCGKSA-N 388.309 4.662 0 40 GJAB CO[C@H](C(=O)Nc1c(Cl)cccc1Oc1cc(C)cc(C)c1)[C@@H]1CCOC1 622890344 DDHSBXOIAVHVOC-QRWLVFNGSA-N 389.879 4.739 0 40 GJAB CC(C)Oc1ccc(-c2ccc(NC(=O)N[C@H](C)c3nccn3C)c(F)c2)cc1 823519865 PORLOWZHZHWYFM-OAHLLOKOSA-N 396.466 4.896 0 40 GJAB Fc1ccccc1CN1CCOCCOc2ccccc2Cc2cccc(c2)C1 2037901723 LLCTYJYRZIXQTE-UHFFFAOYSA-N 391.486 4.828 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 835962 NYMYHEDLAQKTBZ-UHFFFAOYSA-N 386.407 4.946 0 40 GJAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C(C)C)cc2)n2ncnc2N1 954672 CSHPPJIFTIGZIJ-NRFANRHFSA-N 387.487 4.638 0 40 GJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 1339992 TZNRNQNAGDCJEG-UHFFFAOYSA-N 393.512 4.795 0 40 GJAB COc1cccc(-c2nnc(S[C@@H]3CCCCC3=O)n2-c2ccccc2)c1 2616333 JYULBTNDHZXGBN-LJQANCHMSA-N 379.485 4.547 0 40 GJAB COc1ccc(Cl)cc1NC(=S)N1CCN(c2cccc(Cl)c2)CC1 2700601 PMHJFVFOQVTJOD-UHFFFAOYSA-N 396.343 4.521 0 40 GJAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccccc4)c3n2)cc1 2770615 VLUQVDPRMKWHBW-UHFFFAOYSA-N 392.409 4.572 0 40 GJAB Cc1ccc(NC(=O)[C@H](OC(=O)c2ccccn2)c2ccccc2)cc1Cl 3280653 SFVGBEGXGQVFJZ-LJQANCHMSA-N 380.831 4.580 0 40 GJAB O=C(/C=C/c1ccc(Br)o1)OCc1ccc(Br)cc1 3300534 ONTKTYUQVSDJHY-SOFGYWHQSA-N 386.039 4.561 0 40 GJAB COc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2ccc(C)cc2)cc1 4059428 YSAOCEKAYBAPBU-NRFANRHFSA-N 377.513 4.607 0 40 GJAB O=C(C1CC1)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078417 KDQNITULDZURQB-UHFFFAOYSA-N 393.556 4.949 0 40 GJAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2)CC1 4123048 MEUYVBXIRCEDMJ-UHFFFAOYSA-N 387.936 4.703 0 40 GJAB COC(=O)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 4146238 KKXRNXMJXBUPIB-DENIHFKCSA-N 388.423 4.617 0 40 GJAB COc1cccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)c1 4598307 VZDRKOIEPYJVAC-UHFFFAOYSA-N 391.283 4.619 0 40 GJAB O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2ccco2)cc1 4743246 RGVDHJAHQOPMKC-UHFFFAOYSA-N 379.456 4.905 0 40 GJAB Cc1c(CC(=O)NCc2ccco2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 4743914 ZFOFVUHJPYYLNP-UHFFFAOYSA-N 393.439 4.597 0 40 GJAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)n1 4832902 WOWFPNRGXLWOHZ-JCKWVBRZSA-N 387.936 4.502 0 40 GJAB CC(C)CCn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O 5036681 NTOBKCWECUANJF-UHFFFAOYSA-N 384.476 4.557 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)OCC(=O)C(C)(C)C)cccc2c1=O 5245707 SSXGONZFFXXWSG-UHFFFAOYSA-N 378.424 4.540 0 40 GJAB Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)c2ccsc2)cc1 5452222 PKQQYQAXHIJCOC-QFIPXVFZSA-N 376.481 4.636 0 40 GJAB O=C(Cc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6025659 WBXDASGPLQXNTK-NRFANRHFSA-N 389.886 4.859 0 40 GJAB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 6056862 WMBFFKHIWSTXBM-CYBMUJFWSA-N 396.270 4.559 0 40 GJAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc3sc4ccccc4c3s2)no1 7144340 DWVBGQYYLWCOND-JTQLQIEISA-N 386.454 4.596 0 40 GJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1c(Cl)cccc1Cl 7726045 KYRNNKYUBMRPLK-UHFFFAOYSA-N 379.243 4.820 0 40 GJAB CCc1cccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 8086437 YJBAETPUURLOHB-UHFFFAOYSA-N 380.513 4.644 0 40 GJAB Cc1nc2cc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)ccc2o1 9596332 MBPIIFJPFFUSEA-UHFFFAOYSA-N 375.432 4.592 0 40 GJAB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc2ccccc12 10219108 KCHPNDHNRHCJDY-UHFFFAOYSA-N 387.888 4.686 0 40 GJAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccnc1Cl 11168064 ZEWNDBSECSXJKD-UHFFFAOYSA-N 391.652 4.688 0 40 GJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CC1 11251018 BRSAWBKSHQVBPL-UHFFFAOYSA-N 397.824 4.767 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1 12137118 HSYXSXBSAKZESI-UHFFFAOYSA-N 380.488 4.742 0 40 GJAB CCc1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)N(CC)c2ccccc23)cc1 12413319 VCCGFGKMXIBQOK-VWLOTQADSA-N 397.478 4.541 0 40 GJAB O=C(C[C@@H]1C=CCC1)Nc1ncc(Cc2ccc(Br)cc2)s1 12919984 XUWHWDCEABPXKO-GFCCVEGCSA-N 377.307 4.791 0 40 GJAB CN(CCOC(=O)c1ccc2ccccc2c1)C(=O)c1ccc2ccccc2c1 12973374 GYDPAWCQEHCEAW-UHFFFAOYSA-N 383.447 4.922 0 40 GJAB O=C(Cc1ccc(NC(=O)CCCc2ccccc2)cc1)NCc1cccs1 13716571 CVMVVOJWIBDRJN-UHFFFAOYSA-N 392.524 4.568 0 40 GJAB CCCOc1ccccc1NC(=O)c1cc(OC)c(Br)c(OC)c1 15610908 RJRPAHLECFCNRH-UHFFFAOYSA-N 394.265 4.507 0 40 GJAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 15643233 PISSMLIZSOMDJH-UHFFFAOYSA-N 378.859 4.766 0 40 GJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 16141617 YFKNFVWLUNJSSP-QHCPKHFHSA-N 389.499 4.865 0 40 GJAB CCc1nnc2c3ccccc3nc(Nc3ccc(Br)c(C)c3)n12 16162617 IMLMFOVFCRLOSQ-UHFFFAOYSA-N 382.265 4.654 0 40 GJAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3cccc(C)c3C)cc2s1 17081306 FYGNOAJHKPBRDZ-UHFFFAOYSA-N 397.500 4.669 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1ccc(F)c(F)c1 17178185 BNLRRRLEJSJTLW-UHFFFAOYSA-N 392.405 4.810 0 40 GJAB CCCOc1cc(S(=O)(=O)Nc2cc(C)ccc2C)ccc1Br 28252005 DPNLSHLUHQCQSX-UHFFFAOYSA-N 398.322 4.656 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccnn1Cc1ccccc1 28291311 LKUIYPBCUWJRIN-QGZVFWFLSA-N 377.488 4.635 0 40 GJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cccc(OC(F)(F)F)c1 31076954 CFTHFDRRVIEDGF-UHFFFAOYSA-N 384.379 4.556 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(-c2ccc(F)cc2)o1 32424931 GBYLCLAWSBOETI-QGZVFWFLSA-N 384.476 4.714 0 40 GJAB COc1ccc2nc(NC(=O)c3c(C)noc3-c3ccc(C)cc3)sc2c1 35672345 FBFFVKDCPQPVKB-UHFFFAOYSA-N 379.441 4.829 0 40 GJAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 38834228 WITKFYUMONADDU-HNNXBMFYSA-N 393.314 4.853 0 40 GJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872520 VOKDAARIINHWCK-LJQANCHMSA-N 388.511 4.519 0 40 GJAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3oc4c(C)ccc(C)c4c3C)c2)n1 56407516 AFSGGNWBFHJVDR-UHFFFAOYSA-N 387.439 4.669 0 40 GJAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1)C(C)C 58016989 SUWHAXQKGULJCZ-QGZVFWFLSA-N 393.531 4.761 0 40 GJAB O=C(Cc1ccccc1Cl)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 58307458 USSWUBXCGBOCJY-GOSISDBHSA-N 381.863 4.686 0 40 GJAB CC(C)Sc1ccc(CC(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 70640025 OVLROPMMIXSQDV-SFHVURJKSA-N 397.462 4.598 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214347 PCMGOXCGUOTPAP-OAHLLOKOSA-N 377.485 4.891 0 40 GJAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 72358921 WLDRFTZHPAKLSV-HXUWFJFHSA-N 389.474 4.540 0 40 GJAB COc1cc(CNc2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1OC 78904358 LFRLFIVFHDZQJZ-UHFFFAOYSA-N 398.406 4.953 0 40 GJAB COc1cccc2cc(C(=O)N(CCc3cccs3)Cc3ccoc3)oc12 90612363 NCXXHLFJDGHVCK-UHFFFAOYSA-N 381.453 4.981 0 40 GJAB CCCCc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1 95950228 CWGKCSQRFMWKHX-UHFFFAOYSA-N 398.322 4.601 0 40 GJAB C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)C1CCC(c2ccccc2)CC1 95963128 JGUATIQFKBNMIC-XBXZGVGYSA-N 383.557 4.917 0 40 GJAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)C1 102240692 VJRYTNRCWPHUIB-HNAYVOBHSA-N 384.303 4.577 0 40 GJAB C[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 102796938 MYCAZMDYGQEONG-JLJPHGGASA-N 392.425 4.558 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1Cl 103718987 IUANGQYPDBQYOM-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CCCc1nc(C)c(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)s1 106286131 IGZGNJHWGMAYSF-UHFFFAOYSA-N 376.485 4.971 0 40 GJAB O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccc(O)cc1 110701023 JACPODVLCYTIRB-VGOFMYFVSA-N 398.793 4.956 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219565584 KXGBMBGNFZNLJL-ROUUACIJSA-N 383.488 4.580 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 222681202 CWFSVTMQBMOWOX-QGZVFWFLSA-N 395.499 4.928 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3Cc3ccco3)N21 222686567 XPLXNRRUGMZVHA-CDHQVMDDSA-N 378.501 4.504 0 40 GJAB O=C(NCCc1ccc(F)cc1)c1ccc(OCCSc2ccccc2)cc1 224380595 LYBUAQFLOCBRIA-UHFFFAOYSA-N 395.499 4.969 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)c(I)c1 225013354 MYAOFYCDWQPANT-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225582655 VKBPSZOMQMLRPI-HNNXBMFYSA-N 386.898 4.669 0 40 GJAB COc1ccc2ccccc2c1/C=C1\S[C](Nc2ccccc2F)NC1=O 408801676 VEPNIKLLETZJPG-UHFFFAOYSA-N 379.436 4.750 0 40 GJAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3F)C2=O)cc1 409333269 ROZSUHFXXKUGCJ-WOJGMQOQSA-N 398.459 4.624 0 40 GJAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3Cl)n2)cc1 409385634 BPSKCZAYNLKNHN-UHFFFAOYSA-N 399.903 4.845 0 40 GJAB O=C(c1ccccc1Cl)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 524605789 UVCGKMMDNAOYQP-MRXNPFEDSA-N 388.653 5.000 0 40 GJAB CCc1nc2ccccc2n1Cc1noc([C@@H]2C[C@H]2c2c(F)cccc2F)n1 545888595 RTQLLKDYXHIWGF-CHWSQXEVSA-N 380.398 4.579 0 40 GJAB O=C(O)c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1Cc1ccccc1 585266807 PWZCUHGNYYTBHA-FQEVSTJZSA-N 393.874 4.761 0 40 GJAB Fc1ccc(-c2noc(CCCc3nc([C@H]4CCc5ccccc54)no3)n2)cc1 680750132 DZQWFPFTIICGSJ-SFHVURJKSA-N 390.418 4.512 0 40 GJAB Cc1cccc(-c2cccc(CNC(=O)[C@]3(C)Cc4ccc(C)cc4C(=O)O3)c2)c1 1125731955 PSYJGFHBXFCHIJ-SANMLTNESA-N 399.490 4.758 0 40 GJAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccccc1Cl 852451 PRSSZHIPNSHDKE-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)NC1(C(=O)N2CCCCC2)CCCCC1 1344889 IAGIKIAIASHJAO-UHFFFAOYSA-N 397.441 4.542 0 40 GJAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 1347007 RBHOOOHFESKDPQ-HXUWFJFHSA-N 379.504 4.928 0 40 GJAB CC(C)C(=O)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 1424433 JHGYSBYNDRMBRI-UHFFFAOYSA-N 390.314 4.706 0 40 GJAB CCOC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 2780576 CUXNDQFGQMBBKY-GOEBONIOSA-N 381.398 4.844 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(CN3c4ccccc4C[C@@H]3C)cs2)cc1 3420654 DNJJFMNYMQCXNO-INIZCTEOSA-N 377.513 4.584 0 40 GJAB CC(=O)Nc1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1 4137804 JAQDQOMTSAHFPD-UHFFFAOYSA-N 376.413 4.886 0 40 GJAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2c(F)cccc2Cl)N3)C1 4555321 ZWIVAIMMGCZQPT-INIZCTEOSA-N 379.888 4.736 0 40 GJAB Cc1ccccc1C(=O)Nc1c(-c2ccccc2F)c(=O)c2ccccc2n1C 5347016 WHGPHEKEUKJXSW-UHFFFAOYSA-N 386.426 4.905 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 6084938 ULBLMAHCQLJRHH-UHFFFAOYSA-N 389.499 4.781 0 40 GJAB CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 6617319 RLOYQHMWSVMPSX-XJTUCQONSA-N 385.592 4.533 0 40 GJAB CC(C)(C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1 6664282 QTHRLQUIQYTUHI-QFIPXVFZSA-N 383.495 4.941 0 40 GJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1sccc1-c1ccccc1 6821952 CURZNHRMTMJQJP-UHFFFAOYSA-N 391.540 4.728 0 40 GJAB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccc(Cl)cc1F 7179258 QSSFJKSZHAQOJU-LBPRGKRZSA-N 389.883 4.999 0 40 GJAB Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc12 7424532 YUTVGNGLDXZIOR-UHFFFAOYSA-N 382.514 4.600 0 40 GJAB C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)c1ccccc1 8188613 KOQKHUPTIKCQAP-LLVKDONJSA-N 389.274 4.863 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)cc2)cc1 8753048 MWJCHJROJFFIBK-UHFFFAOYSA-N 395.480 4.584 0 40 GJAB CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 8931418 NRZCCYFNNDPXSF-UHFFFAOYSA-N 387.892 4.551 0 40 GJAB Cc1ccc2c(CC(=O)NC[C@@H](c3cccs3)N3CCCC3)coc2c1C 9336189 VWECNSLQIGRDEY-IBGZPJMESA-N 382.529 4.607 0 40 GJAB CCOC(=O)c1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1C 10442302 BRWPNYLRNLRKFG-UHFFFAOYSA-N 395.883 4.836 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CCCCC2)cc1 12557745 KAPMNXQAKOVSIO-HSZRJFAPSA-N 389.499 4.580 0 40 GJAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1F 12558922 WDCZOWVAAXTWSE-CQSZACIVSA-N 375.875 4.909 0 40 GJAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)cc1 12813955 JAGDYVMFHTURQS-FQEVSTJZSA-N 394.544 4.730 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1 12999193 BWCJQSQEVVAHMC-QGZVFWFLSA-N 389.499 4.683 0 40 GJAB CN1CCN(c2ncnc3sc(-c4ccccc4)cc23)[C@@H](c2ccccc2)C1 13149349 ULJRGQYLDMOZIX-HXUWFJFHSA-N 386.524 4.851 0 40 GJAB CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 13779132 FUAHWSGXUPYIPR-UHFFFAOYSA-N 376.500 4.876 0 40 GJAB OCCn1c(-c2ccc(F)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 15188479 MQQYRIMCNCMKNT-QJOMJCCJSA-N 382.382 4.599 0 40 GJAB CCOc1ccc(CN[C@H](Cc2cccs2)c2nc(C)cs2)cc1OC 19533941 OUWDOJCAQRQPHN-QGZVFWFLSA-N 388.558 4.994 0 40 GJAB CC1CCN(Cc2ccc(NCc3ccc(N4CCCC4=O)cc3)cc2)CC1 19715905 RADUEAZAXAEYHV-UHFFFAOYSA-N 377.532 4.657 0 40 GJAB C[C@H](Sc1nc2c(n1-c1ccccc1)CCCC2)C(=O)NCc1cccs1 21604477 CPJFJCNCQJCVOS-HNNXBMFYSA-N 397.569 4.610 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)Nc1ccccc1 22907648 XVSCGQXVIUFOAD-HXUWFJFHSA-N 377.513 4.669 0 40 GJAB Cc1ccsc1CN(C)Cc1nnc(-c2c(-c3ccccc3)noc2C)o1 23955916 JBYPELPOIGTWDU-UHFFFAOYSA-N 380.473 4.702 0 40 GJAB CCCCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 27793106 YHUPZTZOYLCAPZ-JOCHJYFZSA-N 380.532 4.741 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1OCC 30853763 JDZCSUXKSHTMTQ-FXAWDEMLSA-N 385.504 4.827 0 40 GJAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1cccc(F)c1 32578493 QNSHIBZLQDJFOZ-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB O=C(O)c1cc(-c2ccc(OC(F)F)cc2)nc2cc(-c3ccc(F)cc3)nn12 36615763 GRJRSQORLNQKFV-UHFFFAOYSA-N 399.328 4.502 0 40 GJAB CNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1 36741852 PCIRBWGVTPGLRP-UHFFFAOYSA-N 395.462 4.822 0 40 GJAB Cc1cc(C)n(-c2ccc(COC(=O)c3cnc4onc(C(C)C)c4c3)cc2)n1 36832165 LQNNDRAUNOWKIE-UHFFFAOYSA-N 390.443 4.506 0 40 GJAB CSc1ccccc1CN1CCC(CNC(=O)c2ccc(Cl)s2)CC1 43991192 KDSISHYQKIXPRM-UHFFFAOYSA-N 394.993 4.765 0 40 GJAB COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3cccc(F)c3)C2=S)cc1 45933234 KCRXZOJTCPSEGQ-UHFFFAOYSA-N 396.487 4.767 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2Br)cc1 48301294 VZVHOQKNBCSTCV-QGZVFWFLSA-N 393.256 4.966 0 40 GJAB CCn1c(-c2ccncc2)nn(CN(C2CC2)[C@@H]2CCc3ccccc32)c1=S 48365733 SYUQHXRUDKFILL-HXUWFJFHSA-N 391.544 4.605 0 40 GJAB Cc1ccc2cccc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)c2n1 57315853 IFXAEAZHCJPTPC-UHFFFAOYSA-N 393.556 4.963 0 40 GJAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cncc(Br)c1 57510822 CICJFTAUCHJZTK-UHFFFAOYSA-N 393.244 4.640 0 40 GJAB O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)Nc1c(F)cccc1F 61734470 MURDHRQEFWRNPW-UHFFFAOYSA-N 380.394 4.888 0 40 GJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NC(=O)C2CC2)s1 72277164 ONCNXNQDKIKQTR-ZWKOTPCHSA-N 382.529 4.895 0 40 GJAB C[C@@H](c1ncc(C(C)(C)C)o1)N1CCO[C@H](c2cccc(Br)c2)C1 72310606 WOSHGJDZGIGEAO-BBRMVZONSA-N 393.325 4.869 0 40 GJAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2N1 78403986 IKUBMFZNADRZNT-OAHLLOKOSA-N 380.469 4.636 0 40 GJAB COc1ccccc1CNc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc12 95471177 DKPNKMPSVPPFMQ-UHFFFAOYSA-N 393.462 4.621 0 40 GJAB CNc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)ncn1 95698519 GZZUNAQJDDFJJM-UHFFFAOYSA-N 386.246 4.507 0 40 GJAB O=C(NCc1cccc(Oc2ccccn2)c1)c1ccccc1Br 96122540 WPFUGQUOCDKHDQ-UHFFFAOYSA-N 383.245 4.566 0 40 GJAB CN(C(=O)/C=C(\c1ccccc1)C(F)(F)F)[C@H]1CCCN(c2ccccc2)C1 98010214 QXNVVVVHDHYSGS-AZGFIHASSA-N 388.433 4.760 0 40 GJAB CC1(C)CC2=Nc3nonc3N[C@H](c3cccc(Br)c3)C2=C(O)C1 101101912 SEQYSBCLWORXBI-CQSZACIVSA-N 389.253 4.704 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 223874590 CUCXJGMDSZPWKO-IBGZPJMESA-N 395.543 4.871 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1cccc(C)c1C 223964070 PEQWTDPFKDYHRT-LJQANCHMSA-N 375.896 4.618 0 40 GJAB COc1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)cn1 223978269 CNVJJMJCBSVPMF-UHFFFAOYSA-N 375.925 4.542 0 40 GJAB CCOc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1Cl 224851408 YPUGEZAFWQOJOW-UHFFFAOYSA-N 386.923 4.655 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 224859682 YYLBCSDKOAHDPE-KRWDZBQOSA-N 381.501 4.926 0 40 GJAB Cc1ccccc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224884305 FSHBIWPAUHEJPZ-UHFFFAOYSA-N 385.261 4.984 0 40 GJAB O=C(CSCc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 225219638 LPWWNQZMEIFYGF-UHFFFAOYSA-N 393.896 4.870 0 40 GJAB COc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2OC)n(CC(C)C)n1 257235225 GWYJIQSMWDBXFO-UHFFFAOYSA-N 394.471 4.517 0 40 GJAB Cc1cc(C2CCN(Cc3ccc(-c4ccccc4C(=O)O)o3)CC2)ccn1 257310571 UFRUKMFLTPWRKC-UHFFFAOYSA-N 376.456 4.728 0 40 GJAB CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCC3)cc2s1 408750985 VAXFESWUGHXVOY-UHFFFAOYSA-N 397.525 4.507 0 40 GJAB O=C1S/C(=C/c2cc3c(cc2Cl)OCO3)C(=O)N1CC1CCCCC1 409146898 TXAGZIGWDNORBS-FRKPEAEDSA-N 379.865 4.685 0 40 GJAB Cc1ccccc1Oc1ccccc1CNCc1cc(C(F)(F)F)nn1C 1655555112 IGDMSBYVCGKLNY-UHFFFAOYSA-N 375.394 4.829 0 40 GJAB COc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)cc1 669296 FMMIASBVNZIMAA-UHFFFAOYSA-N 382.463 4.883 0 40 GJAB biogenic O=C(N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccs1 677110 GPPKVFDJYJZZFE-GFCCVEGCSA-N 384.115 4.940 0 40 GJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc2ccccc2o1 812048 RRKYWGLANDBWCT-UHFFFAOYSA-N 376.368 4.539 0 40 GJAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(C)c1C)OCO3 929879 WOZQJIDOSCPTCK-UHFFFAOYSA-N 380.469 4.620 0 40 GJAB O=C(Oc1c(-c2ccccc2)c(=O)n2c3c(cccc13)CCC2)c1cccs1 1036081 IDGXLCRBTOAIBW-UHFFFAOYSA-N 387.460 4.895 0 40 GJAB CC(=O)c1cccc(NC(=O)N(CCc2nc3ccccc3[nH]2)C2CCCC2)c1 1360645 UGKYYELZXHJFNO-UHFFFAOYSA-N 390.487 4.785 0 40 GJAB CC1=CC=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccc(F)cc3)N12 2050277 SELFAJCGOLGRGZ-UHFFFAOYSA-N 377.263 4.581 0 40 GJAB Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccccc4F)c(C)c3cc12 2092107 WGJRLHFGQWIIHP-UHFFFAOYSA-N 379.387 4.866 0 40 GJAB biogenic Cc1cccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)c1 2412413 ZPQLJIIRNZOQQX-INIZCTEOSA-N 391.858 4.603 0 40 GJAB COc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2ccccc2)cc1 2625530 YYXJIKZJLVVWNL-IBGZPJMESA-N 379.485 4.547 0 40 GJAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 2723213 MFATXOSPUDFHLJ-UHFFFAOYSA-N 381.501 4.619 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)/C=C/c1ccco1)c1ccccc1 3221239 HOJJVCQOYUTKBB-FRFYRWIFSA-N 391.423 4.615 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@H](C)N(C)Cc2cccc(Cl)c2Cl)c1 3390911 KNICYOQWVHYLHZ-GFCCVEGCSA-N 379.287 4.655 0 40 GJAB CCCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccco1 4861136 IJQRADVFGQNYBJ-UHFFFAOYSA-N 390.896 4.722 0 40 GJAB CCCCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(F)cc32)cc1 6480965 RTJVNGPMNHLSRL-UHFFFAOYSA-N 388.446 4.834 0 40 GJAB O=C(c1ccc(Br)s1)N(Cc1ccccc1)Cc1ccco1 6610599 HXBFYMMJVPMDPU-UHFFFAOYSA-N 376.275 4.946 0 40 GJAB COc1cccc(CSc2nc3sccc3c(=O)n2-c2ccccc2)c1 6907492 IPWOOAYQSMDZIW-UHFFFAOYSA-N 380.494 4.748 0 40 GJAB CC(C)[C@H](NC(=O)CSc1ccccc1F)c1ccc2c(c1)OCCCO2 7361816 OMKVCDJXNLVBEX-NRFANRHFSA-N 389.492 4.593 0 40 GJAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(OCc2cccs2)cc1 7602110 FALUWPVLPNTWAX-UHFFFAOYSA-N 394.525 4.992 0 40 GJAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7775865 GCDKBCDZVNUGEO-MRXNPFEDSA-N 388.496 4.706 0 40 GJAB O=C(Cc1noc2ccccc12)N1CCCC[C@H]1c1nc2ccccc2s1 8074695 ZPTDRWAZKJKWJB-KRWDZBQOSA-N 377.469 4.734 0 40 GJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N(C)Cc1ccc(Cl)cc1 8312827 KFPRDUKQGQSJNG-UHFFFAOYSA-N 398.938 4.874 0 40 GJAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccccc2Nc2ccccc2)c1 12729507 KQZVKSPREPPRNB-UHFFFAOYSA-N 387.483 4.758 0 40 GJAB COc1cc(C)c(NC(=O)C2c3ccccc3Oc3ccccc32)cc1OC 12774605 MNPWSEFVUIIPCS-UHFFFAOYSA-N 375.424 4.889 0 40 GJAB O=C(/C=C/c1ccc(Br)cc1F)c1ccc(O)c(CCCl)c1 12894128 CHMGYDXKKDLZPI-GORDUTHDSA-N 383.644 4.971 0 40 GJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(C)C3CCC(C)CC3)c12 12901094 RASLFZXQSHEQPM-UHFFFAOYSA-N 381.451 4.988 0 40 GJAB C[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(C(C)(C)C)cc1 13667581 SOBXGPXUNIZICV-ZDUSSCGKSA-N 383.916 4.957 0 40 GJAB O=C(/C=C\c1ccccc1)Nc1ccc(Cl)cc1C(=O)NCc1ccccc1 17117791 VOSVFDBSXITQDN-KAMYIIQDSA-N 390.870 4.922 0 40 GJAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)c2ccccn2)cc(C)c1Cl 21524348 MVKQXYAOGDNALW-MRXNPFEDSA-N 384.863 4.946 0 40 GJAB CCN(CC)c1c(S(=O)(=O)c2ccc(C)c(C)c2)cnc2ccc(F)cc12 22574110 XITMALDTUPXJNW-UHFFFAOYSA-N 386.492 4.670 0 40 GJAB COc1ccc(C[C@H](NCc2ccccc2OC)c2ccc(OC)cc2)cc1 22789843 YJFNLCFEWDSLTQ-QHCPKHFHSA-N 377.484 4.786 0 40 GJAB CC(C)c1ccccc1-n1ccnc1S[C@H](C)C(=O)Nc1ccnn1C(C)C 24195158 VNHJRTJSBZNZIY-MRXNPFEDSA-N 397.548 4.892 0 40 GJAB COc1ccc(OC)c(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)c1 27489460 KHNFQUJFEAXYKM-UHFFFAOYSA-N 393.439 4.617 0 40 GJAB CC(=O)c1ccc(OCc2ccc(C(=O)Nc3cccc4cccnc34)o2)cc1 27976695 FPRIVLCXBVDEFP-UHFFFAOYSA-N 386.407 4.862 0 40 GJAB COc1ccc2c(c1)CCCN2C(=O)CSc1ccccc1Br 29526270 SZVZXOCMDZAYMT-UHFFFAOYSA-N 392.318 4.529 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 29737788 IMILKBYXJIUVCB-UHFFFAOYSA-N 381.863 4.584 0 40 GJAB Cc1cc(CN2CCN(c3cc(-c4ccccc4)c4ccccc4n3)CC2)no1 65627178 OZLWDANYESQGSI-UHFFFAOYSA-N 384.483 4.520 0 40 GJAB CC(=O)c1c(C)cc(C)c(COC(=O)C(=O)c2c(C)[nH]c3ccccc23)c1C 71837480 CHVHWAIBGPFZAQ-UHFFFAOYSA-N 377.440 4.530 0 40 GJAB Cc1ccc(SCCNC(=O)Nc2cccc(OCc3ccccn3)c2)cc1 71850104 GTBYGIMTLCUWMO-UHFFFAOYSA-N 393.512 4.883 0 40 GJAB Cc1ccnn1-c1cccc(NC(=O)c2[nH]c3ccccc3c2Br)c1 84251011 RYINQIYGLLBOCG-UHFFFAOYSA-N 395.260 4.677 0 40 GJAB Cc1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 95953222 RGEVOFCMTNDNDY-UHFFFAOYSA-N 390.283 4.610 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 118924147 SPJJQKMRGHDHDW-VYIMKSKESA-N 387.564 4.619 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(OC)cc1 222929997 SGIYSSPKTGSAIB-JOCHJYFZSA-N 383.532 4.899 0 40 GJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Br)cc1F 223111008 GNVVGTOTHOIQBY-LBPRGKRZSA-N 392.268 4.873 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 224990293 JXEGBLBDKOWCOU-UHFFFAOYSA-N 388.895 4.618 0 40 GJAB COC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OC 225759652 ZRHSDCVFFKHISH-UHFFFAOYSA-N 381.472 4.631 0 40 GJAB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)n2)cc1 225790724 ZALMRZCWWFKGDS-QGZVFWFLSA-N 393.487 4.561 0 40 GJAB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCC(C)CC1 225834321 UMPPQFJTOUTZCB-JXORXQGFSA-N 391.508 4.574 0 40 GJAB CC(C)[C@@H]1C[C@@]2(CCCN(C(=O)c3cccnc3)C2)CO[C@H]1c1ccc(F)cc1 257310656 UFZPFCDLFPFLHU-WPFOTENUSA-N 396.506 4.877 0 40 GJAB CCCCC(=O)Nc1cccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1 408619984 FSVCOYAQFMFOBC-UHFFFAOYSA-N 398.356 4.633 0 40 GJAB COc1c(F)c(F)c(C(=O)Nc2ccccc2N2CCC(C)CC2)c(F)c1F 408620712 JGYLYLVKKKNDIV-UHFFFAOYSA-N 396.384 4.740 0 40 GJAB CC(C)c1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 408709228 QFXHWBDLADXJBU-UHFFFAOYSA-N 398.812 4.737 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 409137634 WNMYSFUOQAKPNO-VQHVLOKHSA-N 375.299 4.664 0 40 GJAB CN(C)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1csc2ccccc12 575622214 XVDUDWBBZHYRCC-INIZCTEOSA-N 376.884 4.727 0 40 GJAB Cc1nc(CO[C@@H]2CCN(c3ccnc4cc(C(F)(F)F)ccc34)C2)cs1 585083317 QKOUHWDJVOCSJW-OAHLLOKOSA-N 393.434 4.814 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c1 585151808 NBEBZVZAWAWFSU-UHFFFAOYSA-N 395.509 4.776 0 40 GJAB Cc1cc(O)c(-c2c(-c3cc4ccccc4o3)oc3cc(C)oc(=O)c23)c(=O)o1 604406338 MMCUVWKDMJWYCJ-UHFFFAOYSA-N 390.347 4.742 0 40 GJAB biogenic COC1(C(=O)Nc2cccc(Cc3nc4ccccc4[nH]3)c2)CCC(F)(F)CC1 616423409 BADDTFYTMJPENE-UHFFFAOYSA-N 399.441 4.687 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4)c(N)c3cc2C1 661872 UTMCUTBNUIEDNE-GFCCVEGCSA-N 381.501 4.654 0 40 GJAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccnc2)N2CCCC2)c1C 950059 XCINMKFZBVLNQE-IBGZPJMESA-N 381.501 4.790 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(C)n2-c2cccc(Cl)c2)cc1 976472 GBNTUYVXOSSAIS-CYBMUJFWSA-N 386.908 4.657 0 40 GJAB O=C(CC(=O)Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1 1400395 OHZRTCGRKGZNAL-UHFFFAOYSA-N 390.283 4.692 0 40 GJAB CCCSc1nc(NC[C@@H]2CCCO2)c2c3c(sc2n1)COC(C)(C)C3 2416461 WLHPDAFCTQSOKN-LBPRGKRZSA-N 393.578 4.636 0 40 GJAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 2661261 FLDNVYKWMLKLOL-CQSZACIVSA-N 383.492 4.689 0 40 GJAB COc1cc2ncnc(NCCSc3ccc(Cl)cc3)c2cc1OC 4060373 JTRUUGDWAMOOIQ-UHFFFAOYSA-N 375.881 4.505 0 40 GJAB Cc1ccc(C)c(CN2C(=O)[C@](O)([C@H](C)C(=O)c3ccccc3)c3ccccc32)c1 4556271 BSENLHIMHJMTQX-BCHFMIIMSA-N 399.490 4.557 0 40 GJAB Cc1ccc(NC(C)(C)c2nnnn2C(c2ccccc2)c2ccccc2)cc1 4607925 ZJNOUUZABNXTJY-UHFFFAOYSA-N 383.499 4.966 0 40 GJAB COc1ccc(-c2nc3ccccn3c2NCc2ccc(F)cc2)cc1OC 4848428 AQUHLOPTNGUOGW-UHFFFAOYSA-N 377.419 4.770 0 40 GJAB COc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2cccc(C)c2)n1 5532860 UIAOTUDSQNLYHS-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB COc1ccc(-c2nc(CSc3nc4ccccc4[nH]3)cs2)cc1OC 5628136 JLGGRBDKOXTMAU-UHFFFAOYSA-N 383.498 4.996 0 40 GJAB COC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CCC2 5903513 DCQFSTMAJROBOF-JLHYYAGUSA-N 383.513 4.973 0 40 GJAB COc1ccccc1NC(=O)Nc1ccccc1C(=O)Nc1ccccc1OC 6182631 YPEBUCXOHXBCQQ-UHFFFAOYSA-N 391.427 4.600 0 40 GJAB Cc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cccc(Cl)c3n2)o1 6276138 PICSZVIRRDJHBP-UHFFFAOYSA-N 377.831 4.782 0 40 GJAB C[C@@H]1CCc2c(sc(NC(=O)c3cc4c(s3)CCCCC4)c2C(N)=O)C1 6938693 YIUUSHFAWGBNJB-LLVKDONJSA-N 388.558 4.555 0 40 GJAB Cc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1Cl 7602733 XMRPASWIVDYVOA-UHFFFAOYSA-N 395.315 4.879 0 40 GJAB COc1ccc(Cl)cc1NCC(=O)Nc1ccccc1Cc1ccccc1 7787347 UZSDLABSVTTYHK-UHFFFAOYSA-N 380.875 4.990 0 40 GJAB CCOc1ccccc1OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 8115237 LRHXHRVYMRARIY-QHCPKHFHSA-N 393.508 4.700 0 40 GJAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1 8231955 OVSBFTZTEQZFJR-UHFFFAOYSA-N 387.483 4.847 0 40 GJAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)cc1 8476259 HMFYZNRRELVZJS-UHFFFAOYSA-N 394.906 4.959 0 40 GJAB COc1ccc(-c2csc(SCC(=O)Nc3ccc(F)cc3F)n2)cc1 8492850 DDGXFHXILQMMBM-UHFFFAOYSA-N 392.452 4.828 0 40 GJAB COc1cc(C(=S)N2CCCCC2)ccc1OCCOc1ccccc1C 8571571 ABCABFZPRIUARO-UHFFFAOYSA-N 385.529 4.623 0 40 GJAB Cc1ccc(NC(=O)CNc2ccccc2C(=O)Nc2ccc(F)cc2)c(F)c1 8705792 FGKGHPBBBFOYKS-UHFFFAOYSA-N 395.409 4.576 0 40 GJAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)Cc1cccs1 9155988 UPQNVMBYXNRDDP-UHFFFAOYSA-N 378.446 4.565 0 40 GJAB CCCSc1ccccc1C(=O)Nc1nnc(Cc2ccccc2OC)s1 9196978 CNMHRFDLSAZGQS-UHFFFAOYSA-N 399.541 4.892 0 40 GJAB COc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 11327705 DTFDGZOIOVXBOL-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cc(C)ccn1 11565867 UOXQPZHVTHONDK-UHFFFAOYSA-N 376.522 4.667 0 40 GJAB CC(C)C[C@H](NC(=O)Cc1ccccc1F)c1nc2cccnc2n1C(C)C 12114117 MHKPVTIZGYXKIY-IBGZPJMESA-N 382.483 4.597 0 40 GJAB O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 12148543 XPYKLGHEYWABPH-VQTJNVASSA-N 399.277 4.598 0 40 GJAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1cccc(C(F)(F)F)c1 13680388 PHJYFSKLOLCOPY-UHFFFAOYSA-N 384.206 4.954 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2n1-c1ccccc1 15913146 BVBFOYBORYKPQX-CALCHBBNSA-N 379.529 4.907 0 40 GJAB CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)Cc3ccccc3C)cc2)C1 19711932 GQTONXHGWJKUJE-RPBOFIJWSA-N 394.559 4.716 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCCCCC2)cc1 20381331 JSYNSODJKFQBHO-UHFFFAOYSA-N 398.503 4.896 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1Br 21005962 OGNOLUZODOQUOF-UHFFFAOYSA-N 395.303 4.895 0 40 GJAB Cc1nc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1C 21569322 YJOWYRVKZXUJQK-HZPDHXFCSA-N 383.517 4.524 0 40 GJAB Cc1ccc(N(Cc2ccco2)C(=O)CCc2ccc3c(c2)OCCO3)cc1 21974372 OVCUCIACJVSOLV-UHFFFAOYSA-N 377.440 4.525 0 40 GJAB O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1 22130803 FFNJNQRJGGLANL-HSZRJFAPSA-N 384.435 4.610 0 40 GJAB COc1ccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)N(C)C)cc1 28287571 KRDYRHBDESWBSP-INIZCTEOSA-N 388.920 4.596 0 40 GJAB Cc1nn(-c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)c(C)c1Cl 28304694 MWQGHXZOXIKFTC-UHFFFAOYSA-N 378.863 4.805 0 40 GJAB CCCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c2ccccc12 31903883 FVFRBWNHXYONBP-UHFFFAOYSA-N 399.468 4.518 0 40 GJAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2Cc2ccccc2)CC1 32740620 BSEQLRPACKKMQQ-UHFFFAOYSA-N 394.515 4.863 0 40 GJAB C[C@H](NC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1 32931943 BXJNYTCIYBOTSQ-LRDDRELGSA-N 397.828 4.600 0 40 GJAB CS(=O)(=O)c1ccccc1NC(=O)N1CCC[C@@H]1c1cccc2ccccc12 56596362 ZNTLHGDVPTYYLC-HXUWFJFHSA-N 394.496 4.612 0 40 GJAB Cc1cccc(OCCCCC(=O)Nc2cccc(Oc3cnccn3)c2)c1 57387181 CGXREMVZTJPQGP-UHFFFAOYSA-N 377.444 4.765 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)/C=C/c1cc2cc(Cl)cc(OC)c2o1 67339456 HTWYJTIASYCMDC-CMDGGOBGSA-N 399.830 4.923 0 40 GJAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3ccc(F)cc3)N1CC2 72342012 KSYQVNXNSLMYCA-ZEQRLZLVSA-N 390.458 4.915 0 40 GJAB CN1CCC[C@@H]1CCSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 83877910 UKUKVWGSIRFMIG-HXUWFJFHSA-N 396.535 4.709 0 40 GJAB O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 96627174 QXZYMLJWVUIGTD-IBGZPJMESA-N 397.950 4.791 0 40 GJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CNc1ccc(OC(F)F)c(Cl)c1 96994324 XPVRPHUGJMBAGE-NSHDSACASA-N 386.801 4.712 0 40 GJAB COc1ccc(OC)c(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c1 97151160 MNKWYFVTIBKVQU-GFCCVEGCSA-N 382.287 4.773 0 40 GJAB Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(C(F)(F)F)nn32)cc1 102930088 OCQPWGHGRUDGHX-OAHLLOKOSA-N 376.382 4.913 0 40 GJAB O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 107004954 ZNZRUIBQXKXJJD-UHFFFAOYSA-N 384.328 4.637 0 40 GJAB Cc1noc(-c2sccc2NC(=O)C2c3ccccc3Oc3ccccc32)n1 207959215 YAQPQMRRERNCLT-UHFFFAOYSA-N 389.436 4.983 0 40 GJAB CCCSc1nnc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)s1 225088108 OMNJONMJHSZWNZ-UHFFFAOYSA-N 390.578 4.524 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 225484506 VKFOZTUVURCAMB-REWPJTCUSA-N 394.559 4.568 0 40 GJAB Cc1cc(NC(=S)NC2(c3cccnc3)CCCC2)ccc1Br 225854147 BCHVLRJGXUTWLF-UHFFFAOYSA-N 390.350 4.908 0 40 GJAB COc1ccc(-c2ccc(C(=O)n3cc(CO)c4ccccc43)o2)cc1Cl 226765072 GKSFLGUPYLVJJU-UHFFFAOYSA-N 381.815 4.744 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1-c1cn2c(n1)SCC2 253470975 AINLHDHKBIXSBG-UHFFFAOYSA-N 385.876 4.570 0 40 GJAB O=C(O)Cc1sc(=Nc2cc(Cl)cc(Cl)c2)[nH]c1-c1cccs1 408890292 QXYHJBOSWRZLBR-UHFFFAOYSA-N 385.297 4.971 0 40 GJAB CCc1ccccc1NCc1ccccc1OS(=O)(=O)c1ccc(C)cc1 409121967 ZMIIDHCDZNNTHA-UHFFFAOYSA-N 381.497 4.937 0 40 GJAB Cc1ccc(C)c(C2=NO[C@@H](C(=O)N[C@H]3CCC(C)(C)c4ccccc43)C2)c1 1535582613 XRNGZTMGUCVKAN-RBBKRZOGSA-N 376.500 4.725 0 40 GJAB CCOC(=O)C(C)(C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 915827 GUUCLSWFSPZGFK-UHFFFAOYSA-N 379.485 4.639 0 40 GJAB COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cc1 1013796 SLVQIXLOABMZKC-ZDUSSCGKSA-N 387.501 4.699 0 40 GJAB Cc1ccc(C)n1[C@H](CC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCO2 1393760 YTJTUJISQFRVIV-LJQANCHMSA-N 380.419 4.591 0 40 GJAB O=S1(=O)CC[C@H](Sc2ccc(Br)cc2)c2ccsc21 1398512 RFFJTWSSVRFTOR-LBPRGKRZSA-N 375.334 4.521 0 40 GJAB CCCOc1c(Cl)cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1OC 2081640 HGJZFVNVRGOLJW-MHWRWJLKSA-N 389.810 4.621 0 40 GJAB CSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C 2228562 ZNPAJPUULYQYQI-LBPRGKRZSA-N 396.541 4.565 0 40 GJAB CCCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2290910 MPMOAPJBGJJELU-UHFFFAOYSA-N 391.519 4.587 0 40 GJAB O=C1C[C@@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccc(Cl)c(Cl)c1 2342360 CXYWYBIOVLQGLH-GOSISDBHSA-N 385.250 4.891 0 40 GJAB CCCOC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2423964 GZOFJNTYZQAWDS-UHFFFAOYSA-N 398.825 4.515 0 40 GJAB CN(C)c1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1 2427363 JIRUIYHTELBBEA-UHFFFAOYSA-N 384.435 4.778 0 40 GJAB CC(C)N(C(=O)COC(=O)c1ccccc1Cc1ccccc1)c1ccccc1 3225367 KAEFLSJIXVAMTQ-UHFFFAOYSA-N 387.479 4.876 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccccc1F)c1ccccc1 3390491 OGQZSDDETZTHDU-OAQYLSRUSA-N 393.414 4.761 0 40 GJAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F 3458837 NNJXSUWXVRTJEB-UHFFFAOYSA-N 394.212 4.577 0 40 GJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1cccc(OC)c1 4849344 XPUOWVDQQFBJSH-UHFFFAOYSA-N 382.485 4.545 0 40 GJAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4)nc3c1[C@H]2c1ccccc1 5149803 IRKYVELXCPASLO-FQEVSTJZSA-N 392.418 4.783 0 40 GJAB O=C1S/C(=C/c2ccccc2)C(=O)N1CNc1ccccc1C(F)(F)F 5338282 CXWUIBGBSBCEKY-XNTDXEJSSA-N 378.375 4.811 0 40 GJAB COc1cccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)c1 6405247 ODBNFCZZLRXJDP-HZHRSRAPSA-N 398.462 4.952 0 40 GJAB CC(C)Sc1nc(SCCN(C)C)c2sc3c(c2n1)COC(C)(C)C3 6759817 HZEOBTCZDCVTPR-UHFFFAOYSA-N 397.635 4.697 0 40 GJAB CC(C)n1nc(C(=O)Nc2ccccc2Cc2ccccc2)c2ccccc2c1=O 6942821 IOBQCRKFUNBQIC-UHFFFAOYSA-N 397.478 4.821 0 40 GJAB COc1cc(C(=O)N[C@H]2CCOc3ccccc32)ccc1OCc1ccccc1 7215580 NKKGGJAYYIIBBY-FQEVSTJZSA-N 389.451 4.528 0 40 GJAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c1 7763646 QHWACNNPKOMBCY-ZDUSSCGKSA-N 384.530 4.769 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c(C)c1 7928024 SFNVYFGRXFFEHB-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cc1cccc2nc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)cn12 8216502 JFHLDWKCOPREAO-LJQANCHMSA-N 379.510 4.554 0 40 GJAB CC(C)Sc1ccccc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 8479225 FCWMHVDMTDKCBC-DHZHZOJOSA-N 380.557 4.658 0 40 GJAB Cc1ccc(NC(=O)N(C)Cc2ccco2)cc1NC(=O)N(C)Cc1ccco1 9958800 HTFUJEMFRKFGDV-UHFFFAOYSA-N 396.447 4.509 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc(C)c(-c2ccccn2)s1 12563622 TWFZGQUUIDTIFR-UHFFFAOYSA-N 393.497 4.593 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1COc1ccccc1 12925993 DROIFPFQDYASTA-UHFFFAOYSA-N 384.479 4.996 0 40 GJAB S=C(Nc1ccc2c(c1)OCCO2)NC(c1ccccc1)c1ccccc1 17449273 GJZBDHKKLRYANX-UHFFFAOYSA-N 376.481 4.534 0 40 GJAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccc(F)cc3)cc2n1 19116877 QEQUGOBKUSVOFT-MRXNPFEDSA-N 378.373 4.533 0 40 GJAB O=C1c2ccccc2N[C@@H](c2cc(Cl)cc3c2OCOC3)N1c1ccccc1 19625191 LTGUUHFSNQYWRO-OAQYLSRUSA-N 392.842 4.978 0 40 GJAB O=C(N[C@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 19799979 WVICZZJMDUZPQK-CQSZACIVSA-N 384.134 4.642 0 40 GJAB O=C(NCCC1=CCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 19913533 PTNAXCBVCOAWBQ-UHFFFAOYSA-N 378.919 4.698 0 40 GJAB O=C(COc1ccccc1Cl)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20144575 MUWLEIHAIXTMLR-UHFFFAOYSA-N 392.238 4.763 0 40 GJAB CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)c2c[nH]c3ccccc23)cc1 21619979 LLVFOPKVDINRGW-HXUWFJFHSA-N 377.532 4.918 0 40 GJAB CCOc1c(Cl)cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OC 23163557 VWDZTVFANQGYLG-WJDWOHSUSA-N 388.876 4.830 0 40 GJAB CCc1cc2c(Sc3nnc(-c4cccc(OC)c4)n3CC)ncnc2s1 24060364 BINQWYNIZFBQEZ-UHFFFAOYSA-N 397.529 4.692 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1csc(-c2ccccc2)n1 26791797 HDUCNJWHYYNSKX-UHFFFAOYSA-N 388.496 4.543 0 40 GJAB O=C(NCc1cn2ccccc2n1)c1ccccc1-c1ccc(C(F)(F)F)cc1 28833601 MSMSAVNFUUDBCO-UHFFFAOYSA-N 395.384 4.950 0 40 GJAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccoc1C 32609853 KPTZYIJPVVTVNI-UHFFFAOYSA-N 393.365 4.709 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-c3nc(C)no3)cc2)cc1 36396444 COOSXSFNINZKFG-OAQYLSRUSA-N 391.471 4.811 0 40 GJAB O=C(Nc1ccc(-c2ccno2)cc1)c1cc(C2CC2)nc2onc(C3CC3)c12 36617467 MLPQKCUUCCBATO-UHFFFAOYSA-N 386.411 4.885 0 40 GJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H]1c1ccncc1 36661940 MHPFIGMYMAXUFN-SFHVURJKSA-N 381.863 4.686 0 40 GJAB CC[C@@H](C)n1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 39556256 UUQUORHGZDLXDG-RVZJCZPVSA-N 391.446 4.844 0 40 GJAB CC(C)(C)[C@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1cccs1 48278934 OSIMQGJFKCOSIF-LJQANCHMSA-N 385.533 4.779 0 40 GJAB CCS[C@@H]1CC[C@@H](NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1 72303497 PEYPQVSPDYSGKM-HUUCEWRRSA-N 385.957 4.787 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)s1 96100271 AKTWIBLGIBDTGQ-OAQYLSRUSA-N 380.557 4.632 0 40 GJAB CCc1sc(N2C(=O)[C@H]3[C@@H]4CC[C@H](C4=C(C)C)[C@H]3C2=O)nc1-c1ccccc1 100251315 SJECLOIEXPEKND-RGCFKVTRSA-N 392.524 4.854 0 40 GJAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(Br)cc3)c2)n1 170564419 MDYHWZCAYYAWEY-UHFFFAOYSA-N 397.276 4.852 0 40 GJAB O=C(NCc1ccc([C@H](O)c2ccco2)s1)Nc1cccc(C(F)(F)F)c1 206688975 IVFRVRBPVGJWTI-MRXNPFEDSA-N 396.390 4.763 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)cc1C 216030675 XMHLCNOWZWFOOJ-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(Cl)c2)cc1OCC 222714885 LKOGBNVQSRIFLX-CYBMUJFWSA-N 377.868 4.637 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccccc1OC 224239591 JMGUZDBGRSGLCF-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB COc1cccc(OCc2cc(C(=O)Nc3cccc(C)c3)ccc2OC)c1 224251283 UECQCQNNGZBBLI-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NC1CCCC1 224489204 OUQFFEHKIQAFCJ-GOSISDBHSA-N 399.362 4.960 0 40 GJAB Cc1ccc(CSCCNC(=S)Nc2ccc(Br)cc2)cc1 225292369 AWNPYJWCWRKKOO-UHFFFAOYSA-N 395.391 4.977 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(F)cc1F 225686735 XHZBPNGSLGWQHQ-INIZCTEOSA-N 378.444 4.562 0 40 GJAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3cc(Cl)ccc3Cl)c2c1 225755242 RCLSSOVLJATRCH-UHFFFAOYSA-N 375.255 4.564 0 40 GJAB COc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1ccc(C)cc1 408605349 GPUFCZLEQHBIFB-UHFFFAOYSA-N 377.440 4.893 0 40 GJAB COc1ccc(Br)cc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 409106322 LDGXEMHWOVSEAJ-QPEQYQDCSA-N 398.178 4.969 0 40 GJAB COc1ccc(Nc2nc(C(=O)N3CCc4cccc(F)c4[C@@H]3C)cs2)cc1 530583626 RFWFJWKDNVOSSC-ZDUSSCGKSA-N 397.475 4.794 0 40 GJAB COc1ccc2nc(Cl)c([C@@H]3NC(=O)c4c(sc5c4CCCC5)N3)cc2c1 976991 ZAOKWVXCVDGNSH-GOSISDBHSA-N 399.903 4.691 0 40 GJAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCC[C@@H](C)C1 1341138 ARXVHPMSOSCHPC-OAHLLOKOSA-N 394.519 4.521 0 40 GJAB CCCc1nc(SCC(=O)N2CCC(C)CC2)c2c(C)c(C)sc2n1 1372214 DAWNKNDYAXKDGT-UHFFFAOYSA-N 377.579 4.611 0 40 GJAB CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)=O)c3C1)CCC4)CCC2 1622957 HKQNTYQEGLHKLM-UHFFFAOYSA-N 384.519 4.953 0 40 GJAB CC[C@@H](C)n1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21 2235461 RPIOOZCVQOFFQC-CYBMUJFWSA-N 392.459 4.643 0 40 GJAB CCCCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O 2657237 GYIDMUVUYPJWTD-INIZCTEOSA-N 395.528 4.624 0 40 GJAB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 4280304 RMZFHHPIKNZYIN-JOCHJYFZSA-N 396.450 4.830 0 40 GJAB CN(C)CCCN(C(=O)c1ccc(Cl)cc1)c1nc2ccc(F)cc2s1 4359565 PUKOZPBVSGQBHN-UHFFFAOYSA-N 391.899 4.687 0 40 GJAB CC[C@H](SC1=NCCS1)C(=O)Nc1nc(-c2ccccc2)c(C)s1 4813614 FWFVQYBFBPFQAD-ZDUSSCGKSA-N 377.560 4.672 0 40 GJAB CCCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccoc1C 4860437 INCXERLRSOILAB-UHFFFAOYSA-N 384.505 4.550 0 40 GJAB CCN(Cc1ccncc1)C(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 4878355 XDCKDRQEIQBVMS-UHFFFAOYSA-N 397.478 4.968 0 40 GJAB CCN(C(=O)COC(=O)CCSc1ccccc1Cl)C1CCCCC1 5446113 SXUBBEVSPXMNNV-UHFFFAOYSA-N 383.941 4.547 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 6152254 ZFSBJANLVGMBLV-FQEVSTJZSA-N 378.859 4.840 0 40 GJAB CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 6654819 XUESEZCUYVRVBM-ZROIWOOFSA-N 378.247 4.765 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1 6812334 JMCTYATXGGJKNJ-GOSISDBHSA-N 393.487 4.558 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 6948013 CZOSZXWDSJBIDP-UHFFFAOYSA-N 396.661 4.916 0 40 GJAB CCCc1ccc([C@H](NCC(=O)Nc2cc(OC)ccc2OC)C(C)C)cc1 7851382 LRFULFJEECXJFC-HSZRJFAPSA-N 384.520 4.582 0 40 GJAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H](c2nc3ccccc3s2)C1 7987754 GJCJPGSTFIJENE-NSHDSACASA-N 398.962 4.580 0 40 GJAB CCCCCn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 8625529 DPAIJUHXNAPKFI-KRWDZBQOSA-N 377.488 4.756 0 40 GJAB Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 8868306 RQGSTTHAOQQEMG-NRFANRHFSA-N 385.419 4.748 0 40 GJAB Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2)c(SCC(=O)OC(C)C)n1 9250066 PNYCDULFQODFJE-UHFFFAOYSA-N 392.908 4.648 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)NOCc3ccccc3)cccc2c1=O 9855171 VDMMXEZHNGPOEM-UHFFFAOYSA-N 385.419 4.630 0 40 GJAB O=C(Nc1ccc(Br)cc1F)c1ccc(CN2CCCCC2)cc1 10328866 ALYRIYFESWNXBQ-UHFFFAOYSA-N 391.284 4.826 0 40 GJAB COc1ccc(CCC2CCN([C@@H](C)C(=O)Nc3ccccc3F)CC2)cc1 11419925 NNSCUNJMTAAAJM-KRWDZBQOSA-N 384.495 4.506 0 40 GJAB COc1ccc(-n2cnnc2SCc2cc3ccccc3nc2Cl)cc1 12534575 WEWRHBOFIBWFEK-UHFFFAOYSA-N 382.876 4.770 0 40 GJAB CC(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@H]1c1ccc2nccnc2c1 12821388 WMFXGNOSFBWNAA-IBGZPJMESA-N 385.254 4.634 0 40 GJAB CSc1nc(-c2ccco2)nc(C)c1C(=O)O[C@H](C)C(=O)c1ccc(C)cc1 12907997 KPZLEBNRIYXRCR-CQSZACIVSA-N 396.468 4.504 0 40 GJAB COc1c(Cl)cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1Br 14011463 VJCKGCQAWKDFOU-IZZDOVSWSA-N 390.686 4.556 0 40 GJAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1 14401732 GBYKNNWSSKSADV-JTQLQIEISA-N 384.657 4.517 0 40 GJAB Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2CC2CCCCC2)c1C 19558539 NTPJRHNXMYLMFC-LJQANCHMSA-N 383.540 4.532 0 40 GJAB CCn1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(=O)c2cc(C)ccc21 22234824 APUWGWHQJJTFIT-UHFFFAOYSA-N 392.352 4.740 0 40 GJAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@H]1COc2ccccc2C1 24964408 SHOPYMFHBMHECH-IFMALSPDSA-N 396.490 4.667 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 27385123 PTJMBTIWBRXJPP-CQSZACIVSA-N 390.936 4.740 0 40 GJAB CCCCOc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C(C)(C)C 27823431 OYPSGONUYNEJFH-IAGOWNOFSA-N 381.582 4.830 0 40 GJAB Cc1ccc(-c2nnc([C@H](C)OC(=O)CCn3ccc4ccccc43)o2)cc1 28325028 ZFORGUZHDQVHHB-INIZCTEOSA-N 375.428 4.694 0 40 GJAB Cc1ccc(-c2nc(CSCc3cc(=O)n4cc(C)ccc4n3)cs2)cc1 32778695 WWIYGQAUVUWDCO-UHFFFAOYSA-N 393.537 4.868 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3cnccn3)C3CCCC3)c(Cl)nc2c1 35290947 QPIIPPMTFGLIHH-UHFFFAOYSA-N 380.879 4.572 0 40 GJAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1c(Cl)nc2ccccn12 47250220 ZWPZOXHRBRWHAN-MRXNPFEDSA-N 385.851 4.708 0 40 GJAB O=C(Nc1ccc(F)cc1Br)c1cc(-c2cccc(Cl)c2)[nH]n1 57412631 GPFNZODHYMEQAB-UHFFFAOYSA-N 394.631 4.884 0 40 GJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(C)c3C)n2)cc1 57486800 UBDKFGROWFGEPI-UHFFFAOYSA-N 386.455 4.769 0 40 GJAB Cc1cccc(-c2cc(NC(=O)NCc3cccnc3)n(Cc3ccccc3)n2)c1 58054812 FXYZMRCGUQJNOX-UHFFFAOYSA-N 397.482 4.624 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2F)nc1 67296529 AMPGMERVFUNOIB-ROMGYVFFSA-N 391.377 4.899 0 40 GJAB Cc1cccc2c(C[C@@H](C)NC(=O)CCc3nc4cc(Cl)ccc4[nH]3)c[nH]c12 72390339 IHUIWQOYQUFBMP-CQSZACIVSA-N 394.906 4.686 0 40 GJAB CN(C)c1ccc(NC(=O)c2cc(-c3cccs3)on2)c(C(F)(F)F)c1 83854238 DFSWBWOGIVEUHO-UHFFFAOYSA-N 381.379 4.740 0 40 GJAB COc1ccc(C2=CCN(C(=O)N[C@H]3CCSc4c(F)cccc43)CC2)cc1 83943689 JHYTWFSKVILFAN-FQEVSTJZSA-N 398.503 4.870 0 40 GJAB O[C@H](CNc1nc(C2CC2)nc2scc(-c3ccccc3)c12)C(F)(F)F 84564662 VAEULYVCIFYGCC-CYBMUJFWSA-N 379.407 4.571 0 40 GJAB Oc1cccc(Nc2nc3nonc3nc2Nc2cc(Cl)ccc2Cl)c1 98086417 OIDSIQJVTHQIJR-UHFFFAOYSA-N 389.202 4.512 0 40 GJAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@@H](c3ccccn3)C2=C(O)C1 102623430 GBUODSHDYJGEIU-IBGZPJMESA-N 387.443 4.819 0 40 GJAB COc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 216287103 GCXAHFCXDSFGBF-JPYJTQIMSA-N 375.468 4.677 0 40 GJAB COC(=O)c1c(C)n(C(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc12 216917363 UCRVBRWECICITA-UHFFFAOYSA-N 385.847 4.888 0 40 GJAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccc(=O)[nH]c1 217651724 FNYDVYSFZYBBCV-UHFFFAOYSA-N 391.427 4.557 0 40 GJAB CC[C@@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(OC)c(OC)c1 218926501 AKULXEOXLVEHBM-QGZVFWFLSA-N 391.895 4.620 0 40 GJAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2cccc(C)c2)cc1C(C)C 223322456 DTHVUDVMGKWICU-KRWDZBQOSA-N 375.534 4.616 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cc(C)cc(C)c1 224092229 SWQIXQCSDSDXJX-HSZRJFAPSA-N 377.484 4.809 0 40 GJAB O=C(COc1ccc2c(c1)CCCC2)NCCSCc1ccccc1Cl 224960393 RTCXSOGPDCITGY-UHFFFAOYSA-N 389.948 4.647 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1 225362370 FRRGDNMLNMUXFD-UHFFFAOYSA-N 397.471 4.693 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225699060 NAZBPFAYDNGPBQ-QHCPKHFHSA-N 390.568 4.721 0 40 GJAB NC(=O)c1cc(-c2ccc3ccccc3c2)nc2ccc(Br)cc12 226360388 SQELCRBFFMGRGE-UHFFFAOYSA-N 377.241 4.916 0 40 GJAB O=C(NCc1cccnc1-c1cccnc1)c1cccc(Oc2ccc(F)cc2)c1 238921034 TWPHWRZVBKOKFI-UHFFFAOYSA-N 399.425 5.005 0 40 GJAB Cc1cc(N2CCC(CNC(=O)c3ccc(-c4ccsc4)cc3)CC2)ccn1 245060753 PZUWFALPVOBCJC-UHFFFAOYSA-N 391.540 4.765 0 40 GJAB Cn1c2c(s/c1=N\C(=O)c1ccc(Cl)cc1Cl)CCc1ccccc1-2 409203847 ZVWXFTLXIPRSET-QOCHGBHMSA-N 389.307 4.900 0 40 GJAB CC(C)(C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccc(F)cc1 537457532 HRQXKGMPJNVXIX-UHFFFAOYSA-N 375.403 4.945 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)C1(c2cccs2)CCCC1 1775968371 DJZOUWIJLREBEO-AWEZNQCLSA-N 387.526 4.731 0 40 GJAB CO[C@H]1C[C@@H]2CN(Cc3ccsc3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242850 VULJLCQXBLMLIV-UDKICSLYSA-N 381.545 4.504 0 40 GJAB O=C(c1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O 822916 WQNAJUFIZRHHDS-UHFFFAOYSA-N 377.399 4.871 0 40 GJAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 1013168 YIHHYXHFMIAISE-FLGOTCTISA-N 399.855 4.861 0 40 GJAB O=C1NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)S1 1013701 RPHITZWRJMOWKO-VIZOYTHASA-N 380.252 4.896 0 40 GJAB O=C(NCc1cc(-c2ccccc2)no1)c1cc(-c2ccccc2Cl)no1 1389680 PXFDJRXLZFWIAK-UHFFFAOYSA-N 379.803 4.580 0 40 GJAB O=S1(=O)CC[C@@H](Sc2ccc(Br)cc2)c2ccsc21 1398513 RFFJTWSSVRFTOR-GFCCVEGCSA-N 375.334 4.521 0 40 GJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCC2 1903840 BFWGXPCZOMKROW-ZHACJKMWSA-N 375.877 4.719 0 40 GJAB CCCCCCOC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2234421 YWMABOKOPSEIBV-UHFFFAOYSA-N 382.508 4.950 0 40 GJAB Cn1c(NC(=O)c2ccccc2F)c(-c2cccs2)c(=O)c2ccccc21 2346864 CUGOBZQNSXADJW-UHFFFAOYSA-N 378.428 4.658 0 40 GJAB Cc1ccc(CN2CCc3c(OCc4ccc(F)cc4)cccc3C2=O)cc1 2716403 TVAPJTSMQSBIAD-UHFFFAOYSA-N 375.443 4.912 0 40 GJAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)o1 3220150 PQYAEQIPUMGGMI-INIZCTEOSA-N 379.412 4.873 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)c1 3221814 DPPMSTXBHMYFKE-RFAWQRTRSA-N 399.446 4.826 0 40 GJAB O=C(/C=C/c1ccco1)OCC(=O)N1c2ccccc2Sc2ccccc21 3247372 BGVZBUCSWJOQHA-VAWYXSNFSA-N 377.421 4.666 0 40 GJAB COc1cc(/C=C/C(=O)OC2CCC(C(C)(C)C)CC2)cc(OC)c1OC 3287619 QWHNWAAPVZNCCO-KPKJPENVSA-N 376.493 4.874 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(OC[C@@H]2CCCO2)cc1 3351861 WNJYMHYCVWAJNI-QHCPKHFHSA-N 387.479 4.764 0 40 GJAB Fc1ccc([C@H]2c3[nH]cnc3CCN2C(=S)Nc2ccccc2Cl)cc1 4033734 HZRGTUBANBKONR-SFHVURJKSA-N 386.883 4.547 0 40 GJAB Cc1nc(-c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)c(C)c2)no1 4742107 ODWVDSJLGRHAJJ-CYBMUJFWSA-N 385.851 4.721 0 40 GJAB C[C@@H](Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)c1ccccc1 6072833 XGECAUJLYBOZFH-OAHLLOKOSA-N 386.403 4.816 0 40 GJAB biogenic Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1 6850346 KGIKNFFXODODJP-UHFFFAOYSA-N 386.860 4.567 0 40 GJAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1Cl 7002994 KFFWVFNBQFSDAC-AWEZNQCLSA-N 375.875 4.909 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1 7406634 BISSCAKZBUGWOR-UHFFFAOYSA-N 385.876 4.603 0 40 GJAB CCOC(=O)c1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1 7520404 VRHCXYKHIVIQHR-UHFFFAOYSA-N 388.467 4.937 0 40 GJAB CCOc1ccc(CC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 7614753 DEDTUKJUCCCEAS-UHFFFAOYSA-N 383.498 4.794 0 40 GJAB O=C(COc1ccc2ccccc2c1)Nc1ccnn1Cc1ccccc1Cl 8187514 PFKCUKQSDYNYQQ-UHFFFAOYSA-N 391.858 4.756 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)c3ccc4[nH]cnc4c3)sc2C)cc1 8725300 XRMKPHBENDRJLM-UHFFFAOYSA-N 378.457 4.646 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1 9625381 OOXATPWWXWJCJM-UHFFFAOYSA-N 394.500 4.894 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 10445975 PZXMZIVKZTURMN-HNNXBMFYSA-N 389.879 4.848 0 40 GJAB Cc1ccc(Oc2ccccc2NC(=O)c2cc(C)nc3c2c(C)nn3C)cc1 14182710 PAQVPGMOQXFJOQ-UHFFFAOYSA-N 386.455 4.938 0 40 GJAB CC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 15627362 NSEKRAFWJRDBQZ-UHFFFAOYSA-N 385.876 4.603 0 40 GJAB Cc1cccc(C(=O)NCc2c(-c3ccc(Cl)cc3)nc3n2CCS3)c1C 17135612 BLNKCFZUULNGAM-UHFFFAOYSA-N 397.931 4.856 0 40 GJAB COc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccs2)cc1 17310337 VCWHOGNAMHTILH-UHFFFAOYSA-N 389.524 4.958 0 40 GJAB CC(C)c1nc2cc(NC(=O)c3ccc(Oc4ncccn4)cc3)ccc2n1C 19453815 OWIQZVUZKKKKGS-UHFFFAOYSA-N 387.443 4.531 0 40 GJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(C(C)C)cc1 20143943 XZFLPQPZSAQGLO-UHFFFAOYSA-N 379.456 4.888 0 40 GJAB COc1cccc(C(=O)Nc2cc(-c3ccccc3F)nn2-c2ccccc2)c1 21944898 LDJIVBXNTYHEQA-UHFFFAOYSA-N 387.414 4.939 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1c(F)cccc1F 22907741 WNOQZRVNRZYNPL-IBGZPJMESA-N 398.478 4.556 0 40 GJAB O=C(c1ccc2c(c1)OCCCO2)N1CCCC[C@@H]1c1nc2ccccc2s1 24386643 RHMPEMTZUNWZGK-QGZVFWFLSA-N 394.496 4.825 0 40 GJAB O[C@H](COc1ccc(Cl)cc1)CN(Cc1cccc(F)c1)Cc1ccco1 28580842 JFBUPNSEJLOYHQ-IBGZPJMESA-N 389.854 4.514 0 40 GJAB COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)cc1Cl 32072866 IRWZGRVGBDICHD-UHFFFAOYSA-N 395.802 4.510 0 40 GJAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 32721700 DHWCXKZEZPIKEL-UHFFFAOYSA-N 381.435 4.570 0 40 GJAB Cc1nn(C)c(C)c1/C=C/C(=O)N(Cc1ccccc1)[C@H](C)Cc1cccs1 32988543 YFFARCPGTYETBX-GZKZCVOOSA-N 393.556 4.772 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 32999416 LYPYOQPGWGPARH-AWEZNQCLSA-N 376.456 4.722 0 40 GJAB Cc1ccc(NC(=O)CSCc2cc(=O)c3cc(C)cc(C)c3[nH]2)c(C)c1 33063700 DUOKJZOBPREUKR-UHFFFAOYSA-N 380.513 4.634 0 40 GJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc(F)c(F)cc1Cl 40039842 HXIWWXUYWJJCIT-UHFFFAOYSA-N 385.748 4.635 0 40 GJAB CCOC(=O)CSc1ncc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1 44085519 SVKBEUKXCGLGEK-UHFFFAOYSA-N 382.485 4.512 0 40 GJAB O=C(Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1)c1cccnc1 48332055 LMTBNLAZTRZOEW-LJQANCHMSA-N 392.484 4.764 0 40 GJAB CCOC(=O)c1cc2cc(NC(=O)N3CCc4sccc4C3)ccc2s1 48344321 SVCYGBUOWWJAIY-UHFFFAOYSA-N 386.498 4.730 0 40 GJAB CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC(F)(F)F)cc1 49004486 FLJRLUYXJFUBQJ-UHFFFAOYSA-N 391.349 4.757 0 40 GJAB Cc1cc(C)nc(Nc2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cs2)n1 56924570 KSEYWKHUPJPUJH-UHFFFAOYSA-N 393.394 4.565 0 40 GJAB O=C(NC1CC1)c1ccc(NC(=O)N2CCC[C@@H]2C2CCCCC2)cc1Cl 58162048 XNFMZRTZLZLQPQ-LJQANCHMSA-N 389.927 4.809 0 40 GJAB COc1ccccc1S(=O)(=O)N(c1ccc2[nH]ccc2c1)[C@@H](C)CC(C)C 58208752 LFLNVWTWGUQDCT-INIZCTEOSA-N 386.517 4.806 0 40 GJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1F)CO3 58979807 VBMCAJKJJZFFMR-UHFFFAOYSA-N 381.447 4.935 0 40 GJAB biogenic CC(C)n1ncc(C(=O)Nc2cccc(CN3CCCCC3)c2)c1C(F)(F)F 60337221 GBUZKLMNXTYYLE-UHFFFAOYSA-N 394.441 4.721 0 40 GJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1F)n1c(-c2cccs2)n[nH]c1=S 65511887 JZVZYQIYGDPCHS-QMMMGPOBSA-N 382.873 4.661 0 40 GJAB Cc1cccc(N(C)C(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)c1 67257465 PXKJEUQAKXCCIY-UHFFFAOYSA-N 381.476 4.655 0 40 GJAB Nc1c(Br)cc2nc(-c3cccc(F)c3)oc2c1Br 70461360 DZAHMBZFRWAUBM-UHFFFAOYSA-N 386.018 4.741 0 40 GJAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2cc(C(F)(F)F)ccc2F)C1 72403954 MQTYFHJEDLFSGE-GFCCVEGCSA-N 379.313 4.806 0 40 GJAB Brc1ccc2nc(CSc3ccc4c(c3)OCCCO4)cn2c1 84490275 QDIBOJBSPFNOKK-UHFFFAOYSA-N 391.290 4.550 0 40 GJAB Cc1cc(C)cc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)c1 100423355 YWXMVOUIRFGRES-FGZHOGPDSA-N 379.573 4.785 0 40 GJAB Oc1cccc(C2=NN3[C@H](c4cccnc4)Oc4ccc(Cl)cc4[C@H]3C2)c1 102829012 QXPFBEUXAKNZHZ-CTNGQTDRSA-N 377.831 4.683 0 40 GJAB COc1cccc(-c2nsc(NC(=O)c3cc(Cl)ccc3Cl)n2)c1 102911018 UEWGMAFVSIHJCI-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1C 103718504 XYDFJISISWGUAL-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 222936045 ZDMVXQSABVPPFF-LEWJYISDSA-N 377.513 4.970 0 40 GJAB CCc1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1OC 223686381 RTVMBOAZAYNMFF-UHFFFAOYSA-N 383.469 4.851 0 40 GJAB CCc1ccccc1N(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224613375 IASRQBFGEUKUGK-UHFFFAOYSA-N 388.316 4.780 0 40 GJAB COc1ccccc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257243844 IIUOXCQJRMLURT-IBGZPJMESA-N 396.874 4.905 0 40 GJAB Cc1cc(-c2c(C)noc2C)nc([C@H]2CCCCN2C(=O)c2ccc(F)cc2)n1 257260441 LCVQAEIIMBVSSN-LJQANCHMSA-N 394.450 4.563 0 40 GJAB COc1ccc(Br)c(C(=O)NCc2ccc(-c3ccoc3)cc2)c1 390830405 KWNRMOSSYRWHTQ-UHFFFAOYSA-N 386.245 4.648 0 40 GJAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCCCC1)Oc1ccccc1 409002895 QCIWVCIEHFTTAD-QFIPXVFZSA-N 394.515 4.615 0 40 GJAB O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCC[C@@H]2COCC[C@H]21 531796842 XGIGIAVYPPSKOT-WIYYLYMNSA-N 385.891 4.560 0 40 GJAB COc1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)cc1 622043 CKKBMXQJCGCPOW-UHFFFAOYSA-N 398.054 4.611 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)NCc4ccc(C)cc4)c(N)c3cc2C1 661952 HWILETZKNCITDK-CQSZACIVSA-N 379.529 4.632 0 40 GJAB COc1cc(NC(=O)C(C)C)c(OC)cc1NC(=O)Nc1ccccc1Cl 1324330 OXJHFRDYZFAETM-UHFFFAOYSA-N 391.855 4.596 0 40 GJAB Cc1nc(SCC(=O)N(C(C)C)C(C)C)c2c3c(sc2n1)C[C@@H](C)CC3 1326244 KYGUPYRWTCZEFN-ZDUSSCGKSA-N 391.606 4.862 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)Cc1cccc(F)c1 1330023 DDVBYTWAVYFWAI-UHFFFAOYSA-N 387.410 4.775 0 40 GJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cccc(C(=O)OC)c1 1339989 HHRFLUGPLZBWJT-UHFFFAOYSA-N 394.496 4.623 0 40 GJAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)c3ccccc3)c(=O)[nH]c2c1 1359119 MYBPIXLXKONJDW-UHFFFAOYSA-N 396.490 4.722 0 40 GJAB CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1ccc(C)cc1C 1903974 GZKPBURBXJYHSB-UHFFFAOYSA-N 389.517 4.902 0 40 GJAB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1cccc(Br)c1)CO3 2119829 VGHKIXQKOFTUBS-UHFFFAOYSA-N 386.245 4.529 0 40 GJAB biogenic O=c1c2cc3c(nc2nc(SCc2ccccc2)n1-c1ccccc1)CCCC3 2287590 RWKQHGSNGRRTBK-UHFFFAOYSA-N 399.519 4.952 0 40 GJAB Cc1nc2sc3c(c2c2nc(-c4ccc(N(C)C)cc4)nn12)C[C@@H](C)CC3 2330087 DRYNTWVZWWYHND-LBPRGKRZSA-N 377.517 4.505 0 40 GJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc2ccccc2s1 2653174 MEHWXKCHIURKMB-UHFFFAOYSA-N 388.448 4.545 0 40 GJAB COc1cccc(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)c1 2806387 SHXLFEFPJAHZNA-UHFFFAOYSA-N 382.423 4.532 0 40 GJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)OCO3)cc1OCC 3402608 UCAQHDYILMOCNP-UHFFFAOYSA-N 377.824 4.509 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2ccc(O)cc2)c2ccccc2)c1 3441607 OTZGLKQHRMREPC-OAQYLSRUSA-N 375.424 4.546 0 40 GJAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccc2ncsc2c1 4088323 QAODIQNVEGGZFB-UHFFFAOYSA-N 390.287 4.921 0 40 GJAB Cc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1ccc2c(c1)OCO2 4127495 ZDHGZFSJXCBCKB-UHFFFAOYSA-N 380.469 4.620 0 40 GJAB COc1cc(OC)cc(-c2nnc(S)n2-c2cc(Cl)cc(Cl)c2)c1 4624279 NGYVPYJSGRZEIG-UHFFFAOYSA-N 382.272 4.547 0 40 GJAB CCn1c(SCc2nc(-c3ccccc3C)no2)nnc1-c1ccccc1 5311657 HSKFVOTYNIGAJJ-UHFFFAOYSA-N 377.473 4.616 0 40 GJAB COc1ccc([C@H]2CC(c3sc(Nc4ccc(C)cc4)nc3C)=NN2)cc1 5553261 MMEVDWJRTLDSAD-GOSISDBHSA-N 378.501 4.951 0 40 GJAB CCc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 6418951 PLSZVFBCZDQTET-UHFFFAOYSA-N 387.936 4.629 0 40 GJAB Cc1c(O)ccc2c(CN[C@@H](C)c3ccc(Cl)cc3Cl)cc(=O)oc12 7267709 QMSIHMMLWTZRMG-NSHDSACASA-N 378.255 4.965 0 40 GJAB S=c1[nH]ncn1NCc1ccccc1OCc1ccc(Cl)cc1Cl 7602525 PKCWZHPFAHLGFP-UHFFFAOYSA-N 381.288 4.570 0 40 GJAB CCc1ccc2c(CN3CCC[C@@H]3c3cc(OC)ccc3OC)cc(=O)oc2c1 7718216 JOXPIAOAWKRIJZ-OAQYLSRUSA-N 393.483 4.710 0 40 GJAB Cc1ccccc1NC1=NN=C(c2cc(C)n(C[C@@H]3CCCO3)c2C)CS1 7849256 LMCYQYBZSCNLDC-KRWDZBQOSA-N 382.533 4.511 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccccc1Oc1ccccc1 7990636 WPBKNGCCWIWOKM-UHFFFAOYSA-N 394.858 4.809 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)c(C)c1 8497234 QQHAAOAKGOKHOU-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB Cc1ccoc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)c1c[nH]c2ccccc12 8710419 CAPBUJYUZZDVEI-HXUWFJFHSA-N 387.483 4.697 0 40 GJAB COc1cc(CN(C)C(=O)N[C@@H](c2ccccc2)C2CC2)ccc1OC(F)F 9876962 RCAGVUJWFVIAKM-IBGZPJMESA-N 390.430 4.589 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1ccc(Br)cc1 10449675 ZBCUUARAZXIDKE-ZDUSSCGKSA-N 376.319 4.660 0 40 GJAB Cc1ccccc1-c1noc([C@H](C)NC(=O)c2cc3cccc(C)c3nc2C)n1 12201195 BFZPANPRJMOGTC-INIZCTEOSA-N 386.455 4.701 0 40 GJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cc(Cl)ccc1C)O[C@@H](C)C2 12765855 MNRLETKJCGJOSW-UONOGXRCSA-N 388.895 4.810 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)c3ccc([S@](C)=O)cc3)ccc21 12831663 LMIRSCAOZPKNPQ-HHHXNRCGSA-N 376.481 4.804 0 40 GJAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2ccccc2F)CC1 13001829 FUFLNGZPBNNXEJ-UHFFFAOYSA-N 398.865 4.697 0 40 GJAB O=C(C[C@@](O)(c1ccco1)C(F)(F)F)Nc1ccccc1Oc1ccccc1 14113898 FMPACJFJIWBGMD-LJQANCHMSA-N 391.345 4.851 0 40 GJAB CSc1ncccc1C(=O)Nc1nnc(SCc2ccc(C)cc2)s1 14696213 ZBBFGFOZUBALIS-UHFFFAOYSA-N 388.543 4.508 0 40 GJAB C[C@@H]1CC(=O)c2c(OCC(=O)N(Cc3ccccc3)C(C)(C)C)ccc(F)c21 15396347 MJPFFMOZZGAWIJ-OAHLLOKOSA-N 383.463 4.722 0 40 GJAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2cccnc12 15840645 FSTBDSMLHQQCAS-CQSZACIVSA-N 384.863 4.920 0 40 GJAB CCCOc1ccc(NC(=O)[C@H](CC)Oc2ccccc2F)c2cccnc12 15841013 PIRRJNCDWOJZDP-SFHVURJKSA-N 382.435 4.959 0 40 GJAB O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1cccc(Cl)c1Cl 16742308 YUUGDZMVIDKORF-UHFFFAOYSA-N 386.103 4.706 0 40 GJAB O=C(CCc1csc2nc(-c3ccccc3)cn12)NCCCc1ccccc1 16848761 LHJKFXWTMBVIEH-UHFFFAOYSA-N 389.524 4.744 0 40 GJAB O=C(CC[C@@H]1CCCO1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 19293002 DZMFMNWACBKMAT-LBPRGKRZSA-N 385.316 4.938 0 40 GJAB CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)nn12 20609714 SDODJQYGCHDWKD-UHFFFAOYSA-N 391.500 4.674 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 22245580 KIFKGTMGOJIPDW-AWEZNQCLSA-N 381.501 4.719 0 40 GJAB CCCCc1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1 23362432 VLFFPQFTYNDLDD-UHFFFAOYSA-N 389.484 4.743 0 40 GJAB COc1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCCCCC2)cc1 27795756 FUGTWLHBXXSGCS-NRFANRHFSA-N 386.923 4.696 0 40 GJAB biogenic COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1 30848229 WJGJIAZCHFMQGA-IBGZPJMESA-N 381.925 4.555 0 40 GJAB C[C@](CC(=O)NC[C@@H]1CCCO1)(c1cccc(C(F)(F)F)c1)c1cccs1 32093651 ZZCOGOSZHFZQDJ-LPHOPBHVSA-N 397.462 4.758 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CC1(c1ccccc1)c1ccccc1 32117890 TVVKUZNLZOBCLR-QHCPKHFHSA-N 380.491 4.833 0 40 GJAB biogenic,in-vitro CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 32740574 NOVKDRLTHJIHOT-UHFFFAOYSA-N 387.483 4.814 0 40 GJAB COC(=O)c1c(/C=C/c2c(C)nn(-c3ccccc3)c2Cl)cccc1OC 35973591 YLNJPEJTZVGTOF-OUKQBFOZSA-N 382.847 4.800 0 40 GJAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c(F)c1 36398726 XXGGPWNPZFTBLO-FQEVSTJZSA-N 386.517 4.843 0 40 GJAB CC(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1 36447045 JHKCVPMMUZVHHB-NRFANRHFSA-N 396.537 4.598 0 40 GJAB CCc1cc(C(=O)NC2CCCCC2)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621696 VZOYTGMDTVIVEU-UHFFFAOYSA-N 388.515 4.923 0 40 GJAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccc(Cl)cc2)c1 40267740 GSRXLWCLAGDGNN-HNNXBMFYSA-N 383.835 4.667 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 44937232 NNSCVDGDCZOQCU-XMMPIXPASA-N 394.559 4.811 0 40 GJAB O=C(NC1CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078759 OZYJDMBCJCYONX-UHFFFAOYSA-N 396.918 4.996 0 40 GJAB O=C(CN1CCCC[C@@H]1c1nc2ccccc2s1)N1CCCc2ccccc21 58160634 HWUYZPPBIAHNFO-HXUWFJFHSA-N 391.540 4.803 0 40 GJAB COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1 59409133 QVTKLRFHEQPYDP-JOCHJYFZSA-N 376.481 4.971 0 40 GJAB CCc1ccc(OCCc2nnc(NC(=S)Nc3ccccc3)s2)cc1 95116400 BJWRUMZRBNCVFR-UHFFFAOYSA-N 384.530 4.531 0 40 GJAB COc1ccccc1CC(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 95348889 GGYAVTVLIWSFKN-JOCHJYFZSA-N 375.468 4.543 0 40 GJAB CC(C)N1Cc2cccc(NC(=O)CCc3ccccc3OC(F)(F)F)c2C1 95464815 JUXRBPLQQMFLPA-UHFFFAOYSA-N 392.421 4.881 0 40 GJAB CCOC(=O)/C=C(/Nc1cc2[nH]c(-c3ccccc3)cc2cc1C)C(=O)OCC 100247030 DNUIZDBWPIVJOX-KGENOOAVSA-N 392.455 4.565 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2[C@H](C)c2nnc(-c3cccs3)o2)c1 103357952 JTPRPTRNEKVBLP-CJNGLKHVSA-N 385.489 4.713 0 40 GJAB COc1ccc(CNC(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1 208047326 HIGDPUGNTRZMBI-IBGZPJMESA-N 390.936 4.738 0 40 GJAB CC(C)c1ccc2c(N)c(C(=O)Nc3ccc(C(F)(F)F)cn3)sc2n1 215709169 WSPBADSPAXQSTJ-UHFFFAOYSA-N 380.395 4.668 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 219397274 NNXJSWYPRATNCK-UHFFFAOYSA-N 390.483 4.574 0 40 GJAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCS[C@H](c2cccs2)CC1 219465338 JJZZFVVAMQYJDK-INIZCTEOSA-N 375.544 4.520 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1Cc1ccccc1 223370242 MLSIKUKYPREDJY-QZTJIDSGSA-N 385.945 4.969 0 40 GJAB Cc1cc(C)cc(CSCC(=O)NCCOc2cccc3ccccc23)c1 223508951 HZFZTKITAPWPNC-UHFFFAOYSA-N 379.525 4.885 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)n1 223644979 USWYVHCBZUGZTG-UHFFFAOYSA-N 399.494 4.510 0 40 GJAB CC(C)C[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 225495661 OURWZOBVBOSBRI-FQEVSTJZSA-N 381.545 4.887 0 40 GJAB COc1cc(C)c(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1C(C)C 225670080 KLDOOGYABHTOBP-UHFFFAOYSA-N 393.487 4.758 0 40 GJAB Cc1cc(C)cc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 225803276 JAQCFZDQYKGCOP-UHFFFAOYSA-N 389.377 4.944 0 40 GJAB Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)s1 257209148 BPEWQGQFVYNGDF-LJQANCHMSA-N 395.528 4.635 0 40 GJAB CCOc1cc(N2CCCC2)ccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3O 257252636 JVNBWAXNFOYBFM-DSQRQMGKSA-N 385.548 4.560 0 40 GJAB CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)[nH]n1 257316692 VGORGHKNHUDRGN-LJQANCHMSA-N 392.503 4.653 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260812355 ASDCRBYWEXGYHB-AUSIDOKSSA-N 390.568 4.864 0 40 GJAB CCOc1ccc(-c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)nn2)cc1 408527743 HHMFPBLCANRSSO-UHFFFAOYSA-N 378.472 4.664 0 40 GJAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2cccc3ccccc23)CC1=O 408647828 XPKIZDRGCBCQMB-INIZCTEOSA-N 378.859 4.793 0 40 GJAB CCc1ccc([C@@H]2CCCN(C(=O)C3CCC(OC[C@@H]4CCCO4)CC3)C2)cc1 552123812 LFMDOBKIPGWEOF-KTKPDYKZSA-N 399.575 4.709 0 40 GJAB COc1ccc(C[C@@H](OC)[C@@H](O)c2ccccc2)c(OCc2ccccc2)c1 622449 MAJBYSWTUGYQHM-RPWUZVMVSA-N 378.468 4.565 0 40 GJAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1cccc(C(=O)OC)c1 955146 NSEIHDAAASUSQH-UHFFFAOYSA-N 378.428 4.504 0 40 GJAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccc(Cl)cc1 970950 UGGUDDSDWCJMAS-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB Brc1cccc(CSc2nnnn2-c2cccc3ccccc23)c1 1099818 MJPFXULVWLTHOS-UHFFFAOYSA-N 397.301 4.870 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(F)cc3)C3CCCC3)cc2c1 1359176 HEPIFXKUYYXRNT-UHFFFAOYSA-N 378.447 4.561 0 40 GJAB C[C@@H]1C(=O)N(Cc2ccccc2Cl)c2ccccc2N1C(=O)c1ccccc1 1381842 JGZTWWLMJLZSEZ-MRXNPFEDSA-N 390.870 4.922 0 40 GJAB Oc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 2249394 YSYHNLVRRRLPEZ-UHFFFAOYSA-N 382.467 4.922 0 40 GJAB O[C@H]1CSc2n(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)[n+]2C1 3227591 DESJAFRCLBNBQQ-OAQYLSRUSA-N 385.512 4.565 0 40 GJAB Cc1nn2c(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)nnc2c2ccccc12 3655646 IEKGZOMHOMAWPC-UHFFFAOYSA-N 397.413 4.644 0 40 GJAB CC(C)Cn1c(SCC(=O)Nc2cc(F)ccc2F)nc2ccccc21 4254649 JEJWBMUFOLLNES-UHFFFAOYSA-N 375.444 4.701 0 40 GJAB C[C@@H]1CCCN(C(=O)CSc2nc(Cc3ccccc3)nc3ccccc23)C1 4936346 AJRVJBQHIZFELW-QGZVFWFLSA-N 391.540 4.571 0 40 GJAB COc1ccc(CCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 6235239 YSPFJHMHQROMHD-UHFFFAOYSA-N 380.469 4.593 0 40 GJAB CCc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)cc1 6356241 RAELVEBAXXDMDP-UHFFFAOYSA-N 392.484 4.522 0 40 GJAB c1ccc(Cn2c(SCc3nnc(-c4ccccc4)o3)nnc2C2CC2)cc1 6531928 OZRUTEJOJWLPGW-UHFFFAOYSA-N 389.484 4.546 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)N[C@H](c1ccccc1)c1cccs1 7221835 HVZXIZHEQSKSIZ-LJQANCHMSA-N 379.510 4.622 0 40 GJAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H]1c1cccs1 7310033 JFGAUSYTAVCJHW-GFCCVEGCSA-N 395.855 4.946 0 40 GJAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1C1CC1 7617574 MAOCCWJIXIGGFH-AWEZNQCLSA-N 378.501 4.708 0 40 GJAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 8277350 UBBHIVCQXDJHQZ-NVNXTCNLSA-N 379.268 4.899 0 40 GJAB COc1ccc2cc(Br)ccc2c1CC(=O)N1CCCCCC1 8494235 XRQJQCDBOSIMSD-UHFFFAOYSA-N 376.294 4.556 0 40 GJAB CCCOC(=O)c1ccc2nc(C)c(CN(CC)Cc3ccccc3)c(O)c2c1 8717193 GKVYFBNPPBYQQE-UHFFFAOYSA-N 392.499 4.838 0 40 GJAB O=C(c1csc(-c2ccsc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9390337 REHWNKLEUUELPC-INIZCTEOSA-N 398.509 4.620 0 40 GJAB CC(C)[C@@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 9791631 FSDRMXCGHBXAAG-HXUWFJFHSA-N 388.895 4.650 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 10139656 GRPSFFJWWSUUIL-UHFFFAOYSA-N 381.907 4.948 0 40 GJAB Cc1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c(F)c1 10236854 MTHHMNXFIBQJQQ-UHFFFAOYSA-N 383.423 4.831 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc(C)c3)ccc2C)cc1 10313868 NQBCJIIVQCBUBM-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 10336258 UZZISRNSQHAKEH-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(CCc1nc2ccccc2[nH]1)NCc1ccc(Oc2ccc(F)cc2)cc1 12506061 SSPVZWOKMVJCIC-UHFFFAOYSA-N 389.430 4.743 0 40 GJAB CCN1CCN(c2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2C)CC1 12522288 XEWAOLLAFBVBOZ-UHFFFAOYSA-N 396.922 4.524 0 40 GJAB Cc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)c(C)c1 14084075 UNAJPONHKIEHHR-UHFFFAOYSA-N 389.377 4.944 0 40 GJAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 14205881 HFGSSQAXHGFMKQ-UHFFFAOYSA-N 391.402 4.907 0 40 GJAB O=C(CCc1csc2nc(-c3ccccc3)cn12)N1CCc2ccccc2C1 16848752 XUEWUXLJENPYPZ-UHFFFAOYSA-N 387.508 4.580 0 40 GJAB CC(C)[C@@H](NC(=O)c1cc(-c2cccnc2)c2cnccc2n1)c1cccs1 19445923 YOOIHHXVRMHEAS-OAQYLSRUSA-N 388.496 4.880 0 40 GJAB CCCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)c(OCC(=O)O)c1 20158185 NSLKEUGKQIEFOV-UHFFFAOYSA-N 398.484 4.946 0 40 GJAB CC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 20898192 PAOLZJOXIPFEKN-UHFFFAOYSA-N 383.835 4.554 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 22527041 PTYCQVNDHJLTCG-HXUWFJFHSA-N 388.964 4.555 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3ccc(F)cc3nc2C)cc1OC 25617650 DIIXXDZJHDYAFZ-FQEVSTJZSA-N 394.446 4.677 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)cc3)on2)sc2c1CCC2 27664270 PQIYHFBABBUXSD-UHFFFAOYSA-N 396.468 4.629 0 40 GJAB CC(C)c1noc([C@@H](C)Sc2nccn2-c2ccc(Br)cc2)n1 27811010 YXUVFGUCYIUTSI-LLVKDONJSA-N 393.310 4.995 0 40 GJAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3Cl)c12 27984969 BGZVTVPPRBOCPA-UHFFFAOYSA-N 375.259 4.713 0 40 GJAB Cc1cc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1C(C)C 29796727 YYWCDQXKFBDWDD-NRFANRHFSA-N 395.499 4.632 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Cl 38752368 RXJXSQAYGFGRPP-UHFFFAOYSA-N 396.270 4.804 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1csc(-c2ccc(F)cc2)n1 39983211 FTTNGTXYKJHPIO-FQEVSTJZSA-N 389.455 4.864 0 40 GJAB O=C(Nc1ccccn1)c1ccccc1OCc1cccc(Br)c1 40043313 FAXWOUGNRQPZOY-UHFFFAOYSA-N 383.245 4.675 0 40 GJAB COc1ccc(Nc2ccccc2C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 48332634 WBNJYBDHHZGSEL-CQSZACIVSA-N 378.394 4.853 0 40 GJAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)cc1 57486711 UCFFKHUVINIKPW-UHFFFAOYSA-N 396.809 4.636 0 40 GJAB Cc1cc2oc(=O)cc(CN(C)Cc3ccc(OC(F)F)cc3)c2cc1Cl 58164917 YDZNZJRCJLCTBG-UHFFFAOYSA-N 393.817 4.988 0 40 GJAB Cc1cccc2c1C(=O)N[C@H](c1csc(-c3ccc(C(F)(F)F)cc3)n1)N2 60523421 JICLLNHDOMEGIT-MRXNPFEDSA-N 389.402 4.991 0 40 GJAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1CN1CCSCC1 61285545 CLBKKOQQOYRMIA-UHFFFAOYSA-N 395.355 4.723 0 40 GJAB O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cc(-c2cccc(Cl)c2)on1 65514829 GYPKTIIOIWMITG-UHFFFAOYSA-N 382.782 4.572 0 40 GJAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)Cc4ccccc4)c(C)c3s2)n1 72228565 CAMZFBMTSVMQCZ-UHFFFAOYSA-N 390.512 4.897 0 40 GJAB Cc1nc2cc(C(=O)NNc3cccc(Cl)c3)ccc2n1-c1ccccc1 84287081 WIAGDXKDRJXBEW-UHFFFAOYSA-N 376.847 4.744 0 40 GJAB O=C(CC(=O)c1cccc(Br)c1)c1cccc(Br)c1 100801778 WJJFWXGQAHZWCR-UHFFFAOYSA-N 382.051 4.667 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\Nc3cccc(C)n3)c3ccccc3C2=O)c(C)c1 102618382 HPMAEJJNXBJVNO-ZHZULCJRSA-N 383.451 4.647 0 40 GJAB Cc1cc(OCC(=O)NCCSc2ccc(Cl)cc2)cc(C)c1Cl 218917683 FKUZZUWFAJIQFU-UHFFFAOYSA-N 384.328 4.898 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)c1 222881916 QKSULXBBEIBLEF-KRWDZBQOSA-N 391.467 4.774 0 40 GJAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1C 223450026 KGJTVKXFCSLCEL-MRXNPFEDSA-N 390.321 4.939 0 40 GJAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1cc(C)c(C)cc1C)CCCC2 223500858 NKEIQTILLZQYJA-QGZVFWFLSA-N 387.545 4.539 0 40 GJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225693522 YFWBUUGCLCQBOF-XXBNENTESA-N 390.568 4.721 0 40 GJAB CCc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 409382332 RVNNBLJUZYNNHJ-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1nc2cc(C(=O)O)ccc2n1CC 575065330 GFTWOWBYLPHDAB-TZIWHRDSSA-N 391.515 4.913 0 40 GJAB O=C(O[C@H](C(=O)NC1CCCCC1)c1cccc2cccnc12)c1cccs1 1345181 JELVFUZJFHUJJE-FQEVSTJZSA-N 394.496 4.643 0 40 GJAB Cc1[nH]c2c(Cl)cccc2c1CCN1C(=O)OC2(CCCCC2)[C@]1(C)O 1444469 KBUMGCOIRAVGQK-IBGZPJMESA-N 376.884 4.536 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)c1 1510407 FGKFEHDUQPHFAW-UHFFFAOYSA-N 387.439 4.603 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2cc3c(C(F)(F)F)cc(C)nc3s2)c1 2208341 MEUCACDRJTXPPG-UHFFFAOYSA-N 393.390 4.834 0 40 GJAB CCC[C@H]1Cc2c(sc3nc(SCc4ccc(F)cc4)nc(N)c23)CO1 2240517 NNUPDFKXBAAAEI-ZDUSSCGKSA-N 389.521 4.946 0 40 GJAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(C)c(Cl)c2)c1 2723147 GSPQUVPONUUKDZ-UHFFFAOYSA-N 387.892 4.574 0 40 GJAB O=C1CS[C@H](c2ccc(Cl)cc2)C(=O)N1c1ccc(C(F)(F)F)cc1 3125681 LMNGNKMXACOYAC-OAHLLOKOSA-N 385.794 4.707 0 40 GJAB C[C@@H]1CCc2sc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)(C)C)cc2C1 3382265 PRWASGYIAGQYHJ-MRXNPFEDSA-N 399.556 4.857 0 40 GJAB O=C1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1 3503716 HSDNVOWYDKASHN-UHFFFAOYSA-N 386.480 4.590 0 40 GJAB COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CN2CCCCCC2)cc1 3893715 JMGMABJPRZVFIN-NRFANRHFSA-N 378.516 4.554 0 40 GJAB COc1cc(-c2nc3sccn3c2Nc2ccc(OC)c(OC)c2)ccc1O 4734360 PRNHIEYFUZOCKN-UHFFFAOYSA-N 397.456 4.538 0 40 GJAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2sccc2n1Cc1ccccc1 4970918 UAFZGJVEVOXDCC-UHFFFAOYSA-N 390.464 4.775 0 40 GJAB aggregator COc1ccccc1-c1nnc(NC(=O)CSc2ccc(Cl)cc2)s1 5499514 ODKBGOBPMQJVRP-UHFFFAOYSA-N 391.905 4.598 0 40 GJAB COC(=O)c1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1 5576544 YFSJAZVHIYDTDO-UHFFFAOYSA-N 388.217 4.543 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nccn2-c2ccc(C)cc2C)c1C 6652967 GACAIHOHFRSLMR-UHFFFAOYSA-N 381.501 4.612 0 40 GJAB COc1ccc(CCNc2ncnc3c2sc2nc(C)cc(C)c23)cc1OC 6759021 ZPNNNBFMRDQCQB-UHFFFAOYSA-N 394.500 4.528 0 40 GJAB O=C(OCc1ccccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 7537631 OBIABPUGGPXKEY-UHFFFAOYSA-N 392.282 4.589 0 40 GJAB COc1ccc(CN(C)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1F 8308634 MYKAEOVANZJLNX-QFIPXVFZSA-N 396.437 4.785 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 8500047 XJKZKQLLATVKNG-HXUWFJFHSA-N 398.478 4.638 0 40 GJAB Clc1ccc(-n2c(CN3CCCCC3)nnc2SCc2ccccn2)cc1 8745714 CZJYCSCOMIQQIU-UHFFFAOYSA-N 399.951 4.594 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 9063359 GWWPOTGSGAMHTF-SFHVURJKSA-N 384.951 4.690 0 40 GJAB O=C(COc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 9135147 YFRMXGMLRIOFLR-UHFFFAOYSA-N 394.814 4.716 0 40 GJAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccco4)=NN23)cc1 12196947 WKYZGWHPELJVNR-GCJKJVERSA-N 376.412 4.539 0 40 GJAB CCN(CC)c1ccc(-c2nnc(SCc3noc(-c4ccco4)n3)o2)cc1 12522332 NQIKPSJWPIEFFP-UHFFFAOYSA-N 397.460 4.518 0 40 GJAB COc1ccc(-c2cc(COC(=O)c3c(F)cccc3Cl)no2)cc1OC 12726699 OXNAAKOSOVCOMA-UHFFFAOYSA-N 391.782 4.508 0 40 GJAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1 14016949 WKIAQKNJXFYVSA-ZJUUUORDSA-N 387.336 4.593 0 40 GJAB O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccc(SC(F)F)cc1 14805770 MRERXICNXDJLDF-UHFFFAOYSA-N 398.504 4.583 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1C 15832069 FMVMFLVQIPJANB-KRWDZBQOSA-N 378.472 4.618 0 40 GJAB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cc2ccncc2)cc1 15940713 SCCWZSVZMWZSPS-XBXARRHUSA-N 393.830 4.886 0 40 GJAB Cc1cc(C)cc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 16899416 LYDXPUAHZCHVFJ-INIZCTEOSA-N 394.418 4.764 0 40 GJAB Cc1nc(Cc2nnc(SCc3csc(-c4ccsc4)n3)o2)cs1 19357420 QGBLPCRMVFNQRA-UHFFFAOYSA-N 392.556 4.903 0 40 GJAB COc1ccc(-c2n[nH]c(=S)n2-c2ccc(OC(F)(F)F)cc2)cc1OC 20744785 CVURJRFLDMZRSM-UHFFFAOYSA-N 397.378 4.513 0 40 GJAB COc1cccc(-c2nc(C(=O)N[C@@H](c3ccccc3)C3CC3)cs2)c1OC 24865318 IHMRHMIOOMWSDQ-IBGZPJMESA-N 394.496 4.708 0 40 GJAB CCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nnc1-c1ccncc1 28186829 NXWYXIKVKXYDPE-UHFFFAOYSA-N 397.891 4.961 0 40 GJAB O=C(NCC1(c2ccccc2)CC1)c1cc(-c2ccncc2)nc2ccccc12 28943885 JTKIOLFXEUAQFE-UHFFFAOYSA-N 379.463 4.758 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(Cl)c1 30756218 VDWLZAHGJDWBCC-LLVKDONJSA-N 382.243 4.576 0 40 GJAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 31818617 KIFSOSJZIWXMRP-UHFFFAOYSA-N 389.499 4.599 0 40 GJAB COc1ccc([C@@H]2CCCN2CCC(=O)Nc2ccccc2Cl)c(OC)c1 32869475 GSBGLZVHBQLCMT-IBGZPJMESA-N 388.895 4.523 0 40 GJAB C[C@H](OC[C@H](O)CN1C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1 45821578 LTBPAROLKUYQDA-KBXCAEBGSA-N 381.859 4.592 0 40 GJAB Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 65541418 AASCNKIAPSVFIF-GOSISDBHSA-N 398.484 4.610 0 40 GJAB Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc(Sc2ccccc2Cl)cc1 65569413 HQIVXHCVSVALLT-UHFFFAOYSA-N 399.903 4.663 0 40 GJAB CC(C)Oc1ncc(C(=O)Nc2cccnc2Oc2ccccc2)cc1Cl 69385709 QYYOAJXUJDKCAD-UHFFFAOYSA-N 383.835 4.962 0 40 GJAB O=C(/C=C/c1cccs1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77197900 LHZIKJQAOZFONF-ATWMFIQVSA-N 399.516 4.825 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)CCn3c(C)c(C)sc3=O)ccc21 79355894 DTKRKVZSZZTZJI-UHFFFAOYSA-N 393.512 4.683 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3csc(-c4cnccn4)n3)sc2C)s1 95947727 MWVBBYQHFLPLGM-UHFFFAOYSA-N 399.526 4.654 0 40 GJAB CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 96052626 UYMUWNQMGAJGGF-FQEVSTJZSA-N 394.534 4.762 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc2ccccc12 218914880 SVUIYJKMPHSYFK-FQEVSTJZSA-N 375.468 4.946 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 222899473 OGVDPADKHBAMGE-NHCUHLMSSA-N 397.515 4.834 0 40 GJAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224292351 RLCPPXMAWPIKGF-OAHLLOKOSA-N 375.896 4.600 0 40 GJAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 225052181 YMLLVQCZAFXZNH-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc3ccccc3c2)c1C 225065725 PHROMNZTJYICJP-UHFFFAOYSA-N 397.496 4.540 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c(C)c1 225578161 NAWJUZLKFQDKDN-SFHVURJKSA-N 398.528 4.761 0 40 GJAB FC(F)(F)c1ccccc1Cc1cccc([C@H]2CN(c3cccnc3)CCO2)n1 257291573 QHOYHFCXAAVUIR-OAQYLSRUSA-N 399.416 4.664 0 40 GJAB Cc1ccccc1CN1CCO[C@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1 257338961 YZQBCBZTVYXWAJ-FQEVSTJZSA-N 394.544 4.780 0 40 GJAB Cc1ccc(C)c(-c2ccc(OC(=O)c3cccc(Br)c3)nn2)c1 408531560 UVZXLFLHVKOSAR-UHFFFAOYSA-N 383.245 4.742 0 40 GJAB CCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 408709380 RUVSUEXUYKJMCQ-UHFFFAOYSA-N 382.504 4.634 0 40 GJAB C[C@@H](Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(C(=O)N(C)C)cc1 574978267 KEEXJHXJQASQJL-QGZVFWFLSA-N 384.483 4.876 0 40 GJAB CNc1ccc(C(=O)O)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 616581382 YIRHQVZRKURGRG-UHFFFAOYSA-N 388.423 4.788 0 40 GJAB COc1cccc(C2(NC(=O)Nc3cn(C)nc3C3CCCCC3)CCC2)c1 667163502 XXLAIQSBVXDXRT-UHFFFAOYSA-N 382.508 4.677 0 40 GJAB C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cccc(Br)c1Cl 1644640625 LVODESNYBNKDQX-OAHLLOKOSA-N 393.756 4.809 0 40 GJAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)NC1CCCCC1 801392 VRHPZNRUBWXISL-UHFFFAOYSA-N 379.529 4.626 0 40 GJAB COc1ccc(-c2cc3nc(C)c(C)c(N4C[C@H](C)C[C@@H](C)C4)n3n2)cc1OC 1340851 CQYDSKABIZLRRK-HUUCEWRRSA-N 394.519 4.513 0 40 GJAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)c3cccs3)c(=O)[nH]c12 1346752 KCJSGKVHCMAGCT-UHFFFAOYSA-N 394.521 4.802 0 40 GJAB Cc1cc2c(c(SCc3ccc(F)cc3)n1)C(=O)N(C1CCCCC1)C2=O 1405570 ODYJYRLBHKUHEY-UHFFFAOYSA-N 384.476 4.750 0 40 GJAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(-c3ccccc3Cl)nnc21 2407844 ROVKTUOOYLRYGY-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB Cc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 2411096 QUSWWHSNBYIYQH-INIZCTEOSA-N 388.341 4.738 0 40 GJAB COc1cc(NC(=O)C2CCCCC2)c(Br)cc1Br 2582357 RUNRKBJIXUDFCX-UHFFFAOYSA-N 391.103 4.739 0 40 GJAB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C=C(C(C)(C)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 3849809 NFVZMTPMHRVCTP-CIPHDHMHSA-N 382.544 4.961 0 40 GJAB biogenic O=C(NCCc1nc2ccccc2n1CCc1ccccc1)C1CCCCC1 4384988 WXJXTCNFNZBQAY-UHFFFAOYSA-N 375.516 4.518 0 40 GJAB Cc1cccc(-c2cc3nc4c(c(NCC(C)(C)CN(C)C)n3n2)CCCC4)c1 4489206 UCLFFEZZTVNBFT-UHFFFAOYSA-N 391.563 4.583 0 40 GJAB Oc1ccccc1-c1nc2ccc(Cl)cn2c1NCc1ccc2c(c1)OCO2 4848483 VKBXEFSLRLQPDI-UHFFFAOYSA-N 393.830 4.701 0 40 GJAB COc1ccccc1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 4885456 URMFDJYIZHJHEX-UHFFFAOYSA-N 385.895 4.574 0 40 GJAB CCOc1ccc(-c2cn3c(CC(=O)N(C)C4CCCCC4)csc3n2)cc1 5146923 HUTXUFIWSKTENS-UHFFFAOYSA-N 397.544 4.795 0 40 GJAB CN(C)C(=O)[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 5505050 WFOGBLQEYDKTPW-HSZRJFAPSA-N 387.435 4.501 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nnc(NCCC[C@H](C)CC)s1 5505558 UKAYVNTYGPXJLH-CABCVRRESA-N 384.615 4.660 0 40 GJAB Cc1ccc(NC2=NN=C(c3cc(C)n(C[C@@H]4CCCO4)c3C)CS2)cc1 5859348 JJFYPOYPWYUNFN-SFHVURJKSA-N 382.533 4.511 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)CSc1nncn1-c1ccccc1OC 6082126 MKOPKTTXCYJJDX-HNNXBMFYSA-N 396.516 4.520 0 40 GJAB Cc1ccc(-c2nc(C(=O)NC[C@@H]3CCCO3)cc3c2[nH]c2ccccc23)cc1 6088007 WYUBBSNEBJLQEC-KRWDZBQOSA-N 385.467 4.600 0 40 GJAB biogenic CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1nccs1 6358757 XWKYWYAAHWARBG-GFCCVEGCSA-N 377.819 4.891 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2cc(F)ccc2C)cc1OC 6388854 XFWWJGGVHWXEME-UHFFFAOYSA-N 396.256 4.946 0 40 GJAB Cc1ccccc1Nc1nc(NCc2ccccc2Cl)nc2c1cnn2C 6901076 SSLVDCOEHPAHKZ-UHFFFAOYSA-N 378.867 4.681 0 40 GJAB COc1ccc(CCNCc2cccc(OCc3ccc(F)cc3)c2)cc1OC 8493643 UUHXSRBOKKZUBA-UHFFFAOYSA-N 395.474 4.754 0 40 GJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(N2CCCCC2)cc1 9548456 COBVZCCYZPNYDG-UHFFFAOYSA-N 393.487 4.504 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCc2sccc2C1 10923898 NGBFVMFRZKTPBP-UHFFFAOYSA-N 376.840 4.703 0 40 GJAB O=C([C@@H](c1ccccc1)C1CCCC1)N1CCC(n2cnc3cccnc32)CC1 12114694 PTWMDUAZKJEPNK-QFIPXVFZSA-N 388.515 4.569 0 40 GJAB CC[C@@H](CC(=O)N1CCC(O)(c2ccc(C)cc2)CC1)c1c[nH]c2ccccc12 12205503 GKYLUJQNBXXWHY-IBGZPJMESA-N 390.527 4.870 0 40 GJAB COc1cc(SC)ccc1C(=O)OCC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 12599884 TZIPYEXNSAFSEK-GMBSWORKSA-N 394.533 4.578 0 40 GJAB COc1cccc(CN(C)C(=O)c2ccc(COc3ccccc3)cc2)c1OC 12801298 APHPGZAQSCJQEG-UHFFFAOYSA-N 391.467 4.555 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 13208400 ATSWPAUOTPRBGS-UHFFFAOYSA-N 382.272 4.609 0 40 GJAB CCCCC(=O)Nc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 14404934 NZSOZYTWZBNFIH-UHFFFAOYSA-N 390.487 4.870 0 40 GJAB Cc1ccc(-c2csc3ncc(C(=O)Nc4cccc(C)c4C)c(=O)n23)cc1 20768031 DEHHKHPCALSPOG-UHFFFAOYSA-N 389.480 4.601 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nonc2-c2ccc(C)c(C)c2)c1 20899452 GWTYEPXIELFTSB-UHFFFAOYSA-N 379.460 4.803 0 40 GJAB Cc1cnc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)s1 23177061 DUFPEPNONWNGRP-UHFFFAOYSA-N 386.786 4.562 0 40 GJAB COc1cccc(O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 30754180 CNFQHLLFYIZXOP-IBGZPJMESA-N 375.468 4.692 0 40 GJAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1sc2ccccc2c1Cl 31420100 YDAZBXIGIQGIOA-UHFFFAOYSA-N 393.295 4.919 0 40 GJAB COc1cccc(CC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 32809146 WDVOLDIHISJMJP-UHFFFAOYSA-N 394.858 4.782 0 40 GJAB O=C(Nc1ccccc1)c1sc(=S)n2c1nc(O)c1ccc(Cl)cc12 33251360 ASXXCBMIFKWHLE-UHFFFAOYSA-N 387.873 4.890 0 40 GJAB O=C(Nc1nnc(SCc2cccc(Cl)c2)s1)c1cccc(F)c1 35563770 PTANPVQDYUPQSA-UHFFFAOYSA-N 379.869 4.875 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1C(=O)O 35648275 YETISZMTROEPDS-OVCLIPMQSA-N 389.885 4.752 0 40 GJAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCc2sccc2[C@@H]1c1cccs1 36007200 MNVZAXASRIFKJS-KSFYIVLOSA-N 396.581 4.977 0 40 GJAB CCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)c(C)c3)nc21 36616506 KZWZTPMWYASIDA-UHFFFAOYSA-N 391.393 4.605 0 40 GJAB Cc1ccc(NC(=O)CSCc2cc(=O)c3cccc(C)c3[nH]2)cc1Cl 41108662 ZCVJNBZNBDKPGM-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB O=C(c1ccc(Br)cc1)N(Cc1ccsc1)CC(F)(F)F 44447581 VZAGKPRAHRMQOE-UHFFFAOYSA-N 378.213 4.715 0 40 GJAB Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)NCc2ccccc2)[nH]n1 48987298 YAYSNDAJQBBHAZ-UHFFFAOYSA-N 392.459 4.578 0 40 GJAB Cc1cc(SCC(=O)Nc2cccc(C)c2C)nc(-c2cccc(F)c2)n1 49007048 DVVLCGQMOJZXIG-UHFFFAOYSA-N 381.476 4.939 0 40 GJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(c2ccccc2)CC1 57406073 UYAAQRNRRXNPCJ-HXUWFJFHSA-N 385.511 4.503 0 40 GJAB COc1ccccc1OC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 58402708 YHCKACAPPFXUQH-UHFFFAOYSA-N 386.407 4.940 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2SC(C)(C)C)cc1 72217430 KGMWRFRWCYXVKW-GOSISDBHSA-N 390.574 4.806 0 40 GJAB COc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)nc2c(C)cc(F)cc12 72328777 HUPSPIGWWMQYMD-UHFFFAOYSA-N 392.474 4.786 0 40 GJAB CNc1ncccc1CN1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72359132 AQHCOTZDWIEHLV-QGZVFWFLSA-N 393.922 4.613 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(N2CCCCC2)ncn1 77200522 IVJHWMLYCNHMFQ-UHFFFAOYSA-N 386.499 4.628 0 40 GJAB COCc1cc(C)nc2sc(-c3nnc(-c4ccc(Cl)cc4)o3)c(N)c12 78547560 JBYYFDGZCGLKDU-UHFFFAOYSA-N 386.864 4.704 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccccc1Br)N1CCC[C@@H]1c1cccs1 84501950 WXENGYHEJUWSHK-IIAWOOMASA-N 376.319 4.978 0 40 GJAB COc1ccccc1Cc1nn2c(-c3oc4ccccc4c3C)nnc2s1 96194259 UAQXCTIOGCCEHZ-UHFFFAOYSA-N 376.441 4.507 0 40 GJAB CN(Cc1ccc(F)c2cccnc12)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 106528107 CFYURJGRNNQFBF-QUCCMNQESA-N 391.273 4.771 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccccc1C 222689582 VSIHRQQKNUNGGV-XMSQKQJNSA-N 381.516 4.615 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cccc2ccccc12 223551691 ZTZQLIVSCBFMLD-FQEVSTJZSA-N 383.875 4.846 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2nnc(SCC(C)C)s2)cc1 223575554 MKVDDMJQKDJHKG-HNNXBMFYSA-N 379.551 4.645 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc2ccccc2c1 223640129 DXAXTQOUXXZMNQ-HSZRJFAPSA-N 377.484 4.809 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 223654720 DQACQSSTOZQPAQ-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB CSc1ccc(S(=O)(=O)N(C)c2ccc(OCc3ccccc3)cc2)cc1 224986049 YRLQZMJUNRKGQG-UHFFFAOYSA-N 399.537 4.813 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225163607 MSMHOLKZIKACQN-GOSISDBHSA-N 384.501 4.748 0 40 GJAB O=C(c1cccnc1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257236733 HDMXGUIYZQSPSP-IBGZPJMESA-N 381.863 4.681 0 40 GJAB Cc1cc(C)c(S(=O)(=O)N[C@@H](c2ccsc2)c2cccs2)cc1C 390826231 FVYUALWYSCTBOP-SFHVURJKSA-N 377.556 4.803 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390829485 DZXMKMRZYMKQIT-HOTGVXAUSA-N 391.393 4.707 0 40 GJAB Cc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1C 408714815 XDFDXEIZQINFJX-UHFFFAOYSA-N 377.488 4.923 0 40 GJAB O=C(NCc1ccncc1)[C@]12C[C@H]3C[C@@H](C1)C[C@](c1ccc(Cl)cc1)(C3)C2 584566836 CAOTVXGYTWCKQE-LCSSSXQXSA-N 380.919 4.889 0 40 GJAB CC(C)Oc1ccc(NC(=O)N2CCC(c3ccon3)CC2)c(C(F)(F)F)c1 585100153 CDEPLVRQXVIVQB-UHFFFAOYSA-N 397.397 4.892 0 40 GJAB CCc1cccc(NC(=O)CNC(=O)c2sc3cccc(F)c3c2Cl)c1 1527160718 OUJYWKPYLXYPBU-UHFFFAOYSA-N 390.867 4.625 0 40 GJAB CCCc1nc(C)c(C(=O)N2CC(C)(C)Oc3ccc(C(F)(F)F)cc32)o1 1538258987 MIWYXGNWPBWVOQ-UHFFFAOYSA-N 382.382 4.772 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCc2cccs2)N1c1ccc(F)cc1 1615154036 DFPVQVXOJBLDDA-PMACEKPBSA-N 386.536 4.868 0 40 GJAB CCOc1ccc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3cc2c1 917074 BCDZXPPPGATLBW-UHFFFAOYSA-N 381.432 4.822 0 40 GJAB COC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 1397655 LYRFTFDZWBXRTP-HNNXBMFYSA-N 381.653 4.632 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)OC1CCCCCC1 1703553 JDVARSLVAOVTSY-UHFFFAOYSA-N 394.537 4.569 0 40 GJAB COc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccccc2)cc1 2453374 PUCKZCIZBQGNGC-IBGZPJMESA-N 381.501 4.604 0 40 GJAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1F 3292349 RGXOSKDURGVISJ-UHFFFAOYSA-N 375.355 4.674 0 40 GJAB CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(NC(C)=O)cc1 4682101 NCEHWBVOIREROF-UHFFFAOYSA-N 386.908 4.869 0 40 GJAB COc1ccc(CNCC[C@@H]2[C@@H](C)CN(C)[C@H](C)[C@@H]2Cc2ccccc2)cc1 4696768 YGTJKNIFCYOPGW-QDPPLXMDSA-N 380.576 4.620 0 40 GJAB CNC(=O)c1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c1CCC2 5055733 ZKGGAWSQHMQDIQ-UHFFFAOYSA-N 392.480 4.641 0 40 GJAB C[C@@H](OC(=O)c1c(F)cccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 5872449 OYAGMUFFCVVZLN-SECBINFHSA-N 389.732 4.682 0 40 GJAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 5977908 VJKFWJLBLZWONS-UHFFFAOYSA-N 383.517 4.675 0 40 GJAB CC(C)/N=C1\S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1C(C)C 6324984 YOGCAEIXRJKZFH-QFAYSNGYSA-N 399.472 4.944 0 40 GJAB Cc1cc2sc(NC(=S)NC(=O)c3ccccc3F)nc2cc1Cl 6826414 MYHVFQMEGNOJJG-UHFFFAOYSA-N 379.869 4.524 0 40 GJAB CCCNCc1cc(Br)c(OCc2ccccc2)c(OCC)c1 7262309 RJKYRTDAAFAWNX-UHFFFAOYSA-N 378.310 4.926 0 40 GJAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1sc2ccccc2c1Cl 7652855 DZHFCNLTMPTZGL-UHFFFAOYSA-N 386.812 4.724 0 40 GJAB O=c1cc(CSc2ccc3ccccc3c2)nc2ccc(Br)cn12 7719425 DDNUQHGQQUDOJJ-UHFFFAOYSA-N 397.297 4.903 0 40 GJAB COc1ccc([C@H]2CCCN2[C@H](C)c2nnc(-c3cccs3)o2)c(OC)c1 7741833 QCMISQKIJVQSIF-CZUORRHYSA-N 385.489 4.713 0 40 GJAB O=C1COc2ccc(-c3csc(-c4cccc(Br)c4)n3)cc2N1 7846231 DSYTZPLPITZFBU-UHFFFAOYSA-N 387.258 4.571 0 40 GJAB Cc1nnc(COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)o1 8194883 VGSBHCHMDOSQML-UHFFFAOYSA-N 385.832 4.665 0 40 GJAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc4c3O[C@@H](C)[C@@H]4C)o2)cc1 8484560 NEGOAZFXMXXYHU-IHRRRGAJSA-N 394.427 4.548 0 40 GJAB Cc1cccc(-n2c(C)nnc2S[C@H](C)c2nnc(-c3cccs3)o2)c1 8725756 NLSYPHAUEZZXHB-GFCCVEGCSA-N 383.502 4.849 0 40 GJAB Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 8868302 RQGSTTHAOQQEMG-OAQYLSRUSA-N 385.419 4.748 0 40 GJAB COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 9134873 PDDGMGRHOXRSQR-UHFFFAOYSA-N 388.423 4.543 0 40 GJAB CN1C(=O)c2cc(NC(=O)c3c(F)cccc3F)ccc2Oc2ccccc21 9827784 GOXWYILKAKRINO-UHFFFAOYSA-N 380.350 4.599 0 40 GJAB CC(=O)Nc1ccccc1OCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 10801308 UECYOVVQYHFRNV-QGZVFWFLSA-N 388.467 4.568 0 40 GJAB C[C@H]1CCc2sc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cc2C1 11214547 PNRQKOQBVKQAIJ-ZDUSSCGKSA-N 380.469 4.971 0 40 GJAB COc1ccc2c(c1)C=C(CN[C@H](Cc1ccsc1)c1ccc(C)cn1)CO2 12223200 DRVOMXXBRYGGPX-JOCHJYFZSA-N 392.524 4.810 0 40 GJAB c1csc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2nccs2)c1 12251464 QYCAEZUBPVVKDM-UHFFFAOYSA-N 394.481 4.669 0 40 GJAB COc1ccc2cc([C@@H](C)C(=O)NCCCN(C)c3ccccc3)ccc2c1 12526644 UDEFIWJJDUJPBN-GOSISDBHSA-N 376.500 4.595 0 40 GJAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(c2ccc(O)cc2)CC1 12769313 MLCFMDRMVOGFGS-UHFFFAOYSA-N 375.468 4.991 0 40 GJAB Cc1ccc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)C[C@@H]2C)cc1 17077176 IMGBZANQLKPDAY-HNNXBMFYSA-N 377.410 4.756 0 40 GJAB COc1ccc(-c2ccc(OC)cc2C(=O)Nc2cccc(-n3cccn3)c2)cc1 19659865 MGQDBUMBAYISLT-UHFFFAOYSA-N 399.450 4.809 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1 20110466 YLEGDCTXJJCRBQ-GFCCVEGCSA-N 382.685 4.667 0 40 GJAB COc1ccc(-c2csc3nc(C)nc(NCc4ccccn4)c23)cc1OC 22341504 KMRQHJQCBSWNQI-UHFFFAOYSA-N 392.484 4.691 0 40 GJAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140461 ZHSKKCHPEUADFK-GFCCVEGCSA-N 388.880 4.863 0 40 GJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccnn1Cc1ccccc1Cl 23272845 JOWPVKBQXHHMOD-ZDUSSCGKSA-N 390.270 4.644 0 40 GJAB Cc1cccc(-c2nc(CC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)c1 27851386 MJXHBFBWMMUJSV-HUUCEWRRSA-N 382.451 4.898 0 40 GJAB CSc1cccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccc(F)cc4)nn32)c1 32105797 JYUGNACDIFNGCP-QGZVFWFLSA-N 396.447 4.583 0 40 GJAB COc1ccc(CC(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 32622099 HQQYYMSEILALKY-UHFFFAOYSA-N 385.423 4.593 0 40 GJAB Cc1cc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)on1 32740711 DATKDLBHBBUWDM-MRXNPFEDSA-N 379.847 4.680 0 40 GJAB O=C(Nc1ccc(F)cc1)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36616755 ZMCHZXLOQMEDES-UHFFFAOYSA-N 390.393 4.828 0 40 GJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cc(-c2cccnc2)on1 40144066 JOIQOLPPNMMWGA-UHFFFAOYSA-N 393.830 4.922 0 40 GJAB Cc1cc([C@@H](C)NC(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)c(C)s1 48277469 POWDVQDWJIOGGT-IJEWVQPXSA-N 387.549 4.861 0 40 GJAB Cc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)c(F)c1 49007043 MCOLTAYBLKFWBF-UHFFFAOYSA-N 385.439 4.769 0 40 GJAB O=C(Nc1ccc(Br)cc1F)c1cc(-c2ccccc2Cl)[nH]n1 57412325 IHAOHXAIVXIVTK-UHFFFAOYSA-N 394.631 4.884 0 40 GJAB Cc1ccccc1NC(=O)CSC1=NC2(CCCC2)N=C1c1ccccc1 71769082 XTIATGWYUIYFSW-UHFFFAOYSA-N 377.513 4.838 0 40 GJAB Cc1cccc(NC(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccc(F)cc3)C2)c1 77200383 NNHBDYKSVSWGKZ-MOPGFXCFSA-N 385.439 4.816 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3cccc(C[S@@](C)=O)c3)sc2C)s1 95947874 XSJKCXGACVAPCX-VWLOTQADSA-N 390.555 4.619 0 40 GJAB Oc1cccc(C2=NN3[C@H](c4ccncc4)Oc4ccc(Cl)cc4[C@H]3C2)c1 102829007 PZVFKUIUSYFCLE-CTNGQTDRSA-N 377.831 4.683 0 40 GJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)[S@@](=O)Cc1ccc(C(F)(F)F)cc1 108467130 ICBDWIUAARFIPJ-JPQMIFPKSA-N 389.826 4.635 0 40 GJAB Cc1ccccc1CNC(=O)COc1ccc(C(C)C)cc1Br 218870446 XTRCJHFLJCTOBK-UHFFFAOYSA-N 376.294 4.576 0 40 GJAB O=C(Nc1ccc(Br)c(Cl)c1)C1(c2ccccc2)CCOCC1 222951067 MAFLNSQPDXSRGQ-UHFFFAOYSA-N 394.696 4.789 0 40 GJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(OC)c1)c1ccc2c(c1)CCCC2 223099279 XDAYFQMDYJOADI-XZOQPEGZSA-N 381.516 4.999 0 40 GJAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1C 223931643 JAHSLDLKLYRRFQ-QGZVFWFLSA-N 375.896 4.536 0 40 GJAB CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1 224460924 BGWPHYHODLEHKL-HSZRJFAPSA-N 377.484 4.755 0 40 GJAB COc1ccc(CN(C)C(=O)CCc2c(Cl)cccc2Cl)cc1OC 225363275 GKGZICZQYXYVRO-UHFFFAOYSA-N 382.287 4.602 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 225659606 CBUMXSIUVMIPGU-INIZCTEOSA-N 384.545 4.824 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCCCCC1 225711475 JFYWRMOOLPLKBJ-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB Cc1cccc(-c2noc(CCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)c1 225813821 FIUOOUBFVCPROR-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)c(C(=O)OCC)c2)CCC[C@H](C)C1 225853911 LXHMXDUWQVWUQO-AOMKIAJQSA-N 391.508 4.576 0 40 GJAB Clc1cccc(NCc2ccc(Br)cc2)c1N1CCOCC1 226240528 GNXWNMXQBHCJGC-UHFFFAOYSA-N 381.701 4.551 0 40 GJAB COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257234636 GULZACFLVPYDQA-FQEVSTJZSA-N 394.446 4.781 0 40 GJAB O=C(c1ccccn1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257278469 OCKHDQQSQFTONM-IBGZPJMESA-N 381.863 4.681 0 40 GJAB CCOc1cc(CNc2cccc(C)c2C)cc(I)c1O 409115225 JNHNGNLLGNVFDO-UHFFFAOYSA-N 397.256 4.624 0 40 GJAB O=C(Nc1cccc2cccnc12)[C@H]1Oc2ccccc2O[C@H]1c1ccccc1 526059747 CZNGIWVYACIMTA-GOTSBHOMSA-N 382.419 4.755 0 40 GJAB O=C(N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1cc(=O)c2ccccc2[nH]1 568200715 JTGVNEHVEDJIGN-DOTOQJQBSA-N 380.875 4.638 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1nc2ccccc2s1 606440744 XTEDFSNCBLAKJH-LBPRGKRZSA-N 386.523 4.550 0 40 GJAB Cc1ccc(-c2cccc(CNC(=O)Nc3ccc4c(c3)C(=O)N(C)CC4)c2)cc1 1669708897 VSUIXKNBWRGPBK-UHFFFAOYSA-N 399.494 4.612 0 40 GJAB COc1ccc(Cl)cc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1 1775966343 ZAICZSZSQGWKTQ-CQSZACIVSA-N 393.917 4.602 0 40 GJAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(-c3cccc(Cl)c3)nc21 2244946 GILQGLDLBBIYTJ-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB COc1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1OCc1c(C)noc1C 2661869 GIYORGLNSFZMSK-UHFFFAOYSA-N 392.455 4.620 0 40 GJAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ccccc1-c1ccccc1 3321735 MXAOGONJYWMHAA-NTCAYCPXSA-N 375.399 4.688 0 40 GJAB CC(=O)O[C@@H]1C=C2C=C[C@H]3[C@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 4074090 GVIBMJZVMHMBKI-BLDDEZIESA-N 384.516 4.733 0 40 GJAB biogenic CCc1ccc(-c2ccc(SCC(=O)Nc3cccc(C(C)=O)c3)nn2)cc1 4356315 RDFQREGLYHISCT-UHFFFAOYSA-N 391.496 4.639 0 40 GJAB Nc1nc2n(n1)[C@@H](c1c(Cl)cccc1Cl)C[C@@H](c1ccccc1Cl)N2 4690546 WPOGOLDKHGQWHK-UONOGXRCSA-N 394.693 4.967 0 40 GJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc(OC)cc1OC 4849279 AOFNMINPCWBDHN-UHFFFAOYSA-N 396.512 4.854 0 40 GJAB Cc1ccc(CCNc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc1 4924206 ZQQIPGMISNPPJQ-UHFFFAOYSA-N 397.950 4.785 0 40 GJAB Cc1cccc(OCc2nnc(SCC(=O)C34CC5CC(CC(C5)C3)C4)o2)c1 5293584 FWIIUSBLEOKQDB-UHFFFAOYSA-N 398.528 4.835 0 40 GJAB C/C=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C)c(OC)c1 5455975 ITWAVPYTWHNOAZ-SNAWJCMRSA-N 390.277 4.817 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2ccccc2Cl)cc1 6352066 CTBVMWQLKCVBIK-UHFFFAOYSA-N 376.909 4.553 0 40 GJAB CC(=O)c1cc2c(N)c(C(=O)c3ccc(Cl)cc3Cl)sc2nc1C 6527085 JMSABZZZZNNJDW-UHFFFAOYSA-N 379.268 4.927 0 40 GJAB O=C(CSc1nnnn1-c1ccccc1)c1ccc(C2CCCCC2)cc1 6885762 YYGBIPHQJUHUQJ-UHFFFAOYSA-N 378.501 4.685 0 40 GJAB CNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 6887116 BSOHMSZFPNIIBG-UHFFFAOYSA-N 399.347 4.595 0 40 GJAB CCCc1nnc(S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)O)[nH]1 7342216 BXILFVPTOUHQIG-AQTBWJFISA-N 395.484 4.554 0 40 GJAB CCOC(=O)c1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1C 10442199 OQUQUBLKSLSNRW-HMMYKYKNSA-N 375.424 4.944 0 40 GJAB CC(C)[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1cccs1 10855173 QPNQETFAFGRWKF-GOSISDBHSA-N 399.541 4.513 0 40 GJAB O=C(CCc1ccc(-c2ccccc2)o1)NCc1coc(-c2cccs2)n1 10873949 YODHYFQKOYGJNQ-UHFFFAOYSA-N 378.453 4.912 0 40 GJAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(F)c(F)c2)cs1 11378885 CVNJASSPYUHJDJ-RMKNXTFCSA-N 386.423 4.961 0 40 GJAB CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1)c1nc2cccnc2n1C(C)C 12114119 MOUQYKWXSXIWHQ-IBGZPJMESA-N 382.483 4.597 0 40 GJAB CC(C)CNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 12419691 AQGNGCXRORATJH-UHFFFAOYSA-N 396.921 4.957 0 40 GJAB COc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1C 12539151 MVAGHAQBYJDPTN-SFHVURJKSA-N 399.494 4.893 0 40 GJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cccc(C(F)(F)F)c1 12775781 WDPFZYFKWRZWFL-UHFFFAOYSA-N 397.353 4.625 0 40 GJAB CCn1c(/C(Cl)=C/c2cc(OC)cc(OC)c2)nc2cc(C(=O)O)ccc21 13055644 FBSUUYYGWZKKPB-SXGWCWSVSA-N 386.835 4.509 0 40 GJAB COc1ccc(-n2c(N)c(C(=O)Nc3ccc(C)cc3C)sc2=S)cc1 13547282 UMRHJZBRSCLWNG-UHFFFAOYSA-N 385.514 4.728 0 40 GJAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 13649732 NZPFWDJZLGTMFY-CYBMUJFWSA-N 396.350 4.786 0 40 GJAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@H](c1cccnc1)CC(=O)N2 15107632 HUJBWQHHNRQTPW-HNNXBMFYSA-N 397.887 4.831 0 40 GJAB C[C@@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)C(=O)c1ccccc1 16322523 ZEMJLRSNEDBPLT-MRXNPFEDSA-N 398.418 4.832 0 40 GJAB CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC[C@@H](C)C3)c(O)n2n1 16690029 SRUCLAWPDCBJCA-MLGOLLRUSA-N 390.940 4.534 0 40 GJAB Cc1ccc2occ(CN(CCCn3ccnc3)C[C@H]3CC=CCC3)c(=O)c2c1 19219767 KAMYGRNFWDDCEJ-FQEVSTJZSA-N 391.515 4.547 0 40 GJAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC2CCCC2)c(OC)c1 19874269 ASXPGUFNHADHRD-QHCPKHFHSA-N 392.499 4.742 0 40 GJAB Cc1c(C(=O)Nc2cccc(C(C)C)c2)nnn1-c1ccc(OC(F)F)cc1 19911387 GPHOIVMNEGWDBB-UHFFFAOYSA-N 386.402 4.553 0 40 GJAB Cc1ccnc(NC(=O)c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)c1 20426660 URGVAYHXZIKVGA-AWEZNQCLSA-N 378.272 4.514 0 40 GJAB COc1cccc(NC(=O)c2cccnc2Nc2ccc(Br)cc2)c1 22072105 HYGGRUDRSNENMA-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3)c3ccccn23)cc1 22760165 JEOJYJGMTDMEND-UHFFFAOYSA-N 383.451 4.567 0 40 GJAB CC(C)c1ccc(OCC(=O)NCc2cc(-c3cc4ccccc4o3)on2)cc1 22768765 BFVDNNVGOXDYQV-UHFFFAOYSA-N 390.439 4.906 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(F)c(F)c3F)n2)cc1 23395565 QFYYSXVHDHYYPM-UHFFFAOYSA-N 389.377 4.849 0 40 GJAB CCCCn1nc(C)c(C(=O)N[C@@H](C)c2ccccc2Br)c1Cl 23525896 WGSMOUZJEAPZJY-NSHDSACASA-N 398.732 4.899 0 40 GJAB CN(Cc1coc(-c2ccc(F)cc2)n1)Cc1ccccc1Br 24365461 GOENNUKLMPFEAR-UHFFFAOYSA-N 375.241 4.875 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2ccsc2)o1 24384316 DEVSCJRTTXDRLT-UHFFFAOYSA-N 377.469 4.774 0 40 GJAB CC(C)C(=O)Nc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 24969774 QFRHAWJCFUUZBO-UHFFFAOYSA-N 376.485 4.503 0 40 GJAB CC(C)c1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1 27580113 TVJCTSJTNYHFJN-HXUWFJFHSA-N 386.561 4.594 0 40 GJAB C[C@H](Nc1ncnc2cc(-c3ccc(F)cc3)sc12)c1nnc2ccccn12 32806470 CFENZMYOLNGLOA-LBPRGKRZSA-N 390.447 4.713 0 40 GJAB C[C@H](SCc1cc(Cl)c2c(c1)OCO2)C(=O)Nc1cc(F)ccc1F 32854200 ZHCSANGZJAQEBE-VIFPVBQESA-N 385.819 4.607 0 40 GJAB COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cnn(C)c4C)[C@@H](O)[C@@]3(C)CC[C@@H]21 36005150 CYLDEGQGXAFYIQ-HMXCSLFKSA-N 392.543 4.648 0 40 GJAB O=C(/C=C/c1cc2cccc3c2n(c1=O)CCC3)Nc1cccc2ccccc12 36625773 WQPZXHSGWVTGRC-BUHFOSPRSA-N 380.447 4.753 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1 36803789 KWTPCMPFJZWRJP-QFIPXVFZSA-N 376.456 4.630 0 40 GJAB O=C(c1ccc(Cn2ccnc2)cc1)N(Cc1ccccc1)Cc1ccccc1 38833115 WFLAQXDLCQYHMD-UHFFFAOYSA-N 381.479 4.774 0 40 GJAB CCCN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 40104460 SQHKLERVSPDCLN-UHFFFAOYSA-N 377.444 4.976 0 40 GJAB C[C@H](c1cccc(C(F)(F)F)c1)N(CC(=O)NCc1ccccc1F)C1CC1 40155725 GMMNWVLFOFZGPU-CQSZACIVSA-N 394.412 4.686 0 40 GJAB O=S(=O)(Nc1cccc(Nc2nc3ccccc3s2)c1)c1cccs1 40156331 DJFWQYGYUCLPQD-UHFFFAOYSA-N 387.511 4.902 0 40 GJAB Cn1c(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(Cl)c1Cl 47431434 YNXVIPGFQFKTPP-LBPRGKRZSA-N 380.300 4.919 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccccc1CN1CCCC1 52919910 QPVNKMJXYRZJNE-UHFFFAOYSA-N 392.522 4.514 0 40 GJAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1 53721944 CQJSSSIPTIUMBK-QGZVFWFLSA-N 398.551 4.703 0 40 GJAB COc1c(F)cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)cc1F 55948659 KVKUPOOAHWVVIJ-UHFFFAOYSA-N 389.377 4.674 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)OC)cc3)no2)cc1 61997094 ILIVBEOJYUOPEU-UHFFFAOYSA-N 394.427 4.559 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)n2)cc1 72029745 OHPWCWAYOXNLFQ-QZTJIDSGSA-N 377.469 4.511 0 40 GJAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72214805 CZPDRPCGKBYPLQ-IBGZPJMESA-N 395.503 4.820 0 40 GJAB Cc1ccc([C@@H](C)C(=O)N2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 72347874 SUHYCVFGLSDSQT-OAHLLOKOSA-N 398.890 4.524 0 40 GJAB O=C(CCOc1ccccc1)N1CCCC[C@H]1c1n[nH]cc1-c1cccc(F)c1 72356347 PHSRIXBPAWXBFJ-NRFANRHFSA-N 393.462 4.739 0 40 GJAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](c2cccc(-c3ccccc3)n2)C1 72361032 UTIOLRDLVWDJJC-IBGZPJMESA-N 382.467 4.645 0 40 GJAB Cc1ccc(-c2cn3nc(-c4ccccn4)c(-c4ccccn4)nc3n2)cc1C 72373384 JTSCEOBPGNAGHU-UHFFFAOYSA-N 378.439 4.532 0 40 GJAB COC[C@](C)(NC(=O)Nc1c(C)cc(Br)cc1C)c1ccccc1 79025530 WMSVJBIFSSEIRY-IBGZPJMESA-N 391.309 4.749 0 40 GJAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4C)C3=C(O)C2)cc1 102666636 NFUFBAQBJIGINC-AOMKIAJQSA-N 386.455 4.660 0 40 GJAB O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1Cl 107417995 BNMDBLCKHAZOTG-UHFFFAOYSA-N 385.316 4.785 0 40 GJAB C[C@H](NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 108850799 HUJBDQZODZRTGQ-ORGXJRBJSA-N 393.483 4.577 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccccc1Cl 224128186 BTBCRLMUILTWIP-HNNXBMFYSA-N 375.896 4.600 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2ccc(Cl)cc2)c1 225544545 RJSADILZCJMJFS-UHFFFAOYSA-N 397.327 4.699 0 40 GJAB CCc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 225695331 PAIYWTATDCXXNE-GOSISDBHSA-N 386.495 4.921 0 40 GJAB COc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1OC 225850102 WAZVTZWAHHENFR-UHFFFAOYSA-N 384.545 4.936 0 40 GJAB CCn1cc(CN2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)c(C)n1 257245451 IPOQFTBXQLSEIQ-QFIPXVFZSA-N 396.922 4.500 0 40 GJAB COc1ccccc1CNC(=S)c1ccc(OCc2ccc(F)cc2)cc1 408577138 RJNLVJICYIDQEX-UHFFFAOYSA-N 381.472 4.879 0 40 GJAB CCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1 409105409 JBIWZCUJQKDHAP-UHFFFAOYSA-N 380.517 4.703 0 40 GJAB CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C 627065999 NAAOAYYKUXWPCX-QMHKHESXSA-N 391.515 4.944 0 40 GJAB Cc1cc2cc(C)c3nnc(SCC(=O)N(C(C)C)C(C)C)n3c2cc1C 1223249 PFGJCXJJRVFXCX-UHFFFAOYSA-N 384.549 4.545 0 40 GJAB CCCCOC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 1747445 OWONGIIGDCASQL-UWVGGRQHSA-N 397.682 4.689 0 40 GJAB C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1768848 JWZBXKZZDYMDCJ-IGJVYBAVSA-N 390.564 4.686 0 40 GJAB biogenic CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1F 1927013 FPUHECHDLRPSFU-QFIPXVFZSA-N 387.458 4.644 0 40 GJAB CC[C@](C)(C(=O)Nc1c(C)cccc1C)N(C)C(=O)c1ccc2ccccc2n1 2259812 PFMPLDKGEVISQW-XMMPIXPASA-N 389.499 4.731 0 40 GJAB O=C1[C@@H]2CS[C@@H](c3ccccc3F)N2C(=O)N1c1cccc2ccccc12 2314651 RFNCHPMIEVCHSK-ICSRJNTNSA-N 378.428 4.562 0 40 GJAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cc(Br)ccc3O)c2C1 2465870 OTDALBYFKSTJJA-SNVBAGLBSA-N 393.281 4.546 0 40 GJAB O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccs1 2585879 OTFVOIGWAZDVSI-IBGZPJMESA-N 393.464 4.803 0 40 GJAB COC(=O)c1c(NC(=O)c2csc3c2CC[C@H](C)C3)sc2c1CCCC2 2708147 RCYMLHHKBWXGKI-NSHDSACASA-N 389.542 4.852 0 40 GJAB Cc1ccc2nc(NC(=O)CSc3nccn3-c3ccc(F)cc3)sc2c1 2723640 UJYSKBLMXCWREH-UHFFFAOYSA-N 398.488 4.660 0 40 GJAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)Nc3cccc(Cl)c3)c(C)c2c1 3296028 CQEZJJYEYUPGPS-GFCCVEGCSA-N 387.819 4.587 0 40 GJAB COc1ccc(C(=O)NCC[C@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 4044848 OVEJXWIQAFPTFM-RBBKRZOGSA-N 381.516 4.804 0 40 GJAB biogenic COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C 4113197 ZXIPCCQYEXGLTD-UHFFFAOYSA-N 387.439 4.808 0 40 GJAB CCN(CC)C(=O)c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 4198857 YLLAXADQRSHOST-UHFFFAOYSA-N 377.532 4.822 0 40 GJAB O=C(Nc1ccccc1)c1ccc(COC(=O)c2ccc3ncsc3c2)cc1 4326524 NIUGQIUZIXVMAY-UHFFFAOYSA-N 388.448 4.906 0 40 GJAB O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)C12CC3CC(CC(C3)C1)C2 4659404 ATFIESUHWURGKG-UHFFFAOYSA-N 388.471 4.682 0 40 GJAB O=S(=O)(c1cc(-c2nc3ccccc3s2)ccc1Cl)N1CCCCC1 4942364 UBFJPWZIPPLPFI-UHFFFAOYSA-N 392.933 4.791 0 40 GJAB COc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 5512481 RRRYFMYBEMXDEJ-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB CSc1nc2ccc(NCC(=O)N[C@@H]3CCCc4ccccc43)cc2s1 5694333 BXFAYKIXEUZTHE-MRXNPFEDSA-N 383.542 4.624 0 40 GJAB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cl)cccc2Cl)cc1 5871146 MYJWKFUXHJOKIU-JLHYYAGUSA-N 389.238 4.716 0 40 GJAB Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1 6140470 OMTOKBAGPMSVFX-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB Cc1cccc(NC(=O)CNc2nnc(-c3ccccc3)c3ccccc23)c1C 6561671 AXWGMGXNXJHSJJ-UHFFFAOYSA-N 382.467 4.964 0 40 GJAB CCOc1cc(C[C@@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC 6960502 RIRVSZSKVKSRCC-KRWDZBQOSA-N 391.876 4.558 0 40 GJAB O=C(COc1ccc(OCc2ccccc2)cc1)N1CCSc2ccccc21 6998723 OVKAIVSVJFLRMS-UHFFFAOYSA-N 391.492 4.783 0 40 GJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CC=C(c3ccccc3)CC2)o1 7457351 VDJGZIHITZBWOF-UHFFFAOYSA-N 398.466 4.989 0 40 GJAB CCc1nnc(S/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C(=O)O)o1 7508393 LYXIYKGRACRJRK-UVTDQMKNSA-N 388.470 4.902 0 40 GJAB C[C@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)c1ccc(F)cc1 7577233 MKZIGXPKIFDZPL-JTQLQIEISA-N 377.441 4.923 0 40 GJAB O=C(CSc1nc2ccccc2o1)N[C@@H](c1ccccc1)c1cccs1 7883806 MAJWLNIEASXNHP-IBGZPJMESA-N 380.494 4.887 0 40 GJAB Cc1nc(-c2cccs2)sc1C(=O)Nc1cccc(N2CCCC2=O)c1 8076350 HUSCABARXSJDQF-UHFFFAOYSA-N 383.498 4.559 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1nc2ccccc2o1 8193186 OBGSBDFZVWWPHO-UHFFFAOYSA-N 386.766 4.941 0 40 GJAB O=C(/C=C\c1ccccc1)N(C(=O)/C=C/c1ccccc1)C(=O)c1ccccc1 8628532 LBJMEPDITUKEKV-JQNBNMKOSA-N 381.431 4.609 0 40 GJAB COC(=O)c1sc2ccccc2c1NC(=O)c1cc2cccc(OC)c2o1 8960511 FZPQKZDJRKIBLZ-UHFFFAOYSA-N 381.409 4.695 0 40 GJAB Cc1ccc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 9063104 LCUBOXMXIVXLKX-UHFFFAOYSA-N 387.321 4.608 0 40 GJAB Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3)o2)cc1 9547643 BFGSPHNZEKUHDD-UHFFFAOYSA-N 399.406 4.693 0 40 GJAB CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccnc4)cc3o2)cc1 9660295 VXGYUOAYSFAVNJ-UHFFFAOYSA-N 386.407 4.506 0 40 GJAB biogenic COc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(-c2csc(C)n2)cc1 9951750 HBSWAXAYKAWHEW-CABCVRRESA-N 395.528 4.805 0 40 GJAB C[S@@](=O)Cc1cccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 10190802 SLZNKXLMNDUOIU-MHZLTWQESA-N 396.493 4.687 0 40 GJAB Cc1ccc2nc(COc3cccc(C(=O)Nc4ccccc4F)c3)cn2c1 11608815 WHAAYUGMKCQNTM-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 11656706 XXRUMRRSWYQWDV-ZDUSSCGKSA-N 391.471 4.512 0 40 GJAB Cn1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)n1 11695533 AVZDVAQFSCZSCP-UHFFFAOYSA-N 376.441 4.588 0 40 GJAB COc1cc(C(=O)N[C@@H](C)c2ccncc2)ccc1OCc1ccccc1Cl 12551846 USLOUNQGIMOOKT-HNNXBMFYSA-N 396.874 4.814 0 40 GJAB CCN(CC)c1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12564920 OUJMWMQPFCRVNZ-UHFFFAOYSA-N 384.480 4.772 0 40 GJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC23OCCO3)C1 12657136 DPBGWNOQXKBDCB-FYYUJBKDSA-N 376.537 4.704 0 40 GJAB O=C(Cc1ccccc1F)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 12923641 HZRBMWZLQKEGMI-UHFFFAOYSA-N 399.469 4.596 0 40 GJAB C/C=C/c1ccc(OCC(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)c(OC)c1 12928676 CSOBIBKWIRJSQR-YVARQFDVSA-N 388.847 4.575 0 40 GJAB COc1ccccc1NC(=S)N1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1 13471838 SMKDHJYZMJRZNE-UHFFFAOYSA-N 394.544 4.765 0 40 GJAB CN(C)c1ccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cc1 13956962 WFKIGSZQMRSZRX-UHFFFAOYSA-N 390.299 4.893 0 40 GJAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccccc3F)c3ccccc32)cc1 16778063 DXLKASKFSYMIMO-UHFFFAOYSA-N 387.414 4.612 0 40 GJAB Cc1ccc(C(=O)Cn2cc(-c3ccc(Cl)c(Cl)c3)[n+]3c2CCC3)cc1 17247277 NXLJBPNQEIZAGC-UHFFFAOYSA-N 386.302 4.887 0 40 GJAB CC(C)C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19085604 HHLXHPYHBGIJNR-HXUWFJFHSA-N 387.487 4.602 0 40 GJAB CC(C)C(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19085606 HHLXHPYHBGIJNR-FQEVSTJZSA-N 387.487 4.602 0 40 GJAB Cc1cccc(C(=O)N2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)c1 19234398 FHNXZIKGPUVGDM-UHFFFAOYSA-N 398.466 4.613 0 40 GJAB CC1CCN(Cc2ccc(C(=O)N[C@@H](C)c3nc4ccccc4s3)o2)CC1 19496923 DCHFGJRTHJDYTL-HNNXBMFYSA-N 383.517 4.612 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937701 DIXFFFVKONSARN-UHFFFAOYSA-N 395.890 4.703 0 40 GJAB CSc1nc(SCCc2ccccc2)c2c3c(sc2n1)CN(C)CC3 20357807 IKOJBPLWEMPEOM-UHFFFAOYSA-N 387.599 4.736 0 40 GJAB COc1cc2nc(NC(=O)c3cc4c(F)cccc4s3)sc2cc1OC 22284170 WXXPRQFBZPXZFY-UHFFFAOYSA-N 388.445 4.920 0 40 GJAB CC(C)N(CCNC(=O)c1ccccc1SCc1cccs1)C(C)C 22623215 HMKDTTICOBJQEF-UHFFFAOYSA-N 376.591 4.889 0 40 GJAB Cc1nc(NC(=O)[C@H]2CCCc3ccccc32)sc1-c1nccn1C(F)F 25673543 ULYUGHXAYTYVMO-AWEZNQCLSA-N 388.443 4.769 0 40 GJAB COc1ccc(C(=O)c2c(N)c(-c3nc4ccc(C)cc4[nH]3)c3ccccn23)cc1 31848422 CYOYBPRFOVEZHZ-UHFFFAOYSA-N 396.450 4.613 0 40 GJAB COc1cccc(-c2noc(CS[C@H](C)C(=O)Nc3cc(C)ccc3C)n2)c1 32779084 OEXJNHLCOUEIRM-OAHLLOKOSA-N 397.500 4.622 0 40 GJAB CCn1c(SCc2noc(-c3ccc(C)cc3)n2)nnc1-c1ccoc1C 32905986 TVKSGOJSSYCWHB-UHFFFAOYSA-N 381.461 4.517 0 40 GJAB O=C(c1ccccc1)[C@@H]1O[C@@]1(c1ccccc1)[C@@H]1O[C@H]1c1ccc(Cl)cc1 33378755 NGHPGSNFXORNTN-MYDTUXCISA-N 376.839 4.957 0 40 GJAB O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1c1ccccc1 40024906 IWYBQDRJUIFGKD-JOCHJYFZSA-N 384.414 4.987 0 40 GJAB Cc1cccc(CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c1 58155341 JOOPEZNVMQFSIO-UHFFFAOYSA-N 382.529 4.812 0 40 GJAB CCOC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccccc2Cl)c1C 58196546 MCQQQEKFSHVHES-CYBMUJFWSA-N 375.856 4.656 0 40 GJAB Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C1=O 59418694 LDOGPKJCIWJXHU-NFJKTXFASA-N 399.877 4.742 0 40 GJAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCCO2 67297390 SFOHGADHTJOOBL-LCUIJRPUSA-N 398.418 4.689 0 40 GJAB Cc1ccc([C@@H](C)C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)s1 72311320 JCJQNTHVGFOVGU-OAHLLOKOSA-N 396.487 4.868 0 40 GJAB FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)c1 72358623 QVUSLNPAGXFFNA-KRWDZBQOSA-N 398.432 4.937 0 40 GJAB C[C@](O)(CNC(=O)CSc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 77184172 CAWIQFUPXVNMGX-QHCPKHFHSA-N 395.499 4.609 0 40 GJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N[C@@H]1CCCC[C@@H]1C(F)(F)F 95950555 JZHSYFZRUYDIDA-UONOGXRCSA-N 384.398 4.971 0 40 GJAB CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 96052611 QGVIRXODUYUPKB-LJQANCHMSA-N 382.573 4.684 0 40 GJAB Cc1cc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c2c(-c3ccc(F)cc3)noc2n1 101986983 ZPYCPBKYWRMZBQ-GARXJVFOSA-N 393.462 4.892 0 40 GJAB COc1cccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1OC 169682507 DRMWSOVOERZZOW-WIDRLEPBSA-N 379.456 4.699 0 40 GJAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(C)cc1 193405459 CGMUKWBVLRQRTF-UHFFFAOYSA-N 394.544 4.929 0 40 GJAB O=C(NCc1ccc([C@H](O)c2ccsc2)s1)c1cccc2ccccc12 207965195 RLKRXGIXJHQUBS-HXUWFJFHSA-N 379.506 4.975 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(C(C)C)cc1 218962887 VTUOSQNYHBLFDL-FQEVSTJZSA-N 383.488 4.616 0 40 GJAB CCOc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1OCC 219278722 QIVUMRPRTQODHB-IBGZPJMESA-N 397.515 4.835 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1C(C)(C)C 223714149 MJXSQKZQIWQYIX-NRFANRHFSA-N 383.532 4.954 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 224772632 IHFLFFABVRRGGB-UHFFFAOYSA-N 399.878 4.517 0 40 GJAB C[C@@H](O)c1ccc(C2(CNC(=O)c3ccc4ncsc4c3)CCCC2)s1 225681473 WMEMCTDLKIOFJQ-CYBMUJFWSA-N 386.542 4.653 0 40 GJAB O=C(O)CCC[C@H](O)/C=C/C=C/C=C\[C@H](O)C/C=C\CCCCC(F)(F)F 299888807 YKIRCSCMMMEEDI-SJVBCBOQSA-N 390.442 4.701 0 40 GJAB CCCSC1=NC(C)=C(C(=O)OCC)[C@H](c2cccc(Cl)c2Cl)N1 408994718 ZUQQHXOQWHRZBK-HNNXBMFYSA-N 387.332 4.974 0 40 GJAB O=C(c1cccc(Cl)c1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 519327093 YRRSKWMKARCRJM-MRXNPFEDSA-N 388.653 5.000 0 40 GJAB O=C(Nc1cc(C(F)F)ccc1Cl)c1ccc(S(=O)(=O)C2CCC2)cc1 520762817 RSSAKLROMBECEJ-UHFFFAOYSA-N 399.846 4.856 0 40 GJAB COc1ccc(CCNC(=O)[C@H]2[C@H]3CC/C=C/CC/C=C\CC[C@H]32)cc1OC 584904344 HIORFBZGFBAVJO-RBTIBLQGSA-N 383.532 4.691 0 40 GJAB O=C(Nc1cccc(CNC[C@H]2COc3ccccc32)c1)c1ccccc1Cl 585083635 UKOMALADOYMRJY-KRWDZBQOSA-N 392.886 4.858 0 40 GJAB Cc1ccc(OCCC(=O)Nc2ccc(OCc3ccncc3)cc2)c(C)c1 591209405 QMTJPJJNECCHTD-UHFFFAOYSA-N 376.456 4.685 0 40 GJAB Nc1c2c(nc3c1cnn3-c1ccc(Cl)cc1)C[C@H](c1ccccc1)CC2=O 618256209 FYXCFJGQMTZVBB-AWEZNQCLSA-N 388.858 4.569 0 40 GJAB CCN(C(=O)Nc1ccc2c(c1)CCN(C)C2=O)[C@H](C)c1cc2ccccc2o1 667767347 FEYFLYFRWHBFCT-OAHLLOKOSA-N 391.471 4.676 0 40 GJAB Cc1cc([C@H](NC(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)C2CC2)ccc1F 1205494541 FMRKGTCHJBCSKL-OAQYLSRUSA-N 393.466 4.511 0 40 GJAB CCCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OCC)c(OCC)c2)c1 1780305 RPRDPWGQARWKQQ-ACCUITESSA-N 397.471 4.703 0 40 GJAB CCN(CC)CCCNc1ncnc2c1oc1nc(C(C)C)c3c(c12)CCC3 2221273 ZHCUYJKJBIMXKS-UHFFFAOYSA-N 381.524 4.527 0 40 GJAB O=C(Nc1ccc(Cl)cn1)c1ccc(-c2cc3ccccc3oc2=O)cc1 2429221 CWONEVAERXCKMM-UHFFFAOYSA-N 376.799 4.761 0 40 GJAB CCCOC(=O)c1cc(N2C(=O)c3cccc4cccc(c34)C2=O)ccc1Cl 2740185 GWEUQVQXBKHXOI-UHFFFAOYSA-N 393.826 4.861 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\N=C(c3ccccc3)OC2=O)o1 3173587 XWZNJUBPZSHHKU-ZHZULCJRSA-N 395.418 4.785 0 40 GJAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc2ccccc2cc1O 3348040 XBGPHGLLXCQXFC-UHFFFAOYSA-N 380.787 4.606 0 40 GJAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C 3360821 NQEXYQBVGLVHNQ-UHFFFAOYSA-N 398.322 4.574 0 40 GJAB CC1=C[C@H](C)[C@]2(COC(=O)CN3CCCCC3)CO[C@H](c3ccccc3)[C@H]1[C@H]2C 4026352 HNJMMPWWHNRBHV-IRYUZJHDSA-N 397.559 4.622 0 40 GJAB biogenic COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc3cc(Cl)ccc3[nH]1)CC2 4085582 BQQZPSHBTWGYGJ-LBPRGKRZSA-N 384.863 4.598 0 40 GJAB biogenic CSc1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 5602643 UWBGQQVGUHCNIZ-UHFFFAOYSA-N 392.727 4.625 0 40 GJAB O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCCN1CCCCC1 5604886 DXUWCCYFBAVUKQ-UHFFFAOYSA-N 395.934 4.517 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 6323130 DHXYOWYGYBMQEV-UHFFFAOYSA-N 390.936 4.991 0 40 GJAB COc1ccc([C@@H](Cc2nc3ccccc3[nH]2)NC(=O)c2ccc(C)cc2)cc1 6382557 LYHCTBYCGZMQFX-JOCHJYFZSA-N 385.467 4.594 0 40 GJAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Cl)cc(Cl)c1 6508778 OVOIFXKKUCJITK-HKUYNNGSSA-N 375.299 4.750 0 40 GJAB CSc1ncccc1C(=O)OCc1csc(-c2ccccc2Cl)n1 7657888 BQZRTSXZIFWTMO-UHFFFAOYSA-N 376.890 4.937 0 40 GJAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C)c(Cl)c4)c3)nn12 8071407 KXSXBNYIXLSJCQ-UHFFFAOYSA-N 397.891 4.629 0 40 GJAB COc1ccc(N(Cc2cccs2)S(=O)(=O)/C=C/c2ccccc2)cc1 8168031 YJZLSUDEQSFOOU-FYWRMAATSA-N 385.510 4.764 0 40 GJAB CCc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 9107393 MJXIGHXMYDRPFL-UHFFFAOYSA-N 384.479 4.981 0 40 GJAB CCc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 9336508 ASOOVSYTIAGJGR-SFHVURJKSA-N 390.512 4.572 0 40 GJAB CCCc1c(-c2ccccc2)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O 9530656 HBXAMHIUMPBHAW-UHFFFAOYSA-N 385.471 4.693 0 40 GJAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1cnc2ccccc2n1 10025225 CTXYRDVHIOYVCX-KRWDZBQOSA-N 387.508 4.965 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 10747629 VDXYSKQWVKPCJP-UHFFFAOYSA-N 380.425 4.826 0 40 GJAB O=C(CSc1ncc(-c2ccccc2)n1C1CC1)N1CCc2ccccc21 11262416 AVIBFOSAEREOTO-UHFFFAOYSA-N 375.497 4.566 0 40 GJAB Cc1ccccc1-n1nc(C)c(CN(Cc2sccc2C)C[C@@H](C)O)c1C 12185446 VJILNGIJTZUZLT-QGZVFWFLSA-N 383.561 4.550 0 40 GJAB O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2Cl)N1C[C@@H]1CCCO1 12561361 CUNBTPZMVIMVTF-KPZWWZAWSA-N 377.271 4.739 0 40 GJAB Cc1cc2occ(CC(=O)OCC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2cc1C 12569494 PHRDYACWNDDQES-UUOWRZLLSA-N 397.515 4.563 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12607045 PNNNWQQBXOOWSE-CYBMUJFWSA-N 395.261 4.623 0 40 GJAB Fc1cc2c(c(CN3CCc4sccc4[C@H]3c3ccccc3)c1)OCOC2 12745488 YCLNLIZDIPTLHL-OAQYLSRUSA-N 381.472 4.901 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(Br)o2)cc1 14068545 MSPZVGJOHMEPOV-OAHLLOKOSA-N 378.266 4.808 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 14397026 KUQNMUMSPQRRCZ-UHFFFAOYSA-N 388.895 4.620 0 40 GJAB Cc1ccc(-c2nc(CNC(=O)c3ccccc3Br)cs2)cc1 15832475 KVYMALWPZHVONO-UHFFFAOYSA-N 387.302 4.811 0 40 GJAB CCN(C(=O)CSc1nc2ccccc2n1CC)c1nc2ccccc2s1 20048171 IDJWCGPHNQTPEA-UHFFFAOYSA-N 396.541 4.811 0 40 GJAB Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 20486941 SHYKGUDZRIATPY-LJQANCHMSA-N 386.495 4.976 0 40 GJAB CCc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)C[C@@H](C)C3)cc1 20796919 PYJZXYPJRLYCJS-HNNXBMFYSA-N 375.472 4.952 0 40 GJAB Cc1ccc(-c2nonc2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1C 20899438 CJYQOFPOLCLLPH-UHFFFAOYSA-N 385.851 4.641 0 40 GJAB COCCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccco1)CC[C@@H](C)C3 22385845 MHGQECRBWUNUMD-GFCCVEGCSA-N 385.485 4.793 0 40 GJAB COc1cccc(C(=O)Nc2ccccc2-c2nc(Cc3ccccc3)no2)c1 22459710 IQIHRRKTDNJGCC-UHFFFAOYSA-N 385.423 4.588 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)c(Cl)c1 22516149 QUSYHMMAYIOSEF-GOSISDBHSA-N 389.879 4.930 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)c2sc(-c3ccccc3)nc2C)c1 24750553 IRGVMEBGCYSRCS-UHFFFAOYSA-N 386.860 4.811 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 29269060 VFXZTUADJHKVPA-LZNRXBQRSA-N 397.563 4.746 0 40 GJAB O=C(CSCCOc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 31729370 MPIDYRNXDACLOB-UHFFFAOYSA-N 379.953 4.537 0 40 GJAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1OC 32845937 WVRFCOGYBDPPJQ-QHCPKHFHSA-N 387.435 4.969 0 40 GJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)CSc1nc2ccccc2s1 32902670 BMNINZBDQPXVTL-KRWDZBQOSA-N 385.558 4.871 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1C 33245396 MYOZKLQCSGALKQ-OAHLLOKOSA-N 399.541 4.853 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 33820925 CVNYHSDFZXHMMJ-ADAHTZDYSA-N 390.564 4.686 0 40 GJAB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@H](C6)[C@H]5C4=O)cc3)sc2c1 36612951 PTTZGSPKOUXGIM-LOHFZDIYSA-N 386.476 4.583 0 40 GJAB CC(=O)Nc1cccc2c1N(C(=O)c1sc(-c3ccccc3)nc1C)CCC2 40157918 KAUSZRPOPTXHPQ-UHFFFAOYSA-N 391.496 4.670 0 40 GJAB COc1ccc(N2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 40485786 CYSMWOJPXDOLOS-OAQYLSRUSA-N 375.399 4.892 0 40 GJAB c1ccc(-c2cc(CN3CCC(c4n[nH]c(-c5ccccc5)n4)CC3)on2)cc1 58185058 YCOUVGODFVLGAN-UHFFFAOYSA-N 385.471 4.506 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1c2ccccc2C[C@@H]1C 65517748 AJUXDUZSIBDOCJ-ZDUSSCGKSA-N 383.854 4.624 0 40 GJAB COc1ccc2oc(/C=C/C(=O)Nc3cccc(C(=O)OC(C)C)c3)cc2c1 67339519 ZTTFFFTZQPFLFL-CSKARUKUSA-N 379.412 4.659 0 40 GJAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)c3scnc3C)n2)cc1 72358077 RJDLPVWSICROFS-HXUWFJFHSA-N 377.513 4.723 0 40 GJAB Cc1cc(CN(C)C)cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)c1 89585357 JMKMZDVHCQAGLF-UHFFFAOYSA-N 377.488 4.673 0 40 GJAB CC(C)n1ncc(C(=O)Nc2ccc(Oc3ccccc3)cn2)c1C(F)(F)F 95947557 DXMZIHJSTJQGCA-UHFFFAOYSA-N 390.365 4.922 0 40 GJAB CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21 96052608 XJDJPHZXJZDTBJ-SFHVURJKSA-N 382.573 4.684 0 40 GJAB O=C(O)/C=C/c1ccc(Cc2c(-c3ccccc3)c(=O)oc3cc(O)ccc23)cc1 140071186 YGKGINZAHYHTNB-JLHYYAGUSA-N 398.414 4.854 0 40 GJAB Cc1ccccc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 205661845 JQFWWNNPOOVEOV-REZTVBANSA-N 387.844 4.614 0 40 GJAB Cc1nc(-c2ccccc2NC(=O)c2cc(-c3cccs3)nn2C)cs1 208009803 VKJXGIBYFANATD-UHFFFAOYSA-N 380.498 4.833 0 40 GJAB Nc1ccc2nc(SCC(=O)Nc3ccccc3OC(F)(F)F)sc2c1 215750821 CIFOGCGVCVICNY-UHFFFAOYSA-N 399.419 4.508 0 40 GJAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 222737302 RKFMQEVVXLIMKQ-UHFFFAOYSA-N 396.556 4.929 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 222998582 XUDNCMKQASVJRG-QFIPXVFZSA-N 383.532 4.999 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C(C)C 223253963 LNDCBECXCRRUEX-INIZCTEOSA-N 387.545 4.655 0 40 GJAB CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223333445 YPFYQRSTGVEZJC-XMMPIXPASA-N 390.527 4.783 0 40 GJAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)s1 225443069 XTWCVNPUNHDEQZ-INIZCTEOSA-N 391.562 4.715 0 40 GJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225845722 NBONLYYXWIIFTF-AOMKIAJQSA-N 393.524 4.965 0 40 GJAB O=C(COc1ccc(F)cc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257202355 ALKIJPKTIBQENM-NRFANRHFSA-N 394.446 4.537 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCC[C@@H](C)C3)cc12 328593208 CMYYGKHAGAIHGV-DYVFJYSZSA-N 385.508 4.902 0 40 GJAB CC(C)(C)C(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 408628235 RGJVPRDIWFKYPT-UHFFFAOYSA-N 385.514 4.528 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)cc2)cc1C 409088887 MBSWBXBXXVMUQW-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 409171878 CJXHYMXNVOBUKS-INIZCTEOSA-N 394.496 4.637 0 40 GJAB C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1c(C(=O)O)oc2ccccc12 568066359 YFCBCIIJEDRJTM-YJYMSZOUSA-N 385.847 4.746 0 40 GJAB CC1(C)Cc2c(sc3nc(SCc4cccc(F)c4)nc(N)c23)CO1 2240370 NDOVSFGSJAFLRU-UHFFFAOYSA-N 375.494 4.556 0 40 GJAB COc1cc(NC(=O)c2ccccc2)c(Cl)cc1NC(=O)c1cccc(F)c1 2738363 FXRXGLMHCOJMII-UHFFFAOYSA-N 398.821 4.992 0 40 GJAB Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 3298591 FVILIVVTUSIQJE-UHFFFAOYSA-N 396.830 4.510 0 40 GJAB Cc1ccc(-n2ncc3c(=O)n(Cc4ccc(Cl)cc4Cl)cnc32)c(C)c1 4479321 FTPMJMXDQQDMET-UHFFFAOYSA-N 399.281 4.554 0 40 GJAB Cc1cccc(C)c1-n1nnnc1C1(N(N=O)c2ccccc2)CCCCC1 4765613 DPBFLOCWYAYSGU-UHFFFAOYSA-N 376.464 4.627 0 40 GJAB CCCCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccco1 4861141 KAYNMPRCCSXRIU-UHFFFAOYSA-N 390.896 4.722 0 40 GJAB CCCCNC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 4895137 OSKSOQKPKVLUKM-UHFFFAOYSA-N 385.920 4.959 0 40 GJAB Cc1cc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c2c3c(c(=O)oc2c1)CCC3 4950825 TYSJVFDRJWHSGP-UHFFFAOYSA-N 392.495 4.754 0 40 GJAB CN(C)CCCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12 4980568 DGZNIXGYVXEUIZ-UHFFFAOYSA-N 389.478 4.566 0 40 GJAB CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@H](C)CC)cc1 5737005 FVYFSIYBJASOJN-ACJLOTCBSA-N 389.521 4.513 0 40 GJAB COc1cc(/C=C/C(=O)N(C)Cc2ccc(SC)cc2)ccc1OC(F)F 6085432 XCVVTYNFLMKUSV-YRNVUSSQSA-N 393.455 4.690 0 40 GJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2OC)c1 6263851 IMUSQEONGCTEDB-UHFFFAOYSA-N 381.259 4.993 0 40 GJAB COc1ccc(-c2nnc(SCc3nnc(C)o3)n2[C@H]2CCCC[C@@H]2C)cc1 7432861 YEGLYRXKCMPUFU-GUYCJALGSA-N 399.520 4.689 0 40 GJAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CC[C@@H]2CCCC[C@H]2C1 8095278 UUMIHGXKSHQLCC-ICSRJNTNSA-N 386.499 4.587 0 40 GJAB COc1ccc(-c2csc3nc(C)nc(Sc4ncccn4)c23)cc1OC 8230263 ZCXWSLZXTMUCLI-UHFFFAOYSA-N 396.497 4.625 0 40 GJAB Cc1cc(Nc2ccc(Br)c(C)c2)n2nc(-c3ccco3)nc2n1 8616686 QNIBBVZNBWLLLR-UHFFFAOYSA-N 384.237 4.507 0 40 GJAB CC(=O)c1ccccc1NCC(=O)N[C@@H](c1ccc(C)cc1)c1cccs1 9220431 ZOLGHJJGVHBEQN-QFIPXVFZSA-N 378.497 4.577 0 40 GJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 9665660 RREPWNKPDOTQPA-UHFFFAOYSA-N 394.544 4.627 0 40 GJAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1 11541382 QRKKUPGKEKNDFN-UKRRQHHQSA-N 376.551 4.553 0 40 GJAB CC(C)c1cccc2sc(N(Cc3ccco3)C(=O)c3ccn(C)n3)nc12 11695570 CLWDCERQFFTOTM-UHFFFAOYSA-N 380.473 4.593 0 40 GJAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4ccc(Cl)nc4)C3)cc2c1C 12188492 MUFNBQSMLIFLJP-QGZVFWFLSA-N 395.890 4.620 0 40 GJAB O=C(/C=C/c1cccnc1)NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 12242825 CQSSUQLPIOZWKL-OAJJDEHYSA-N 396.899 4.597 0 40 GJAB CC(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 12274590 QAKJEEUMYZRVEX-UHFFFAOYSA-N 384.229 4.580 0 40 GJAB Brc1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)s1 12520817 ILHDHEXSEIHNPX-UHFFFAOYSA-N 393.291 4.729 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3Br)cc2)cs1 12975636 YMVYSSVFKZTNRN-UHFFFAOYSA-N 387.302 4.811 0 40 GJAB CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1Cl)O[C@@H](C)C2 12995312 DCVCNJPBNROPEF-NSHDSACASA-N 396.270 4.733 0 40 GJAB O[C@]12CCCC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N(Cc1ccccc1Cl)CC2 13139800 DHAIHTADTTVAFV-NMNUPHIUSA-N 399.918 4.937 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(OC)c1OC 13646596 NDOIVBICIOERTM-RBFDBLARSA-N 397.515 4.901 0 40 GJAB CCN(CC)C(=O)c1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1 14119044 OENRDLZPZFTHLB-UHFFFAOYSA-N 377.488 4.611 0 40 GJAB S=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1nnc2ccccn12 15154019 SUHSOMJQGFMTNK-CQSZACIVSA-N 392.315 4.570 0 40 GJAB O=C(C1CCC1)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 19294195 ANGDWSMQINFHOB-OAHLLOKOSA-N 398.507 4.785 0 40 GJAB COc1ccc(-c2ccnc(SCc3cc4c(cc3Cl)OCO4)n2)cc1 20120546 VKGNQCHARBOFOP-UHFFFAOYSA-N 386.860 4.827 0 40 GJAB Cc1cc(NC(=O)c2ccc(Cl)s2)n(-c2nc3c(F)cccc3s2)n1 21685378 KIECXGJRCFCDJU-UHFFFAOYSA-N 392.868 4.897 0 40 GJAB Cc1sc2nc(SCc3ncc(-c4ccc(F)cc4)o3)nc(N)c2c1C 24834044 MDVNZUKBIOWOLV-UHFFFAOYSA-N 386.477 4.977 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3c4c(cccc24)CC3)c1C 26274387 UUVBUNRJGOFTJZ-OAHLLOKOSA-N 389.451 4.514 0 40 GJAB C[C@@H]1CCC2=[N+](CC1)[C@@](O)(c1ccc(Cl)cc1)CN2c1ccc(Cl)cc1 27525386 UYKISXLFLZCPPW-VFNWGFHPSA-N 390.334 4.890 0 40 GJAB CCCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1 27989184 ROGVESGRGOWCAD-HXUWFJFHSA-N 386.561 4.884 0 40 GJAB CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@@H](c2ccccc2)C1 30030312 OSDKATJAKWGLEM-LJQANCHMSA-N 397.931 4.592 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1ccc(Cl)cc1 30752077 QTHUYHJNKYTLMG-SFHVURJKSA-N 377.937 4.855 0 40 GJAB Cc1cc(C)cc(NC(=O)CSCc2cc(=O)c3cc(C)cc(C)c3[nH]2)c1 33063702 OVROSAFNNCABNZ-UHFFFAOYSA-N 380.513 4.634 0 40 GJAB C[C@H]1C[C@@H](OC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C(=O)O1 40012294 BJHLYRQLSPNXTM-MEDUHNTESA-N 393.411 4.606 0 40 GJAB O=C(Nc1ccc(-c2nccs2)cc1)N1CCC([C@H](O)c2ccccc2)CC1 48326628 JZVOCNVJPRUZTC-HXUWFJFHSA-N 393.512 4.788 0 40 GJAB O=C1CSC(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)=N1 51330511 WEYCYEKZTKUHIW-CRQYIDQLSA-N 387.508 4.912 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 57412644 RZDNBADHITZMQN-UHFFFAOYSA-N 381.741 4.881 0 40 GJAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(C(F)(F)F)cc1 58950661 GHCNOCJOGXAVKK-UHFFFAOYSA-N 386.373 4.609 0 40 GJAB CCCCOc1ccccc1-c1cc2c(=O)n(Cc3cccc(F)c3)ccn2n1 64977389 SNLRDRSLPRZTIZ-UHFFFAOYSA-N 391.446 4.529 0 40 GJAB O=C(Nc1cccc(NC(=O)N2CCC[C@H]2c2ccsc2)c1)c1ccncc1 69519260 OFWNUTMDDBCUPF-IBGZPJMESA-N 392.484 4.764 0 40 GJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)c2nc3ccccc3s2)C1 77200199 DPCPUSCCSDWXJS-JKSUJKDBSA-N 395.484 4.586 0 40 GJAB COCCOc1c(Cl)cccc1NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 79067895 CMZZNRGOIPCWMV-KRWDZBQOSA-N 395.286 4.998 0 40 GJAB CCc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 100424559 WTKBULSCTIMOOH-VXKWHMMOSA-N 377.532 4.956 0 40 GJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C 118932766 DSIXHBFXZSSULK-FYSRCPGPSA-N 387.608 4.935 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 222865631 RGOBUIVHJBOECD-PMACEKPBSA-N 396.947 4.908 0 40 GJAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 222929857 FJRFMOAGZMNIDB-FGZHOGPDSA-N 390.556 4.809 0 40 GJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225163120 XFWLEVZDYWEVCK-AWEZNQCLSA-N 384.501 4.612 0 40 GJAB COc1ccc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc2c1 225335847 KPAXHOYZTAVCST-UHFFFAOYSA-N 382.268 4.956 0 40 GJAB O=C(Cc1ccc(Cl)cc1F)Nc1nnc(SCc2ccccc2)s1 225880601 BMSPYDVHVQIRJO-UHFFFAOYSA-N 393.896 4.804 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)c2nc(N)sc2c1 226312083 KDQZMGFYDJDVMK-UHFFFAOYSA-N 396.299 4.981 0 40 GJAB COC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 226333829 UFFNXHSVUCNPPF-WEVVVXLNSA-N 381.653 4.868 0 40 GJAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 408730875 JTOTUZVCLMHZPH-LSSDNNNWSA-N 393.486 4.740 0 40 GJAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 408840719 DHJUIBCXNVNOKU-CPNJWEJPSA-N 377.806 4.709 0 40 GJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1OC 408993025 BLSLQUDYFVJVAX-CODVICPNSA-N 379.456 4.699 0 40 GJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc3c(c1)OCO3)N2 408993468 DEYGOIMKPVRNFE-OFAXGOBFSA-N 385.419 4.585 0 40 GJAB Cc1ccccc1CSCCNC(=O)CSCc1ccccc1Cl 409027935 GPBGEBKNADADMD-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB CC(C)c1ocnc1CN1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1 2298067100 ROWMORSBMGJCDH-UHFFFAOYSA-N 384.398 4.740 0 40 GJAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c(C)c1 846093 MEBXEYDSFITQKI-UHFFFAOYSA-N 387.439 4.833 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1nccs1 1019988 MJCHBJYIEDXLDZ-INIZCTEOSA-N 394.839 4.653 0 40 GJAB CC(C)Cn1cnc2c(SCc3ccc(Cl)cc3Cl)nc(N)nc21 1679436 MLXSKOFAXKBMOL-UHFFFAOYSA-N 382.320 4.664 0 40 GJAB in-vitro CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc2c(c1)Cc1ccccc1-2 2344702 DSZLDNLSRMILDY-DEIPZHPTSA-N 392.502 4.895 0 40 GJAB O=S1(=O)c2ccccc2N[C@@H](c2cccc(Cl)c2)N1Cc1ccccc1 2502994 HJOFBPVRXJCUKD-HXUWFJFHSA-N 384.888 4.655 0 40 GJAB CCOC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)CCC(=O)O 2762060 OKMIOHVAGKVPQQ-UHFFFAOYSA-N 397.452 4.548 0 40 GJAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C)cc2)c1 3217621 BWMDVTOIEXMDTA-UHFFFAOYSA-N 387.435 4.660 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc2c3c(cccc13)CC2 4086416 IUZWIYOFICSUTG-UHFFFAOYSA-N 380.900 4.648 0 40 GJAB O=C(COc1ccc2ccccc2c1)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138235 QAASVWYUECQSBW-UHFFFAOYSA-N 384.479 4.895 0 40 GJAB O=C(Cc1cccc2ccccc12)Nc1c2c(nn1-c1ccccc1)CSC2 4223288 XAXIUNNQLRCRSM-UHFFFAOYSA-N 385.492 4.954 0 40 GJAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 4248113 POXYWMJMKOBUEY-JOCHJYFZSA-N 385.419 4.596 0 40 GJAB CCCCc1ccc(NC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1 4315076 FBTVKQSQPAMFQR-UHFFFAOYSA-N 390.531 4.724 0 40 GJAB COc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCCC3)n2)cc1OC 4757760 FJQRLBRYDJOZCA-UHFFFAOYSA-N 381.398 4.560 0 40 GJAB Cc1cccc(-c2c(NC(=O)Cc3ccccc3)n(C)c3ccccc3c2=O)c1 5206449 NWFNZVRCTNQQDQ-UHFFFAOYSA-N 382.463 4.695 0 40 GJAB CC(=O)Nc1ccc(Oc2ccc(Br)cc2)c(Br)c1 5378316 LGCGOIRIHFKYQV-UHFFFAOYSA-N 385.055 4.962 0 40 GJAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1ccc2ccccc2c1 5499701 ITYILKJGFWLEMI-UHFFFAOYSA-N 396.475 4.944 0 40 GJAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccc(Cl)cc1Cl 6881145 SDZGICZGULTBNP-IAQYHMDHSA-N 397.327 4.537 0 40 GJAB O=C(NC1CC1)[C@H](Oc1ccc(Cl)cc1Br)c1ccccc1 7142268 IUFDULPXRJXBRN-MRXNPFEDSA-N 380.669 4.501 0 40 GJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1OC 7883960 NTXSUVOKIKQXOP-HSZRJFAPSA-N 388.467 4.779 0 40 GJAB CCOc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 8036385 YKVXQGBJBGYUGC-UHFFFAOYSA-N 379.485 4.518 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1c(F)cccc1Cl 8041677 KJWWJANPJILCSB-IBGZPJMESA-N 395.927 4.995 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCc1ccc(-c2ccccc2)o1 8314290 GHZMVIBGHSVMTH-UHFFFAOYSA-N 399.494 4.783 0 40 GJAB O=C(CN(C1=NCCCS1)c1ccc(Br)cc1)c1ccccc1 8435927 XMWHOXONWIYXAG-UHFFFAOYSA-N 389.318 4.631 0 40 GJAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2C(C)C)o1 8571654 PVPNDOFYHBGGSL-UHFFFAOYSA-N 397.500 4.811 0 40 GJAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 8657347 FDADHFYCNJMBAA-IBGZPJMESA-N 397.478 4.614 0 40 GJAB COc1cccc(C(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2cccs2)c1 9260828 KIDSQEKYTIYZFB-FQEVSTJZSA-N 392.480 4.757 0 40 GJAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 11216529 JLZXZJBRYMCCFY-UHFFFAOYSA-N 389.386 4.780 0 40 GJAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)cc2c1C 12187846 NVSBDRPEWNKDQV-SFHVURJKSA-N 378.447 4.711 0 40 GJAB O=C(Cc1cccc2ccccc12)Nc1ccnn1Cc1ccccc1Cl 12595130 JURHLGOKLQAVSA-UHFFFAOYSA-N 375.859 4.919 0 40 GJAB COc1ccc(OC)c(NC(=O)c2oc3ccc(Br)cc3c2C)c1 12767055 YDBJTLOWUIQGHO-UHFFFAOYSA-N 390.233 4.773 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)CCc2nnc(-c3ccsc3)o2)CC1 12988493 FXZSGTMMPRYTEN-UHFFFAOYSA-N 375.538 4.842 0 40 GJAB Cc1c(CC(=O)Nc2nccs2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 13623829 ZJNHLWQOIVGCLL-UHFFFAOYSA-N 396.468 4.783 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2ccccc2-c2cc3ccccc3c(=O)o2)c1 13692389 MZBPBUNJBQQOIG-UHFFFAOYSA-N 398.418 4.671 0 40 GJAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13708263 NBNXASOPDIQGAJ-SFHVURJKSA-N 379.525 4.965 0 40 GJAB Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccn4)n3)n2)s1 14635340 QXOBUSHTEGNNPK-UHFFFAOYSA-N 398.538 4.880 0 40 GJAB COc1cc(/C=C/c2ccc3cccc(OC)c3n2)c(Br)cc1O 15016784 HHQUQSHWDJHBMY-VQHVLOKHSA-N 386.245 4.891 0 40 GJAB Cc1ccc(-c2nnc(COc3ccc(C)cc3-n3nc4ccccc4n3)o2)cc1 15084580 HXYJUQQYXIZSDN-UHFFFAOYSA-N 397.438 4.666 0 40 GJAB C[C@@H](SCc1ccccc1Br)C(=O)Nc1cc(F)ccc1F 15493174 FYTGEIZEEKEQEA-SNVBAGLBSA-N 386.261 4.988 0 40 GJAB COc1ccc(OC)c(Nc2nc(CC(=O)Nc3cccc(C)c3C)cs2)c1 16850279 HUABWIYKDUNWQZ-UHFFFAOYSA-N 397.500 4.702 0 40 GJAB COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1ccc(C)cc1 17081120 BMPMMSZJLJASHS-UHFFFAOYSA-N 396.537 4.997 0 40 GJAB C[C@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 18182905 SDCWCBCCXXJTKX-MJXNMMHHSA-N 396.874 4.518 0 40 GJAB Cc1c(C(=O)Nc2ccc3ccccc3c2)nnn1-c1ccc(OC(F)F)cc1 19911330 WIKNGONDVOAPAD-UHFFFAOYSA-N 394.381 4.583 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)c2ccccn2)cc(C)c1Cl 21524351 MVKQXYAOGDNALW-INIZCTEOSA-N 384.863 4.946 0 40 GJAB C[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1ccccc1F 22241845 SKNBPRYJQNNTTH-CQSZACIVSA-N 376.431 4.818 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc2c(cc1Br)OCCO2 24945361 SCKSKWHOQGICQG-ZZXKWVIFSA-N 394.652 4.526 0 40 GJAB CCN(CCCOc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl 27563843 DCVDAUYGDKFPJT-UHFFFAOYSA-N 381.303 4.723 0 40 GJAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(OC(C)C)c2)c1 36358690 FRICJINESKAISP-LJQANCHMSA-N 377.444 4.792 0 40 GJAB COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1OC 36716878 VGQBSKMMFCJUBM-UHFFFAOYSA-N 387.907 4.828 0 40 GJAB CC1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC1 40142820 BKXVPALWCFWSLK-UHFFFAOYSA-N 375.266 4.509 0 40 GJAB C[C@H](NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)c1ccc(F)cc1 40149957 RJHHDEHWAANMFN-INIZCTEOSA-N 380.467 4.551 0 40 GJAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC[C@@H]1c1ccccc1Cl 40152277 HQSDFQDRFXGOPM-HXUWFJFHSA-N 397.906 4.910 0 40 GJAB C[C@]1(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1(Cl)Cl 58377707 GFLRKGJHONZRKG-CQSZACIVSA-N 393.101 4.761 0 40 GJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc2c(c1)CCCN2C 64845639 RFQHXCCRIHNDHK-UHFFFAOYSA-N 385.533 4.676 0 40 GJAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 72349830 COTSEHOFROTGMW-INIZCTEOSA-N 393.512 4.542 0 40 GJAB Cc1cccc(Nc2cncc([C@H]3CCCN3Cc3cn(C)c4ccccc34)n2)n1 72376422 MAIZTOAYVHTJRP-JOCHJYFZSA-N 398.514 4.752 0 40 GJAB Cc1sc2ncnc(NCc3cccc(NC(=O)c4ccccn4)c3)c2c1C 95356850 INWMWPUQVBWWKQ-UHFFFAOYSA-N 389.484 4.568 0 40 GJAB C[C@H](NC(=O)Cc1cccc2ccccc12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95958246 LDBAQJREMNCCAP-FXAWDEMLSA-N 396.531 4.534 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3cccc(F)c3F)sc2C)cc1OC 95959445 BDPDFNOZMPDDPN-UHFFFAOYSA-N 390.411 4.666 0 40 GJAB O=C(/C=C/c1cnc2ccccc2n1)Nc1ccccc1NCCc1ccccc1 96011769 FYOQYJOQGFRKRP-CCEZHUSRSA-N 394.478 4.936 0 40 GJAB CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1 218934843 KCWIMAYBEDHGOB-LJQANCHMSA-N 385.504 4.648 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)[C@H](C)Oc2ccccc2Cl)c1 219056744 DVIUISHOPBQUCW-INIZCTEOSA-N 375.896 4.644 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 222949537 RBTDJWKJNPSGNV-CABCVRRESA-N 396.379 4.678 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1C 222954536 YJCQKUADLIHPMZ-YLJYHZDGSA-N 382.504 4.628 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 222958431 PDGBDPLMPOKGMM-QGZVFWFLSA-N 375.852 4.540 0 40 GJAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 223305333 CKKMRNUCOIVNTK-UHFFFAOYSA-N 386.517 4.560 0 40 GJAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3)c2)cc1 224088275 NRTNRMZXLADLSP-UHFFFAOYSA-N 377.440 4.925 0 40 GJAB COc1cc(NC(=O)c2ccc(OC)c(COC(C)C)c2)c(OC)cc1Cl 224431688 WPTBQYRHXKUTJR-UHFFFAOYSA-N 393.867 4.543 0 40 GJAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1ccccc1C(C)(C)C 224516721 MBALHPUUKSOSQE-KRWDZBQOSA-N 399.531 4.727 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NCCSC2CCCCC2)c1C 225358430 ZPPWQFMNUGRIQX-UHFFFAOYSA-N 380.579 4.524 0 40 GJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225730581 WMGNRTUKRYXMPA-DNVFCKCGSA-N 390.568 4.577 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225830113 BGODBOOSHPEWPM-SFHVURJKSA-N 399.494 4.960 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 257217718 DAHFWDVGXCXXFR-SFHVURJKSA-N 375.447 4.611 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 408657741 IZXACTIRPKIFEM-MJGOQNOKSA-N 379.500 4.889 0 40 GJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C)c2)cc1 408678706 USSSQDWVLMFTGT-UHFFFAOYSA-N 384.435 4.745 0 40 GJAB CC(=O)Nc1ccccc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 409178302 LYVHEDCJHMPMQO-UHFFFAOYSA-N 397.525 4.808 0 40 GJAB CCCN(C(=O)c1cncc2ccccc12)[C@H]1CCCN(Cc2ccccc2)C1 505023312 LFEMEOXTPZWKFF-QFIPXVFZSA-N 387.527 4.752 0 40 GJAB O=S(=O)(c1ccccc1-c1ccccc1)N1CCCO[C@H](c2ccccc2)C1 591819398 LAJFZJUVLSNOFQ-QFIPXVFZSA-N 393.508 4.506 0 40 GJAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1ccccc1Br 618257412 XDSQUZLCZTXWCL-CQSZACIVSA-N 376.275 4.666 0 40 GJAB Cn1nc(-c2cccs2)cc1CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 1775966599 OCYQTWFCAMEHTO-UHFFFAOYSA-N 399.947 4.930 0 40 GJAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)Nc1cccc(C(F)(F)F)c1 1775968366 DEUSWQCVSYDADU-CQSZACIVSA-N 396.390 4.882 0 40 GJAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 2049238328 GSSIBIORSPCRIO-DVFOPUQSSA-N 376.537 4.704 0 40 GJAB CCOc1ccc2cc3c(N)c(C(=O)Nc4cccc(OC)c4)sc3nc2c1 891602 QVNVXNHHYHWAIA-UHFFFAOYSA-N 393.468 4.691 0 40 GJAB O=C(OCC(=O)c1cccs1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 1107701 HIMUCRQWNXOQSQ-UHFFFAOYSA-N 390.420 4.505 0 40 GJAB O=C(NCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1ccccc1 1927064 IRSXAQYYEBNZJX-UHFFFAOYSA-N 393.849 4.807 0 40 GJAB Cc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)[C@@H]2CCOC(C)(C)C2)cc1 2299070 BDSWUGIHYGTWRP-WOJBJXKFSA-N 391.511 4.970 0 40 GJAB Cc1ccc(OC(=O)CCCSc2nnc(NCc3ccccc3)s2)cc1 3431842 XMKKEUMZBOMSTD-UHFFFAOYSA-N 399.541 4.937 0 40 GJAB CN(C)c1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1 4302343 PQXLNJJWLNUZKP-UHFFFAOYSA-N 390.299 4.893 0 40 GJAB aggregator CCOC(=O)[C@H](C)Oc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 4586207 VIEYULCHRBWYCJ-ZDUSSCGKSA-N 378.380 4.537 0 40 GJAB biogenic Cc1cc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)ccc1C(C)C 5258082 ROHJKXRUWFYNNN-QHCPKHFHSA-N 381.560 4.813 0 40 GJAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1Cl 5396321 LEHNFDYWYAUPOX-UHFFFAOYSA-N 389.933 4.894 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N[C@@H]1CCCc2ccccc21 5442755 XZHIWXNACOTRRE-DNQXCXABSA-N 398.506 4.742 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2ccc(C(C)C)cc2)NC(=S)N1 5446570 WNULKQMLYGFOSK-OAQYLSRUSA-N 393.556 4.858 0 40 GJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 5977179 PLZRKWNZKRSJCS-UHFFFAOYSA-N 399.299 4.613 0 40 GJAB COc1ccc(Cl)cc1-c1n[nH]c(SCCOc2ccc(Cl)cc2)n1 6009405 ZDOLLKXMKGXFTO-UHFFFAOYSA-N 396.299 4.958 0 40 GJAB O=C(CN(Cc1ccco1)Cc1cccs1)N1CC=C(c2ccccc2)CC1 7291951 VRUUZRRXBLJPCW-UHFFFAOYSA-N 392.524 4.659 0 40 GJAB Cc1nc2ccc(C(=O)OCc3csc(-c4ccc(F)cc4)n3)cc2nc1C 7558590 ZYJHZPJAXITKKG-UHFFFAOYSA-N 393.443 4.866 0 40 GJAB COc1ccc(-c2nnc(SC(=O)c3ccc(C(C)(C)C)cc3)o2)c(OC)c1 7939524 FSJZTUDSSRRQFZ-UHFFFAOYSA-N 398.484 4.984 0 40 GJAB O=C1CCCCCN1CCCNc1ncnc2scc(-c3ccc(F)cc3)c12 7981827 YIXHWPQNCWOKTB-UHFFFAOYSA-N 398.507 4.702 0 40 GJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCC[C@@H]2CCCC[C@H]21 8187253 CNTOHWFNZASGLT-GHTZIAJQSA-N 386.499 4.729 0 40 GJAB C[C@H]1CCN(C(=O)CSc2ncnc3ccccc23)c2ccccc2S1 8188674 CCESRZQPNVPEEW-AWEZNQCLSA-N 381.526 4.639 0 40 GJAB Cc1cccc2nc(C(=O)N(CCc3cccs3)Cc3cccs3)cn12 8216509 JRTALRJICRDTFG-UHFFFAOYSA-N 381.526 4.651 0 40 GJAB Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)N1CCCCCC1 8771681 YCVDILNHKKXJCE-UHFFFAOYSA-N 392.912 4.765 0 40 GJAB COc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 9951752 HBSWAXAYKAWHEW-GJZGRUSLSA-N 395.528 4.805 0 40 GJAB C[C@@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)NCC(F)(F)F 10398262 CHYLFDRQOSFYRR-GFCCVEGCSA-N 385.455 4.701 0 40 GJAB Cc1noc(C)c1CC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 12687126 PUOCSVLMKYPLHF-UHFFFAOYSA-N 386.398 4.665 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1 12994154 JQJLYTWVKLENTD-LBPRGKRZSA-N 393.270 4.526 0 40 GJAB O=C(O)c1ccc(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 13092284 SNTUHPYPFMQSFG-UHFFFAOYSA-N 389.329 4.594 0 40 GJAB CCCCCCn1c(SCc2cc(=O)n3ccccc3n2)nc2ccccc21 15349783 XHROQUHEPACVTH-UHFFFAOYSA-N 392.528 4.917 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(CN2CCCC2)cc1 16102184 ZTRFDPZIVXZEAW-UHFFFAOYSA-N 391.540 4.644 0 40 GJAB Nc1c(C(=O)Nc2nc3ccccc3s2)sc2nc3c(cc12)CCCC3 18195362 IQGUPGQRVKPBQO-UHFFFAOYSA-N 380.498 4.619 0 40 GJAB CS(=O)(=O)c1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1 18941204 IQMRALGDWDYUKK-UHFFFAOYSA-N 398.431 4.976 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)c2ccccc2OCc2ccccc2)cc1 20454971 YPLPVLPFDGJDLN-UHFFFAOYSA-N 397.478 4.690 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OC(C)C)c(OC)c1 20457574 BOFZQRNVNWFOCG-QGZVFWFLSA-N 391.895 4.610 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)c1sc(N(C)c2ccccc2)nc1C 22245589 BHCAXXSPXYEIAK-CQSZACIVSA-N 381.501 4.719 0 40 GJAB Cc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 22540796 HAFFIQJDOXYZDE-ZDUSSCGKSA-N 379.287 4.735 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)Nc1ccccc1 22907651 XVSCGQXVIUFOAD-FQEVSTJZSA-N 377.513 4.669 0 40 GJAB Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 23157183 SRFDAWJCAMRPEL-CLCXKQKWSA-N 398.576 4.996 0 40 GJAB CC(=O)Nc1cccc(-n2c(SCc3cccc(F)c3)nnc2C2CC2)c1 26134038 VVJAHBBPIAYIAM-UHFFFAOYSA-N 382.464 4.535 0 40 GJAB Cc1ccc(C)c(NC(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)c1 28306144 OQCWXWMRAZHWAI-UHFFFAOYSA-N 388.830 4.973 0 40 GJAB Cc1ccc(CCC2CCN(C(=O)CCn3cnc4ccccc43)CC2)cc1 29001989 YTTJGFAQQUKSOV-UHFFFAOYSA-N 375.516 4.606 0 40 GJAB O=C(Nc1cccc(Br)c1)c1ccc(OCc2cccnc2)cc1 32034504 ARZFWBFDLJQYJK-UHFFFAOYSA-N 383.245 4.675 0 40 GJAB Cc1cc(C(F)(F)F)nc2sc(C(=O)N[C@H](C)c3ccccc3)c(N)c12 32117841 KALQBLQQAFDTJI-SNVBAGLBSA-N 379.407 4.697 0 40 GJAB CCOCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OC 32450784 ZDGJCTGXXUMJFS-UHFFFAOYSA-N 375.468 4.751 0 40 GJAB CSc1nc2ccc(NC(=O)c3ccc(Cn4ccnc4)cc3)cc2s1 32913046 CCPKNUNGARRKJA-UHFFFAOYSA-N 380.498 4.515 0 40 GJAB O=C1S/C(=C\c2ccccc2F)C(=O)N1CNc1cccc(C(F)(F)F)c1 33394973 ZNOFTPOVKKDRPE-NVNXTCNLSA-N 396.365 4.950 0 40 GJAB CCc1ccccc1NC(=S)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 35289058 CDLIFSLWWPCFIG-SEJPIABJSA-N 379.573 4.731 0 40 GJAB COc1cc([C@H](C)NC(=O)/C=C/c2nc3ccccc3o2)ccc1OCC(C)C 40087666 AIVWRPUIFSXQCR-PCUGXKRQSA-N 394.471 4.762 0 40 GJAB COc1ccccc1Cn1c(SCc2ccccc2)nc2ccccc2c1=O 67258415 CEJSXRVSUGXXAF-UHFFFAOYSA-N 388.492 4.746 0 40 GJAB c1cc([C@H]2CCCCN2Cc2ccc3[nH]ccc3c2)nc(Nc2nccs2)n1 72378113 WARVKXIIVPOFBB-LJQANCHMSA-N 390.516 4.885 0 40 GJAB O=C(Nc1cccnc1Oc1ccc2c(c1)N=C(O)CC2)c1cccc(F)c1 72406358 SUVWXBZJYQUEJA-UHFFFAOYSA-N 377.375 4.800 0 40 GJAB Cc1nccn1-c1ccc([C@@H](C)NC(=O)CCc2cccc(Cl)c2)cc1F 79025085 VSLNXNZGWNIPGG-CQSZACIVSA-N 385.870 4.783 0 40 GJAB COc1ccccc1Cc1nnc(-c2cnc3onc(-c4ccccc4)c3c2)o1 83980408 YHJCMFJZHUEBLR-UHFFFAOYSA-N 384.395 4.539 0 40 GJAB COc1ccc(-c2csc(C3=C(O)CN(c4ccccc4F)C3=N)n2)cc1 102730190 LSBWBSRQIWTBJJ-UHFFFAOYSA-N 381.432 4.724 0 40 GJAB C[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 222976134 QVCKCWKKQPEKGX-GOSISDBHSA-N 394.534 4.794 0 40 GJAB Cc1ccc(C)c(C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 223492128 HSWYNRDZIIXXIS-UHFFFAOYSA-N 377.488 4.923 0 40 GJAB COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)c(Cl)c1Cl 223638559 NWQVYFYHGSWYRK-UHFFFAOYSA-N 390.288 4.590 0 40 GJAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1Cl 224141073 OELRFSQYBGJSMP-UHFFFAOYSA-N 399.849 4.997 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 224971979 BNRUINKPQRTKDA-UHFFFAOYSA-N 386.495 4.921 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)cc3)ccc21 225076218 AJZQZKAEFNJCSV-UHFFFAOYSA-N 392.933 4.608 0 40 GJAB Nc1cc(C(=O)N2CCCC2)ccc1N(Cc1ccccc1)Cc1ccccc1 225437420 WQGNXCXVVXZWNL-UHFFFAOYSA-N 385.511 4.712 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225699654 YFHLWGKDTWLZNR-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Br)c1 226333339 XFMFIGHLFWQGHA-CSKARUKUSA-N 379.225 4.744 0 40 GJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(C[C@@H]2CC=CCC2)C1 247805332 ANZNQKFCIDZDIG-RQTOMXEWSA-N 395.591 4.888 0 40 GJAB COc1ccc(-c2ccc(OC(=O)c3ccc(Cl)cc3Cl)nn2)cc1 408527697 HBGKYEKZTUCKLW-UHFFFAOYSA-N 375.211 4.678 0 40 GJAB COc1cccc(CNC(=S)c2ccc(OCc3ccccc3)c(OC)c2)c1 408573748 KGGSPDPCRAQXMQ-UHFFFAOYSA-N 393.508 4.748 0 40 GJAB Fc1cccc(Cl)c1COc1ccc(C(=S)NC[C@@H]2CCCO2)cc1 408575249 NKIHWTGKPVXQJD-HNNXBMFYSA-N 379.884 4.502 0 40 GJAB Cc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2C)n1 408699679 VPEBQMABRNCTIE-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB COc1ccc(Br)c2c1-c1[nH]c(=Nc3ccccc3)sc1CC2 408887553 ROTUKMLMAABYPY-UHFFFAOYSA-N 387.302 4.845 0 40 GJAB CC(C)c1ccc([C@@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc1 409119525 WWNBGIYONJIHDX-FQEVSTJZSA-N 391.467 4.876 0 40 GJAB CCOc1ccc2cc(C3=CS[C](Nc4ccc(C)cc4)N3)c(=O)oc2c1 409416301 WJEGZONRIOLVLT-UHFFFAOYSA-N 379.461 4.694 0 40 GJAB Cc1c(NC(=O)c2cccc(Br)c2)cnn1-c1ccc(Cl)cc1 570550774 HDMOJPRNPMVXTD-UHFFFAOYSA-N 390.668 4.849 0 40 GJAB Cc1nnc(CN(C)C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)s1 664439505 YNFYMEHFVFWSTM-GOSISDBHSA-N 392.956 4.963 0 40 GJAB Cc1cc(C)c(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(Cl)c1 951493 ZACJIBFARCWICD-SFHVURJKSA-N 398.890 4.606 0 40 GJAB O=c1c2cc(Cl)cc(Cl)c2nc(-c2ccc(Cl)cc2Cl)n1O 1382190 XQVHEXNNBLVPLR-UHFFFAOYSA-N 376.026 4.914 0 40 GJAB COc1ccc(-c2cn(C(=O)c3cccs3)nc2-c2ccc(OC)cc2)cc1 1393529 DNJULHZUYGXQCJ-UHFFFAOYSA-N 390.464 4.984 0 40 GJAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 2134882 SJTQIWDIYDLIKN-UHFFFAOYSA-N 398.528 4.678 0 40 GJAB CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C(C)C)cc1)CC2=O 2432058 IDJXMPKEUORTLF-GOSISDBHSA-N 379.504 4.887 0 40 GJAB O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1c(Cl)cccc1Cl 2637623 DGSMNAMAYGFBLO-UHFFFAOYSA-N 386.178 4.693 0 40 GJAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc2ccccc2c1 3235527 UVMTZFSKKUOYIV-UHFFFAOYSA-N 375.758 4.567 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc(-c2cccnc2)s1 3242133 UQGCQSFDMTXAFH-UHFFFAOYSA-N 386.480 4.761 0 40 GJAB Cc1cc(=O)oc2cc(OCC(=O)OCc3ccc(Cl)c(Cl)c3)ccc12 3248160 QGLUVTNMFNWDMQ-UHFFFAOYSA-N 393.222 4.530 0 40 GJAB Cc1cc2oc(=O)cc(COC(=O)c3cc4c(s3)CC[C@@H](C)C4)c2cc1C 3398769 RDSDAQNFDXIWBI-GFCCVEGCSA-N 382.481 4.953 0 40 GJAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 4649487 JKPZBHQGNVWBHJ-UHFFFAOYSA-N 388.511 4.566 0 40 GJAB CC(C)c1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 4979634 WEQCGFDMDRDAMZ-UHFFFAOYSA-N 388.467 4.642 0 40 GJAB CCc1cccc2sc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)nc12 5181570 QXTGFBZCQYTUPS-UHFFFAOYSA-N 391.949 4.536 0 40 GJAB Cc1nn(-c2ccc(F)cc2)cc1/C=C(\CC(=O)O)c1nc2ccccc2s1 6087358 MOROJJQLBVZPHQ-GXDHUFHOSA-N 393.443 4.945 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2Cl)cc1OC 6260097 NTESZACYZGRNNT-XBXARRHUSA-N 396.668 4.772 0 40 GJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)cc1 6554864 VUCMHWRTPNMBTB-GFCCVEGCSA-N 378.266 4.887 0 40 GJAB COc1ccccc1N1C[C@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1=O 7668684 MDFMPEGKPVMGHS-QGZVFWFLSA-N 394.515 4.934 0 40 GJAB COc1ccc2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2c1 7995741 UMDIPFLZJYINCU-UHFFFAOYSA-N 381.482 4.610 0 40 GJAB COc1ccc(Br)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1 8072455 GJIISRJQAPWXQZ-UHFFFAOYSA-N 386.648 4.522 0 40 GJAB Cc1ccc(NC(=O)[C@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)cc1 8162630 DSIVBNZOIKAWIY-XMMPIXPASA-N 399.494 4.914 0 40 GJAB Clc1ccc(OCc2nn3c(CSc4ccccc4)nnc3s2)cc1 8393225 MOQUNMITYZPADZ-UHFFFAOYSA-N 388.905 4.711 0 40 GJAB Cc1ccccc1NC(=O)Nc1cnn(Cc2ccc(Br)cc2)c1 8571528 GLHKWQSUJBRUAX-UHFFFAOYSA-N 385.265 4.646 0 40 GJAB CC1(C)COc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2NC1=O 8959215 XPUAAMHGWXPYOK-UHFFFAOYSA-N 386.451 4.963 0 40 GJAB O=C(CNc1ccco1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 11690652 PQUGRUDIZJFWHE-UHFFFAOYSA-N 382.272 4.684 0 40 GJAB CCc1ccccc1NC(=O)c1csc2nc(-c3ccc(OC)cc3)cn12 11902842 JPSXSBXJGYODPE-UHFFFAOYSA-N 377.469 4.886 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)Cc2ccccc2)cc1 12420673 MTNWNLGRIBZIDH-UHFFFAOYSA-N 391.442 4.831 0 40 GJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O 12627908 ZTMLMIVWKXJQAV-FQEVSTJZSA-N 375.516 4.785 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 12697012 UNNRRZKPNGRMTD-FRRDWIJNSA-N 397.466 4.919 0 40 GJAB CCn1c(SC[C@@H]2CCCO2)nc2sc(-c3ccccc3)c(C)c2c1=O 12731984 GRSKLKSXEQLDIT-HNNXBMFYSA-N 386.542 4.724 0 40 GJAB C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 13040452 HCAJRVQHMBQOSY-GFCCVEGCSA-N 385.722 4.956 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1ccccc1)CC2 18174527 XHLGTDJZWRQQEW-NRFANRHFSA-N 394.496 4.945 0 40 GJAB O=C1C2=C(CCCC2)[C@H](NCCc2ccc(Cl)cc2)N1CCc1ccccc1 20130252 VRTGRADPAUZFKI-HSZRJFAPSA-N 394.946 4.754 0 40 GJAB Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2n2c(C)nnc12 21657970 NVGRCYGPMAAZEC-UHFFFAOYSA-N 387.468 4.842 0 40 GJAB Cc1ccc(-c2csc(NC(=O)CCc3nnc(-c4ccccc4)o3)n2)cc1 22065456 FYYRPRPLRKJQRV-UHFFFAOYSA-N 390.468 4.740 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 22522339 HBAWWSAMBZVRIN-KUHUBIRLSA-N 393.936 4.803 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C)CCc3ccccc3)n2)cc1 23682501 NGHPWORJCKHGSB-GOSISDBHSA-N 391.515 4.930 0 40 GJAB C[C@@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1cccc2ccccc12 26246743 ZMKNBHCKSPZYMO-DYESRHJHSA-N 375.468 4.889 0 40 GJAB O=C1CN(C(=O)c2ccccc2)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28047878 KANGBDWQTKWAEF-OAQYLSRUSA-N 394.833 4.663 0 40 GJAB O=C(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1 32593619 TVQDDRBNIFOBKF-UHFFFAOYSA-N 396.251 4.672 0 40 GJAB Cc1cc(C)c2[nH]c(=O)c(-c3nc4ccc(C)cn4c3NCc3ccco3)cc2c1 35312117 KNLHWWGCRDENLE-UHFFFAOYSA-N 398.466 4.973 0 40 GJAB CCCc1cc(=O)[nH]c(SCc2ccc(C(=O)Nc3cccc(C)c3)cc2)n1 36646436 YFFZBDJDBQOLAI-UHFFFAOYSA-N 393.512 4.575 0 40 GJAB biogenic,in-vitro Cc1cc(CN2CCN(C(=O)Nc3ccc(C(C)C)cc3C(C)C)CC2)on1 40104923 LKNSFDRXNNAMOQ-UHFFFAOYSA-N 384.524 4.580 0 40 GJAB CN(C)c1ccc(C[C@H]([C@H](O)c2ccc(Cl)cc2Cl)n2ccnc2)cc1 40254507 VKFUYXLOJGHRBX-WOJBJXKFSA-N 390.314 4.773 0 40 GJAB COc1cccc2cc(C(=O)N3CCC(COCc4ccccc4)CC3)oc12 49445603 MIICHLWFQVNBMV-UHFFFAOYSA-N 379.456 4.510 0 40 GJAB O=C(Nc1cc(NC(=O)N2CCc3ccccc3C2)ccc1F)C1CCCCC1 58289390 XXOKGJYNKJCMGG-UHFFFAOYSA-N 395.478 4.935 0 40 GJAB Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1 58296259 AQQWOAWTZZUFET-UHFFFAOYSA-N 389.455 4.890 0 40 GJAB COc1ccc(C2(CNC(=O)c3cc4c(C)nn(C)c4s3)CCCCC2)cc1 72036607 PZOZYNGOXLAZOW-UHFFFAOYSA-N 397.544 4.584 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(C)ccn2)C12CCCC2 79484116 HEIYTSXNVQYONC-LAUBAEHRSA-N 391.515 4.679 0 40 GJAB C[S@@](=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 95953047 ZNEKLXNMLHMXLV-MHZLTWQESA-N 392.505 4.953 0 40 GJAB O=C(c1ccccc1Cl)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220685132 UDYFYUDVNLWXGO-AWEZNQCLSA-N 399.853 4.624 0 40 GJAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)S1 222624229 DEJLYBVMSFNIQA-GKCIPKSASA-N 378.476 4.601 0 40 GJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3Cc3ccco3)N21 222686511 XPLXNRRUGMZVHA-RYGJVYDSSA-N 378.501 4.504 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)c(C)c1 222889450 PODWVSXCLINZDM-VXKWHMMOSA-N 390.556 4.872 0 40 GJAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1CSc1ccc(Cl)cc1 224346252 DVYJQSIEUMGPBG-QGZVFWFLSA-N 391.920 4.550 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCCN1CCCc2ccccc21 224981537 QXSJIMTZLMAGSC-UHFFFAOYSA-N 384.523 4.855 0 40 GJAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c1 225538250 BHQBWELVNJRXTM-KRWDZBQOSA-N 381.545 4.786 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)N1CC(COc2ccc(F)cc2)C1 225560830 QZSJRILXYYANMK-UHFFFAOYSA-N 389.470 4.885 0 40 GJAB O=C(c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCCCCC1 408976232 DZJGDAPCLZWBLI-UHFFFAOYSA-N 385.471 4.636 0 40 GJAB CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1 409095197 GQHHBHBRVMRMHY-UHFFFAOYSA-N 380.517 4.703 0 40 GJAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CCc1ccccc1 409210966 MGNASPWSSFFBCK-FOWTUZBSSA-N 388.286 4.728 0 40 GJAB FC(F)(F)Oc1ccccc1[C@@H]1C[C@H]1c1nc(-c2ccc3nc[nH]c3c2)no1 545752298 HTFOZAYVZQFDNC-QWHCGFSZSA-N 386.333 4.783 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@]3(CCCN3Cc3cc(F)ccc3F)CC2)o1 585100355 GDGUIBIOAVFBQM-QFIPXVFZSA-N 388.458 4.527 0 40 GJAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC1CCCC1 900940 GDXXHIAJFHVKFM-LBPRGKRZSA-N 395.450 4.702 0 40 GJAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccc2ccccc2n1 1353786 SLMXBUHCCVKKFL-UHFFFAOYSA-N 399.425 4.954 0 40 GJAB CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 2126281 MCTDXPDDZLFJHR-SODVOOIJSA-N 382.500 4.941 0 40 GJAB COc1ccccc1CNC(=O)c1ccccc1OCc1ccccc1Cl 3247554 IQRZETJATJKTHM-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB O=C(COC(=O)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 3370585 JJGUYGXMHPAMEG-UHFFFAOYSA-N 381.815 4.928 0 40 GJAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3977949 PSGAAPLEWMOORI-GZUJMHLCSA-N 386.532 4.655 0 40 GJAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)ccc1O 4113183 SDZBYZPRZDUPEG-GFCCVEGCSA-N 384.501 4.517 0 40 GJAB Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c1 4700749 GQJBDFKIDWPJNT-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB Cc1ccc([C@H](O)[P@@](=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc1 5029742 ZMDMYYXWJFSAGA-RLWLMLJZSA-N 375.449 4.718 0 40 GJAB Cc1nc(CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cs1 5183541 ZMBVARUERHZDJQ-UHFFFAOYSA-N 394.319 4.519 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nc(C)nc3sc4c(c23)CCC4)c1 6114274 HQEGDUMQWKHMBZ-UHFFFAOYSA-N 383.542 4.836 0 40 GJAB CCCOc1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1OCC 6593491 AEYFSQBNZTUOEB-UHFFFAOYSA-N 389.451 4.824 0 40 GJAB CC(=O)c1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1 6643835 WTEMRSNFEWAMQH-UHFFFAOYSA-N 398.256 4.822 0 40 GJAB COc1ccc(CC(=O)N(Cc2cccs2)Cc2ccccc2OC)cc1 7596856 POEFUOYEWODOJZ-UHFFFAOYSA-N 381.497 4.537 0 40 GJAB CC[C@H](C)c1ccc(-n2c(S[C@H](C)C(=O)OC)nc3ccccc3c2=O)cc1 7735501 WRWVDABRHJRVOQ-LSDHHAIUSA-N 396.512 4.553 0 40 GJAB COc1ccc2c(CC(=O)Nc3ccnn3Cc3ccccc3Cl)coc2c1 8073502 PFTBANJHISIGKD-UHFFFAOYSA-N 395.846 4.521 0 40 GJAB C[C@H](CC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccccc1 9156337 SWDXLLZVFLGUMG-CQSZACIVSA-N 380.469 4.714 0 40 GJAB CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)s2)sc2c1CC[C@H](C)C2 10060945 HDWIPSXOTPOEQC-JTQLQIEISA-N 397.949 4.946 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)c(C)c1 10225052 BVPUAVFJEXFUNF-GOSISDBHSA-N 375.516 4.991 0 40 GJAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)Nc1ccc(F)c(Cl)c1 11865822 IVVPCNJBFLLENI-MRXNPFEDSA-N 378.856 4.754 0 40 GJAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccccc2Cl)cs1 12587752 BNRLLZGVJUMKGL-UHFFFAOYSA-N 383.904 4.773 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(F)cc2F)N1c1ccc2c(c1)OCCO2 12631830 JPOMWXPSHCQSKJ-NRFANRHFSA-N 394.377 4.507 0 40 GJAB C[C@@H](SCc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc2c(c1)CCC2 12791675 HVPIGJYONFAVGZ-MRXNPFEDSA-N 377.513 4.621 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1ccccc1Cl 12878908 UBUKFRIYHNKDQJ-UHFFFAOYSA-N 388.876 4.827 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccccc2Cl)C1 14495750 PGQXNTUZWXGWKE-JTQLQIEISA-N 383.662 4.638 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 16643952 GDCJZHMXOPJPKO-UHFFFAOYSA-N 390.468 4.606 0 40 GJAB COCc1c(C(=O)Nc2nnc(-c3ccccc3)s2)sc2cccc(F)c12 17369977 YSARGMQBNBPNFC-UHFFFAOYSA-N 399.472 4.958 0 40 GJAB O=C(O/C(=C1/CCCC[C@@H]1N1CCOCC1)c1ccccc1)c1ccccc1 19897751 FTUJSFRVSGWROP-VFJWVMJUSA-N 377.484 4.530 0 40 GJAB Fc1ccccc1Cc1nnc2sc(-c3ccccc3C(F)(F)F)nn12 19910088 DOVBFNDCOMCYAU-UHFFFAOYSA-N 378.354 4.602 0 40 GJAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)o1 21545379 QTSZFEBIFYHAIE-UHFFFAOYSA-N 389.864 4.520 0 40 GJAB Cc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c2c1[C@@H](C)CC2=O 22322156 XQMKMLJAUACYTG-GJZGRUSLSA-N 377.440 4.687 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1Cl 22535145 JZQOJUWMKJDHSW-IBGZPJMESA-N 389.879 4.930 0 40 GJAB C[C@H](c1ccccc1)N1CCN([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 22914321 CUXKYTFOCYWFKB-IAGOWNOFSA-N 396.922 4.830 0 40 GJAB CCOc1cccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1 27747231 ZKCVKRMKWNBQNE-UHFFFAOYSA-N 387.233 4.755 0 40 GJAB Cc1ccc(-n2c(S[C@H]3CCCCCC3=O)nc3ccccc3c2=O)cc1F 29394302 QTZHUIUTZYYJSG-FQEVSTJZSA-N 396.487 4.827 0 40 GJAB CC(=O)COc1ccc2cc(-c3csc(-c4ccccc4)n3)c(=O)oc2c1 32072352 DJKKHMVBGGMZTL-UHFFFAOYSA-N 377.421 4.551 0 40 GJAB CC(C)Oc1cccc(C(=O)NCc2ccc(-c3nc4cnccc4o3)cc2)c1 32100811 GTYLCFPOJKBKBV-UHFFFAOYSA-N 387.439 4.607 0 40 GJAB CCc1ccc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1 33064121 CAMSEJCDKOVLSS-UHFFFAOYSA-N 380.513 4.579 0 40 GJAB CNC(=O)c1ccc(CN(C)C(=O)Nc2ccccc2Oc2ccccc2)cc1 40099096 BAFWVQHBGQPXIQ-UHFFFAOYSA-N 389.455 4.502 0 40 GJAB Cc1csc(N(C(=O)c2sc(-c3ncccn3)nc2C)c2ccccc2)n1 40146523 VILSIKKGMFYJLR-UHFFFAOYSA-N 393.497 4.652 0 40 GJAB ClC(Cl)=C1N=C(c2ccc(Cl)cc2)NCc2nc3ccccc3n21 41097506 GIBTVJFUQFWRPE-UHFFFAOYSA-N 377.662 4.801 0 40 GJAB Cc1ccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc45)[nH]n3)CC2)cc1 44838868 KBOAJVSGEUKKFC-UHFFFAOYSA-N 396.494 4.501 0 40 GJAB O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44921663 BIZURPWINFCHQI-OAQYLSRUSA-N 380.532 4.540 0 40 GJAB CC(C)(C)[C@H](NC(=O)Nc1ccc(CN2CCOC2=O)cc1)c1cccs1 48234859 WBIICGIPGYHLCF-QGZVFWFLSA-N 387.505 4.609 0 40 GJAB Cc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c(C)n1Cc1ccco1 53281580 UYCDFYDCWHLVJD-UHFFFAOYSA-N 378.259 4.888 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1ccc(Cl)cc1)CO2 57120792 OANLOIJLKWXYBA-UHFFFAOYSA-N 381.859 4.596 0 40 GJAB Cc1nc(-c2cc(C)n(CC(=O)NC3(c4ccc(F)cc4)CCC3)c2C)cs1 63338505 GKXPPJQSVHWISD-UHFFFAOYSA-N 397.519 4.872 0 40 GJAB Cc1cc(F)ccc1NC(=O)CSc1ncnc2c(-c3ccccc3)c[nH]c12 71328123 CECRZHJBOZWPDM-UHFFFAOYSA-N 392.459 4.803 0 40 GJAB C[C@@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)Cc1cnn(-c2ccccc2)c1 72295519 JXCYJIRNVKSOAB-IBGZPJMESA-N 396.494 4.696 0 40 GJAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72348989 AXPFYJFFYQVUNY-FQEVSTJZSA-N 386.495 4.706 0 40 GJAB Cc1ccc(Nc2nccc([C@@H]3CCCN3C(=O)c3ccc(Cl)cc3)n2)nc1 72377538 RDDCNWLMPVJTRC-SFHVURJKSA-N 393.878 4.554 0 40 GJAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1nnc(C2CCCC2)s1 72405875 AACVMXBVGGALQR-UHFFFAOYSA-N 388.493 4.640 0 40 GJAB CC[C@](C)(NC(=O)Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 78796969 PICYAWMYURHXCJ-QHCPKHFHSA-N 379.504 4.646 0 40 GJAB O=C(Nc1ccc2ccccc2n1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 95951167 OKZBHFOYLMBCFD-UHFFFAOYSA-N 384.317 4.556 0 40 GJAB O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 100174029 HLFOSOYWPOZMAE-HJGBXLFDSA-N 385.935 4.864 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 113936608 CSPUGVQNCNDSAL-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1cc(C)cc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1 223946418 NYVFWBYURZCSCF-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1cc(C)cc(C)c1 224092178 QINNKQMWADLSIG-QFIPXVFZSA-N 377.484 4.809 0 40 GJAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1Cl 224132264 LIHLWFWKVZGXHI-UHFFFAOYSA-N 395.886 4.900 0 40 GJAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)c1 224297097 OUALYNWRBXWHJJ-FCHUYYIVSA-N 390.556 4.831 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)C1 224921968 YSLCALKXZBEOBL-IBGZPJMESA-N 377.532 4.771 0 40 GJAB CCOc1cccc(NC(=S)NCCSCc2ccccc2Cl)c1 225296757 SODSQIGZGVSOKY-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB O=C(NCc1ccccc1)c1ccccc1NC(=S)Nc1ccc(F)cc1 225457869 DFCFGRCCEOENJD-UHFFFAOYSA-N 379.460 4.565 0 40 GJAB COC(=O)c1cc(NC(=S)NCCCc2ccc(Cl)cc2)ccc1Cl 225544500 MFBNKUSMLIOSIJ-UHFFFAOYSA-N 397.327 4.699 0 40 GJAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C(=O)OC 225678104 IIAYTAIRZZDASE-UHFFFAOYSA-N 381.472 4.631 0 40 GJAB Cc1cc(-c2cnc(C3CC3)nc2[C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)on1 257255893 KJIOEJJMAVYUDK-WKILWMFISA-N 396.535 4.754 0 40 GJAB COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2)c1 257269076 MOLXPTYORURROM-QGZVFWFLSA-N 381.520 4.894 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1nc2ccc(F)cc2s1 408628948 YNYNTKADHAOQDL-FPYGCLRLSA-N 391.880 4.615 0 40 GJAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2c(C)[nH]c3ccccc23)S1 408801118 TXSMFSPPNDYUCX-UHFFFAOYSA-N 378.477 4.556 0 40 GJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21)c1ccccc1 409373802 YVDUQCOOQMZPBF-VURPSTOHSA-N 375.855 4.735 0 40 GJAB Fc1cc2ncnc(Oc3ccc(-n4cccn4)cc3)c2cc1Br 547285433 VQMCOMDPMRYNBW-UHFFFAOYSA-N 385.196 4.509 0 40 GJAB CCCCOc1ccc(NC(=O)NCc2nccnc2-c2ccsc2)cc1 575618060 DKBZEXGLCOPPDR-UHFFFAOYSA-N 382.489 4.706 0 40 GJAB Cc1cccc(OCc2nn3c(CSCc4ccccc4)nnc3s2)c1 1501039891 IHPORHFHFSQKFI-UHFFFAOYSA-N 382.514 4.507 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)c1ccccc1I 716878 MXIWDHHACZJRHD-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CC[C@@H](CC)C2 879588 DCQGYUIOPWSFAW-LLVKDONJSA-N 392.908 4.740 0 40 GJAB CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl 1300591 FGIISVWZYARSQD-HXUWFJFHSA-N 393.874 4.985 0 40 GJAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)Nc1ccccc1OC 2289737 NXOLKCHHWLXPIQ-UHFFFAOYSA-N 387.823 4.651 0 40 GJAB COCCN(CCOC)P1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3212491 OIBJDWDKPGHHTJ-UHFFFAOYSA-N 399.427 4.887 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C)cc2)sc2c1CCCC2 3284080 FRYUEHRURYZFRU-AWEZNQCLSA-N 387.501 4.518 0 40 GJAB CCc1cccc2c(C(=O)[C@H](Sc3nnc(N)s3)c3ccccc3)c[nH]c12 3352826 IJIHCQVCCUMBGJ-GOSISDBHSA-N 394.525 4.880 0 40 GJAB CC(=O)c1cccc(NC(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)c1 4355622 IIZVNUGEPVXWTL-UHFFFAOYSA-N 397.887 4.730 0 40 GJAB COc1ccc(NC(=O)CSC2=NC3(CCCC3)Nc3ccccc32)cc1 4372231 GQUWLLVTOFJESL-UHFFFAOYSA-N 381.501 4.510 0 40 GJAB CC(C)(C)OC(=O)COc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 4586242 OFLRIZGWCCBHBW-UHFFFAOYSA-N 392.407 4.927 0 40 GJAB biogenic C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)N1CCCC1 4830434 GTZVGGLTVOCKFL-INIZCTEOSA-N 377.513 4.847 0 40 GJAB COc1ccc(CC(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)cc1 5083715 BAGFKGPDDIMKOZ-UHFFFAOYSA-N 377.469 4.561 0 40 GJAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cs2)cc1 5971692 FIRXDEPAXUJWRX-CYBMUJFWSA-N 397.525 4.888 0 40 GJAB CN(Cc1cccs1)C(=O)c1cc(Br)c(Br)s1 6849905 CZQCSKLQUGKLJO-UHFFFAOYSA-N 395.141 4.607 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2cc(=O)oc3cc(C)c(C)cc23)c(OC)c1 7740792 NTLMGFMWYHPHCF-OAQYLSRUSA-N 393.483 4.764 0 40 GJAB CS(=O)(=O)c1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 8025828 ZKKRXOCQRRXGIY-UHFFFAOYSA-N 398.431 4.976 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2)cc1OCCC 9195034 NDRIAMBEQYQVOR-UHFFFAOYSA-N 381.432 4.567 0 40 GJAB COc1cc(CN(C)C(=O)N[C@H](c2ccccc2)C2CC2)ccc1OC(F)F 9876968 RCAGVUJWFVIAKM-LJQANCHMSA-N 390.430 4.589 0 40 GJAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ccc(F)cc1 12903321 MGHFWEPRCQDZSN-UHFFFAOYSA-N 390.867 4.753 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccoc2)C1 13002416 FJRVZIRZRBUWOI-KRWDZBQOSA-N 390.439 4.563 0 40 GJAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4cccnc4)cc3c2C)cc1 15729458 JNUPUFPFDGYTJR-UHFFFAOYSA-N 386.407 4.628 0 40 GJAB COc1cc2c(c(OC)c1)[C@H](c1cccc(Oc3ccccc3)c1)CC(=O)N2 17076773 CXXKAPCZEPXXRY-IBGZPJMESA-N 375.424 4.970 0 40 GJAB Cc1noc2nc([C@H]3CCCN(C(=O)c4ccccc4F)C3)cc(C(F)F)c12 19564156 UBHCDHNAAAOOQG-LBPRGKRZSA-N 389.377 4.628 0 40 GJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(OC)c3)sc2c1 20411414 UWDZHFPETSFWOA-UHFFFAOYSA-N 384.457 4.514 0 40 GJAB COC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2c1 20412341 USSXYUOPVQNRGX-IZZDOVSWSA-N 380.469 4.858 0 40 GJAB CN(C)C(=O)c1cccc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c1 22518272 YQDLCDSFKRJGCS-INIZCTEOSA-N 384.545 4.853 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 22523947 JPBYSDHHPIQSHA-YADHBBJMSA-N 385.504 4.765 0 40 GJAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cc2c(Cl)cccc2[nH]1 24768775 IPFSHQDBQDFNLI-UHFFFAOYSA-N 379.803 4.919 0 40 GJAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)Nc1ccccc1 28225099 WFXVTAZEMBJVQE-UHFFFAOYSA-N 399.292 4.955 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccccc2)cc(C)c1Cl 28291063 MTRNKMMNBQXHDO-INIZCTEOSA-N 383.879 4.608 0 40 GJAB C[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1c(F)cccc1F 28368270 QKQARVHOHVWEOE-ZDUSSCGKSA-N 388.414 4.836 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccn(Cc2cccc3ccccc23)n1 32609604 QAAXJMPPHBBVOO-UHFFFAOYSA-N 391.858 4.999 0 40 GJAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2sc(C)nc2C)o1 32905931 KUCMCTKOFWQOMD-UHFFFAOYSA-N 389.502 4.704 0 40 GJAB Cc1ccccc1[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1 44937746 ZDUIOJDFDAFESW-DEOSSOPVSA-N 381.479 4.759 0 40 GJAB CC(C)c1nn(CN(Cc2ccccc2)C[C@H]2CCCO2)c(=S)n1C1CC1 57991465 BRAOAVWNALLYBT-LJQANCHMSA-N 386.565 4.511 0 40 GJAB Cc1ccc(-c2csc(NC(=O)[C@H](OC[C@H]3CCCO3)C(C)C)n2)cc1C 58014516 AWHSEVQBKSHSTG-IEBWSBKVSA-N 388.533 4.586 0 40 GJAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 58053520 BCCATKDSISHFAC-KRWDZBQOSA-N 392.286 4.937 0 40 GJAB Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)c3ccccc3)CC2)c1 72265271 MEPXYEIDZPXDBP-RUZDIDTESA-N 384.523 4.851 0 40 GJAB COc1ccc2ccccc2c1Cc1cc(-c2ccc(Cl)cc2)n[nH]c1=O 79484086 DAHBJXDFIFZERV-UHFFFAOYSA-N 376.843 4.843 0 40 GJAB Cc1cn2c(CCC(=O)N3CCC(c4c[nH]c5ccccc45)CC3)csc2n1 84257737 YLEGWCPKFNAUAI-UHFFFAOYSA-N 392.528 4.524 0 40 GJAB C[C@H](NCc1ccccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 89552985 CBXQXFFFROYLAP-KRWDZBQOSA-N 378.447 4.522 0 40 GJAB Cc1cccc(OC(F)F)c1NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 89688832 XKTZSLLUCPKTJS-OAHLLOKOSA-N 396.821 4.935 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cnn(C4CCOCC4)c3C)n2)cc1C 95980828 OMTLFJUCWGBUSY-UHFFFAOYSA-N 396.516 4.536 0 40 GJAB CC(C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 97105885 LUWMCMYRQVFJHX-INIZCTEOSA-N 375.266 4.766 0 40 GJAB CCOc1ccccc1[C@@H]1C2=C(O)C[C@@H](c3ccccc3)CC2=Nc2ncnn21 102591650 JPURMFOAEPRBKD-KSFYIVLOSA-N 386.455 4.742 0 40 GJAB CC[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(OC)c(OC)c1 218926575 AKULXEOXLVEHBM-KRWDZBQOSA-N 391.895 4.620 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 222845888 ZFQCNXVCKIHBTN-OAHLLOKOSA-N 388.895 4.584 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2cccc3c2CCCC3)cc1 224916155 PGTYCZMSLZMSNK-JOCHJYFZSA-N 381.516 4.856 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C 225215875 FYDQCIAVGYPXRP-UHFFFAOYSA-N 388.467 4.576 0 40 GJAB COc1ccccc1CN1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 306143765 YLPVDBCYBDUFHH-NRFANRHFSA-N 384.483 4.742 0 40 GJAB COC(=O)c1ccc(NC(=O)CCC(=O)c2ccc3cc(C)ccc3c2)cc1 408830717 PUCMMHZZAOPVGX-UHFFFAOYSA-N 375.424 4.536 0 40 GJAB CCc1ccccc1NCc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 409113969 OZYIPBRDFQBFKB-UHFFFAOYSA-N 381.497 4.937 0 40 GJAB COc1ccc(CCCN(C)C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 519223697 PDHNRCINJSOUTJ-UHFFFAOYSA-N 391.471 4.979 0 40 GJAB COc1cnc2ccccc2c1C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C 573138359 OMNXESPEJSOZFS-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCO[C@H](c2ccncc2)C1 580040438 MORCUTVXZXKJMC-BBRMVZONSA-N 399.800 4.796 0 40 GJAB O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCCCCC1 865740 JVXSJKRVJYVZSO-DOMZBBRYSA-N 398.454 4.621 0 40 GJAB CCOC(=O)c1[nH]c(-c2ccc(OC)cc2)c(C(=O)OCC)c1-c1ccccc1 1596876 PTUWPYVQUMPITO-UHFFFAOYSA-N 393.439 4.711 0 40 GJAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccccc2)n1CC 2625946 DAMQHQXOTKWUPB-UHFFFAOYSA-N 381.501 4.859 0 40 GJAB CCn1c(S[C@@H](C)C(=O)NCCC2=CCCCC2)nnc1-c1cccs1 3391677 QYXBZSQNLAINDB-AWEZNQCLSA-N 390.578 4.514 0 40 GJAB CC[C@H](CO)Nc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12 3434556 OCSHRTLQNZNXBK-QGZVFWFLSA-N 396.560 4.527 0 40 GJAB CNC(=O)c1ccsc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 4281762 IAUOPCHQKQEFFK-UHFFFAOYSA-N 387.464 4.575 0 40 GJAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(O)cc1 4356685 CYSQSVAGOLJPOX-MOUTVQLLSA-N 395.458 4.635 0 40 GJAB CCCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccoc1C 4860399 AVMDQPCVTWDXCG-UHFFFAOYSA-N 384.505 4.686 0 40 GJAB CCN(CC)CCCNc1c(C)c(C)nc2cc(-c3ccc(Cl)cc3)nn12 4980187 REEUMBDFHUNRQP-UHFFFAOYSA-N 385.943 4.810 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12 5008292 SNUGUHOHUVVBAT-UHFFFAOYSA-N 396.903 4.884 0 40 GJAB Brc1ccccc1CSc1nnc(-c2ccc3c(c2)OCO3)o1 5018904 NUDFZTDMOUMTME-UHFFFAOYSA-N 391.246 4.520 0 40 GJAB CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)ccc1OC 6380839 LEPVIMMOEWKQJP-UHFFFAOYSA-N 384.501 4.718 0 40 GJAB Clc1ccc2nc(CSc3nnc(NCc4ccccc4)s3)cn2c1 6567028 BOZBBGJVAGIUEC-UHFFFAOYSA-N 387.921 4.744 0 40 GJAB Cc1ccc2cc(CSc3nnc(-c4cccnc4)n3C)c(Cl)nc2c1C 6610501 AOBLYACCZFOPNZ-UHFFFAOYSA-N 395.919 4.988 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3cc(C)cc(C)c3)o2)c1C 7854008 CUJXKKCEGHFQPI-HNNXBMFYSA-N 397.500 4.864 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 7882024 UNMUDLDGTUWUQA-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1c(F)cccc1Cl 8051171 FZGMIKBTZWWEEN-QGZVFWFLSA-N 399.890 4.825 0 40 GJAB COC(=O)c1cc(NC(=O)CSCc2ccccc2Cl)ccc1Cl 8092196 ACLKPKGITAPWPI-UHFFFAOYSA-N 384.284 4.652 0 40 GJAB C[C@H](c1nnc(SCc2ccccc2Cl)n1-c1ccc(F)cc1)N(C)C 8193251 UDAGRLBVRDGSTN-CYBMUJFWSA-N 390.915 4.975 0 40 GJAB Cc1cc(/C=N/c2cc(C(=O)O)ccc2Cl)c(C)n1NC(=O)c1ccccc1 8334570 VZMMTCAOXAQPRM-FSJBWODESA-N 395.846 4.591 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 8434283 UVIOQQKXVNRIDC-IAGOWNOFSA-N 396.874 4.580 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2cc(C)n(C3CC3)c2C)c1 8940202 USEJWMMJAXLMRD-JNKLARPZSA-N 394.515 4.834 0 40 GJAB COc1ccc(CNc2nc(-c3cccs3)nc3ccccc23)cc1OC 8985460 OHKZYEBEFLRAHB-UHFFFAOYSA-N 377.469 4.988 0 40 GJAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1ccc(Cl)cc1 9198067 LBLPFKSDIALPAR-UHFFFAOYSA-N 379.272 4.509 0 40 GJAB CC(=O)N1CCC(C(=O)Nc2nc(-c3sc4ccccc4c3C)cs2)CC1 12005357 NIYDMBINCAHWAP-UHFFFAOYSA-N 399.541 4.530 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC[C@H](C)C2)cc1 12437889 UIDJGTQHBRGYBH-KRWDZBQOSA-N 380.513 4.612 0 40 GJAB Cc1ccc(N2C(=O)/C(=C/Nc3cc(O)ccc3C)c3ccccc3C2=O)cc1C 12651796 DDBDOWQBZWMGCV-HYARGMPZSA-N 398.462 4.957 0 40 GJAB Cc1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c(F)c1 12849930 XRALZRLEIPEGKY-UHFFFAOYSA-N 390.458 4.778 0 40 GJAB Cc1cc(NC(=O)c2cc(C3CC3)nc3ccccc23)ccc1N1CCCC1=O 12893920 ABZXPSRWVRIESX-UHFFFAOYSA-N 385.467 4.800 0 40 GJAB COc1cccc(-c2nc(C(=O)N(Cc3ccccc3)C3CC3)cs2)c1OC 12978994 AWQOTHAUDFNWIK-UHFFFAOYSA-N 394.496 4.632 0 40 GJAB CC(C)Cc1ccc([C@H](C)NC(=O)Cc2csc(-c3ccccn3)n2)cc1 12981523 WLVCMSTVAUZYKA-INIZCTEOSA-N 379.529 4.824 0 40 GJAB CC[C@H](CNC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccccc1 12985039 FUCTVYRWJGHMKB-MRXNPFEDSA-N 378.497 4.924 0 40 GJAB Cc1ccccc1[C@H](C)NC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 13007127 UBSCROCAWRCRGZ-HTAPYJJXSA-N 382.504 4.914 0 40 GJAB COc1ccccc1C(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 13551409 QHIBSDJZQHPYGR-UHFFFAOYSA-N 394.283 4.697 0 40 GJAB FC(F)(F)c1cc(-c2ccco2)nc2cc(-c3nc(-c4ccccc4)no3)nn12 13644797 XWMMVVLXTFEBSU-UHFFFAOYSA-N 397.316 4.725 0 40 GJAB NC(=O)c1c(NC(=O)CCCSc2ccc(Cl)cc2)sc2c1CCC2 15822887 NRQUWWIFDCCJPO-UHFFFAOYSA-N 394.949 4.500 0 40 GJAB CC(C)(C)c1ccccc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 15931485 KNQSPJUMWSJFMR-WDXRGRCHSA-N 378.520 4.510 0 40 GJAB CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC[C@@H](C)C3)c(O)n2n1 16690028 SRUCLAWPDCBJCA-WBMJQRKESA-N 390.940 4.534 0 40 GJAB O=C(/C=C/c1ccccc1)N(C(=O)/C=C/c1ccccc1)C(=O)c1ccccc1 16953632 LBJMEPDITUKEKV-YWNVXTCZSA-N 381.431 4.609 0 40 GJAB CCOc1ccc(N2CCn3c(SCc4ccccc4Cl)nnc32)cc1 17307800 TZQZZSQZMOVKAB-UHFFFAOYSA-N 386.908 4.774 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20137164 DETUPAYHMZVIQV-UHFFFAOYSA-N 376.239 4.927 0 40 GJAB COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1-c1ccc(CO)o1 20145072 UFRWRGGKBCFHBH-NYYWCZLTSA-N 383.831 4.753 0 40 GJAB O=C(Nc1ccccc1Br)c1cccnc1NCc1ccccc1 22072656 PMKHVFOBQDGGNC-UHFFFAOYSA-N 382.261 4.709 0 40 GJAB O=C(Nc1ccccc1Oc1ccccc1)c1cn2c3c(cccc3c1=O)CCC2 22235493 LDSZDCHPWSTPOH-UHFFFAOYSA-N 396.446 4.992 0 40 GJAB C[C@@H](NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccccc1 32578746 AWIVBDMKQRKVRW-QGZVFWFLSA-N 399.450 4.660 0 40 GJAB COc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(C)c2C)c2ccccc2)c1 32838843 ATYWVOQBQMJVAL-QFIPXVFZSA-N 389.451 4.849 0 40 GJAB Cc1nn(C)c(Cl)c1C(=O)Oc1ccc2cc(Br)ccc2c1 32878742 JYMGBHLGGQSUOZ-UHFFFAOYSA-N 379.641 4.517 0 40 GJAB Cc1ccc(C(=O)[C@H](C)Sc2nccn(-c3ccc(Cl)cc3)c2=O)cc1C 33039801 RIROHXCCJLAVRH-HNNXBMFYSA-N 398.915 4.866 0 40 GJAB Oc1nnc(SCc2c(F)cccc2Cl)n2nc(-c3cccs3)cc12 38653961 SRHOPCFBAWKASR-UHFFFAOYSA-N 392.868 4.643 0 40 GJAB O=C(CCOc1ccc2ccccc2c1)Nc1cccc(NC(=O)NC2CC2)c1 40092757 VCFUPLHHZZOPJD-UHFFFAOYSA-N 389.455 4.531 0 40 GJAB O=C(CCCSc1nnc(C2CC2)n1Cc1ccco1)c1ccc(F)cc1 40159152 GGKQXKUHRMIISV-UHFFFAOYSA-N 385.464 4.691 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cc4c(cc3Cl)OCCO4)n2)cc1 41126563 KBIDQWWEUNLVFE-UHFFFAOYSA-N 386.860 4.795 0 40 GJAB Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)N2CCOCC2)cc1 41154816 CEFWIKRFJJGNQN-UHFFFAOYSA-N 394.496 4.582 0 40 GJAB Cc1cccc2sc(OC3CCN(C(=O)c4cccc(Cl)c4)CC3)nc12 49431591 NNHOJDQDEJFETH-UHFFFAOYSA-N 386.904 4.942 0 40 GJAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(-c2ncc[nH]2)cc1 58246318 UBMTYRSRCOADRV-UHFFFAOYSA-N 387.439 4.719 0 40 GJAB Cc1ccc(F)cc1/N=c1\oc2ccccc2cc1C(=O)NCc1ccco1 67295540 DONDDODAZGMEAS-LVWGJNHUSA-N 376.387 4.636 0 40 GJAB Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccc(OC(C)C)cc1 71326740 ZRCPAALJUQTMAK-UHFFFAOYSA-N 387.549 4.913 0 40 GJAB O=C(CCOc1ccccc1)N1CCC[C@@H]1c1n[nH]cc1-c1cccc(Cl)c1 72380403 WFRFNVHXXPQIJP-HXUWFJFHSA-N 395.890 4.863 0 40 GJAB O=C(Nc1cc(Br)ccc1NC1CC1)c1cccc2cccnc12 78968547 CKKWVEYYWURPJA-UHFFFAOYSA-N 382.261 4.824 0 40 GJAB CCCCN(C)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1-c1ncccn1 96062684 ZKWYNRBUUZXMQP-UHFFFAOYSA-N 389.503 4.828 0 40 GJAB CCOC(=O)c1ccc2nc(C)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 100276557 SXKHQFSIQGLBMT-BXKMTCNYSA-N 396.531 4.826 0 40 GJAB O=C(NCc1ccc(C(=O)c2ccsc2)s1)Nc1c(F)cccc1F 211085212 ZOCDPSUENYSTGX-UHFFFAOYSA-N 378.425 4.641 0 40 GJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCc3ccccc32)cc1 216450801 ZNJNQHHCBOBVSS-UHFFFAOYSA-N 386.539 4.948 0 40 GJAB O=C(NCc1ccc(Cl)cc1)N1CCS[C@@H](c2ccccc2F)CC1 219141622 BNLDDKWOPNELOI-GOSISDBHSA-N 378.900 4.869 0 40 GJAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223061388 QQFWGGCZBRHGNG-QHCPKHFHSA-N 394.559 4.589 0 40 GJAB O=C(Nc1ccccc1Oc1ccccc1)c1cn2c3c(cccc3c1=O)CC2 223093404 XVFBYOQKPKDPHW-UHFFFAOYSA-N 382.419 4.602 0 40 GJAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224390647 WYYIJOOHCBIOOB-WOJBJXKFSA-N 380.492 4.780 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224395558 AAXHKFVKFYUOHS-WOJBJXKFSA-N 394.519 4.954 0 40 GJAB COc1ccc(CCC(=O)NCCSCc2c(F)cccc2Cl)cc1C 225143288 PEISMXQKZJDITR-UHFFFAOYSA-N 395.927 4.778 0 40 GJAB C[C@H](O)c1ccc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)s1 225687707 CHHOXXPIBOABLA-AWEZNQCLSA-N 377.937 4.626 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(SCC(C)C)s1 225784936 NQHGZEBKEHKPDS-CQSZACIVSA-N 379.551 4.699 0 40 GJAB CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C(=O)OCC 225831848 VTIAEJBMRBICAR-AOMKIAJQSA-N 391.508 4.576 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1ccccc1Nc1nc(C)cc(C)n1 225917962 VTFRJKXXCROHIH-UHFFFAOYSA-N 382.851 4.751 0 40 GJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C4=CC[C@H](C5=CC(=O)OC5)[C@@]4(C)CC[C@H]32)C1 256546259 CKFRUFAILBIDGU-HJJQXARVSA-N 398.543 4.980 0 40 GJAB CCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1CC 408561000 UBDMPABBBSVONH-UHFFFAOYSA-N 387.336 4.678 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 408702386 FGMJEGBNJSRGPN-QGZVFWFLSA-N 396.531 4.776 0 40 GJAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc5c(c4)OCO5)C(=O)O3)sc2c1 408839310 QMEFWANQIQDNGZ-NTUHNPAUSA-N 397.839 4.936 0 40 GJAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1ccc(Cl)cc1 409242681 SDQSXNKYVKPHON-UHFFFAOYSA-N 388.920 4.519 0 40 GJAB FC(F)(F)c1cccc([C@H](NCc2ccc3c[nH]nc3c2)C2CCOCC2)c1 560067737 ZIWWPQGQHSTKDT-HXUWFJFHSA-N 389.421 4.839 0 40 GJAB Cc1cc(C)cc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@H]3C2=O)c1 637590 CHQURUJKEPAPBM-AYIBLLACSA-N 393.486 4.874 0 40 GJAB Cc1ccc2cc(CN(C(=O)NC3CCCCC3)C3CCCC3)c(=O)[nH]c2c1C 880542 QCOYNCHSAWDAAT-UHFFFAOYSA-N 395.547 4.932 0 40 GJAB Cc1ccc(-c2cc3nccc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n3n2)cc1 1238255 CPNORLQPCAVFML-GOSISDBHSA-N 392.503 4.819 0 40 GJAB O=C(O)[C@H](C(=O)c1ccccc1)[C@H](c1ccccc1)c1nccc2ccccc12 1718224 CAMIDTHISYSANX-VXKWHMMOSA-N 381.431 4.950 0 40 GJAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(C(C)=O)cc2)cc1 2210345 SXTFCLFTFHMAQO-UHFFFAOYSA-N 394.434 4.847 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)[C@@](O)(c1ccccc1)C1CCCC1 2417415 RSDVNCBWVJXYCX-AREMUKBSSA-N 385.507 4.970 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)[C@](O)(c1ccccc1)C1CCCC1 2417416 RSDVNCBWVJXYCX-SANMLTNESA-N 385.507 4.970 0 40 GJAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1nc(-c2ccccc2)cs1 2646962 ZHQVRUCPTPMBLG-CYBMUJFWSA-N 398.509 4.701 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nccn1-c1cc(C)cc(C)c1 2723111 QGVUMZLSPTVTQZ-UHFFFAOYSA-N 381.501 4.619 0 40 GJAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2cccc(Br)c2)cc1 3217675 VHKGNYJFACQIML-UHFFFAOYSA-N 390.277 4.542 0 40 GJAB Cc1ccc(N2C(=O)N(CC(=O)c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]2C)cc1 3353197 JKRQYYIRWSCQQF-SFHVURJKSA-N 398.462 4.702 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1c(F)cccc1Cl 4305140 YUTULEYJOSCVLO-GOSISDBHSA-N 384.838 4.606 0 40 GJAB Cc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)cc1C 4518160 ALNOCVBDBLOKQI-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1 4828849 VHXQCBDSNBJIGN-UPVQGACJSA-N 386.451 4.946 0 40 GJAB COc1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)s2)cc1 5001294 BQKWTANXDIMVAE-UHFFFAOYSA-N 384.526 4.782 0 40 GJAB Cc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(F)c2)cc1 5223408 ZACDYXRGXFCTGE-UHFFFAOYSA-N 393.466 4.691 0 40 GJAB O=C(COC(=O)c1ccccc1OC(F)F)Nc1ccccc1-c1ccccc1 5291092 HFOBNNHGEIWOKM-UHFFFAOYSA-N 397.377 4.751 0 40 GJAB O=C(NC[C@@H]1CCCO1)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5487206 VIHPEDDLSVUTHX-RBUKOAKNSA-N 390.310 4.595 0 40 GJAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccccc1C(C)C)C(C)C 6778580 NSSZYKGVYNJTIT-NRFANRHFSA-N 382.504 4.602 0 40 GJAB O=C(COCc1nc2ccccc2s1)NC(c1ccccc1)c1ccccc1 6789330 HRMKOXIOFCNZEI-UHFFFAOYSA-N 388.492 4.719 0 40 GJAB COc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c(OC)c1 6789353 NBKZHIYNZNXXMF-UHFFFAOYSA-N 388.876 4.662 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 6860282 QESBZOZSRFHTPQ-UHFFFAOYSA-N 375.906 4.693 0 40 GJAB O=C([C@H]1COc2ccccc2O1)N(c1ccccc1)c1nc2ccccc2s1 7271243 IQSLOAMUKKQTQJ-LJQANCHMSA-N 388.448 4.801 0 40 GJAB COc1ccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1Cl 8135245 DFZWPNMHOGFMKX-UHFFFAOYSA-N 388.876 4.945 0 40 GJAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(Br)o2)S1 8277597 HJKXMWAQIGTNHE-KPKJPENVSA-N 397.681 4.896 0 40 GJAB Cc1cccc2c(C(=O)NC[C@H]3CCCO3)cc(-c3ccc(Cl)cc3)nc12 8471979 RQGXPNGHLJPSLC-QGZVFWFLSA-N 380.875 4.772 0 40 GJAB Clc1ccc(OCc2nc(CSc3nnc4ccccn34)cs2)cc1 8706026 HIBAVPUOUOWPLI-UHFFFAOYSA-N 388.905 4.711 0 40 GJAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 8958931 PJWDOJLUCHNKQZ-UHFFFAOYSA-N 380.488 4.717 0 40 GJAB CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C)c3)c3ccccn23)cc1 9316489 MUMMUUPNBOUMJO-UHFFFAOYSA-N 397.478 4.876 0 40 GJAB COc1ccc2c(C)c(CCC(=O)Oc3ccc(Cl)cc3C)c(=O)oc2c1 9513243 IRCFNRFNYRYRQS-UHFFFAOYSA-N 386.831 4.610 0 40 GJAB CC(C)(C)CC(C)(C)NC(=O)c1cc2cc(Br)ccc2oc1=O 11566394 KKRMKFIJTZOSJL-UHFFFAOYSA-N 380.282 4.500 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)cc1 11915060 GLJRSDNIISAUAY-UHFFFAOYSA-N 394.427 4.559 0 40 GJAB Cc1ccccc1Cn1c([C@H](C)NC(=O)COc2ccccc2)nc2ccccc21 12538713 KPYFNDSKZCXABF-IBGZPJMESA-N 399.494 4.649 0 40 GJAB Cc1c(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)oc2c(Cl)cccc12 12551866 GQFYSNQNIXHDBR-KRWDZBQOSA-N 397.837 4.787 0 40 GJAB CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12751085 UIWWAUKRISEVRV-HXUWFJFHSA-N 381.472 4.612 0 40 GJAB Cc1cc(C)cc(OCCN(C)CCC(=O)Nc2c(Cl)cccc2Cl)c1 12818170 OQJVCEOCCATIQG-UHFFFAOYSA-N 395.330 4.950 0 40 GJAB C[C@@H](c1ccccc1)N(C)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 12854012 SUDZVTPCNBAXPS-AWEZNQCLSA-N 393.487 4.984 0 40 GJAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OC(=O)c1ccccc1F 13096076 GYWRMXPBEFCZIH-SFQUDFHCSA-N 389.382 4.546 0 40 GJAB CC1(C)CC(N(Cc2ccncc2)Cc2cccc3ncccc23)CC(C)(C)N1 13992699 CMGZYQASHPZMOK-UHFFFAOYSA-N 388.559 4.941 0 40 GJAB CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(OC)cc3)n2)cc1 14609661 MEGNJVNFOIPPII-UHFFFAOYSA-N 398.466 4.758 0 40 GJAB CC(C)N(Cc1ccccc1)c1ncnc2c1cnn2-c1cccc(Cl)c1 17113375 WWZYDCFSRMSVPG-UHFFFAOYSA-N 377.879 4.884 0 40 GJAB Cc1noc(C)c1CC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 19580551 AEYCIMONEVGMMO-UHFFFAOYSA-N 396.299 4.827 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1OC 20043359 IXRYMAPFSGOUJM-FQEVSTJZSA-N 399.531 4.617 0 40 GJAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 20045914 SFNGFZYMPJAPRS-GFCCVEGCSA-N 388.316 4.573 0 40 GJAB Cc1cc(C(=O)Nc2cc(F)ccc2F)c2c(C)nn(-c3ccccc3)c2n1 20283096 CVGUMZXQRICEJL-UHFFFAOYSA-N 378.382 4.568 0 40 GJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)cc1 20412386 DQSRXXKIVJOPKS-GFCCVEGCSA-N 384.457 4.513 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)CCc2cc3ccccc3o2)cc1OC 25617110 HBZXCCGHAMTTIK-IBGZPJMESA-N 379.456 4.746 0 40 GJAB Cc1cn2c(/C=C/C(=O)N3CCCCC[C@@H]3c3cccn3C)c(C)nc2s1 25712387 AMBQSOUVSHVEKH-GNISGLHKSA-N 382.533 4.508 0 40 GJAB COc1ccc(-c2nsc(NC(=O)c3oc4ccc(F)cc4c3C)n2)cc1 27989368 SXVQZDTWLNEWNY-UHFFFAOYSA-N 383.404 4.660 0 40 GJAB COc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)cc1 28230888 IRTJLYWEGVLVMK-UHFFFAOYSA-N 387.842 4.602 0 40 GJAB O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1cc(Cl)ccc1F 32768593 FVQSTCWOSIBIBE-UHFFFAOYSA-N 378.812 4.502 0 40 GJAB COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(C(C)C)cc3)c(C)c2c1 32910486 WGMYWXXGMXNZJF-UHFFFAOYSA-N 381.428 4.669 0 40 GJAB CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C)nn(Cc3ccccc3)c2n1 36621624 NJJXMKORLZAJRX-QGZVFWFLSA-N 398.510 4.841 0 40 GJAB Cc1cc(NC(=O)c2sc(-c3ccccc3)nc2C)n(Cc2ccccc2)n1 40056933 UQGUNCKUEVWZRG-UHFFFAOYSA-N 388.496 4.924 0 40 GJAB COc1cc(OC)c2[nH]c(C(=O)N(C)[C@H](C)c3cc4ccccc4o3)cc2c1 48264085 SWGPRANVKZRCBH-CYBMUJFWSA-N 378.428 4.765 0 40 GJAB CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1CCC[C@@H]1c1ccsc1 58305031 FJRXLIOAIYSABX-CXAGYDPISA-N 382.485 4.861 0 40 GJAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(C2CC2)nn1C(C)(C)C 59038609 ZNSQKXRVXHNSNF-UHFFFAOYSA-N 379.426 4.807 0 40 GJAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N[C@@H]1CCc2ccccc21 71326754 MRJVCHRWKLVTNN-OAHLLOKOSA-N 384.892 4.661 0 40 GJAB Cc1cc(N2CCCCC2)ncc1[C@H]1CCCN1C(=O)OCc1ccccc1 72219216 PKZXVKVKPNZGGY-OAQYLSRUSA-N 379.504 4.854 0 40 GJAB COc1ccc(CN2CCC[C@@H](c3nccnc3-c3ccccc3OC)C2)cc1 72358399 CQKRFZKGDNERKT-LJQANCHMSA-N 389.499 4.540 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1nc(-c2cccs2)oc1C 84027038 JDNQCJQXFXZATN-ZDUSSCGKSA-N 394.452 4.929 0 40 GJAB CC(C)(C)OC(=O)N1CCCC[C@@]12CCCN(C(=O)OCc1ccccc1)C2 91302693 OHZOZEKHPDMFPL-QFIPXVFZSA-N 388.508 4.579 0 40 GJAB in-vitro CC[C@@H](c1ccc(F)cc1)N1CCC(c2c[nH]c3ccc(C(N)=O)cc23)CC1 95466733 HGMDWSZCHGWWOH-QFIPXVFZSA-N 379.479 4.737 0 40 GJAB CC(=O)Nc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)ccc1C 95949394 OZMWRGBIIWCPDG-UHFFFAOYSA-N 393.468 4.532 0 40 GJAB COc1ccc(Cc2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1 96194261 IQMYWPBTACIGGF-UHFFFAOYSA-N 376.441 4.507 0 40 GJAB c1csc(CNc2nc(NCc3ccc4c(c3)OCO4)nc3ccccc23)c1 96195130 SROPXIQLDGBCDT-UHFFFAOYSA-N 390.468 4.644 0 40 GJAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]21 100184622 XNVKQUIGVYDPJL-DPDCMNJDSA-N 381.781 4.617 0 40 GJAB COc1ccc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)cc1OC 102725233 QLAYCYWBXCOEAD-UHFFFAOYSA-N 393.468 4.594 0 40 GJAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N[C@H](c1ccc(F)cc1)c1cccs1 104744043 YCSUNQJJGMRZSS-QHOXVEKDSA-N 399.531 4.814 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)NCCSCc2ccccc2F)cc1 218931708 CVNIQKXWGVEYSX-UHFFFAOYSA-N 375.509 4.552 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222735057 DJRQQEMJUMBCHY-UZLBHIALSA-N 397.515 4.790 0 40 GJAB Cc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(C)c1 222764285 IGCSGDRILUXOQS-UHFFFAOYSA-N 393.921 4.585 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1cccc(OC(C)C)c1 222996189 SOFDCFMMAXJBHR-QHCPKHFHSA-N 383.532 4.997 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccccc1OC 223025603 JZMJFXQBYGOPRD-LJQANCHMSA-N 375.896 4.563 0 40 GJAB CCOCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OCC 224698386 GBYWWSFRAFAQIO-UHFFFAOYSA-N 381.516 4.717 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccc(C)cc1 225640428 CHJMEGKPMWNVST-FDDCHVKYSA-N 381.516 4.615 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccccc1Cl 225685506 WPTGKNLQXPNXJG-MRXNPFEDSA-N 376.909 4.937 0 40 GJAB O=C(NC[C@@H](O)c1csc2ccccc12)C(c1ccccc1)c1ccccc1 225693689 RGDVLHHMGJUPIP-OAQYLSRUSA-N 387.504 4.883 0 40 GJAB CCOCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C)n1 225866495 ZPSDCXGJVRWRGG-UHFFFAOYSA-N 396.531 4.954 0 40 GJAB Cc1cccc(C2(NC(=S)Nc3cccc(N4CCCC4=O)c3)CCCC2)c1 225870403 QSEOMRLTVJWSAR-UHFFFAOYSA-N 393.556 4.878 0 40 GJAB Cc1cc(C)nc(Nc2cccc(C(=O)NCc3cccc4ccccc34)c2)n1 225914377 CVXJWZDEHDAEBQ-UHFFFAOYSA-N 382.467 4.920 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(C)cc2)n1 408696981 DCMCTWLGMYBBFU-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)S2)cc1 408783949 QYNBQMGHSVVORR-CQYSBYMNSA-N 395.311 4.861 0 40 GJAB CCn1c(CN2CCC[C@@H](Cc3ccc(C)cc3)C2)nc2cc(C(=O)O)ccc21 565101779 XAEMXPJTFSQULL-IBGZPJMESA-N 391.515 4.518 0 40 GJAB CC(C)Sc1ccc(CC(=O)NCc2nccnc2-c2cccs2)cc1 575619310 CRKGSYLZYNJPEU-UHFFFAOYSA-N 383.542 4.565 0 40 GJAB CC(C)c1c(NC(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)cnn1-c1ccccc1 585101409 IFQIGXCCDPMVOT-RXVVDRJESA-N 396.535 4.809 0 40 GJAB CC(C)(C(=O)N1CCC[C@@H](C2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 1597236478 SKZGVCALRDMRHG-OAHLLOKOSA-N 384.347 4.936 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2c1 814036 DSQPMMRIZWPJLZ-UHFFFAOYSA-N 380.256 4.814 0 40 GJAB Cc1cc2c(c(SCc3ccccc3F)n1)C(=O)N(c1ccccc1C)C2=O 1405634 LOXONVAIFAOHFK-UHFFFAOYSA-N 392.455 4.930 0 40 GJAB Cc1nc(SCC(=O)N2c3ccccc3C[C@@H]2C)c2c3c(sc2n1)CCC3 3220328 PPIFFGFESOGYJO-LBPRGKRZSA-N 395.553 4.558 0 40 GJAB CC(C)c1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 3262163 OEUADCJNWYEOSV-UHFFFAOYSA-N 387.863 4.608 0 40 GJAB CC1=C(C(=O)O[C@H]2CCC[C@H]2C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C 4133535 ICEKADLMYDOOAN-TYFHEEPYSA-N 397.302 4.695 0 40 GJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)c1ccc2c(c1)OCCO2 4849337 UDSYCWKHOBELBQ-UHFFFAOYSA-N 395.480 4.552 0 40 GJAB Cc1cccc(NC(=O)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1C 4965477 DGCTUUMAOPWTPM-UHFFFAOYSA-N 385.895 4.839 0 40 GJAB Cc1cccc(CCNc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c1 5053562 YQTJEHJPDGKBDM-UHFFFAOYSA-N 397.950 4.785 0 40 GJAB Cn1c(NC(=O)c2ccco2)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 5244949 LFPNTBXYVPRPBV-UHFFFAOYSA-N 378.815 4.704 0 40 GJAB CSCCSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C 6023830 ZWJXKFUYWSLJHB-UHFFFAOYSA-N 376.934 4.803 0 40 GJAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cc2ccccc2o1 6479951 SJIKWUNEUBYDQU-UHFFFAOYSA-N 398.875 4.613 0 40 GJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C12CC3CC(CC(C3)C1)C2 6530415 GDBPGAKUAZEFED-UHFFFAOYSA-N 390.531 4.826 0 40 GJAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)c1ccc(F)c(F)c1 6559823 JSKQXUPROUVGOX-JTQLQIEISA-N 377.441 4.923 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 6988556 MAMUAINCAWHNOS-INIZCTEOSA-N 380.488 4.517 0 40 GJAB CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2cccc(C)c2)o1 11971630 HULVSAKINMDAIK-UHFFFAOYSA-N 391.500 4.540 0 40 GJAB CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2)n1 12221986 FVATWDKGRPKBCL-APWZRJJASA-N 386.499 4.601 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC[C@@H](C)C2)cc1 12437887 UIDJGTQHBRGYBH-QGZVFWFLSA-N 380.513 4.612 0 40 GJAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C 12539305 XVMCFMVJDWZZKO-JOCHJYFZSA-N 391.515 4.806 0 40 GJAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)c(F)c2)c(OC)c1 12632325 YEDHMVHLMZEFQR-NRFANRHFSA-N 396.393 4.753 0 40 GJAB O=C(CCn1ccc2cc(Br)ccc21)Nc1ccc2cc[nH]c2c1 12664621 HJPYQPTXJQXSOK-UHFFFAOYSA-N 382.261 4.914 0 40 GJAB biogenic CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12881660 AMWPDRLAIKXILC-UHFFFAOYSA-N 392.499 4.835 0 40 GJAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4ccccc4C)cc3)nn2)n1 13009805 LUIAGPIPZOGVSM-UHFFFAOYSA-N 398.470 4.583 0 40 GJAB CC(C)(C)c1ccc(OCCCC(=O)Nc2nnc(C(F)(F)F)s2)cc1 13018974 MBLXSUJNIZXETA-UHFFFAOYSA-N 387.427 4.652 0 40 GJAB COc1ccc(CN(Cc2ccncc2)Cc2cccc3cccnc23)c(OC)c1 13989845 KHPVSFADZLVSFW-UHFFFAOYSA-N 399.494 4.849 0 40 GJAB CN(CC(=O)Nc1cccc(F)c1)c1ncnc2sc(-c3ccccc3)cc12 15346222 OJHRRYRVHPQTFT-UHFFFAOYSA-N 392.459 4.572 0 40 GJAB CC(=O)c1cccc(NC(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)c1 20294423 ALQBDZIRJZXUPV-UHFFFAOYSA-N 380.423 4.534 0 40 GJAB Cc1ccc([C@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCCCC2)cc1 27581827 FIGQDZYDADDYHP-DEOSSOPVSA-N 394.559 4.841 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)C1(c2cccc(C(F)(F)F)c2)CCCC1 29462158 KNVWDICHSLWTLD-UHFFFAOYSA-N 391.389 4.562 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccnc2Oc2ccccc2)cc1 32666206 BTOVJLMVEOGDKA-UHFFFAOYSA-N 389.455 4.608 0 40 GJAB CC(C)(C)c1cc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)on1 32797364 BNDHMKZRIVWTJG-NRFANRHFSA-N 395.528 4.620 0 40 GJAB Cc1ccc(SCCC(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cc1C 32815115 DVJRWTJWHMYCNP-UHFFFAOYSA-N 390.936 4.780 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)on2)cc1 32833497 MFYZSTIYEWKJBV-UHFFFAOYSA-N 384.819 4.717 0 40 GJAB COCCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2cc(Cl)ccc21 40057327 QSHCKBZNRYWMSP-NSHDSACASA-N 394.928 4.870 0 40 GJAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1C(F)(F)F 41077047 LAZBRHTWEQPRGN-UHFFFAOYSA-N 388.389 4.598 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)Cc1c(C)nn(-c2ccccc2)c1C 48250288 DQUDNDSNEVDDQH-UHFFFAOYSA-N 387.936 4.795 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1 57473871 XNNWXFLRPFDFMK-OXJNMPFZSA-N 391.540 4.801 0 40 GJAB Cc1sc2ncnc(SCC(=O)Nc3cccc(-c4cnco4)c3)c2c1C 65158190 BWHRBURJTCTPAM-UHFFFAOYSA-N 396.497 4.694 0 40 GJAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(NC(C)=O)cc3)oc12 67339942 WWNCLTZURTTWLU-BQYQJAHWSA-N 384.819 4.705 0 40 GJAB Brc1cccc(C2(c3nc(C4CCCC4)no3)CCOCC2)c1 72273539 BREGANKGVWUAMZ-UHFFFAOYSA-N 377.282 4.586 0 40 GJAB C[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1nc(C2CCCCC2)no1 72303762 OIBYELHHFAHYQV-AWEZNQCLSA-N 391.899 4.807 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72348679 UYENOARUXCKXMD-UHFFFAOYSA-N 392.449 4.970 0 40 GJAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 72354035 JVHRBZWWHGQTQX-FQEVSTJZSA-N 391.540 4.766 0 40 GJAB O=C(c1ccccc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359333 FNRRWOFKFDHZMX-UHFFFAOYSA-N 377.875 4.817 0 40 GJAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N1CCO[C@H]2CCC[C@@H]21 78698409 PBNNQAGITVTRSG-VXKWHMMOSA-N 392.474 4.687 0 40 GJAB O=C(c1ccco1)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 96118930 BPIBSQNNJZLASZ-HNNXBMFYSA-N 385.217 4.627 0 40 GJAB O=C1O[C@@H]2C[C@@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 101629848 SVBDUOMXSTZOEP-ALZQVUFVSA-N 399.446 4.768 0 40 GJAB C[C@H](Sc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 104656843 UXICJSDWXKKABO-HNNXBMFYSA-N 394.462 4.535 0 40 GJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC45OCCO5)[C@@H]3CC[C@@H]2C1 118914898 DPBGWNOQXKBDCB-PQWGXEMDSA-N 376.537 4.704 0 40 GJAB Cc1cc(NC(=O)N[C@H](C)C[C@@H](O)c2cccs2)ccc1Oc1cccnc1 162601582 YMDKCVHAGYWIQU-CRAIPNDOSA-N 397.500 4.878 0 40 GJAB Cc1cc(Br)cc(C)c1NC(=O)COc1cccc2cccnc12 193118065 OSCAMHGRYJXGEV-UHFFFAOYSA-N 385.261 4.632 0 40 GJAB CCC(CC)(C1=N[C@H](Cc2ccccc2)CO1)C1=N[C@H](Cc2ccccc2)CO1 197600975 ZIDQHNROIGAKIB-FGZHOGPDSA-N 390.527 4.873 0 40 GJAB COC1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCCCC1 225628906 RRQOBYREHLJHKT-IBGZPJMESA-N 388.552 4.618 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(F)c(F)c1)CC(C)(C)O2 225683028 IBHKBINXOJNRKY-INIZCTEOSA-N 378.444 4.562 0 40 GJAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(Cl)cc3Cl)c2c1 225755210 HPDNGMRCUNNWJX-UHFFFAOYSA-N 375.255 4.564 0 40 GJAB Cc1cc(C)nc(Nc2cccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)c2)n1 225915076 PRTHXDHGWKWCLW-HNNXBMFYSA-N 380.879 4.981 0 40 GJAB Cc1ccc(Oc2ccccc2C(=O)N(CCc2ccccc2)CC(=O)O)cc1 257317993 VMBBVAVNLNWWFP-UHFFFAOYSA-N 389.451 4.557 0 40 GJAB O=C(c1cccc(OCc2ccccc2)c1)[C@H](Br)CBr 382701227 OOEOOJULXVDKQQ-OAHLLOKOSA-N 398.094 4.607 0 40 GJAB Cc1ccc(CNC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)cc1 408679337 VZTZZHURKIMQPV-UHFFFAOYSA-N 382.463 4.722 0 40 GJAB Cc1nc(CC(=O)N2CCCCCCCc3ccccc3OCCC2)cs1 643583845 CYXKOYAPDREQCR-UHFFFAOYSA-N 386.561 4.798 0 40 GJAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@H]1CCCN1c1ccccc1 1624425407 ZOYMZQOVGINSMH-HSZRJFAPSA-N 378.560 4.929 0 40 GJAB Cc1ccc(Cl)cc1N1C(=O)N(CC2CCC2)c2ccccc2S1(=O)=O 1889108581 XDAQBTSUHVTGAW-UHFFFAOYSA-N 390.892 4.584 0 40 GJAB C[C@@H](O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1 642790 ZVRBXEOJODKIFK-SECBINFHSA-N 399.082 4.517 0 40 GJAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2F)ccc1O 802642 VIXBBPDAKJLKSS-NRFANRHFSA-N 378.403 4.701 0 40 GJAB COC(=O)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 1305293 KKXRNXMJXBUPIB-SIKLNZKXSA-N 388.423 4.617 0 40 GJAB CCOc1ccc(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 1518706 YZZDKSUOJPZEHH-UHFFFAOYSA-N 392.436 4.568 0 40 GJAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1ccccc1F 2096009 ZCQJQCVUICCACK-UHFFFAOYSA-N 389.382 4.617 0 40 GJAB biogenic CCCOc1ccccc1/C=C1\N=C(c2cc(F)c(F)cc2Cl)OC1=O 2307756 BJWQJICQIVCNIE-PXNMLYILSA-N 377.774 4.752 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cc(C)nc4ccccc34)n2)cc1 2628009 LXJKWUIYWKXPDS-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB O=C(NCc1ccc(Cl)cc1)c1ccccc1OCCOc1ccccc1 3279413 BRIDJRKVSGNTPE-UHFFFAOYSA-N 381.859 4.728 0 40 GJAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1cc(C(=O)O)ccc1Cl 3347427 BAAUIHLWNFWQND-UHFFFAOYSA-N 397.239 4.564 0 40 GJAB CCCCCN(CCCCC)CC(=O)Nc1cc(N(C)C)nc2ccccc12 4066719 BRJPTJXQUAPPHD-UHFFFAOYSA-N 384.568 4.922 0 40 GJAB CCOc1ccc(OCc2nnc(SC)n2-c2ccc(Cl)cc2)cc1 4254348 RTTYKEWDEHKKFZ-UHFFFAOYSA-N 375.881 4.620 0 40 GJAB CCOc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 4846927 SPERBHHXRKUUFC-UHFFFAOYSA-N 384.657 4.519 0 40 GJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1nc(C)c(C)s1 4849362 UEFJHHBAJXCFAY-UHFFFAOYSA-N 387.530 4.610 0 40 GJAB CCCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccco1 4861127 FKRVNTYJAWFITB-UHFFFAOYSA-N 384.505 4.686 0 40 GJAB CCCCC1CCC(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 5447346 DYJWTUOKKSOHAR-UHFFFAOYSA-N 394.581 4.652 0 40 GJAB C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1-c1ccccc1)C(=O)O 5587085 PHFGYRUSSNJJHT-HNNXBMFYSA-N 389.480 4.577 0 40 GJAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1F 6219357 LWJCFWPZKADZPR-UHFFFAOYSA-N 381.404 4.500 0 40 GJAB CCCOc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1 6235213 TYNSNCXDRHHMPW-UHFFFAOYSA-N 396.468 4.622 0 40 GJAB Cc1ccc([C@H](OC[C@@H](O)CN[C@@H](C)c2ccccc2)c2ccccc2)cc1 6300652 UTLMVRAUAPUKKC-KSNOWIBYSA-N 375.512 4.813 0 40 GJAB CCc1ccc(-n2c(SCc3c(C)noc3C)nc3ccccc3c2=O)cc1 6359271 KFAITNQYIOANMS-UHFFFAOYSA-N 391.496 4.845 0 40 GJAB COc1ccccc1Nc1nnc(SCc2cc(-c3ccco3)on2)s1 7179861 ZZNSSBGWMIMRSE-UHFFFAOYSA-N 386.458 4.831 0 40 GJAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(OC(C)C)c1 8071939 RCUKLYPBBKAPMD-UHFFFAOYSA-N 378.428 4.880 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1 8341755 YPMFDWWJHCTMNG-QHCPKHFHSA-N 399.494 4.679 0 40 GJAB CCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CCCOCC 9060025 QNSGFNBFTJTEKM-UHFFFAOYSA-N 382.508 4.813 0 40 GJAB C[C@H](NC(=O)CSCCOc1ccccc1)c1ccc(Cl)c(Cl)c1 9594960 BLKYCZGEFWPBQS-ZDUSSCGKSA-N 384.328 4.983 0 40 GJAB CN(Cc1ccco1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 10030376 OPQVLRPMSVBSPP-UHFFFAOYSA-N 377.469 4.525 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 10441875 MEUFBVMDBXLJRC-CQSZACIVSA-N 375.852 4.540 0 40 GJAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)C(C)(C)C)n2)cc1 12442144 CKYABGDSDFCULI-UHFFFAOYSA-N 384.505 4.688 0 40 GJAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(N2CCCCC2=O)cc1 12567151 OIXJFPOPCQUNDV-UHFFFAOYSA-N 391.515 4.836 0 40 GJAB Cc1cccc(-c2noc(CN(C(=S)Nc3ccccc3C)C(C)C)n2)c1 12654226 SRMKAWYVOHGJJX-UHFFFAOYSA-N 380.517 4.961 0 40 GJAB CCc1nc(COC(=O)c2ccccc2C(=O)c2cc(C)ccc2C)cs1 12922593 CMNXASPSYHMQSJ-UHFFFAOYSA-N 379.481 4.910 0 40 GJAB CC1CCN(Cc2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)CC1 12938654 YGDGRBJLNTXBCS-UHFFFAOYSA-N 384.332 4.934 0 40 GJAB COC(=O)c1cc2ccccc2cc1OCc1ncc(-c2ccc(F)cc2)o1 12948304 MXUSLSDPXQPDJY-UHFFFAOYSA-N 377.371 5.000 0 40 GJAB CCOc1ccccc1NC(=O)c1c(C)nc(Nc2nc(C)c(C)s2)nc1C 14607524 ALYKZJPLHBUFQN-UHFFFAOYSA-N 397.504 4.561 0 40 GJAB C[C@H](CNCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 17312471 OPNXXWHQCBITTP-HXUWFJFHSA-N 382.511 4.887 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cn1cnc3ccccc31)CC2 23508617 MITHCGYJFWXZPJ-RUZDIDTESA-N 399.494 4.659 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2cccnc2)cc1C 25378627 NECBVTMSZRDNBN-UHFFFAOYSA-N 396.494 4.823 0 40 GJAB COC(=O)Nc1c(N)nc(-c2ccccc2)nc1Sc1ccc(Cl)cc1 27562751 HJANMWKLKXDESL-UHFFFAOYSA-N 386.864 4.709 0 40 GJAB O=C(NCc1ccc(Cl)cc1)c1ccc(COc2ccc(F)cc2F)o1 27983621 NJCNOCNDVJMGSZ-UHFFFAOYSA-N 377.774 4.720 0 40 GJAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1nc(-c2ccco2)no1 29738787 ZBZVOMPNIPMCIW-LBPRGKRZSA-N 379.445 4.641 0 40 GJAB COc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 31904060 HGLOCAICCGBCEZ-UHFFFAOYSA-N 395.524 4.703 0 40 GJAB CCCCn1c(SCc2cc(-c3ccco3)on2)nnc1[C@H](CC)N(C)C 32745311 BTTJHCPWPHUSEC-HNNXBMFYSA-N 389.525 4.631 0 40 GJAB Cc1ncc(NC(=O)CC2CCCC2)n1-c1nc(-c2ccc(F)cc2)cs1 41124305 RUBQUFBRSYQQMF-UHFFFAOYSA-N 384.480 4.962 0 40 GJAB CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(N(C)C)c(Cl)c1 72310080 RWMKJMILBODHFM-UHFFFAOYSA-N 378.929 4.602 0 40 GJAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cn[nH]c1-c1cccc(Cl)c1 72328863 AEMGUUSJUPVYCF-UHFFFAOYSA-N 379.769 4.679 0 40 GJAB CS[C@H]1CC[C@@H](N(C)C(=O)c2oc3ccc(Br)cc3c2C)C1 78934068 WRZKMBVTXLMZTE-OLZOCXBDSA-N 382.323 4.860 0 40 GJAB CCOc1ccc(-c2nc(CC(=O)Nc3ccnc(SC)c3)cs2)cc1 95452248 TZPIUMXLKNNOJH-UHFFFAOYSA-N 385.514 4.507 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 223269251 ZMYWUHMPKQBGNA-QFIPXVFZSA-N 394.559 4.568 0 40 GJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(CN2CCCC2)cc1 224519878 MEZFJKFBXIEUEQ-UHFFFAOYSA-N 391.342 4.838 0 40 GJAB CCn1cc(CN2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)c(C)n1 257245450 IPOQFTBXQLSEIQ-JOCHJYFZSA-N 396.922 4.500 0 40 GJAB CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 260843438 RUIBWTRAOHIMJI-UNMCSNQZSA-N 398.522 4.622 0 40 GJAB CCc1ccc(NC(=O)c2cc3c(N4CCCC4)nc(SC)nc3s2)cc1 408618294 FXOSMAAIJZSDBY-UHFFFAOYSA-N 398.557 4.828 0 40 GJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1c(OC)ccc2ccccc12 409369306 ATDYUYWBKAEQTK-IBGZPJMESA-N 380.469 4.616 0 40 GJAB Cc1cc2nc3s/c(=C\c4ccc(OC(C)C)c(Cl)c4)c(=O)n3c2cc1C 409393952 UAIQBWKOHIIOKS-GRSHGNNSSA-N 398.915 4.514 0 40 GJAB CO[C@H]1CCOc2c(NC(=O)c3ccc(Nc4nc(C)cs4)cc3)cccc21 570370430 RXCLHNATBFLDJZ-SFHVURJKSA-N 395.484 4.917 0 40 GJAB COc1ccc(Br)cc1[C@H]1Nc2ccc(C)cc2-c2cc(C)nn21 627834 BCYDNGZETYONBH-IBGZPJMESA-N 384.277 4.910 0 40 GJAB Cc1cccc(C2=N/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)O2)c1 1117807 GURJNFAISGSHND-XDHOZWIPSA-N 388.379 4.816 0 40 GJAB COc1ccc2cc3c(N)c(C(=O)Nc4ccccc4Cl)sc3nc2c1 1223886 XSMBBHDNBFCERJ-UHFFFAOYSA-N 383.860 4.946 0 40 GJAB O=C(/C=C/c1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 2316180 LDWSYVWQFOOSMP-DTQAZKPQSA-N 382.463 4.932 0 40 GJAB O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1cccc2ccccc12 2401215 HKGUTTKEIBKJKJ-FQEVSTJZSA-N 386.234 4.559 0 40 GJAB CCCn1nc(C(=O)Nc2ccccc2Cc2ccccc2)c2ccccc2c1=O 2657646 BJVBIGWCHAIQGB-UHFFFAOYSA-N 397.478 4.650 0 40 GJAB Cc1nc(N2CCN(c3ccccc3F)CC2)c2c3c(sc2n1)C[C@H](C)CC3 3344250 LUYZSVCFJJHELK-CQSZACIVSA-N 396.535 4.590 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccc(C)c1 4996697 CTMZNENAGQDBNG-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB Cc1cc(C)cc(N(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 5082919 BVMINUAJNSEZPQ-HXUWFJFHSA-N 397.540 4.558 0 40 GJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1Cl 6063970 XMPYMQPUCXYPEA-UHFFFAOYSA-N 382.287 4.692 0 40 GJAB C[C@@H](NC(=O)CSc1nccn1Cc1ccccc1)c1cc2ccccc2o1 8215779 ZPTRHYNLMUQABY-MRXNPFEDSA-N 391.496 4.647 0 40 GJAB Cc1ccc(-c2noc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)n2)cc1 8328362 JELWOURIVDRFRL-LJQANCHMSA-N 391.471 4.543 0 40 GJAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)C1C[C@@H]2CCC[C@H](C1)C2=O 8391304 LYHAYLWOQRXFEU-QNLWVQNGSA-N 376.452 4.549 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 9135324 KUSCUHAQCAMRAW-UHFFFAOYSA-N 388.423 4.638 0 40 GJAB CC[C@@H](C)[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1)c1ccccc1 12073343 FEDAQJVYSMDQQB-OPAMFIHVSA-N 380.488 4.590 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(C(F)(F)F)c1 12540736 GIMJNPTZUNTSFJ-UHFFFAOYSA-N 378.394 4.632 0 40 GJAB COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CCCc2ccccc21 12809509 KIPGENBSHONZEO-SFHVURJKSA-N 388.305 4.536 0 40 GJAB COc1ccc(-c2cc3nc(CN(C)Cc4cccs4)nc(O)c3s2)cc1 12903454 KHTGQKOUHOXMKO-UHFFFAOYSA-N 397.525 4.766 0 40 GJAB C[C@@H]1c2ccsc2CCN1Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S 12910576 IZCVTLYAXRGDRK-GFCCVEGCSA-N 390.965 4.910 0 40 GJAB CCn1c(-c2ccc(Cl)cc2)nn(CN2CCc3sccc3C2)c1=S 12924914 FSFWZBOHGPEESG-UHFFFAOYSA-N 390.965 4.832 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2cccc(Cl)c2)c1 13647997 HCZXROHHWXCEPW-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccccc2C)CC1=O 14095510 XWRQHJFYFHMESN-LJQANCHMSA-N 391.515 4.540 0 40 GJAB O=C1C[C@@H](c2ccccc2F)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081481 MIANXMXDWBYZAL-ZDUSSCGKSA-N 385.391 4.866 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cncn3-c3ccc(F)cc3)n2)cc1 19167783 HRXGZJAUPKHUPY-UHFFFAOYSA-N 378.432 4.696 0 40 GJAB CCCC(=O)N1CC[C@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC(C)C)C1 19501037 YKTWMJLDUUBYFT-HSZRJFAPSA-N 398.572 4.501 0 40 GJAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC 22520268 IIOHBWSSAUZJCS-HZPDHXFCSA-N 379.456 4.502 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 23011016 OQXNOCYKOLQFLH-CXUHLZMHSA-N 387.439 4.991 0 40 GJAB CC(C)(C)c1csc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)n1 23137152 QGOADWDOBBMZGB-UHFFFAOYSA-N 393.556 4.552 0 40 GJAB Cc1ccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)cc1 35400316 OQQULMWDQMITKO-UHFFFAOYSA-N 397.453 4.895 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-c3nc(C)no3)cc2)cc1 36396445 COOSXSFNINZKFG-NRFANRHFSA-N 391.471 4.811 0 40 GJAB CNC(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1 37534368 GMTNMFOUUHRHEM-UHFFFAOYSA-N 383.127 4.585 0 40 GJAB O=C(CSCc1nc(-c2cccc(Cl)c2)no1)Nc1cc(F)cc(F)c1 40067436 SIYZYSISQQLRCF-UHFFFAOYSA-N 395.818 4.540 0 40 GJAB O=C(c1cccc(Cl)c1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62129254 AKKUBOKGVWWLNT-UHFFFAOYSA-N 379.891 4.756 0 40 GJAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 71806832 RMRWJDBWBQNWAF-CYBMUJFWSA-N 394.496 4.700 0 40 GJAB CNc1ncccc1CN1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72358223 KKNPCWBTDVCFMD-QFIPXVFZSA-N 376.479 4.585 0 40 GJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72378852 ZUTFHCLJUWSKNO-LJQANCHMSA-N 378.451 4.507 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)C12CCCCC2 72401950 JXPFRWDEVJTNNF-OAQYLSRUSA-N 391.515 4.619 0 40 GJAB CCCCOc1ccc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 109831081 OFRJUCUJBVQOJN-PDGQHHTCSA-N 385.847 4.872 0 40 GJAB O=C(COc1ccc(F)cc1)NCCSCc1ccc(Cl)c(Cl)c1 222780578 HUEGDGTWWZZRKP-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCCC2)cc1 225512603 NBWONXBETLOTCU-UHFFFAOYSA-N 392.543 4.920 0 40 GJAB COC(C)(C)CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1Cl 225609298 BLTVZPPABRIZQN-HXUWFJFHSA-N 385.932 4.924 0 40 GJAB O=C(Cc1cccc(Br)c1)NCCSCc1ccccc1Cl 225612761 GUBVHHKVFYUZQP-UHFFFAOYSA-N 398.753 4.695 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)CCc2ccc3c(c2)OCO3)c2ccccc2O1 225699096 MDVVOJCOKFTKTI-GOSISDBHSA-N 381.472 4.547 0 40 GJAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccc(Oc2ccccc2)cc1 225745554 NUCFRXPOIOWXNQ-UHFFFAOYSA-N 384.435 4.741 0 40 GJAB COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257276377 NTLCIHONADHUKZ-FQEVSTJZSA-N 376.456 4.641 0 40 GJAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(CC2CC2)CC1 257312786 UPLZVZLYRDTIOL-UHFFFAOYSA-N 396.600 4.974 0 40 GJAB Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)nc1 257322186 WEXVSJVOFXSVRR-KRWDZBQOSA-N 394.450 4.904 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3C)n2)c1 408697557 HTHFRDGGXRRKPH-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 408808281 FLMPCALTSXBQNS-UHFFFAOYSA-N 382.896 4.903 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](OCC(F)(F)F)C1 590019860 TWFYUFHNUFVAHH-JHJVBQTASA-N 396.236 4.667 0 40 GJAB COCc1cccc(CNc2ccc3ccn(Cc4ccc(CO)cc4)c3c2)c1 1621038577 FOGNVZQTSGHMJO-UHFFFAOYSA-N 386.495 4.940 0 40 GJAB CCOc1cc(-c2cc(OC)c(OC)c(OC)c2)cc(=O)c2c(C)oc(C)c12 892069 MXMLKECABSTTLT-UHFFFAOYSA-N 384.428 4.501 0 40 GJAB biogenic COc1ccc(-c2cc3nc4c(c(N5CCC[C@H](C)C5)n3n2)CCCC4)cc1 1341522 MSPAFBYMMRZIKC-INIZCTEOSA-N 376.504 4.520 0 40 GJAB O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12 2339980 NWHPCYPBWLDGBW-HSZRJFAPSA-N 388.854 4.604 0 40 GJAB O=C1CSC2=NC3=C(CCCC3=C3SCCS3)[C@@H](c3ccccc3)N12 3351235 BAALYWWNHUNZQD-QGZVFWFLSA-N 386.567 4.802 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H](NCc2ccc3c(c2)OCO3)c2ccccc2)c1 3351482 KMVJNMSFIRSGRR-HSZRJFAPSA-N 388.467 4.502 0 40 GJAB Cc1cc(C)cc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c1 4200720 QTGZMVMMJXKSGY-UHFFFAOYSA-N 395.509 4.776 0 40 GJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 4734739 CNLKTLLBHHEBTR-LJQANCHMSA-N 381.863 4.930 0 40 GJAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 4741109 JPVUJETZQPGUAM-UHFFFAOYSA-N 394.446 4.772 0 40 GJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)c1ccc(NC(C)=O)cc1 4849373 YLEGEEQZELGURS-UHFFFAOYSA-N 394.496 4.739 0 40 GJAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(Br)cc1 5127531 IKKJIJWVYVZHFC-FMIVXFBMSA-N 387.664 4.757 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n2)cc1 5180229 MQEFZYIAFANWHL-ZIAGYGMSSA-N 398.507 4.531 0 40 GJAB Cn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccco1 5861867 ZETRXLZFMZWVHA-IBGZPJMESA-N 375.453 4.791 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1 6812345 NGRAREZAWQKWTL-SFHVURJKSA-N 393.487 4.558 0 40 GJAB CCCCc1ccc(NC(=O)c2cccc(I)c2)cc1 6890843 GSJDEMCVFJSVNA-UHFFFAOYSA-N 379.241 4.886 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)NCc3cccs3)cccc2c1=O 8133282 NELIDYMHXKORCZ-UHFFFAOYSA-N 375.449 4.760 0 40 GJAB O=C(c1cccc(Oc2ccccc2)c1)N1CCC(c2nnc3ccccn23)CC1 8855703 HGCRFURCASCWMH-UHFFFAOYSA-N 398.466 4.541 0 40 GJAB CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 10362753 WFFLUTGPJCMRTC-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB COc1cccc(CNc2ncc(-c3onc(C)c3C)c(-c3ccco3)n2)c1 12186824 SLOUFSLXBSDKGU-UHFFFAOYSA-N 376.416 4.629 0 40 GJAB CCCOc1cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)nc(C)n1 12225572 VFPGCIVDZGGRIJ-UHFFFAOYSA-N 380.423 4.709 0 40 GJAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3cc(C)ccc3C)ccc2c1 12773055 REJRNNQVOKPXOR-SFHVURJKSA-N 376.500 4.924 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)N[C@@H](c1ccc(C)cn1)C2 19216086 XTQRRPQLERKESX-NFBKMPQASA-N 378.447 4.523 0 40 GJAB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=S)N(C)CC 19797186 POOFUZRMNFREPJ-UHFFFAOYSA-N 382.938 4.894 0 40 GJAB Clc1ccccc1-c1nnc(CSc2nnc(Cc3ccccc3)o2)o1 19929047 MFMIPHCLYFWGCP-UHFFFAOYSA-N 384.848 4.656 0 40 GJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 20141998 SYYWMTYODVCCMJ-OAHLLOKOSA-N 395.455 4.877 0 40 GJAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 20609934 MNWAMZIOZXMFCM-UHFFFAOYSA-N 386.455 4.768 0 40 GJAB O=C(Nc1ccccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 23054911 ZFDARWGDVMDZKG-OLZOCXBDSA-N 396.434 4.851 0 40 GJAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C 28289302 XBZBEDNUHKAGAN-NRFANRHFSA-N 382.548 4.806 0 40 GJAB COc1cc(C(=O)Nc2cc(Cl)cc3cccnc23)ccc1OC(F)F 32753675 MQSKMMUOVPRDIB-UHFFFAOYSA-N 378.762 4.751 0 40 GJAB COc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1OCc1cccnc1 32832258 FRIPIXMDYZOQER-UHFFFAOYSA-N 386.810 4.714 0 40 GJAB CSc1ccc(Cl)c(C(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)c1 32930221 TYJQHDCISHRZBO-INIZCTEOSA-N 391.920 4.550 0 40 GJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCc1nc(C(C)C)no1 40066895 DEUSOKHVACLVBA-UHFFFAOYSA-N 396.230 4.820 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(C(=O)[C@@H]4C[C@@H]4c4ccc(F)cc4)CC3)c2c1 42970371 HALRKFBNPAZKHN-TZIWHRDSSA-N 390.458 4.735 0 40 GJAB Cc1cc(CN2CCC(CNC(=O)Nc3ccccc3Cl)CC2)c(C)o1 43973024 OGJNQNCBXLQLOQ-UHFFFAOYSA-N 375.900 4.584 0 40 GJAB COc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)CCN2C(C)=O 48004710 SFGLSVJULWRHML-UHFFFAOYSA-N 386.451 4.524 0 40 GJAB CN(c1ccccc1)c1ccccc1NC(=O)N1CCC[C@H](N2CCCC2)C1 48234224 YQUCQTFVAZPFAQ-FQEVSTJZSA-N 378.520 4.547 0 40 GJAB Cc1sc2nc([C@@H](C)Nc3ccc(N(C)C(C)C)c(F)c3)[nH]c(=O)c2c1C 59932752 PDKWPIQNRAAARX-GFCCVEGCSA-N 388.512 4.758 0 40 GJAB CC(=O)N(c1ccc(C)cc1)c1nc(CN2CCOc3ccccc32)cs1 64140910 YUDLVLUJDVZXKG-UHFFFAOYSA-N 379.485 4.535 0 40 GJAB COC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)c1 67339920 LTYPDNWAVCMIIJ-VOTSOKGWSA-N 385.803 4.533 0 40 GJAB Cc1ccccc1-c1cncc(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 72359339 QGPJKZIUWFTLSP-UHFFFAOYSA-N 375.447 4.611 0 40 GJAB O=C(NCCN1CCC(c2cccs2)CC1)c1cc(Cl)ccc1Cl 77104028 BHEPNZCVFTVGBO-UHFFFAOYSA-N 383.344 4.664 0 40 GJAB CS[C@@H]1CC[C@H](N(C)C(=O)c2oc3ccc(Br)cc3c2C)C1 78934086 WRZKMBVTXLMZTE-QWHCGFSZSA-N 382.323 4.860 0 40 GJAB COc1cc(Cc2cc(-c3ccc(Cl)cc3)nnc2O)ccc1OC(F)F 95475963 IVQZLFRLGKIKNU-UHFFFAOYSA-N 392.789 4.703 0 40 GJAB CC(C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(Br)cc1 95945538 ODCLPFVGVMPSPV-INIZCTEOSA-N 375.266 4.766 0 40 GJAB CCOc1c(OC)cc(CN2CC=C(c3c[nH]c4ccccc34)CC2)cc1OC 95997186 RMWOMXGNQNQQKG-UHFFFAOYSA-N 392.499 4.873 0 40 GJAB COc1ccccc1-c1cc(NC(=O)c2cccnc2C)n(-c2ccccc2)n1 97001667 APZBQHWAJZRWNX-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(O)o1 137819343 QAGPYVBZZQRHNX-LJQANCHMSA-N 379.437 4.717 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)COc1ccccc1C 219337791 FSTDVZODTGWKQW-GHTZIAJQSA-N 377.484 4.889 0 40 GJAB CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C 223056854 YTNTUBXWDZUODE-HSZRJFAPSA-N 394.559 4.589 0 40 GJAB COc1cc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c(OC)cc1Cl 223288008 XPSWZHNDUSCFDO-CYBMUJFWSA-N 389.879 4.642 0 40 GJAB COc1ccc(OCc2cc(C(=O)NCCC3=CCCCC3)ccc2OC)cc1 224262335 JAWOHNWVEHTJER-UHFFFAOYSA-N 395.499 4.903 0 40 GJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)s2)c1 224518734 XGDYSJLKMQLJPU-RBUKOAKNSA-N 381.526 4.637 0 40 GJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 224553936 WEGVKIISJXYSKH-CYBMUJFWSA-N 381.925 4.686 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(C)cc1C 225168475 VFUUMVSDMZUXNV-QFIPXVFZSA-N 381.516 4.535 0 40 GJAB Nc1c(-c2ccc(Br)cc2)c(C(F)(F)F)nn1-c1ccccc1 225181423 VBTOQLIGCOVOTB-UHFFFAOYSA-N 382.183 4.903 0 40 GJAB CC[C@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc(OC)c(C)c1 225185737 RNBUTBVMXGWTRQ-NRFANRHFSA-N 399.512 4.595 0 40 GJAB Cc1ccnc([C@H]2CCN(Cc3cc(Br)cc4cccnc34)C2)c1 568764465 QXFAGOSWSMUQIH-INIZCTEOSA-N 382.305 4.690 0 40 GJAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C[C@@H]1c1ccccc1 1848353673 PGFPOLXPNZQRGU-XMMPIXPASA-N 386.495 4.541 0 40 GJAB CCN(CC)c1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 702306 VRXQPRYMLRCHSU-UHFFFAOYSA-N 387.980 4.684 0 40 GJAB O=C(c1ccc(F)cc1)C1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 1336856 MWABXRIHVKTVBJ-UHFFFAOYSA-N 376.884 4.771 0 40 GJAB Cc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 1369016 VRTWXMPXKIDZJL-VXKWHMMOSA-N 381.495 4.841 0 40 GJAB Cc1nc(SCC(=O)Nc2ccc(C)c(F)c2)c2oc3ccccc3c2n1 2380753 TXABQNWRMRXOQC-UHFFFAOYSA-N 381.432 4.863 0 40 GJAB Cc1cccc(OCCSc2nc3sccc3c(=O)n2-c2ccccc2)c1 2635515 RXOPCLYTRRLWJO-UHFFFAOYSA-N 394.521 4.927 0 40 GJAB O=C(CSc1cccc2cccc(Cl)c12)NCc1ccc2c(c1)OCO2 2661049 ARROLMWEYBYWOL-UHFFFAOYSA-N 385.872 4.630 0 40 GJAB CC[C@@H](C)[C@H]1N=C2c3ccccc3N=C(SCc3cccc(F)c3)N2C1=O 2964553 XCPGOMWJQHEDEH-FZKQIMNGSA-N 381.476 4.764 0 40 GJAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCCC1 3206327 LETUGUIGNHRAIJ-DYVFJYSZSA-N 379.982 4.914 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3222888 MEOCGLKXUBNJEG-MRXNPFEDSA-N 390.578 4.782 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N(C(C)C)C(C)C)s2)c1C 3587859 RJGSKWQXJUUUNC-UHFFFAOYSA-N 378.567 4.636 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN=C1SCc1ccccc1 4119829 TYWUVEISWZTGKE-UHFFFAOYSA-N 388.920 4.629 0 40 GJAB O=C(NC(=S)Nc1ccccc1)c1cccc2c(Br)cccc12 4406406 YRKATUVIJMBRAN-UHFFFAOYSA-N 385.286 4.729 0 40 GJAB O=C1CCCCC[C@@H]1[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 4769847 KDRIXBWHNIATND-NVQXNPDNSA-N 399.490 4.724 0 40 GJAB C[C@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 4854581 KIBKZTJXDIKILT-LNIIZBNTSA-N 393.486 4.510 0 40 GJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1cccc(C)c1 4937110 LJSOKAFRHPNAEY-UHFFFAOYSA-N 397.474 4.988 0 40 GJAB Cc1cccc(N2C(=O)C=C(NCc3nc4ccccc4[nH]3)[C@@H]2c2ccccc2)c1 5478865 MXIUSILAIBPPLE-VWLOTQADSA-N 394.478 4.633 0 40 GJAB CCCCCn1c(O)c(C(=O)Nc2cccc(C)c2C)c(=O)c2ccccc21 5736284 NOJAPHGTQPBMFY-UHFFFAOYSA-N 378.472 4.766 0 40 GJAB COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(C)cc2)c2ccccc2)c1 6430512 ZDRBTMBWRCLNTO-OAQYLSRUSA-N 375.424 4.540 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 6657245 OYOABEXATKMBML-LDADJPATSA-N 398.440 4.620 0 40 GJAB CC1(C)C[C@@](CCNC[C@@H]2CCCO2)(c2cccc(C(F)(F)F)c2)CCO1 6668930 HXJJJRCIZANMKF-ICSRJNTNSA-N 385.470 4.691 0 40 GJAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 7078286 ZHRGGYMNMKTUAD-DKNZLLBESA-N 392.480 4.972 0 40 GJAB COc1ccc2nc(SCC(=O)N[C@@H](C)c3cccc4ccccc34)[nH]c2c1 7241027 USYFTQGMURLPNJ-AWEZNQCLSA-N 391.496 4.694 0 40 GJAB CC(=O)N(C)Cc1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C 7425400 AAQXZGRLEJQZHB-UHFFFAOYSA-N 379.504 4.525 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ncc(-c2ccccc2)o1 8065538 GZDYPIDKRWCTOM-UHFFFAOYSA-N 390.270 4.719 0 40 GJAB O=C(NCCSCc1cccs1)c1cc(Br)ccc1Cl 8848180 BIEGICUAAXXSGH-UHFFFAOYSA-N 390.755 4.827 0 40 GJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc(SC(F)F)cc1 8855876 FBEFSARNRJFHBH-UHFFFAOYSA-N 382.457 4.972 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](NCc2ccc3c(c2)OCO3)c2ccccc2)c1 9607630 QEXYCNOYYRHSMJ-HSZRJFAPSA-N 388.467 4.502 0 40 GJAB O=C(CCCn1c(C(F)(F)F)nc2ccccc21)Nc1c[nH]c2ccccc12 12143745 JYEWIHXFLASNKI-UHFFFAOYSA-N 386.377 4.955 0 40 GJAB CN(C)c1nc2ccccc2cc1CN[C@@H](Cc1ccsc1)c1nccs1 12325679 VPWPYXCMKKQNRV-IBGZPJMESA-N 394.569 4.892 0 40 GJAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)ccc12 12778460 VTSNCOZXKXSJMZ-NSHDSACASA-N 392.238 4.814 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3F)o2)c(C)c1 12980686 RRLYOZKMCCHESI-UHFFFAOYSA-N 394.446 4.722 0 40 GJAB Fc1ccc(-n2ncc3c(SCc4cccc5cccnc45)ncnc32)cc1 13296633 LOVHKSHUBMBUPF-UHFFFAOYSA-N 387.443 4.795 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 15810939 NFQQFINWCBSZMA-UHFFFAOYSA-N 380.469 4.936 0 40 GJAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccnc3)o2)cc1Cl 17081397 CUGIIYYAYZUGBP-VQHVLOKHSA-N 397.887 4.830 0 40 GJAB COc1ccc(CCN2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)cc1 19217822 LAAAIXNASWCPFC-UHFFFAOYSA-N 383.517 4.537 0 40 GJAB Cc1c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cccc1C(=O)O 20143626 WCVJOQJJVXCIJQ-UHFFFAOYSA-N 399.402 4.719 0 40 GJAB Cc1cc(OCC(=O)N2CCCC[C@H]2CCN2CCCCCC2)ccc1Cl 21170871 DMYFVQCCZPFMGB-IBGZPJMESA-N 392.971 4.674 0 40 GJAB CCCn1nc(NC(=O)COc2ccc(C)cc2)c2cc3ccc(C)cc3nc21 21595109 IAVMREUMGRQQAL-UHFFFAOYSA-N 388.471 4.629 0 40 GJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccccc1 21786972 JZEHNWDMEGZVGL-JOCHJYFZSA-N 391.515 4.969 0 40 GJAB O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cccc2cn[nH]c12 25669067 VFCPSVJEEZYLIB-BPURVQTLSA-N 379.463 4.590 0 40 GJAB Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCCCC2)cc1 27582064 ANTSNYHZPHYYIZ-QFIPXVFZSA-N 384.951 4.924 0 40 GJAB CN(Cc1ccccc1Cl)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 36397506 HUMGGEZMUHULGH-UHFFFAOYSA-N 381.834 4.982 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Cn3cccn3)cc2)cc1 40037445 MHXZXZJDLVRMRG-QHCPKHFHSA-N 389.499 4.698 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccccc2C)cc1OCC 44884951 KSTJYAFNVKQMRO-IEBWSBKVSA-N 385.504 4.827 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(CSC(F)F)o2)N1c1ccncc1 54702476 CJVCLOPSJAOSIM-KRWDZBQOSA-N 387.411 4.902 0 40 GJAB COCc1c(C(=O)N(C)Cc2ccc(SC)c(OC)c2)oc2ccccc12 58174299 OUXZOVXSGCEGIE-UHFFFAOYSA-N 385.485 4.582 0 40 GJAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)Nc1cccc2c1CCCC2 58366794 HGSDNPHAQFAZBG-UHFFFAOYSA-N 377.463 4.688 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c(OC)c1 58369841 ULBIFSGFEUXOAP-UHFFFAOYSA-N 391.471 4.546 0 40 GJAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)n1 69417989 ZFOKKBLFERDAES-ZBFHGGJFSA-N 378.925 4.934 0 40 GJAB Clc1ccccc1CNc1ncc(-c2cnccn2)c(-c2cccs2)n1 72338745 FSCVFOGFQSLHNB-UHFFFAOYSA-N 379.876 4.928 0 40 GJAB O=C(c1ccncc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 72357825 VCMLPLHZSGVPOM-OAQYLSRUSA-N 377.875 4.698 0 40 GJAB CC(=O)c1ccccc1NC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 84081686 LVRQGDCTDNVCMM-UHFFFAOYSA-N 389.411 4.863 0 40 GJAB Cc1ccc(N(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C2CCCCC2)nc1 84191528 LYJIFUNRXZIOCP-QFIPXVFZSA-N 394.515 4.927 0 40 GJAB O=C(COc1ccc(C2SCCCS2)cc1)N1CCC[C@H]1c1ccc[nH]1 84338987 NCLIARJNBFIFTL-SFHVURJKSA-N 388.558 4.626 0 40 GJAB O=C(C[C@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21)NC1CCC1 96052742 CFRZHKQZWVJJEX-SFHVURJKSA-N 394.584 4.828 0 40 GJAB Cc1ccccc1-c1nc(C)c(CNS(=O)(=O)/C=C/c2ccccc2)s1 96096726 IEJNNTQRRFTYTB-OUKQBFOZSA-N 384.526 4.517 0 40 GJAB O=C(Nc1c(NC2CCCCC2)c2ccccc2oc1=O)c1ccccc1F 101095568 HDWITIMXNLIJEX-UHFFFAOYSA-N 380.419 4.929 0 40 GJAB COc1ccc(-c2csc(C3=C(O)CN(c4cccc(OC)c4)C3=N)n2)cc1 102728969 TYDYAICFBGJPKL-UHFFFAOYSA-N 393.468 4.594 0 40 GJAB CC1CCN(Cc2cccc(NC(=O)c3cc(-c4ccc(F)cc4)no3)c2)CC1 141589973 HGYOSZQSYCRNQQ-UHFFFAOYSA-N 393.462 4.965 0 40 GJAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1cccc2ccccc12 208281855 QHBHTBQVARXEMQ-GZTJUZNOSA-N 394.477 4.576 0 40 GJAB CCCc1nc(S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)O)n[nH]1 213374946 HPTHYBXGCZDPBK-GDNBJRDFSA-N 389.864 4.888 0 40 GJAB COc1ccccc1CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 216419110 LSSVBGOJHRWSOQ-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB COc1cccc(CCCNC(=O)c2ccccc2OCc2ccccc2)c1 218986344 XFQJQUSVRIICMX-UHFFFAOYSA-N 375.468 4.637 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 223161929 DJGBXZCDZQAICI-QFIPXVFZSA-N 394.559 4.650 0 40 GJAB Cc1ccc(OCCNC(=O)CCCOc2ccc(Cl)cc2)cc1Cl 224150436 OFSNFINJEXVOID-UHFFFAOYSA-N 382.287 4.656 0 40 GJAB O=C(NCCOCc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 224276084 GZQKLKRBQDIIIO-UHFFFAOYSA-N 395.886 4.866 0 40 GJAB COc1cccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3OC)o2)c1 224847547 QGINGRBGMMIOFM-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB COc1cccc(-c2nnsc2C(=O)Nc2cc(Cl)cc(Cl)c2)c1 225766202 LCLCIVBGXRZKIJ-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2cc3ccccc3o2)c(Cl)c1 226285852 GVUUAAYBRMWMNI-UHFFFAOYSA-N 396.752 4.864 0 40 GJAB O=C(O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226340928 VZFADXZFXSLGRO-ZZXKWVIFSA-N 385.616 4.918 0 40 GJAB O=C(O)c1ccc(CN2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)cc1 257322088 WENYOZHDKJRCBB-OAQYLSRUSA-N 394.446 4.830 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)C1(c2cccs2)CCCC1 390830926 OKCBINMECAQXQH-HNNXBMFYSA-N 387.526 4.731 0 40 GJAB CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 408628910 XYAKDFQKZQBHRF-UHFFFAOYSA-N 385.514 4.528 0 40 GJAB Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 408629087 ZCUCWUOSRMUCQB-UHFFFAOYSA-N 381.501 4.971 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)c1 409106072 QHJUXVAYSHDDNE-UHFFFAOYSA-N 380.517 4.540 0 40 GJAB O=C(NCC1(c2ccncc2)CCCC1)c1ccc(NC(=O)c2ccccc2)cc1 502009731 MUOUIEPROLPZDM-UHFFFAOYSA-N 399.494 4.576 0 40 GJAB CCOc1ccccc1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615159154 NSYWFNRPLDSZKO-SFTDATJTSA-N 396.506 4.887 0 40 GJAB O=S(=O)(c1cccc(Cl)c1)N1CCC(c2nc3ccccc3s2)CC1 1327442 LISAZRFTTDNSSC-UHFFFAOYSA-N 392.933 4.518 0 40 GJAB O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccnc1Cl 2627669 ALOBFLVMRHYHSA-UHFFFAOYSA-N 398.690 4.790 0 40 GJAB O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc(Cl)s1 3285433 VHWFWCWDHHRGJF-UHFFFAOYSA-N 381.935 4.840 0 40 GJAB FC(F)(F)c1cccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)c1 3285630 VDWBTLBCDSKEDK-UHFFFAOYSA-N 393.478 4.656 0 40 GJAB CCOc1ccc(OC[C@@H](O)CN(C)C(c2ccccc2)c2ccccc2)cc1 3436534 RWDLKBPDOWLMHQ-QFIPXVFZSA-N 391.511 4.546 0 40 GJAB C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCCCC2)cc1 4242707 WUHAMOHEQQVXFU-CYBMUJFWSA-N 392.908 4.576 0 40 GJAB O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccc(Cl)cc1 4644008 URBBQQAAHCFKMX-LICLKQGHSA-N 397.839 4.683 0 40 GJAB O=C1CCCCC[C@@H]1[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 4769849 KDRIXBWHNIATND-BKMJKUGQSA-N 399.490 4.724 0 40 GJAB CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 4848007 IHCBXVLUUCKEOH-JOCHJYFZSA-N 398.572 4.719 0 40 GJAB O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc(F)c(F)c1 4993869 OLZLDIQMCZDLRX-UHFFFAOYSA-N 399.378 4.645 0 40 GJAB O=C(Cc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 5264962 AIUXMRFOIJJOLZ-UHFFFAOYSA-N 377.444 4.606 0 40 GJAB CCCCn1nnnc1CSc1nnc(-c2ccc(F)cc2)c2ccccc12 5505179 UHGPMTKLPDFFED-UHFFFAOYSA-N 394.479 4.515 0 40 GJAB CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 5900273 VDVBRMLJBDBOGM-UHFFFAOYSA-N 391.905 4.639 0 40 GJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc2c(s1)CCCC2 6278054 NPGOJELZZIPWHC-UHFFFAOYSA-N 392.528 4.864 0 40 GJAB COc1ccc2c(c1)CCc1cc(C(=O)Nc3nnc(CC(C)C)s3)sc1-2 6508306 HQMGZFOMSVFZOU-UHFFFAOYSA-N 399.541 4.825 0 40 GJAB O=C(COc1ccccc1C(=O)O)Nc1ccccc1Sc1ccccc1 6509076 BUHCTICVALJSGY-UHFFFAOYSA-N 379.437 4.554 0 40 GJAB COc1ccc(CC(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 6607877 UUAYZCKMKFQAEM-RUZDIDTESA-N 399.446 4.886 0 40 GJAB O=C(COc1ccccc1)Oc1cc(-c2ccccc2)c2oc(=O)sc2c1 6809643 CHPPUCFNHGPTEC-UHFFFAOYSA-N 378.405 4.506 0 40 GJAB O=C(COc1ccc(Cl)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 7889508 HHABRLGKBWCFRC-AWEZNQCLSA-N 386.904 4.735 0 40 GJAB Cc1ccc(S(=O)(=O)CCC(=O)Oc2ccc3oc4ccccc4c3c2)cc1 8402826 YSADNUDHIXBNQO-UHFFFAOYSA-N 394.448 4.664 0 40 GJAB CC(C)CC[C@@]1(C)NC(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)C1=O 9386983 DAVSWXGYXLKADL-LJQANCHMSA-N 391.924 4.710 0 40 GJAB CCN(CC)C(=S)S[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 9387838 FAWKDVILEWMEQR-LLVKDONJSA-N 397.566 4.636 0 40 GJAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(c2c[nH]c3ccccc23)CC1 10225089 PFMOAYRYKQKYRC-CQSZACIVSA-N 383.442 4.653 0 40 GJAB O=C(CSc1nnc(-c2cccs2)o1)Nc1cc(Cl)cc(Cl)c1 12248843 GULBWKZLICIBCE-UHFFFAOYSA-N 386.285 4.836 0 40 GJAB Cc1ccn2cc(C(=O)Nc3c(-c4ccccc4)nc4cc(C)ccn34)nc2c1 12507586 ZSVBSWDLNBZSSN-UHFFFAOYSA-N 381.439 4.518 0 40 GJAB Cc1ccc(-c2nc(SCC(=O)NC3CC3)[nH]c2-c2ccc(C)cc2)cc1 12633452 HAFVRXPUZDCDHS-UHFFFAOYSA-N 377.513 4.731 0 40 GJAB COC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(C)c1 12793603 KVVCGGDVWRFHAN-UHFFFAOYSA-N 398.846 4.661 0 40 GJAB CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccco1 12918184 MXBZMLBPCAVTIN-UHFFFAOYSA-N 387.852 4.554 0 40 GJAB COc1ccc2cc(CNc3ccc(-c4nc5ccccc5[nH]4)cc3)c(=O)[nH]c2c1 13561300 FRMUSLJVHHHLKY-UHFFFAOYSA-N 396.450 4.692 0 40 GJAB CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1-c1cccc(F)c1 13956266 YEDFLLNJJGWJLF-UHFFFAOYSA-N 394.475 4.571 0 40 GJAB Cc1noc(C)c1C(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 14423552 YKQRFCSOFXCFBL-UHFFFAOYSA-N 375.380 4.592 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)Cn3c(C)cc4ccccc43)cc2)cs1 14701732 BGFNDPUPNABOFW-UHFFFAOYSA-N 389.524 4.741 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc4c(s3)CCC4)n2)cc1 15991576 RTKJFZFDNHIOGA-UHFFFAOYSA-N 383.498 4.571 0 40 GJAB COC(=O)c1ccc(COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)cc1 17245697 BZKZJMJLFBNXRD-QGZVFWFLSA-N 390.483 4.837 0 40 GJAB Cc1nn(-c2cc(C(F)(F)F)ccc2Cl)c2nc(C(F)(F)F)nc(O)c12 18207761 NTDRWURVZGQEHX-UHFFFAOYSA-N 396.678 4.521 0 40 GJAB CCN(C(=O)CC1CCCC1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 19712023 DRCWGRLATZMCHF-XZOQPEGZSA-N 393.531 4.793 0 40 GJAB C[C@@H](CCc1ccc(Cl)cc1)NC(=O)C1(c2cccc(F)c2)CCOCC1 19717457 YFLQHGYBVUBCPB-INIZCTEOSA-N 389.898 4.665 0 40 GJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 20030050 ZWMPLSDZHBKXRQ-UHFFFAOYSA-N 391.386 4.777 0 40 GJAB COCc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 23011590 CSQRLADSOADRSA-UHFFFAOYSA-N 375.428 4.729 0 40 GJAB c1ccc(-c2cc3c(NCc4ccc(-n5ccnc5)nc4)ncnc3s2)cc1 25043712 CKVBVLIBYHXMEM-UHFFFAOYSA-N 384.468 4.551 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1sc2cccc(Cl)c2c1Cl 27980212 ASMZYWNWMMLETN-UHFFFAOYSA-N 380.252 4.867 0 40 GJAB CCc1ccc([C@H](NCC(=O)N[C@@H](C)c2ccccc2)c2cccs2)cc1 29939441 LKICQLZRSSVPIC-SBUREZEXSA-N 378.541 4.867 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)CCc2nc(-c3cccs3)no2)CC1 31172005 AELMDTWCHCFMBD-UHFFFAOYSA-N 375.538 4.842 0 40 GJAB COc1ccccc1C(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32623154 WXVVRDAGANSNAS-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccco3)c3cnn(C(C)C)c3n2)s1 32879096 OYCLOZWPZZMCOW-UHFFFAOYSA-N 394.500 4.914 0 40 GJAB CN1C(=O)/C(=C/c2nn(Cc3ccccc3)cc2-c2cccnc2)c2ccccc21 33469891 GSFZNMRRVOHXNF-KGENOOAVSA-N 392.462 4.510 0 40 GJAB CCc1cccc(C)c1-n1nnnc1C1(Nc2ccccc2OC)CCCCC1 35622722 WBQYSVBBQQZWPT-UHFFFAOYSA-N 391.519 4.813 0 40 GJAB Cc1c(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)oc2c1C(=O)CCC2 40133862 ANTSOMVUDQWWAA-UHFFFAOYSA-N 388.395 4.761 0 40 GJAB CCOc1ccccc1OCCCC(=O)N1CCC[C@H]1c1ccc(OC)cc1 40160112 VSABIJACBKFISK-FQEVSTJZSA-N 383.488 4.617 0 40 GJAB COc1ccc(CSCC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 44840521 FHOIGEUXAKUANF-NRFANRHFSA-N 387.545 4.841 0 40 GJAB Cc1ccccc1[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1 44937743 ZDUIOJDFDAFESW-XMMPIXPASA-N 381.479 4.759 0 40 GJAB O=C(NC1CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078850 YXABQXMEUAWTOF-UHFFFAOYSA-N 396.918 4.996 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccnc3cc(-c4ccccc4)nn23)C1 57729164 IPGIOJSRWBNXGC-QGZVFWFLSA-N 378.476 4.511 0 40 GJAB COc1ccc([C@@H](NCC(=O)Nc2ccc(F)cc2Cl)c2ccccc2)cc1 58160449 QMVGOEGCICYEAD-QFIPXVFZSA-N 398.865 4.805 0 40 GJAB O=C([C@H]1CC(c2ccccc2)=NO1)N(Cc1cccs1)c1ccc(F)cc1 71184929 TZUDGGILQINAHI-HXUWFJFHSA-N 380.444 4.614 0 40 GJAB Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1ccc(Nc2ccccn2)cn1 72353199 YIDIBYUEDGTZRQ-QFIPXVFZSA-N 390.535 4.952 0 40 GJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)C12CCCCC2 79489753 BVEBBZSAMMMHRR-SFHVURJKSA-N 397.544 4.824 0 40 GJAB COc1cc(Br)cc(CO)c1OCc1ccc(C(F)(F)F)cc1 95427504 YUQYOSOHGBVFOB-UHFFFAOYSA-N 391.183 4.548 0 40 GJAB O=C(Nc1ccncc1N1CCCCC1)c1cc(Cl)ccc1Br 96013659 OFJRADYNGSULMQ-UHFFFAOYSA-N 394.700 4.740 0 40 GJAB O=C(Cc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119683 JKFFWXYGVUQIFL-UHFFFAOYSA-N 393.830 4.755 0 40 GJAB CCOc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c(C)cc1OC 100727358 SMDFUIRWMAZQNF-SFTDATJTSA-N 399.506 4.556 0 40 GJAB CC(=O)C(Sc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12)C(C)=O 101158416 RDFFCXUMAFQSAZ-UHFFFAOYSA-N 395.528 4.641 0 40 GJAB O=C(Nc1nc2ccccc2s1)[C@H]1C[C@@H]2C[C@@H]1[C@](F)(C(F)(F)F)C2(F)F 104813108 DFAPUXWLYQUGGJ-LVAGBLAWSA-N 394.340 4.797 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 223000475 RQVWSIAXHNMCMT-SFTDATJTSA-N 397.515 4.888 0 40 GJAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(I)cc2)cc1C 223403767 FDCJDNQCWQHEKG-CQSZACIVSA-N 393.268 4.707 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2cccc(CN3CCCCC3)c2)c1 224698753 ASZNDZGBYLGXQZ-UHFFFAOYSA-N 394.559 4.800 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(C)ccc3C)o2)c(OC)c1 224866480 BCVNIMRMWQWWLV-UHFFFAOYSA-N 380.444 4.547 0 40 GJAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225470517 DJVRSOLBIOCJFX-QGZVFWFLSA-N 381.545 4.669 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)N[C@@H](C)CC 225722094 ZRWRALKNXQMUHS-GUYCJALGSA-N 387.351 4.815 0 40 GJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225744867 BLCGXQAOZYSLNA-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB O=C(c1cccc2ccccc12)N1CCC(N2CCc3sccc3C2)CC1 238812810 ASIXBCXNBJSXJC-UHFFFAOYSA-N 376.525 4.564 0 40 GJAB COc1cccc([C@@H]2CCCN2Cc2ccc(-c3ccc(C(=O)O)c(O)c3)o2)c1 257253818 KAJRHJMQHKSVEV-FQEVSTJZSA-N 393.439 4.696 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)CCCOc2ccc(Cl)cc2)c1 408702955 KXMDAPWGIBEMPS-UHFFFAOYSA-N 382.243 4.578 0 40 GJAB C[C@@H](N[C@H](C)C1CC(F)(F)C1)c1nc(-c2ccc(Br)cc2)no1 529559970 ZPSBEABNQOCNTF-NXEZZACHSA-N 386.240 4.584 0 40 GJAB CCc1ccc([C@H]2CCCN(C(=O)C3CCC(OC[C@H]4CCCO4)CC3)C2)cc1 552123813 LFMDOBKIPGWEOF-UEUFPXFLSA-N 399.575 4.709 0 40 GJAB c1ccc(CCSCc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 1501039895 KCEFLMAVFORCEJ-UHFFFAOYSA-N 391.525 4.810 0 40 GJAB CCc1cccc(-c2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)n1 1615612603 IZPOAMAGHXVIBW-UHFFFAOYSA-N 388.402 4.752 0 40 GJAB Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)sc21 1382673 XCBUFOIZPKRXTL-UHFFFAOYSA-N 393.312 4.925 0 40 GJAB CCCCOC(=O)COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 1774622 OVTMORLGKYVNNL-UHFFFAOYSA-N 396.439 4.924 0 40 GJAB Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)cc1 2256082 SGSMWVCYVASRLN-DNQXCXABSA-N 392.462 4.799 0 40 GJAB Brc1ccc(-c2nnc(-c3cccc(Br)c3)o2)cc1 2287852 CVUFNIFPYIHHDP-UHFFFAOYSA-N 380.039 4.929 0 40 GJAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)c1 2917628 YWZYOXUOSFXSEL-UHFFFAOYSA-N 375.906 4.898 0 40 GJAB O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 3247834 SZTNTLXTBCSXLB-UHFFFAOYSA-N 380.827 4.959 0 40 GJAB Cc1c(C(=O)OCCOc2cccc(Br)c2)oc2ccccc12 3284538 ARONPQZIJNENPI-UHFFFAOYSA-N 375.218 4.740 0 40 GJAB C[C@H]1Sc2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2NC1=O 3371474 UECQDWAQHPJZBO-OAHLLOKOSA-N 388.492 4.962 0 40 GJAB Cc1ccc2nc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)sc2c1 3403566 BAAXKGJKMUDUMY-UHFFFAOYSA-N 390.390 4.612 0 40 GJAB O=C(CSCc1ccccc1)Nc1nnc(SCc2ccccc2)s1 4088026 MAUMRSQUHYRIAV-UHFFFAOYSA-N 387.555 4.702 0 40 GJAB COc1ccccc1-c1nnc(NC(=O)CCSc2ccc(Cl)cc2)o1 4496603 AMABOOCKNIETQW-UHFFFAOYSA-N 389.864 4.520 0 40 GJAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2S(=O)(=O)c1ccc(F)cc1 4727797 TUHDYWXTBIPWMW-AWEZNQCLSA-N 377.481 4.706 0 40 GJAB O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1C[C@@H]1CCCO1 5129770 SOPQHCBKFVKOFC-INIZCTEOSA-N 386.904 4.521 0 40 GJAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(COc2ccccc2)o1 5754351 SRKZYEFFWYENEN-UHFFFAOYSA-N 382.803 4.517 0 40 GJAB CCOC(=O)[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 6128663 JFFMTTUHXGEMTQ-GOSISDBHSA-N 379.485 4.541 0 40 GJAB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1cccc(Br)c1 6471252 MQCYDXUNSVOOHT-CAOOACKPSA-N 386.289 4.962 0 40 GJAB Cc1cc(C)c2c3ccccc3n(CCNC(=S)NC3CCCCC3)c2n1 6626695 RATUQEFOTYNJHU-UHFFFAOYSA-N 380.561 4.603 0 40 GJAB COc1ccccc1NC(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1 6840787 GJLVOEHTUGBGIV-HNNXBMFYSA-N 395.528 4.512 0 40 GJAB Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1I 6960194 JOHKODBIKPNYPW-UHFFFAOYSA-N 394.256 4.544 0 40 GJAB CCCCCCNCc1cc(Br)cc(Br)c1OC 7260985 SEJTYJIQTARISL-UHFFFAOYSA-N 379.136 4.890 0 40 GJAB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 7721221 OKGZJAXQMONZKN-UHFFFAOYSA-N 399.450 4.684 0 40 GJAB Cc1noc(C)c1CSc1nc2scc(-c3ccccc3)c2c(=O)n1C 7782152 OBVFZLJSVNZXQK-UHFFFAOYSA-N 383.498 4.559 0 40 GJAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 7881919 ZQQSIXSUFNELAO-CYBMUJFWSA-N 377.271 4.547 0 40 GJAB O=c1[nH]c(CN2CC[C@@H]3CCCC[C@@H]3C2)nc2scc(-c3ccc(F)cc3)c12 7900929 RKHJKQOCOWWYKD-GOEBONIOSA-N 397.519 4.803 0 40 GJAB COc1cc(C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccccc1 8112920 IPPOAAVQTZMXCJ-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(F)cc1 8186117 KLRHLPMGPBICBL-UHFFFAOYSA-N 387.842 4.509 0 40 GJAB COc1ccc(-n2c(SCc3cc(C)on3)nnc2-c2ccccc2)cc1 8725767 QZZUGYUBLYVMMZ-UHFFFAOYSA-N 378.457 4.532 0 40 GJAB COc1ccc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)c(OC)c1 8747539 GYHYZEGRMYQJES-UHFFFAOYSA-N 386.451 4.964 0 40 GJAB COc1cccc(-c2nc(COC(=O)c3ccc4ncsc4c3)cs2)c1 8940057 VRJNCZILTOCKFF-UHFFFAOYSA-N 382.466 4.785 0 40 GJAB CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3)c3ccccn23)cc1 9316521 ITAWBPFMFWCRRY-UHFFFAOYSA-N 397.478 4.876 0 40 GJAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(C)c(Cl)ccc3s2)on1 12422312 KAESMOIMEHPYKO-UHFFFAOYSA-N 398.875 4.797 0 40 GJAB O=C(NCCSCc1ccco1)c1cc(-c2cccnc2)nc2ccccc12 12553043 MIXXRZGVUWMQEM-UHFFFAOYSA-N 389.480 4.553 0 40 GJAB CC(=O)Nc1ccc(-c2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1 12870961 KCFAQXBCFQNUEK-UHFFFAOYSA-N 377.469 4.562 0 40 GJAB Cc1ccccc1[C@@H](C)N[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12945577 AJXBUIBBQLZNBW-ZIAGYGMSSA-N 379.485 4.965 0 40 GJAB Cc1nn(-c2ccc(C(=O)Nc3cccc4cccnc34)cc2)c(C)c1Cl 14095752 FBMMJJQHNBOBDH-UHFFFAOYSA-N 376.847 4.943 0 40 GJAB Cc1ccc(OC[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c(C)c1 15860777 SJTXGISMMJDFDI-OAQYLSRUSA-N 386.495 4.684 0 40 GJAB Fc1ccc2[nH]cc(CCNC(=S)Nc3ccc(C(F)(F)F)cc3)c2c1 17077918 PZYXYQOWSIRJFM-UHFFFAOYSA-N 381.398 4.855 0 40 GJAB COc1ccccc1CN1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 19574891 WLNPAAUNSGIRDR-MZMPZRCHSA-N 394.441 4.536 0 40 GJAB CCN(Cc1ncc[nH]1)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 19711930 JNKMYJWONYAVBV-WMZHIEFXSA-N 391.515 4.828 0 40 GJAB CCCc1nnc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)n1CC 20034026 OUOCABQDCZPNFO-UHFFFAOYSA-N 398.319 4.900 0 40 GJAB Cc1ccc([C@@](O)(CCNc2ncnc3c2oc2ccccc23)C(F)(F)F)o1 22751607 NGCRHSXWCOGAEQ-SFHVURJKSA-N 391.349 4.530 0 40 GJAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 27662186 BSWSKCMQIXIINZ-FQEVSTJZSA-N 386.923 4.696 0 40 GJAB O=C(Nc1cccc(CN2CCCC2=O)c1)C1c2ccccc2Oc2ccccc21 30128679 ZLLUNBPFRARYEI-UHFFFAOYSA-N 398.462 4.685 0 40 GJAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1ccccc1Cc1ccccc1 30973670 LVXZDHRXUYBLPQ-UHFFFAOYSA-N 389.480 4.960 0 40 GJAB O=C(c1cccs1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1 31164919 AGQOZHYITRQVEV-UHFFFAOYSA-N 386.517 4.574 0 40 GJAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)Cc1ccc(Cl)cc1 32609851 QFSMIRXKGQKOPX-UHFFFAOYSA-N 387.842 4.510 0 40 GJAB CCCn1nnc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)n1 32617114 AQKZXNTWCRHNPV-UHFFFAOYSA-N 392.290 4.581 0 40 GJAB CCN(CC)Cc1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1 32833362 CGCJXKSWAQBMDN-OAHLLOKOSA-N 389.337 4.782 0 40 GJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(C(C)C)c(OC)cc1C 33608865 KOUGPZNKOGKYRE-IBGZPJMESA-N 386.517 4.895 0 40 GJAB c1ccc(Cn2ccnc2CSc2nnc(Nc3ccccc3)s2)cc1 40067306 BCDIZLWJQZIHKX-UHFFFAOYSA-N 379.514 4.819 0 40 GJAB COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@@H](C)c1cc(C)sc1C 40121094 OXJBFEJZYAEPDL-AWEZNQCLSA-N 389.517 4.613 0 40 GJAB Cc1cccc(Cc2cnc(NC(=O)c3oc4c(c3C)C(=O)CCC4)s2)c1 40130942 HLFHLYJIJWPJOT-UHFFFAOYSA-N 380.469 4.715 0 40 GJAB Cc1cccc(CNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 44912351 IEHKTRWCHODNIO-UHFFFAOYSA-N 391.342 4.830 0 40 GJAB C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 45261114 TXQDELCVFOGXQW-LBPRGKRZSA-N 395.833 4.542 0 40 GJAB Fc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)o1 49170578 JKCOJVGGZTXHEY-AWEZNQCLSA-N 391.368 4.884 0 40 GJAB biogenic,in-vitro COc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(Oc2ccccc2)cc1 58175408 WWCRSTVOZZCPIR-QGZVFWFLSA-N 376.456 4.777 0 40 GJAB O=C(CCSc1ccccc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635445 ZGQQSLAQMALADH-SFHVURJKSA-N 395.446 4.788 0 40 GJAB O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccc(O)c(Cl)c1)CC(O)=N2 71279177 AYBNHMFODADGQP-CYBMUJFWSA-N 375.856 4.554 0 40 GJAB O=C(c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1)C1CCCCC1 80340467 CFIIKAAJUYDGHM-UHFFFAOYSA-N 394.490 4.551 0 40 GJAB O=C(NCc1ccc(Cl)cc1)NCc1ccc(C(=O)c2cccs2)s1 90610611 WHKNGBPEMOSOOI-UHFFFAOYSA-N 390.917 4.693 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc2ccccc12 222879205 HGHHFZJZWJPCMU-AWEZNQCLSA-N 384.273 4.686 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1Cc1ccccc1 223370325 MLSIKUKYPREDJY-MSOLQXFVSA-N 385.945 4.969 0 40 GJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 223851162 FHLNZIBDLKSZHU-CYBMUJFWSA-N 387.892 4.881 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)[nH]1 224860809 FIAJJZUUHYFSLD-OALUTQOASA-N 398.919 4.563 0 40 GJAB Cc1cccc(CSCCNC(=S)Nc2cccc(Br)c2)c1 225336569 NYERXSNRKKVEKC-UHFFFAOYSA-N 395.391 4.977 0 40 GJAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 225378471 MKEJXWQMAJMSAR-NSHDSACASA-N 388.316 4.604 0 40 GJAB S=C(NCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(Cl)cc1 225820270 KEILZIHJYWABDI-UHFFFAOYSA-N 379.272 4.530 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3ccccc3)CCCC2)c1 225861734 ODKXPLILZZXFST-UHFFFAOYSA-N 388.920 4.883 0 40 GJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260816719 NSTWCSJPGHITCT-WMZHIEFXSA-N 390.568 4.721 0 40 GJAB O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 408613646 ZFPZBIHMXUNCIZ-VWLOTQADSA-N 382.507 4.626 0 40 GJAB Cc1ccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c(C)c1 408624812 CAJGPTQOPLRYOK-UHFFFAOYSA-N 386.451 4.807 0 40 GJAB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1cccc(Cl)c1 409158964 YSXJGGILIWBFFK-BAGULLTOSA-N 398.871 4.571 0 40 GJAB O=C(/C=C/c1ccccc1)N1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 585292354 LBQPBJOVOYGLQG-IBUXMESJSA-N 398.510 4.715 0 40 GJAB CCN(Cc1nnc(-c2ccco2)o1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 662158662 WTKVDRXTUMQCHU-CYBMUJFWSA-N 379.382 4.802 0 40 GJAB O=C1/C(=C/c2cccs2)C(O)=NC(=S)N1c1cc(Cl)cc(Cl)c1 1178467 WEUKAZHFIQCUKB-KPKJPENVSA-N 383.281 4.727 0 40 GJAB Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 2432982 LZDQVJJPJLMKHX-SFHVURJKSA-N 388.448 4.616 0 40 GJAB O=C(OCc1ccc(Br)cc1)c1c2c(nc3ccccc13)CCC2 3318209 CDVHKPPSVGFTPC-UHFFFAOYSA-N 382.257 4.843 0 40 GJAB CCOc1cccc2sc(NC(=O)c3ccccc3Br)nc12 4031678 JWLIXYWMCXVRSD-UHFFFAOYSA-N 377.263 4.710 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1 4086584 SBFGQXRBVSMJIB-UHFFFAOYSA-N 391.905 4.501 0 40 GJAB O=C(C[C@@H](Sc1ccc(Br)cc1)C(=O)O)c1ccc(Cl)cc1 4118559 VXTHNDXOCYFEOY-OAHLLOKOSA-N 399.693 4.921 0 40 GJAB CCc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 4699214 AJBYZIWEUGPLIO-MSOLQXFVSA-N 383.293 4.749 0 40 GJAB COc1ccccc1CNC(=O)c1cc2sccc2n1Cc1ccccc1 4971032 ULRPQKHTIWLGQN-UHFFFAOYSA-N 376.481 4.690 0 40 GJAB Cc1cccc(N2CCN(C(=O)[C@H](C)Sc3ccc(Cl)cc3)CC2)c1C 5392514 QQSLEAVHUILXPA-KRWDZBQOSA-N 388.964 4.786 0 40 GJAB O=S(=O)(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccc2ccccc2c1 6133812 IXPUGJOWZJNJMV-UHFFFAOYSA-N 399.475 4.955 0 40 GJAB Cc1sc(NC(=O)c2cnc3ccccc3n2)nc1-c1ccc(F)c(F)c1 6648216 ZACQIERMWFCWFO-UHFFFAOYSA-N 382.395 4.592 0 40 GJAB CN(Cc1cccc(F)c1)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 7900913 JGTJLJALDRUZCT-UHFFFAOYSA-N 397.450 4.562 0 40 GJAB Cc1cc(NC(=O)COC(=O)c2cccc(Cl)c2)c(C)cc1Br 7939895 ZWHXGUDCZUHLOM-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB O=C(CSc1nc2c3ccccc3ncn2n1)c1ccc(Cl)cc1Cl 8264061 ZVFXDLNEVATQDV-UHFFFAOYSA-N 389.267 4.559 0 40 GJAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cnc(Cl)c(Cl)c1 9449205 RRHDQSQLPLOSGU-UHFFFAOYSA-N 378.240 4.657 0 40 GJAB Cc1ccc(SCCNC(=O)c2cc(Br)ccc2Cl)cc1 9888980 HWMSLVMJENXIGN-UHFFFAOYSA-N 384.726 4.933 0 40 GJAB COc1ccc2cc(CNC(=O)c3cc4ccc(OC)cc4nc3C)ccc2c1 9942589 ACHHPEAFWCBRNE-UHFFFAOYSA-N 386.451 4.644 0 40 GJAB O=C(/C=C/c1ccc2ccccc2n1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10545267 ZXFDTUGAPTYJEB-JKGDOXCYSA-N 382.467 4.531 0 40 GJAB Cc1ccc(-c2csc(NC(=O)C[C@H](C)NC(=O)c3ccccc3)n2)cc1C 11808895 ACSTXXFZFPIYLF-INIZCTEOSA-N 393.512 4.574 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC=CC[C@@H]4C(=O)O)cc3)sc2c1 12649966 VVRPUWRAIBUXRZ-SJORKVTESA-N 392.480 4.877 0 40 GJAB O=C1CN(C(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2N1 13687808 IISZDUBHJIXVOK-UHFFFAOYSA-N 392.842 4.518 0 40 GJAB O=C(CSCc1cccc(Cl)c1)Nc1nnc(-c2ccccc2)s1 18702980 BLBJJXPVKACLGJ-UHFFFAOYSA-N 375.906 4.730 0 40 GJAB Cc1cccc(O[C@H](C)c2nnc(NC(=O)c3cc(C(C)C)on3)s2)c1C 19235696 XLXGGAUSSNYEMN-CYBMUJFWSA-N 386.477 4.659 0 40 GJAB O=C(CC1CCN(Cc2ccccn2)CC1)Nc1ccc(OC2CCCC2)cc1 19748165 XPSAPPVSJJIDJR-UHFFFAOYSA-N 393.531 4.644 0 40 GJAB Cc1nc([C@@H]2CCCCN2Cc2ccccc2)ncc1C(=O)Nc1ccccc1 19755837 HGLALIAOWAHXQY-QFIPXVFZSA-N 386.499 4.765 0 40 GJAB O=C(O)c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1Cl 20137809 UXHFTAVFBSRWNX-UHFFFAOYSA-N 389.032 4.706 0 40 GJAB COc1ccc(C)cc1NC(=O)CSCc1cccc(Br)c1 20238314 LBYMSKZECWREIG-UHFFFAOYSA-N 380.307 4.638 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1 20452959 HWAISUSDMGXSNL-UHFFFAOYSA-N 395.506 4.896 0 40 GJAB COc1ccc2nc(NC(=O)c3cccnc3Oc3ccccc3)sc2c1 25402957 NJNKJFWZCYAJFA-UHFFFAOYSA-N 377.425 4.745 0 40 GJAB Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)cc1 27851352 LGUOCGUVDDCKII-HUUCEWRRSA-N 382.451 4.898 0 40 GJAB Cc1sc(=O)n(CC(=O)Oc2ccc3ccccc3c2)c1-c1ccc(F)cc1 40128351 IYFQQZABPMYRRL-UHFFFAOYSA-N 393.439 4.783 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(Cl)cc2)c(OC)c1 40288564 QOPNIRHUZOHIIL-OAHLLOKOSA-N 383.835 4.667 0 40 GJAB C[C@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3ccccc3)c2c(=O)[nH]1 40388416 YTBVVSRQAXRYNG-PCUGXKRQSA-N 380.451 4.571 0 40 GJAB CCN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1cccc(C)c1 40478308 HCQDUESMUZEARZ-UHFFFAOYSA-N 384.277 4.814 0 40 GJAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(OC(C)C)cc4)no3)CC2=O)c(C)c1 44435389 WRFONXJTQQPUIB-SFHVURJKSA-N 391.471 4.661 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccccc2)CC1 44855370 HPSABWCOEOQMET-JOCHJYFZSA-N 392.543 4.626 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(Cl)c(C)c2)cc1 44949029 BVBSQEGSAUFXHM-HXUWFJFHSA-N 375.896 4.939 0 40 GJAB COC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)c(C)c1 49004479 SDUVOZTWWGNVFI-UHFFFAOYSA-N 386.249 4.539 0 40 GJAB COCCOc1c(Cl)cccc1NC(=O)COc1ccc(C(C)C)cc1 58003079 LOOAYTBKXTZHRM-UHFFFAOYSA-N 377.868 4.506 0 40 GJAB O=C(NC(=S)Nc1cccnc1Cl)c1cccc2c(Cl)cccc12 59294579 YSDGDIGGVFREBU-UHFFFAOYSA-N 376.268 4.668 0 40 GJAB Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 60920047 SRIAAKPGJWGXEI-UHFFFAOYSA-N 378.394 4.632 0 40 GJAB COc1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1OC(F)F 68960856 CZUPWMKEXDUSPZ-UHFFFAOYSA-N 376.186 4.533 0 40 GJAB CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)NC2CCCC2)sc2ccccc12 72370810 CIWFGQMSEAWKIA-SFHVURJKSA-N 398.572 4.907 0 40 GJAB CC(C)(C)OC(=O)N1CCCC[C@H]1CSc1cccc(Br)n1 83323385 SISNUJNWHZSMAF-LBPRGKRZSA-N 387.343 4.726 0 40 GJAB O=C([C@H]1C[C@H]1c1ccc(Br)cc1)N(Cc1ccsc1)C1CC1 84393385 IPQSPOLDTAEONN-IRXDYDNUSA-N 376.319 4.805 0 40 GJAB O=S(=O)(Nc1c(Cl)cc(Cl)cc1Br)c1ccccc1 84846895 UYPWKTWHHVRHIG-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB O=C(O)c1ccc([C@@H]2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1 95353859 WXAFXWUEFAOFDD-HXUWFJFHSA-N 375.424 4.665 0 40 GJAB Cc1c(-c2nnc3sc(CN(C)Cc4ccccc4)nn23)oc2ccccc12 96194444 KYAYOBGUYLNGFD-UHFFFAOYSA-N 389.484 4.539 0 40 GJAB CC(C)(C)[C@H]1CCc2onc(C(=O)NCCc3ccc(C(F)(F)F)cc3)c2C1 141543451 BUKVIHWEIVFHTL-HNNXBMFYSA-N 394.437 4.817 0 40 GJAB COc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 215150932 VKSOHLNVALRKSJ-CXUHLZMHSA-N 377.824 4.724 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCOc2ccccc2Cl)c1 222667199 FHINRKKYWCIQRG-MRXNPFEDSA-N 375.896 4.734 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)c1 222689016 VYVLAVGYAYIVED-SFHVURJKSA-N 391.515 4.696 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 222775911 TVPVEJLOYLDSPB-OALUTQOASA-N 382.920 4.518 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225167324 CCABAMSIYJBDAN-GOSISDBHSA-N 384.501 4.748 0 40 GJAB COc1ccccc1OC[C@@H](C)NC(=O)CCc1c(Cl)cccc1Cl 225363494 NTZDXUGCDISCLY-CYBMUJFWSA-N 382.287 4.518 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 225736120 PGOLYNGTWSNOLT-SFHVURJKSA-N 397.500 4.627 0 40 GJAB COc1ccccc1Oc1ccc(NC(=S)NCCCc2ccccc2)cn1 408588071 XCFCQDKMCZBGBS-UHFFFAOYSA-N 393.512 4.802 0 40 GJAB CN1CCC[C@H]1CCSc1nc(O)c2c(-c3ccc(F)cc3)csc2n1 534607358 URZYLYICHDRJJK-AWEZNQCLSA-N 389.521 4.779 0 40 GJAB Cn1c(-c2ccccc2OCc2cccnc2)nc2c(Br)cccc21 536849658 CLTSSNLFXMTYEF-UHFFFAOYSA-N 394.272 4.977 0 40 GJAB Cn1ncc(C2CC2)c1C(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 668008317 TXVBIILLYPCZBZ-UHFFFAOYSA-N 396.491 4.614 0 40 GJAB CCOC(=O)c1coc(-c2ccc(OCc3ccccc3)c(OC(C)C)c2)n1 1857794292 XKFGHDQFWCUYRZ-UHFFFAOYSA-N 381.428 4.885 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)NCc4ccccc4Cl)c(N)c3cc2C1 661887 RNCFVPVQGJGUJX-GFCCVEGCSA-N 399.947 4.977 0 40 GJAB Clc1nc(NCc2ccco2)nc(Nc2nc(-c3ccccc3)cs2)n1 843965 QXBRDSHBXPWOCJ-UHFFFAOYSA-N 384.852 4.597 0 40 GJAB COc1c(-c2ccccc2)cc(S(=O)(=O)N2CCCC2)cc1-c1ccccc1 2259115 SVQUYPGLHSDXLN-UHFFFAOYSA-N 393.508 4.814 0 40 GJAB COc1ccc(C)c2sc(NC(=O)c3ccccc3Br)nc12 2713893 CQOMMBRJCVCSIP-UHFFFAOYSA-N 377.263 4.628 0 40 GJAB CCCCc1ccc(-c2csc3c2C(=O)N[C@@H](c2cnn(C)c2C)N3)cc1 2772108 ZHWJHOXCGKDAMV-LJQANCHMSA-N 380.517 4.654 0 40 GJAB C[C@H]1CCc2c(sc3ncnc(OCC(=O)c4ccc(Cl)s4)c23)C1 3312549 BBSRGYVLCVGULC-VIFPVBQESA-N 378.906 4.793 0 40 GJAB CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccs3)sc2c1 4273176 GFLDZKSSEHAHCL-UHFFFAOYSA-N 395.509 4.999 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc2c(c1)CCCC2 4275387 UTSQLLMSBNEKMX-UHFFFAOYSA-N 392.480 4.712 0 40 GJAB Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1C 4697298 CVIGJCRAGCWXSN-PVTAMDAMSA-N 388.511 4.936 0 40 GJAB CCCCN1C(=O)[C@@](O)(CC(=O)c2cc(C(C)C)ccc2C)c2ccccc21 4724194 ASTULDOQMNNDSI-XMMPIXPASA-N 379.500 4.726 0 40 GJAB CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccoc1C 4860726 KQBWEPPMGCINHN-UHFFFAOYSA-N 384.505 4.604 0 40 GJAB Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5164294 VVUPZNIMWNJEHN-CVDCTZTESA-N 388.398 4.797 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3)cc2)cc1 5611005 XAZRRGIKOHMZDK-QGZVFWFLSA-N 387.435 4.740 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 6112325 HBJWVGAIFOKILN-UHFFFAOYSA-N 389.933 4.873 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Cl)ccc1OC 6243090 ACBMBXVKQSYNRB-GFCCVEGCSA-N 376.909 4.989 0 40 GJAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 6569799 XMAMPCUJLVJXCS-UHFFFAOYSA-N 397.544 4.593 0 40 GJAB COc1ccc(C(=O)CSc2nc(C)c(C)n2C2CCCCC2)c(OC)c1 6589530 XNBHLCNGBOEWJJ-UHFFFAOYSA-N 388.533 4.997 0 40 GJAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3)c3ccccn3)oc2c1C 6660625 PULQNIHURPKJML-UHFFFAOYSA-N 384.435 4.652 0 40 GJAB CCN(CC)CCCNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 6937704 LUCYNUYJFVKKCS-UHFFFAOYSA-N 395.576 4.776 0 40 GJAB CSc1cccc2sc(N(CCN(C)C)C(=O)c3cccc(C)c3)nc12 7599570 AWPAONNIMFGMFW-UHFFFAOYSA-N 385.558 4.535 0 40 GJAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1C1CC1 7618355 QNXZVQPHHBMFTM-HNNXBMFYSA-N 392.528 4.962 0 40 GJAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 7848235 OUUPTKUTLWAFBO-GFCCVEGCSA-N 392.286 4.559 0 40 GJAB COc1ccc2oc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)c(C)c2c1 8062697 DZMFVOJSIPXTJX-MRXNPFEDSA-N 385.485 4.633 0 40 GJAB COc1ccc2cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)ccc2c1 8186486 FLNAQYRDCVEXEV-NRFANRHFSA-N 389.451 4.597 0 40 GJAB COc1ccc2nc(SCC(=O)N[C@H](C)c3ccc4ccccc4c3)[nH]c2c1 8758392 KQGMVAUNVDJPIA-CQSZACIVSA-N 391.496 4.694 0 40 GJAB O=C(NC1CC1)[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 8943460 AGQAPLISDIIEJT-AWEZNQCLSA-N 386.826 4.866 0 40 GJAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccn4)cc3c2C)cc1 9576524 DPNTYLGVFRCGLE-UHFFFAOYSA-N 386.407 4.628 0 40 GJAB CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccncc1 10387995 BNLVIHWMXBIVBH-UHFFFAOYSA-N 379.514 4.776 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@H]1c1cnn(C)c1 12119522 AWMGVDAYNMBQPC-SFHVURJKSA-N 398.894 4.794 0 40 GJAB CCCc1noc([C@@H](C)Sc2nccn2-c2ccc(Br)cc2)n1 12525462 JDDIOSUZKAUJSQ-LLVKDONJSA-N 393.310 4.824 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)n(C[C@@H]2CCCO2)c1C 12552999 HLNNMTOJOPSXPO-YOEHRIQHSA-N 378.925 4.696 0 40 GJAB Cc1cc(NC(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)no1 12561638 BHAULMSKJGXTFN-OAHLLOKOSA-N 375.432 4.547 0 40 GJAB Cc1c(C(=O)N[C@@H](c2ccccc2)c2nccn2C)oc2c(Cl)cccc12 12627298 FVZRDTWMOVJJHO-KRWDZBQOSA-N 379.847 4.648 0 40 GJAB CC(C)c1noc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)n1 12744303 UQZYXIUMXYOFDV-UHFFFAOYSA-N 391.500 4.657 0 40 GJAB C[C@]1(C(=O)Nc2nc(-c3ccccc3Cl)cs2)Cc2ccccc2C(=O)O1 12906520 GTKKWTYLEZALAU-HXUWFJFHSA-N 398.871 4.574 0 40 GJAB Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccco2)c1 13750662 KVNOFXCKEFMXCH-UHFFFAOYSA-N 386.451 4.893 0 40 GJAB Cc1sc2nc(COC(=O)c3cc4c(s3)CCCCC4)nc(N)c2c1C 14075162 NIMRMZIFHMGIBC-UHFFFAOYSA-N 387.530 4.578 0 40 GJAB Cc1nn(C)c(C)c1/C=C/C(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 14182952 PWRUWYVYNXCXGE-ZRDIBKRKSA-N 383.879 4.622 0 40 GJAB Cc1cc(Br)cc(Br)c1NC(=O)NC1CCCCC1 16269469 RSPWRYUHJWEXFO-UHFFFAOYSA-N 390.119 4.974 0 40 GJAB Cc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3cccc(C)c3)cs2)cc1 17939830 NPKUJQGUOXOSBQ-OAHLLOKOSA-N 380.469 4.611 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)no2)cc1 19715067 OHVJBUTVXAJTHY-UHFFFAOYSA-N 376.391 4.536 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Oc3cccc(Br)c3)no2)cc1 21786647 FLEOOBSMJZXOJP-UHFFFAOYSA-N 388.217 4.722 0 40 GJAB Clc1cccc(-c2ccc(CNCCc3nnc4ccccn34)o2)c1Cl 21866274 AHSXCHJMKCJTQV-UHFFFAOYSA-N 387.270 4.628 0 40 GJAB CCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCCC2)cc1 27584489 WTFGWQDIFHOEJO-HSZRJFAPSA-N 380.532 4.741 0 40 GJAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(COc3ccccc3Br)o2)C1 27971096 QNCHGEQPRDOGNC-ZIAGYGMSSA-N 392.293 4.739 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccnn2Cc2ccccc2)c1 28291334 RCJJILXARBGJOI-GOSISDBHSA-N 377.488 4.769 0 40 GJAB Cc1ccc(CN(CCc2ccccc2)C(=O)c2cnc3onc(C)c3c2)s1 31001696 NAFAXZLJCKTKPN-UHFFFAOYSA-N 391.496 4.786 0 40 GJAB C[C@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)c1nc(C(C)(C)C)no1 31784111 SJRQVCDAAMSUIR-LBPRGKRZSA-N 396.516 4.661 0 40 GJAB Cc1cc(F)ccc1NC(=O)c1sc2nc(C(F)(F)F)cc(C)c2c1N 32117839 UBPDYFRYNRLYMT-UHFFFAOYSA-N 383.370 4.906 0 40 GJAB O=C(NCCc1ccc(Cl)cc1)C1CCN(c2nc3ccccc3s2)CC1 35313164 ZOZDGFKXNYIQJA-UHFFFAOYSA-N 399.947 4.525 0 40 GJAB COc1ccc([C@H]2CCCN2C(=S)Nc2ccc(F)cc2F)cc1OC 40040166 ZMGIZVYKIRUEBF-MRXNPFEDSA-N 378.444 4.516 0 40 GJAB COC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1C 44949784 QDGYSRNJQBULHD-UHFFFAOYSA-N 398.311 4.960 0 40 GJAB CCc1ccsc1C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 60168062 COUHSNPTRHDLJF-UHFFFAOYSA-N 384.467 4.533 0 40 GJAB Cc1cccc(C)c1-n1nnnc1CSCc1ccccc1C(F)(F)F 60520977 FXUMTMLNSZIQHC-UHFFFAOYSA-N 378.423 4.731 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3OC)o2)cc1 63887915 UWZBNSZDTPWFQJ-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB CCC(CC)C(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2ccncc2)CC1 100738814 SOYUJSKROBMCBS-MSEWRSJXSA-N 380.536 4.673 0 40 GJAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718334 ZENFGGOOGWCIHO-CYBMUJFWSA-N 377.271 4.547 0 40 GJAB O=C1O[C@]2(CCCN(C(=O)c3ccc(-c4ccsc4)cc3)C2)c2ccccc21 211111861 DNKXEEBUDDGWOW-QHCPKHFHSA-N 389.476 4.717 0 40 GJAB CC(C)c1ccc(OCC(=O)NCCSC(C)(C)C)c(Br)c1 218871299 KDBGUSKIXMCQCF-UHFFFAOYSA-N 388.371 4.599 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 222929454 XSBGCJJDIDYZOE-LEWJYISDSA-N 376.529 4.501 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1C 223013675 UPJSZJGDQTUWGE-GOSISDBHSA-N 375.852 4.540 0 40 GJAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(OC)cc1 224601790 FMNLIWOZUWCLAH-UHFFFAOYSA-N 383.488 4.545 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1C1CCCC1 225030495 VWWXEJCEGRJHJC-FCHUYYIVSA-N 388.540 4.787 0 40 GJAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2F)c(C)c1 225169338 WYGKZRSLZDMJGB-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 225378443 MKEJXWQMAJMSAR-LLVKDONJSA-N 388.316 4.604 0 40 GJAB CCOc1ccccc1NC(=S)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 225681537 GSGDSRUADPWZMH-KRWDZBQOSA-N 386.517 4.683 0 40 GJAB Cc1ccc(-c2nnsc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1 225775358 KMKLADKJWKEFRY-UHFFFAOYSA-N 377.513 4.608 0 40 GJAB OCc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226340674 LGASVMQNMCWWCG-UHFFFAOYSA-N 380.040 4.966 0 40 GJAB Cc1ccc2c(c1)OC1(CCN(Cc3cccc(O)c3)CC1)[C@H]1CCCO[C@H]21 257326017 WVLCTJBUYOQVES-JTHBVZDNSA-N 379.500 4.596 0 40 GJAB O=C(Nc1ccc(I)cc1F)c1ccc2ccccc2c1 408624509 XKPGYYLYGBJENE-UHFFFAOYSA-N 391.183 4.836 0 40 GJAB O=C(Nc1cccc2ccccc12)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408642299 NXOBHLKBWMUPBO-LJQANCHMSA-N 380.447 4.985 0 40 GJAB O=C(NCC[C@@H](CCO)c1ccsc1)C1(c2ccc(Cl)cc2)CCCC1 575606821 JTBFHYMNSUAHIP-INIZCTEOSA-N 391.964 4.886 0 40 GJAB O=C(/C=C/c1ccccc1)N1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 585291491 CXTVMBIAPDBZPG-DXRVJIQQSA-N 390.512 4.701 0 40 GJAB CSc1ccc(O[C@@H](C)C(=O)Nc2ccccc2Sc2ncccn2)cc1 1616353094 SQIVLHFEOUSZCI-AWEZNQCLSA-N 397.525 4.756 0 40 GJAB Cc1cc(C)nc(SCc2nnc(SCc3ccccc3Cl)o2)n1 925081 QYKYLFJKDRCVPJ-UHFFFAOYSA-N 378.910 4.714 0 40 GJAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1C(C)(C)C 2274932 YUHMWBGGGBZGNL-FQEVSTJZSA-N 399.878 4.591 0 40 GJAB C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 3443335 ANKHGFUNSXDGDI-MRXNPFEDSA-N 390.439 4.689 0 40 GJAB Cc1cc(C)cc(C(=O)Oc2coc(CSc3nc(C)cs3)cc2=O)c1 4518815 SCYFGSHSFZMGTM-UHFFFAOYSA-N 387.482 4.533 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C1CCCCC1)CC2 4933015 WTQQTAZJIOXANK-OAQYLSRUSA-N 385.529 4.820 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 5256093 HHUHHARVLVVHFZ-FQEVSTJZSA-N 395.846 4.507 0 40 GJAB COc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810572 GATHRBSCJJTELI-UHFFFAOYSA-N 385.847 4.549 0 40 GJAB COc1cc(CNCCc2ccc(F)cc2)ccc1OCCc1ccccc1 7540142 QMJUZDONLOAQEN-UHFFFAOYSA-N 379.475 4.788 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(Cl)c1F 7783241 RBOJQOMTYUYQNG-UHFFFAOYSA-N 378.234 4.938 0 40 GJAB Cc1cc(C)cc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 7928808 GVYWEKRFGVJMII-ZDUSSCGKSA-N 378.255 4.569 0 40 GJAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N3CCc4ccccc4C3)cc2s1 9547670 PBAFFMVAENRBQM-UHFFFAOYSA-N 387.508 4.902 0 40 GJAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N(C)Cc3ccc(C)o3)sc2n1 9945593 ODGUWINPTWNGOZ-UHFFFAOYSA-N 379.485 4.877 0 40 GJAB O=C(c1ccc2[nH]cnc2c1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235684 LXNROANCRPGWBJ-UHFFFAOYSA-N 396.903 4.846 0 40 GJAB CC(=O)Nc1ccc(C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)s1 11109465 JSLOUUMMZUJXHS-UHFFFAOYSA-N 399.468 4.602 0 40 GJAB Cc1cccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)c1 12441761 ANPPDCXPGFSLLT-UHFFFAOYSA-N 388.496 4.794 0 40 GJAB O=C1c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1C[C@H]1CCCO1 12561368 CUNBTPZMVIMVTF-XIKOKIGWSA-N 377.271 4.739 0 40 GJAB c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12561620 PHMJPMIGDXMVJO-HYBUGGRVSA-N 384.435 4.700 0 40 GJAB COc1ccc2oc(C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)c(C)c2c1 12602431 DIRKWMGCLLFNIL-OAHLLOKOSA-N 389.455 4.646 0 40 GJAB Cc1cccc(N2CCN(C(=O)c3cc4c(s3)-c3ccccc3CC4)CC2)c1 12615692 DMOQYNLZEGUTNL-UHFFFAOYSA-N 388.536 4.785 0 40 GJAB Cc1cccn2cc(COC(=O)c3c4c(nc5ccccc35)CC[C@H](C)C4)nc12 12629373 IODVWLLGFYOIGO-HNNXBMFYSA-N 385.467 4.673 0 40 GJAB COc1cc(C)c(NC(=O)c2cccc(OCc3csc(C)n3)c2)cc1OC 12786441 BIQWXASGDADLMG-UHFFFAOYSA-N 398.484 4.608 0 40 GJAB CCCn1c(=O)n(CCC(=O)Nc2cccc(Cl)c2Cl)c2ccccc21 12894145 YKYNCKMSJGWYMT-UHFFFAOYSA-N 392.286 4.549 0 40 GJAB COc1ccc(-c2nnc3sc(COc4ccc5ccccc5c4)nn23)cc1 13956909 OHSUXLNOVHAPAF-UHFFFAOYSA-N 388.452 4.594 0 40 GJAB Cn1c(C[C@@H](NC(=O)c2cccc(Cl)c2)c2ccccc2)nc2ccccc21 14129773 UIRVYNSPZSOFSA-HXUWFJFHSA-N 389.886 4.941 0 40 GJAB Cc1ccc(C)c(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c1 15860778 DSBPFZFPTYHPCD-NRFANRHFSA-N 386.495 4.684 0 40 GJAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)o1 15881475 SHUNQXHVWLCQOH-UHFFFAOYSA-N 394.862 4.936 0 40 GJAB COc1ccc2cc([C@H](C)C(=O)Nc3cnc4c(cnn4C(C)C)c3)ccc2c1 17573851 WWEZJYKJHXFMOW-HNNXBMFYSA-N 388.471 4.916 0 40 GJAB CCc1ccccc1N/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 17920326 DIEPMCKOBSFNOO-CJLVFECKSA-N 382.463 4.885 0 40 GJAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)Cc3sccc3C)CC2)C1 19238569 XTBDKDKASPIUJN-UHFFFAOYSA-N 398.572 4.611 0 40 GJAB Cc1c(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)oc2ccccc12 19566136 PMZSVBRSDWZWNY-AWEZNQCLSA-N 393.468 4.873 0 40 GJAB O=C(c1cccc2cccnc12)N1CCc2nc(-c3ccccc3F)sc2C1 19719778 DZIKJUDEXCBVLQ-UHFFFAOYSA-N 389.455 4.696 0 40 GJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 20144089 QZHBREFMPVWFHP-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1Cl 20452530 RKZAKDOPLBPHLZ-HNNXBMFYSA-N 389.879 4.848 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)c(Cl)c1 20456201 NILIVTTZAMJNJM-KRWDZBQOSA-N 396.270 4.966 0 40 GJAB O=C(CCc1nc(-c2ccsc2)no1)N(Cc1ccccc1)c1ccccc1 21598403 KVNZMTFBIDKLNE-UHFFFAOYSA-N 389.480 4.964 0 40 GJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 26295622 ZTFCLPNPYSPQIJ-KGLIPLIRSA-N 382.348 4.968 0 40 GJAB Cc1cccc(-c2nc(CC(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cs2)c1 27851406 MJXHBFBWMMUJSV-GJZGRUSLSA-N 382.451 4.898 0 40 GJAB C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc2ncccc12 31689211 PGAXYCBMACRIPP-NSHDSACASA-N 389.224 4.542 0 40 GJAB Cc1cccc(CNC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c1 32579158 ITHWDMFARZVVIQ-UHFFFAOYSA-N 399.450 4.554 0 40 GJAB CN(CC(=O)Nc1cc(C(C)(C)C)no1)C(c1ccccc1)c1ccccc1 32753325 WHOJKGUIQDBPQB-UHFFFAOYSA-N 377.488 4.632 0 40 GJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cccc(OCc3cccs3)c2)c1 32914473 BQJNJKLDLLNKPE-OAHLLOKOSA-N 394.496 4.777 0 40 GJAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1cc(Cl)ccc1Cl 40095823 RKTLZSVFROFDDB-UHFFFAOYSA-N 379.287 4.863 0 40 GJAB CC1CCN(C(=O)c2cc(Cl)c(C(=O)N3CCC(C)CC3)c(Cl)c2)CC1 45919969 RKOOVRHWSDELSD-UHFFFAOYSA-N 397.346 4.738 0 40 GJAB O=C(OCc1cn2cc(Cl)ccc2n1)c1cccnc1Nc1cccc(F)c1 51744313 CKAWFPROODCLPT-UHFFFAOYSA-N 396.809 4.622 0 40 GJAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(Cl)cc1)N1CCCC1 67288247 MBXRBUYZUSPKCI-UHFFFAOYSA-N 383.854 4.875 0 40 GJAB O=C(/C=C/c1ccccc1Cl)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635450 VMGLZCDIROLZRN-HKMNZKMDSA-N 395.808 4.972 0 40 GJAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)=O)cn1 72215013 YVMGQFRBSSNWDY-GOSISDBHSA-N 375.513 4.697 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cn[nH]c1-c1ccc(Cl)cc1 72328904 IMQAXUOXMPROEH-UHFFFAOYSA-N 379.769 4.679 0 40 GJAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353855 WEIGHWMXNSOFPO-QFIPXVFZSA-N 385.511 4.704 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nc(C)cs2)C12CCCC2 72400693 ASTMFKVTRYEGOJ-CRAIPNDOSA-N 397.544 4.741 0 40 GJAB C[C@H](NC(=O)Cc1cccc2ccccc12)c1noc(-c2ccc(Cl)cc2)n1 79024788 HETDQGAEFBKTHA-AWEZNQCLSA-N 391.858 4.963 0 40 GJAB COc1cc2c(cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl)CCCC2 222562301 XJQWRKNDMKUUSU-UHFFFAOYSA-N 386.300 4.682 0 40 GJAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(C)c(C)c1 224284293 ZKWJVJUGZDWUQT-LEWJYISDSA-N 376.529 4.697 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224446056 CSJPLCWHRUNFSK-HXUWFJFHSA-N 389.923 4.990 0 40 GJAB CC[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc(OC)c(C)c1 225624770 NALLDYXCOFSZFH-QGZVFWFLSA-N 376.294 4.576 0 40 GJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225845814 RTGNTCKGQGJRHE-QFIPXVFZSA-N 393.524 4.822 0 40 GJAB COC1CCN(c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1 245026592 NBYUDDYKVMWPJA-UHFFFAOYSA-N 378.394 4.573 0 40 GJAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1Oc1cccc(Cl)c1 257215750 CRMKXJDYPKVCOP-IBGZPJMESA-N 395.842 4.558 0 40 GJAB Cc1cc(Nc2ccccn2)cc(C2CCN(Cc3cnc(C)s3)CC2)n1 257316664 VGNAEAUIQVNMES-UHFFFAOYSA-N 379.533 4.673 0 40 GJAB Oc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 261509113 ZWIDDLZNRYYITM-VQTJNVASSA-N 399.240 4.832 0 40 GJAB CCN(CC)C(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408978453 MFKNVZBTABLQPR-UHFFFAOYSA-N 390.516 4.659 0 40 GJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)CCc3ccccc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409105390 NCRHBDJJDPWNGO-QINHECLXSA-N 396.453 4.531 0 40 GJAB O=C1CC[C@H](c2cccc(NC(=O)N3CCC(c4cccc(Cl)c4)CC3)c2)N1 516166870 OSEHDWRLCHKYAG-HXUWFJFHSA-N 397.906 4.703 0 40 GJAB O=C(CCc1cccc(Cl)c1)NC[C@@H](O)c1ccc(-c2ccsc2)s1 675008384 VHVMWYXJHRLZJH-MRXNPFEDSA-N 391.945 4.912 0 40 GJAB CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)[C@H]1CCc2nccn2C1 682477268 UIOLEYZBFSBPCJ-KRWDZBQOSA-N 397.519 4.750 0 40 GJAB Cc1cccc(Oc2ccccc2C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 685048866 OOSROTSOWKBDBJ-RUZDIDTESA-N 398.462 4.523 0 40 GJAB COc1cnc(F)c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 1530348110 ZWFFJQYQUAXNQI-UHFFFAOYSA-N 379.416 4.758 0 40 GJAB Cc1cnc([C@@H](C)CNC(=O)Nc2nc3ccc4scnc4c3s2)s1 1675306436 HTWTXWCRPBAAGK-QMMMGPOBSA-N 389.531 4.596 0 40 GJAB O[C@@H]1CCN(c2ccc(F)cc2)C[C@H]1[C@H](Nc1ccccc1)c1ccccc1 2037843738 GWDOHBZCUPMPOY-WXFUMESZSA-N 376.475 4.866 0 40 GJAB O=C(N[C@@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl)c1cccnc1 808622 YCRVTSMYKANZPZ-QGZVFWFLSA-N 394.689 4.773 0 40 GJAB CCCN(C(=O)CCc1ccccc1OC)c1nnc(-c2cccc(F)c2)s1 1345493 FNILDQBDVMMWEO-UHFFFAOYSA-N 399.491 4.729 0 40 GJAB CCCc1nc(SCC(=O)NCCc2ccccc2)c2c(C)c(C)sc2n1 1372194 QISQWSRIIPLAQF-UHFFFAOYSA-N 399.585 4.712 0 40 GJAB CCc1ccc(-c2csc(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)n2)cc1 2207377 UEPWGZQYIHEBQW-LJQANCHMSA-N 396.468 4.671 0 40 GJAB CCCCCCn1c(N)c(C(=O)OCCC(C)C)c2nc3ccccc3nc21 2246468 HUSODOSKZZCQEX-UHFFFAOYSA-N 382.508 4.950 0 40 GJAB O=C(OCCNC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1 3215553 VTMQHYQDGZAWOH-UHFFFAOYSA-N 394.279 4.795 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N3CCCc4ccccc43)s2)cc1 3249706 BZVACISAQFFULZ-UHFFFAOYSA-N 396.541 4.662 0 40 GJAB O=C(OCCOc1ccccc1F)c1ccccc1C(=O)c1ccc(Cl)cc1 3328019 YFIVUGJOAPMUBD-UHFFFAOYSA-N 398.817 4.946 0 40 GJAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(Nc4ccc(O)cc4)nc3[C@@H](C)[C@H]21 3839886 JPWJSUFHXXKTOH-CXWDKBBJSA-N 398.528 4.846 0 40 GJAB biogenic,in-vitro Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)o2)c1 4479483 QCRILBVVOPIICW-UHFFFAOYSA-N 397.434 4.837 0 40 GJAB CCN(CC)C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 4501289 SFJYYPWJLNAZGG-UHFFFAOYSA-N 394.544 4.512 0 40 GJAB COc1c(Cl)cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1Cl 4551822 UWKXOIUVTIIZRU-UHFFFAOYSA-N 381.284 4.846 0 40 GJAB Cc1ccccc1S(=O)(=O)Nc1cc(Cl)c2oc3c(c2c1)C(=O)CCC3 5756372 FEPYWOFCLGNBTB-UHFFFAOYSA-N 389.860 4.714 0 40 GJAB CC(C)(C)NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 6364667 OSBPFTJXCGVZIQ-UHFFFAOYSA-N 375.494 4.504 0 40 GJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC=C(C5=CC(=O)OC5)[C@@]4(C)CC[C@@H]32)C1 6781175 SVPNYAGEEKDKCQ-ZMWRIRMISA-N 396.527 4.900 0 40 GJAB biogenic C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)CNCc1ccccc1 6931373 HKQCBICFBAZMCN-IYMLOVEFSA-N 391.555 4.769 0 40 GJAB COc1cccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c1 7603231 FGPFYXAKRLQZJI-GDNBJRDFSA-N 388.832 4.616 0 40 GJAB c1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)cc1 9573536 PRZCWXJPYDXQGF-UHFFFAOYSA-N 382.427 4.764 0 40 GJAB Cc1cccnc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 10430806 RZJKWWRCMNROIU-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CCCCCOc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12 11614197 MHAUDCSEJUIFKF-UHFFFAOYSA-N 375.534 4.974 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(C)o3)no2)cc1 11916477 OWYMSCIZHQORPT-UHFFFAOYSA-N 376.412 4.987 0 40 GJAB COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCc1ccccc1F 12371686 HEYYCMZEDDYGMW-OAHLLOKOSA-N 383.444 4.949 0 40 GJAB COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3)n2)c1 12442092 GQRMSNNORVOQGZ-UHFFFAOYSA-N 390.468 4.565 0 40 GJAB Cc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)cc1 12444148 APUUQWYXRSDAPH-UHFFFAOYSA-N 382.510 4.608 0 40 GJAB Cc1c(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)oc2c(Cl)cccc12 12535482 SVPQLBZFVWRDSO-KRWDZBQOSA-N 397.837 4.787 0 40 GJAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1sccc1-c1ccccc1 12942278 FLAJDQOLJGOIGW-UHFFFAOYSA-N 390.508 4.581 0 40 GJAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC 14264038 KXDMLDUTJCTLGQ-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB COc1cc([C@H]2CC(C)=Nc3c(-c4ccccc4)c(C)nn32)cc(OC)c1OC 14607107 QZWOEHFBSJEYTF-GOSISDBHSA-N 391.471 4.970 0 40 GJAB Clc1ccccc1COc1cccc(CNCc2ccc3c(c2)OCO3)c1 16450078 MVBIZUQMODTQKG-UHFFFAOYSA-N 381.859 4.938 0 40 GJAB COc1ccccc1-c1cc(-c2ccccc2OC)n(Cn2cc(Cl)cn2)n1 17080729 AEHJEUGRSFXRET-UHFFFAOYSA-N 394.862 4.590 0 40 GJAB Cc1noc(C)c1CSCC(=O)Nc1ccc(Br)cc1Cl 21272868 SGQJXAVJQSSALP-UHFFFAOYSA-N 389.702 4.579 0 40 GJAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCCCCCC1 22189040 HWJSYSVFVFYPHX-UHFFFAOYSA-N 381.501 4.775 0 40 GJAB CCN1C(=O)Cc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc21 22506804 IFCALWZLRIJIRZ-UHFFFAOYSA-N 385.467 4.507 0 40 GJAB O=C(Nc1ccccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 23054912 ZFDARWGDVMDZKG-STQMWFEESA-N 396.434 4.851 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1c(C)nc(-c2ccco2)nc1SC 25060829 QGPYWOINBFVOFS-UHFFFAOYSA-N 389.864 4.681 0 40 GJAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3c4ccccc4C[C@H]3C)c12 26927813 WWBCMCBOUHKGEK-CYBMUJFWSA-N 388.496 4.597 0 40 GJAB Cc1ccc(C)c(NC(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c1 27918052 DTQGVPPMNQXGJJ-UHFFFAOYSA-N 385.265 4.896 0 40 GJAB C[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1cccc(Br)c1 29124336 JIBASDPFVPYUNT-ZDUSSCGKSA-N 386.293 4.526 0 40 GJAB CC[C@H](C(=O)Nc1c(C)nn(COc2ccc(F)cc2F)c1C)c1ccccc1 32609829 ASJUYWNOZXNHPV-SFHVURJKSA-N 399.441 4.947 0 40 GJAB CC(C)c1cc(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)c(O)c(C(C)C)c1 32776006 IBMHGPSTPAKXOZ-NRFANRHFSA-N 383.488 4.625 0 40 GJAB Cc1ccccc1COC(=O)[C@H](NC(=O)Cc1cccc2ccccc12)C(C)C 32954651 AHAMUHDJHWAXDO-XMMPIXPASA-N 389.495 4.575 0 40 GJAB C[C@@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 33873437 CDGBGSHPXVALFF-MRXNPFEDSA-N 382.485 4.572 0 40 GJAB COc1ccccc1NC1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1 35622233 OABIMSRDWUNIAK-UHFFFAOYSA-N 383.883 4.596 0 40 GJAB CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC[C@H](C)C3)c(O)n2n1 36104705 SRUCLAWPDCBJCA-LRDDRELGSA-N 390.940 4.534 0 40 GJAB Cc1cccc(NC(=O)N2CCC[C@H]2C2CCCCC2)c1C(=O)N1CCCC1 47519835 MYWWCZOJLUWXRI-FQEVSTJZSA-N 383.536 4.808 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCc2ccccc2C1 58394176 SMUKZTLTOHVMQL-UHFFFAOYSA-N 389.421 4.896 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N(Cc1ccccn1)Cc1ccco1 62018078 XOMLSAWAMYUARQ-UHFFFAOYSA-N 384.863 4.714 0 40 GJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)NC(=O)CS2 69757842 DNZPGPWTIBHJRK-PKOBYXMFSA-N 395.528 4.921 0 40 GJAB O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2c(F)cc(F)cc2F)C1=O 70004787 SFIOHRHDCPPLNR-INIZCTEOSA-N 397.393 4.557 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1OC 72230011 VLLMHCHMGVRRQY-OAQYLSRUSA-N 397.858 4.691 0 40 GJAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(Cc3ccc(Cl)cc3)cn2)o1 72374143 GIRLTJOFPGJVLF-HXUWFJFHSA-N 395.890 4.908 0 40 GJAB COc1ccc(OC)c([C@H]2CC(c3ccccc3O)=N[C@@H](c3ccccc3)N2)c1 80325066 VFFVWMVIOSXMPN-ZJSXRUAMSA-N 388.467 4.632 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2ccc(SC)cc2)c1[C@H]1C(=O)Nc2ccccc21 101630892 QCMUNRMEKALFNM-SFHVURJKSA-N 392.480 4.583 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219319832 YKNNUKHMUUQWTI-SFHVURJKSA-N 399.878 4.514 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 222976001 PATSPJHZJQJVJJ-NHCUHLMSSA-N 394.519 4.784 0 40 GJAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 223125863 YIPPEWGEOULHFB-NRFANRHFSA-N 394.559 4.570 0 40 GJAB Cc1ccc(CN2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1 224557374 PAZBWEYSKDNDJI-UHFFFAOYSA-N 390.449 4.542 0 40 GJAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(Br)cc3)oc2c1 226270977 FQLLPBWNGMIYMI-UHFFFAOYSA-N 399.166 4.782 0 40 GJAB Fc1ccccc1OCCN1CCC(c2cccc(Nc3ccccn3)n2)CC1 257285152 PFWJTLPORNEGRK-UHFFFAOYSA-N 392.478 4.618 0 40 GJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Cc1ccc(Cl)cc1 408714040 HFHCRYCFUWPXQQ-UHFFFAOYSA-N 397.906 4.889 0 40 GJAB O=c1cc(CSCCCc2ccc(C(F)(F)F)cc2)nc2ccccn12 610503699 MRCLMFGWSRBJKY-UHFFFAOYSA-N 378.419 4.579 0 40 GJAB Cc1nc(C(C)C)oc1C(=O)N1CC(C)(C)Oc2ccc(C(F)(F)F)cc21 1535716633 HZGVDNMEGSWNFT-UHFFFAOYSA-N 382.382 4.943 0 40 GJAB CO[C@@]12C=C[C@@H](c3c(Cl)c(Cl)c(Cl)c(Cl)c31)C1(C2)OCCO1 651202 BYJSNFYGRMNWPX-JKYUHCHBSA-N 382.070 4.942 0 40 GJAB COc1ccc(NCc2nnc(SCc3c(F)cccc3Cl)n2C)cc1 862238 YOTUZXUEJJUWKQ-UHFFFAOYSA-N 392.887 4.521 0 40 GJAB CN(C)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 920963 QEJMDZCXXZFBME-HNNXBMFYSA-N 384.545 4.853 0 40 GJAB COc1ccccc1N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 943728 DSAAECIONLNALV-UHFFFAOYSA-N 386.904 4.526 0 40 GJAB Cc1c(C)c(C)c(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2)c(C)c1C 2092262 INOSPZAMIUOTJX-UHFFFAOYSA-N 394.467 4.850 0 40 GJAB biogenic Cc1c(CCC(=O)O)c(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 2137399 GJIPNLTURQXETI-UHFFFAOYSA-N 380.371 4.979 0 40 GJAB biogenic CCN(CC)CCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 2435885 XYMWUWVZVFQIBA-UHFFFAOYSA-N 397.592 4.995 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1cn(-c2ccccc2)nc1-c1ccccc1 3183133 VATCZCAFTYLYSL-UHFFFAOYSA-N 383.407 4.520 0 40 GJAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1N1CCCCCC1 3242119 PWXZOYMEXXZLCM-UHFFFAOYSA-N 382.485 4.555 0 40 GJAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NC(C)(C)C)cc12 3360517 KKLOQHPGGGNHPQ-UHFFFAOYSA-N 381.423 4.943 0 40 GJAB Fc1ccc(-c2nnc(CN3CCC(c4nc5ccccc5s4)CC3)o2)cc1 3450278 LYHNXOLTRNCOGM-UHFFFAOYSA-N 394.475 4.865 0 40 GJAB CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(OC)cc1 4078492 HJOKVOCJSICDLY-SFHVURJKSA-N 387.277 4.545 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)Nc1cccc(Cl)c1 4304999 ZYVDSRLBBLNBBV-LJQANCHMSA-N 381.863 4.859 0 40 GJAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CCc2ccc(F)cc2)[C@H]3CCC1 4625578 KWJNPOLWRZUCDQ-QFIPXVFZSA-N 376.475 4.941 0 40 GJAB CCOc1ccc(CNc2ncc(-c3ccc(Br)cc3)n2C)cc1 4678202 IJIGLWDNGRBDEI-UHFFFAOYSA-N 386.293 4.860 0 40 GJAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3CCC[C@H](C)C3)s2)cc1 4835700 XJUXXTPUNWVZSY-AWEZNQCLSA-N 390.578 4.756 0 40 GJAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3F)C2)cc1 4857886 QIDLMQSLSRENAC-QFIPXVFZSA-N 394.471 4.674 0 40 GJAB Cn1c(C(=O)O[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc2sccc21 4967045 VHEDCXCAPISYBT-HXUWFJFHSA-N 396.512 4.587 0 40 GJAB COc1ccccc1NC(=O)[C@H](C(C)=O)C1c2ccccc2Oc2ccccc21 5060828 JYNMOSGCICFPEZ-JOCHJYFZSA-N 387.435 4.777 0 40 GJAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)c1ccccc1F 5534908 COKRLTUWYJYDGY-UHFFFAOYSA-N 378.403 4.647 0 40 GJAB COc1ccc(Br)cc1/C=C(\CC(=O)O)c1nc2ccccc2o1 5798242 YRQHMJYEYJPUMR-XYOKQWHBSA-N 388.217 4.614 0 40 GJAB Cc1ccc(SCCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 6966365 PIJNFHTYESVBEH-UHFFFAOYSA-N 388.964 4.788 0 40 GJAB COc1cccc(NC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)c1 7781632 KKBWGWZXEWIPSZ-UHFFFAOYSA-N 380.448 4.578 0 40 GJAB C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 7989063 DEQIXPAAWHZOKL-KUHUBIRLSA-N 393.405 4.754 0 40 GJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)C[C@@H]3OC(=O)c4ccccc43)n2c1 7989496 UNOKQCWQOYSGJS-IBGZPJMESA-N 397.434 4.550 0 40 GJAB COc1ccc(-c2cnn3c(C(F)(F)F)cc(C(C)(C)C)nc23)cc1OC 8569802 BCPWPWWTCUOWOR-UHFFFAOYSA-N 379.382 4.730 0 40 GJAB C[C@@]1(CS(=O)(=O)c2ccccc2)CC(c2ccccc2)=NN1c1ccccc1 9142771 NIINAVDRAWGASU-QHCPKHFHSA-N 390.508 4.534 0 40 GJAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCCO2 9339111 OIBJAXRVEKOAPH-HJPURHCSSA-N 386.451 4.786 0 40 GJAB CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCc1ccc(F)cc1 9614943 ZAAKOUQWKFPEQJ-UHFFFAOYSA-N 398.507 4.527 0 40 GJAB CC1CCN([C@@H](CNC(=O)Nc2ccc(F)cc2F)c2cccs2)CC1 9833936 OBXWQNGFBZCDGR-KRWDZBQOSA-N 379.476 4.621 0 40 GJAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)c1ccc(-c2ccccc2)cc1 11768910 NKYZSSHPNYFRGR-UHFFFAOYSA-N 389.480 4.601 0 40 GJAB COc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1Cl 12774312 QWLQVYMAMDKFMZ-UHFFFAOYSA-N 388.876 4.945 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 12882156 JSHQPQIENQIACS-IAGOWNOFSA-N 380.513 4.778 0 40 GJAB O=C(Nc1ccc2oc3ccccc3c2c1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 12930441 IKSYCRFLRNPPST-OAHLLOKOSA-N 388.423 4.670 0 40 GJAB COc1ccc(Cl)cc1-c1nnc2sc(-c3ccccc3Cl)nn12 15083067 XUVXJSOMTWVZFH-UHFFFAOYSA-N 377.256 4.835 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(OC(F)(F)F)cc2)c1 15828216 WIACTIFEWUMXKE-KRWDZBQOSA-N 395.377 4.580 0 40 GJAB Cc1ccccc1-n1cccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 17299880 VLSYUSNNWMONGU-QGOAFFKASA-N 377.831 4.536 0 40 GJAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(CC3CCCCC3)CC[C@@H]21 19406586 AVSQJNUIJIPHQT-FKBYEOEOSA-N 386.605 4.745 0 40 GJAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(SC)cc2)cc1Cl 20030015 KSZOSWGXNHKSCP-LBPRGKRZSA-N 385.938 4.500 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(OC(C)C)cc1 20112168 PSBMCPSXYDAQNS-HSZRJFAPSA-N 383.532 4.997 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)OC)c1C 20488651 FVELZDNHDOJHNE-FQEVSTJZSA-N 377.440 4.731 0 40 GJAB CCOc1cc(C(=O)Nc2ccccc2O)ccc1OCCOc1ccccc1 22024221 ZLRCSJQTBYNUTC-UHFFFAOYSA-N 393.439 4.501 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2oc3c(F)cccc3c2C)C2CC2)c1 25807626 IWZRADWNMDQBAC-UHFFFAOYSA-N 383.419 4.702 0 40 GJAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1cccs1 27825019 VMUFCXKEVFSBET-UHFFFAOYSA-N 387.954 4.757 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc(F)c1)c1ccccn1 28292973 GAUIRIAYCVDZEA-HXUWFJFHSA-N 382.410 4.751 0 40 GJAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cccc(Br)c1 28303754 MQXAOJHGAAHNCE-UHFFFAOYSA-N 390.668 4.600 0 40 GJAB CN(C(=O)Cc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCCc2ccccc21 29258784 DZRHNNZLEFKGKK-IBGZPJMESA-N 385.891 4.580 0 40 GJAB O=C(c1cccc(Br)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 31128500 NARBFHAFECKTSE-CQSZACIVSA-N 385.261 4.610 0 40 GJAB O=C(CSCc1nc(-c2ccccc2Cl)no1)Nc1cc(F)cc(F)c1 32779121 HFHQHHNUGPWEIL-UHFFFAOYSA-N 395.818 4.540 0 40 GJAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=S)Nc1ccccc1 35291894 NZXSARBWFRXSLY-IHWFROFDSA-N 393.556 4.507 0 40 GJAB Cc1cccnc1NC(=O)c1csc(-c2cc(Br)cs2)n1 57986664 CPFJVACXOJCVFD-UHFFFAOYSA-N 380.292 4.590 0 40 GJAB Cc1cc(C)c2nc(-c3cc(Br)cc(Br)c3N)[nH]c2c1 70462802 ULLPQKXHVHPGHX-UHFFFAOYSA-N 395.098 4.954 0 40 GJAB COc1ccc(CN2CCC[C@@H](c3nccnc3-c3cccc(OC)c3)C2)cc1 72358401 PZWVZKBUOJUFJV-HXUWFJFHSA-N 389.499 4.540 0 40 GJAB Cc1ccc(NC(=O)c2cccc(Cl)c2)c(-c2nc3ccccc3[nH]c2=O)c1 89626412 HCSHHQNXTLOGOH-UHFFFAOYSA-N 389.842 4.804 0 40 GJAB COc1ccccc1-c1c(C)nn2c(=O)cc(CSc3ccc(C)cc3)[nH]c12 100071918 GQUQNFNSWGWGTH-UHFFFAOYSA-N 391.496 4.607 0 40 GJAB CSc1ccc(NC(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 100423475 CBCGEOMMSIECBT-WOJBJXKFSA-N 381.545 4.726 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)C[C@H](c2ccc(F)cc2)C1 102565942 DPQQUCSFXSWGNQ-YUNKPMOVSA-N 396.372 4.761 0 40 GJAB Cc1ccc(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 222758563 MCUZYDGTMLQRAK-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 223654501 PKENCZNMUMPWOW-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1OC 224242615 UUBFVIUHNNSWTQ-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225840446 QBHOKVBGWLMVKY-ZHRRBRCNSA-N 393.524 4.820 0 40 GJAB COC(=O)CCc1cc(Cl)c(OCc2ccccc2)c(Br)c1 226342017 LSMCUAZZPQXAGR-UHFFFAOYSA-N 383.669 4.787 0 40 GJAB C[C@H](CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 248145646 DZGPRMSLAPSDCD-UNWVZKJWSA-N 393.575 4.801 0 40 GJAB CC(C)COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 409206139 VMIVIJBDYDTGHR-UHFFFAOYSA-N 399.446 4.963 0 40 GJAB CC(C)c1csc([C@@H]2CCCN(Cc3ccc(C(=O)O)c(Cl)c3)C2)n1 573499862 YCAJVMUYZQBWML-CQSZACIVSA-N 378.925 4.998 0 40 GJAB COc1ccc2ccccc2c1CCC(=O)NCc1cncc(-c2ccoc2)c1 575619974 IGTIHMXNSNAPGU-UHFFFAOYSA-N 386.451 4.752 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@@H]2[C@H](C1)CN2CC1CCCCC1 585108046 XOMRSLXDYZPEBI-ZHHKINOHSA-N 386.967 4.557 0 40 GJAB Cc1ccc2cccc(NC(=O)N3CCCC[C@@H]3[C@@H]3C[C@H](C)CC[C@H]3O)c2n1 1659020321 AWBFXLYVWGVXDP-NSGGIEJNSA-N 381.520 4.727 0 40 GJAB C[C@H]1CCc2c(sc3ncnc(SCc4cc(=O)[nH]c5ccccc45)c23)C1 881294 RYTLSCNNUYLXHP-LBPRGKRZSA-N 393.537 4.950 0 40 GJAB CCOc1ccc([C@H]2CC(=O)n3nc(-c4ccc(Cl)cc4)nc3S2)cc1 935560 HXRBLWYZNOTJLB-MRXNPFEDSA-N 385.876 4.875 0 40 GJAB Cc1csc2nc(CSc3nc4ccccc4[nH]3)c(Br)n12 1241942 DMCDSZSERGDIPO-UHFFFAOYSA-N 379.308 4.635 0 40 GJAB O=C(CSc1ccc(Cl)cc1)Nc1ncc2c(n1)-c1ccccc1CC2 1392166 CGMUKOFYRVENPD-UHFFFAOYSA-N 381.888 4.626 0 40 GJAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1 2349214 WVIKTHFAJJUBSS-UQBPGWFLSA-N 381.840 4.817 0 40 GJAB COc1cccc(/C=C/C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 3615578 BVJVEIFWQMHRKE-LHHJGKSTSA-N 376.383 4.684 0 40 GJAB CCCCC(=O)N1c2ccccc2N2C(c3c(C)c(C)cc(C)c3C)=NON12 4031666 PWYCADRKUSMPIC-UHFFFAOYSA-N 378.476 4.702 0 40 GJAB Cc1cccc(Cn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 4033507 CQCNUDYIFGTBKL-JOCHJYFZSA-N 395.506 4.909 0 40 GJAB COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2CC(C)C)CC1=O 4033590 GXXCXZKWYNQJBG-HNNXBMFYSA-N 397.906 4.875 0 40 GJAB CN(C)CCCN(C(=O)c1cccc(Cl)c1)c1nc2c(F)cccc2s1 4359754 YDAPIZQDKLHTED-UHFFFAOYSA-N 391.899 4.687 0 40 GJAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cn(C)c2ccccc12 4956707 XXCWCLUPLFRNIY-HXUWFJFHSA-N 396.288 4.638 0 40 GJAB C[C@@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(=O)N1CCCC1 5263330 GLTAOFPURGLJOB-QGZVFWFLSA-N 377.513 4.642 0 40 GJAB O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCc2ccccc2C1 5738665 NEYQIMVBQXLJBG-UHFFFAOYSA-N 381.435 4.602 0 40 GJAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 5859080 GENHKNNNLZBXIA-UHFFFAOYSA-N 391.496 4.705 0 40 GJAB O=C(CCCc1c[nH]c2ccccc12)Nc1nnc(-c2ccc(Cl)cc2)o1 5938269 LFQRKRRPAMLZKG-UHFFFAOYSA-N 380.835 4.833 0 40 GJAB CCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccc(C)cc1 6206706 CPAISLQUPUOASL-UHFFFAOYSA-N 377.469 4.943 0 40 GJAB CCOc1ccc(NC(=O)c2cc(Br)c(OC)c(OCC)c2)cc1 6207600 LFXAPAGUEBHGSE-UHFFFAOYSA-N 394.265 4.507 0 40 GJAB CC(C)/N=C1\S/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C(=O)N1C(C)C 6324971 LCWFPUPNVZUJRV-ZHUAHHRVSA-N 379.485 4.907 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(F)cc1 6340630 FUKYSPULRXQPDU-HXUWFJFHSA-N 396.849 4.979 0 40 GJAB Cc1cccc(-c2noc(CN(C(=O)Cc3ccccc3)C3CCCCC3)n2)c1 6760341 PPTUCRMEFTZHSS-UHFFFAOYSA-N 389.499 4.949 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(N2CCCCCC2)cc1 7239986 QAPQVNFRTSBXRP-UHFFFAOYSA-N 382.552 4.718 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccccc1)CC2 7408677 PTULJHMQOWPKTD-NRFANRHFSA-N 379.481 4.553 0 40 GJAB COc1cccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1OC 7599290 KVUIOQCXAAVSTK-UHFFFAOYSA-N 380.425 4.826 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1Cc1ccc(F)cc1 7617814 DVJIMFCXUWUPTJ-UHFFFAOYSA-N 398.507 4.502 0 40 GJAB CN(CC(=O)Nc1cccc(Cl)c1Cl)Cc1nc2ccccc2s1 7689028 SITNKRIDNAOYNT-UHFFFAOYSA-N 380.300 4.674 0 40 GJAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 7987922 VOGICOFNKBTHMI-LBPRGKRZSA-N 381.432 4.837 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)Nc2nc3ccccc3s2)cc1OCC 9711618 SAMOPVOTOFWWCI-ZDUSSCGKSA-N 385.489 4.976 0 40 GJAB CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1 12062909 OTSCWTFYRXGLNL-NRFANRHFSA-N 391.467 4.845 0 40 GJAB Cc1ccc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)cc1Cl 12415425 ABLXMJZXMWDDDH-UHFFFAOYSA-N 376.243 4.548 0 40 GJAB Cc1cc(C)c(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 12977986 RWUGVARTLJTYGQ-UHFFFAOYSA-N 382.548 4.663 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccccc2)cc1 14609682 XKPDJESOCOWATP-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 14775793 QFWINOUISNOJNX-NSHDSACASA-N 377.341 4.726 0 40 GJAB CC(C)c1cc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(C(C)C)c1O 15414451 SUVMMINLZBWCLC-LEWJYISDSA-N 392.499 4.809 0 40 GJAB C[C@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC1CCCCC1 19623554 GZMRUUMQVPJDPX-AVRDEDQJSA-N 389.543 4.727 0 40 GJAB Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1 22907872 FONLCULXJQRIRO-NRFANRHFSA-N 376.525 4.586 0 40 GJAB O=C(Nc1ccccc1SCc1ccsc1)c1ccc(-n2cncn2)cc1 27821784 XUWFHSYMZOZPEX-UHFFFAOYSA-N 392.509 4.873 0 40 GJAB C[C@H](Sc1noc(-c2cccc(Br)c2)n1)C(=O)c1ccccc1 28527143 DMGPIQPTUIBXTI-NSHDSACASA-N 389.274 4.863 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)C2=Cc3cc(C)ccc3OC=C2)cc1 33321275 DEBBOXHJYHOLNI-UHFFFAOYSA-N 377.440 4.880 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1 38834026 FULQJJMSKPKCFL-HNNXBMFYSA-N 387.321 4.933 0 40 GJAB Cc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44909400 ULDRDISZWDERRJ-NRFANRHFSA-N 384.951 4.609 0 40 GJAB CNC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1Cl 55905167 VCJBMUMGWHGJRU-UHFFFAOYSA-N 388.851 4.820 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)N(C)Cc2ccc(SC)cc2)cc1 58004480 HAFZCYIESLLZOJ-UHFFFAOYSA-N 385.533 4.554 0 40 GJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccccc1N1CCCCC1 58314066 AQWDAGLAUJGSRH-UHFFFAOYSA-N 377.492 4.563 0 40 GJAB O=C(/C=C/c1cccs1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62130175 IRSAVMSYLBNTPH-CMDGGOBGSA-N 377.513 4.564 0 40 GJAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C=O)C1CCCCC1 72215774 DVWCMTJHQUFJPZ-IBGZPJMESA-N 387.524 4.839 0 40 GJAB COc1ccc(Cl)cc1CN(Cc1cccc(C)n1)Cc1cccc(C)n1 79052079 KFWPWBYRSMLAHB-UHFFFAOYSA-N 381.907 4.958 0 40 GJAB Cc1cccc2c1ccn2CCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 95478177 NIGSFAAFVAHQDS-UHFFFAOYSA-N 379.891 4.833 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 216249183 VMNFKKWORKCANS-UHFFFAOYSA-N 399.494 4.850 0 40 GJAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1Cl 222690074 AWJWIHMVZUKRBL-KRWDZBQOSA-N 389.879 4.780 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 222711984 VGGGSLXMIQMKDB-HZPDHXFCSA-N 379.456 4.502 0 40 GJAB COc1ccc(CNC(=S)Nc2ccc(Nc3ccc(C)cc3)nc2)cc1 223927959 NULVEUXWVUHECV-UHFFFAOYSA-N 378.501 4.629 0 40 GJAB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(OC)cc1 224242523 BXONNYQBYREJRL-GOSISDBHSA-N 381.900 4.988 0 40 GJAB CC(C)(C)c1ccc(O[C@H](Cc2ccc(Br)cc2)C(=O)O)cc1 225065707 AMSLDAQQQOYDQP-QGZVFWFLSA-N 377.278 4.821 0 40 GJAB CCSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccccc1OC 225543777 OZJVVVJFLAIXPH-UHFFFAOYSA-N 391.496 4.561 0 40 GJAB COc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1 225609138 UHFVDXQNSQAMAU-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc2sc(N)nc12 226309713 AURLIUHGWYKTJL-UHFFFAOYSA-N 375.453 4.806 0 40 GJAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC(Oc2ccncc2)CC1 253394904 BKDNGRDIZLRJPU-UHFFFAOYSA-N 399.450 4.573 0 40 GJAB CCCCCC1=NN(C(=O)c2ccc(Cl)c(C)c2)[C@](O)(C(F)(F)F)C1 409179451 NXISAGYUTNQBGU-MRXNPFEDSA-N 376.806 4.682 0 40 GJAB Cc1ccc(C(=O)[C@H](NC(=O)c2ccccc2)SCc2ccccc2)cc1 585152254 HHWBJQDWRLBHMJ-HSZRJFAPSA-N 375.493 4.867 0 40 GJAB O=C(/C=C/c1ccccc1)N1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 585292355 LBQPBJOVOYGLQG-JLVIMGNISA-N 398.510 4.715 0 40 GJAB O=C(c1ccc2ccccc2c1)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 656408305 XDMMPDFTXPAWIC-RSYZFUPGSA-N 396.534 4.822 0 40 GJAB CCOc1cc(Cl)c([C@H](C)NC(=O)c2ccc(OC)cc2)cc1OCC 668054 QKWMMCBTWTXGMI-ZDUSSCGKSA-N 377.868 4.637 0 40 GJAB CC[C@@]1(C)Cc2c(sc3nc(SC)n(-c4ccccc4C)c(=O)c23)CO1 1295533 LTOPDBFENMAULG-FQEVSTJZSA-N 386.542 4.719 0 40 GJAB CCCOCCSc1nc2c(c(=O)n1CC)C1(CCCC1)Cc1ccccc1-2 1796193 AEIWEOXIZMZEJT-UHFFFAOYSA-N 398.572 4.817 0 40 GJAB Brc1ccc(Nc2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1 2665073 USSQOMJZVGEFQU-OAHLLOKOSA-N 399.292 4.727 0 40 GJAB Cc1cccc(NC(=O)CN2C(=O)C[C@@H](c3ccco3)Sc3ccccc32)c1 4162785 JOMYWSFISDZWFM-FQEVSTJZSA-N 392.480 4.797 0 40 GJAB O=c1c2c(nc(SCc3ccc(F)cc3)n1CCc1ccccc1)CCS2 4358793 ACJISCHDBWBVCX-UHFFFAOYSA-N 398.528 4.566 0 40 GJAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)NC1CCCC1 4463080 ZRRGOWBPPKABBT-CQSZACIVSA-N 395.503 4.975 0 40 GJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc2ccc(O)cc2oc1=O 4614767 KOYAJLBLZLBAML-UHFFFAOYSA-N 398.827 4.528 0 40 GJAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1 4783387 DUJYJLYKBOQGKW-UHFFFAOYSA-N 386.757 4.578 0 40 GJAB CCOc1ccccc1NC(=S)N1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 4858944 AJKQMEDCGYHCCF-MRXNPFEDSA-N 394.544 4.846 0 40 GJAB CCOc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)cc1 4973344 OMEXLHQXAWFGSW-UHFFFAOYSA-N 389.411 4.549 0 40 GJAB COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C)s2)c2ccccc2)c1 5110725 ATTWPHBSNZFPOW-IBGZPJMESA-N 381.453 4.602 0 40 GJAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 6257867 OONBNSKHFRWCPS-OUKQBFOZSA-N 399.947 4.857 0 40 GJAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc(C)cc2Cl)cc1 6629890 IDVMPJOCIBWTJU-UHFFFAOYSA-N 389.952 4.617 0 40 GJAB CCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)C(C(=O)OC)=C1C 6654687 MZBDHQUUQPAKIT-HKWRFOASSA-N 377.440 4.562 0 40 GJAB CSCC[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1nc2ccccc2[nH]1 6657831 SWHNFRCCOGFFDC-NRFANRHFSA-N 393.556 4.595 0 40 GJAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1cc(Cl)ccc1Cl 6778833 VFMXEOKNNRQDDS-INIZCTEOSA-N 383.250 4.526 0 40 GJAB CCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 7263349 WNDSTOHRTYEFNS-UHFFFAOYSA-N 392.290 4.581 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)/C=C/c1nc2ccccc2s1 7432722 XJXZMQDDHWNVSA-GCZGRYASSA-N 390.464 4.914 0 40 GJAB CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(OCC)cc1 9428306 ZTOKLDJZQALXOF-UHFFFAOYSA-N 378.472 4.569 0 40 GJAB COc1ccc(-c2cc(=O)c3cc(NC(=O)C4CCCCC4)ccc3o2)cc1 9660070 SFABSSMTSLUKHV-UHFFFAOYSA-N 377.440 4.987 0 40 GJAB biogenic CCOc1cc2c(cc1NC(=O)COc1cc(Cl)cc(Cl)c1)O[C@H](C)C2 10905165 ZDVZTEQQQPVSBR-LLVKDONJSA-N 396.270 4.733 0 40 GJAB CCOc1ccc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1 12629079 NHUPQRYDSWZCDP-QFIPXVFZSA-N 399.494 4.686 0 40 GJAB Cc1noc(C)c1CCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12783555 WBIBRRRLTYUESE-PAQRCMFQSA-N 386.495 4.638 0 40 GJAB C[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc2ccccc12 12885519 WRXOLDUYTRQAIX-INIZCTEOSA-N 382.504 4.664 0 40 GJAB Cc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2)c1 13563302 IMFHKLQYTSYOLP-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB COc1ccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)cc1Cl 14120437 UVPPTCYRBIUEKJ-UHFFFAOYSA-N 376.843 4.639 0 40 GJAB Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@@H](c3cccs3)C2=O)c1C 15413632 FWNSNJNJKLPDJD-NRFANRHFSA-N 394.471 4.625 0 40 GJAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 17959862 CXKPSMMIADRNEZ-KRWDZBQOSA-N 393.508 4.557 0 40 GJAB CCOc1ccc(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)cc1OC 19533955 YZBYYHUQBLMXAT-KRWDZBQOSA-N 388.558 4.994 0 40 GJAB Cc1cc(C)c2cc(C(=O)N3CCC[C@@H](c4nc5ccccc5n4C)C3)[nH]c2c1 19714640 PMFXKBHXYWESEW-QGZVFWFLSA-N 386.499 4.691 0 40 GJAB CSc1ncc(C(=O)N[C@@H]2CCSc3ccccc32)n1-c1ccc(F)cc1 24773237 SWPFJEVGNGULPQ-MRXNPFEDSA-N 399.516 4.700 0 40 GJAB Cc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)N2CCCCCC2)cc1 27741393 SWZMKPUOWLZYRW-XMMPIXPASA-N 394.559 4.724 0 40 GJAB COc1cc2c(cc1OC)CN(C(=O)c1sccc1-c1ccccc1)CC2 31034120 PYJRQINXHAAVRO-UHFFFAOYSA-N 379.481 4.631 0 40 GJAB O=S(=O)(Oc1ccc2c(-c3ccccc3)noc2c1)c1ccc(Cl)cc1 32073329 QOBUDUSSFJGTOI-UHFFFAOYSA-N 385.828 4.916 0 40 GJAB CCc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3cccs3)cc2)s1 32736622 SMVCCKOGZYWFBZ-UHFFFAOYSA-N 399.493 4.664 0 40 GJAB CCn1c(SCCC(=O)Nc2cc(Cl)ccc2Cl)nnc1C1CC1 32789050 VLKUCJBSGJFJKJ-UHFFFAOYSA-N 385.320 4.603 0 40 GJAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2cccnc2)cs1 33227639 XWPTZMDKCUXFBR-JTQLQIEISA-N 394.283 4.918 0 40 GJAB CCCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078822 BOZPOTTZTQCFBS-UHFFFAOYSA-N 384.907 4.853 0 40 GJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCc2ccc(O)cc2C1 48309856 UGBZVIOVDDYNPP-UHFFFAOYSA-N 382.463 4.599 0 40 GJAB O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2ccc(Br)cc2)[nH]n1 57477009 UKIKUTBIWQZXPW-UHFFFAOYSA-N 382.261 4.580 0 40 GJAB Cc1ccc(C)c(N2CCN(c3nccn4nc(-c5ccccc5C)cc34)CC2)c1 67285470 KNMBBSXPHNMOCR-UHFFFAOYSA-N 397.526 4.648 0 40 GJAB O=C(NCc1csc(C2CC2)n1)N[C@H]1C[C@H]1c1cccc(Cl)c1Cl 69957680 GPSXTHQRXXUDLF-JSGCOSHPSA-N 382.316 4.683 0 40 GJAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 70144717 DXIRBWHAXMLKLQ-CYBMUJFWSA-N 388.352 4.576 0 40 GJAB CC(=O)N1CCCN(Cc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 72313897 CWQDNDMWNDUSJQ-UHFFFAOYSA-N 399.947 4.671 0 40 GJAB O=C(NCCN1CCC(c2cccs2)CC1)C1(c2cccs2)CCCC1 77104039 KNSZCGUETXRRHA-UHFFFAOYSA-N 388.602 4.617 0 40 GJAB COCc1nc(N(C)Cc2cnc(C)s2)c2c(-c3ccccc3)csc2n1 84290593 RUCVMKUSDKIZKI-UHFFFAOYSA-N 396.541 4.906 0 40 GJAB Cc1ccccc1NC(=O)c1cc(-c2cnc(Nc3ccccc3)nc2)cn1C 96037594 OOUCJJRZVUIXEY-UHFFFAOYSA-N 383.455 4.786 0 40 GJAB COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H](c1ccccc1)CC(=O)O2 96116337 HAKUYWJTGHOQGG-KRWDZBQOSA-N 398.414 4.910 0 40 GJAB biogenic Cc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccccc5)oc4c32)o1 96116342 VHICKUSCSQDLHF-CQSZACIVSA-N 388.375 4.508 0 40 GJAB biogenic CCCCCC[Sn](I)(CC)CC 195775822 HDGKQRPVDUCECT-UHFFFAOYSA-M 388.909 4.987 0 40 GJAB COc1cccc2cc(C(=O)NCC3(Sc4ccccc4)CCOCC3)oc12 211071356 ZTIMMACEHWYONI-UHFFFAOYSA-N 397.496 4.513 0 40 GJAB CCOCc1cc(C(=O)Nc2cccc(Br)c2)ccc1OCC 224694909 BHKZEYAZGXKKIJ-UHFFFAOYSA-N 378.266 4.637 0 40 GJAB CCCO[C@]1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCC[C@H](C)C1 225667423 XQAHITWTDCTUFW-MGPUTAFESA-N 383.916 4.679 0 40 GJAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O 244514505 ZOUCPCGNRFYCOT-GFCCVEGCSA-N 396.796 4.659 0 40 GJAB Cc1cccc(CN2C(=O)N/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)c1 409245737 YJZGNORIXONHMW-PXLXIMEGSA-N 384.435 4.880 0 40 GJAB Cc1nn(CCNC(=O)CCSc2ccccc2)c(C)c1-c1cccs1 575612352 BTOSTCIZLRSISJ-UHFFFAOYSA-N 385.558 4.527 0 40 GJAB O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)C1(c2cccnc2)CCCC1 629621256 KDJHRYHBCKEFLS-UHFFFAOYSA-N 385.870 4.526 0 40 GJAB CCn1c(-c2ccccc2Cl)nn(CC(=O)Nc2ccccc2C)c1=S 639411 SBTMECXQSAFCRA-UHFFFAOYSA-N 386.908 4.702 0 40 GJAB C[C@H](O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 1447603 IZPSLLVYTVDJFL-AWEZNQCLSA-N 378.863 4.534 0 40 GJAB O=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1cccc2cccnc12 1890054 UIEPKILWLUYTRV-UHFFFAOYSA-N 391.448 4.582 0 40 GJAB CCCCOC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 2321198 YERLGYYDTXMISN-UHFFFAOYSA-N 388.471 4.730 0 40 GJAB COc1ccc(OC)c(/C=C/C(=O)N(c2ccccc2)c2nc(C)cs2)c1 3350547 DETICZPBUBQZPW-FMIVXFBMSA-N 380.469 4.847 0 40 GJAB CC(C)(C)[C@H](/C=C/c1ccc(Cl)cc1Cl)NC(=O)C1(NC=O)CCCC1 3672337 XYZLRTZXWITBMM-LKUPDRCFSA-N 397.346 4.596 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4547964 PKAJJHIBGZCFEY-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 5868174 DKHFTUGLUUUUTL-UHFFFAOYSA-N 392.406 4.530 0 40 GJAB Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(CCc2ccc(F)cc2)c1C 6452113 VKQGOVGYNFVOIS-UHFFFAOYSA-N 399.487 4.896 0 40 GJAB O=C(Nc1nnc(C2CC2)s1)c1cc(-c2cccs2)nn1-c1ccccc1 7007144 FHGYORPFAQHKTR-UHFFFAOYSA-N 393.497 4.582 0 40 GJAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccccc2)n1CC)c1ccccc1 7150477 IFTIVJUGUJVQFI-IBGZPJMESA-N 394.544 4.667 0 40 GJAB Cc1ccc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 7848249 NSUWKKGIAATRRO-XMMPIXPASA-N 399.494 4.914 0 40 GJAB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 7929479 HDNWKBPVBQYLTP-CYBMUJFWSA-N 378.255 4.514 0 40 GJAB Cc1ccc(C)c(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)c1 8012998 WKORVDPOGCIQJW-UHFFFAOYSA-N 384.483 4.904 0 40 GJAB CC(=O)NCc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)s1 8042091 KQLAHCSSVHHSFV-UHFFFAOYSA-N 397.525 4.523 0 40 GJAB COc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 8075279 GMCXBXIHOZZHQA-UHFFFAOYSA-N 389.480 4.539 0 40 GJAB O=C(COc1ccc(F)c(Cl)c1)N[C@@H](c1ccccc1)c1cccs1 8099066 SLGXUYDUDPDGNZ-IBGZPJMESA-N 375.852 4.825 0 40 GJAB COc1ccccc1-c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1 8191037 JSCWLAZUFSSFAQ-UHFFFAOYSA-N 384.530 4.915 0 40 GJAB O=C1[C@H]2CS[C@@H](c3ccc(F)cc3)N2C(=O)N1c1ccc(Cl)c(Cl)c1 8514116 PKNFFUZOOCPTJE-ZBFHGGJFSA-N 397.258 4.715 0 40 GJAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)c1ccc(-c2ccccc2)cc1 8862617 LOQHAVDPCITUSH-QFIPXVFZSA-N 376.525 4.982 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)c1 9199399 DTJAEYFOICEDMO-UHFFFAOYSA-N 380.517 4.808 0 40 GJAB CCc1ccccc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 11481200 XZRIQTSTTVZWII-UHFFFAOYSA-N 375.424 4.837 0 40 GJAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(SCc2cccnc2)cc1 12547792 RUCJTKRJPYQLNN-UHFFFAOYSA-N 388.496 4.822 0 40 GJAB CCN(CC)c1ccc(-c2nnc(SCCOC(=O)c3ccccc3)o2)cc1 12728827 XQZRDNOYJOYCDT-UHFFFAOYSA-N 397.500 4.532 0 40 GJAB Cc1ccc(Cl)c(NC(=O)CN(C)Cc2nc3ccccc3s2)c1Cl 12871764 RUAUEFYIWASGCQ-UHFFFAOYSA-N 394.327 4.982 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)c(C)c1 13041941 RWBSTXPEZKZFJA-IBGZPJMESA-N 395.547 4.633 0 40 GJAB CCOc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 14206791 FBXKAFGHCKTOLJ-UHFFFAOYSA-N 391.402 4.988 0 40 GJAB Cc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)CC3 15842099 MTXRERBGQTUUJC-UHFFFAOYSA-N 380.513 4.592 0 40 GJAB C[C@H](Sc1nncn1-c1cccc(Cl)c1)c1nnc(-c2cccs2)o1 19297849 NRDLGAFRTMDHMO-JTQLQIEISA-N 389.893 4.886 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccccc2Cl)CC1 20612045 YMSPTEPKTOTBEP-UHFFFAOYSA-N 395.261 4.623 0 40 GJAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 23011794 NTLYORZJBGUVTI-UHFFFAOYSA-N 397.438 4.769 0 40 GJAB CN(Cc1cnn(C)c1)C(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 24474084 RYDIPVPRESXQSK-NRFANRHFSA-N 399.947 4.555 0 40 GJAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1cc(Cl)ccc1Cl 33040054 NNUOXGCUWVADRE-LLVKDONJSA-N 381.259 4.594 0 40 GJAB Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 35528079 KIUKGLPAOGDDGK-UHFFFAOYSA-N 375.472 4.703 0 40 GJAB CCc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073562 XVLYZHDXZHVRGT-GOSISDBHSA-N 391.298 4.799 0 40 GJAB CCCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078901 JKYNPBMHPFIXCH-UHFFFAOYSA-N 384.907 4.853 0 40 GJAB CCc1nnc2sc(-c3cccc(NC(=O)c4cccc5ccccc45)c3)nn12 57316923 HYYJTYMLSFOMEB-UHFFFAOYSA-N 399.479 4.821 0 40 GJAB COc1ccccc1[C@H](C)NCC(=O)Nc1ccc(Oc2ccccc2)cc1 58175406 WWCRSTVOZZCPIR-KRWDZBQOSA-N 376.456 4.777 0 40 GJAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc4c(c3)CCC4)cs2)c(C)c1 58372216 GHVMVRRNLUYFDF-UHFFFAOYSA-N 391.492 4.955 0 40 GJAB COc1ccc2cc(CNC(=O)c3c(-c4ccc(F)cc4)noc3C)ccc2c1 58404086 PGVYSCDDGNLLAY-UHFFFAOYSA-N 390.414 4.881 0 40 GJAB COc1c(C)cnc(CN(C)C(=O)Nc2ccc3c4c(cccc24)CC3)c1C 58616307 XLBJXQIGHZDIGP-UHFFFAOYSA-N 375.472 4.623 0 40 GJAB O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccc(C(F)(F)F)c1 60062859 RMHIIAIEHNBBJQ-INIZCTEOSA-N 375.350 4.686 0 40 GJAB CCCc1nc(C(C)(C)NC(=O)c2cnc(-c3ccc(Cl)s3)s2)no1 65403812 OIPWJQUCCLRTID-UHFFFAOYSA-N 396.925 4.526 0 40 GJAB O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1Cc1ccc(Cl)nc1 71800175 RVOLVKQPGGCWND-UHFFFAOYSA-N 388.279 4.875 0 40 GJAB O=C(CCC(=O)N1CCO[C@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 72271169 JHJIQXHRYMZSBL-VWLOTQADSA-N 399.490 4.917 0 40 GJAB Cc1cc([C@@H](O)CNCCCCCCOCCCCc2ccccc2)ccc1O 77286679 CRLOZJFZHGTJNG-VWLOTQADSA-N 399.575 4.924 0 40 GJAB in-vitro COc1ccccc1NC1CCN(Cc2ccc(Br)s2)CC1 79059088 TXXOVXGYZDLIOF-UHFFFAOYSA-N 381.339 4.596 0 40 GJAB O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1ccc(F)cc1 103010926 IFIGIHGBBDXHFN-UHFFFAOYSA-N 382.218 4.693 0 40 GJAB Cc1cc(C)c(C)c(OCC(=O)NCCSCc2cccc(Cl)c2)c1 218964749 UODMERLXFUATNU-UHFFFAOYSA-N 377.937 4.694 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 219041613 CFFWKUXXIUSRIA-MRXNPFEDSA-N 377.440 4.731 0 40 GJAB O=C(CCc1ccccc1)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225262988 FGISZNPBTADZSJ-DEDYPNTBSA-N 393.537 4.712 0 40 GJAB COc1cc(CNC(=S)Nc2ccc(F)c(Cl)c2)ccc1OC(C)C 225531201 QVZZQGRZTRCFIE-UHFFFAOYSA-N 382.888 4.762 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c2ccccc2O1 225590372 VLEIDQCEVSDTIZ-OXQOHEQNSA-N 383.488 4.661 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(SCC(C)C)s1 225817918 DYSSMZBHKMGCGU-OAHLLOKOSA-N 379.551 4.699 0 40 GJAB Cc1nccc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257256027 KJUKPDQUVMZRAK-FQEVSTJZSA-N 387.483 4.530 0 40 GJAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(Cl)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257259097 KWVFJMZLSMEMLA-LUXPHIFBSA-N 379.928 4.518 0 40 GJAB C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc(C)c1)[N+](=O)[O-] 408536841 SSHAJDZOPPIVNF-FMIVXFBMSA-N 376.206 4.614 0 40 GJAB COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)sc2c1CCC2 408563815 RCZWDQUAKXQUAP-SNVBAGLBSA-N 395.933 4.796 0 40 GJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c1 408603664 GTORBJKBPKSPHJ-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CC(C)CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2s1 408750841 SIHZVJIXSOBJDL-UONOGXRCSA-N 392.546 4.874 0 40 GJAB Cc1sc(NC(=O)COC(=O)c2ccccc2Cl)nc1-c1ccccc1 409207033 ZDGLBGKLLRBXIF-UHFFFAOYSA-N 386.860 4.567 0 40 GJAB C[C@H]1CCc2c(C(=O)N3CCC[C@H](c4cc(C(F)(F)F)n[nH]4)C3)csc2C1 461966175 OEHQTOIYIZHZNC-RYUDHWBXSA-N 397.466 4.635 0 40 GJAB O=Cc1c(Br)cccc1-n1ccc2cc(C3CC3)cc(F)c2c1=O 504500665 MRNFPDCNLQDCDO-UHFFFAOYSA-N 386.220 4.582 0 40 GJAB Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC[C@@H](N2CCCC2=O)CC1 573547720 HHRHLGVBEDNDNX-MRXNPFEDSA-N 399.922 4.810 0 40 GJAB COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C3CC3)nn2-c2ccccc2)cc1 590720258 CVQTZHRIIHHXGC-JOCHJYFZSA-N 387.483 4.563 0 40 GJAB O=c1c2cc(Cl)c(F)cc2ncn1CCCOc1cccc2ccccc12 1166256736 PGRFXNXZGSTAOY-UHFFFAOYSA-N 382.822 4.811 0 40 GJAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3ccccc3)c(=O)[nH]c12 790265 INFVTWPCAFQRHU-UHFFFAOYSA-N 382.463 4.679 0 40 GJAB Cc1ccc(S(=O)(=O)N(C2=NCCCS2)c2cccc3ccccc23)cc1 1327941 CSLIONSQAGVMBM-UHFFFAOYSA-N 396.537 4.836 0 40 GJAB CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc(C(C)=O)c1C 2241580 MOECWMHKSICLRP-UHFFFAOYSA-N 389.864 4.776 0 40 GJAB CCOC(=O)c1c(C)nn2c1N[C@@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F 2279188 WQNJTZOQAWCSIM-CHWSQXEVSA-N 387.789 4.682 0 40 GJAB CCOc1cc(-c2nc3c4c(C)c(C)sc4ncn3n2)ccc1OC(F)F 2790919 JHAUXUXJXHRPMA-UHFFFAOYSA-N 390.415 4.623 0 40 GJAB O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)Nc1cccc(F)c1 4162833 RYLUZLLJVMPDIU-LJQANCHMSA-N 396.443 4.628 0 40 GJAB Cc1sc2nc([C@H](C)Sc3nc4cc(Cl)ccc4[nH]3)[nH]c(=O)c2c1C 4406886 ANEIVCGFTILYTE-VIFPVBQESA-N 390.921 4.984 0 40 GJAB O=S(=O)(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1 4501733 HUKWTXCVDHHDGH-UHFFFAOYSA-N 384.844 4.949 0 40 GJAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)CC(C)C 5944620 KBAMEXUNSNYEGI-UHFFFAOYSA-N 399.541 4.831 0 40 GJAB Cc1ccc(OCCCn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc1 6753130 RUDDFYQPRFDMJA-UHFFFAOYSA-N 399.494 4.744 0 40 GJAB Cc1ccccc1NCc1ccc(C(=O)OCC(=O)c2ccc(F)cc2)cc1 6896039 MZNTUYSPVAFNLF-UHFFFAOYSA-N 377.415 4.786 0 40 GJAB COc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCC2)cc1 7275517 AMBXJYYWVMNZCA-UHFFFAOYSA-N 388.414 4.568 0 40 GJAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928401 ACZPPPZUIZVIHH-CYBMUJFWSA-N 377.271 4.547 0 40 GJAB CC(=O)[C@@H](C)OC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 7985893 ATEGVSMTDAFKRY-GFCCVEGCSA-N 386.498 4.594 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)Cc1ccc(Br)cc1 8279387 SKCQIYZGSNBJGR-LBPRGKRZSA-N 389.318 4.821 0 40 GJAB COc1ccc(CN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C2CC2)cc1 8721404 VIKGZBVHUGDJPX-UHFFFAOYSA-N 397.478 4.839 0 40 GJAB CCc1ccc(-c2noc(CSc3nnc(-c4ccc(C)cc4)n3C)n2)cc1 8944337 RBSJZIACEPLADT-UHFFFAOYSA-N 391.500 4.695 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)cc1 9199408 LNPYDKZAERDZCO-UHFFFAOYSA-N 380.517 4.808 0 40 GJAB Cc1cc(OCC(=O)Nc2cccc(OC(C)C)c2)ccc1Br 10715452 HFGIDBUTGXCLLO-UHFFFAOYSA-N 378.266 4.562 0 40 GJAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1Cl 11667279 WUEZOPBJOSUMQZ-CQSZACIVSA-N 379.847 4.822 0 40 GJAB COC(=O)c1cc(-c2ccccc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 12397204 ZZHIHKWZIUEZBL-UHFFFAOYSA-N 387.414 4.891 0 40 GJAB CCc1nnc(NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)s1 12523148 DJEKRDUBLAAUGJ-UHFFFAOYSA-N 393.394 4.510 0 40 GJAB COc1ccc(NC(=O)CSc2ccc(Br)cc2C)c(OC)c1 12767647 XSTQRAZCSXAEJG-UHFFFAOYSA-N 396.306 4.506 0 40 GJAB Cc1ccc(-c2ccsc2C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 12938096 LSUJBQYLURYCKZ-OAHLLOKOSA-N 399.537 4.618 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(C(C)(C)C)cc2)c1 15827783 SMVWEQJZKRUVHT-OAQYLSRUSA-N 397.515 4.744 0 40 GJAB COc1cccc(-n2c3c(c(SCc4ccc(Cl)cc4)nc2=O)CCC3)c1 15840564 UCZCNIXZKJMXMN-UHFFFAOYSA-N 398.915 4.676 0 40 GJAB CC(C)C(=O)Nc1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1 20672907 YKEXIGIMBGWKSO-UHFFFAOYSA-N 395.484 4.919 0 40 GJAB CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 20969031 OWTLYUSMUJCCDD-UHFFFAOYSA-N 385.939 4.647 0 40 GJAB CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H]2CCCO2)cc1 23078408 HRHCLCMKDJSCCC-NRFANRHFSA-N 389.499 4.572 0 40 GJAB Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3cc(Cl)ccc3o2)o1 27664713 OCGMDPOTWCLAHE-UHFFFAOYSA-N 397.814 4.783 0 40 GJAB Cc1nc(COc2cccc(C(=O)N(Cc3ccccc3)C3CC3)c2)cs1 31087227 ZDFPDVPCQPGEGV-UHFFFAOYSA-N 378.497 4.835 0 40 GJAB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1C1CCCCC1 32850747 ZZRMWQAZHUQYNU-OAHLLOKOSA-N 381.476 4.582 0 40 GJAB Cc1nc(Cc2ccccc2)sc1C(=O)NCc1nc2ccccc2s1 32913842 CFMULDSDESGNSZ-UHFFFAOYSA-N 379.510 4.582 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3cccs3)n2)cc1 33012674 BIJFNEMIHXYIIH-UHFFFAOYSA-N 377.425 4.726 0 40 GJAB CCc1ccccc1NC(=O)CSCc1cc(=O)c2cc(Cl)ccc2[nH]1 33064166 BGRLIFHXRUBXFA-UHFFFAOYSA-N 386.904 4.616 0 40 GJAB COC(=O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1Cl 36409298 UQHKKVOOPYVHAL-UHFFFAOYSA-N 398.619 4.648 0 40 GJAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(-c2ccco2)nc2onc(C)c12 36742229 ZXEHKSQJANKEGP-CQSZACIVSA-N 391.427 4.633 0 40 GJAB CC(C)c1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)c(C(C)C)c1 40104925 XNJXCTACVMEVDD-UHFFFAOYSA-N 380.536 4.678 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1cccnc1NCCc1ccccc1 40556534 JMTOPNNXIBUVSJ-UHFFFAOYSA-N 381.863 4.651 0 40 GJAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1ccccc1Cl 44836623 CAAGITBMHOWLGB-UHFFFAOYSA-N 393.624 4.510 0 40 GJAB C[C@H](OC(=O)c1cc2c(s1)CCCCCC2)c1nc(-c2cccnc2)no1 45916032 XTTXXRZOCWGNMI-ZDUSSCGKSA-N 383.473 4.770 0 40 GJAB Cc1cc(-c2oc(/C=C/C(N)=O)cc2Br)c(C)cc1Br 45957934 NAPURYHURGCJMU-ONEGZZNKSA-N 399.082 4.587 0 40 GJAB CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@@H](c1cccc(F)c1)c1ccccn1 58325165 ZBZCLYBNCBVMIG-QHCPKHFHSA-N 394.421 4.571 0 40 GJAB CCCCOc1ccc(-c2cc3c(=O)n(Cc4cccc(F)c4)ccn3n2)cc1 64977372 GODREPJBPUCTSR-UHFFFAOYSA-N 391.446 4.529 0 40 GJAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 65322205 RPIRTQJKECHNPO-UHFFFAOYSA-N 390.531 4.993 0 40 GJAB COC(=O)c1ccc(-c2ccc([C@@H]3CC(O)=Nc4c3cnn4C(C)C)o2)cc1 71283589 GJUHEDVKZWLXJA-OAHLLOKOSA-N 379.416 4.634 0 40 GJAB CS[C@@H]1CC[C@@H](N(C)C(=O)c2oc3ccc(Br)cc3c2C)C1 78934078 WRZKMBVTXLMZTE-CHWSQXEVSA-N 382.323 4.860 0 40 GJAB CSc1ccccc1C(=O)NCc1ccc([C@H](O)c2cccs2)s1 90613549 ZMMDULGBNALOBP-QGZVFWFLSA-N 375.540 4.543 0 40 GJAB FC(F)(F)Oc1cccc2c1[C@@H]1O[C@H]2C(Br)=C1Br 95611616 CXXOZCNTZGCSRJ-ZJUUUORDSA-N 385.961 4.713 0 40 GJAB COCCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c1c1ccccc1n2C 96037237 ZJXTYEKVCUWWCQ-UHFFFAOYSA-N 395.890 4.994 0 40 GJAB CCc1ccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)cc1 102529181 FBRAUHGJUCEDPW-UHFFFAOYSA-N 397.478 4.745 0 40 GJAB N=C1S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)[C@H]1c1nccs1 136959560 QUEKEHPZOVULRU-AOXLQZBSSA-N 396.449 4.519 0 40 GJAB Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)cc1 219300643 ZERIMYXZWAVVLV-KRWDZBQOSA-N 393.487 4.594 0 40 GJAB CSc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(Cl)cc1Cl 223432661 IMZPTNRFHHWLBZ-UHFFFAOYSA-N 396.748 4.847 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC(C)(C)CC(C)(C)C)cc1 225110184 YVZFQUADCLCSNR-RGEXLXHISA-N 382.504 4.690 0 40 GJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCC 225313215 CFTKHLRMPXWAME-QHCPKHFHSA-N 394.559 4.651 0 40 GJAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc4sncc4c3)cc2)n1 225912658 ILEFRMPNIPAZTN-UHFFFAOYSA-N 375.457 4.699 0 40 GJAB COC1=CC=C2[C@H]3Cc4ccc(OC)c(Oc5ccccc5)c4[C@@]2(CCN3C)C1 253505528 WZTKOQWLQWUDKG-BWKNWUBXSA-N 389.495 4.846 0 40 GJAB biogenic,in-vitro CC1(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CCC1 309683585 AFMLUKXMCIVXBQ-HXUWFJFHSA-N 379.456 4.559 0 40 GJAB CCCOc1cccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)c1 408628372 RZTHDZHGWHDLFR-UHFFFAOYSA-N 399.541 4.829 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)oc12 408701388 XEYHVNUOXSSPBS-UHFFFAOYSA-N 392.455 4.710 0 40 GJAB CCn1c(COc2ccccc2OC)nnc1SCc1ccccc1Cl 409346914 OUAOYDUYDMZGHK-UHFFFAOYSA-N 389.908 4.831 0 40 GJAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)Nc1ccc(CC(=O)NC(C)C)cc1 585100385 VIYPJPGJEKFTRH-OAQYLSRUSA-N 393.531 4.740 0 40 GJAB O=C(Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1)N1CC[C@@]2(O)C[C@H]2C1 666852890 LBVKSERXVXJWTK-RNODOKPDSA-N 399.903 4.605 0 40 GJAB Fc1ccc(-c2noc(CCCc3nc([C@@H]4CCc5ccccc54)no3)n2)cc1 680750129 DZQWFPFTIICGSJ-GOSISDBHSA-N 390.418 4.512 0 40 GJAB Cc1cnc(F)cc1-c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1 1615612124 AHEVMNWQOSTWER-UHFFFAOYSA-N 392.365 4.638 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nc2ccc(OC)cc2cc1C 875788 QEGWLCYQNHVRNM-UHFFFAOYSA-N 382.485 4.681 0 40 GJAB Nc1ccc(C(=O)Nc2ccc3nc(NC(=O)C4CCCCC4)sc3c2)cc1 911899 GDRVXKOAYQLIMO-UHFFFAOYSA-N 394.500 4.650 0 40 GJAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)N1CCCc2ccccc21 976186 WGZOMIZWIICYGQ-UHFFFAOYSA-N 394.478 4.592 0 40 GJAB O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccccc1 1086644 ADNOQNYPWNRMIF-FQEVSTJZSA-N 398.384 4.756 0 40 GJAB CCOc1ccc(Cc2onc3c2C(=O)C[C@@H](c2ccccc2)C3)cc1OCC 1421811 QRGJQOZDMWXVAZ-SFHVURJKSA-N 391.467 4.976 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1CCc1ccccc1 2201375 RMXDZJCLMBQERZ-QFIPXVFZSA-N 399.421 4.720 0 40 GJAB CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCC4 2387079 LDNISAMGWNRYCU-UHFFFAOYSA-N 384.555 4.842 0 40 GJAB CCCCCCOC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2396859 PRVUKGSPBCIITH-UHFFFAOYSA-N 388.471 4.893 0 40 GJAB CCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c1ccc(C)c(C)c1 2466956 MUBMDXBSXYZPHV-UHFFFAOYSA-N 391.496 4.501 0 40 GJAB COc1cc(-c2csc(N3CCCc4ccccc43)n2)cc(OC)c1OC 3256628 PIQJSXYHUNWNPE-UHFFFAOYSA-N 382.485 4.920 0 40 GJAB c1ccc(-c2csc3ncnc(NC[C@H]4COc5ccccc5O4)c23)cc1 3348925 MPKXYNWKQLMDJS-HNNXBMFYSA-N 375.453 4.610 0 40 GJAB CC(C)(C)C1CCC(C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)CC1 3349982 GHCGNVJADQJPRF-UHFFFAOYSA-N 398.528 4.805 0 40 GJAB Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccccc2)c1C 3428948 VJBPXZRFNICZKI-QHCPKHFHSA-N 384.479 4.509 0 40 GJAB COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1 4088731 WWKJDOGCFTVDMI-UHFFFAOYSA-N 385.876 4.533 0 40 GJAB O=C(CSc1nccn1-c1cccc(C(F)(F)F)c1)Nc1cccc(F)c1 4248704 YEPGGHAHPUJLPN-UHFFFAOYSA-N 395.381 4.761 0 40 GJAB CCCCc1ccc(NCN2C(=O)S/C(=C\c3ccccc3O)C2=O)cc1 4357325 UGHNMGIEMIJHJA-UYRXBGFRSA-N 382.485 4.841 0 40 GJAB COc1ccc(Cc2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1 4784604 BOPBMBUAVHXSCF-UHFFFAOYSA-N 391.283 4.759 0 40 GJAB C[C@@H]1CCCC[C@@H]1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 5053566 COGHPZMQUJHMAS-CDYLQHMOSA-N 375.944 4.813 0 40 GJAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)c1 5294703 VEMVIDBRAHPWAU-UHFFFAOYSA-N 397.500 4.811 0 40 GJAB CCSc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 6232326 NWRXAJARDJIUPM-UHFFFAOYSA-N 394.374 4.829 0 40 GJAB CCOc1ccccc1OCCCC(=O)Nc1ccc(OC(F)(F)F)cc1 6510594 BOXDQRVHDYXETP-UHFFFAOYSA-N 383.366 4.782 0 40 GJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)/C=C/c2ccccc2)cc1 6630432 KPSFGMCGAJYTAU-MDWZMJQESA-N 386.451 4.505 0 40 GJAB CCOc1ccc([C@@H]2CCCN2Cn2ncn(-c3ccccc3C)c2=S)cc1 7317576 PQWGEMUMHBFNJY-NRFANRHFSA-N 394.544 4.905 0 40 GJAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 7504842 QIUIKZVAUDDCDK-UHFFFAOYSA-N 388.964 4.994 0 40 GJAB CCN(c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1)C(C)C 7783205 DBOHVZAPIJKXFE-UHFFFAOYSA-N 388.895 4.988 0 40 GJAB O=C(Nc1cccnc1Cl)c1cccc(-c2cc3ccccc3oc2=O)c1 8071871 CPFAVWWGUFDIFS-UHFFFAOYSA-N 376.799 4.761 0 40 GJAB O=C(Nc1ccc(F)cc1)c1ccccc1NCc1cn2cc(Cl)ccc2n1 8134242 LYGCIPDQBBVPGA-UHFFFAOYSA-N 394.837 4.991 0 40 GJAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)c1nnc(Cc2ccc(Cl)cc2)o1 8782564 LVLHKDJYXAIIEH-SNVBAGLBSA-N 384.789 4.641 0 40 GJAB Cc1ccc([C@H](C)C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)cc1 12184115 AAJCHQJPUJKUAB-INIZCTEOSA-N 392.524 4.830 0 40 GJAB COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 12194565 KKXRNXMJXBUPIB-UGKGYDQZSA-N 388.423 4.617 0 40 GJAB Cc1cc(C)c2c(NC(=O)C3CC3)c(C(=O)N(C)c3ccccc3)sc2n1 12446484 JHNCQUIADQVIFH-UHFFFAOYSA-N 379.485 4.538 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(N)c3c(C)c(C)sc3n2)c1 12539263 UOFVKSOMRXPAAG-CYBMUJFWSA-N 386.546 4.626 0 40 GJAB COc1cccc(NC(=O)[C@@H](Nc2ccc3oc(C)nc3c2)c2ccccc2)c1 12555546 PQHGGPXTTZYFMP-QFIPXVFZSA-N 387.439 4.937 0 40 GJAB COc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1Cc1ccccc1 12559331 PDAVZGVTVATHOV-UHFFFAOYSA-N 385.467 4.734 0 40 GJAB O=C(/C=C/c1ccc(Br)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12604110 PUGMVCYYFIHKLO-PEKVBPLLSA-N 396.288 4.702 0 40 GJAB CSc1ccccc1NC(=O)Cc1csc(COc2ccc(F)cc2)n1 12790830 VIDOLCXUYNSLTN-UHFFFAOYSA-N 388.489 4.764 0 40 GJAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cc(Cl)ccc1Cl 12871736 XQMLXLPHZHBDDT-UHFFFAOYSA-N 395.330 4.655 0 40 GJAB COC(=O)c1sccc1Oc1ccccc1NC(=O)CCc1ccccc1 12950958 TWJUOUYQSVLPFM-UHFFFAOYSA-N 381.453 4.898 0 40 GJAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)CC(C)C)n(C(C)C)c1C 13719707 QZKBVFFZYPCKPF-UHFFFAOYSA-N 376.522 4.503 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 13999542 DXZBIHBTVMWYHS-SFHVURJKSA-N 388.467 4.504 0 40 GJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 14400661 VEOZZUODYAYYBI-UHFFFAOYSA-N 388.895 4.666 0 40 GJAB COc1ccc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 22258333 LSTGRHZERYZONI-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1(c2ccc(Cl)cc2)CC1 22924498 LARLSBSZAMMFQG-UHFFFAOYSA-N 398.871 4.863 0 40 GJAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cc2ccccc2o1 23695205 SRJSMKJDVKYTQX-GFCCVEGCSA-N 380.425 4.831 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)Cc1ccccc1N1CCCC1 24190988 AXDHGJVHGZNHLS-UHFFFAOYSA-N 391.540 4.991 0 40 GJAB Cc1ccc(OCc2nc(CC(=O)N(C)[C@H](C)c3ccccc3)cs2)cc1 25615610 WRPOFHPHXDALCK-QGZVFWFLSA-N 380.513 4.793 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(Cl)c2)cc1C 28183481 LBBZRUKHXNULPX-UHFFFAOYSA-N 376.909 4.576 0 40 GJAB CC(C)c1ccc(OCCCC(=O)Nc2nccs2)c(Br)c1 28232724 KKJVOHKHFRKUOY-UHFFFAOYSA-N 383.311 4.827 0 40 GJAB Cc1cccc(C)c1NC(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 28239290 YOKJRCDUBDFOCX-UHFFFAOYSA-N 389.377 4.808 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)c3c(C)noc3C(C)C)s2)cs1 32837335 ZAWOMGBCNHTGQW-UHFFFAOYSA-N 375.519 4.572 0 40 GJAB Cc1nc2ccccc2n1CCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 32900454 FXOAXJWWIFCJEN-AWEZNQCLSA-N 387.936 4.685 0 40 GJAB Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)N1CCN(c2ccccc2)CC1 54114280 DUHNMPWAWHWCHD-RUZDIDTESA-N 382.511 4.783 0 40 GJAB Cc1cc(NC(=O)c2cccc(Cl)c2)cc(C)c1I 57313324 CCCHFSZPCCXGHX-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB CC(C)n1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C(F)(F)F 58227591 CKJGMGIRMSQZLA-UHFFFAOYSA-N 381.276 4.634 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)NCc1cccnc1Oc1cccc(F)c1 71912502 UJNSFDIOLVDSLK-OAHLLOKOSA-N 377.419 4.674 0 40 GJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NC(=O)C2CC2)s1 72277165 ONCNXNQDKIKQTR-QZTJIDSGSA-N 382.529 4.895 0 40 GJAB COc1ccc([C@@H](C)NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1F 78413769 ZQLDFKVNPQUUIQ-CQSZACIVSA-N 394.450 4.780 0 40 GJAB CC[C@@]1(C)CCCN(C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)C1 78947305 JAXSPNSSADIXMA-NLFFAJNJSA-N 392.543 4.731 0 40 GJAB CSc1ccccc1C(=O)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 90613805 XNUWISBSLTUNRZ-MRXNPFEDSA-N 382.312 4.929 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccccc2F)CC1 96625967 RCVKDZZHCJEXJC-UHFFFAOYSA-N 395.522 4.667 0 40 GJAB O=C(/C=C\c1ccc2c(c1)OCO2)N1CCc2sccc2[C@H]1c1cccs1 96920691 UYXGAPLXORYZNP-CDFDFNMFSA-N 395.505 4.726 0 40 GJAB S=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423262 FKKFVJQSKCKZDV-PMACEKPBSA-N 385.964 4.822 0 40 GJAB COc1ccccc1NC(=O)CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100846025 PFMKOYOWCGERCV-IHWOHKJGSA-N 378.310 4.758 0 40 GJAB CC[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 223077365 FEFJNTGHMKEONQ-FQEVSTJZSA-N 395.927 4.929 0 40 GJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1OC)c1ccc2c(c1)CCCC2 223106448 GGCAZBFGUKFZTH-LEWJYISDSA-N 381.516 4.999 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSC1CCCCC1 223831252 JYENJCDYTXEVRU-OAQYLSRUSA-N 375.578 4.905 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)c(C)c1 225306888 ZDZVMUAODLBKAE-UHFFFAOYSA-N 397.327 4.965 0 40 GJAB CCOc1cccc(NC(=S)NCCCSCc2ccccc2F)c1 225612766 RMDBCMHUCKWTDW-UHFFFAOYSA-N 378.538 4.834 0 40 GJAB O=C(CCSc1ccccc1)N1CCC(Oc2cccc3cccnc23)CC1 225705521 OYJBVESLFIXYHX-UHFFFAOYSA-N 392.524 4.787 0 40 GJAB CCCCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1 226352763 NKPWSBYLTAZHMX-UHFFFAOYSA-N 380.238 4.926 0 40 GJAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC5(C[C@]4(C)[C@H]3CC[C@]12C)OCCO5 257350360 WNKZGFORAZKXGS-PPUJWOGTSA-N 376.537 4.704 0 40 GJAB O=C1N/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1Cc1ccccc1 409239979 IVGBBBQYWGSSNO-RCCKNPSSSA-N 386.476 4.931 0 40 GJAB CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1scnc1C 622494337 WMZPOYNMHDZHAB-INIZCTEOSA-N 397.466 4.601 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)NCc4cccc(Cl)c4)c(N)c3cc2C1 661736 FKLDAMCNCVRCFG-GFCCVEGCSA-N 399.947 4.977 0 40 GJAB Cc1cccc(OCC(=O)Nc2cc(NC(=O)c3cccs3)ccc2C)c1 1329994 ZDYJXKCVFAYFPI-UHFFFAOYSA-N 380.469 4.635 0 40 GJAB Cc1ccc(-c2cc(NC=O)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1 1405071 NPLSVMWJNGDGGJ-UHFFFAOYSA-N 378.432 4.679 0 40 GJAB O=c1c2c(nc(SCc3ccc(Cl)cc3)n1-c1ccccc1)CCS2 2719726 KLOLJZLHEWDCPM-UHFFFAOYSA-N 386.929 4.826 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](Nc1ccc2c(c1)OCO2)c1ccccc1 3290570 GRHJTZVRERTLMA-QFIPXVFZSA-N 390.439 4.524 0 40 GJAB COc1ccccc1C(=O)CSc1nnc(Nc2cccc(C)c2C)s1 3362003 HNWBEIRDNYSCHC-UHFFFAOYSA-N 385.514 4.882 0 40 GJAB CSc1nnc(-c2cc3c(C(F)(F)F)nn(C)c3s2)n1-c1ccccc1 4051974 IFRXYMJAYOJQAX-UHFFFAOYSA-N 395.435 4.623 0 40 GJAB CCCCC(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 4078217 XDFSYHCBHQCZNX-UHFFFAOYSA-N 375.441 4.978 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccccc2Cl)s1 4079070 JUEHHBNYLSFJPM-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CCCCNC(=S)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O 4134128 JOHLWDNMCMWXQB-UHFFFAOYSA-N 399.585 4.575 0 40 GJAB CCC(=O)Nc1cccc(-c2nnc(SCc3ccc(Cl)cc3)n2C)c1 4699389 XBTICIMYWGCVQL-UHFFFAOYSA-N 386.908 4.776 0 40 GJAB O=C1CCCCC[C@H]1[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 4769845 KDRIXBWHNIATND-ATIYNZHBSA-N 399.490 4.724 0 40 GJAB O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(C2CCCCC2)cc1 4968091 JPNYTMDVGNRUFI-UHFFFAOYSA-N 387.483 4.597 0 40 GJAB Cc1ccc2sc(N(CCN(C)C)C(=O)/C=C/c3cccs3)nc2c1C 5121561 FUVLKWHECVRJND-CSKARUKUSA-N 385.558 4.583 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)OCC(=O)c3ccccc3)cccc2c1=O 5245796 IRTGKBDHGLDTGW-UHFFFAOYSA-N 398.414 4.808 0 40 GJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2)N1CCc1ccccc1 5577235 RHYUYBIUOZIZJK-QFIPXVFZSA-N 399.421 4.720 0 40 GJAB Cc1cc(O)c(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)[nH]n2)cc1C 5690915 DXEQQKAMPZVJBG-UHFFFAOYSA-N 375.350 4.670 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc2ncccc12 6475776 KELBSGMQCFXVQM-HSZRJFAPSA-N 395.462 4.735 0 40 GJAB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 6563806 AINFRCYDADKZPD-KTZOAPACSA-N 385.510 4.540 0 40 GJAB Cc1ccc(Nc2nnc(S[C@H](C(=O)N(C)C)c3ccccc3)s2)cc1 6830448 KKHQFCZADUXJLZ-INIZCTEOSA-N 384.530 4.512 0 40 GJAB Cc1ccc(Nc2nnc(S[C@@H](C(=O)N(C)C)c3ccccc3)s2)cc1 6830449 KKHQFCZADUXJLZ-MRXNPFEDSA-N 384.530 4.512 0 40 GJAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc2ccccc2c1 7389383 CCCWQIXNSAZCCU-UHFFFAOYSA-N 379.419 4.973 0 40 GJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CCCCC1 7608999 LAXWVBLZORPGFE-UHFFFAOYSA-N 375.472 4.610 0 40 GJAB Cc1cc(C)c(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)c(C)c1 7616038 ZUUKDDJWDMSTKS-UHFFFAOYSA-N 397.478 4.627 0 40 GJAB O=C(CCC(=O)c1cccs1)Nc1ccc(-c2cn3ccsc3n2)cc1 8280162 ZAGRSDXXTGDZJK-UHFFFAOYSA-N 381.482 4.726 0 40 GJAB O=C(c1csc(-c2cccs2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8366811 ZKEVPISLFIPFLD-HNNXBMFYSA-N 398.509 4.620 0 40 GJAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 9052731 FUDZOTDDZLMYGZ-GYAHLDOBSA-N 397.474 4.516 0 40 GJAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 9573391 XRGPZTXJHDNBKY-UHFFFAOYSA-N 389.503 4.936 0 40 GJAB CC[C@@H](C)Nc1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1 9622847 GPLBZDGUOXJBOI-CQSZACIVSA-N 376.439 4.909 0 40 GJAB O=C(COc1ccc(Br)cc1Cl)N1CCC[C@H]1c1ccccc1 9957056 OPHGPJBBEYFBQW-INIZCTEOSA-N 394.696 4.845 0 40 GJAB O=C(CCc1ccccc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 10458010 WARGUDYYXUWAIH-UHFFFAOYSA-N 384.907 4.928 0 40 GJAB CCn1/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)sc2cc(C(=O)OC)ccc21 12180913 PCSGKPZWKYZSAF-XTQSDGFTSA-N 396.512 4.548 0 40 GJAB CCc1nc(C)c(C(C)=O)c(SCc2cc(=O)oc3c(C)c(C)ccc23)n1 12821098 LCOJPPBVEKGRJF-UHFFFAOYSA-N 382.485 4.566 0 40 GJAB C[C@@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 12909107 CLJBSRIKGZFGFB-ZMZPIMSZSA-N 381.278 4.803 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 13057027 ULKQIIUEFBKMIJ-UHFFFAOYSA-N 398.450 4.805 0 40 GJAB CC(C)c1ccc([C@@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 14095376 ZIUXZLXKLQSIGH-JOCHJYFZSA-N 389.528 4.726 0 40 GJAB COc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c(C(C)=O)c1 14200701 CZEIINXFMPZXFA-UHFFFAOYSA-N 391.423 4.708 0 40 GJAB COc1cccc(CN[C@H](Cc2cccs2)c2nc(C)c(C)s2)c1OC 19559643 SCMXKEIGKIMXCT-QGZVFWFLSA-N 388.558 4.912 0 40 GJAB Cc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc(C(=O)O)c1O 20140398 MHDZGCDHOUZMNZ-UHFFFAOYSA-N 389.766 4.704 0 40 GJAB COc1ccc(-c2cc3nc(C)cc(N[C@@H](C)c4ccccc4)n3n2)cc1OC 21150328 CGEKODPTIMJPDU-INIZCTEOSA-N 388.471 4.895 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 22990548 PHTOAVBENUYXFF-LBPRGKRZSA-N 381.501 4.685 0 40 GJAB CCOc1ccc(Nc2ncccc2C(=O)OCc2nc3ccccc3o2)cc1 23078691 LGGALAGBBQDIEG-UHFFFAOYSA-N 389.411 4.722 0 40 GJAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c2C)c1 24833464 OKCOKDYOCBDXMC-UHFFFAOYSA-N 391.805 4.996 0 40 GJAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 27824437 YSNIWDWXGBYDJA-GASCZTMLSA-N 387.973 4.884 0 40 GJAB COc1cccc(OCc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)o2)c1 28225311 RUHBORVVHSAFKM-UHFFFAOYSA-N 387.819 4.782 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)cc1 30752541 WRLGEFGXSZLIGE-AWEZNQCLSA-N 395.977 4.879 0 40 GJAB CCCCN1C(=O)COc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc21 32593475 OVTZWTGBQHKIQU-UHFFFAOYSA-N 396.418 4.658 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2noc(-c3ccc(F)cc3)n2)cc(C)c1Cl 32624283 CYHNIZZQPLTLFS-LBPRGKRZSA-N 389.814 4.552 0 40 GJAB Cc1cc2nc(C)c(CCC(=O)N(C)[C@H](C)c3cc4ccccc4o3)c(C)n2n1 32753946 FPHFRDMKIPDBMC-QGZVFWFLSA-N 390.487 4.553 0 40 GJAB COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C)c(C)c2)c2ccccc2)c1 32909979 BBHPHDIDHVNEQL-QFIPXVFZSA-N 389.451 4.849 0 40 GJAB CSCc1cccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1 32924764 JUGJFPMWOVFSJI-UHFFFAOYSA-N 382.460 4.806 0 40 GJAB O=C(NCc1cccc(NC(=O)C2CC2)c1)Nc1ccc2c(c1)Cc1ccccc1-2 40024066 VEUSIMCGPGIDPK-UHFFFAOYSA-N 397.478 4.928 0 40 GJAB Cc1cccc(-c2nn3c(=O)cc(COc4ccc(Cl)c(C)c4)nc3s2)c1 41076391 SZLIONYQMRYAJL-UHFFFAOYSA-N 397.887 4.667 0 40 GJAB CC1CCN(Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)CC1 44918608 BTRYEOPZMYGFHE-JOCHJYFZSA-N 392.543 4.951 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(CC(=O)Nc4ccccc4Cl)CC3)c2c1 53055549 SXWDISJBLPYSGY-UHFFFAOYSA-N 395.890 4.558 0 40 GJAB COc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nccs3)c2)c(OC)c1 56777832 XDUZYMKCDBZFMM-CYBMUJFWSA-N 383.473 4.710 0 40 GJAB CCc1ccc2cc(CNc3ccc(N4CCC(C)CC4)cc3)c(=O)[nH]c2c1 57712729 ZQNBNKIGZJVABY-UHFFFAOYSA-N 375.516 4.939 0 40 GJAB Cc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(Cl)cc1Cl)C3 61997659 RUEISSBADOGWSW-UHFFFAOYSA-N 376.239 4.760 0 40 GJAB biogenic COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 67259198 CNAFWNOGHZLPAR-UHFFFAOYSA-N 392.455 4.826 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2Cc2cn(C)nc2C)n1 72370034 YBLLKULAZVMDPK-HSZRJFAPSA-N 378.495 4.965 0 40 GJAB CCN(C(=O)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1)C(C)C 96155411 KAZTXGWRFJKCMU-UHFFFAOYSA-N 390.462 4.802 0 40 GJAB O=C(NCC1(Sc2ccccc2)CCOCC1)c1ccc(F)cc1Cl 96331038 YWHVOWJJOUTKKY-UHFFFAOYSA-N 379.884 4.550 0 40 GJAB COc1ccccc1CC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 206997017 JHKLWLPYGWXVFT-LJQANCHMSA-N 375.921 4.598 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 219291181 CAXHKILDXNWKCU-MRXNPFEDSA-N 375.896 4.644 0 40 GJAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc12 222644925 ASWDJZWJIBJBTB-MRXNPFEDSA-N 379.456 4.967 0 40 GJAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 225334225 XCAFWZHLMHHBAG-PMACEKPBSA-N 379.485 4.639 0 40 GJAB CCOCCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225370735 OAJPAIWLPJGMQM-UHFFFAOYSA-N 398.572 4.928 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NC[C@H](CC)Cc2ccccc2)c(C)c1 225632609 GBUZWUIXJOATOI-QGZVFWFLSA-N 384.545 4.727 0 40 GJAB CO[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(Cl)s1 225703207 DXBADFOKIUXURJ-CYBMUJFWSA-N 388.316 4.716 0 40 GJAB Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 225815945 GJJSHGMTMHRIIY-UHFFFAOYSA-N 375.350 4.635 0 40 GJAB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 227486313 SKGUYWZGWINNMG-CVDCTZTESA-N 390.439 4.929 0 40 GJAB C[C@@H]1CCCN(Cc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)C1 260577725 JRTWPQZASLBWHL-GCJKJVERSA-N 392.543 4.951 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1-c1ccc(Cl)cc1 409096810 FBYYXQZZYSNNFH-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB COc1cc(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1O 409125197 JJTOARPVZNUUJB-OVCLIPMQSA-N 381.881 4.671 0 40 GJAB O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 507388441 FZMPEFHKKYSIFF-KEZOAJOQSA-N 388.511 4.937 0 40 GJAB CC(C)CC(=O)N1CCC(CN2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1 585080520 FXOFFHOMLPBCBX-UHFFFAOYSA-N 399.554 4.771 0 40 GJAB C[C@H](NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)c1cnn(CC2CCC2)c1 1637143779 BAIDYEIVBQLIQI-HNNXBMFYSA-N 378.520 4.953 0 40 GJAB Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 646559 PHDKXDNMEWCUCV-UHFFFAOYSA-N 393.390 4.795 0 40 GJAB COc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3 873231 LRBJSXTUQPZYKC-LBPRGKRZSA-N 399.541 4.556 0 40 GJAB CC1(C)CN1C(=O)Nc1ccc(Cc2ccc(NC(=O)N3CC3(C)C)cc2)cc1 1684950 JEYJUHCJTZANHN-UHFFFAOYSA-N 392.503 4.530 0 40 GJAB O=C(c1ccco1)N(CC[C@H](c1ccccc1)c1ccco1)C(=O)c1ccco1 2107138 ZKOJDKQBJDQLME-GOSISDBHSA-N 389.407 4.970 0 40 GJAB biogenic O=c1c2ccsc2nc(SCCOc2ccc(F)cc2)n1-c1ccccc1 2640157 ZEKVUAVISJOJLG-UHFFFAOYSA-N 398.484 4.757 0 40 GJAB O=C(/C=C/c1cccc(Br)c1)Nc1ccc(Br)cc1 3159336 INLISBRBMCQGOM-RUDMXATFSA-N 381.067 4.864 0 40 GJAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1cccc(Cl)c1 4986873 UVAXTIYNBAMGML-SNVBAGLBSA-N 377.828 4.648 0 40 GJAB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc4ccccc4c3)nn12 5008258 GFLQYFOONUEBGE-UHFFFAOYSA-N 385.452 4.567 0 40 GJAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3F)nc2c1 5142297 WGZDMJJMVZQBES-UHFFFAOYSA-N 393.443 4.686 0 40 GJAB O=C(Nc1ccc(Cl)cc1)Nc1ncc2c(n1)C[C@H](c1cccs1)CC2=O 5556491 XTBIMNJHRLMFEZ-NSHDSACASA-N 398.875 4.748 0 40 GJAB O=C(C[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc2ccccc2c1 5722318 GCHNDAJZGRASHZ-FQEVSTJZSA-N 386.234 4.559 0 40 GJAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(Oc2ccccc2)cc1 6114727 DBMGKVMWWAGYSU-HNNXBMFYSA-N 390.468 4.641 0 40 GJAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)c1ccc(F)c(F)c1 6559825 JSKQXUPROUVGOX-SNVBAGLBSA-N 377.441 4.923 0 40 GJAB O=c1cc(CSCc2cccc(Cl)c2)nc2ccc(Br)cn12 7094987 VGQFHDJSVMSOOY-UHFFFAOYSA-N 395.709 4.544 0 40 GJAB CC1(C)Cc2cccc(OCC(=O)N[C@@H](c3ccccc3)c3cccs3)c2O1 8192916 PLMKHJUCALNXCE-NRFANRHFSA-N 393.508 4.746 0 40 GJAB C[C@H](c1ccccc1)N(C)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 8213904 KTOZHHPBJDYJGV-QGZVFWFLSA-N 393.556 4.695 0 40 GJAB O=C(Nc1ccc2c(c1)CCC2)c1cn(-c2ccccc2)nc1-c1cccnc1 8395794 IAMVBSJAVXZKLA-UHFFFAOYSA-N 380.451 4.675 0 40 GJAB Cc1cccc(CN2CCC(C(=O)NCCCc3ccc(Cl)cc3)CC2)c1 9062575 XESGKMIKOWGVTD-UHFFFAOYSA-N 384.951 4.609 0 40 GJAB Cc1ccn2cc(C(=O)N3CCc4sccc4[C@H]3c3cccs3)nc2c1 9416808 DSEQWSVHYRHGNW-IBGZPJMESA-N 379.510 4.554 0 40 GJAB CCc1ccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCCC3)n2)cc1 10213529 XSTWWNFGOTXIBL-UHFFFAOYSA-N 390.491 4.530 0 40 GJAB CCOc1ccc(Oc2ccc(NC(=O)CCn3nc(C)cc3C)cc2)cc1 13001799 KWAKACPLSCWHFV-UHFFFAOYSA-N 379.460 4.720 0 40 GJAB c1ccc(-c2nc3c4ccccc4nc(SCCN4CCCCC4)n3n2)cc1 13640142 MTFCVDAUSRPSJK-UHFFFAOYSA-N 389.528 4.523 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14022700 OXNQQTZRDHJWCS-QFIPXVFZSA-N 394.515 4.854 0 40 GJAB CCC[C@@H](NC(=O)CCn1c(-c2cccs2)n[nH]c1=S)c1ccccc1 14249922 DUWMHDBSXDEQFH-OAHLLOKOSA-N 386.546 4.717 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(C)cc2C)cc(Br)c1OC 16031462 QQMSXIFIBAJHIE-UHFFFAOYSA-N 378.266 4.726 0 40 GJAB COc1ccccc1-c1nn(CN(C)Cc2nc3ccccc3s2)c(=S)o1 16848136 MHYWQQQEHQMHHY-UHFFFAOYSA-N 398.513 4.580 0 40 GJAB CC(=O)N1CCc2sccc2[C@@H]1c1ccc(NCc2ccc(F)cc2)cc1 19018119 NCNTWFVQYNAVAS-QFIPXVFZSA-N 380.488 4.993 0 40 GJAB O=c1oc2ccc(Cl)cc2n1[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 19376326 AYIMCDUANAPSQZ-GOSISDBHSA-N 393.874 4.633 0 40 GJAB O=C(COc1ccccc1Cl)Nc1cccc(-c2nc3cnccc3o2)c1 20735890 UIWYIXCBJDLTTR-UHFFFAOYSA-N 379.803 4.561 0 40 GJAB Cc1ccc(C)c(COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 21763201 YPACMBSUPTVRKE-UHFFFAOYSA-N 392.421 4.677 0 40 GJAB O=C(Nc1ccc(F)cc1)c1cccnc1Nc1ccccc1Br 22053923 TUNHZYJZDNPWMH-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB O=C(Nc1nc(CN2CCCCC2)cs1)c1cc2c(s1)CCCCC2 22289603 KYJBDOZKRGIOKV-UHFFFAOYSA-N 375.563 4.712 0 40 GJAB CCOC(=O)c1cc(CC)sc1NC(=O)c1oc2ccccc2c1COC 23686283 JUYQXYPGWOCKIY-UHFFFAOYSA-N 387.457 4.632 0 40 GJAB O=C(Nc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1)c1cccs1 24837075 BTUFOPZUVCZKJY-UHFFFAOYSA-N 388.492 4.930 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1Cc1nc2ccccc2o1 26458114 DJYDSTOUUKQGGK-INIZCTEOSA-N 390.270 4.738 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@@H](c1ccccc1Cl)N1CCCC1 27664529 USMMALJUXLXELA-QHCPKHFHSA-N 392.930 4.989 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)Nc2cc(C)nn2C2CCCC2)o1 28244620 FJDAEUMZGZJVQF-UHFFFAOYSA-N 395.459 4.740 0 40 GJAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1SC[C@H]1CCCO1 28718067 WSZLWRIUCKJUHY-OAHLLOKOSA-N 397.525 4.729 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1noc(-c2ccc(F)cc2)n1 32624278 OYKYIBAVEAXKJY-CYBMUJFWSA-N 383.423 4.579 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1csc(-c3cccs3)n1)O[C@H](C)C2 32756303 FHGOQBUKYBSSSR-LLVKDONJSA-N 386.498 4.846 0 40 GJAB CCCOc1c(Cl)cc(C(=O)NCc2cnc3ccccc3c2)cc1OC 58160925 BAKUSDQCKLEGMU-UHFFFAOYSA-N 384.863 4.616 0 40 GJAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)cc1 67297805 KUHGBSRYZNKODR-BZZOAKBMSA-N 385.423 4.635 0 40 GJAB COc1cc([C@H]2SC(C)=Nc3c2c(C)nn3Cc2ccccc2)ccc1O 72404919 LQXMBFXLJSXSKX-HXUWFJFHSA-N 379.485 4.840 0 40 GJAB CC(C)(C)OC(=O)N1CCCC[C@]2(CCCCCN2C(=O)OC(C)(C)C)C1 96028484 RYDZNAQWNLXHMK-OAQYLSRUSA-N 382.545 4.957 0 40 GJAB Cc1cc(C)cc(C[C@@H]2CC(=O)N(CCC34CC5CC(CC(C5)C3)C4)C2=O)c1 100174036 CMEHWZKCDVGJRA-APNVUFTPSA-N 379.544 4.828 0 40 GJAB Cc1ccccc1CNC(=O)COc1ccc(C(C)(C)C)cc1Br 218879567 LTZAFMMQZYMUJD-UHFFFAOYSA-N 390.321 4.750 0 40 GJAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1OC 224238594 PWZGKLDZJAVIDG-UHFFFAOYSA-N 391.467 4.521 0 40 GJAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COC(C)C 224718221 VEIWSCGVAOIRDQ-UHFFFAOYSA-N 377.868 4.925 0 40 GJAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc(Br)c1 226254763 HBYXBYLDMITOPQ-ZDUSSCGKSA-N 388.309 4.662 0 40 GJAB Nc1nc2c(Br)cc(NC(=O)c3cccc(Cl)c3)cc2s1 226310441 FYMFIHHMHOFTMA-UHFFFAOYSA-N 382.670 4.547 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257318867 VPSHROCCBUETOO-MRXNPFEDSA-N 387.892 4.661 0 40 GJAB Cc1ccc2nsnc2c1NC(=S)NC(=O)/C=C/c1ccc(C(C)C)cc1 408573719 NOJUTPAWCJNNLV-YRNVUSSQSA-N 396.541 4.650 0 40 GJAB CN1C(=O)N/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)C1=O 409194167 NPORQIMJZKHZRQ-XDHOZWIPSA-N 392.842 4.595 0 40 GJAB Cc1cc([C@@H](NCc2nc(C3CC3)nn2C)c2ccccc2Cl)ccc1F 565950404 FICDIJZBPICEBK-HXUWFJFHSA-N 384.886 4.673 0 40 GJAB CC(C)[C@@H](NC(=O)C[C@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 575444038 UYIKSKPFNOAAKX-TZIWHRDSSA-N 392.528 4.919 0 40 GJAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1cccc(Cl)c1Cl 575617003 PJLNTNWALBPYTC-UHFFFAOYSA-N 390.217 4.599 0 40 GJAB CC(C)c1noc(CCC(=O)N2CCCCCCCc3ccccc3OCC2)n1 643584856 VKRUUPSZCOPGIK-UHFFFAOYSA-N 399.535 4.540 0 40 GJAB FC(F)(F)c1ccc(Cn2cc(CN3CCc4sccc4C3)cn2)cc1 1659306257 UNSKKXCCNXSATI-UHFFFAOYSA-N 377.435 4.570 0 40 GJAB CC1=C(C(=O)OC2CCC(C)CC2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 832347 TZOHHRITIHXBON-HKWVAONXSA-N 397.302 4.743 0 40 GJAB CC(C)CN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1ccc(Cl)cc1 850729 FADCHELRHXUPDF-ZDUSSCGKSA-N 387.958 4.658 0 40 GJAB COc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc4c(c3c2)CCCC4)cc1 940636 QCXUDVUWQYQBFR-UHFFFAOYSA-N 391.876 4.774 0 40 GJAB O=C1C[C@H](Nc2ccc3ccccc3c2)C(=O)N1c1cc(Cl)cc(Cl)c1 1472503 VIZWAUFDYCKNNC-SFHVURJKSA-N 385.250 4.891 0 40 GJAB C[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(C)Cc1ccc(C(C)(C)C)cc1 3349048 JRBBXNBIGSYQQS-JPYJTQIMSA-N 378.560 4.998 0 40 GJAB O=C(c1ccccc1)[C@H]1CNc2cc3c(cc2C1)C[C@@H](C(=O)c1ccccc1)CN3 3844915 DGVWJRRWWSIDQW-FGZHOGPDSA-N 396.490 4.621 0 40 GJAB biogenic O=C(OC[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC1(c1ccccc1)c1ccccc1 4027804 KHFKPQUVHDDJDC-NKKJXINNSA-N 389.539 4.800 0 40 GJAB biogenic COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)c1 4039934 HZGKIKCZPCBRSK-NZQKXSOJSA-N 378.472 4.524 0 40 GJAB biogenic O=C(Cc1cccs1)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4088717 MXBXTBCODRDAOG-UHFFFAOYSA-N 375.906 4.515 0 40 GJAB O=C(NCCSc1ncc(-c2ccccc2)[nH]1)c1cccc(C(F)(F)F)c1 4315582 PNSAYYCDLGHFBX-UHFFFAOYSA-N 391.418 4.618 0 40 GJAB O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(F)cc1 4570857 JPOQHWOJOQYYKD-UHFFFAOYSA-N 394.393 4.941 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@H](CC)C2 4576719 KHPWRZPMPFIEDX-ZDUSSCGKSA-N 387.501 4.701 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)OC(=O)C(c1ccccc1)c1ccccc1 5612205 UNHYISUNSMWEAB-GBESFXJTSA-N 379.500 4.540 0 40 GJAB COc1cccc(/C=C/C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 6153835 LFOMUEFUOHJJGP-BJMVGYQFSA-N 375.453 4.723 0 40 GJAB Cc1sc2ncnc(SCC(=O)Nc3ccc(OC(F)F)cc3)c2c1C 6329146 NEGWGTWHTXODSN-UHFFFAOYSA-N 395.456 4.640 0 40 GJAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccccc2Cl)c(C)c1 6629960 DOBNXXCVZVUFEX-UHFFFAOYSA-N 375.925 4.621 0 40 GJAB COc1ccc([C@@H](CNC[C@@H](O)c2ccccc2)c2c[nH]c3ccccc23)cc1 6786514 SSWOZXOGJWKESZ-RCZVLFRGSA-N 386.495 4.632 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 6901487 WJDRAEIDUYQWGI-INIZCTEOSA-N 397.902 4.673 0 40 GJAB CCc1ccc2c(CC(=O)Nc3nnc(Cc4ccccc4)s3)coc2c1 7593792 AEXHZSGBJYKUBZ-UHFFFAOYSA-N 377.469 4.619 0 40 GJAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nnc(C)n2C2CC2)cs1 7617891 MXBRYQYKCGNOHB-UHFFFAOYSA-N 399.545 4.663 0 40 GJAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2sccc2C)n2ncnc2N1 8610022 OVFLTQUYTGGSAQ-MRXNPFEDSA-N 399.907 4.537 0 40 GJAB Cc1cccc(C)c1OCC(=O)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8673482 SGVMMQSYJWWQEM-FQEVSTJZSA-N 387.907 4.543 0 40 GJAB Cc1ccc(C)c(SCc2nn3c(Cc4ccccc4F)nnc3s2)c1 8715041 XGKORNJYVXQWHP-UHFFFAOYSA-N 384.505 4.825 0 40 GJAB Cc1ccccc1-c1noc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1 9484307 MLJJOPAXUZSQIX-LJQANCHMSA-N 391.471 4.543 0 40 GJAB CSc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1 10225467 KTMRISXEONDMAN-UHFFFAOYSA-N 379.529 4.708 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1C 10442114 XCQYFUYILZBLIZ-CYBMUJFWSA-N 377.893 4.944 0 40 GJAB CCN(CC)c1ccc(-c2nnc(SCC(=O)c3cc(C)n(C)c3C)o2)cc1 12532731 LIEMTSUVCXMZKS-UHFFFAOYSA-N 398.532 4.513 0 40 GJAB C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1cccc(Cl)c1 13049344 HYUWSJQXPFBMBN-CQSZACIVSA-N 397.862 4.746 0 40 GJAB OC12C[C@H]3C[C@@H](C1)CC(NCc1ccccc1OCc1ccccc1F)(C3)C2 13728377 XNGHPTIBRYJCNS-ISVJADKWSA-N 381.491 4.578 0 40 GJAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(Oc2ccc(F)cc2)cc1 14673851 STYSAKSRBJQYGO-UHFFFAOYSA-N 392.430 4.707 0 40 GJAB COc1ccc2c(c1)C=C(C(=O)NC(c1ccccc1)c1ccccc1)C=CO2 15838791 JEIFCFRJKGWJMT-UHFFFAOYSA-N 383.447 4.891 0 40 GJAB COP(=O)(OC)c1nc(-c2ccc(C)cc2)oc1NCc1ccc(C)cc1 16750722 RHBPVKVEBDKQDU-UHFFFAOYSA-N 386.388 4.682 0 40 GJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Br)c(C)c2)c1 17077143 PPFCBIVZSZJDQS-UHFFFAOYSA-N 377.307 4.501 0 40 GJAB CC(C)n1ncc2c(C(=O)N[C@H](C)CCc3ccccc3)cc(C3CC3)nc21 17155877 OKQNKCGAWJXKMB-MRXNPFEDSA-N 376.504 4.641 0 40 GJAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2sc(-c3cccs3)nc2C)c1 17341897 FXBRIINGLIXVIR-UHFFFAOYSA-N 399.541 4.508 0 40 GJAB O=C(CSc1nc(-c2ccccc2)cs1)N[C@@H]1CCOc2ccccc21 19317765 UOUUITGYLXRUHH-MRXNPFEDSA-N 382.510 4.542 0 40 GJAB Cc1ncsc1C(=O)NC1CCN(CC2(c3ccccc3)CCCCC2)CC1 19562268 DJMCJEZSPYJUAV-UHFFFAOYSA-N 397.588 4.548 0 40 GJAB COc1ccc(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C 21000511 CCTMCOJKBNAWMI-UHFFFAOYSA-N 380.513 4.562 0 40 GJAB O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1ccccc1Cl 21681396 GNIWFKKEKJOSMG-UHFFFAOYSA-N 383.904 4.607 0 40 GJAB COc1ccc(N2C[C@@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCC3)cc1 22407678 RAVJJADOZNNIMP-AREMUKBSSA-N 399.514 4.622 0 40 GJAB COc1ccc(-c2csc3c(=O)n(Cc4ccc(C)cc4C)cnc23)cc1 23126641 PYMHHOKEIIPLJJ-UHFFFAOYSA-N 376.481 4.799 0 40 GJAB Cc1ccc(Cn2cc(Br)c(NC(=O)C3CCCCC3)n2)cc1 27917219 YQVIUUWTTZHTFN-UHFFFAOYSA-N 376.298 4.521 0 40 GJAB O=C(CNc1ccccc1N1CCCCCC1)Nc1ccccc1OC(F)F 29934438 XWMWDNKBIXCSRV-UHFFFAOYSA-N 389.446 4.719 0 40 GJAB COC(=O)c1ccc(CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)cc1 30210554 WVMKGVVLEANTRT-UHFFFAOYSA-N 375.424 4.538 0 40 GJAB CCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2cccnc12 32622598 NEJYNNFXNIEIJJ-UHFFFAOYSA-N 394.814 4.646 0 40 GJAB Fc1ccc(OCc2noc(-c3ccccc3Cl)n2)c(Br)c1 32754528 XAYHQAYOZZIQFB-UHFFFAOYSA-N 383.604 4.871 0 40 GJAB C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2c[nH]c3ccccc23)CC1 32879775 HMKJWWWCQMRAGT-KRWDZBQOSA-N 393.506 4.534 0 40 GJAB CC(=O)c1ccc(NC(=O)N[C@H](COc2ccccc2F)c2ccccc2)cc1 32937001 LWQHSDHWIHQLSS-OAQYLSRUSA-N 392.430 4.970 0 40 GJAB O=C(CCNc1ccc(C(=O)N2CCCCC2)cc1)c1cc2ccccc2o1 36646388 IOZQRWZCYGQDEC-UHFFFAOYSA-N 376.456 4.744 0 40 GJAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Br)c2)cc1 48365220 NPIIOVKSFAVMDE-LJQANCHMSA-N 388.305 4.754 0 40 GJAB Cc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 54363514 CCCHEEVMGNCKHO-UHFFFAOYSA-N 395.105 4.865 0 40 GJAB Cc1ccc(-c2cc3c4nnc(SCCc5ccccc5)n4ccn3n2)cc1C 67260606 SYSDQVFRYMBJOP-UHFFFAOYSA-N 399.523 4.996 0 40 GJAB CC(C)Oc1c(Cl)cccc1NC(=O)Nc1ccc(C(N)=O)c(Cl)c1 72287965 VJTAFALDQVMZTD-UHFFFAOYSA-N 382.247 4.524 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)NCCCn1ccc2cccnc21 96353388 ICTSDAJLQDFPGA-UHFFFAOYSA-N 383.495 4.765 0 40 GJAB CCCOc1c(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cccc1OC 100765907 VYGCLWRWVIHNAC-OALUTQOASA-N 399.506 4.638 0 40 GJAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)cc4)cs3)C(=O)[C@@H]21 102250582 WQWMXOPYXJXDLU-LTDCPUDJSA-N 378.497 4.600 0 40 GJAB CC(=O)N[C@H](CC(=O)N(c1ccc(C)cn1)C1CCCCC1)c1ccc(C)cc1 108203087 AXTNLXZNAIUZQD-JOCHJYFZSA-N 393.531 4.632 0 40 GJAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1 108252397 ISSLMESDOVRNDF-QGZVFWFLSA-N 392.478 4.638 0 40 GJAB Cc1cccn2cc(-c3ccccc3NC(=O)Cn3ccc4ccccc43)nc12 206901141 LVVVKZFYYUKVJA-UHFFFAOYSA-N 380.451 4.903 0 40 GJAB CC(=O)Nc1ccc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1 206991744 ZAPHVFKWRVVCSS-IBGZPJMESA-N 388.920 4.619 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 223019991 BTJMJYBBXVYYOU-LJQANCHMSA-N 388.895 4.584 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223106562 GGCAZBFGUKFZTH-SFTDATJTSA-N 381.516 4.999 0 40 GJAB CCCCOCc1cc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1OCC 224732086 SLUCYMCAAOIBPU-UHFFFAOYSA-N 384.476 4.613 0 40 GJAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccc(F)cc1 224885219 GBWGXAZSORWMSO-UHFFFAOYSA-N 389.224 4.815 0 40 GJAB CCSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 225020860 KEVVKWCZOKTBRM-CYVLTUHYSA-N 392.480 4.801 0 40 GJAB CC[C@@H]1N=C(COc2ccccc2)c2cccn2-c2cc(OC)c(OC)cc21 225377876 YIOIBMLBCDEGSK-SFHVURJKSA-N 376.456 4.827 0 40 GJAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c(C)n1 225873199 CGWCYSCUPQAXDU-UHFFFAOYSA-N 382.504 4.564 0 40 GJAB Cc1cc(N)cc(Cl)c1NC(=O)C(C)(C)Oc1ccc(Br)cc1 227145600 GUCOZJRKUNLRPT-UHFFFAOYSA-N 397.700 4.789 0 40 GJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@@H]4C4=CC(=O)OC4)[C@H]3CC[C@@H]2C1 256546247 CKFRUFAILBIDGU-CGEOHKGJSA-N 398.543 4.980 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260814729 MYCDEBUDJMHQMK-XXBNENTESA-N 390.568 4.864 0 40 GJAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3Br)nn2)cc1C 408529619 NAULYMHQJIXIMA-UHFFFAOYSA-N 383.245 4.742 0 40 GJAB CCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 408749111 DOGJAPYKCHXRNW-IYVPYFHTSA-N 384.526 4.500 0 40 GJAB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1O 409137026 UPMLDZKAKCNOJS-OQLLNIDSSA-N 381.881 4.671 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)cc1 409150613 CMWLLUNHISQBMX-UHFFFAOYSA-N 397.500 4.811 0 40 GJAB Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCn4c(cnc4C)C3)c(C)c2)c1 564463690 YRQBBYMMTSTTQK-HXUWFJFHSA-N 389.499 4.588 0 40 GJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)OC3CCCCC3)n12 929676 GXTUKIXEBHRIFI-UHFFFAOYSA-N 383.517 4.776 0 40 GJAB CCC(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1 1224383 XJPXAUMPKZMBNE-UHFFFAOYSA-N 379.485 4.640 0 40 GJAB CCOc1ccc2nc(NC(=O)c3ccccc3Br)sc2c1 1510150 QKKDTUSVISWEHP-UHFFFAOYSA-N 377.263 4.710 0 40 GJAB CC1(C)Cc2c(sc3nc(SC/C=C/c4ccccc4)nc(N)c23)CO1 2218234 PRWLXPPRNYBPEN-RMKNXTFCSA-N 383.542 4.930 0 40 GJAB CC1(C)Cc2nc3oc4c(SCc5ccccc5)ncnc4c3cc2CO1 2438078 ZCKBOFTXQBEXRA-UHFFFAOYSA-N 377.469 4.915 0 40 GJAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2cccc(C)c2C)cc1 2723210 HOGFDZMILWVWOT-UHFFFAOYSA-N 381.501 4.619 0 40 GJAB CCOC(=O)C1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cccc(Cl)c1 3073396 SUQYWCZYCPFPKY-SFHVURJKSA-N 379.843 4.751 0 40 GJAB COc1ccc([C@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)cc1OC 3120633 KBIQDQBZGQWGFS-RPWUZVMVSA-N 390.435 4.606 0 40 GJAB COc1cccc(COC(=O)c2oc3ccc(Br)cc3c2C)c1 3285423 NARLKKBZKAXNCR-UHFFFAOYSA-N 375.218 4.869 0 40 GJAB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc2c(c1)OCO2 3423380 ZWJPNTAVJIPSGI-VIFPVBQESA-N 392.889 4.798 0 40 GJAB aggregator COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@H]32)C1 3849688 WEMQGMZMEXLVDS-NWDASVTGSA-N 378.553 4.950 0 40 GJAB COc1ccc([C@H]2CN3C(=O)c4ccccc4[C@@H]3c3[nH]c4ccccc4c32)cc1 4085168 HOTPJNHJORDMLS-HYBUGGRVSA-N 380.447 4.867 0 40 GJAB biogenic O=C(CSc1nc(-c2ccccc2)nc2ccccc12)NCc1ccccc1 4130352 GFVKPDCLVMAORX-UHFFFAOYSA-N 385.492 4.705 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 4703067 ZGHZBAPQHMRSLN-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB Cc1cccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1 4958727 VGCMGIISVPWXEC-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB O=C(CN1CCCCC1)Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1 5451974 HCXNPQKFWFCHOQ-UHFFFAOYSA-N 396.874 4.538 0 40 GJAB Cc1ccc(NC(=O)NCCCCCCNC(=O)Nc2ccc(C)cc2)cc1 5760879 IVMIYZXREPIHAT-UHFFFAOYSA-N 382.508 4.807 0 40 GJAB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1S[C@H]1CCOC1=O 6565484 QNLAEHYXRNJDEK-SFHVURJKSA-N 384.888 4.909 0 40 GJAB Cc1nnc(S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)[nH]1 6588221 BMGNHRONQRSJFV-GDNBJRDFSA-N 389.521 4.632 0 40 GJAB CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccccc1Nc1ccccc1 6831760 OYYCFJWRKBWVGT-HKUYNNGSSA-N 380.488 4.767 0 40 GJAB O=C(CSCc1cc(=O)oc2cc3c(cc12)CCC3)Nc1cccc(Cl)c1 7006888 ZVUYVVFFWRIHDO-UHFFFAOYSA-N 399.899 4.807 0 40 GJAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc2c(c1)OCCO2 7599237 NNQLAMKQBHLSEG-UHFFFAOYSA-N 378.409 4.580 0 40 GJAB O=C1C(=O)N(Cc2ccccc2OCc2ccccc2)c2ccc(Cl)cc21 8059822 PVDAXGDAWRYZNI-UHFFFAOYSA-N 377.827 4.649 0 40 GJAB Cc1cccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCCC2)c1C 8415110 XJHHJENJJXWXEI-UHFFFAOYSA-N 392.499 4.736 0 40 GJAB COc1cc2c(cc1[C@H]1Nc3ccccc3C(=O)N1C1CCCC1)O[C@@H](C)C2 8719576 RLKLHAXHWYTNJE-FPTDNZKUSA-N 378.472 4.528 0 40 GJAB COc1ccc(CN(Cc2cccs2)C(=O)Cc2ccccc2F)cc1OC 9052345 WJYFNJSCPZKEAY-UHFFFAOYSA-N 399.487 4.676 0 40 GJAB COc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2)c1 9281150 UIPLANAYRNWMJH-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB O=C(c1ccc(F)c(F)c1)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 10254560 GELLAIWFJKRNDZ-UHFFFAOYSA-N 378.806 4.871 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)c(C)c1 10447381 SVEKVSBMUCCRBP-UHFFFAOYSA-N 375.852 4.623 0 40 GJAB Cc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1 12227230 PZBANDLJYDJGPX-UHFFFAOYSA-N 375.350 4.635 0 40 GJAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ncoc1-c1cccc(F)c1 12338303 HUAXJQISHFLYKA-UHFFFAOYSA-N 379.435 4.719 0 40 GJAB CC(C)(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F 12617053 HRBPUEUUDZYFHC-UHFFFAOYSA-N 387.458 4.889 0 40 GJAB Cc1nc(SC(F)F)nc(C)c1CCC(=O)Nc1cccc(Cl)c1C 12909413 LLYXCXVOPAVWDM-UHFFFAOYSA-N 385.867 4.941 0 40 GJAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)Cc2ccccc2)cc1 14608025 KBXBSGSIBRSASJ-DEOSSOPVSA-N 397.478 4.974 0 40 GJAB CCOc1ccccc1-c1nc(CC(=O)N[C@H](C)c2ccc(F)cc2)cs1 14776782 CVFYGTRAMCSIPC-CQSZACIVSA-N 384.476 4.768 0 40 GJAB Cc1cc(C)c2oc(C(=O)N(Cc3ccc(C)o3)c3ccccn3)cc(=O)c2c1 15669880 BLRSUMGDCLKLTD-UHFFFAOYSA-N 388.423 4.553 0 40 GJAB CCCCSc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 16039385 KQQHWJMCDRVZCB-HNNXBMFYSA-N 377.510 4.770 0 40 GJAB Cc1ccc(OCC(=O)NCc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 16293580 KARXLUUARFZXFE-UHFFFAOYSA-N 386.451 4.807 0 40 GJAB Cc1nc(NCCc2ccccc2F)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 19717917 NUMJQUGGFOHETH-AWEZNQCLSA-N 381.499 4.504 0 40 GJAB CCCCCN(CCCCC)[C@@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O 20150065 NFUXTIHBFFHFGD-OAQYLSRUSA-N 388.552 4.790 0 40 GJAB O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)NC1CCCCCC1 20397494 CRVRJSXFEAODEH-SFHVURJKSA-N 399.560 4.579 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)c(Cl)c1 20481661 LIYPJINXGJMVFV-GOSISDBHSA-N 389.879 4.930 0 40 GJAB C[C@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccc2c(c1)CCCC2 21934124 BDQDJZKHGMZPOM-HNNXBMFYSA-N 377.513 4.905 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 22522325 HBAWWSAMBZVRIN-LIRRHRJNSA-N 393.936 4.803 0 40 GJAB Nc1c(Cl)cc(NC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1Cl 31023379 PABFUQUTVOBIST-UHFFFAOYSA-N 394.180 4.796 0 40 GJAB COc1ccc(N(Cc2cccs2)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 32678611 RYMWJMUMIRUSLT-UHFFFAOYSA-N 382.485 4.751 0 40 GJAB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1csc(-c2ccsc2)n1 32768681 VEQJUHVMZGHYBT-UHFFFAOYSA-N 379.846 4.611 0 40 GJAB Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)c2c(C)nn(-c3ccccc3)c2n1 36616494 RAECRLGBWCIDIS-JOCHJYFZSA-N 396.494 4.845 0 40 GJAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC[C@@H]2c2ccsc2)c1 40105536 YAKVWOXPZKPNGJ-GOSISDBHSA-N 399.516 4.504 0 40 GJAB COCc1ccccc1C(=O)Nc1ccccc1N1CCc2sccc2C1 40134136 ZVIWSYBYFYFXRB-UHFFFAOYSA-N 378.497 4.710 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)cc1 41086007 NJXZPNSNVOYOTQ-UHFFFAOYSA-N 376.387 4.960 0 40 GJAB CCOC(=O)N1CCC(NC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 43171482 HLCHUCFAZQEZPT-UHFFFAOYSA-N 375.513 4.676 0 40 GJAB CCCc1noc([C@H](C)Nc2ccc(NC(=O)OC(C)(C)C)c(OC)c2)n1 56178553 JUHSIKKKWXHUHP-LBPRGKRZSA-N 376.457 4.551 0 40 GJAB C[C@@H](NCC(=O)Nc1ccc(CN2CCCC2)cc1)c1cccc2ccccc12 57406584 XVXWCHUJWFTGFC-LJQANCHMSA-N 387.527 4.725 0 40 GJAB CCOc1ccc2nc(S[C@@H](C(=O)N(CC)CC)c3ccccc3)[nH]c2c1 57841494 YYSWJWAHSFVANF-LJQANCHMSA-N 383.517 4.663 0 40 GJAB CCCCN(CC)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 58171648 XIXQLFYMFFCJEM-UHFFFAOYSA-N 393.531 4.801 0 40 GJAB O=C(N[C@@H]1CCc2ccccc21)c1cccnc1SCc1ccc(F)cc1 58393050 LOYLOFDVENWMPV-HXUWFJFHSA-N 378.472 4.930 0 40 GJAB O=C(Nc1ccc2nc(C3CC3)sc2c1)N1CCN(c2ccccc2F)CC1 58454646 DFTPAZHLCAHXCE-UHFFFAOYSA-N 396.491 4.667 0 40 GJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1c(C)nn(C(C)C)c1C 65003715 QUWNUKBHMSLKLT-UHFFFAOYSA-N 376.526 4.688 0 40 GJAB COc1cccc([C@@H](C)N(Cc2csc(-c3ccoc3)n2)c2cnn(C)c2)c1 72313464 BUFYTAJIDKQHRO-OAHLLOKOSA-N 394.500 4.913 0 40 GJAB COc1ccc(CN2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 72358397 QCKWRKHNOORXMN-LJQANCHMSA-N 377.463 4.671 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCC(COCc2ccc(F)cc2)CC1 77191503 FZQODDLSOACIMP-UHFFFAOYSA-N 391.870 4.557 0 40 GJAB COc1ccc(CNc2cnn(-c3ccccc3F)c2C)cc1OC(F)F 95455352 HAIKNUGNGTVLNU-UHFFFAOYSA-N 377.366 4.542 0 40 GJAB CC(=O)c1sc(NC(=O)c2cnn(C3CCCC3)c2C)nc1-c1ccccc1 95978258 IVAORCFTFDVKTP-UHFFFAOYSA-N 394.500 4.885 0 40 GJAB CC1(C)[C@H]2CC[C@@]1(C)c1c2c(C(=O)NCc2ccccc2)nn1-c1ccccc1 100715862 WXQYVBSPRKJFIZ-DFBJGRDBSA-N 385.511 4.977 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccsc3-c3nc(C4CC4)no3)oc12 206666401 HMYXEJXHRDQJTR-UHFFFAOYSA-N 381.413 4.683 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2cccc(C)c2)cc1Cl 222744470 OFMKGKXQRXGUKS-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccccc1C(C)(C)C 222803638 GJXAIFFOFVWZJV-UHFFFAOYSA-N 399.516 4.523 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 222974908 ZPTVBZUUBCMCMQ-FGZHOGPDSA-N 390.556 4.953 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)c(C)c1 225381778 YGWQRVNWQCQJPX-JOCHJYFZSA-N 395.524 4.688 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1Cl 225548261 MVJZOMRLDRTJBV-UHFFFAOYSA-N 394.899 4.575 0 40 GJAB COc1cc(N)cc(Br)c1NC(=O)c1cc(Cl)ccc1Cl 227146804 ORVRPDYOXYKBFK-UHFFFAOYSA-N 390.064 4.599 0 40 GJAB CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cccs3)C[C@@H]21 227487097 VDLZYOORAQNKOJ-UWJYYQICSA-N 377.469 4.784 0 40 GJAB Cc1ccc(CCC(=O)N2CCC(Oc3cccc4cccnc34)CC2)cc1F 238814521 BDAWBBDQZXQKGG-UHFFFAOYSA-N 392.474 4.685 0 40 GJAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)CCc3ccccc3)CC2)c1 257256413 KLJXGUJPXVJOCL-UHFFFAOYSA-N 389.499 4.692 0 40 GJAB C[C@@H](NC(=O)c1cccc(Cn2ccnc2)c1)c1c(Cl)ccc(F)c1Cl 512696295 VZIZLSUZQMRHDH-GFCCVEGCSA-N 392.261 4.868 0 40 GJAB Cc1nc(-c2ccccc2NC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)cs1 654058592 BULDKTFGRYHYRH-BLLLJJGKSA-N 399.438 4.740 0 40 GJAB Cc1nc(C)c(CN2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)s1 1206171335 HVXYNDIHUAPHAR-UHFFFAOYSA-N 386.439 4.702 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)Cc2ccc(F)cc2)CN1c1cccc(F)c1 1615152565 AMMDFWIZAMQZOJ-HSZRJFAPSA-N 384.470 4.557 0 40 GJAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1OC 920821 SLIILZLYLOMBQP-UHFFFAOYSA-N 394.393 4.575 0 40 GJAB Cc1cc(C)c2cc3c(N)c(C(=O)Nc4nc(C)c(C)s4)sc3nc2c1 1343009 YYHOHFJZKNDHNC-UHFFFAOYSA-N 382.514 4.974 0 40 GJAB O=C(Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2)c1ccccc1 2147196 IXDJTBGCWNLYEN-UHFFFAOYSA-N 382.529 4.942 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 2201018 DZVWRRNMICXWLV-UHFFFAOYSA-N 376.243 4.748 0 40 GJAB COc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2ccc(F)cc2)n1 2372731 NQQWKPJVDIUQDD-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB Fc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)cc4Cl)nnc32)cc1 2436880 QTHHTYCMWVRUOB-UHFFFAOYSA-N 399.216 4.576 0 40 GJAB O=C1c2cccc(OCc3ccc(F)cc3)c2CCN1Cc1ccccc1F 2716482 UIDNDYQONITRPA-UHFFFAOYSA-N 379.406 4.742 0 40 GJAB CC(C)CC(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 4078262 CJLIGNYAUXXTGM-UHFFFAOYSA-N 386.340 4.578 0 40 GJAB COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 4109849 UWIPSEMXOWJAOB-UHFFFAOYSA-N 378.394 4.957 0 40 GJAB COc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccco2)cc1OC 4848478 TUJMHBNEWGZQDH-UHFFFAOYSA-N 383.835 4.877 0 40 GJAB Clc1ccc(-c2nnn3c2nc(NCc2ccco2)c2ccccc23)cc1 5035236 JAYDKZKZAVUQLO-UHFFFAOYSA-N 375.819 4.803 0 40 GJAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2ccccc2)cc1 5451123 VBYGJSLDLSZXQR-XMMPIXPASA-N 384.479 4.733 0 40 GJAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 5614159 BSBSTUDNZBUSGB-UHFFFAOYSA-N 395.842 4.857 0 40 GJAB N=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 5750168 FDGRXWOJHMUCTG-RBCZPYDQSA-N 377.238 4.644 0 40 GJAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1O 6732345 RLWIRDNDTRAHJH-KKSFZXQISA-N 378.453 4.705 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2)cc1Cl 7653826 OINHPFCQBAWUKC-UHFFFAOYSA-N 383.300 4.612 0 40 GJAB Cc1nc2cc(N[C@H](C)C(=O)NC(c3ccccc3)c3ccccc3)ccc2o1 8189308 DNKVFAMUIOCGKP-MRXNPFEDSA-N 385.467 4.842 0 40 GJAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(Cl)c1 8612014 ZZFFNKHILQPSBI-UHFFFAOYSA-N 382.891 4.932 0 40 GJAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cc2cc(Br)ccc2o1 9134935 DYORVJFSOIEMNP-UHFFFAOYSA-N 384.185 4.554 0 40 GJAB Cc1ccc(SCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 9346911 XOFQLIJMXAOLIW-UHFFFAOYSA-N 375.906 4.898 0 40 GJAB COc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc(Cl)c1OC 12781065 DZCSQGZMNIWLPM-LBPRGKRZSA-N 377.893 4.888 0 40 GJAB O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@H](c2nnc3ccccn23)C1 12793795 BDDBISXOUDNAGC-IBGZPJMESA-N 398.466 4.541 0 40 GJAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc2ccccc12 17080104 OUKRTQBPEJKQSD-UHFFFAOYSA-N 392.414 4.893 0 40 GJAB CCOc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)o2)cc1 20496007 MEGJATJRMWGKPO-UHFFFAOYSA-N 378.215 4.694 0 40 GJAB Brc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1 20765403 XJBZOVRUYITOJL-UHFFFAOYSA-N 387.262 4.668 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)Nc1cccs1 22504833 BTBUYYRWDBMZPQ-UHFFFAOYSA-N 377.469 4.985 0 40 GJAB CCCCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1Cl 22610625 ZRQGHTXHZWZESM-UHFFFAOYSA-N 391.851 4.566 0 40 GJAB COc1ccccc1CCNC(=O)CSC(c1ccccc1)c1ccccc1 23443186 UONITJUIEDIIHF-UHFFFAOYSA-N 391.536 4.877 0 40 GJAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cc(F)ccc1C 25146937 KOOYYKWFNWGKIE-UHFFFAOYSA-N 393.340 4.600 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 27922597 UNWSCPFPIWOTBY-RTBURBONSA-N 379.891 4.944 0 40 GJAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCC[C@H](C)C3)c(O)n2n1 36104708 KBAIUAJMRMHVQW-BLLLJJGKSA-N 390.940 4.534 0 40 GJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1 39743575 UHTMIRRNOKFUIW-UHFFFAOYSA-N 387.321 4.608 0 40 GJAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 40073887 ZWNLLGMYOVFVFC-CRAIPNDOSA-N 377.406 4.922 0 40 GJAB CCc1nn2c(ncc3c(=O)n(CCC(C)C)ccc32)c1-c1ccc(Cl)cc1 40397405 XXLMWRXZZVMBKJ-UHFFFAOYSA-N 394.906 4.973 0 40 GJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1Br 41019239 WKIWYHNYABOJDM-UHFFFAOYSA-N 389.224 4.815 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)c(Cl)c1 44885509 VMGRKRDTQXZOBP-GOSISDBHSA-N 375.852 4.621 0 40 GJAB C[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)S(=O)(=O)c1ccc(F)cc1 58137454 PWOSODLDYNOCBW-CYBMUJFWSA-N 397.427 4.526 0 40 GJAB C[C@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1cccnc1 59324930 NQECPEWBDKEMKM-KGLIPLIRSA-N 387.940 4.792 0 40 GJAB CCC(=O)c1ccc2c(c1)N(C(=O)OCCCN(C)C)c1ccccc1S2 65748504 FHQVEAIDOFNZPL-UHFFFAOYSA-N 384.501 4.970 0 40 GJAB in-vitro O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CCC(Cc2cccnc2)CC1 95458182 KYGCDQXQIOTHRO-UHFFFAOYSA-N 395.837 4.823 0 40 GJAB COCc1nc(N[C@@H](C)[C@H]2CCCOC2)c2c(-c3ccccc3)csc2n1 96002025 CAMDACMALWTKBB-HOCLYGCPSA-N 383.517 4.732 0 40 GJAB Cc1ccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1C 100423331 OUXIEXJJIIGFEV-VXKWHMMOSA-N 379.573 4.785 0 40 GJAB COc1cc(OC)c(C[C@@H]2C(=O)N(c3ccccc3)c3ccccc32)c(OC)c1 101014858 AGHCPQBDKIYNCR-IBGZPJMESA-N 389.451 4.717 0 40 GJAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 110929594 BCXNZGAHYAXYIK-UHFFFAOYSA-N 378.708 4.609 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(Br)cc2F)cc1 222885790 BLWIXASCVMUAKW-KRWDZBQOSA-N 380.257 4.947 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 222949390 RHONZNLJNCFYLU-HUUCEWRRSA-N 396.379 4.678 0 40 GJAB COc1ccc(CC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C 223303142 RJBMSGHYFBLTFP-UHFFFAOYSA-N 393.458 4.581 0 40 GJAB CCOC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1 223601094 RKDIAWVNAYIXQV-UHFFFAOYSA-N 381.856 4.528 0 40 GJAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccccc1F 224885107 RCBIRZDBGBEEHV-UHFFFAOYSA-N 389.224 4.815 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)ccc1OC(C)C 225831876 JOUYKAVMNLNRHX-OPAMFIHVSA-N 391.508 4.574 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2ccc(F)c(C)c2)cc1OC 302766652 INJILOIOSDUZKY-UHFFFAOYSA-N 382.229 4.556 0 40 GJAB CCOc1ccc(NC(=O)Nc2cc(OC)c(Br)c(OC)c2)cc1 539428017 CMHBAHSURFLSOS-UHFFFAOYSA-N 395.253 4.509 0 40 GJAB CC(C)n1c([C@@H]2CCCN(C(=O)Cc3ccc(Cl)cn3)C2)nc2ccccc21 585080926 VAOAHIJBELAWFF-MRXNPFEDSA-N 396.922 4.614 0 40 GJAB CC(=O)N1C[C@H](CCc2nc(C(C)(C)c3cccc(F)c3)no2)c2ccccc21 585084246 QZKQGORQAQTDDW-INIZCTEOSA-N 393.462 4.618 0 40 GJAB CC(C)c1ccc(OCCNC(=O)c2ccccc2OCc2ccncc2)cc1 618055362 IZOSOIHUVWFEEY-UHFFFAOYSA-N 390.483 4.593 0 40 GJAB Cc1nc(-c2ccccc2NC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cs1 654058593 BULDKTFGRYHYRH-LRDDRELGSA-N 399.438 4.740 0 40 GJAB CC(C)(C)SCc1nnc2sc(-c3ccc(Br)cc3)nn12 1501040139 BMKXGMDDBKJCQO-UHFFFAOYSA-N 383.340 4.647 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)c2cccc(F)c2F)CN1c1cccc(F)c1 1615156010 JOSSYXOSWXAZAI-QFIPXVFZSA-N 388.433 4.768 0 40 GJAB Cc1cccc(N2C(=O)C(Cl)=C(Nc3cccc(C(F)(F)F)c3)C2=O)c1C 703397 NXWDFIGJGIVZKC-UHFFFAOYSA-N 394.780 4.758 0 40 GJAB O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1ccc(F)cc1 704075 MVGCYBALYOGUGV-UHFFFAOYSA-N 398.415 4.519 0 40 GJAB COc1cc(NC(=O)COc2cc(Cl)ccc2Cl)c(OC)cc1Cl 941168 GWXZFRNYERTVKI-UHFFFAOYSA-N 390.650 4.682 0 40 GJAB COc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@]21CCOC(C)(C)C1 1318614 FMIWDKMHNWWDFR-AUSIDOKSSA-N 378.472 4.524 0 40 GJAB biogenic O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(F)cc1 1382149 LXWDEBUWJGXSLE-UHFFFAOYSA-N 388.229 4.886 0 40 GJAB COc1cc(C)ccc1OCC(=O)Nc1ccc(OCc2ccccc2)cc1 2633478 YWDZTBGUDWFDDA-UHFFFAOYSA-N 377.440 4.600 0 40 GJAB CCOC(=O)c1sc(NC(=O)/C=C/c2cccc(Br)c2)cc1C 3221700 FFMJXWPLBDTUCQ-BQYQJAHWSA-N 394.290 4.648 0 40 GJAB O=C1CCCC[C@H]1Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 3352203 FRFVWGRIXNSJMA-LJQANCHMSA-N 398.915 4.702 0 40 GJAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)c1ccccc1 4880752 ZXTNJPSTKQTEBT-UHFFFAOYSA-N 382.891 4.794 0 40 GJAB COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccco3)C2)cc1 5024264 JDMIMQPXIOWUTJ-LJQANCHMSA-N 377.469 4.836 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1 5136192 KRDFWZUDWCQSMQ-UHFFFAOYSA-N 390.439 4.524 0 40 GJAB COc1ccc(-c2cc(C(=O)NCc3ccccc3F)c3ccccc3n2)cc1 6260774 WLGQGAJIRSKCNU-UHFFFAOYSA-N 386.426 4.980 0 40 GJAB O=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(Oc2ccccc2)c1 6583755 RWBXCTALYIVYOV-UHFFFAOYSA-N 394.858 4.891 0 40 GJAB CCSC1=NC2(CCN(C(=O)OC(C)(C)C)CC2)N=C1c1ccc(C)cc1 6817202 DNVMLDKJFZIEEM-UHFFFAOYSA-N 387.549 4.677 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1Oc1ccccc1 7758331 JQSMUPYBAVIJIR-UHFFFAOYSA-N 376.412 4.698 0 40 GJAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c1OC 7884022 ZXQWVVRYWJCTDG-HSZRJFAPSA-N 388.467 4.779 0 40 GJAB CCc1ccccc1N1C[C@@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 7928792 CHPRLQKERKVFMS-FQEVSTJZSA-N 385.463 4.875 0 40 GJAB CCCn1c(C)cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1C 8025483 WEBNWYAHJDEYIE-UHFFFAOYSA-N 394.544 4.948 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N(CC)CC 8041789 LMGMCXMVKMONIS-IBGZPJMESA-N 388.895 4.618 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)cc1C 8477569 BPZZSZLFIGVBBB-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccco4)cc3c2C)cc1 9052963 IOEBHMQEDATDJD-UHFFFAOYSA-N 375.380 4.826 0 40 GJAB biogenic COc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)o2)cc1Cl 9190362 QSNGTNAAJQSUQD-UHFFFAOYSA-N 385.803 4.632 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9514712 LTFVCNDJQLHWMV-NRFANRHFSA-N 390.483 4.626 0 40 GJAB Fc1cccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)c1 9622893 ORMFJUSZKSNSJL-UHFFFAOYSA-N 388.450 4.689 0 40 GJAB Cc1ccc(NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)c(Cl)c1 10642078 RSZINJANBGOCCM-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB Cc1onc(C(C)C)c1C(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)cc1 12193162 OEQCIUJNEVWKEV-UHFFFAOYSA-N 380.400 4.880 0 40 GJAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1cc(Cl)ccc1Cl 12539459 SLFBZTITJVLLGY-SNVBAGLBSA-N 380.300 4.999 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc(CN2CCCC2)cs1 12766947 HBOJCIPSQGRKGT-UHFFFAOYSA-N 377.513 4.587 0 40 GJAB Cc1ccc(NC(=O)/C=C/c2ccc(Br)o2)c(Br)c1 12821380 RQZZWIHGKULTEF-QPJJXVBHSA-N 385.055 4.765 0 40 GJAB COc1ccc(C)cc1NC(=O)c1sc(COc2ccc(C)cc2)nc1C 12924726 LCHDCILHHLJRLH-UHFFFAOYSA-N 382.485 4.908 0 40 GJAB CC1CCN(CCCNC(=O)c2ccccc2SCc2ccccc2)CC1 13613215 ABWZBUMGNUQXJB-UHFFFAOYSA-N 382.573 4.831 0 40 GJAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccccc1Br 16101651 HLLRLYZRAJDZQS-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB COC(=O)c1c(NC(=O)c2cc(-c3ccc(C)cc3)on2)sc2c1CCCC2 21149546 XDFRDVPQMADSJA-UHFFFAOYSA-N 396.468 4.629 0 40 GJAB COC(=O)c1cc2cc(NC(=O)c3cc(Cl)ccc3OC)ccc2s1 22250547 JTZBZAGOERJKEZ-UHFFFAOYSA-N 375.833 4.602 0 40 GJAB COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1Br 23764838 TVXRSHOEZBKFEA-JTQLQIEISA-N 384.220 4.569 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccccc2)C1 25512117 PBTMVXLRLACJHC-CTNGQTDRSA-N 396.918 4.556 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CNc1ccccc1N1CCCCCC1 29400029 SFWWQEWLNXFKFJ-UHFFFAOYSA-N 387.911 4.780 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2Cl)c(C)c1 30754511 LESGGSCPHIWZRL-CYBMUJFWSA-N 396.712 4.976 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1cccc(C(F)(F)F)c1 32611681 UUWVDRNIQTYKGR-UHFFFAOYSA-N 388.393 4.830 0 40 GJAB C[C@H](NC(=O)c1ccc(CN2CCCCC2=O)cc1)c1cccc2ccccc12 32698912 JQIMUUURFWRSPU-SFHVURJKSA-N 386.495 4.843 0 40 GJAB FC(F)(F)c1cc(-n2c(S)nnc2-c2ccncc2)cc(C(F)(F)F)c1 32919388 OSPDWTMNHOIXNC-UHFFFAOYSA-N 390.312 4.656 0 40 GJAB COc1cccc(NC(=O)COc2ccccc2-c2nc3ccccc3s2)c1 32958133 JXZKVBZHQGAMBE-UHFFFAOYSA-N 390.464 4.989 0 40 GJAB COc1ccc(NC2(c3nnnn3-c3ccc(C(C)C)cc3)CCCC2)cc1 35622620 JCFZCMJHLOLWAC-UHFFFAOYSA-N 377.492 4.676 0 40 GJAB Cc1c(/C=C2\C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cnn1C 38290824 SGZGWFBJNFOJSO-XNLVUTAESA-N 392.543 4.823 0 40 GJAB CC(C)C(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 40104004 AFQWVXUGXLBQRP-ZDUSSCGKSA-N 375.419 4.784 0 40 GJAB COc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1OC(F)F 40104540 HSPWKMWGWMHFMX-JTQLQIEISA-N 386.345 4.800 0 40 GJAB COc1cc(NC(=O)N[C@@H](C)c2cccc3ccccc23)cc(OC)c1OC 43170462 KIDCUEQDNDJPAT-AWEZNQCLSA-N 380.444 4.748 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1c(C)cc2nc(N)sc2c1C 45889103 HFCQVSWDDXILEP-UHFFFAOYSA-N 377.469 4.909 0 40 GJAB COc1ccc(C(=O)N2C(=S)C(c3cccc(C)c3)=NC23CCCCC3)cc1 45932848 LFTFDENBPXMDQN-UHFFFAOYSA-N 392.524 4.937 0 40 GJAB COc1ccccc1S(=O)(=O)N(c1ccc2[nH]ccc2c1)[C@H](C)CC(C)C 58208751 LFLNVWTWGUQDCT-MRXNPFEDSA-N 386.517 4.806 0 40 GJAB Cn1ccnc1[C@H](NCc1csc(-c2ccsc2)n1)c1cccc(F)c1 67186566 ZNPVIGZJMVDCIP-QGZVFWFLSA-N 384.505 4.623 0 40 GJAB c1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)c(-c3cccs3)n2)nc1 72339764 ZIWICZIANMTSJP-UHFFFAOYSA-N 388.452 4.608 0 40 GJAB CCc1ccc([C@H]2C[C@@H](C)CCN2c2cc(C)nc3nc(C(F)(F)F)nn23)o1 83825430 YYSFDVBAEGICJS-SMDDNHRTSA-N 393.413 4.585 0 40 GJAB CC(C)Cn1ncc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1C1CC1 92148756 JDHBWLQMXUFMIT-UHFFFAOYSA-N 383.826 4.924 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)Nc2cccc(C(F)(F)F)n2)o1 95948085 FHLMMMDNQJJHDU-UHFFFAOYSA-N 392.333 4.533 0 40 GJAB Cc1noc(Cc2ccccc2NC(=O)Nc2ccccc2C(F)(F)F)n1 96097086 LPXQSLWLZVNFEE-UHFFFAOYSA-N 376.338 4.632 0 40 GJAB O=C(NCCc1nc(-c2cccs2)c[nH]1)C1(c2ccc(Cl)cc2)CCCC1 96119245 UYNONQPAQDPQBQ-UHFFFAOYSA-N 399.947 4.962 0 40 GJAB CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2cc(Cl)c(Cl)cn2)c1 97010713 HTJIKPAHSLUZEM-UHFFFAOYSA-N 394.302 4.759 0 40 GJAB CN(C)C1(CN2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)CCCCC1 102752134 IXVFQQXSEXZZKS-UHFFFAOYSA-N 396.560 4.637 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C/Nc3ccccc3)c3ccccc3C2=O)cc1 103005256 OWKHMTCETHLRFL-CJLVFECKSA-N 384.435 4.725 0 40 GJAB C[C@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccco1 139664327 SQABQJLRVRSSQA-CQSZACIVSA-N 377.396 4.508 0 40 GJAB O=c1[nH]c(CSC[C@@H]2CCCO2)nc2scc(-c3ccc(Cl)cc3)c12 170595385 KATPCIPLNZKKMO-ZDUSSCGKSA-N 392.933 4.717 0 40 GJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Br)c1 223435264 WXAJKMDETDGIRD-UHFFFAOYSA-N 392.727 4.625 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)c1 223675813 NCJJQNTVRQZCFD-UHFFFAOYSA-N 381.497 4.726 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 223701739 VGGBCOFOLFYKHA-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB CCOCc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OCC 224695922 JWBSOYZBCDETGH-UHFFFAOYSA-N 396.256 4.776 0 40 GJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCC1=CCCCC1 225400871 FBCOJXHXALCYBK-PGMHBOJBSA-N 394.540 4.834 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 225853928 UNBAXXTZJXPVNA-GOSISDBHSA-N 396.531 4.910 0 40 GJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CCC(=O)OC[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245239438 IWMSSVYTWMLNDF-DORSVBIDSA-N 388.548 4.593 0 40 GJAB Cc1cc(C)nc(N2CCC[C@@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)n1 257297312 RGSTYASQMDEGCB-GOSISDBHSA-N 394.469 4.741 0 40 GJAB CCOc1ccccc1-c1cc(-c2cc(C(=O)O)ccc2OC)nn1CC(C)C 257298895 RNSQIIADADUXGZ-UHFFFAOYSA-N 394.471 4.979 0 40 GJAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(Cl)cc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257301659 RZHXVTKFWQVEPS-KVQDAUAASA-N 397.918 4.657 0 40 GJAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccc(F)cc1 408699328 WHVQZCIOKOUAPA-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB COc1ccccc1CCN1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 1547208878 SCBHINITOKPAEX-UHFFFAOYSA-N 391.496 4.623 0 40 GJAB CC1(C)CCc2ccccc2[C@H](NC(=O)N[C@H]2COc3cc(F)ccc3C2)C1 1565098799 JEKHGLCATNWGAS-UYAOXDASSA-N 382.479 4.532 0 40 GJAB Cc1onc(C(C)C)c1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615156669 KVLBFQQLTKKEOJ-APWZRJJASA-N 399.510 4.765 0 40 GJAB CC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)c1 632949 CBANIFXNIQOVJL-UHFFFAOYSA-N 381.435 4.994 0 40 GJAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NC(c1ccccc1)c1ccccc1 655673 KGUPEEQRJIBNOA-UHFFFAOYSA-N 399.416 4.685 0 40 GJAB Brc1cccc(-c2nnc(-c3ccccc3)c(N3CCCC3)n2)c1 721179 ITDUVZXNYCQXPS-UHFFFAOYSA-N 381.277 4.568 0 40 GJAB O=C(CCC(=O)OCc1ccc(Br)cc1)Nc1ccccc1Cl 992800 XUEUQWFVJKOKKI-UHFFFAOYSA-N 396.668 4.565 0 40 GJAB CCc1ccc2nc(SCC(=O)Nc3cccc(NC(C)=O)c3)c(C)cc2c1 1329386 FNPWRXIXHFPSEM-UHFFFAOYSA-N 393.512 4.795 0 40 GJAB Cc1sc2nc(C(C)C)nc(SCC(=O)NC3CCCCC3)c2c1C 1340357 ZYRGMHGSTFVWDU-UHFFFAOYSA-N 377.579 4.973 0 40 GJAB CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2nc1Cl 1367737 BANSGLRTSCVMSJ-UHFFFAOYSA-N 396.874 4.782 0 40 GJAB Cc1nc2ccc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc2s1 1440538 CRUJMWQRHAGOQS-UHFFFAOYSA-N 394.521 4.673 0 40 GJAB C[C@H](Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)c1ccccc1 2101130 XGECAUJLYBOZFH-HNNXBMFYSA-N 386.403 4.816 0 40 GJAB biogenic COc1ccc(-c2cn(-c3ccc(Br)cc3)c(=S)[nH]2)cc1OC 2689231 BCYUSXNWSHEGCC-UHFFFAOYSA-N 391.290 4.982 0 40 GJAB CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(C(F)(F)F)c1 2720951 CYMHEJOPGKIHCE-UHFFFAOYSA-N 375.375 4.608 0 40 GJAB O=C(O[C@H](/C=C1\CCCC=C1N1CCOCC1)c1ccccc1)c1ccccc1 3226960 FWHGSZPOIDNJLH-UVRKOZNKSA-N 389.495 4.911 0 40 GJAB CCOc1ccc2nc(NC(=O)CCc3nc4ccccc4s3)sc2c1 3320082 QMUVAZMMCUSKHD-UHFFFAOYSA-N 383.498 4.876 0 40 GJAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1coc2ccccc2c1=O 4194668 CPWZMPRRKASAJF-UHFFFAOYSA-N 382.375 4.854 0 40 GJAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 4715783 LTMPRLUDPLXDPX-WMZHIEFXSA-N 390.439 4.848 0 40 GJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc2c(c1)CCCC2 5430196 FSEYYAWYERFLJV-UHFFFAOYSA-N 391.540 4.743 0 40 GJAB CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Cc1cccc2ccccc12 5452198 NGWKEDCNJHROSS-UHFFFAOYSA-N 385.467 4.789 0 40 GJAB CCOc1ccccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N 5657263 SOGZWJIEQUPRBQ-UHFFFAOYSA-N 390.468 4.592 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc(-c2ccccc2)cs1 5738629 VRWQNGUKKWTMIG-UHFFFAOYSA-N 387.917 4.519 0 40 GJAB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(F)c1 6277091 PSMWWOIYOOXKAW-UHFFFAOYSA-N 391.427 4.761 0 40 GJAB COc1ccc(CCNC(=S)N(C)C(c2ccccc2)c2ccccc2)cc1 6544147 RYQMNZUXQKPTHP-UHFFFAOYSA-N 390.552 4.834 0 40 GJAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1cc(F)ccc1F 6612028 UYCXNMBPQLVRHE-UHFFFAOYSA-N 380.346 4.629 0 40 GJAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 6839883 NEMGQTMCEYKHTF-UHFFFAOYSA-N 399.450 4.809 0 40 GJAB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccc(F)cc1 6856618 HAZOFFAHGHEMFH-QFIPXVFZSA-N 377.394 4.893 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1 7763604 PVFAWOFXPFSPOW-CYBMUJFWSA-N 384.530 4.769 0 40 GJAB COc1ccccc1NC1=NN=C(c2ccc(NC(=O)CC(C)C)cc2)CS1 7849602 KEQYKNBUWVQPME-UHFFFAOYSA-N 396.516 4.599 0 40 GJAB Cn1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21 8093793 YGMFUJKEKVQQBY-OAHLLOKOSA-N 375.497 4.808 0 40 GJAB Cc1ccccc1OCCSCC(=O)Nc1ccc(Br)cc1 9882680 VELMWUCVHFROEC-UHFFFAOYSA-N 380.307 4.508 0 40 GJAB CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(C)n1 11565868 HKOJVDBKGMMPCG-UHFFFAOYSA-N 376.522 4.667 0 40 GJAB Cc1cnc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)s1 11987297 TZPYGNLDRNDKDV-UHFFFAOYSA-N 382.272 4.985 0 40 GJAB COc1cccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN23)c1 12196874 BHLDUPXQVPUYBV-XXBNENTESA-N 390.439 4.848 0 40 GJAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)Cc1ccco1 12321491 XVAJSGJZPYFQOO-UHFFFAOYSA-N 381.453 4.534 0 40 GJAB CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCCOCCO 12405114 QUYITUXSUUKIRL-ZDKIGPTLSA-N 386.573 4.547 0 40 GJAB O=C(CCCc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 13694904 XUBWJBZIEMRPKE-UHFFFAOYSA-N 390.508 4.912 0 40 GJAB CCCCCOc1ccc([C@](C)(O)[C@H](CN2CCOCC2)c2ccccc2)cc1 15942319 PATRGQJCCXOKSK-RPBOFIJWSA-N 397.559 4.579 0 40 GJAB Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1 17013110 NONWPXDOTHWSRA-UHFFFAOYSA-N 396.882 4.892 0 40 GJAB CCN(CC)C(=O)[C@H](Sc1nccn1-c1ccc(OC)cc1)c1ccccc1 17838528 GVUGRGANAAAMNH-HXUWFJFHSA-N 395.528 4.583 0 40 GJAB Cc1nc2nc(SCc3ccccc3)nn2c(O)c1Cc1cccc(Cl)c1 18029783 TWTMUXFGWKTIMN-UHFFFAOYSA-N 396.903 4.675 0 40 GJAB COc1ccc2nc(C)c(C(=O)N[C@H](c3ccncc3)c3cccs3)cc2c1 19582582 ZKIZVSFMVFOMRW-OAQYLSRUSA-N 389.480 4.528 0 40 GJAB CCn1ncc(-c2cc(C(=O)Nc3cc(Cl)c4oc(C)cc4c3)on2)c1C 19719063 QECAYWFVBUAQFX-UHFFFAOYSA-N 384.823 4.827 0 40 GJAB CC(C)Oc1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1 20104329 XLEXEPYGNGBBBD-UHFFFAOYSA-N 375.468 4.983 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCCC[C@@H]2CCN2CCCCC2)c1 21170606 CUOZTHFOYJWJCH-OAQYLSRUSA-N 386.580 4.754 0 40 GJAB O=C(NCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 22504856 PKBLHIMCKRUDFX-UHFFFAOYSA-N 385.467 4.601 0 40 GJAB COc1ccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1Cl 27991672 VWHRQIKHGFWQMD-UHFFFAOYSA-N 386.904 4.753 0 40 GJAB FC(F)(F)[C@H]1CCCN(Cn2nc(NC3CCCCC3)sc2=S)C1 28710012 OEIAQLHSMSIKHP-NSHDSACASA-N 380.505 4.650 0 40 GJAB Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCCC3=O)cc2)c2ccccc2)cc1 29882576 NIHIJTWEKFPOMV-VWLOTQADSA-N 398.506 4.637 0 40 GJAB C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccc(-n2ccnc2)cc1 30016244 UMZGPEBPQBHYJP-CQSZACIVSA-N 392.846 4.672 0 40 GJAB CCc1nc(-c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)cs1 30448254 MKZSRLXQPTZLPR-UHFFFAOYSA-N 392.528 4.578 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(Cc1c(F)cccc1Cl)C1CC1 31834700 VKAIRUYZWWYXHI-UHFFFAOYSA-N 384.838 4.643 0 40 GJAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 35041364 PTKDAJJFIOCIMX-QRYYFKOISA-N 385.510 4.684 0 40 GJAB COc1ccc(C2=NN3[C@H](c4ccccc4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352153 KMZABDNLIVBLEJ-QPPBQGQZSA-N 386.451 4.946 0 40 GJAB CC(C)C[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccccc1 44936894 JXBUFGRYWFMKPG-QHCPKHFHSA-N 382.523 4.941 0 40 GJAB Cc1ccc(-c2csc(NC(=O)[C@@H](OC[C@H]3CCCO3)C(C)C)n2)cc1C 58014517 AWHSEVQBKSHSTG-MJGOQNOKSA-N 388.533 4.586 0 40 GJAB COc1cc(CN2CCC[C@@H]2c2ccc(O)cc2)cc(Br)c1OC 58421338 FXYLUCZLGOUACZ-QGZVFWFLSA-N 392.293 4.509 0 40 GJAB CC(C)C[C@@H](NC(=O)c1ccc(I)cc1)c1ccccc1 70136740 PYISYMDKMPSXQB-QGZVFWFLSA-N 393.268 4.808 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C 222884673 WKBUKALJRKVXCW-SFTDATJTSA-N 376.529 4.563 0 40 GJAB CC[C@@H](C)NC(=O)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257198044 RGLSWUIPCVIZSR-MRXNPFEDSA-N 387.470 4.886 0 40 GJAB Cc1cncc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257270547 MUROBUVQWVHVGF-HXUWFJFHSA-N 387.483 4.530 0 40 GJAB CC(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2ccc(C(=O)O)cc2)C1 257320468 VWYKEKZLCSRXIP-SVFBPWRDSA-N 387.863 4.526 0 40 GJAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1 408818814 QRMPQXJGHUNCSQ-YBEGLDIGSA-N 389.860 4.594 0 40 GJAB COc1cc(Cl)c(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC 408901474 FRMOBPDAWXRAOX-CXUHLZMHSA-N 375.833 4.598 0 40 GJAB COc1ccc(Cl)c2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12 1888918145 IKXZXXIUSNPINA-UHFFFAOYSA-N 390.896 4.603 0 40 GJAB COc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccc(C)cc2)cc1 1370605 XFOGBLJIRIVPMT-VXKWHMMOSA-N 393.531 4.711 0 40 GJAB O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2OC[C@H]1c1ccccc1 1392378 CHRUFZISMPINDK-IBGZPJMESA-N 385.872 4.669 0 40 GJAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc2cc(C)c3ccccc3n12 1924430 GWHPRPUYBPIPGJ-OAHLLOKOSA-N 376.485 4.619 0 40 GJAB CCOCCCNc1nc(SC(C)C)nc2sc3c(c12)CC(C)(C)OC3 2417775 GTGWOSHVNSXIFL-UHFFFAOYSA-N 395.594 4.882 0 40 GJAB CCOCCCn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 2973449 JGJHMIONVIDABK-UHFFFAOYSA-N 388.920 4.769 0 40 GJAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc1 3216561 KHEOWWKJHSWZOM-UHFFFAOYSA-N 381.378 4.736 0 40 GJAB O=C(OCc1cc(Cl)ccc1OC(F)F)c1ccc(Br)o1 3236076 ANAJKQKEXQZUBG-UHFFFAOYSA-N 381.556 4.654 0 40 GJAB CCOC(=O)c1c(NC(=S)Nc2ccc(Cl)cn2)sc2c1CCCC2 3251716 XPTGDLHDIVVFJL-UHFFFAOYSA-N 395.937 4.661 0 40 GJAB CN(Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 3353119 PPLUXENNQZTKIO-UHFFFAOYSA-N 392.952 4.905 0 40 GJAB CCCCn1c(=O)c2ccccc2n2c(SCc3ccc(Cl)cc3)nnc12 4509860 XITCLMOGOHSONJ-UHFFFAOYSA-N 398.919 4.790 0 40 GJAB Nc1nc2n(n1)[C@H](c1c(Cl)cccc1Cl)C[C@@H](c1ccccc1Cl)N2 4690548 WPOGOLDKHGQWHK-KBPBESRZSA-N 394.693 4.967 0 40 GJAB Cc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccccc2)cc1F 4937751 YLDSMURDPLVWJT-GYHWCHFESA-N 393.439 4.946 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(C(F)(F)F)cc1 5136131 VHWAQPBECPITSW-UHFFFAOYSA-N 388.389 4.647 0 40 GJAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccccc1C(=O)c1ccccc1 5655180 VAQJGZIZCSBZJG-UHFFFAOYSA-N 383.403 4.930 0 40 GJAB COc1ccc(-c2cc(C)nc(S[C@H]3C(=O)[C@H]4CC[C@]3(C)C4(C)C)n2)cc1 5926592 TYYQZGMUYLJLMG-WVBUVRCRSA-N 382.529 4.947 0 40 GJAB CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2ccoc2C)cs1 8393937 NCWRYKVJLOJBAA-UHFFFAOYSA-N 390.848 4.740 0 40 GJAB O=C(NCc1cccnc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 8394882 ZGDDRZHMTWSLPH-UHFFFAOYSA-N 378.435 4.708 0 40 GJAB biogenic COc1ccccc1-c1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 9289689 BKYHHHGRCHMWPC-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CC(C)[C@H]1C[C@@](CCNCc2ccc3c(c2)OCO3)(Cc2ccccc2)CCO1 9476632 YMQSMSKDVMKHQY-JWQCQUIFSA-N 395.543 4.959 0 40 GJAB Cc1cc2nc(-c3ccc(CNC(=O)COc4ccccc4)cc3)oc2cc1C 10120433 QIVZSLXIUYMHTB-UHFFFAOYSA-N 386.451 4.807 0 40 GJAB Cc1ccc(NC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)cc1Cl 10258804 XRWVZKPWSXUYBN-UHFFFAOYSA-N 375.875 4.527 0 40 GJAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)cc1 12062950 ISRGRFQZJRFWNN-UHFFFAOYSA-N 383.473 4.645 0 40 GJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)Cc2cccnc2)cc1 12553466 SYRMQKDIIDSMSF-UHFFFAOYSA-N 399.494 4.830 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1C[C@H]1CCCO1 12564333 TULYYVJKZGEUEJ-FZKQIMNGSA-N 377.271 4.739 0 40 GJAB C[C@H](NCC(=O)Nc1ccccc1C(=O)c1ccccc1)c1cccc(Cl)c1 13039932 SIDIIUSTTNNMDU-INIZCTEOSA-N 392.886 4.860 0 40 GJAB COCc1ccc(OC)c(CN[C@H](Cc2cccs2)c2nc(C)cs2)c1 19240069 JAEDXTQNSKSLTK-GOSISDBHSA-N 388.558 4.742 0 40 GJAB CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)Cc3cccc(C)c3)cc2)C1 19711629 BBWNAADGFLKNGO-RPBOFIJWSA-N 394.559 4.716 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccc3OCc3ccccn3)c(C)nc12 19714386 QLZRWSCCBGLAGM-UHFFFAOYSA-N 399.450 4.778 0 40 GJAB O=C(NC1CCCC1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20509658 FFMPTPZQYFVZED-GOSISDBHSA-N 396.878 4.721 0 40 GJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCC3)no2)cc1 21805538 HNRGMXGNCOACBP-QFIPXVFZSA-N 389.499 4.525 0 40 GJAB CSc1ncc(Cl)c(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)n1 22991760 UNQYSHAPAIDRNG-UHFFFAOYSA-N 389.952 4.645 0 40 GJAB COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 28579243 AAHGHMMAEODGCP-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)CCC(=O)c3ccc(Cl)s3)o2)cs1 28728842 HNXZPDCGJTWIFB-UHFFFAOYSA-N 394.905 4.706 0 40 GJAB c1ccc(C(OCCSc2nnnn2-c2ccccc2)c2ccccc2)cc1 29990863 FGYFLOCWCKIWMI-UHFFFAOYSA-N 388.496 4.561 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)OC)c1C 30755841 RJDPOLGLMCYHSL-NRFANRHFSA-N 377.440 4.731 0 40 GJAB Cc1ccc(-c2nc(CSCc3cc(=O)n4ccsc4n3)cs2)cc1 32778685 HNLZPBGUEPOWDA-UHFFFAOYSA-N 385.539 4.621 0 40 GJAB CCOC(=O)c1c(C)[nH]c(SCC(=O)Nc2ccccc2)c1-c1ccccc1 35587940 BFGKIVJUJQAFTQ-UHFFFAOYSA-N 394.496 4.898 0 40 GJAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)c1OC 36367022 SQSRFPMMPGTCKC-OAHLLOKOSA-N 383.835 4.667 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 40112872 GXHFHRRKVHVOLS-CQSZACIVSA-N 381.501 4.792 0 40 GJAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1cccc(OCc2ccccn2)c1 49549126 WMBJAGOWRQUUGN-GOSISDBHSA-N 376.460 4.736 0 40 GJAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(Cc1ccc(Cl)cc1)C3 57322420 KBYUUBGBDTVCEI-UHFFFAOYSA-N 381.859 4.677 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cnccc1Oc1ccccc1 58161617 AOEJOFUXYTUPBL-QFIPXVFZSA-N 399.450 4.777 0 40 GJAB Fc1ccc(Oc2ccnc(Nc3ccc(NC4CCOCC4)cc3)n2)cc1 66466231 YCUZKWNEAAROFK-UHFFFAOYSA-N 380.423 4.743 0 40 GJAB COc1ccc(CN2CCC[C@H](c3cccc(-c4ccc(CO)cc4)n3)C2)cc1 72348593 JVRWDWCFDVPKIR-QFIPXVFZSA-N 388.511 4.629 0 40 GJAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353860 CACKOLOLALBKRM-HXUWFJFHSA-N 389.474 4.535 0 40 GJAB O=C(CC1(n2cccc2)CCCCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 96118572 RILQRTBQZNNPJL-UHFFFAOYSA-N 390.531 4.820 0 40 GJAB COC(=O)CN1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccco1 102644396 RCVSPSXAZHZZQT-NRFANRHFSA-N 380.444 4.719 0 40 GJAB CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCCN(C)C1CCCCC1 195563318 XUXJXUHPRFGLAE-UHFFFAOYSA-N 385.474 4.501 0 40 GJAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1C 218844481 KNHNJXOPDSHUNQ-INIZCTEOSA-N 390.321 4.939 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219359298 QZMIHVUHJZEUJU-PMACEKPBSA-N 383.488 4.580 0 40 GJAB Cc1cccc(-c2noc(CN(C)C(=O)CCc3cccc4ccccc34)n2)c1 222679944 DBFVLUMTMLHNKC-UHFFFAOYSA-N 385.467 4.789 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1C 223479380 QIWMVGJQRDDPOJ-ZDUSSCGKSA-N 387.892 4.881 0 40 GJAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COCc1ccccc1 224353670 DVQKHSCSPHYVOQ-UHFFFAOYSA-N 389.451 4.867 0 40 GJAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224390727 WYYIJOOHCBIOOB-VQTJNVASSA-N 380.492 4.780 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1C1CCCC1 225021906 CXGPATVMHPDODX-YADHBBJMSA-N 388.540 4.787 0 40 GJAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1nc2c(s1)CCCC2 225528206 GHSBLYYZTOKNKS-UHFFFAOYSA-N 378.453 4.639 0 40 GJAB Cn1cccc1CN(Cc1ccccc1)C(=O)c1ccc2oc(Cl)nc2c1 225982408 XRKKASITENMHLN-UHFFFAOYSA-N 379.847 4.662 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cccc(C)c2)cc1 408698526 QPJFSYTZJALBPC-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CCN(CC)c1nc(Nc2ccc(C)cc2)nc(=Nc2cc(C)ccc2C)[nH]1 408720585 VZFSOAFCTMGXRK-UHFFFAOYSA-N 376.508 4.552 0 40 GJAB COc1ccc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)(C)C)cc1Cl 585152356 STNBYSSRDPWYPD-KRWDZBQOSA-N 399.878 4.916 0 40 GJAB C[C@H](CNC(=O)c1cc(NCc2ccccc2)nc2ccccc12)c1ccncc1 674266496 LTOGGFSLYOWDGF-GOSISDBHSA-N 396.494 4.775 0 40 GJAB c1ccc(CSCc2nnc3sc(CSc4ccccc4)nn23)cc1 1501040047 ZUELZUIBTLGVHY-UHFFFAOYSA-N 384.555 4.912 0 40 GJAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2ccccc2C(F)(F)F)c1 1889148767 DGYBQBMEDYCVPL-YIONKMFJSA-N 378.398 4.610 0 40 GJAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1-c1ccccc1 873368 QCISLUGFAJNIQG-UHFFFAOYSA-N 375.424 4.582 0 40 GJAB O=C(CSc1ncnc2c(-c3ccc(F)cc3)nsc12)Nc1ccccc1 896138 SAJXFPFQOZGEBC-UHFFFAOYSA-N 396.472 4.623 0 40 GJAB COc1ccc(N(Cc2cccs2)C(=O)c2cc3ccccc3oc2=O)cc1 907984 CCLSHCAOBIMIEI-UHFFFAOYSA-N 391.448 4.710 0 40 GJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1OCC 936372 AWZAMRMEXFBNTH-WUXMJOGZSA-N 390.277 4.898 0 40 GJAB O=S(=O)(Nc1cccc2cccnc12)c1cc(Cl)c(Cl)cc1Cl 1036271 KWBIQRJDSQWSED-UHFFFAOYSA-N 387.675 4.996 0 40 GJAB COc1ccc(N2N=C(C(C)=O)N(C3CCCCC3)[C@@H]2c2cccs2)cc1 2294508 HHCKYZSJVJNFPI-NRFANRHFSA-N 383.517 4.813 0 40 GJAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)NCCC1=CCCCC1 2628452 CISDWYZGPWRWSF-CQSZACIVSA-N 388.562 4.769 0 40 GJAB CC[C@@H](C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1 3322704 VYWHPUSBNMGBEH-MRXNPFEDSA-N 379.428 4.677 0 40 GJAB COc1ccc(-c2nnc(SCc3cc(=O)oc4cc(C)c(C)cc34)o2)cc1 4475253 YIHZCXWOZVGQOP-UHFFFAOYSA-N 394.452 4.761 0 40 GJAB COc1cccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)c1 4715792 BHLDUPXQVPUYBV-WMZHIEFXSA-N 390.439 4.848 0 40 GJAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4)cc3n2)cc1 4739337 GICJOMSLBBBAOH-UHFFFAOYSA-N 399.498 4.827 0 40 GJAB CC(C)NCCn1c(-c2ccc(Br)cc2)cn2c3ccccc3nc12 4859445 XXHTWQMKBMZMAQ-UHFFFAOYSA-N 397.320 4.717 0 40 GJAB biogenic Cc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccc(F)cc1 4937093 GKEOSAYANYLVJW-UHFFFAOYSA-N 389.401 4.867 0 40 GJAB CC(C)[C@H]1Cc2c(sc3nc(SCc4ccccc4F)nc(N)c23)CO1 5269717 LUAWWWNYMGKSPT-CQSZACIVSA-N 389.521 4.802 0 40 GJAB Cc1ccc(NC(=O)c2cccc(Br)c2)cc1N1CCCCC1=O 5441788 LUVYEMBENSACHG-UHFFFAOYSA-N 387.277 4.527 0 40 GJAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 6374667 XTFLPYMYSDJHRH-NSHDSACASA-N 392.839 4.977 0 40 GJAB CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC 7071467 STWVXEKTQOLDJD-SSAUFJHOSA-N 390.549 4.962 0 40 GJAB O=C1c2ccccc2N[C@@H](c2cccc(Br)c2)N1Cc1ccco1 7112533 JZKXAOLIHKNHFP-GOSISDBHSA-N 383.245 4.809 0 40 GJAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(-c2ccccc2)cc1 7765974 YEBMDDFJHDDMCH-UHFFFAOYSA-N 378.859 4.766 0 40 GJAB Cc1ccc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)c(C)c1 8012989 VCIRWHZYVDBRNV-UHFFFAOYSA-N 384.483 4.904 0 40 GJAB CCc1ccccc1NC(=O)CCc1csc(NC(=O)c2ccccc2)n1 11835367 OLEKGACAYRRZLD-UHFFFAOYSA-N 379.485 4.529 0 40 GJAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2Cl)cc1 12887702 VJNDGZDGUCXTSN-OAHLLOKOSA-N 386.300 4.528 0 40 GJAB COc1ccccc1/C=C(\C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 12952940 UFCMBYZGEMUNDZ-GFMRDNFCSA-N 398.506 4.585 0 40 GJAB CCN(CC)CCOc1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1 12980177 QDZUEWLNSDPESH-UHFFFAOYSA-N 395.330 4.895 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)Cc3cccs3)cc12 12983226 KSPLZLUYQFUPHQ-UHFFFAOYSA-N 399.516 4.927 0 40 GJAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3nc4c(s3)CCCC4)c(C)c12 13012218 OQSVLCDVOHXFGH-UHFFFAOYSA-N 384.530 4.773 0 40 GJAB COc1ccc(/C=C2\CCC[C@H]3C2=NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1 13122039 GOZPBMCCEGQPIM-BPENLDBLSA-N 392.524 4.958 0 40 GJAB O=C(O)c1ccc(NCc2nc3ccccc3n2Cc2ccccc2F)cc1 13135652 YEQHQOSTAQNENE-UHFFFAOYSA-N 375.403 4.534 0 40 GJAB COc1cccc(CN2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)c1OC 19567895 BKMNOVUTMMDIQP-MRXNPFEDSA-N 385.489 4.543 0 40 GJAB COc1cccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 20039754 UDKMUIABDICYAT-WZONZLPQSA-N 375.468 4.677 0 40 GJAB CCOc1cc(NC(=O)C2CCCC2)c(OCC)cc1NC(=O)c1ccccc1 20886009 JODBMMLVNJVSCL-UHFFFAOYSA-N 396.487 4.865 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)Cc3ccccc3)n2)cc1 22462096 SZELEHADOYGRSX-UHFFFAOYSA-N 385.423 4.593 0 40 GJAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nncn2-c2ccccc2)c(Cl)c1 22942695 VWCFWTFIHCGISG-CQSZACIVSA-N 386.908 4.657 0 40 GJAB O=S(=O)(Nc1cccc(-c2ccc(C(F)(F)F)cn2)c1)c1ccccc1 22996418 MXUCAQNTKPQVPG-UHFFFAOYSA-N 378.375 4.568 0 40 GJAB Cc1cc(C)c2nc(N(CCn3cccn3)C(=O)c3cccc(F)c3)sc2c1 23144818 HOHYDULSEBAKSH-UHFFFAOYSA-N 394.475 4.596 0 40 GJAB O=C(c1c[nH]c2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 24001948 WYOMSLYSUVAWAV-UHFFFAOYSA-N 395.506 4.715 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Br)cc1F 28235598 SRNMMBYMDOSWAM-UHFFFAOYSA-N 388.240 4.643 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC(C)C 30859378 YYFYUIFTFIKVKA-NRFANRHFSA-N 390.483 4.774 0 40 GJAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccccc1N1CCCCCC1 31097509 PKVUNHDEVHNTOM-UHFFFAOYSA-N 390.487 4.688 0 40 GJAB CC(C)c1c(C(=O)Nc2nnc(C3CC3)s2)cnn1-c1cccc(Cl)c1 31891779 UZNHKCGJPMJLKG-UHFFFAOYSA-N 387.896 4.630 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 32808959 WMBHZDWEXRFXHJ-HNNXBMFYSA-N 394.471 4.760 0 40 GJAB O=C(CCc1ccc2c(c1)OCO2)N1CCc2sccc2[C@H]1c1ccccc1 32848007 WOWXOGWLCKTTEF-HSZRJFAPSA-N 391.492 4.584 0 40 GJAB COc1ccccc1-n1ncc2c(C(C)C)nnc(SCc3cccnc3)c21 35596848 YTYLIGNYAQNDLF-UHFFFAOYSA-N 391.500 4.635 0 40 GJAB CCN(Cc1ccccc1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 36226682 NJGWMQVLEIRNBM-QHCPKHFHSA-N 386.495 4.597 0 40 GJAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3)c12 36613276 URHFJKNPFLTXMZ-UHFFFAOYSA-N 382.467 4.918 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)NCCCCN1C[C@@H](C)C[C@H](C)C1 40108514 MKTAJQIFVZPQMQ-GJZGRUSLSA-N 391.606 4.668 0 40 GJAB Cc1csc(SCc2ccccc2C(=O)N2CCc3ccc(O)cc3C2)n1 52866431 DNTPMYOCUNBWCM-UHFFFAOYSA-N 396.537 4.648 0 40 GJAB O=C(NC1CCN(CC2CCCC2)CC1)c1c[nH]cc1-c1ccc(Cl)s1 58432147 CGDDJWNTRMCRKS-UHFFFAOYSA-N 391.968 4.781 0 40 GJAB Clc1ccc(-c2n[nH]cc2CNCCc2ccc(Br)s2)cc1 63560112 ZSIXKGYYAHGFBQ-UHFFFAOYSA-N 396.741 4.886 0 40 GJAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1nc(-c2cccs2)cs1 71284353 MQZSWWQAODGVFG-UHFFFAOYSA-N 384.511 4.951 0 40 GJAB CCN(CCCNC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)OC(C)(C)C 71837567 SVYOKHGJRURLDG-UHFFFAOYSA-N 393.286 4.509 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359712 KXDUEXQZVKQJQT-HNNXBMFYSA-N 398.919 4.582 0 40 GJAB CCn1cc(CN2CCC[C@@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)cn1 72372462 HOWZKFOSCNPMHE-XMMPIXPASA-N 390.531 4.543 0 40 GJAB COCCn1ccc2c(NC(=O)CCc3ncc(-c4ccccc4)o3)cccc21 79488495 GTOWDWWTHDGBCO-UHFFFAOYSA-N 389.455 4.514 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)Cc1ccsc1 84019819 AFKLECIJJVZEMN-JTQLQIEISA-N 378.856 4.865 0 40 GJAB CC(=O)N1CCCc2cc(NC(=O)/C=C/c3c(Cl)cccc3Cl)ccc21 95393443 XKMYJJSBYPILKZ-CSKARUKUSA-N 389.282 4.944 0 40 GJAB Cc1nc2cc(-c3ccc(Br)cc3)nn2c(O)c1Cc1ccccc1 100522455 KTSOGWMJTXZAFQ-UHFFFAOYSA-N 394.272 4.764 0 40 GJAB COc1ccc(NC(=O)[C@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 100752459 ZCIYDIOIEKRGJT-ZEQRLZLVSA-N 387.483 4.606 0 40 GJAB O=c1[nH]c2c(s1)[C@@H](c1ccc(Br)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100864329 SQFALPKIUAOVMZ-TZNMXHEESA-N 394.359 4.851 0 40 GJAB CN(Cc1ccccc1)C(=O)[C@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C 100920193 DUXNUQYCIUXCFM-DQEYMECFSA-N 385.511 4.618 0 40 GJAB COc1ccccc1CN1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 102718611 ULKCVKIWUZMFMF-UHFFFAOYSA-N 377.469 4.581 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\Nc3cc(O)ccc3C)c3ccccc3C2=O)c(C)c1 105015447 VIHDOPCULFVPJH-STZFKDTASA-N 398.462 4.957 0 40 GJAB O=C(Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1)[C@H]1CCOC1 206892537 FBYIIQUIFOJEJK-AWEZNQCLSA-N 383.448 4.668 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 223748780 QMXDRLHHTHFBID-SFTDATJTSA-N 392.528 4.650 0 40 GJAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COCC(C)C 224448539 OGNWAVYXHRIDJV-UHFFFAOYSA-N 392.293 4.883 0 40 GJAB Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)n2)c1 225187146 YCOSBXFNXIQGIA-KRWDZBQOSA-N 393.487 4.561 0 40 GJAB COc1ccc(-c2nnc(NC(=O)CCc3ccc(C(C)C)cc3)s2)cc1 225662278 UQSBDOOFHGGMEL-UHFFFAOYSA-N 381.501 4.908 0 40 GJAB CCCO[C@@]1(C(=O)Nc2ccc(OCC)c(C(=O)OCC)c2)CCC[C@@H](C)C1 225853880 LXHMXDUWQVWUQO-ZHRRBRCNSA-N 391.508 4.576 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)n1 257313135 UREAATKBHOQDEN-KRWDZBQOSA-N 395.890 4.642 0 40 GJAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)c1 409239061 GBKRJCZXIBSHRC-HZHRSRAPSA-N 398.462 4.667 0 40 GJAB Cc1cnccc1N1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)CC1 558712253 FVCOJOTXNKXLSC-NUNAXRQHSA-N 389.543 4.544 0 40 GJAB O=C(Cc1cc2ccccc2c(O)n1)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 574614955 CYUSYXZEMQJEBP-VQIMIIECSA-N 394.902 4.979 0 40 GJAB O=Cc1cn(CCOc2ccc(Cl)cc2)c2ccc(Br)cc12 638270 LIDHRXSMOWVZRD-UHFFFAOYSA-N 378.653 4.949 0 40 GJAB CC1CCN(c2cc(-n3nc(C(F)(F)F)cc3-c3ccccc3)ncn2)CC1 755293 YUPJGTJPKASPCQ-UHFFFAOYSA-N 387.409 4.584 0 40 GJAB COc1ccc([C@H]2S[C@@H](C)C(=O)N2c2ccc(Br)cc2)cc1 1064674 MJMCDPUKLXEZQQ-APPDUMDISA-N 378.291 4.625 0 40 GJAB CC(C)(C)C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1105211 YYLAHKJXAAIDRP-UHFFFAOYSA-N 387.471 4.555 0 40 GJAB Cc1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 2252663 COJLCNBLOZOZMV-UHFFFAOYSA-N 388.471 4.667 0 40 GJAB O=C1[C@H]2CS[C@H](c3ccccc3F)N2C(=O)N1c1cccc2ccccc12 2314650 RFNCHPMIEVCHSK-UYAOXDASSA-N 378.428 4.562 0 40 GJAB O=C(CSc1ncnc2ccccc12)Nc1ccc(SC(F)F)cc1 3244023 JDPDTUBTCJRTRK-UHFFFAOYSA-N 377.441 4.675 0 40 GJAB CCN(c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1)C(C)C 3280780 UMNCMQZSTDIXGX-UHFFFAOYSA-N 380.517 4.595 0 40 GJAB O=C(CNc1ncnc2sc(-c3ccccc3)cc12)Nc1ccc(F)c(F)c1 3377898 ZDEFEQLSYCIWED-UHFFFAOYSA-N 396.422 4.687 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3c(F)cccc3F)s2)cc1 3525214 LIMFRPBZAZWBTA-UHFFFAOYSA-N 392.456 4.599 0 40 GJAB COc1ccc(-n2c(S[C@H](C)c3ccccc3)nc3c(c2=O)SCC3)cc1 4106535 MADCAMMPHUJFFH-CQSZACIVSA-N 396.537 4.743 0 40 GJAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1cccc2ccccc12 4326752 HIXLDMYAZPXFOG-ZDUSSCGKSA-N 376.437 4.634 0 40 GJAB COc1ccc(Cc2nc3ccccc3n2Cc2ccccc2F)cc1OC 4385580 QIMMSYPGSLWTKC-UHFFFAOYSA-N 376.431 4.832 0 40 GJAB COc1ccc([C@]23C[C@H](C)Sc4ccccc4N2C(=O)C3(Cl)Cl)cc1 4658981 TWXWCGFGTNPMSD-SGTLLEGYSA-N 394.323 4.996 0 40 GJAB COc1ccc([C@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4857437 IYTXMKHNQQHTTJ-LADGPHEKSA-N 386.451 4.946 0 40 GJAB Cc1ccccc1-c1nnc(SCc2cc(=O)oc3cc4c(cc23)CCC4)o1 4927266 FXLHVYRJXFBLDK-UHFFFAOYSA-N 390.464 4.932 0 40 GJAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 5219712 IKGIRRQVEFTFIC-UHFFFAOYSA-N 397.500 4.774 0 40 GJAB Cc1ccc(SCC(=O)N(CCN(C)C)c2nc3ccc(C)cc3s2)cc1 5239557 XIVDSQGGAWPJIN-UHFFFAOYSA-N 399.585 4.600 0 40 GJAB CCOc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 5584381 VRBVEAJJCCVTNV-UHFFFAOYSA-N 375.515 4.581 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1C 5755929 ZELDPUZIOBFTGT-UHFFFAOYSA-N 381.472 4.810 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1Br 5925278 RAZLPAGWKDJTCS-UHFFFAOYSA-N 399.082 4.538 0 40 GJAB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2cccc(C)c2C)cc1 6207558 XIRHFHHGSNXMND-UHFFFAOYSA-N 393.483 4.877 0 40 GJAB Cc1nc(NC[C@@H](c2ccccc2Cl)N(C)C)c2c3c(sc2n1)CCC3 6881420 MBIKCHBKZPOIEK-INIZCTEOSA-N 386.952 4.857 0 40 GJAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1nc2ccccc2s1 7313380 MWHLJPAOJVSMOJ-UHFFFAOYSA-N 375.478 4.783 0 40 GJAB O=C(Nc1nc2ccccc2s1)c1cn(-c2ccccc2)nc1-c1cccnc1 7768009 VQTGLXSMRITAGT-UHFFFAOYSA-N 397.463 4.796 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 8291560 GDXPEVVGUZDXPB-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(CCc1nc(-c2cccs2)no1)NC(c1ccccc1)c1ccccc1 8312789 XRPHELSMQNLHHA-UHFFFAOYSA-N 389.480 4.637 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(O)=Nc2nc3ccccc3n21 9089273 OHORXDLGMMDCBJ-CQSZACIVSA-N 375.215 4.515 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1)c1cccc(Cl)c1 11999069 PZSTXDPVKLROPP-UHFFFAOYSA-N 391.858 4.580 0 40 GJAB COc1ccc(OCc2cc(C(=O)N[C@H]3CCCc4ccccc43)c(C)o2)cc1 12766358 VYCXFDGKQMPQFA-QHCPKHFHSA-N 391.467 4.983 0 40 GJAB O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)c2cccc3ccccc23)CC1 12821213 FELVJZAHYAJYPT-UHFFFAOYSA-N 394.421 4.609 0 40 GJAB COc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1Cl 12874979 QGSYPIGKKOKREY-UHFFFAOYSA-N 379.641 4.845 0 40 GJAB COc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC 12986180 ZMOVFPICZZPXSI-LLVKDONJSA-N 398.286 4.852 0 40 GJAB COc1ccc(-c2nc(CC(=O)N[C@H](C)CCCC(C)C)cs2)cc1OC 13726727 KCCFMFIIPDWEMC-OAHLLOKOSA-N 390.549 4.701 0 40 GJAB O=C(CN(Cc1ccco1)C(=O)Cc1cccc2ccccc12)Nc1ccccc1 14181538 NYVHNPUTGBXKPG-UHFFFAOYSA-N 398.462 4.643 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)Nc2ccccc2)c1 14849668 LWWZCZWTLWAVOW-UHFFFAOYSA-N 395.484 4.748 0 40 GJAB COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cccc(O)c2)cc1OC 15106509 JTSHXFVOZOYGMM-HNNXBMFYSA-N 381.453 4.612 0 40 GJAB CCCCOc1ccc(NC(=O)COc2ccc(CC)cc2)c2cccnc12 15841151 YCXGNCMWDZTVRO-UHFFFAOYSA-N 378.472 4.994 0 40 GJAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cc(Cl)ccc1Cl 17079874 DLAGOJKLQVOMFU-UHFFFAOYSA-N 391.279 4.979 0 40 GJAB COc1ccccc1NC(=O)c1cc([C@H]2CCCN(CC3CCCCC3)C2)no1 19571277 VLASQPDQRHOOQQ-SFHVURJKSA-N 397.519 4.695 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1 20029975 TWTOHQAIQUDVOX-UHFFFAOYSA-N 397.777 4.697 0 40 GJAB FC(F)(F)c1cccc(CN2CCN(c3nc4ccccc4s3)CC2)c1 20405008 CJSMZXLYVVXJTJ-UHFFFAOYSA-N 377.435 4.637 0 40 GJAB Cc1nc(NC(=O)c2ccc3ccccc3n2)sc1-c1nccn1C(F)F 22472562 SEESJPVVDWVHEH-UHFFFAOYSA-N 385.399 4.511 0 40 GJAB O=C(Cc1ccc(F)cc1)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 28574370 OKHASPGDOFHPOB-UHFFFAOYSA-N 378.234 4.559 0 40 GJAB O=C(Nc1ccccc1Cl)Nc1nc2ccccc2n1CCN1CCCCC1 32502517 RXQBIHJZVREITK-UHFFFAOYSA-N 397.910 4.820 0 40 GJAB CSCc1nnc(SCC(=O)N(Cc2ccccc2)c2cccc(C)c2)o1 32860383 HRTQEPFFEKGVGT-UHFFFAOYSA-N 399.541 4.567 0 40 GJAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1ccc(F)cc1 40013345 FYVRSWVTZPHUBC-UHFFFAOYSA-N 397.277 4.552 0 40 GJAB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 40113096 WITNEHMGIAAUBL-GFCCVEGCSA-N 389.883 4.688 0 40 GJAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(C)cc1 41078080 HXHDGIUHUXFCGM-UHFFFAOYSA-N 377.488 4.897 0 40 GJAB CCOc1ccc(N[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1CO 56205888 KLTOETSLQLRZQQ-QHCPKHFHSA-N 390.483 4.678 0 40 GJAB COc1cc(CN(C)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)ccc1O 56719159 MUABVBOEIDLRKO-UHFFFAOYSA-N 396.418 4.996 0 40 GJAB C[C@H](Cc1c(F)cccc1F)NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 59853985 KYYHNQVFRWFCLH-GFCCVEGCSA-N 386.364 4.756 0 40 GJAB O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(Oc2ccccc2)CC1 65768911 OWUTVBCRAAFADW-RBUKOAKNSA-N 389.417 4.879 0 40 GJAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCC[C@@H]1C1CCCCC1 70012839 LRBNESMACDHSPE-OAHLLOKOSA-N 390.833 4.861 0 40 GJAB CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72214475 WMDDDBNJVCQRPP-LJQANCHMSA-N 395.503 4.820 0 40 GJAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](c1ccsc1)SCC(O)=N2 79486360 BIRXJYTWOKVHNE-MRXNPFEDSA-N 377.535 4.948 0 40 GJAB CN(Cc1ccccc1NC(=O)N1CCC[C@H](N2CCCC2)C1)C1CCCCC1 83865565 DHTSJYXUHKDQFN-QFIPXVFZSA-N 398.595 4.543 0 40 GJAB C[S@](=O)c1ccc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)cc1 83990346 FYDRECHYVWPATJ-PBWBSBDWSA-N 387.810 4.662 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118933605 CVNYHSDFZXHMMJ-DQQHOIFISA-N 390.564 4.686 0 40 GJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 218966693 WHYTYBBBVJCFMF-UHFFFAOYSA-N 394.515 4.646 0 40 GJAB Cc1nc(-n2cccc2)sc1C(=O)N1CCS[C@H](c2ccccc2)CC1 218970476 VQOMZVUAVOKMOI-KRWDZBQOSA-N 383.542 4.563 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 224661218 ONQACCVAEWBZTN-QGZVFWFLSA-N 395.499 4.928 0 40 GJAB CCCCOCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)ccc1OCC 224728508 WADAYWPRSOFDPK-UHFFFAOYSA-N 387.476 4.672 0 40 GJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225847872 IZIHMIADTOOPBH-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB O=C(NC(=S)NCc1ccco1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408627190 LCVAEKZTYCERHF-UHFFFAOYSA-N 395.267 4.651 0 40 GJAB COc1ccc(-c2nnc(SC(=O)c3cccc4ccccc34)o2)c(OC)c1 408653923 FRJGLUVQAZDXEN-UHFFFAOYSA-N 392.436 4.840 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(C)c1 408678308 FISZHKKLBFASGV-LJQANCHMSA-N 377.937 4.855 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2ccc(C)cc2)cc1 408696291 ZIQJNUFMUARTST-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB Cc1ccc(OCCCn2cc(/C=C3\SC(=O)NC3=O)c3ccccc32)cc1 409134365 NZWREBLDEDPMGG-MOSHPQCFSA-N 392.480 4.743 0 40 GJAB Cc1ccc(CN(C)Cc2csc(Br)c2)c(-c2cnn(C)c2)c1 549802195 VZAVUNCCQFMYOC-UHFFFAOYSA-N 390.350 4.852 0 40 GJAB COc1ccc(C)cc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615155912 JBKOZCOTVIKRMJ-UTKZUKDTSA-N 396.506 4.662 0 40 GJAB C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(Cn4ccccc4=O)o3)c21 1615550028 UPJUHORSPPUIIR-OAHLLOKOSA-N 376.456 4.527 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CC[C@](C)(c4cccc(F)c4)C3)n[nH]2)cc1C 1640879048 MKTIBZCHFVNYGN-QHCPKHFHSA-N 377.463 4.636 0 40 GJAB Cc1ccc(-c2csc3ncnc(SCC(=O)N4CCCCC4)c23)cc1 1935807 GGKJEAKTWIRPMA-UHFFFAOYSA-N 383.542 4.771 0 40 GJAB CCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc2c1CC[C@@H](C)C2 2708081 VCIOEESTIXGQQN-GFCCVEGCSA-N 375.490 4.522 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 3370820 PAEHOOCXSAYCAD-UHFFFAOYSA-N 383.860 4.977 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2 4088685 UOHQKXBNPDMNKV-UHFFFAOYSA-N 399.903 4.842 0 40 GJAB Cc1cc(C(=O)N2N=C(CCC(C)C)C[C@@]2(O)C(F)(F)F)ccc1Cl 4200067 NTABZWCMEJDVNS-MRXNPFEDSA-N 376.806 4.537 0 40 GJAB Clc1ccc2nc(-c3ccccc3)c(NCc3ccc4c(c3)OCO4)n2c1 4848474 GYFZSBLYJGZJCW-UHFFFAOYSA-N 377.831 4.996 0 40 GJAB O=c1c(Cl)c(N2CCc3ccccc32)cnn1C12CC3CC(CC(C3)C1)C2 4909692 MXIPYLDKEJSDQS-UHFFFAOYSA-N 381.907 4.516 0 40 GJAB CC[C@H](C)Cn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 5235773 NFNCDLOEEOWIKQ-DLBZAZTESA-N 377.488 4.612 0 40 GJAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NC(c1ccccc1)c1ccccc1 5628391 SSCYERBFSJCQSN-INIZCTEOSA-N 387.508 4.949 0 40 GJAB CCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 5671746 LPCIGYMFGTYIPH-DHDCSXOGSA-N 391.832 4.745 0 40 GJAB C[C@H]1CCN(C(=O)CSc2ncnc3sccc23)c2ccccc2S1 6115345 QKDQSQNQZASKAH-LBPRGKRZSA-N 387.555 4.701 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1 6433942 LHSQLCHNQKOVRB-QFIPXVFZSA-N 376.456 4.678 0 40 GJAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)o1 6589662 ZNVPHNZAUNXYSV-UHFFFAOYSA-N 391.452 4.606 0 40 GJAB CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 6629483 BLTASXRQWLPXMT-UHFFFAOYSA-N 394.544 4.675 0 40 GJAB CCOC(=O)c1sc(NC(=O)Cc2coc3ccc4ccccc4c23)nc1C 6948941 ZYZNBVFHYIWRAD-UHFFFAOYSA-N 394.452 4.709 0 40 GJAB CC(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccs1 8013294 NDTVGXGRBRLBLE-QFBILLFUSA-N 385.533 4.506 0 40 GJAB CCn1c(SCC(=O)c2cc(C)n([C@@H](C)COC)c2C)nc2ccccc21 8134369 AOBXJCWSIDGJHS-HNNXBMFYSA-N 385.533 4.657 0 40 GJAB Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCC(=O)O 8277807 JCDPEAUBSUNWDT-UFWORHAWSA-N 382.641 4.625 0 40 GJAB C[C@H](NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C)c1ccc2ccccc2c1 8327363 MCDUQAXWUQULPV-CABCVRRESA-N 391.442 4.925 0 40 GJAB O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 8869934 ONNDXSWYWQLQTE-SFHVURJKSA-N 394.298 4.580 0 40 GJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1 9199393 WYHUBBXXRNIHCO-UHFFFAOYSA-N 380.517 4.808 0 40 GJAB CCC(=O)OCCSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 9334534 JMLDXBVYBDGRIC-UHFFFAOYSA-N 387.888 4.894 0 40 GJAB O=C(c1cc2ccccc2o1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 10822369 DIKGBXAAZVHLPF-UHFFFAOYSA-N 389.451 4.672 0 40 GJAB CSc1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 10865828 UMIFHFGFBPOJQY-UHFFFAOYSA-N 390.512 4.793 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)NCc2csc(-c3ccccc3)n2)cc1 10893799 XAZXNAVAUSKQLE-UHFFFAOYSA-N 380.513 4.803 0 40 GJAB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)c1c[nH]c2ccccc12 11408619 LDOSSHASWOWYQJ-ZDUSSCGKSA-N 394.525 4.995 0 40 GJAB CC(CNC(=O)CCn1cnc2ccccc21)(c1ccccc1)c1ccccc1 12638279 YATBOSHSPZPGJE-UHFFFAOYSA-N 383.495 4.549 0 40 GJAB CSCC[C@@H](NC(=O)C(C)C)c1nc2ccccc2n1Cc1ccccc1 12648144 ZOLQDEFLLJPUBH-LJQANCHMSA-N 381.545 4.651 0 40 GJAB CCOc1cc(C(=O)N(C)c2nc3ccccc3s2)ccc1OC(F)F 12807800 HUZRQGUMGQNNNW-UHFFFAOYSA-N 378.400 4.573 0 40 GJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](C)c3ccc(F)cc3)c12 12900986 ZNXTVEXHJVHXIX-CYBMUJFWSA-N 375.403 4.828 0 40 GJAB CCOc1ccccc1NC(=O)c1c(-n2cccc2)sc2c1CCSC2 12939593 BYZCMXUVLVCULE-UHFFFAOYSA-N 384.526 4.979 0 40 GJAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(F)cc1Br 12973439 JVDNUIDZCDTQKU-UHFFFAOYSA-N 377.238 4.964 0 40 GJAB Cn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@H]3CCCC[C@@H]3C2)c1=S 13071834 SUUKMYRYSFDUBL-GDBMZVCRSA-N 376.957 4.741 0 40 GJAB CC(C)c1cc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(C(C)C)c1O 15414448 SUVMMINLZBWCLC-SFTDATJTSA-N 392.499 4.809 0 40 GJAB COc1ccc(C(=O)c2ccccc2)c(OCc2nc3ccccc3nc2C)c1 16265289 WJMJFYZCMSPMEC-UHFFFAOYSA-N 384.435 4.757 0 40 GJAB Clc1cccc(CSc2nnc(-c3ccco3)n2C[C@H]2CCCO2)c1 17076884 JEZXNOUCSWCNAY-OAHLLOKOSA-N 375.881 4.663 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C3CCCCC3)o2)c1C 18359222 IQJJCMLQPOHVFN-CYBMUJFWSA-N 375.494 4.628 0 40 GJAB CCOc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1ncccc1C)OCO2 19532521 LTBGDJVLRKBYIF-SFHVURJKSA-N 396.512 4.653 0 40 GJAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc(C(=O)O)c1O 20150982 OOMPZYRXFPZHNP-VQHVLOKHSA-N 397.814 4.964 0 40 GJAB COc1ccc([C@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1OC 20457020 VZMOENHZSHPTPH-LBPRGKRZSA-N 397.899 4.607 0 40 GJAB O=c1cc(CN2CCC[C@H]2c2cccs2)nc2scc(-c3ccccc3)n12 21473127 NRUIMKAXLOYOMA-KRWDZBQOSA-N 393.537 4.822 0 40 GJAB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1ccccc1Cl 21577153 UGOZUIVNOSZNPX-UHFFFAOYSA-N 391.899 4.596 0 40 GJAB CCCCCOc1ccc(S(=O)(=O)NCc2ccccc2)c2ccccc12 28251851 WCTXBEYAKQQHID-UHFFFAOYSA-N 383.513 4.887 0 40 GJAB Cc1ccc(C)c(NC(=O)c2c(N)n(C(=O)c3ccccc3)c3ccccc23)c1 28535239 SQPWYEOKQNRIGK-UHFFFAOYSA-N 383.451 4.781 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 30848923 XRYZVXWQQONFNB-NRFANRHFSA-N 398.478 4.638 0 40 GJAB O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)Nc1cccc2ccccc12 32609913 RJWCSAPZYKVHCS-UHFFFAOYSA-N 377.835 4.777 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2ccccc2c(=O)[nH]1 32716990 DZWRLIQGABFAOO-UHFFFAOYSA-N 390.361 4.588 0 40 GJAB CC(C)c1ccc([C@@H](C)NC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 32802302 QSYSMCNLZMFMDO-UTKZUKDTSA-N 376.504 4.693 0 40 GJAB Cc1ccc(-c2nc(CC(=O)N(C)Cc3c(F)cccc3Cl)cs2)o1 32816088 IYXLRFQGWHHIPC-UHFFFAOYSA-N 378.856 4.705 0 40 GJAB COc1ccccc1CNc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57222654 MDBLJPNZIGYRRY-UHFFFAOYSA-N 387.527 4.630 0 40 GJAB CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1CCC[C@@H]1c1ccsc1 58305030 FJRXLIOAIYSABX-SUMWQHHRSA-N 382.485 4.861 0 40 GJAB COc1ccc2c(c1)[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[C@H]3CCCCO3)CC[C@@H]12 65743340 KBLHOUGMAXJFJU-QQUQGPDRSA-N 386.532 4.954 0 40 GJAB in-vitro Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c1 67292746 AVIQKUKRNJXIPI-UEAMBXKFSA-N 396.874 4.536 0 40 GJAB C[C@H](NC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc2c(c1)CCCC2 71897617 NCRPJRLJONBOFQ-IBGZPJMESA-N 392.543 4.674 0 40 GJAB FC(F)(F)c1cccc(-c2cncc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 72359408 SJVQDJJZMCHRCP-GOSISDBHSA-N 398.432 4.937 0 40 GJAB C[C@H](Cc1nc2ccccc2s1)NC(=O)c1occc1COc1ccccc1 78714503 KNMGVMCJGFFYBN-OAHLLOKOSA-N 392.480 4.829 0 40 GJAB CC(C)c1sc(Br)nc1C(=O)Nc1ccc(F)c(F)c1F 95480767 JHGANFCDHWDUTO-UHFFFAOYSA-N 379.201 4.699 0 40 GJAB CC(C)(CCC(=O)OC(C)(C)C)NCc1cnc(-c2ccc(Cl)cc2)nc1 95966154 YPOGSAMWNADJJQ-UHFFFAOYSA-N 389.927 4.787 0 40 GJAB COCc1nc(N[C@H](C)[C@H]2CCCOC2)c2c(-c3ccccc3)csc2n1 96002026 CAMDACMALWTKBB-ZBFHGGJFSA-N 383.517 4.732 0 40 GJAB CSc1ccc(/C=C/C(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1 96119900 LJMAYZIVLWHNDD-IZZDOVSWSA-N 383.494 4.624 0 40 GJAB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1ccccc1 106680317 FDCRUTRPALXLNW-ZSOIEALJSA-N 380.252 4.936 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 216234843 PCWLLJQGYMXXQW-OAHLLOKOSA-N 387.501 4.771 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)ccc1Cl 219547635 GOKIASOJVIUCLZ-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB O=C(COc1ccccc1F)NCCSCc1ccc(Cl)c(Cl)c1 222774190 GBTHYULUZUNMMZ-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1cccc2ccccc12 222860320 BMIUUQVLYBVLFI-UHFFFAOYSA-N 380.296 4.766 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)ccc1Cl 222969014 MQVIXZZLNCSPNA-GOSISDBHSA-N 389.879 4.930 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cccc2c1CCCC2 223447855 SCFXBIXROAIYRH-HXUWFJFHSA-N 379.500 4.671 0 40 GJAB O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1ccc(F)c(Cl)c1 224291470 QHLTWZMHSFSNNQ-UHFFFAOYSA-N 376.750 4.845 0 40 GJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)c(Cl)c1Cl 224613706 SHLWYCRUVSPELR-UHFFFAOYSA-N 388.316 4.951 0 40 GJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)[nH]1 225358424 OAVOLYHEWPKQHO-SFTDATJTSA-N 392.528 4.682 0 40 GJAB CC[C@H](CNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)Cc1ccccc1 225632104 XAMICSVDEBQCTF-AWEZNQCLSA-N 390.936 4.682 0 40 GJAB C[C@H](O)c1ccc(C2(CNC(=O)NCc3ccc(Cl)cc3)CCCC2)s1 225685996 CAIZOIMALQBQOJ-AWEZNQCLSA-N 392.952 4.766 0 40 GJAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1)c1ccccc1 242754695 DIVVSLMMMRFRKW-GOSISDBHSA-N 392.543 4.714 0 40 GJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816775 QFZTUPYGHLVHMF-AUSIDOKSSA-N 390.568 4.864 0 40 GJAB O=C(Nc1cccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1)NC1CC1 502074546 PKNFXXFCPSLVHR-UHFFFAOYSA-N 393.462 4.582 0 40 GJAB Cc1ccc(C(=O)[C@@H](NC(=O)c2ccccc2)SCc2ccccc2)cc1 585152255 HHWBJQDWRLBHMJ-QHCPKHFHSA-N 375.493 4.867 0 40 GJAB CC(C)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 830341 SKQJCWFSZVFNQU-UHFFFAOYSA-N 392.238 4.607 0 40 GJAB COc1ccc(CCC(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1 1429199 IDGITCVAJJVJBQ-UHFFFAOYSA-N 385.467 4.665 0 40 GJAB COc1ccc2c(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)c[nH]c2c1 2201070 RGRCHGDNVHBNOU-UHFFFAOYSA-N 378.259 4.848 0 40 GJAB O=C(Sc1cccc2cccnc12)C(=O)Sc1cccc2cccnc12 3185958 LWGUSTSKNNIVBL-UHFFFAOYSA-N 376.462 4.721 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)s2)cc1 3334826 MDOJBQSIJZDRIM-AWEZNQCLSA-N 384.530 4.560 0 40 GJAB COc1ccc(CCC(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)cc1 3419902 MHGJQIMZKFVQED-CQSZACIVSA-N 388.920 4.806 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1C[C@H](C(C)(C)C(C)C)C[C@@H](C)C1=O 4061927 JQRKTVYMLPNBDE-NKSTXHLWSA-N 388.504 4.829 0 40 GJAB CCOC(=O)N1CCN(CCCCCOc2ccc(C(C)(C)CC)cc2)CC1 4429332 LLJVRJKQOJDPIR-UHFFFAOYSA-N 390.568 4.697 0 40 GJAB Cc1ccccc1NC(=O)N(Cc1nnc2n1CCCCC2)c1ccc(F)cc1 4518171 VIXVLFHOSAGEQC-UHFFFAOYSA-N 393.466 4.691 0 40 GJAB COc1cc(-c2nc3ncccn3c2Nc2ccc(C)c(Cl)c2)ccc1O 4734041 CIZGQNRZJIZTGR-UHFFFAOYSA-N 380.835 4.816 0 40 GJAB COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 5019817 CIYLVFZQOAPAHS-MRXNPFEDSA-N 396.314 4.850 0 40 GJAB C[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 5239450 IJJQIKNAVNUGIB-JTQLQIEISA-N 384.358 4.553 0 40 GJAB C[C@H]1CCc2c(sc3ncnc(N4CCN(c5cccc(Cl)c5)CC4)c23)C1 5694700 CRMHLUALLBRCFH-AWEZNQCLSA-N 398.963 4.796 0 40 GJAB CSc1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1 6152550 SNRMXQXLOJCLIR-UHFFFAOYSA-N 386.698 4.842 0 40 GJAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccc(F)cc1F 6485690 JMVOFGGJXKGJKH-UHFFFAOYSA-N 383.350 4.553 0 40 GJAB Nc1nc(CSc2nc(-c3ccccc3)cs2)nc(Nc2ccccc2)n1 7372370 MVLFJVVFHRRRBV-UHFFFAOYSA-N 392.513 4.613 0 40 GJAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccc(NC(C)=O)c1 7605082 AKUIITPBZXDZBY-UHFFFAOYSA-N 386.908 4.869 0 40 GJAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(Cl)cc2)cc1 8476799 LDHWCXBGQNLIGG-UHFFFAOYSA-N 394.906 4.959 0 40 GJAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2)n1 8664934 VFBHGJZQGKIPHM-QFIPXVFZSA-N 396.446 4.863 0 40 GJAB COc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1OC 10120015 LEMXVMHDKOJNGP-UHFFFAOYSA-N 388.423 4.688 0 40 GJAB O=C(Nc1nc2ccccc2s1)N1CCC(CCc2ccc(O)cc2)CC1 10383232 FQMCFRAHYLCOOR-UHFFFAOYSA-N 381.501 4.879 0 40 GJAB COc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)cc1 12441702 YKOCJJFGTKIXLP-UHFFFAOYSA-N 390.468 4.565 0 40 GJAB Cc1ccc(F)cc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 12796795 AYOVKAVXRRRUCJ-UHFFFAOYSA-N 390.458 4.778 0 40 GJAB CCc1ccc(NCc2cc3c(C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 13564691 ROZBFSQOAIXPAO-UHFFFAOYSA-N 392.890 4.850 0 40 GJAB C[C@@H]1CCc2c(sc3ncnc(Sc4nc(-c5ccccc5)n[nH]4)c23)C1 14252938 YTQLOUPYBKGXOF-LLVKDONJSA-N 379.514 4.752 0 40 GJAB O=C(CNc1ccc(OC(F)F)c(Cl)c1)Nc1ccc(F)c(Cl)c1 15124758 HRAVYSNTLDWOSI-UHFFFAOYSA-N 379.165 4.785 0 40 GJAB O[C@@H](COc1ccccc1)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 15860784 JLZXMZIVFSHDNO-LJQANCHMSA-N 392.886 4.720 0 40 GJAB Cc1ccc(C(=O)/N=c2\scc(C)n2C(=O)c2ccc(C)c(C)c2)cc1C 17077435 IGFMNVRPXABHTL-FCQUAONHSA-N 378.497 4.521 0 40 GJAB Cc1c(C(=O)N2CC[C@H](c3nc(C)n4c(C)csc34)C2)[nH]c2ccc(F)cc12 19240499 QAGHMPMYMNUUGU-AWEZNQCLSA-N 396.491 4.571 0 40 GJAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1OC 21285710 HCAYSDVKMARNSA-UHFFFAOYSA-N 398.484 4.787 0 40 GJAB CCN(CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1Cl 21807474 JOFXOOPMBKIROG-HXUWFJFHSA-N 397.906 4.808 0 40 GJAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1(C)C 22006686 YWANYZNFTRQIOX-ZWKOTPCHSA-N 380.454 4.592 0 40 GJAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1OC 22520284 IIOHBWSSAUZJCS-CVEARBPZSA-N 379.456 4.502 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)c2cccs2)o1 23435313 FFMWKVQUSWAYNN-HNNXBMFYSA-N 377.469 4.993 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2csc(-c3ccco3)n2)cc1 31421248 FPEFQCRDFBOIOH-CYBMUJFWSA-N 386.498 4.866 0 40 GJAB Cc1cc(C)c2c(n1)sc1c(SCC(=O)N(C)c3ccccc3)ncnc12 32072457 SFUSZDAHLNJDOR-UHFFFAOYSA-N 394.525 4.611 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Oc4ncccn4)c3)cs2)o1 33174963 ITHNQYNRELGRQN-UHFFFAOYSA-N 378.413 4.546 0 40 GJAB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2c(C)cccc2C)cc1 33574043 VZUFCEJKDGNFFY-UHFFFAOYSA-N 393.483 4.877 0 40 GJAB COc1cc([C@@H]2CC(O)=Nc3nc(N)sc32)ccc1OCc1cccc(F)c1 36357129 ASDVWOZCCRGLNN-AWEZNQCLSA-N 399.447 4.576 0 40 GJAB COc1cccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1OC 40119494 YOQRZVPGBSZVNG-UHFFFAOYSA-N 387.439 4.579 0 40 GJAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)ccc1Cl 44849490 WELUWNKGUNRNSW-ZDUSSCGKSA-N 375.852 4.656 0 40 GJAB O=C(CSc1cc(N2CCCCC2)ncn1)Nc1ccc(Cl)cc1Cl 49006683 NDPVYUHZIJTYTN-UHFFFAOYSA-N 397.331 4.505 0 40 GJAB O=C(CCCc1ccc(Cl)cc1)Nc1ccccc1OCCn1ccnc1 57359184 GGOXVUIGJLNJSH-UHFFFAOYSA-N 383.879 4.577 0 40 GJAB COc1ccc(N(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)[C@@H](C)C2CC2)cc1 58158908 RDRNTNYQTKTJSR-SBUREZEXSA-N 395.499 4.698 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 59317704 ZFQQNIRJMDORIM-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 59317705 ZFQQNIRJMDORIM-JTQLQIEISA-N 383.662 4.638 0 40 GJAB Cc1nc(-c2cc(C)n(CC(=O)N[C@H]3CCc4c(Cl)cccc43)c2C)cs1 65748284 SPVXVMJBRZAYCY-IBGZPJMESA-N 399.947 4.994 0 40 GJAB Nc1cc(Cl)c(NC(=O)c2ccccc2Br)cc1N1CCCC1 72229202 VNXVAJOHHCZGAZ-UHFFFAOYSA-N 394.700 4.537 0 40 GJAB C[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)c1nc(C2CCCCC2)no1 72303763 OIBYELHHFAHYQV-CQSZACIVSA-N 391.899 4.807 0 40 GJAB CNc1ncccc1CN1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359812 OZSZIHBJNKCKOO-QGZVFWFLSA-N 393.922 4.613 0 40 GJAB COc1ccc(OC[C@H](O)Cn2c(C3CCCCC3)nc3ccccc32)cc1 82087078 JPJRZFGRYCYWST-GOSISDBHSA-N 380.488 4.533 0 40 GJAB OCC1CCN(c2ccccc2NCc2ncc(-c3ccc(Cl)cc3)o2)CC1 89814379 IJZKIADJFORQPH-UHFFFAOYSA-N 397.906 4.816 0 40 GJAB O=C(c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1)N1CCCCC1 96155414 AIHWRZFTOASVGF-UHFFFAOYSA-N 388.446 4.557 0 40 GJAB c1ccc(CN2C[C@@H]3CN(CC(c4ccccc4)c4ccccc4)C[C@H]3C2)cc1 96245624 JIYGBLYRRARIFK-CLJLJLNGSA-N 382.551 4.882 0 40 GJAB Cc1ccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)c(Br)c1 103442101 OXGLIMMPQFZOFM-CYBMUJFWSA-N 392.680 4.533 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(OC(C)C)c1 113970982 QHCQKCMZWHMQNX-HXUWFJFHSA-N 375.896 4.909 0 40 GJAB COc1ccc2cc(C(=O)N3CCS[C@H](c4ccccc4F)CC3)[nH]c2c1 219115345 GNQMDVMHTGODRR-FQEVSTJZSA-N 384.476 4.636 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C(C)C 223341311 PJYXOGHPSABBKS-NHCUHLMSSA-N 394.544 4.847 0 40 GJAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1C(C)C 223382709 HEHKZDBEGHWUHF-SFHVURJKSA-N 391.515 4.863 0 40 GJAB Cc1cccc(OCCNC(=O)CSCc2c(F)cccc2Cl)c1C 223902323 QNUPZPNRMIAWDA-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB COc1cc(Br)c2[nH]c(Cc3ccc(Br)cc3)nc2c1 226342619 NFRBVCGFURKGJZ-UHFFFAOYSA-N 396.082 4.687 0 40 GJAB Cc1cc(Br)c2[nH]c(-c3ccc(Br)c(N)c3)nc2c1 226343759 LYRKGXYHPJHYCL-UHFFFAOYSA-N 381.071 4.646 0 40 GJAB CCCCCC(=O)NC(=S)Nc1cc(-c2ccc(C(=O)O)o2)ccc1Cl 226351050 WCJUCYCYDDAXQL-UHFFFAOYSA-N 394.880 4.692 0 40 GJAB CCSc1ccccc1C(=O)N1C[C@H](c2ccccc2)[C@@H](c2nc(C)no2)C1 238820290 CMJMCBROCRMITN-MOPGFXCFSA-N 393.512 4.513 0 40 GJAB Cc1ccnc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257231060 GFAWQDASKYEMQW-HXUWFJFHSA-N 387.483 4.530 0 40 GJAB COc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(Cl)cc1 408577184 RSTBMHWBIBZJMX-UHFFFAOYSA-N 387.888 4.986 0 40 GJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cc(C)ccc3C)sc2n1 408624126 UPNFSXBJZSEJGV-UHFFFAOYSA-N 398.557 4.883 0 40 GJAB COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1 409005361 VEFGDOOBHFFPLB-RIYZIHGNSA-N 381.737 4.712 0 40 GJAB CSc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1 409053521 ZCWYNHGNEJMMEC-ATVHPVEESA-N 389.473 4.663 0 40 GJAB Cc1s/c(=N\C(=O)c2cccs2)n(C)c1-c1ccc(Br)cc1 409197358 CNLINFMGRFPWTA-VLGSPTGOSA-N 393.331 4.627 0 40 GJAB Cc1cccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 409235423 PQPRZYJCXRUQJK-CPNJWEJPSA-N 391.858 4.845 0 40 GJAB COc1c(C)ccc(NCc2ccc(OCCn3ccnc3)c(Cl)c2)c1C 1620737716 HRMLBGPXAVELAG-UHFFFAOYSA-N 385.895 4.853 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)Cc1ccc(F)cc1 1224446 BVCLOLVMEQFVBM-UHFFFAOYSA-N 387.410 4.775 0 40 GJAB CC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCCc2ccccc21 1337718 OQJDZHBUVCELLP-LJQANCHMSA-N 381.911 4.624 0 40 GJAB CCOc1ccc(-c2nnc(N(C(=O)c3cccc(C)c3)C(C)C)s2)cc1 1345576 SBNJTKOIGSQLJA-UHFFFAOYSA-N 381.501 4.967 0 40 GJAB CC(C)N(C(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1)C(C)C 1381409 QOXKZYRPNHIFLO-UHFFFAOYSA-N 399.535 4.961 0 40 GJAB CSc1c(CC(=O)Nc2ccc(OC(F)(F)F)cc2)n(C)c2ccccc12 1422608 BKSOWMQUWZGOQW-UHFFFAOYSA-N 394.418 4.980 0 40 GJAB CCOc1ccc([C@@](O)(CCN2CC3CCC(CC3)C2)c2ccccc2)cc1 1615861 YWXPOUZKRCMZLE-UXIGSVSMSA-N 379.544 4.833 0 40 GJAB C[C@@]1(C(=O)Nc2cccc3ccccc23)CC1(Br)Br 2300673 VLOJVJXHBMLTRV-AWEZNQCLSA-N 383.083 4.674 0 40 GJAB O=C1C[C@H](c2ccccc2Cl)Cc2nc(N3CCc4ccccc43)ncc21 2435013 PWUCEIORIXZWDQ-OAHLLOKOSA-N 375.859 4.737 0 40 GJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(C(F)(F)F)cc1 3126454 AYCUSCMZRDASML-UHFFFAOYSA-N 395.768 4.980 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)/C=C/c2ccco2)c2ccccc2)c1 3246985 KAWBOEYPEGCFIX-GNNUASRNSA-N 375.424 4.833 0 40 GJAB Cc1ccc2c(CSc3nnc4sc5ccccc5n34)cc(=O)oc2c1 3355083 ZBZXXHJACLZQKA-UHFFFAOYSA-N 379.466 4.651 0 40 GJAB COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1 3398830 FFXRJPKRYBHGOZ-WEVVVXLNSA-N 380.271 4.682 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 3402100 OVPKNPKLXDMTDO-IBGZPJMESA-N 387.479 4.648 0 40 GJAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1C(C)C 4736103 HTQDCZNZVVNMNZ-UHFFFAOYSA-N 384.505 4.973 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nc2ccc(OC)cc2cc1CC 4849345 BBWYTNDTTRZOBF-UHFFFAOYSA-N 396.512 4.935 0 40 GJAB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1c(O)ccc2ccccc12 5950282 XFWPECLRFFZLKZ-ZHZULCJRSA-N 391.467 4.551 0 40 GJAB Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1 6479575 IYCPHRAXXXOBCX-UHFFFAOYSA-N 379.481 4.530 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)c2cccs2)cc1OCCC 6811505 JVPACXWEDQEMIL-UHFFFAOYSA-N 387.461 4.628 0 40 GJAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc3ccccc3c2)c1Cl 6886563 CAOINUPRZUEAHZ-UHFFFAOYSA-N 389.238 4.646 0 40 GJAB C[C@@H](C(=O)Nc1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 6929221 GIWWCJGEJQEIGD-QMHKHESXSA-N 395.462 4.740 0 40 GJAB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccn2-c2ccccc2)C1=O 7098041 YVRDUIBMQHVWBC-DEDYPNTBSA-N 385.448 4.585 0 40 GJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NCC1CCCCC1 7160828 WTKYTYCLUBWTRP-LBPRGKRZSA-N 397.466 4.826 0 40 GJAB COc1ccc(OC)c(CSc2nnc(Cc3cccs3)n2C2CC2)c1 7546629 AATORUODXRXMKB-UHFFFAOYSA-N 387.530 4.575 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1C 8498515 LNGIJICLDGELDZ-OAHLLOKOSA-N 395.927 4.913 0 40 GJAB CCCc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 11870320 HZJQDOSWUBXKFK-UHFFFAOYSA-N 380.517 4.897 0 40 GJAB CC(C)(C)c1nc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)no1 12907047 XHEDTAAIYZEXBO-UHFFFAOYSA-N 394.504 4.734 0 40 GJAB C[C@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc2ccccc2c1 15227772 XTHYCNBCFFPJKZ-ZDUSSCGKSA-N 394.525 4.656 0 40 GJAB Clc1ccccc1COc1ccccc1CNCc1ccc2c(c1)OCO2 16449754 AYRUSOUICLEHRU-UHFFFAOYSA-N 381.859 4.938 0 40 GJAB O=C(/C=C\c1ccccc1)N1CCN(C(=O)/C=C/c2ccccc2)c2ccccc21 17376343 WYNLLKOVJYOTFX-JRDMOELTSA-N 394.474 4.793 0 40 GJAB CCOc1ccc(CCCNC(=O)c2cc3ccccc3cc2OC)cc1OC 20039953 MMYOBBMVCNPRST-UHFFFAOYSA-N 393.483 4.618 0 40 GJAB O=S(=O)(Nc1ccccc1Br)c1cc(Cl)sc1Cl 20626881 RGTBLZCVRFDMGJ-UHFFFAOYSA-N 387.107 4.618 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 21625106 VACMCYHOGPVMTB-OAQYLSRUSA-N 395.890 4.571 0 40 GJAB C[C@@H](NC(=O)c1occc1COc1ccccc1)c1ccc(OC(F)F)cc1 23054021 DQYKTWGKLWTXAP-CQSZACIVSA-N 387.382 4.951 0 40 GJAB COc1ccc(NC(=O)c2oc3cc(Br)ccc3c2C)c(OC)c1 27663339 BAPWVBJVBOPTON-UHFFFAOYSA-N 390.233 4.773 0 40 GJAB COc1ccc(OCc2ccc(C(=O)Nc3cc(C)nn3C3CCCC3)o2)cc1 28243753 LCDBXVMRIAHBCT-UHFFFAOYSA-N 395.459 4.740 0 40 GJAB CCN(CC)[C@@H](CNC(=O)COc1ccccc1C)c1ccc(C(C)(C)C)cc1 28290636 BMDDUXFTVZFJOL-QFIPXVFZSA-N 396.575 4.871 0 40 GJAB CC(C)C(=O)N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 28293974 BCNXVPGZEYUASC-NSHDSACASA-N 377.621 4.586 0 40 GJAB CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(F)cc2Br)c1 36395518 HKRCSHSZNMFXSS-GFCCVEGCSA-N 380.257 4.866 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCC(Cn2c(C)nc3ccccc32)CC1 38533897 UGXRNPDVOMZOPX-UHFFFAOYSA-N 397.906 4.559 0 40 GJAB CCSc1ccccc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC 38677891 BNURWFBQRMAXQV-UHFFFAOYSA-N 398.528 4.822 0 40 GJAB O=S(=O)(Cc1coc(-c2ccccc2)n1)Cc1ccc(Cl)cc1Cl 40060027 PVYBTXBHOVQOQR-UHFFFAOYSA-N 382.268 4.763 0 40 GJAB CC(C)(C)c1nc2cc(NC(=O)c3cccc(N4CCCC4=O)c3)ccc2o1 40081641 KPGAYLCJUWTFGT-UHFFFAOYSA-N 377.444 4.504 0 40 GJAB CC(=O)Nc1cccc([C@@H](C)OC(=O)Cc2csc(-c3ccc(C)o3)n2)c1 40157857 YWYWPKAOIWSXOV-CYBMUJFWSA-N 384.457 4.517 0 40 GJAB CCN(CC)CCOC(=O)c1ccc(Nc2cc(C)c3ccccc3n2)cc1 41127693 DSCBSHZJEMJRJF-UHFFFAOYSA-N 377.488 4.785 0 40 GJAB O=C(CCc1cccc(Cl)c1Cl)Nc1cccc(CN2CCOC2=O)c1 48394642 VMWOKEDFLFHUNX-UHFFFAOYSA-N 393.270 4.517 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 57412683 HRXMRMGUIZKLEQ-UHFFFAOYSA-N 376.243 4.953 0 40 GJAB CC[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)c1nc(-c2ccccc2)c[nH]1 58216372 PNKINKRTWNATOP-IBGZPJMESA-N 383.517 4.630 0 40 GJAB Cc1ccc(NC(=S)Nc2ccc(I)cc2)cc1F 71761694 JYJFCUSUVCSWSO-UHFFFAOYSA-N 386.233 4.548 0 40 GJAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](c2ccc(F)c(Cl)c2)S1 95478235 YCTLTMUBKGJPSG-HNNXBMFYSA-N 381.860 4.619 0 40 GJAB CC(=O)c1sc(NC(=O)c2cnc([C@H]3CCCO3)s2)nc1-c1ccccc1 95976489 GWXHSODIKRYWOY-CYBMUJFWSA-N 399.497 4.573 0 40 GJAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccsc4)o3)CC2)cc1 100156364 NAMDBNPUEJSPEL-WOVMCDHWSA-N 381.501 4.810 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@H]2c2cccs2)C[C@@H](c2ccc(F)cc2)C1 102839072 FXIJXCKSQWEFDY-DIFFPNOSSA-N 382.420 4.899 0 40 GJAB c1csc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 106617390 KHSLOHXNPCVGOQ-HTAPYJJXSA-N 390.464 4.762 0 40 GJAB COc1ccc(-c2nc(/C=C/C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cs2)cc1 110510281 DRPTTYXRDVBETF-GSFKVSMZSA-N 382.529 4.773 0 40 GJAB CCCC[Sn]1(CCCC)OC(=O)c2ccc(C)cc2O1 195997873 UFQHVVQJRXWVSU-UHFFFAOYSA-L 383.076 4.587 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC 214459817 VYFIODPXFPYHKH-XDHOZWIPSA-N 383.469 4.639 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c(C)c1 219606756 UAZDOOWAHHWVQM-GOSISDBHSA-N 375.852 4.621 0 40 GJAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1C(C)C 223741941 WJMGDLSTCCNIQE-UHFFFAOYSA-N 389.561 4.937 0 40 GJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225206051 SCYLXAAINDNARN-JTQLQIEISA-N 394.283 4.918 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 225350921 ILYFFOXDMWAXBV-UHFFFAOYSA-N 397.733 4.928 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)c1snnc1-c1cccs1 225790691 IMQNXLJCPMCLPM-UHFFFAOYSA-N 377.494 4.786 0 40 GJAB COc1cccc2c1OC1(CCN(Cc3ccccc3F)CC1)[C@H]1CCCO[C@H]21 257333181 YANISNALBUXQRK-SIKLNZKXSA-N 397.490 4.729 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260816931 SEYDJNUIEGQQLF-CVDCTZTESA-N 390.568 4.721 0 40 GJAB CC(C)n1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccccc2)CC1 306143226 XWSLFHZIQGOJPG-UHFFFAOYSA-N 387.483 4.655 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 408622016 PFQAFCPIQVSWGG-UHFFFAOYSA-N 394.858 4.782 0 40 GJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCC2)cc1 408676410 NQUDAHQWRUTEQL-UHFFFAOYSA-N 390.483 4.637 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)c3cc(F)c(F)cc3Cl)co2)cc1 522573534 AADUOGWAJSIOMJ-UHFFFAOYSA-N 376.790 4.554 0 40 GJAB CCOCC1(c2nc([C@@H](Oc3ccc(Br)cc3)C(C)C)no2)CC1 576861920 XFQWJWNFMXODLT-HNNXBMFYSA-N 395.297 4.676 0 40 GJAB COc1ccc(-c2noc([C@@H](NC(=O)c3ccccc3C)C(C)(C)C)n2)cc1 585152368 VGPSOZFDVVNMNV-GOSISDBHSA-N 379.460 4.571 0 40 GJAB CC1CCC(c2noc([C@@H]3CCO[C@H]3c3cncc(Br)c3)n2)CC1 664769567 GSQKEZXTNPHYTJ-TUHYSUIHSA-N 392.297 4.766 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CC[C@@H]2N1c1cccc(F)c1 1615159337 UJPAEADZWHHQGP-APWZRJJASA-N 398.547 4.896 0 40 GJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NCc3cccnc3)cc2)cc1 897860 JOUZIJXDZGXIBF-UHFFFAOYSA-N 387.483 4.561 0 40 GJAB Cc1cccnc1N(C(=O)Nc1cccc(C(F)(F)F)c1)C1=NC[C@@H](C)S1 1279332 VICOMOLMHPLFJJ-GFCCVEGCSA-N 394.422 4.939 0 40 GJAB CCOc1ccc(NC(=O)c2sc3nc(C)c4c(c3c2N)CCCC4)cc1 1471968 KBDPJEXZXVWUPS-UHFFFAOYSA-N 381.501 4.717 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@@H](C)C2 1904689 DBIDLXPJAIJHJW-LLVKDONJSA-N 377.893 4.955 0 40 GJAB COc1cccc(-c2coc3c(C)c4oc(=O)c(CCC(=O)O)c(C)c4cc23)c1 2129393 LOUFPKWYPZGJBT-UHFFFAOYSA-N 392.407 4.849 0 40 GJAB biogenic COc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(Cl)cc4)nc3C2)cc1 2212007 GYOOICOGMKXNNR-AWEZNQCLSA-N 379.847 4.795 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1OCc1ccc(F)cc1 3345955 QNKGEDXEHLHTQT-UHFFFAOYSA-N 388.442 4.859 0 40 GJAB c1ccc(SCc2nc(N3CCOCC3)c3c4c(sc3n2)CCCC4)cc1 3407510 QLZNGBBGAKSZJN-UHFFFAOYSA-N 397.569 4.699 0 40 GJAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 4788654 VMSDSBBNXNQGRD-CVEARBPZSA-N 378.453 4.569 0 40 GJAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc(Cl)c(Cl)c1 5248992 LPUDUHRVISLYHL-UHFFFAOYSA-N 387.679 4.649 0 40 GJAB Cc1ccc(Cn2c([C@H](C)NC(=O)COc3ccccc3)nc3ccccc32)cc1 5545790 PUWJYQBKRBAMDE-IBGZPJMESA-N 399.494 4.649 0 40 GJAB Cc1cc2occ(CC(=O)OCC(=O)Nc3ccc(F)cc3Cl)c2cc1C 5628212 SEGZKSVIPFFPDF-UHFFFAOYSA-N 389.810 4.567 0 40 GJAB O=C(/C=C/c1ccco1)Nc1ccc2nn(-c3cccc(C(F)(F)F)c3)nc2c1 5750124 UGUHAOQSEJUGMZ-VQHVLOKHSA-N 398.344 4.684 0 40 GJAB Cc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(OCc2ccccc2)cc1 5814996 YGMQOKSDOAYLGX-UHFFFAOYSA-N 388.872 4.995 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccccc2Cl)C1 5898570 CCNSUXABUKSFOR-JTQLQIEISA-N 383.662 4.638 0 40 GJAB CN(C)c1cccc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)c1 6831592 YVSUNVURIKGLBA-HXUWFJFHSA-N 389.524 4.857 0 40 GJAB C[C@H](NC(=O)CSc1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 7021733 VGFUYFULDTVCEB-AWEZNQCLSA-N 383.469 4.564 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)c1ccccc1OCc1cn2ccccc2n1 7318883 GZTGMNKEKHPWOD-QFIPXVFZSA-N 397.478 4.721 0 40 GJAB O=C(CSc1ccc(F)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7407307 QKBYGPIMTLWGDF-UHFFFAOYSA-N 396.491 4.541 0 40 GJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1CCCCCC1 8174473 VPJDLURSSPZUQN-LBPRGKRZSA-N 383.439 4.532 0 40 GJAB CCCCc1ccc(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cc1 11240823 BGIXRRFGOGFHRT-UHFFFAOYSA-N 379.460 4.659 0 40 GJAB COc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4)o3)sc2c1 11807081 BWWHHQCPUYYHPB-UHFFFAOYSA-N 379.441 4.531 0 40 GJAB CCC[C@H](NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12)c1ccccc1 12928134 GEOLFUYZMWALFX-ICSRJNTNSA-N 392.528 4.811 0 40 GJAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1Cl 12982866 KQLCXUDCHMPGAT-NSHDSACASA-N 392.311 4.932 0 40 GJAB C[C@@H](NC(=O)CCSCc1ccccc1Br)c1ccccc1 13017544 ABOQBPVRFGCIJL-CQSZACIVSA-N 378.335 4.950 0 40 GJAB CCSc1nc(NCc2ccccn2)c2c3c(sc2n1)COC(C)(C)C3 13228266 MYEACFQHSQVJKQ-UHFFFAOYSA-N 386.546 4.662 0 40 GJAB CC(C)Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)OCO3)s1 14229613 ZBIITSWLCJSHSZ-UHFFFAOYSA-N 381.457 4.611 0 40 GJAB Cc1ccc(-c2nnc([C@@H]3CCCN(Cc4ccc(F)c(F)c4)C3)o2)s1 19217610 ABKPAUJLIKVBML-CQSZACIVSA-N 375.444 4.764 0 40 GJAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ccc(Cl)cc2)on1 19661795 USRXKWNOJGZMIB-UHFFFAOYSA-N 396.809 4.631 0 40 GJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20461640 PPOMFBVKELJNBL-SFHVURJKSA-N 394.515 4.671 0 40 GJAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccco3)c2)o1 23017272 OYYVJSCYQSEGSK-XEOPVTEJSA-N 376.412 4.900 0 40 GJAB CCCCN[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(Cl)(Cl)Cl 24302740 MGRDHYBMPDCKBA-OAHLLOKOSA-N 379.759 4.800 0 40 GJAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2SC2CCCC2)CC1 24579699 VQNYZBQBAKKAGH-UHFFFAOYSA-N 388.577 4.945 0 40 GJAB C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 24614687 XKMTVPZKCIHBRK-LBPRGKRZSA-N 380.271 4.575 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1 25159278 AGJYRHBCSXAZIT-HXUWFJFHSA-N 379.529 4.660 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)n1 27970443 ULEVKCGIOIVBLD-UHFFFAOYSA-N 389.377 4.699 0 40 GJAB COc1ccc(C(=O)N[C@@H](c2cccs2)C(C)C)cc1OCc1ccncc1 32421871 QAUJSMCRMHDMIM-OAQYLSRUSA-N 396.512 4.858 0 40 GJAB Cc1ccc(C)c2c(=O)cc(CSCC(=O)Nc3ccc(Cl)cc3)[nH]c12 33063752 AJBGNYCPEPKAAH-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB Cc1ccc(C)c(-c2nn(CN(C)Cc3ccccc3)c(=O)c3ccccc23)c1 37148970 OOOMROPJMRCPDA-UHFFFAOYSA-N 383.495 4.770 0 40 GJAB O=C(O)CCC[C@H](O)/C=C/C=C/C=C/[C@H](O)C/C=C/CCCCC(F)(F)F 38141778 YKIRCSCMMMEEDI-OSOCLEQDSA-N 390.442 4.701 0 40 GJAB CCn1c(SCCC(=O)NC2CCCCC2)nnc1-c1cccc(Cl)c1 40025032 ORTUPBNQXJVCGC-UHFFFAOYSA-N 392.956 4.550 0 40 GJAB Cc1c(C(=O)N2CCCCCC2)sc2ncc(C(=O)N3CCCCCC3)cc12 47931948 QLPLPLMLXJSHFW-UHFFFAOYSA-N 399.560 4.637 0 40 GJAB COC(=O)/C=C/c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 57327505 XJZPZJLIVRQVMW-QPJJXVBHSA-N 375.140 4.914 0 40 GJAB Cc1nc(C)c([C@H](C)NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)s1 63939289 PGDPTJIBAYWTEU-INIZCTEOSA-N 391.540 4.814 0 40 GJAB Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)cc1F 64471775 WIHUORUDGGSJLD-UHFFFAOYSA-N 381.476 4.615 0 40 GJAB COc1cc([C@@H]2SC(C)=Nc3c2c(O)nn3C(C)C)ccc1OC(F)F 71287883 IKYVWRYHXTUACE-AWEZNQCLSA-N 383.420 4.666 0 40 GJAB CCn1ccnc1CN1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72350301 MQAXSJIWMXCYQG-LJQANCHMSA-N 394.950 4.922 0 40 GJAB Cc1nc(CCN[C@H](c2ccc(Br)cc2)c2ccco2)cs1 95996257 UZYSADAMEBSADK-QGZVFWFLSA-N 377.307 4.729 0 40 GJAB CCOc1ccc2ccccc2c1C(=O)NCC[C@@H](CCO)c1ccccc1 206626275 RFCKFAQOBNYFNT-IBGZPJMESA-N 377.484 4.525 0 40 GJAB COc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1C 223007115 DRADCVWZFXZPAV-UHFFFAOYSA-N 384.328 4.974 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1C 225659881 WQQQPNNYJDEQJA-HNNXBMFYSA-N 384.545 4.824 0 40 GJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1cccc(Br)c1 225702420 CFDLFKHWBACMRH-QGZVFWFLSA-N 391.334 4.822 0 40 GJAB C[C@@H](NC(=O)CCc1nc(-c2ccccc2Cl)no1)c1ccc(Cl)cc1 225812107 CSKWLRGXIWNAJU-GFCCVEGCSA-N 390.270 4.853 0 40 GJAB COCCN(Cc1cccn1C(C)C)C(=O)c1ccc2nc(Cl)sc2c1 225984813 WHCZGICXXODUMK-UHFFFAOYSA-N 391.924 4.621 0 40 GJAB Cc1ccc(C[C@H]2CCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)nc1 257218548 DDNLLSSPEQRYEX-HXUWFJFHSA-N 386.495 4.820 0 40 GJAB Cc1cccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 257281277 OOKAXXKTIMTDSV-FQEVSTJZSA-N 395.890 4.990 0 40 GJAB Nn1c(/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccccc2c1=O 575415210 ZXFCEQBARUZLDV-PKNBQFBNSA-N 397.356 4.560 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1 633028 BBNNYJMGPAHRGN-UHFFFAOYSA-N 397.434 4.578 0 40 GJAB CCOc1ccc(C(=O)Oc2cccc3ccc(C)nc23)c(OCC)c1OCC 666612 NVTCDCNNRQFYGU-UHFFFAOYSA-N 395.455 4.959 0 40 GJAB COc1ccc2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c(C)cc2c1 933003 ASDRSURUFODIPK-HNNXBMFYSA-N 378.497 4.622 0 40 GJAB O=C(Oc1c(Br)cc(Br)c2cccnc12)c1ccco1 1065427 GMACNSWEPMXDPZ-UHFFFAOYSA-N 397.022 4.572 0 40 GJAB c1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCCO5)n23)cc1 1110254 OTZDFDJHVMDPTA-UHFFFAOYSA-N 381.482 4.521 0 40 GJAB CC1(C)CC(=O)c2cn3nc(SCc4cccc5ccccc45)nc3nc2C1 2198272 ZVBPJYHXQBMCKM-UHFFFAOYSA-N 388.496 4.725 0 40 GJAB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(F)c1 2290680 ZMVVUOOWUBDXGM-UHFFFAOYSA-N 397.413 4.547 0 40 GJAB C[C@@H](O)CNc1nc(SCc2ccccc2)nc2sc3c(c12)CCCC3 2377706 DXFRMPIKGJZNTM-CYBMUJFWSA-N 385.558 4.655 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3ccc(Cl)cc3)n2)c1 2651472 PINMYXPHQYGPIP-UHFFFAOYSA-N 388.876 4.662 0 40 GJAB CCCCO[C@@H]1C[C@H](c2ccc(OCc3ccc(F)cc3)c(OC)c2)N(C)O1 3048621 XVWVYGFZPKXLNC-KNQAVFIVSA-N 389.467 4.864 0 40 GJAB O=C(Nc1nnc(C2CC2)s1)c1cn(-c2ccccc2)nc1-c1cccs1 3269642 ARSVWWRGPVNICK-UHFFFAOYSA-N 393.497 4.582 0 40 GJAB COc1cc2c(cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C)oc1ccccc12 3353810 GMEAUMAPXXOMHL-UHFFFAOYSA-N 376.412 4.994 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ccc(NC(C)=O)cc1 3421140 CSIIKGIMPCUWOU-UHFFFAOYSA-N 386.517 4.682 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4547966 PKAJJHIBGZCFEY-JTQLQIEISA-N 383.662 4.638 0 40 GJAB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 4610773 SVBDUOMXSTZOEP-KMRIWGIYSA-N 399.446 4.768 0 40 GJAB Fc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=S)NC2CCCCC2)C3)cc1 4887936 BLBVCNXVLVKROY-SEJPIABJSA-N 389.584 4.508 0 40 GJAB Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1-c1ccccn1 4914747 LJJMQQNEROBCDS-BUHFOSPRSA-N 378.435 4.741 0 40 GJAB COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c(OC)c1 4930843 FVVZBVNITWIVKW-UHFFFAOYSA-N 393.468 4.641 0 40 GJAB CCC(C)(C)n1nnnc1[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(C)CC1 4968278 ZKPSGLKOQQXDIO-KRWDZBQOSA-N 395.473 4.658 0 40 GJAB CCOc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2)CSC3)cc1 5077655 KCHYPGKXBRCGCA-UHFFFAOYSA-N 393.512 4.507 0 40 GJAB Clc1cc(Cl)c2nnc(SCc3ncc(-c4ccccc4)o3)n2c1 6099457 ZTSNHVAKRHFGSP-UHFFFAOYSA-N 377.256 4.983 0 40 GJAB Cc1ccc(-n2c(SCC(=O)O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 6390869 IBBAKMATNPTHDA-UHFFFAOYSA-N 381.501 4.717 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2oc3ccc(C)cc3c2C)N2CCCC2)cc1 6747317 DCYVCVYXPFXCKT-OAQYLSRUSA-N 392.499 4.625 0 40 GJAB c1ccc(Cn2c(SCc3nc(-c4cccs4)no3)nnc2C2CC2)cc1 7218605 NYKVURDLHSPDEX-UHFFFAOYSA-N 395.513 4.608 0 40 GJAB COc1ccc(CNCc2ccc(OCc3cccc(C)c3)c(OC)c2)cc1 7538565 SGDBJISZKCOTQL-UHFFFAOYSA-N 377.484 4.881 0 40 GJAB C[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccc(-n2ccnc2)cc1 8394397 QWIGUPWSEOMKII-GOSISDBHSA-N 385.467 4.942 0 40 GJAB CCCN(CCC)C(=O)CSc1nnc2cc(C)c3cc(C)cc(C)c3n12 8614968 OWCPCOFXWAUHIL-UHFFFAOYSA-N 384.549 4.548 0 40 GJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 9063159 MYONCTUQBBNJCD-UHFFFAOYSA-N 376.422 4.865 0 40 GJAB C[C@H](c1ccc(F)cc1)N(C)C(=O)NCc1ccc(CN2CCCCC2)cc1 9514905 XXHHEMZAYLIIMV-GOSISDBHSA-N 383.511 4.714 0 40 GJAB COc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(-c2csc(C)n2)cc1 9951758 HBSWAXAYKAWHEW-LSDHHAIUSA-N 395.528 4.805 0 40 GJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OC1(CCCC1)O2 11917888 HZUUZTJUTFORBQ-UHFFFAOYSA-N 377.362 4.928 0 40 GJAB CCc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 12791058 CRCWSMCEYMSYQP-HDICACEKSA-N 394.515 4.670 0 40 GJAB COc1ccccc1NC(=O)c1cc(Br)c(Br)s1 12794894 JXNVHJHNNPPTPC-UHFFFAOYSA-N 391.084 4.534 0 40 GJAB CCOc1cc2c(cc1CN1CCC(c3nc4ccccc4o3)CC1)O[C@H](C)C2 12872618 FTGPBUDOFFUUKQ-MRXNPFEDSA-N 392.499 4.930 0 40 GJAB O=C(Nc1nc(CN2CCCC2)cs1)c1cc2c(s1)-c1ccccc1CC2 12935571 SUNDLMFXWMUYCJ-UHFFFAOYSA-N 395.553 4.818 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 13997868 GZXZPKLCLMHZDI-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CC(C)c1n[nH]c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1 14016947 WKIAQKNJXFYVSA-VHSXEESVSA-N 387.336 4.593 0 40 GJAB COc1ccc(-c2nc(CNC(=O)c3oc4ccccc4c3C)cs2)cc1 15832774 AWVOKUJMTRNQQT-UHFFFAOYSA-N 378.453 4.803 0 40 GJAB O=C(CN1CCCc2ccccc21)N1CCc2sccc2[C@@H]1c1cccs1 22056844 DVOLGRPXZYTDCC-JOCHJYFZSA-N 394.565 4.737 0 40 GJAB CCCCc1ccc(NC(=O)c2cn(C)c3ccc(OCC)cc3c2=O)cc1 22237355 YVYRPYHAIDWQPV-UHFFFAOYSA-N 378.472 4.532 0 40 GJAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)NC1CCCCC1 22507593 QYACIRCSQDOZBV-UHFFFAOYSA-N 377.488 4.620 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 23472367 FMSNIYPDFSURFU-UHFFFAOYSA-N 385.423 4.896 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1oc2ccc(OC)cc2c1C 24218228 JEXONCRJKIZKJZ-CYBMUJFWSA-N 380.444 4.530 0 40 GJAB O=C(Cc1ccc(-n2cccc2)cc1)N(Cc1ccco1)Cc1cccs1 24463096 NOVJFNFAHBGDSZ-UHFFFAOYSA-N 376.481 4.903 0 40 GJAB Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CCc4sccc4C3)n2)cc1 28174389 NNMWFDCRADZXRT-AWEZNQCLSA-N 383.542 4.565 0 40 GJAB O=C(Nc1cccc(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1ccccc1 28527528 FQPJWSUSJJHXKX-UHFFFAOYSA-N 395.894 4.897 0 40 GJAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1cccc(Br)c1 28574014 PRMQERDXRGSIHE-UHFFFAOYSA-N 376.641 4.541 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 30943705 UNWOBXVDRSACRZ-RXVVDRJESA-N 384.951 4.690 0 40 GJAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC(c2ccc(O)cc2)CC1 40058987 KSQYLEZVWPEWFD-UHFFFAOYSA-N 399.288 4.656 0 40 GJAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)Nc1ccccc1Cl 57486599 BAESBCDVLMUMMT-UHFFFAOYSA-N 396.809 4.636 0 40 GJAB C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1cccn1Cc1ccccc1F 57739988 AFPHXFYNMSQOMW-LJQANCHMSA-N 395.497 4.521 0 40 GJAB CC(=O)N1CCCc2cc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)ccc21 58161613 NCTDIHLNXYZVKO-WEVVVXLNSA-N 389.282 4.944 0 40 GJAB O=C1C[C@@H](c2ccccc2)N1CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 60112572 DERKASQXJSESQJ-IBGZPJMESA-N 375.299 4.889 0 40 GJAB COc1ccc2oc(/C=C/C(=O)Nc3ccc(C(=O)OC(C)C)cc3)cc2c1 67339617 MVVRALMSVIGEMI-PKNBQFBNSA-N 379.412 4.659 0 40 GJAB O=C(N[C@H](c1ccccc1)c1cccs1)c1ccc(-c2ccccc2)[nH]c1=O 70005803 IXKZCTKUACMIAB-OAQYLSRUSA-N 386.476 4.623 0 40 GJAB C[C@H](NC(=O)CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 89905539 OVPSVLAJFOJCIS-UONOGXRCSA-N 393.314 4.828 0 40 GJAB Cc1cccc(N(C)C(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)n1 95960337 UGXMPQQWEZDMRF-UHFFFAOYSA-N 399.903 4.942 0 40 GJAB C[C@]12CC[C@H]3c4ccc(OCc5ccc(F)cc5)cc4CC[C@H]3[C@H]1C[C@@H](O)[C@@H]2O 105365893 GWXDJKCRYNAAKC-GSXXTENTSA-N 396.502 4.593 0 40 GJAB O=C1S/C(=C\c2cc(Cl)ccc2O)C(=O)N1Cc1ccc(Cl)cc1 106685986 TVAXGUAZHIOVBE-NVNXTCNLSA-N 380.252 4.936 0 40 GJAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCS[C@@H](c2ccco2)CC1 219369750 LGYKQWQBTWGQSQ-OAQYLSRUSA-N 391.492 4.831 0 40 GJAB COc1cc(C)c(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1C(C)C 222633015 WTDXKBMQFAOWCB-UHFFFAOYSA-N 395.952 4.692 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C 222664566 TUHWSFLSWFFVIK-INIZCTEOSA-N 375.534 4.649 0 40 GJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(F)ccc3OC)ccc21 223693965 MFBHNDZVMNXQRM-UHFFFAOYSA-N 398.459 4.763 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)CC(C)(C)O2 225310878 CYEHVXYOOCBGGF-FQEVSTJZSA-N 397.515 4.924 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1 225496069 QVJZQWFUKNBTTL-NZQKXSOJSA-N 394.559 4.650 0 40 GJAB CC1(C)Oc2ccc(OCc3ccccc3)cc2[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 257249530 JIUHZQGDBRYPMQ-KPLVRAHFSA-N 382.456 4.748 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1C 408619989 FVYZQYPABKYLOX-UHFFFAOYSA-N 388.467 4.502 0 40 GJAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(C)cc2)cc1 408696834 CJUIFCIHKGHAGK-UHFFFAOYSA-N 398.466 4.894 0 40 GJAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(C)C)cc1 408990941 PDEYCHMHOPHYGF-OAQYLSRUSA-N 393.487 4.587 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)N[C@@H]1CCO[C@H](c2cccs2)C1 653214697 SQFNILSADFXOFT-HIFRSBDPSA-N 385.316 4.774 0 40 GJAB Cc1ccccc1C1=NO[C@@H](C(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)C1 1540500626 MHOBLCBUQGNRAQ-HSZRJFAPSA-N 392.543 4.761 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)C2(c3ccccc3)CC2)CN1c1cccc(F)c1 1615121143 MTJDIJSXSNJOEP-XMMPIXPASA-N 392.518 4.907 0 40 GJAB Cc1cccc(CC(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c1 1615160275 YRGMBNKGKPTSTC-KNQAVFIVSA-N 380.507 4.583 0 40 GJAB Cc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccc(Cl)cc3)c2C)cc1 639195 UJCPQNBTUDSUTK-UHFFFAOYSA-N 392.933 4.850 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 683101 NXQICUDRWJXQMH-HNNXBMFYSA-N 379.843 4.977 0 40 GJAB COC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1CCCC2 729806 XNNNWSNTMUDFTR-UHFFFAOYSA-N 387.501 4.554 0 40 GJAB Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c1nnc(SCCC(C)C)n21 985193 UXORJWBDPSRUDG-UHFFFAOYSA-N 398.557 4.850 0 40 GJAB O=C(O)[C@@H](C(=O)c1ccccc1)[C@H](c1ccccc1)c1nccc2ccccc12 1718226 CAMIDTHISYSANX-FCHUYYIVSA-N 381.431 4.950 0 40 GJAB Cc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)cc1 2410227 TVPXKYZSSDDLMJ-UHFFFAOYSA-N 375.497 4.942 0 40 GJAB Cc1sc2nc(S[C@H]3CCCCC3=O)n(-c3ccccc3)c(=O)c2c1C 3339202 JDXLZHLAKDMUII-INIZCTEOSA-N 384.526 4.668 0 40 GJAB COc1cccc2cc(-c3nnc(Nc4ccccc4Cl)s3)c(=O)oc12 4592712 PDCOUEBUXVQNTB-UHFFFAOYSA-N 385.832 4.717 0 40 GJAB COc1ccc(C)cc1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 4909624 JOUBYWBKUINHQD-UHFFFAOYSA-N 399.922 4.883 0 40 GJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)Cc1ccc(Cl)cc1 4973319 RQYBASIZIKMSTE-UHFFFAOYSA-N 393.830 4.733 0 40 GJAB Cc1ccc(C)c2sc(N(CCN(C)C)C(=O)CSc3ccccc3)nc12 5239667 RONQWCIIOIOTCL-UHFFFAOYSA-N 399.585 4.600 0 40 GJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(OC)cc2)cc1 5256215 GEMSEHSMUZPRKN-JOCHJYFZSA-N 391.471 4.533 0 40 GJAB CC(C)(CC(=O)Nc1ccc(F)cc1F)CC(=O)Nc1ccc(F)cc1F 5632625 XQUPIYUNYHIPPF-UHFFFAOYSA-N 382.357 4.627 0 40 GJAB Cc1ccc(-c2csc3ncnc(NS(=O)(=O)Cc4ccccc4)c23)cc1 6919675 WWDWBHPFQVYQGT-UHFFFAOYSA-N 395.509 4.609 0 40 GJAB CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)O 6959502 UAXQEXYSVPVYQR-ZVBGSRNCSA-N 382.243 4.915 0 40 GJAB O=C(c1cnccn1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 7988600 KYZDCQOCXHYQPQ-UHFFFAOYSA-N 390.443 4.586 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1-c1ncc(-c2ccccc2)o1 8007148 SWQHZDBBQPCAQU-UHFFFAOYSA-N 384.391 4.990 0 40 GJAB O=C(Cn1c(NCc2ccccc2)nc2ccccc21)Nc1ccc(F)c(F)c1 8012971 BIBSXKBZJPGJAX-UHFFFAOYSA-N 392.409 4.565 0 40 GJAB CCc1ccc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(C)=C2C(=O)OC)cc1 8083560 UPMHGEHXMWLBHU-QNGOZBTKSA-N 375.468 4.689 0 40 GJAB O=C1CCCN1c1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1 8325076 VBOUDAXOKVHXNW-UHFFFAOYSA-N 382.423 4.611 0 40 GJAB C[C@H]1c2cccn2CCN1CC(=O)Nc1ccccc1Sc1ccccc1 8327664 XVFZFJMAIWQJLS-KRWDZBQOSA-N 377.513 4.655 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)NC(c1ccccc1)c1ccccc1 8480977 RGTQNZKTJWWSCN-FQEVSTJZSA-N 375.468 4.758 0 40 GJAB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]2)cc1 8770268 OYJLOHLQCHGDLU-UHFFFAOYSA-N 387.892 4.778 0 40 GJAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccc(F)c(F)c1F 9219677 DBFKOWASTSCGRT-UHFFFAOYSA-N 395.384 4.683 0 40 GJAB Fc1ccc(OCc2nc(CSc3nncn3-c3ccccc3)cs2)cc1 9606552 DQXNWFBMHPTKEY-UHFFFAOYSA-N 398.488 4.734 0 40 GJAB Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(C(C)C)cc2)cc1C 11647468 NAUNKMKKBFCRDW-UHFFFAOYSA-N 380.517 4.738 0 40 GJAB Cn1nc(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c2cccnc21 12186676 KJVBCCLSSRODFK-UHFFFAOYSA-N 375.303 4.655 0 40 GJAB C[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc(-n2cncn2)cc1 12783429 JZKTXDDWAANMSB-JWGRYVKWSA-N 394.478 4.685 0 40 GJAB O=C(Nc1ccccc1N1CCCC1=O)c1csc(-c2ccc(Cl)cc2)n1 12876982 HPPMQTYKTMDITA-UHFFFAOYSA-N 397.887 4.843 0 40 GJAB Cc1ccc([C@H](NC(=O)NCc2ccc(CN3CCCC3)cc2)C2CC2)cc1 12943281 SIUMMURTSZZOSZ-QHCPKHFHSA-N 377.532 4.541 0 40 GJAB FC(F)(F)c1ccc(NC(=S)N2CCCC[C@H]2CCN2CCCC2)cc1 13692167 UYVRBTQPLWHTIX-KRWDZBQOSA-N 385.499 4.743 0 40 GJAB Cc1c(Cl)c(-c2ccc3c(c2)CCCN3S(C)(=O)=O)nc2ccccc12 15453986 JHGCBBHKCAJTPZ-UHFFFAOYSA-N 386.904 4.576 0 40 GJAB COc1ccc(Cn2c(SCc3ccccc3)nc3ccccc3c2=O)cc1 21464860 YVZYCFVLVUXOGU-UHFFFAOYSA-N 388.492 4.746 0 40 GJAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(-c2ccc(F)cc2)o1 22289744 TXPIHLGJGZEJQL-UHFFFAOYSA-N 385.464 4.780 0 40 GJAB Cc1nc(CSc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)cs1 22461352 AWMAEWUILKKNGW-UHFFFAOYSA-N 398.509 4.767 0 40 GJAB c1ccc(-c2ccc(CNC[C@@H](c3cccs3)N3CCOCC3)cc2)cc1 23257852 CSJBUOKBANKBDO-QFIPXVFZSA-N 378.541 4.578 0 40 GJAB COc1ccc(-c2nc(CSc3ncc4ccccn34)cs2)cc1OC 26370991 UNCGZUYDRBPTGL-UHFFFAOYSA-N 383.498 4.767 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccco3)no2)cc1F 27744748 CTNWTFCAYILEEL-UHFFFAOYSA-N 380.375 4.818 0 40 GJAB Cc1cccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)c1 28292442 JGSSTABFCAPNDO-XMMPIXPASA-N 394.559 4.841 0 40 GJAB CN(Cc1c(F)cccc1Cl)C(=O)CCCc1nnc(-c2ccccc2)o1 32481936 VGCWFWNAXVBRLY-UHFFFAOYSA-N 387.842 4.510 0 40 GJAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1coc(Br)c1 32779946 UPZCQUCHXZPHIE-UHFFFAOYSA-N 388.246 4.899 0 40 GJAB Cc1cccc2c(=O)cc(CSCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c12 33063974 WZDJAGLIAUJBAI-UHFFFAOYSA-N 390.867 4.501 0 40 GJAB OC(c1ccc(C(F)(F)F)cc1)(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1 34370676 RGZNQYPHYOCBEI-INIZCTEOSA-N 389.339 4.712 0 40 GJAB COc1ccc2cc([C@H](C)C(=O)NCc3cn4cc(Cl)ccc4n3)ccc2c1 40050723 QICBGGVXJCHCPY-AWEZNQCLSA-N 393.874 4.569 0 40 GJAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc2cccnc2c1 40285545 JTSPTECOXVMCRW-HXUWFJFHSA-N 394.272 4.695 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1Cl 44842996 ADISKCCXYWLUHV-GFCCVEGCSA-N 393.892 4.645 0 40 GJAB CCCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(OC)cc1OC 49548717 NUWRFHXSUGBNCQ-UHFFFAOYSA-N 385.489 4.546 0 40 GJAB Cc1cnc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)s1 58160104 BZBKHZFRODWPTA-UHFFFAOYSA-N 393.262 4.638 0 40 GJAB Cc1ccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc34)n2)cc1 64949751 JIMOVGXMPIFMPM-UHFFFAOYSA-N 394.434 4.720 0 40 GJAB COc1ccc2c(c1)[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[C@@H]3CCCCO3)CC[C@@H]12 65743338 KBLHOUGMAXJFJU-UQNJOOKUSA-N 386.532 4.954 0 40 GJAB in-vitro CCc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)cc1 67257094 UVMMUUMBZKDBQF-UHFFFAOYSA-N 381.476 4.884 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(OCC)cc3)[nH]n2)cc1 72331551 CWGDPDVIVOKXEQ-UHFFFAOYSA-N 393.487 4.584 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72349586 LJAJJFSTIAPRJQ-IBGZPJMESA-N 392.449 4.976 0 40 GJAB c1ccc(Nc2cncc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n2)nc1 72376333 GYEHXNYYPGMDFM-NRFANRHFSA-N 382.471 4.501 0 40 GJAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N(Cc1cccc(Br)c1)C1CC1 89774406 KTSOJSVLVTZAGA-RTBURBONSA-N 388.280 4.883 0 40 GJAB CC[C@H](Nc1nc(-c2cccnc2)nc2c1CCC2)c1nc(-c2ccccc2)c[nH]1 95460555 CMVBVMFFZRESPA-IBGZPJMESA-N 396.498 4.981 0 40 GJAB O=C(N1CC=C(c2ccnc3[nH]ccc23)CC1)C1(c2cccc(Cl)c2)CC1 95464869 PDKRIVMRYBFIQQ-UHFFFAOYSA-N 377.875 4.564 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 223748837 QMXDRLHHTHFBID-RTWAWAEBSA-N 392.528 4.650 0 40 GJAB COc1cc(/C=C2/N=C(C)OC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408814708 HMOOBEOTKUAPAW-LZYBPNLTSA-N 392.238 4.897 0 40 GJAB CCOC(=O)C1=C(C)N=C(SCc2ccc(F)cc2)N[C@@H]1c1ccccc1 408985964 BNFTXNVSNAYZDA-LJQANCHMSA-N 384.476 4.597 0 40 GJAB CCN1C(=O)CCc2cc(NC(=O)N3CCc4ccccc4[C@H]3C(C)C)ccc21 680601239 RSPZCSYAWWZHSR-HSZRJFAPSA-N 391.515 4.773 0 40 GJAB Cc1cccc(CC(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 1615127619 SUAYWAHWNJVZEX-DEOSSOPVSA-N 380.507 4.727 0 40 GJAB O=C(Oc1cccc2ccccc12)c1ccccc1N1C(=O)c2ccccc2C1=O 991729 SRAOPWAEHRYPDR-UHFFFAOYSA-N 393.398 4.860 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCCC2)cc1 1178340 CXCGTJHSCVCEBB-NTCAYCPXSA-N 387.483 4.574 0 40 GJAB FC(F)(F)c1cc(C(F)(F)F)c2ccc3nnc(-c4ccccc4)n3c2n1 1392368 GHRWOOWATMATRL-UHFFFAOYSA-N 382.267 4.982 0 40 GJAB CC(C)CC(=O)NC(NC(=O)CC(C)C)c1ccc(OCc2ccccc2)cc1 2172465 PTQUKBMUTQLNFH-UHFFFAOYSA-N 396.531 4.589 0 40 GJAB COc1ccccc1[C@]1(CCN(Cc2ccco2)C(C)=O)CCO[C@@H](C(C)C)C1 4043686 KPOYUKJSTNRRRV-DNQXCXABSA-N 399.531 4.800 0 40 GJAB biogenic COCCCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1 4169376 KXXAKBCJIIXEGJ-UHFFFAOYSA-N 388.514 4.564 0 40 GJAB O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1coc2ccccc2c1=O 4200631 JNAQPBQINZFZJN-UHFFFAOYSA-N 392.461 4.775 0 40 GJAB OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2ccccc2F)CC1 4599917 LGVBQYJXKBNTBL-UHFFFAOYSA-N 375.487 4.974 0 40 GJAB Cc1ccc(-c2c(C)s/c(=N\c3ccc(OC(F)F)cc3)n2CCO)cc1 4614525 HVESYYHTBSCCFL-ATJXCDBQSA-N 390.455 4.660 0 40 GJAB CCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccoc1C 4860449 BRAVJNYCBPSGFB-UHFFFAOYSA-N 384.505 4.604 0 40 GJAB O=C(O[C@H](C(=O)NC1CCCCC1)c1ccc(C(F)(F)F)cc1)c1ccco1 4982354 PMUJUVJTSPVLOI-KRWDZBQOSA-N 395.377 4.645 0 40 GJAB COc1ccc([C@@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 5249128 GXJKWWDRJUFSCX-HSZRJFAPSA-N 399.425 4.974 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(Br)cc2)c(Br)c1 5927179 SFEMAFBHOMSRIN-UHFFFAOYSA-N 399.082 4.538 0 40 GJAB O=C1CCC[C@H]1Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 6831651 QHSOBTHANBNNAQ-QGZVFWFLSA-N 387.867 4.941 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(CN2CCC(C)CC2)cs1 6882179 GCAVSQBRHLASAO-UHFFFAOYSA-N 396.516 4.591 0 40 GJAB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(O)cc1 6961751 CTRBCIQQZKVKME-NNSJDREZSA-N 397.544 4.889 0 40 GJAB COc1ccc(-c2nc(NS(=O)(=O)/C=C/c3ccccc3)sc2C)cc1 8195601 IIYCBXJUISANQZ-OUKQBFOZSA-N 386.498 4.540 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(O)=Nc2nc3ccccc3n21 9089272 OHORXDLGMMDCBJ-AWEZNQCLSA-N 375.215 4.515 0 40 GJAB O=C1CCC[C@H]1Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 12635449 OMTXARYPNRKILD-GOSISDBHSA-N 383.904 4.725 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(Br)cc1 12651411 PLZGWAGPONFBSO-UHFFFAOYSA-N 377.257 4.831 0 40 GJAB O=C(CCn1ccc2ccc(Br)cc21)Nc1ccc2[nH]ccc2c1 12664569 QJJSOPFVEVTLIO-UHFFFAOYSA-N 382.261 4.914 0 40 GJAB biogenic Cc1cc(NC(=O)c2ccccc2OC[C@H]2CCCO2)ccc1Br 12748786 OQVNODFETROGIT-OAHLLOKOSA-N 390.277 4.568 0 40 GJAB Cc1cc(C)c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c(C)c1 12773982 GDGWORNVDIKEQZ-MDZDMXLPSA-N 376.500 4.502 0 40 GJAB O=C(N1CCN(c2cccnc2)CC1)N1c2ccccc2Sc2ccccc21 13574557 NWSLVSDLDQTJCY-UHFFFAOYSA-N 388.496 4.627 0 40 GJAB O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CC[C@@H](c3ccccc3)C[C@@H]12 16957225 RCHDAULJZFKSGX-DYESRHJHSA-N 393.914 4.957 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2ccncc2)nc2ccccc12 17295613 ITBGVAOKFFAONE-UHFFFAOYSA-N 392.462 4.751 0 40 GJAB biogenic CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)ncn3C2CC2)cc1 19714297 YWNGFNLYHZAMAG-NRFANRHFSA-N 375.472 4.747 0 40 GJAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 19816411 HWEMKOLXADBXGA-UHFFFAOYSA-N 385.851 4.668 0 40 GJAB c1csc([C@H](c2nnnn2C2CCCC2)N2CCCC3(CCCCC3)C2)c1 20098404 CZUOQFOYBRXZRA-LJQANCHMSA-N 385.581 4.985 0 40 GJAB C[C@H]1CCC[C@H](N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 20569776 UWADVROSAKPYEC-ZTCOLXNVSA-N 382.592 4.758 0 40 GJAB CCCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1OC 22763388 ICXZVROMPQXHRB-BVPRHBRVSA-N 385.426 4.735 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)NCCc2csc(-c3ccccc3)n2)cc1 27993934 IVCIPHXDLDYZSG-UHFFFAOYSA-N 394.540 4.845 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccnn2Cc2cccs2)c1 28404784 QDVNGXIBJCUKDJ-MRXNPFEDSA-N 383.517 4.831 0 40 GJAB Cc1ccc(-c2csc(NC(=O)Cc3c(C)nn(CC(C)C)c3C)n2)s1 32768585 JFONFRGIFSZHCL-UHFFFAOYSA-N 388.562 4.831 0 40 GJAB CCOc1ccc(C(C)=O)cc1CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C 32836209 HMBRPWXSKXDYGU-HSZRJFAPSA-N 383.488 4.546 0 40 GJAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc2c(c1)COC2 33491890 CGPDLDKRBIZILW-OVCLIPMQSA-N 381.840 4.929 0 40 GJAB CCc1cccc(CC)c1NC(=O)/C(C#N)=C\C=C\c1ccccc1[N+](=O)[O-] 33707852 CUIIVHPPEOTIDQ-SCFVIABFSA-N 375.428 4.821 0 40 GJAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832902 YJGAPRNRIBZISL-SFHVURJKSA-N 391.342 4.864 0 40 GJAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(Cl)c1 41076927 HHRRDOAQQFDSGZ-UHFFFAOYSA-N 383.879 4.852 0 40 GJAB Cc1cc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2nccn2C)ccc1C(C)C 44369917 CBCDABIQNHXJFT-GCJKJVERSA-N 391.515 4.525 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccc2ncsc2c1 49509602 BIGDRSUOFLKVAL-UHFFFAOYSA-N 391.496 4.628 0 40 GJAB CCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3C(F)(F)F)o2)cc1 56906027 YJOVQXVSNNVVHT-UHFFFAOYSA-N 392.337 4.798 0 40 GJAB COc1ccccc1[C@@H](C)NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 57688696 OTIGPPWIOPFFHT-CHWSQXEVSA-N 381.303 4.530 0 40 GJAB O=C(NCc1ccccc1-n1cccn1)c1ccc(C2SCCCS2)cc1 58429538 BAXSPVFKVVENET-UHFFFAOYSA-N 395.553 4.671 0 40 GJAB CC1=NN(c2ccc(C(=O)Nc3cccc(C(=O)c4ccccc4)c3)cc2)CC1 65588810 IQHORAYEIRKBFS-UHFFFAOYSA-N 383.451 4.756 0 40 GJAB CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)cc1 67295391 OZCNXBSHKPEBTJ-BZZOAKBMSA-N 388.423 4.587 0 40 GJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c(F)c1 67296130 KQYDDVFUATUTLE-NMWGTECJSA-N 379.416 4.822 0 40 GJAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCN(C(=O)C(C)C)C2)n1 72374737 IANLEXLOPJHZEP-GOSISDBHSA-N 390.449 4.972 0 40 GJAB O=C([C@H]1C[C@@H]1c1cccc(F)c1)N(Cc1cccc(Br)c1)C1CC1 89774407 KTSOJSVLVTZAGA-MOPGFXCFSA-N 388.280 4.883 0 40 GJAB O=C(COc1ccc2ccccc2c1)NCc1ccc(Oc2ccccc2)nc1 89845836 QKAMHZZHTJZRPM-UHFFFAOYSA-N 384.435 4.722 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(Cc4nc(-c5ccsc5)no4)CC3)c2c1 95351780 NBAYQMFXVVLDHN-UHFFFAOYSA-N 392.484 4.577 0 40 GJAB Fc1ccc(C2=C[C@H](c3ccc(F)c(F)c3)n3nc(C(F)(F)F)nc3N2)cc1 102351513 VLVXOOUELOIUBL-OAHLLOKOSA-N 396.294 4.770 0 40 GJAB CC(C)(C)OC(=O)N1CCC(=C(Br)c2ccc(C(=O)O)cc2)CC1 113908903 ZXAPQWICZVMRRE-UHFFFAOYSA-N 396.281 4.522 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccco1 222599204 AEKLGYZTCBXENB-JHVJFLLYSA-N 392.528 4.731 0 40 GJAB CSc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1 223734319 NSRITDBHHVVMGA-UHFFFAOYSA-N 385.510 4.679 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COC(C)C 224718291 NDAPKQNOJGTGOJ-UHFFFAOYSA-N 377.868 4.925 0 40 GJAB O=C(NCCc1ccccc1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225265361 WLGTUBKYNKHAPH-UHFFFAOYSA-N 375.859 4.856 0 40 GJAB O=C(Nc1sc2c(c1C(=O)Nc1cccnc1)CCCC2)c1ccccc1 409119633 PWWCTMSUFYEMFD-UHFFFAOYSA-N 377.469 4.527 0 40 GJAB O=C1CCC[C@H](c2cccc(NCc3ccc(Oc4ccc(F)cc4)nc3)c2)N1 1663291325 BDWGXZPHFMWARW-OAQYLSRUSA-N 391.446 4.966 0 40 GJAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)CC(=O)N1 708815 CTYXBMYAWBRVKS-AWEZNQCLSA-N 382.287 4.747 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 969443 LHWWBTGRQYBZDS-NSHDSACASA-N 397.689 4.947 0 40 GJAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(Br)cc1 1242960 INRMEEVCMRUEFY-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB Cn1c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2334034 DUOICAFYBALCKD-UHFFFAOYSA-N 378.815 4.704 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1ccc(Cl)cc1Cl 3313337 YWQURYXSBIQJPN-UHFFFAOYSA-N 376.239 4.833 0 40 GJAB Cc1sc2ncnc(OCC(=O)Nc3cc(Cl)ccc3Cl)c2c1C 3340626 BSSPUBIZTYDCRZ-UHFFFAOYSA-N 382.272 4.632 0 40 GJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1C(F)(F)F 3350930 LIHFFGXSTYXILM-UHFFFAOYSA-N 399.368 4.954 0 40 GJAB COCCn1c(SCc2ccccc2F)nnc1-c1c[nH]c2ccccc12 4138687 SEBXSSOHZGBPAT-UHFFFAOYSA-N 382.464 4.504 0 40 GJAB Cc1ccccc1NC(=O)CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21 4162780 NXQKUPGWAZXKRW-HXUWFJFHSA-N 392.480 4.797 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 4293083 WMUMZOAFCDOTRW-FJQLOQHRSA-N 390.564 4.686 0 40 GJAB CC(C)N1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 4514414 MUMKPGHRPUAFAS-XNTDXEJSSA-N 380.391 4.941 0 40 GJAB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1 4662928 VCXYRLFDKIDAGH-UHFFFAOYSA-N 391.427 4.761 0 40 GJAB CCOc1ccc(-c2cnc(NCc3ccc(Br)cc3)n2C)cc1 4679001 LJGXZDMOECWJPY-UHFFFAOYSA-N 386.293 4.860 0 40 GJAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 5054448 CXEYNKDPUJDOHJ-FQEVSTJZSA-N 381.479 4.914 0 40 GJAB C=C=Cn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 5234772 LMRWWLQQWMPCML-CQSZACIVSA-N 383.373 4.831 0 40 GJAB Cc1cccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)c1 5265193 YGDHMNHSULJQBM-UHFFFAOYSA-N 377.444 4.986 0 40 GJAB Fc1ccccc1-c1nnc(SCc2cc(Cl)c3c(c2)OCCO3)o1 5316272 KXYDZFPEWKAXFQ-UHFFFAOYSA-N 378.812 4.593 0 40 GJAB O=C1NC(c2ccncc2)=C(c2nc3ccccc3s2)[C@H](c2ccccc2)N1 5572282 IMURLTYUVVVYMS-IBGZPJMESA-N 384.464 4.614 0 40 GJAB Cc1ccccc1Nc1nnc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)s1 6566403 JUSAMSGKNSILIS-XNRPHZJLSA-N 390.578 4.623 0 40 GJAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCCCC1 6652685 DLEQPBRDCIFECK-UHFFFAOYSA-N 379.500 4.591 0 40 GJAB O=c1c2ccc(Cl)cc2nc(SC[C@@H]2CCCCO2)n1C1CCCC1 6787301 IKQQOOGNDUSAJR-HNNXBMFYSA-N 378.925 4.826 0 40 GJAB CCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N/c1ccc(OC)cc1 6954400 UVVNHTBIBIRDLF-LLPDMMGZSA-N 397.456 4.536 0 40 GJAB O=c1[nH]c(CN2CC[C@H]3CCCC[C@@H]3C2)nc2sc(-c3ccccc3)cc12 7285895 JIGRSGHUWHGBCZ-NVXWUHKLSA-N 379.529 4.664 0 40 GJAB CCN(CC)[C@@H](CNC(=O)CSc1ccc2ccccc2c1)c1ccco1 8404667 PSFPTZOTPCQILQ-FQEVSTJZSA-N 382.529 4.724 0 40 GJAB Cc1ccnc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4Cl)nc32)c1 9060894 ZRNASKJZVXUKCG-UHFFFAOYSA-N 388.862 4.709 0 40 GJAB O=C(CSc1nnc(-c2ccco2)o1)c1ccc([C@H]2CC2(Cl)Cl)cc1 9145983 QFUCAFHMPRNVGM-GFCCVEGCSA-N 395.267 4.966 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1C 12111653 DCZPITHQXURCBH-MRXNPFEDSA-N 395.459 4.547 0 40 GJAB CC(=O)C1(c2ccccc2)CCN(C(=O)Cc2coc3cc(C)c(C)cc23)CC1 12205688 JQTQRKJTJCCBAU-UHFFFAOYSA-N 389.495 4.742 0 40 GJAB Cc1occc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 12372512 KQDKUQVZABNEAJ-JOCHJYFZSA-N 394.902 4.789 0 40 GJAB Cc1ccc2c(c1)CCCN2Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1 12651006 WNZSHRPVUIMBDK-UHFFFAOYSA-N 393.537 4.974 0 40 GJAB CSCc1c(C(=O)N[C@H](c2ccccc2)c2nccn2C)oc2ccccc12 12746717 KCBGODWPZFZISN-LJQANCHMSA-N 391.496 4.549 0 40 GJAB CC(C)[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 12919875 LVRMASJVGDJBHE-JTSKRJEESA-N 382.504 4.948 0 40 GJAB Cc1[nH]c(SCC(=O)Nc2cccc3ncccc23)nc1Cc1ccccc1 14044941 VNSKVSWUBGPETA-UHFFFAOYSA-N 388.496 4.588 0 40 GJAB O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)c1ccccc1Cl 15093829 GIEMEZOPGKLMKM-UHFFFAOYSA-N 395.233 4.929 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(OC)c(OC)c2)nc2ccc(Cl)cc12 15829193 FRQJIBLYMMZADA-UHFFFAOYSA-N 386.835 4.556 0 40 GJAB Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2csc(C)c2C)c1C 19558236 ULHULVIMEBTKJB-GOSISDBHSA-N 398.532 4.738 0 40 GJAB Cc1ccc(CN2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCC5)cc1 20392462 ABSBPZQMJCCKIH-UHFFFAOYSA-N 381.859 4.596 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20485315 OHWFUOUGBIUOSS-IBGZPJMESA-N 380.532 4.808 0 40 GJAB COc1ccccc1NC1(c2nnnn2-c2c(C)cccc2C)CCC(C)CC1 22437209 SFNCYAUYGCBHKM-UHFFFAOYSA-N 391.519 4.805 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 25436321 QRLRWKZFEAJWAR-JXMROGBWSA-N 396.534 4.754 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 31142734 VEEKHGPHNUUTLF-UHFFFAOYSA-N 375.428 4.736 0 40 GJAB Cc1ccc(-n2ccnc2SCC(=O)NC[C@H](C)c2ccccc2)c(C)c1 32957395 DJEKWTZGIUEUJI-SFHVURJKSA-N 379.529 4.501 0 40 GJAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H](C(F)(F)F)C1 40073885 ZWNLLGMYOVFVFC-QAPCUYQASA-N 377.406 4.922 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)c1 40103918 OFADSCSAMHHYDS-HXUWFJFHSA-N 384.476 4.862 0 40 GJAB O=C(N[C@H](Cn1ccnc1)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 40146305 WABAJQXSFGKIMB-QGZVFWFLSA-N 393.796 4.727 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(N(C)c2ccccc2)nc1 44948666 SZERUPJCXKQRFX-UHFFFAOYSA-N 388.496 4.731 0 40 GJAB C[C@H](NC(=O)c1csc(-c2ncccn2)n1)c1cc(F)c(Cl)cc1Cl 54059850 ZMXOBOFGUAYPGE-QMMMGPOBSA-N 397.262 4.537 0 40 GJAB Cc1ccc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1 57486571 VXSHEQFDDLKVDV-UHFFFAOYSA-N 390.418 4.600 0 40 GJAB Cn1ccnc1-c1nc(N[C@H]2CCc3ccccc32)ncc1-c1ccccc1F 57775433 WYAUEAYJHFWTEI-FQEVSTJZSA-N 385.446 4.783 0 40 GJAB CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccc(Oc2cccnc2)cc1 66511786 NAGPHARYIUDMLO-QFIPXVFZSA-N 388.467 4.866 0 40 GJAB O=C(c1ccc(Oc2cccnc2)cc1)N1CCC(c2c[nH]c3ncccc23)CC1 71828071 WLHTWJQSBYAWNB-UHFFFAOYSA-N 398.466 4.770 0 40 GJAB O=C(OCc1ccccc1Cl)C1CCN(Cc2ccccc2Cl)CC1 72202922 JZCQTAYRPMVYIQ-UHFFFAOYSA-N 378.299 4.949 0 40 GJAB Cc1nc(-n2cccc2)sc1C(=O)NCc1ccccc1-c1ccsc1 96122940 MTDWZGPPPNIWEF-UHFFFAOYSA-N 379.510 4.901 0 40 GJAB CCOC(=O)c1cc(Br)c(OCc2ccccc2F)c(OCC)c1 216831147 LECZZYYPQVSRAQ-UHFFFAOYSA-N 397.240 4.743 0 40 GJAB Cc1cccc(CSCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 222738204 DBLJJWIDGZVXST-UHFFFAOYSA-N 388.964 4.539 0 40 GJAB COc1ccc(-c2nnsc2C(=O)OCc2ccc(Cl)cc2Cl)cc1 223838778 LHXUSLUXMXZFMA-UHFFFAOYSA-N 395.267 4.878 0 40 GJAB Cc1cc(NCCNC(=S)Nc2ccc3sncc3c2)c2ccccc2n1 225214550 SCPXNODRYZPFGP-UHFFFAOYSA-N 393.541 4.551 0 40 GJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(Cl)cc1Cl 225509909 SYSSEYZRGNCLHZ-CYBMUJFWSA-N 378.299 4.956 0 40 GJAB CCCOc1c(C)cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C 225575238 UNBDJWDVGSVVAZ-UHFFFAOYSA-N 385.479 4.918 0 40 GJAB COc1ccc(Cl)cc1C(=O)/N=c1\sc(C)c(-c2ccc(C)cc2)n1C 409207341 VNICLNXRZWTMON-XDOYNYLZSA-N 386.904 4.774 0 40 GJAB O=C(CCC(=O)c1ccc(F)cc1)Nc1nc2c(s1)CCc1ccccc1-2 409207651 ZIUMZNMWJGFGQN-UHFFFAOYSA-N 380.444 4.649 0 40 GJAB CCOc1c(Cl)cc(NC(=O)N2Cc3cccc(OC)c3C2)cc1Cl 626504956 FKHAKGPNDJFIMM-UHFFFAOYSA-N 381.259 4.948 0 40 GJAB Cc1cc(NC(=O)c2cccc(Br)c2)nn1-c1ccccc1Cl 1127622016 MOXZRFHNRSAJAO-UHFFFAOYSA-N 390.668 4.849 0 40 GJAB O=c1cc(CN(Cc2c(Cl)cccc2Cl)C2CC2)c2ccc(O)cc2o1 1645524043 AHYUTQBPJWWBLK-UHFFFAOYSA-N 390.266 4.970 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@@H](O)c1ccc(-c2cccs2)o1 1889302523 KUXRLBHSCXAHEX-GOSISDBHSA-N 377.465 4.554 0 40 GJAB COc1ccccc1[C@H]1N(c2ccc(Cl)c(Cl)c2)C(=O)N2CCCN12 638036 SJOMDJCGZOMZQL-QGZVFWFLSA-N 378.259 4.564 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1cccc(COc2ccccc2Cl)c1 662743 FKWLZMUXZBBGAF-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB aggregator C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 713033 NHIQMKBOJHQXPS-OAHLLOKOSA-N 394.858 4.998 0 40 GJAB Cc1csc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)n1 801933 QOTVVODYGUTXAP-UHFFFAOYSA-N 381.935 4.959 0 40 GJAB CCC(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 976176 UTDZHPNGOWUPQX-UHFFFAOYSA-N 399.903 4.985 0 40 GJAB O=C(COc1ccc(Br)cc1Cl)N[C@H]1CCCc2ccccc21 3444988 IGCWABJQBYYNHW-INIZCTEOSA-N 394.696 4.675 0 40 GJAB Cc1ccc(C)c(C(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)c1 4359560 BJUXRDYPHHRLDF-UHFFFAOYSA-N 381.545 4.820 0 40 GJAB CCN(CC)Cc1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1 4682387 MXRKLGDBADHUBJ-UHFFFAOYSA-N 391.309 4.552 0 40 GJAB CCOc1ccccc1CN1CCC(Nc2ccc(Br)cc2)CC1 4749421 YTKKWRHTTXEOBK-UHFFFAOYSA-N 389.337 4.924 0 40 GJAB CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1 4872508 DBHFERLVTUHYMQ-KRWDZBQOSA-N 384.442 4.755 0 40 GJAB COc1ccc(Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cc1F 5352147 XWVKOGVJSVNINL-UHFFFAOYSA-N 386.473 4.691 0 40 GJAB Cc1ccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 6009208 UKFZRHVJMLZHMW-RUZDIDTESA-N 390.571 4.688 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(Br)c1 7057121 ZOJPCLMNFFCONU-UHFFFAOYSA-N 394.212 4.577 0 40 GJAB O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccc(F)cc1 7544979 CBVYSBCDJOBVHT-LJQANCHMSA-N 399.469 4.939 0 40 GJAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-n1c(=O)cnc2ccccc21 7738371 XLLLDZYZIKJFRV-UHFFFAOYSA-N 399.837 4.548 0 40 GJAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cccc(Cl)c1Cl 7927267 DMGSUOSZNMFJLV-ZDUSSCGKSA-N 399.343 4.675 0 40 GJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cccc(Cl)c2C)CC1=O 7928208 HDNMCBBTNUPXRF-KRWDZBQOSA-N 384.907 4.765 0 40 GJAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 7929283 HTICCLBIKHDALV-OAHLLOKOSA-N 385.891 4.904 0 40 GJAB O=C(c1ccc(Cl)cc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 7975889 HOGXYRAQEULJCE-UHFFFAOYSA-N 388.254 4.848 0 40 GJAB O=C(COc1ccccc1Cc1ccccc1)NCCOc1ccc(Cl)cc1 8279926 ZFEWJDRMFBZEHN-UHFFFAOYSA-N 395.886 4.505 0 40 GJAB CC(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1 9058176 KZDYQCSOINYFAL-UHFFFAOYSA-N 383.835 4.525 0 40 GJAB COc1ccc(Cl)cc1Nc1ncnc2c1cnn2-c1cccc(Cl)c1 10386868 YALOPZYCAFTNIH-UHFFFAOYSA-N 386.242 4.875 0 40 GJAB COc1ccc2nc(-c3ccc(C)c(NC(=O)CC4CCCCC4)c3)cn2n1 12441188 FMEBCAGTRKJEPE-UHFFFAOYSA-N 378.476 4.622 0 40 GJAB C[C@H]1c2ccsc2CCN1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 12553047 VKSABQUVIAQQOB-FXAWDEMLSA-N 379.525 4.774 0 40 GJAB COc1ccc2oc(-c3csc(NC(=O)c4ccc5c(c4)OCO5)n3)cc2c1 13006949 VNCUYAMKISZETE-UHFFFAOYSA-N 394.408 4.546 0 40 GJAB COc1ccc2[nH]c(=O)c(CNc3ccc(N4CCCCCC4)cc3)cc2c1 13563011 DLXGALRXDWEZRO-UHFFFAOYSA-N 377.488 4.529 0 40 GJAB CC(C)c1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(C(C)C)c1O 15414443 SUVMMINLZBWCLC-RTWAWAEBSA-N 392.499 4.809 0 40 GJAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 17959861 CXKPSMMIADRNEZ-QGZVFWFLSA-N 393.508 4.557 0 40 GJAB Cc1cccc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c34)C2)n1 19236215 ZEMAOSVRNHQPBI-CQSZACIVSA-N 390.409 4.633 0 40 GJAB CC[C@@H](NC(=O)c1cc(-c2cccnc2)c2cnccc2n1)c1ccc(F)cc1 19500425 NULKVWVETUUACI-HXUWFJFHSA-N 386.430 4.712 0 40 GJAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)CC2CCCCC2)n1 19558383 KISXXVKJVFWNIQ-LJQANCHMSA-N 382.508 4.691 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(OC(C)C)cc1 20460113 UTMATPZLZNHNDA-JOCHJYFZSA-N 383.532 4.997 0 40 GJAB Cc1cccc(NC(=O)Nc2ccc3nc(C)n(-c4ccccc4)c(=O)c3c2)c1C 22497510 OHTAKNUYHAEFFI-UHFFFAOYSA-N 398.466 4.955 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccccc2Cl)c1 22519978 TWUZNIFRDIVEKX-QGZVFWFLSA-N 375.852 4.621 0 40 GJAB Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(Cn4ccnc4)c3)s2)o1 25180615 QQUOUKQSRBTLKN-UHFFFAOYSA-N 378.457 4.517 0 40 GJAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1 27693098 WZGNCFGHCLFZIQ-UHFFFAOYSA-N 375.859 4.919 0 40 GJAB FC(F)(F)c1cccc(-c2noc(CCCN3CCc4sccc4C3)n2)c1 29455757 ZRIXONJFCXLHLB-UHFFFAOYSA-N 393.434 4.808 0 40 GJAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cc(=O)c2ccccc2o1 30392282 WOEAPRFPSGJTKE-UHFFFAOYSA-N 389.382 4.763 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 30848918 XRYZVXWQQONFNB-OAQYLSRUSA-N 398.478 4.638 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)CSCc2nc(-c3ccccc3C)no2)cc1 31423177 UMHULISJSZBVKZ-MRXNPFEDSA-N 395.528 4.718 0 40 GJAB Cc1ccc(Cn2nccc2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 32593751 FZLZOXFEJIWYQC-UHFFFAOYSA-N 383.879 4.528 0 40 GJAB C[C@@H](N[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 32759587 BKJUBXJOXMYEGH-OXQOHEQNSA-N 379.891 4.636 0 40 GJAB C[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)C1 32815690 RAEAHYSEPQYUBN-CYBMUJFWSA-N 377.410 4.641 0 40 GJAB CC(C)(C)Nc1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)s1 32841163 IWCFLUMPTYCQPE-UHFFFAOYSA-N 392.594 4.668 0 40 GJAB Cc1ccc(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)cc1Cl 33064219 XEEWCHREOFIOBI-UHFFFAOYSA-N 390.867 4.501 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)CCc3ccccc3Cl)cc2)n1 35317106 KUBJYCDBJSHJQR-OAHLLOKOSA-N 381.907 4.894 0 40 GJAB COCCN(Cc1ccsc1)C(=O)NC(c1ccccc1)c1ccccc1 42382306 DJHZUBWBACCIAX-UHFFFAOYSA-N 380.513 4.696 0 40 GJAB Cc1ccccc1-n1ncc(C(=O)Nc2ccc(F)cc2F)c1C(F)(F)F 46120282 USFYXRGGGNZIKN-UHFFFAOYSA-N 381.304 4.730 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(C3CC3)[C@@H](C)C3CC3)c3c(C)noc3n2)s1 47449153 SQGAOLJVNQTHSL-ZDUSSCGKSA-N 381.501 4.971 0 40 GJAB O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC(c2ccc(O)cc2)CC1 47527960 LBQWFVMNROJZAS-UHFFFAOYSA-N 382.847 4.720 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 57412225 FAPJSBAYIYNQEB-UHFFFAOYSA-N 385.851 4.780 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C 57460498 PGWVZRBEGXXCQP-QFIPXVFZSA-N 394.494 4.554 0 40 GJAB COc1ccccc1CNc1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2)n1 57761922 NRYFAJVBHAXILG-UHFFFAOYSA-N 391.862 4.808 0 40 GJAB CC(C)c1noc(CCCC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)n1 58139448 NTYUUTBRJUOFGX-UHFFFAOYSA-N 384.307 4.874 0 40 GJAB O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccccc1Br 71283819 VJQQRAULUQXODD-UHFFFAOYSA-N 393.244 4.640 0 40 GJAB COCCc1ccc(Oc2ccc(NC(=O)CCc3cccnc3)cc2)cc1 108206093 RGIDKEGUXSTLDO-UHFFFAOYSA-N 376.456 4.634 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 222904698 NYHFUJFNXMMCMV-GJZGRUSLSA-N 396.379 4.534 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc2ccccc2c1 223622724 VWLRXUQQZOHODM-HSZRJFAPSA-N 377.484 4.809 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCCOc2ccc(C)c(Cl)c2)c1 224185948 VLEKVCNATQECGZ-UHFFFAOYSA-N 375.896 4.654 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2CN2CCCCC2)cc1 224831186 IRVORBPREHCMBQ-UHFFFAOYSA-N 394.559 4.665 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1 225062678 OSXCQADKKFQQFI-UHFFFAOYSA-N 385.460 4.693 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 225533279 CJGZMQJBBBZDOH-BIPYJSMBSA-N 380.271 4.901 0 40 GJAB CCCOc1c(C)cc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C 225585162 ZANZWCRLVVADDD-UHFFFAOYSA-N 397.515 4.788 0 40 GJAB Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)n2)cc1 225790743 ZALMRZCWWFKGDS-KRWDZBQOSA-N 393.487 4.561 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(I)cc2F)cc1Cl 408624671 YTYHWWSSGBFQDO-UHFFFAOYSA-N 389.595 4.644 0 40 GJAB Cc1ccccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 408625651 YWGNNSMAGCUPCW-UHFFFAOYSA-N 376.481 4.701 0 40 GJAB COC(=O)c1c(NC(=O)[C@H](C)Sc2ccccc2)sc2c1CCCC2 409114180 DASWMBSFGFPFGD-LBPRGKRZSA-N 375.515 4.533 0 40 GJAB CN(C)[C@@H](CNC(=O)Nc1c(F)cccc1F)c1csc2ccccc12 575622242 YIIHIOWSMIZXHF-INIZCTEOSA-N 375.444 4.604 0 40 GJAB Cc1ccnc2ccc(C(=O)Nc3ccc(Cl)c(C(=O)NCC(C)C)c3)cc12 585081647 ZNLOVNWASZBAMY-UHFFFAOYSA-N 395.890 4.835 0 40 GJAB CCn1nccc1[C@@H]1OCC[C@H]1c1nc(-c2cc3cc(Cl)cc(C)c3o2)no1 585099589 XHIUCGIDNYPTRF-RDTXWAMCSA-N 398.850 4.906 0 40 GJAB CC1(C(=O)N2CCC[C@@H](c3cccc(-c4cnc5ccc(Cl)cn45)n3)C2)CC1 585263051 XHPUPVGIFSNNFW-OAHLLOKOSA-N 394.906 4.556 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 615816255 XKVXEXQMLLDSHL-UHFFFAOYSA-N 375.255 4.682 0 40 GJAB COC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CC[C@H](C(C)(C)C)C2 708872 DCZSVQUYMQBTNB-LBPRGKRZSA-N 375.490 4.839 0 40 GJAB COc1ccc(CCNC(=O)c2ccc(-c3ccccc3Cl)o2)cc1OC 810602 VLKSGSBHWUFAED-UHFFFAOYSA-N 385.847 4.590 0 40 GJAB COc1ccc(-c2nnc(-c3ccc(OCc4ccccc4)c(OC)c3)o2)cc1 892024 JFTVYCSDFQSSSH-UHFFFAOYSA-N 388.423 5.000 0 40 GJAB CCc1ccc(Oc2coc3cc(O[C@@H](C)C(=O)OC(C)C)ccc3c2=O)cc1 950704 XJSKXIARGJNNPM-HNNXBMFYSA-N 396.439 4.867 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1Cl 1924408 PJJPVRRICTUJKZ-UHFFFAOYSA-N 396.903 4.884 0 40 GJAB c1ccc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccccc3)cc2)cc1 2504802 HCQAWCPMLUNROW-UHFFFAOYSA-N 375.455 4.878 0 40 GJAB O=C(NCc1c(Cl)cccc1Cl)c1c(C(F)(F)F)ccnc1Cl 2577962 HFOIXIGJNQSPIK-UHFFFAOYSA-N 383.584 4.991 0 40 GJAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(C)cc3)C2)cc1 4837109 UFGHKMIBIKPYAT-QHCPKHFHSA-N 390.508 4.843 0 40 GJAB CC(C)c1ccc(/C=C/C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 6358928 NLCIWZBXWRBIKQ-VMPITWQZSA-N 382.573 4.639 0 40 GJAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 6569581 BGANXMMREDEUQA-SDNWHVSQSA-N 393.556 4.937 0 40 GJAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2ccccc2)cc1 7721216 JTRFDGHQYGZKOE-UHFFFAOYSA-N 389.842 4.987 0 40 GJAB Cc1ccccc1-c1nnc(-c2ccc(NC(=O)Cc3cccs3)cc2)o1 8188622 YAVYFIXISCJRSB-UHFFFAOYSA-N 375.453 4.955 0 40 GJAB O=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 8751187 OIJHOQNNFYGXIF-UHFFFAOYSA-N 380.831 4.501 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(NCc2ccco2)s1 9882628 YLQWDPMULJEWGA-UHFFFAOYSA-N 384.486 4.508 0 40 GJAB COc1cccc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCCC3)n2)c1 10213542 MWUFLGDUOWCYJC-UHFFFAOYSA-N 390.491 4.584 0 40 GJAB CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cccs3)C[C@H]21 10216143 MIFOYGKZZZWSPE-DYESRHJHSA-N 377.469 4.784 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CN3CCC[C@@H]3c3ccccc3)c2)cs1 10340354 VMDBAIPTERSROM-OAQYLSRUSA-N 377.513 4.894 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1 10506747 MDGFBFXCPDRGIF-UHFFFAOYSA-N 388.427 4.727 0 40 GJAB C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccc2ccccc12 12782956 QZLLALGWMDJYLB-UTKZUKDTSA-N 375.468 4.889 0 40 GJAB Fc1ccc(-c2nc(CSc3nnnn3C3CCCCC3)cs2)cc1 12898453 XNZDLLODVQYCJW-UHFFFAOYSA-N 375.498 4.733 0 40 GJAB Cc1ccccc1N1CCN(C(=O)CSc2c(Cl)cccc2Cl)CC1 13069260 SAYASHQHSODEGZ-UHFFFAOYSA-N 395.355 4.743 0 40 GJAB CCC/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@@]1(OC(=O)C2=C1CCC=C2)[C@H]3CCC 13360054 DZMFTLLDUYBHLI-NGCXJBOPSA-N 380.484 4.922 0 40 GJAB in-man CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2ccc(F)cc2F)C1 19461688 JHNJEWFVJAHEGI-FQEVSTJZSA-N 395.453 4.653 0 40 GJAB Cc1nccn1Cc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)no1 19716801 CILCMYAHVWFZNX-UHFFFAOYSA-N 392.846 4.801 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20145174 RQLLHIWXRUODBF-NYYWCZLTSA-N 383.831 4.753 0 40 GJAB CCCCOc1cccc(C(=O)NCc2csc(-c3ccc(OC)cc3)n2)c1 21785876 FMCFYFFNRHGNMP-UHFFFAOYSA-N 396.512 4.928 0 40 GJAB O=C1CN(C(=O)c2cccc(F)c2)[C@H](c2ccccc2)c2ccc(Cl)cc2N1 28048095 XPNPYVPVTLCQDU-OAQYLSRUSA-N 394.833 4.663 0 40 GJAB CCOc1ccc(-c2nc(-c3cccc(NC(=O)C(C)C)c3)no2)cc1OCC 28221810 RPKJSJJSSYYXRV-UHFFFAOYSA-N 395.459 4.796 0 40 GJAB C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1cccc(F)c1)c1ccccn1 28292476 IHWLCHPWKBUBSP-OAHLLOKOSA-N 384.838 4.875 0 40 GJAB Cc1c(NC(=O)c2ccc3ccccc3n2)cccc1-c1nnc2n1CCCCC2 32932427 HDCSRQPZGIQOAF-UHFFFAOYSA-N 397.482 4.780 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 33820774 CVNYHSDFZXHMMJ-KIHIVPLQSA-N 390.564 4.686 0 40 GJAB COc1ccc(NC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 40062612 AMXRNGMHEGVNBU-OAQYLSRUSA-N 386.455 4.677 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 40104464 WVGKFJJOVUPISR-INIZCTEOSA-N 377.444 4.675 0 40 GJAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)n2)cc1 72321968 BBBHQNNAINLYHN-NRFANRHFSA-N 392.890 4.785 0 40 GJAB biogenic,in-vitro O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCc2ccc(O)cc2C1 95356883 UXVAWIKYOFZLLF-UHFFFAOYSA-N 387.357 4.870 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cc(-c2ccco2)on1 96096730 FHFXIVPIDDYNEG-UHFFFAOYSA-N 399.859 4.950 0 40 GJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(Cl)cc2)S1 96117204 NPCPRDFXJISNMZ-ZBFHGGJFSA-N 391.924 4.846 0 40 GJAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1ccccc1F 100156380 XBZKMFRBUAZYQS-OKILXGFUSA-N 385.464 4.641 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)C[C@@H](c2ccccc2O)C1 102625466 ADUZBXJVJSOBOG-ZUOKHONESA-N 392.846 4.702 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1C 222664284 NWFNABWLOUVUGL-HSZRJFAPSA-N 395.524 4.688 0 40 GJAB Cc1cc(C)c(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c(C)c1 224256460 FMHCYLXEQGWLHP-STZFKDTASA-N 388.467 4.923 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225205036 AYECGNKMBDMMBW-KKSFZXQISA-N 393.483 4.892 0 40 GJAB COc1ccc(OC)c(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c1 225262628 HQJNWVUGTQFZFG-UHFFFAOYSA-N 387.439 4.808 0 40 GJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225618833 MERZXCVAFBYIOE-YYDVJCTNSA-N 390.568 4.577 0 40 GJAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(COC3CCOCC3)c2)c1 532261143 XRLFFQMKFHWGID-UHFFFAOYSA-N 383.488 4.638 0 40 GJAB C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ocnc1C(F)F 626214113 BRATXWHMJZJUJM-KDOFPFPSSA-N 382.410 4.831 0 40 GJAB O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCc2ccc(-c3ccccc3)cc21 681696135 QZKQQYXDKLSFON-GMAHTHKFSA-N 382.463 4.583 0 40 GJAB C[C@@H](NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)c1cnn(CC2CCC2)c1 1637143781 BAIDYEIVBQLIQI-OAHLLOKOSA-N 378.520 4.953 0 40 GJAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)c(C(C)C)c1 1653790576 CZNLNXFDDNVCPY-SFHVURJKSA-N 392.609 4.572 0 40 GJAB Fc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1F 2055771664 PIXYPVBEQXLCSH-VXKWHMMOSA-N 379.491 4.543 0 40 GJAB ClC1(Cl)C[C@@H]1CSc1nnc(-c2ccc(Br)cc2)o1 645129 KVWXLUSJOXOIHN-MRVPVSSYSA-N 380.094 4.785 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C 887046 HYBSWXMRQOAMFV-HLFMIMNKSA-N 396.560 4.783 0 40 GJAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 1453769 XGDNAHHETPDYMY-RBBKRZOGSA-N 391.858 4.986 0 40 GJAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)c(Cl)c1 1465413 GPRLKUAFGUBUIG-UHFFFAOYSA-N 388.169 4.952 0 40 GJAB O=S(=O)(Oc1ccc(-c2ccccc2)cc1Br)c1ccccc1 1621420 SKPFELPSACGGLF-UHFFFAOYSA-N 389.270 4.884 0 40 GJAB COc1ccc(CSc2nnc3c4c5c(sc4ncn23)C[C@@H](C)CC5)cc1 2298554 VVQGEWSIXUOBIE-LBPRGKRZSA-N 396.541 4.765 0 40 GJAB COc1ccccc1-c1c(NC(=O)c2cccs2)n(C)c2ccccc2c1=O 2325224 WMYBRTSONBJCMD-UHFFFAOYSA-N 390.464 4.528 0 40 GJAB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 2625739 HTTVOGYJFQKHND-OAHLLOKOSA-N 394.496 4.521 0 40 GJAB COc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccc(C)cc3c2=O)cc1 2691867 JHJJICJHUQOGSZ-UHFFFAOYSA-N 397.474 4.906 0 40 GJAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 2740381 JNGKOQKJZPTSNE-SJORKVTESA-N 378.453 4.569 0 40 GJAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3315376 WLKJRKCASGPMPK-UHFFFAOYSA-N 377.771 4.524 0 40 GJAB O=C(COc1ccccc1)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F 3347490 OPZYBXLCHRKKPI-UHFFFAOYSA-N 393.283 4.664 0 40 GJAB COc1ccc(NC(=O)C[C@]2(c3ccccc3OC)CCO[C@H](C(C)C)C2)cc1 4043041 IVYTXXQCTQTSQX-UPVQGACJSA-N 397.515 4.805 0 40 GJAB biogenic COc1cc(Cl)c(C)cc1NC(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C 4778502 OOHPCTQMOMBOQJ-XBMPDCEQSA-N 394.943 4.563 0 40 GJAB CC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 4816681 NQIXQQBPOCKYCC-MSOLQXFVSA-N 387.270 4.672 0 40 GJAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1OCC(C)C 4828402 LVSQLATWZDEKPC-FQEVSTJZSA-N 396.531 4.581 0 40 GJAB CC(C)(C)C1CCC(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 4979701 FCHVFUGRLWZQFG-UHFFFAOYSA-N 399.575 4.863 0 40 GJAB CN(C)C[C@H]1CCCC[C@H]1OC(=O)CCCOc1ccc(Cl)cc1Cl 5526199 XBTCUCCTGZQYBA-RHSMWYFYSA-N 388.335 4.816 0 40 GJAB CCOc1ccccc1OCCCC(=O)Nc1cccc(Br)c1 6338895 MBWHQFBSTMPWOW-UHFFFAOYSA-N 378.266 4.646 0 40 GJAB O=S(=O)(Nc1nc2c(ccc3ccccc32)s1)c1ccc(Cl)s1 6509955 MOEFKQFPYSSKKD-UHFFFAOYSA-N 380.903 4.965 0 40 GJAB O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCc2ccccc21 6610251 QBEMFOCMGNDUSK-UHFFFAOYSA-N 379.463 4.801 0 40 GJAB C[C@H]1CCCCN1C(=O)COC(=O)CSc1cccc2cccc(Cl)c12 7783317 UFCFXKDIPLNHCA-AWEZNQCLSA-N 391.920 4.530 0 40 GJAB Cc1ccc(CN(C(=O)Nc2ccccc2)c2nnc3n2CCCCC3)cc1 8550069 GPSDDLNPLSYVHX-UHFFFAOYSA-N 375.476 4.552 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1 9063627 FXPFUTWDAFQOOU-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB CCn1ncc2c(C(=O)Nc3ccc(C)cc3F)cc(-c3cccs3)nc21 11431993 SOMQPWUUDZKYFF-UHFFFAOYSA-N 380.448 4.880 0 40 GJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(Oc3nc(C)cc(C)n3)cc2)c1 12090494 UQAWXWMUHNESND-UHFFFAOYSA-N 391.471 4.829 0 40 GJAB O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cccc(F)c2)s1 12808696 LJZQPNFKQNQWPL-ZROIWOOFSA-N 377.803 4.806 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1 12972667 LTDAARVWBNBYBH-UHFFFAOYSA-N 396.878 4.860 0 40 GJAB CC[C@H](Sc1nnc(-c2ccco2)n1C(C)C)C(=O)Nc1ccccc1F 13956575 JIHIACLSNSDRAP-INIZCTEOSA-N 388.468 4.768 0 40 GJAB Cc1ccc(CN(Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 19210194 DYRCSIKOIURPMS-BJKOFHAPSA-N 376.475 4.714 0 40 GJAB O=C(c1ccccc1)N1CCO[C@H](c2ccc(Cc3cccc(Cl)c3)cn2)C1 19692998 XFTURNHAVGVORY-QFIPXVFZSA-N 392.886 4.540 0 40 GJAB COc1ccc(CN2CN(c3ccccc3)C(=S)N(c3ccccc3)C2)cc1 19890869 IXRGNRVJKZJWLC-UHFFFAOYSA-N 389.524 4.724 0 40 GJAB O=C(COc1ccccc1F)Nc1cc(-c2ccccc2)nn1-c1ccccc1 21944801 CYBUNABTUNRPCP-UHFFFAOYSA-N 387.414 4.696 0 40 GJAB CCn1cc(C(=O)Nc2c(Cl)cccc2Cl)c(=O)c2cc(C)ccc21 22234631 DDWVZSCNTOVQKD-UHFFFAOYSA-N 375.255 4.889 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)CSCCOc1cccc(C)c1 24066446 PIVXMOMXHYMYAY-UHFFFAOYSA-N 379.909 4.716 0 40 GJAB c1coc([C@H](CNc2nc(-c3ccncc3)nc3ccccc23)N2CCCCC2)c1 25165134 LBQYDEVEPYKLDM-NRFANRHFSA-N 399.498 4.924 0 40 GJAB O=C(CCc1cccs1)Nc1ccnn1Cc1ccc(Cl)cc1Cl 36395047 JVSVMJSNJSJPKR-UHFFFAOYSA-N 380.300 4.871 0 40 GJAB COc1ccc(Cl)cc1NC(=O)N1CCC(Cn2cnc3ccccc32)CC1 36708947 WUTDUSWEELXUNZ-UHFFFAOYSA-N 398.894 4.642 0 40 GJAB O=C1CCCN1c1ccccc1NC(=O)N1CCC[C@@H]1c1ccccc1Cl 40152263 PHEYQEITSJNGHX-GOSISDBHSA-N 383.879 4.836 0 40 GJAB O=c1c2c(-c3cccc(Cl)c3)n3ncnc3nc2ccn1C1CCCCCC1 40397969 FVBNJQLQBNYSDS-UHFFFAOYSA-N 393.878 4.655 0 40 GJAB COc1ccccc1OC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 42619906 WWTZABJURXMONF-UHFFFAOYSA-N 386.407 4.940 0 40 GJAB CCCOc1ccc([C@H](C)NC(=O)CCc2c[nH]c3ccccc23)cc1OC 48333755 KCDNLIDKTSPIOV-INIZCTEOSA-N 380.488 4.775 0 40 GJAB CCOc1ccc2[nH]c(=O)c(CNc3cc(C(C)C)c(OC)cc3C)cc2c1 57710049 PSSDSUVOTIRSAR-UHFFFAOYSA-N 380.488 4.979 0 40 GJAB O=C(CN(C1CCCC1)C1CCCC1)Nc1ccc(Br)cc1F 58173382 OCTCLOVOQGIPKA-UHFFFAOYSA-N 383.305 4.714 0 40 GJAB Cc1cc2oc(=O)cc(COc3cc(Cl)ccc3C(N)=O)c2cc1C(C)C 62696245 RNGOYUAOWCWFEP-UHFFFAOYSA-N 385.847 4.556 0 40 GJAB Cc1cc(F)ccc1/N=c1\oc2ccccc2cc1C(=O)Nc1nccs1 67296135 OOHKQXRRSPXLEN-NMWGTECJSA-N 379.416 4.822 0 40 GJAB CCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)cc1 67297829 NKOMDJSOWVPCLM-LCUIJRPUSA-N 399.450 4.889 0 40 GJAB COc1cc(C(=O)NCCCCc2nccs2)cc(Cl)c1OCC(C)C 69456928 IXHKACHKAIZZQR-UHFFFAOYSA-N 396.940 4.593 0 40 GJAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3ccc(C)o3)N1CC2 72342216 SFDNJAHXLUUHEA-DHIUTWEWSA-N 376.456 4.677 0 40 GJAB CNc1ncccc1CN1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72350263 HIDBSNPKYLCCFO-IBGZPJMESA-N 390.506 4.628 0 40 GJAB CCOC(=O)c1sc2ncnc(N[C@H](c3ncc(C)s3)C3CC3)c2c1C 84795603 DIIMNVVAFFFWBC-ZDUSSCGKSA-N 388.518 4.505 0 40 GJAB O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cccnc1SC(F)F 95948387 JKEFUFXBLNADTH-UHFFFAOYSA-N 391.374 4.975 0 40 GJAB Cc1sc(NC(=O)c2ncoc2[C@@H]2CCCO2)nc1-c1ccc2c(c1)CCC2 95962515 FJAXRWWBUNCNAY-INIZCTEOSA-N 395.484 4.699 0 40 GJAB COc1cccc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1OC 97010921 CUKICKCYCHHEIR-UHFFFAOYSA-N 398.846 4.584 0 40 GJAB Cc1ccccc1-c1nc(CN[C@H](C)CCc2ccc(OC(F)F)cc2)no1 97164463 VYDIIWWQWPHIJT-OAHLLOKOSA-N 387.430 4.757 0 40 GJAB Cc1cccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 98073062 UUIYIVGXULJTCU-UHFFFAOYSA-N 394.212 4.577 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219317856 KIIMHSLJDGPZHF-WOJBJXKFSA-N 383.488 4.580 0 40 GJAB Cc1nc(-n2cccc2)sc1C(=O)N1CCS[C@@H](c2cccs2)CC1 219460098 ARFCJFRFHQDXSC-OAHLLOKOSA-N 389.571 4.624 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 223000565 FIQVETFWGAMXIK-NHCUHLMSSA-N 397.515 4.888 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC 223853457 PQJTZSUUVJRSAD-QGZVFWFLSA-N 387.351 4.817 0 40 GJAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)c1 224297020 OUALYNWRBXWHJJ-FGZHOGPDSA-N 390.556 4.831 0 40 GJAB CC(=O)NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1C 408627585 LZGZHZUYDUNILW-UHFFFAOYSA-N 394.283 4.943 0 40 GJAB CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC 408771256 FFEKSJOSDDSQIH-PZHBDVNGSA-N 398.528 4.646 0 40 GJAB O=C(O)c1cccc2c1N[C@H](c1ccc3c(c1)OCO3)[C@@H]1Cc3ccccc3[C@H]21 408994416 FXETWQSUGKXKEZ-STZQEDGTSA-N 385.419 4.585 0 40 GJAB Cc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1ccc(Br)cc1 777937 CEEXPEOYRJTTGP-UHFFFAOYSA-N 384.060 4.763 0 40 GJAB O=C(O)CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 1244972 WPRGAEQMKPNKCQ-KRWDZBQOSA-N 391.254 4.536 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)Cc1ccccc1F 1330014 KFZPBSJJRIDWMQ-UHFFFAOYSA-N 387.410 4.775 0 40 GJAB O=C(Nc1cccc(F)c1)N(CCc1nc2ccccc2[nH]1)Cc1ccccc1 1360665 PSOZYONASXXVJF-UHFFFAOYSA-N 388.446 4.979 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2C)c(Cl)c1 2403938 NGGFUBOUYGNDDX-UHFFFAOYSA-N 392.937 4.545 0 40 GJAB CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1CC[C@@H](C)C2 3289561 VSFXEEPGSHCOPP-LLVKDONJSA-N 392.521 4.998 0 40 GJAB COc1ccc(OCCSc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 3353647 GWLPXUYLMSCLFI-CYBMUJFWSA-N 386.542 4.996 0 40 GJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 4734737 CNLKTLLBHHEBTR-IBGZPJMESA-N 381.863 4.930 0 40 GJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 4758127 JYBLPRVSUYUPPM-USQBOPSSSA-N 385.592 4.878 0 40 GJAB biogenic,in-vitro O=C1C[C@H](c2ccccc2)CC2=NNC(c3ccc(Br)cc3)=C[C@H]12 5279716 AFCNKNFHNUDTKV-WBVHZDCISA-N 381.273 4.512 0 40 GJAB Cc1nc(SCC(=O)N[C@@H](C)c2ccccc2)c2c3c(sc2n1)CCCC3 6113794 NGBVYLUDXFAOBN-ZDUSSCGKSA-N 397.569 4.848 0 40 GJAB O=C(O)c1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 6861971 NGMMOJNCXKUXQH-UHFFFAOYSA-N 375.302 4.916 0 40 GJAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)O[C@@H](C(=O)NC1CC1)c1ccccc1 7114064 JXRBPBZVCODIBS-BQHJZSHBSA-N 390.266 4.570 0 40 GJAB O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(Cl)cc1 7573232 QTNRVQBFRDFWSF-UHFFFAOYSA-N 378.863 4.650 0 40 GJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc2c(c1)CCCC2 8073813 SMCDREISEHCJJM-UHFFFAOYSA-N 386.499 4.803 0 40 GJAB CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2ccc(C)o2)cs1 8342195 FKVUZOFWSNQJPL-UHFFFAOYSA-N 390.848 4.740 0 40 GJAB C/C(C=NNC(=O)c1cccc(Cn2cccn2)c1)=C/c1ccc(C(C)C)cc1 8781377 KQGKRADCTMLIDD-SIYMRZRGSA-N 386.499 4.874 0 40 GJAB O=C1c2ccccc2-c2cc(N3CCN(C4CCCCC4)CC3)nc3cccc1c23 9576173 XOQVJFSMNQZLSE-UHFFFAOYSA-N 397.522 4.901 0 40 GJAB CCn1c(Cc2ccccc2)nnc1SCc1cc(=O)oc2cc(C)ccc12 9663031 KQMXOBPOIRLIRE-UHFFFAOYSA-N 391.496 4.596 0 40 GJAB COc1ccc(-c2nc(C(=O)Nc3cccc4ncccc34)cs2)cc1OC 12764169 BHGMAQJFIOWNLD-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c(Cl)c1 12916830 RODYJQACHPTXKC-UHFFFAOYSA-N 377.271 4.989 0 40 GJAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 12920232 VKLJNQKKSCJXRB-SJORKVTESA-N 393.556 4.742 0 40 GJAB C[C@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)c1ccc(F)c(F)c1 12925034 IALDNVGEUQYIAY-ZDUSSCGKSA-N 382.362 4.766 0 40 GJAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3cccs3)s2)cc1 12936828 IKGLNRYZKSRQTI-ZROIWOOFSA-N 375.906 4.575 0 40 GJAB C[C@@H]1CN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@@H](C)O1 13002199 GVANIWCNBNNUOR-HZPDHXFCSA-N 375.553 4.556 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 13684976 PCPKYLKFPGWLDP-UHFFFAOYSA-N 386.495 4.864 0 40 GJAB c1ccc(Cn2c(SCc3ccc(-n4cccn4)cc3)nnc2C2CC2)cc1 14109142 GAHJBIQMNUHWNU-UHFFFAOYSA-N 387.512 4.682 0 40 GJAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3nc(C(C)(C)C)cs3)c12 14180577 NDCNNOIJJCTROU-UHFFFAOYSA-N 395.488 4.543 0 40 GJAB C[C@@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1Cl 14230638 MNIVNWAOCBTVJS-CQSZACIVSA-N 383.879 4.575 0 40 GJAB C[C@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)c1cccc(C(F)(F)F)c1 14808474 OTRSECPDOYTMEK-JTQLQIEISA-N 392.299 4.533 0 40 GJAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1ccccc1Br 15615101 WQYACMQGOJCOBE-UHFFFAOYSA-N 390.668 4.600 0 40 GJAB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(O)c(C(=O)O)c1 20150981 OFMHQPGBQPJTJN-JXMROGBWSA-N 383.787 4.656 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1cccc(Cl)c1 20461800 AVSLUDLMZWDAOX-IBGZPJMESA-N 377.937 4.855 0 40 GJAB COc1ccc([C@@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)cc1O 20851437 JZTWOIIJMZTFDH-AWEZNQCLSA-N 398.256 4.791 0 40 GJAB CCCCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc12 21789104 TWEYEBRWVGIJHC-UHFFFAOYSA-N 377.366 4.680 0 40 GJAB O=C(Cc1coc2cc3c(cc12)CCC3)N[C@H](c1ccccc1)c1ccncc1 21842952 VRWWJODYWRTLIE-RUZDIDTESA-N 382.463 4.765 0 40 GJAB COCc1c(C(=O)N(C)Cc2cc(C)ccc2OC)sc2cccc(F)c12 21938759 NAPDCUCGMDCZLJ-UHFFFAOYSA-N 387.476 4.776 0 40 GJAB COc1ccc(NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cn1 22475176 CTNIHUBZEHXZNV-UHFFFAOYSA-N 393.390 4.793 0 40 GJAB COc1ccc(OCC(=O)N(Cc2cccc3ccccc23)c2ccccn2)cc1 27744945 CMCFLMQGRJCFBE-UHFFFAOYSA-N 398.462 4.856 0 40 GJAB C[C@@H]1CCCN(Cc2csc(NC(=O)CCc3ccccc3Cl)n2)C1 28685326 MDFXTGKRMVZEJT-CQSZACIVSA-N 377.941 4.600 0 40 GJAB CCCn1c(C)cc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4O3)n2)c1C 29763278 QAKSVDUAWZJOCA-IBGZPJMESA-N 381.501 4.581 0 40 GJAB COc1ccc(CC(=O)Nc2ccccc2N2CCc3ccccc32)c(OC)c1 31532667 ANTICRKDFAWHMW-UHFFFAOYSA-N 388.467 4.579 0 40 GJAB Cc1nn(-c2ccc(NC(=O)c3ccccc3F)cc2)c(C)c1Br 32611495 ARHBELMZIKRHLX-UHFFFAOYSA-N 388.240 4.643 0 40 GJAB O=C(OC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 32922277 RLEGRJQRXDGTEX-CQSZACIVSA-N 392.282 4.703 0 40 GJAB CC(C)(C)N1C[C@@H](C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)CC1=O 35317056 QZBUNBBZDMZVHM-HNNXBMFYSA-N 393.512 4.549 0 40 GJAB Cc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCCC4)c(=O)c23)cc1C 35672394 YTIHHOYUQCOIJG-UHFFFAOYSA-N 379.460 4.672 0 40 GJAB COc1cc(C(=O)NCCc2cccc3cccnc23)cc(Cl)c1OC(C)C 39547953 VKEVRNOEUMVCHS-UHFFFAOYSA-N 398.890 4.657 0 40 GJAB O=C(NCCSC1CCCCC1)C1CCN(Cc2ccccc2Cl)CC1 39763375 DWCYTFGBOWHKGN-UHFFFAOYSA-N 395.012 4.734 0 40 GJAB O=C(CCn1ccc2ccccc21)NCc1cccnc1Oc1cccc(F)c1 58819845 PUNSRWICDLNICO-UHFFFAOYSA-N 389.430 4.674 0 40 GJAB CC(C)(C)CC(=O)N[C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C 67889961 RQPZILXUBDLWBI-UZLBHIALSA-N 384.520 4.763 0 40 GJAB biogenic,in-vitro CCN(C(=O)c1cc(Br)ccc1Br)c1ccccc1 68741454 XUJJHKALOGEARX-UHFFFAOYSA-N 383.083 4.878 0 40 GJAB C[C@H](Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc12)c1ccccc1 72328513 BTHJHIBBQWBMRO-HNNXBMFYSA-N 395.503 4.736 0 40 GJAB O=C(Nc1ccc(N2CCc3sccc3C2)cc1)c1cc(F)c(F)c(F)c1 95349301 OBRDMCRJXIPHSR-UHFFFAOYSA-N 388.414 4.980 0 40 GJAB CC(C)c1nc(-c2cc(C(=O)NCc3ccccn3)c3ccccn23)cs1 96154828 XDAGGSVAGTWDQT-UHFFFAOYSA-N 376.485 4.511 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2)c1 102122106 ZGEZPJPZEVUSOB-UDDWMFPDSA-N 375.468 4.739 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2Br)cc1 216282415 JLRHJZPYPRNHNA-SFHVURJKSA-N 376.294 4.975 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C 222781548 MNKPEEMPWIOJAH-VXKWHMMOSA-N 390.556 4.541 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 223313988 HGLXOJWUJUBHCE-QFIPXVFZSA-N 394.559 4.568 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccccc1C(C)(C)C 223714688 UCEBVMUDHYIHJA-HXUWFJFHSA-N 383.532 4.954 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 223852495 LEECMHDQDTYMCQ-WOJBJXKFSA-N 392.528 4.521 0 40 GJAB O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCC(Cc2ccccc2)CC1 224057569 CHWMHUMNNZLGDH-UHFFFAOYSA-N 379.891 4.621 0 40 GJAB COc1ccc(NC(=S)NCCSc2ccc(C)cc2)c2cccnc12 225287494 YVCWIJRQSJEKQF-UHFFFAOYSA-N 383.542 4.631 0 40 GJAB CCOc1ccccc1CNC(=S)Nc1ccc(Br)c(C)c1 225442034 NWEGWIIIFGLFIE-UHFFFAOYSA-N 379.323 4.643 0 40 GJAB O=C(NCCC1=CCCCC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225578550 PUNVJGYYMNRDHG-UHFFFAOYSA-N 378.919 4.698 0 40 GJAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225607468 KNKNMKHCVSYEPN-HSZRJFAPSA-N 390.568 4.577 0 40 GJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225689250 VGHLYEWTJXCLLL-QHCPKHFHSA-N 390.568 4.721 0 40 GJAB COc1cccc(NC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 225760463 ULNSHXUBXPOXOA-INIZCTEOSA-N 389.455 4.830 0 40 GJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl 408562570 BQYFZRBMSXRKSA-UHFFFAOYSA-N 390.936 4.740 0 40 GJAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccccc2)c1 408699439 WWEODZYFHPJZNW-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)c2ccccc2)cc1 409368565 CCVYAZLJJUEXOQ-WMIMKTLMSA-N 399.490 4.871 0 40 GJAB Cc1ccc(CN2C(=O)CC[C@@]23CCCN(Cc2cc(F)ccc2F)CC3)cc1 585100278 JKBWABZJPUYIGK-XMMPIXPASA-N 398.497 4.821 0 40 GJAB CC(=O)N1CCCCCCCN(CC2CCCCC2)Cc2ccc(CO)cc21 643563522 BCCKXPQBXPVHRE-UHFFFAOYSA-N 386.580 4.878 0 40 GJAB Cc1nc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)nc2c1CCCC2 670867858 OFJYGTZLNITAAB-UHFFFAOYSA-N 384.892 4.693 0 40 GJAB Cc1cc(I)c(C(C)C)cc1NC(=O)c1ccccc1 1678822 AYBGDZSCBDEKOS-UHFFFAOYSA-N 379.241 4.975 0 40 GJAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 2493302 MLLRBRIOUJSQNQ-OAQYLSRUSA-N 382.419 4.555 0 40 GJAB Cc1ccc(-c2nnc(NC[C@@H]3COc4ccccc4O3)c3ccccc23)cc1 2625699 JVCZBYVAUZAAJF-GOSISDBHSA-N 383.451 4.857 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccccn2)c1 2664202 DBGASUUXPSWKQI-UHFFFAOYSA-N 385.345 4.605 0 40 GJAB CSc1nc2ccc(N[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)cc2s1 3292477 GLMMXZUWYORVKS-LLVKDONJSA-N 385.514 4.660 0 40 GJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)c1OC 4535155 DRMWSOVOERZZOW-GITVRXCZSA-N 379.456 4.699 0 40 GJAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCCCC2)cc1 4668770 WMGKBJPKUZMADQ-HXUWFJFHSA-N 378.472 4.908 0 40 GJAB COc1cccc(NC(=S)N2CCC[C@@H](c3nc4cc(C)c(C)cc4[nH]3)C2)c1 4858923 BIEZOIHALFLSTB-MRXNPFEDSA-N 394.544 4.765 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cccc(OC(C)C)c3)n2)cc1OC 5015840 MDIHVASQDKBCAM-UHFFFAOYSA-N 398.484 4.867 0 40 GJAB COc1ccc2nc(SCC(=O)N(Cc3ccco3)C3=CCCCC3)[nH]c2c1 5083235 BZEJJICEMOECAZ-UHFFFAOYSA-N 397.500 4.743 0 40 GJAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccccc1Cl 6128860 XYICZOUXFVTZRP-UHFFFAOYSA-N 384.892 4.529 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)c2)c(C)c1 6266462 CUKGZYKRQUUHHG-UHFFFAOYSA-N 377.307 4.501 0 40 GJAB Cc1ccc(Nc2nc(C(=O)NCCc3c[nH]c4ccccc34)cs2)cc1C 6966696 VMODMZONXMLHAB-UHFFFAOYSA-N 390.512 4.957 0 40 GJAB O=C(COc1ccccc1)N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 7281176 VQMTZXKXUCELFL-NRFANRHFSA-N 383.394 4.573 0 40 GJAB CCCCN1CN(CCOc2ccc(Cl)cc2)Cn2c1nc1ccccc12 7699110 IRWKXPYWWJAPGJ-UHFFFAOYSA-N 384.911 4.606 0 40 GJAB O=C(NCc1cccs1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 7737360 VZBBWTAKHWQJOT-UHFFFAOYSA-N 379.510 4.847 0 40 GJAB O=C(OCCOc1ccc(Cl)cc1)c1ncc(Cl)c(Cl)c1Cl 7777456 PSCHTHDCMJQFKJ-UHFFFAOYSA-N 381.042 4.931 0 40 GJAB Cc1ccc2nc(CN(C)Cc3ccc(-c4ccc(Cl)cc4)o3)cc(=O)n2c1 7777917 BMMWRGFJTSPQKL-UHFFFAOYSA-N 393.874 4.548 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(Br)cc1 8007192 VYQURYQPLKXVAL-UHFFFAOYSA-N 379.304 4.815 0 40 GJAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccccc1Cl 8072123 IGDVEEJAMGFHRU-UHFFFAOYSA-N 384.819 4.511 0 40 GJAB C=CCc1cc(/C=C2/S/C(=N/c3ccc(C)cc3C)NC2=O)cc(OC)c1O 8368446 LHGPJFXOIQFGBB-XDHOZWIPSA-N 394.496 4.638 0 40 GJAB CSc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1 11399811 NSWJPPXZCVXJOW-UHFFFAOYSA-N 386.698 4.842 0 40 GJAB Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccc(F)cc4)ccc3C(=O)O2)cc1 12274521 OUQYVNAOUCVPRO-NRFANRHFSA-N 375.399 4.841 0 40 GJAB Cc1cc(NC(=O)[C@H](c2ccccc2)N(C)Cc2c(F)cccc2Cl)no1 12850361 SSEGSIQAUKEWRQ-IBGZPJMESA-N 387.842 4.587 0 40 GJAB O=C(C[C@H]1C=CCC1)NCCCCOc1ccc(OCc2ccccc2)cc1 12971680 OTBKTPGCRFTDBL-FQEVSTJZSA-N 379.500 4.897 0 40 GJAB O=C(COc1ccc(C(=O)O)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 13084934 WGWLPTVIXSSUBJ-UHFFFAOYSA-N 397.814 4.848 0 40 GJAB Clc1ccc(-c2nnc3sc(-c4cccc(Br)c4)nn23)cc1 13691343 RDPUFJFHHGFFLG-UHFFFAOYSA-N 391.681 4.936 0 40 GJAB COc1ccc(-c2nc(-c3cc4ccc(OC(C)=O)cc4oc3=O)cs2)cc1 13692599 SJPHYWWBVWDGEF-UHFFFAOYSA-N 393.420 4.517 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 15511435 PWMMMTWGRFMMID-UHFFFAOYSA-N 395.890 4.727 0 40 GJAB Clc1ccc(OCc2ccccc2)c(CNCc2ccc3c(c2)OCO3)c1 16480570 RCTIWSQNDXYQMV-UHFFFAOYSA-N 381.859 4.938 0 40 GJAB O=C(CC1CCCC1)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 17154614 WKBMSYVVZRHOFO-UHFFFAOYSA-N 384.907 4.831 0 40 GJAB Cc1cc(C)n(-c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)no3)cc2)n1 19659438 JKYQVTZMSQJICA-UHFFFAOYSA-N 376.391 4.536 0 40 GJAB O=c1oc2ccccc2cc1-c1ccc(Br)cc1Br 20160514 GBZQULLIYUDYHE-UHFFFAOYSA-N 380.035 4.985 0 40 GJAB Cc1ccc(-c2nnc([C@@H](C)N3CCN(Cc4ccc(Cl)cc4)CC3)o2)cc1 22777240 PSFRJIUGPQWFCW-QGZVFWFLSA-N 396.922 4.577 0 40 GJAB O=C(Nc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1)c1ccccc1 23055422 IFCZJAHTAIJPKQ-WMZOPIPTSA-N 390.405 4.790 0 40 GJAB O=C(CSc1nc2cc(Cl)ccc2s1)N[C@H]1CCOc2ccccc21 26911083 JGEXGYNFVOSSLE-ZDUSSCGKSA-N 390.917 4.682 0 40 GJAB CCOCc1ccccc1CNC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 27373683 IPORRQFMUZHKFB-UHFFFAOYSA-N 381.303 4.872 0 40 GJAB O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCO[C@H](c2ccccc2)C1 27909497 NVJQSDQGVAKMSQ-IBGZPJMESA-N 398.915 4.606 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccnn1Cc1cccs1 28404492 QXOUEURSJIYCKR-OAHLLOKOSA-N 383.517 4.696 0 40 GJAB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 28993548 BUNHWYZLMCWGFQ-LTGZKZEYSA-N 397.478 4.877 0 40 GJAB Cc1cc(C(=O)Nc2ccc(F)c(F)c2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616089 YCPIMCLUOKYWNP-UHFFFAOYSA-N 396.372 4.707 0 40 GJAB Cc1cc(C(=O)Nc2ccc(F)cc2C)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616621 GVJCHQJIMCZTJO-UHFFFAOYSA-N 392.409 4.876 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Nc1ccccc1NC(=O)c1cccnc1 38678841 PWVBZLQAZMPMLX-UHFFFAOYSA-N 396.834 4.640 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)c1C 40159758 VXOMSPJKWDLLDJ-CYBMUJFWSA-N 399.903 4.558 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccccc2C)ccc1Cl 44948724 ZFOIZSICMUQRFP-QGZVFWFLSA-N 375.852 4.621 0 40 GJAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(C2SCCS2)cc1 48286780 DUGUQLXKBMLUQC-UHFFFAOYSA-N 398.553 4.654 0 40 GJAB CCCOc1cc(C)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 48290760 GEWZAUJQFDFWHP-UHFFFAOYSA-N 393.462 4.850 0 40 GJAB CC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(C)c1 52989240 SCIVSAWLFKGYIA-UHFFFAOYSA-N 378.272 4.518 0 40 GJAB COC(=O)c1cc(NCc2cc3ccc(OC)cc3nc2Cl)c(F)cc1F 58419037 FWAWRRLMNOOOGF-UHFFFAOYSA-N 392.789 4.574 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C2OCCO2)c1 59489551 ARYLUQCNHYUEFN-UHFFFAOYSA-N 384.819 4.601 0 40 GJAB CC[C@@](C)(NC(=O)Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 78796979 PICYAWMYURHXCJ-HSZRJFAPSA-N 379.504 4.646 0 40 GJAB Oc1cccc([C@H]2CN(c3nc4cc(C(F)(F)F)ccc4s3)CCO2)c1 84374496 VRRGZCHGLSSEBY-OAHLLOKOSA-N 380.391 4.599 0 40 GJAB c1coc(CN[C@H]2CC3(CCN(Cc4ccco4)CC3)Oc3ccccc32)c1 96242824 AQGGQVJZOPFASF-NRFANRHFSA-N 378.472 4.521 0 40 GJAB COc1ccc(OC)c(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 98073360 ZTFORQJYESGBJH-MRXNPFEDSA-N 389.451 4.677 0 40 GJAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@H](c3cccnc3)C2=C(O)C1 102582331 WBDSSSBPZIJYSH-LJQANCHMSA-N 387.443 4.819 0 40 GJAB O=C(Nc1nc2ccccc2s1)[C@H]1C[C@H]2C[C@H]1[C@](F)(C(F)(F)F)C2(F)F 135888686 DFAPUXWLYQUGGJ-PJPCKVBYSA-N 394.340 4.797 0 40 GJAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccc(OC(F)(F)F)cc1 206944834 QCACNMIMESMXNP-UHFFFAOYSA-N 378.375 4.639 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2C)cc1Cl 216267905 JYWDLEABLUXNNP-QGZVFWFLSA-N 375.852 4.621 0 40 GJAB C[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 222951559 GXNRYHJCVUUMQP-ZDUSSCGKSA-N 381.900 4.539 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CC1 225009303 UKLXAHDULKAEIA-RTWAWAEBSA-N 380.561 4.750 0 40 GJAB COCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1Cl 225616940 BFJUPVZSCINKSA-UHFFFAOYSA-N 385.932 4.781 0 40 GJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3C)CC2)n1 257299690 RRBUUIJRULOWSN-QGZVKYPTSA-N 392.547 4.708 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(F)cc3)N21 260753079 BEVXHTJTOFBBND-HBGVWJBISA-N 392.503 4.991 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)CSCc1ccccc1Br 408567816 RMCPFVBKUXZGGX-HNNXBMFYSA-N 392.362 4.820 0 40 GJAB O=C(CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O)c1ccccc1 409224834 NAGSIEJPXDRSFU-CXUHLZMHSA-N 392.263 4.913 0 40 GJAB C[C@@H]1CCc2c(sc3nc(-c4cc5ccccc5oc4=O)nc(S)c23)C1 575616649 VUBIXRNCHUSZAD-SNVBAGLBSA-N 380.494 4.878 0 40 GJAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(NCC(=O)O)c2c1C 585146017 NZRPYMSHVGYLCX-UHFFFAOYSA-N 393.921 4.750 0 40 GJAB O=C(CC1CC1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585263047 XBVCGTYYRKAZMO-MRXNPFEDSA-N 394.906 4.556 0 40 GJAB Cc1ccccc1CNc1ccccc1NC(=O)C1(C(F)(F)F)CCOCC1 613298612 UANBOTYFEZBFNY-UHFFFAOYSA-N 392.421 4.905 0 40 GJAB CSc1ccc(O[C@H](C)C(=O)Nc2ccccc2Sc2ncccn2)cc1 1616353096 SQIVLHFEOUSZCI-CQSZACIVSA-N 397.525 4.756 0 40 GJAB Cc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c(Br)c1 888445 ZEOYUBHCVGLAFK-UHFFFAOYSA-N 390.306 4.819 0 40 GJAB O=C1CCCc2oc3c(cc(NS(=O)(=O)c4cccs4)c4ccccc43)c21 944467 WYTHXFLNFYIVKD-UHFFFAOYSA-N 397.477 4.967 0 40 GJAB Cc1cc2cc(C)c3nnc(SCC(=O)Nc4ccccc4F)n3c2cc1C 1223239 SEYUAMQHBXIGTQ-UHFFFAOYSA-N 394.475 4.678 0 40 GJAB Cc1ccc(C)c2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc12 1342984 RUAWSDMJOBKKAR-UHFFFAOYSA-N 387.508 4.847 0 40 GJAB CCOC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1 1426021 NZOPHYBTDFCWAE-UHFFFAOYSA-N 393.409 4.600 0 40 GJAB O=S(=O)(Nc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 1720709 QURLQRRDONBYNC-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)Cc4ccccc4)nc3C2)cc1 2424505 MQMRWVKAIYNIIQ-FQEVSTJZSA-N 399.494 4.694 0 40 GJAB CCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 2461007 FVDHHJASFCVTGC-UHFFFAOYSA-N 381.425 4.565 0 40 GJAB CC(C)Sc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 2721618 LFJPNANQDIYLBA-UHFFFAOYSA-N 377.462 4.814 0 40 GJAB CCOc1cc2[nH]c(=S)n(Cc3ccc(Cl)cc3)c(=O)c2cc1OCC 2976549 WJDMYSLVPYTZOP-UHFFFAOYSA-N 390.892 4.558 0 40 GJAB Cc1cc(C)c2nc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)sc2c1 3369314 HBDBVZOIXCKDFK-KRWDZBQOSA-N 382.485 4.723 0 40 GJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 3445120 XSYQNCCMPJIIMD-FZMZJTMJSA-N 397.566 4.589 0 40 GJAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](CCc3ccccc3)[C@H]1[C@H]2C 4024027 FCPKYEAPHJRRQX-HWZRGEEFSA-N 385.548 4.987 0 40 GJAB biogenic COC(=O)c1c(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCC2 4322732 UHQSIQGEHJXZEZ-NOZJJQNGSA-N 388.316 4.553 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 4628741 ZBULIMFQRZMOJA-HLPPOEQASA-N 375.534 4.814 0 40 GJAB O=C(Nc1nc(-c2ccccc2)cs1)c1cc2cc(Cl)ccc2oc1=O 4662623 ONMOMGHFTMTFOX-UHFFFAOYSA-N 382.828 4.822 0 40 GJAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(Br)c(Cl)c1 4698788 IPVYWVZUDCXRSN-UHFFFAOYSA-N 394.696 4.999 0 40 GJAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 5111213 YNSNZWHJHOCAIT-UHFFFAOYSA-N 391.423 4.673 0 40 GJAB CC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 7306521 QGUXIHOJALOGSA-INIZCTEOSA-N 384.785 4.565 0 40 GJAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7684270 PQGBIFMTTCGWLW-IIBYNOLFSA-N 390.483 4.738 0 40 GJAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(Cl)cc1F 7737925 BAULYPNHKZSLEZ-UHFFFAOYSA-N 398.821 4.749 0 40 GJAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1cccc(Cl)c1Cl 7990892 RITAYWPIMUYFPV-SSDOTTSWSA-N 389.333 4.539 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1cccc(Cl)c1 8041548 IKYFTXDXERWPJD-QGZVFWFLSA-N 393.936 4.556 0 40 GJAB CN(Cc1ccco1)C(=O)CSc1nc(-c2cccs2)nc2ccccc12 8264566 OBAINXOMLPFFJD-UHFFFAOYSA-N 395.509 4.702 0 40 GJAB CC(C)n1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1ccco1 8388968 IZIOLMMSJNBTNB-UHFFFAOYSA-N 394.859 4.642 0 40 GJAB Cc1nc2c(=O)n(Cc3c(F)cccc3Cl)nc(-c3cccs3)c2s1 8956072 BVOFJDHJBJUMAP-UHFFFAOYSA-N 391.880 4.731 0 40 GJAB O=C(Nc1nc(SCc2ccccc2)ns1)c1cnc(Cl)c(Cl)c1 9315558 QHWWDEZRSZEVKJ-UHFFFAOYSA-N 397.312 4.785 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)sc(C)c1C 11914300 UVUVNFXLUIGZGY-UHFFFAOYSA-N 399.468 4.517 0 40 GJAB COc1cccc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)c1 12135093 HROKGLFNAPTUNG-UHFFFAOYSA-N 394.544 4.554 0 40 GJAB COc1ccccc1C(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1C 12539154 MVAGHAQBYJDPTN-GOSISDBHSA-N 399.494 4.893 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)c1 12593895 KSCCSTNQHZSDIV-OAHLLOKOSA-N 386.542 4.775 0 40 GJAB COCCCn1c(SCc2ccccc2F)nc2cc(Cl)ccc2c1=O 12911760 ISPXWKRJZIBXOA-UHFFFAOYSA-N 392.883 4.518 0 40 GJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(OCC(F)(F)F)cc1 12916901 LWKOXUJSQPLEHX-UHFFFAOYSA-N 390.361 4.772 0 40 GJAB CCCc1cc(OC(=O)c2cccc(Cl)c2)n(-c2nc3ccccc3[nH]2)n1 13639588 VQQIMPZHLDJUKN-UHFFFAOYSA-N 380.835 4.574 0 40 GJAB COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc(C)cc2Br)c1C 14086540 SEWDGYBTLBEPSC-CQSZACIVSA-N 394.309 4.645 0 40 GJAB COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)cs2)cc1 15832719 QGDHXWOECNVDJY-MRXNPFEDSA-N 396.512 4.519 0 40 GJAB O=C(O)c1ccc(CNCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 16399555 JOMJHPXBKUPPMW-UHFFFAOYSA-N 381.859 4.907 0 40 GJAB Cc1csc([C@H](Cc2cccs2)NCc2cc(Cl)c3c(c2)OCO3)n1 19240073 PWYZIASVPZIZIL-HNNXBMFYSA-N 392.933 4.969 0 40 GJAB Cc1c(NC(=O)c2cc(C3CC3)nc3ccccc23)cccc1C(=O)N1CCCC1 19714770 IKDOCJGVCJFQAN-UHFFFAOYSA-N 399.494 4.909 0 40 GJAB C[C@H](CCc1ccc(Cl)cc1)NC(=O)C1(c2ccccc2F)CCOCC1 19717444 YXWRKFXGYOSWQC-MRXNPFEDSA-N 389.898 4.665 0 40 GJAB CC(C)[C@@H](C(=O)N[C@@H](c1ccccc1)c1nccn1C)c1ccc(Cl)cc1 25051014 OTQGRPSQMCKTNU-UXHICEINSA-N 381.907 4.719 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(Cn2cc(Cl)cn2)cc1 27969540 GRMJZRIOLGEONI-UHFFFAOYSA-N 397.759 4.995 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)/C=C/c1cccs1 32525142 LXWCIXRAIGXDTK-ZHACJKMWSA-N 399.947 4.935 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 32772750 HVUHWZBDOSBXEK-MRXNPFEDSA-N 394.689 4.900 0 40 GJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)N1CCC(c2ccccc2)=N1 32777569 YZXOBVDTURDGNH-CQSZACIVSA-N 390.314 4.623 0 40 GJAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc(Cl)ccc1Cl 32912099 LIZIWJJRSLRMFH-UHFFFAOYSA-N 388.298 4.850 0 40 GJAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cc(-c2ccco2)on1 38486246 UIAWAUIFIJHNJZ-UHFFFAOYSA-N 376.397 4.563 0 40 GJAB CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(-c4noc(=O)[nH]4)cc3)ccc21 40879574 CYYUVCTYGGLIIB-UHFFFAOYSA-N 391.471 4.631 0 40 GJAB CC(C)CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 44031594 YHUDFHWLXDIVAJ-ZDUSSCGKSA-N 375.419 4.832 0 40 GJAB C[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(F)cc1 44934199 HCCOJDPBBZNPGW-AWEZNQCLSA-N 392.877 4.708 0 40 GJAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCc2cccc(OC(F)F)c21 57363061 AMRLYGUNMSNZPI-UHFFFAOYSA-N 386.320 4.603 0 40 GJAB CCCc1ccc2[nH]c(=O)c(CNc3ccc(OCC)cc3OCC)cc2c1 57710177 QVMIVCQLVSNVKE-UHFFFAOYSA-N 380.488 4.890 0 40 GJAB O=C([C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CC=C(c2ccc(O)cc2)CC1 71886854 DXSLSCHZWQCKOO-MOPGFXCFSA-N 387.401 4.830 0 40 GJAB CC(=O)N1CCc2cc(C(=O)NCC3(c4cccc(C)c4)CCCCC3)ccc21 71932327 QZSUHPSVGYNCET-UHFFFAOYSA-N 390.527 4.536 0 40 GJAB CCc1onc(C)c1-c1nc(NCCc2cccs2)ncc1-c1ccncc1 72342939 HGKJXXSUGZKNLR-UHFFFAOYSA-N 391.500 4.781 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)C12CCCCC2 72400340 HEXKIWIYMPTMJN-QAPCUYQASA-N 397.544 4.823 0 40 GJAB CCOc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1C(C)=O 79047312 ILLZUNOBGKKIGB-SFHVURJKSA-N 387.277 4.545 0 40 GJAB C[C@@H]1CCCCN1C(=O)c1ccnn1-c1ccc2ccc(-c3ccccc3)cn12 96155242 KOTYNTWIWSCOMQ-GOSISDBHSA-N 384.483 4.807 0 40 GJAB COc1ccc(CN[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1Br 98081556 SEDAIMYOSROSQZ-SFHVURJKSA-N 388.309 4.821 0 40 GJAB O=C(OCc1nc2ccccc2o1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102343125 OIHQQUGXPSASLF-NYYJTOMGSA-N 390.277 4.605 0 40 GJAB O=C(CSc1nc2ccccc2o1)N1CCS[C@H](c2cccs2)CC1 219463192 XQFNGEVHXPTSKM-INIZCTEOSA-N 390.555 4.688 0 40 GJAB CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccc(Cl)cc3F)n2)cc1 223353643 RCQMBDFBUPYUOX-UHFFFAOYSA-N 387.842 4.757 0 40 GJAB Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C 223471209 QOMAQQCHUAVEJC-LJQANCHMSA-N 382.523 4.840 0 40 GJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCC 225313187 CFTKHLRMPXWAME-HSZRJFAPSA-N 394.559 4.651 0 40 GJAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1 225618841 NEZYJERPMHGCGS-OAQYLSRUSA-N 398.934 4.831 0 40 GJAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C 225708195 QGAYKUKNQRUGFQ-QGZVFWFLSA-N 381.545 4.786 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CC(c3cc4cccnc4[nH]3)C2)cc1 257276581 NUJIYLINQUPPLR-UHFFFAOYSA-N 383.451 4.528 0 40 GJAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)CCc2ccccc2)nc1 257335742 YLPWBGFSKWKRFA-NRFANRHFSA-N 375.472 4.650 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)CSCc1ccc(Br)cc1 408575523 MGJJZDRLAATYRJ-OAHLLOKOSA-N 392.362 4.820 0 40 GJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C)ccc3OC)ccc21 408589861 FWXJSXCEHHRFST-UHFFFAOYSA-N 394.496 4.932 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 408629358 YORFKUPTCSGDOD-UHFFFAOYSA-N 385.419 4.786 0 40 GJAB Cc1c(F)cccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 408979571 MWFHBJSODACDQS-OAQYLSRUSA-N 376.431 4.634 0 40 GJAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 408999891 SVDXWUXKQGGNPW-HNNXBMFYSA-N 388.423 4.839 0 40 GJAB CCN(Cc1cc(C)c(OCc2ccc(C)cc2)c(C)c1)C(=O)c1cnccn1 604246878 CWDNZUDJALVCPW-UHFFFAOYSA-N 389.499 4.643 0 40 GJAB COC(=O)c1cc(NCc2cc(Cl)ccc2Oc2ccc(C)c(C)c2)ncn1 1612827678 RHWJVZHLOIEGKN-UHFFFAOYSA-N 397.862 4.938 0 40 GJAB COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)cc2c1 1248737 FGCSYXAHABEPBX-NRFANRHFSA-N 393.874 4.903 0 40 GJAB Cc1ccc(C(=O)CSc2nnc3c4ccccc4nc(C(C)C)n23)cc1 1327739 SLFJJJPYCMPDQO-UHFFFAOYSA-N 376.485 4.684 0 40 GJAB Cc1nc(C(=O)Nc2ccc(Cl)cc2)nn1-c1cc(Cl)ccc1Cl 3111141 QNAZDMPVJDFGOX-UHFFFAOYSA-N 381.650 4.788 0 40 GJAB COc1cccc(NC(=O)[C@@H](OC(=O)c2sccc2C)c2ccccc2)c1 3325584 SFZCVKRWBXDZLM-SFHVURJKSA-N 381.453 4.602 0 40 GJAB CCOP(=O)(OCC)[C@](C)(CC)OC(=O)C(C(F)(F)F)C(F)(F)F 4207799 CJWCVAQBXDCALN-SNVBAGLBSA-N 388.241 4.663 0 40 GJAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)cc1OC 4353939 IYEJSYLTAQQPSC-UHFFFAOYSA-N 396.443 4.687 0 40 GJAB C[C@H](NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 4846830 AEVGVYCDNMQEQY-IBGZPJMESA-N 387.479 4.629 0 40 GJAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1cccc(F)c1 5151039 BCKNYLRTWVRYAH-SSPYTLHUSA-N 397.490 4.733 0 40 GJAB COc1cccc(-c2c(NC(=O)c3cccs3)n(C)c3ccccc3c2=O)c1 5270464 HHXCDGOWKGVGAQ-UHFFFAOYSA-N 390.464 4.528 0 40 GJAB CCn1c(NC(=O)c2ccco2)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 5422677 AFZSJCSQOSBONK-UHFFFAOYSA-N 388.423 4.542 0 40 GJAB CCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5428287 FOEWOVDSUXQZCV-PXSONHPJSA-N 386.532 4.799 0 40 GJAB COC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 5736362 XMRGTBGVYGIVHE-ZDUSSCGKSA-N 387.892 4.550 0 40 GJAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc2ccccc2c1 5905783 DZBQFNUAPCIDJY-UHFFFAOYSA-N 386.451 4.826 0 40 GJAB C[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 6013209 GNMUJZSOSKMJJY-ZELAZJAISA-N 385.463 4.537 0 40 GJAB O=C(NC1CC1)[C@@H](Oc1ccc(Br)cc1Cl)c1ccccc1 6988850 WGNDPNBLCKEONR-INIZCTEOSA-N 380.669 4.501 0 40 GJAB CCn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1C1CC1 7618634 ITGHDDZGHCQVNA-UHFFFAOYSA-N 384.549 4.633 0 40 GJAB CCn1nnc2cc(C(=O)Nc3nc(-c4cc(C)c(C)cc4C)cs3)ccc21 7756477 YULQDVOWKJTLTH-UHFFFAOYSA-N 391.500 4.752 0 40 GJAB O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7889506 HHABRLGKBWCFRC-CQSZACIVSA-N 386.904 4.735 0 40 GJAB CCc1ccc([C@@H](CNc2nc(C(F)(F)F)nc3ccccc23)N(C)C)cc1 7989433 MTKWLELVFSBWIP-GOSISDBHSA-N 388.437 4.926 0 40 GJAB CC[C@H](NC(=O)COc1cccc2cccnc12)c1ccc(Br)cc1 8429194 IVUPPAAVWINEKS-KRWDZBQOSA-N 399.288 4.644 0 40 GJAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 8606844 UZAQETYODIEMAN-CQSZACIVSA-N 395.550 4.681 0 40 GJAB COc1ccc2sc(N(Cc3ccncc3)C(=O)c3cccs3)nc2c1 10254263 IEGBRHZXEGMTRO-UHFFFAOYSA-N 381.482 4.608 0 40 GJAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)c(Cl)c1Cl 10543890 DOUMLGJCHQVANT-LBPRGKRZSA-N 388.316 4.658 0 40 GJAB COc1ccc2oc(-c3csc(NC(=O)Cc4ccc(F)cc4)n3)cc2c1 10883748 GLUYYNOOUCCIBY-UHFFFAOYSA-N 382.416 4.885 0 40 GJAB Cc1cc(-c2cc(C(=O)Nc3ccc(F)cc3F)c3c(C)noc3n2)c(C)o1 11650008 HSBBLVLKQMQYCX-UHFFFAOYSA-N 383.354 4.939 0 40 GJAB Cc1cc(NC(=O)CCSCc2coc(-c3ccc(Cl)cc3)n2)no1 12915626 RAYZYZXPIJYCEC-UHFFFAOYSA-N 377.853 4.553 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 12976419 XSHQWODARKFKDN-HTAPYJJXSA-N 389.499 4.856 0 40 GJAB CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1Cl)O[C@H](C)C2 12995311 DCVCNJPBNROPEF-LLVKDONJSA-N 396.270 4.733 0 40 GJAB CCn1nc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1C 13703183 BVHPDLJAOFQIGL-UHFFFAOYSA-N 381.288 4.894 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3nc(-c4ccccc4)cs3)c12 14179757 AUIOTTZXTJOMLD-UHFFFAOYSA-N 376.441 4.784 0 40 GJAB CSc1ccc(CN(C)Cn2[nH]c(/C=C/c3ccc(C)o3)nc2=S)cc1 14185988 LHCXXUIZKLLXBY-DHZHZOJOSA-N 386.546 4.824 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 14575059 MFPTZLAOLYJONZ-LBPRGKRZSA-N 389.833 4.662 0 40 GJAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3CN3CCCC3)c12 19714746 JKGIAYXXFFQNOB-UHFFFAOYSA-N 378.476 4.503 0 40 GJAB CCOc1cc2c(cc1OCC)C1CN(C2)Cc2cc(OCC)c(OCC)cc21 20506999 CXEQPPGIBOHXJA-UHFFFAOYSA-N 397.515 4.743 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1Cl 20528661 IOHKYUOPNLIQHW-UHFFFAOYSA-N 382.243 4.820 0 40 GJAB CCCc1nnc2sc(-c3ccc(NC(=O)c4cc(C)cc(C)c4)cc3)nn12 20609715 VMGRMTWQTWOVFM-UHFFFAOYSA-N 391.500 4.674 0 40 GJAB CCSc1nc2nc(-c3ccc(F)cc3)cc(-c3cc(F)cc(F)c3)n2n1 20800323 SOZWCQGWUAXCEZ-UHFFFAOYSA-N 386.402 4.988 0 40 GJAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2cccs2)cc1 22131691 ASQHTQYXINGXFD-SFHVURJKSA-N 384.545 4.529 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@H](C)Sc2ccccc21 22257566 PPBHOYLIHDWXRA-INIZCTEOSA-N 391.540 4.949 0 40 GJAB O=C(NCc1cccs1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 22504923 LUGXHGRSQJUSEP-UHFFFAOYSA-N 391.496 4.663 0 40 GJAB CCOc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 24251117 KGFNSKITZAGWJM-UHFFFAOYSA-N 393.340 4.681 0 40 GJAB c1ccc(C(c2ccccc2)N2CCN(c3ncnc4sccc34)CC2)cc1 25719022 VPFQDXHNGXOSQX-UHFFFAOYSA-N 386.524 4.603 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)no1 27852021 FFIKGRLZGYINAS-QWHCGFSZSA-N 399.438 4.521 0 40 GJAB O=S(=O)(Cc1ccccc1)Oc1ccc2c(-c3ccc(F)cc3)noc2c1 32101623 CTWRJVVDWHPCIS-UHFFFAOYSA-N 383.400 4.543 0 40 GJAB COc1ccc(CN(C)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1F 40103224 QTDIXTPFKMHCJR-UHFFFAOYSA-N 388.773 4.753 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSCc1cc(=O)c2cc(F)ccc2[nH]1 41108663 AJCAHLLXHOKOOW-UHFFFAOYSA-N 390.867 4.501 0 40 GJAB COc1ccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 44946693 BTUHNOCUEBLGBZ-UHFFFAOYSA-N 393.508 4.796 0 40 GJAB Cc1ccc(Cn2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nnc2=O)cc1 57761791 YDQTXOFHIVDVOA-UHFFFAOYSA-N 389.405 4.607 0 40 GJAB O=C(NCCc1cccs1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58172503 HVOFEUBBBRAIEG-UHFFFAOYSA-N 389.496 4.770 0 40 GJAB CC(C)c1cc(C(=O)Nc2nc(-c3ccccn3)cs2)n(-c2ccccc2)n1 71286845 GAILTYFRSAKXHP-UHFFFAOYSA-N 389.484 4.767 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 95482373 SLAUIKUDNOXPPR-QGZVFWFLSA-N 399.878 4.514 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc12 104068766 RROVAUSODFWSPM-MBGYTDRXSA-N 379.529 4.950 0 40 GJAB COc1cc2c(NCc3ccc(Cl)c(Cl)c3)ncnc2c(OC)c1OC 138865879 IUGNCPJMMRXPHR-UHFFFAOYSA-N 394.258 4.575 0 40 GJAB COc1ccc(CCC(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1 206992814 XVYAMPVQENBONV-FQEVSTJZSA-N 389.948 4.988 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C 222809697 XKWHHZBTOIDQLS-FCHUYYIVSA-N 390.556 4.790 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SC(C)C)s1 222925593 AFYRFHWRJTZIDF-MRXNPFEDSA-N 387.530 4.988 0 40 GJAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 223640831 GUOWLGZHGULIIB-UHFFFAOYSA-N 389.860 4.942 0 40 GJAB S=C(NCc1ccccc1Cl)Nc1ncc(Cl)cc1Br 223931936 WMMDXYMYFUJZIL-UHFFFAOYSA-N 391.121 4.638 0 40 GJAB COc1cccc(OCc2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2OC)c1 224250557 MPYYBFNRKFHMCS-KRWDZBQOSA-N 391.467 4.774 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(CN2CCCCC2)c1 224683031 FYJRYCYXLNLLNJ-DEOSSOPVSA-N 394.559 4.763 0 40 GJAB CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225522782 KIXMDTJGIBMYHI-UHFFFAOYSA-N 386.923 4.731 0 40 GJAB O=C1CCCN1c1cccc(NC(=S)NCCCSC2CCCCC2)c1 225591914 UFWRJGODKROZCF-UHFFFAOYSA-N 391.606 4.556 0 40 GJAB CCSc1ccccc1C(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225731685 UZAYZJQOZLHMAJ-AWEZNQCLSA-N 396.434 4.506 0 40 GJAB COc1ccccc1NC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 225766601 SSAIIYNEKZZNER-INIZCTEOSA-N 389.455 4.830 0 40 GJAB CCCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C(=O)OCC 225810718 NTZVBGMVGCOJBA-UHFFFAOYSA-N 391.508 4.576 0 40 GJAB CCOc1ccccc1N(Cc1ccccc1F)S(=O)(=O)c1ccccc1 408624367 HEMPCMVDIHYPNU-UHFFFAOYSA-N 385.460 4.620 0 40 GJAB O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(c2ccc(F)cc2)CC1 935574 JKDONHOKYDNCIT-UHFFFAOYSA-N 392.858 4.795 0 40 GJAB O=c1ccn(-c2ccc(Cl)cc2)nc1-c1ccnc(-c2ccc(Cl)cc2)n1 1047979 WEWDMOWKXZBOQC-UHFFFAOYSA-N 395.249 4.663 0 40 GJAB Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 1789722 USUXSQILVNWQJI-UHFFFAOYSA-N 385.707 4.911 0 40 GJAB CCOC(=O)C1=C(c2ccccc2)S[C@@H](c2ccccc2)N(C(C)C)C1=O 1869805 FGQVVJOAWZVMSP-NRFANRHFSA-N 381.497 4.643 0 40 GJAB CC1CCN(C(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)CC1 2201930 ORPDRELHJANJCU-UHFFFAOYSA-N 381.863 4.929 0 40 GJAB CC(C)c1nc2sc3c(NCCCN(C)C)ncnc3c2c2c1CCCC2 2248324 PUZOIBKFMPSYMD-UHFFFAOYSA-N 383.565 4.605 0 40 GJAB CCC(CC)COC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2356261 FYORKBXJJPJXDP-UHFFFAOYSA-N 388.471 4.749 0 40 GJAB CN(C)c1ccc([P@](=O)(OCc2ccccc2)[C@@H](O)c2ccccc2)cc1 2374790 OYXXYDUQEOSGFD-AMGIVPHBSA-N 381.412 4.564 0 40 GJAB C[C@H]1C[C@@H](C)CN(Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)C1 3290916 PPHJCAUFCYZVDI-BETUJISGSA-N 387.936 4.783 0 40 GJAB O=C(Nc1cc(C(=O)N2CCc3ccccc32)ccc1Cl)c1cccs1 3400227 SQAWSVOLCZCMLV-UHFFFAOYSA-N 382.872 4.857 0 40 GJAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(C(=O)OC)cc3)n2)cc1 4079592 YOSKGKHBYYYRFB-UHFFFAOYSA-N 396.468 4.638 0 40 GJAB CCc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 4832665 ASXBIRAHFCIYDM-SNDHGLFQSA-N 379.459 4.646 0 40 GJAB O=C(c1cc2c(c3ccccc13)N[C@@H]1CC[C@@]2(C(F)(F)F)O1)C(F)(F)F 4941467 SCSRDRBCRJULEL-SWLSCSKDSA-N 375.268 4.904 0 40 GJAB C[C@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 5366150 ZYWDEBPHUOMVMF-AWEZNQCLSA-N 394.858 4.512 0 40 GJAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(OCC)cc3)o2)cc1 5391805 VMGNGWGFQSDHOO-CQSZACIVSA-N 398.484 4.898 0 40 GJAB COc1ccc(C)cc1Nc1nc(Cl)nc(Nc2cc(C)ccc2OC)n1 5570792 PRLOSWCIOCMHIK-UHFFFAOYSA-N 385.855 4.646 0 40 GJAB COc1ccc(-c2c[n+](-c3ccc(Br)cc3)c3n2CCCCC3)cc1 5744906 ORXIUIGRGHMYNF-UHFFFAOYSA-N 398.324 4.929 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c1 6473087 BOEZSOKNFKKQOY-UHFFFAOYSA-N 392.484 4.576 0 40 GJAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 6479853 NCVYKUTYWUDDFP-UHFFFAOYSA-N 399.899 4.875 0 40 GJAB Cc1ccc(C)c(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 6789462 DXBACQUPIOTPBO-UHFFFAOYSA-N 377.415 4.691 0 40 GJAB Cc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c(Cl)c1 7389604 ZXBDSGSJSKCEHC-UHFFFAOYSA-N 377.831 4.782 0 40 GJAB CCOc1cccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 8159019 XNLUPYXUACWMFW-QGZVFWFLSA-N 388.467 4.829 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N3CCCCCC3)s2)cc1Cl 8185425 ZSHSKLYSJJSLQF-UHFFFAOYSA-N 396.969 4.738 0 40 GJAB CN(C)[C@@H](CNC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccco1 8342615 YOYBJHGULINOCU-IBGZPJMESA-N 398.890 4.545 0 40 GJAB COc1ccc(Nc2nc(Nc3ccc(Cl)cc3C)nc3nccnc23)cc1 9074484 IUELRRKPUUBAOB-UHFFFAOYSA-N 392.850 4.877 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)[nH]2)cc1 9199422 IXTGQYPHJSVKID-UHFFFAOYSA-N 384.480 4.639 0 40 GJAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N1CCCCCC1 10015209 WNNGREMOELGISY-UHFFFAOYSA-N 388.537 4.538 0 40 GJAB CCc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc4nccnc4c3)C2)cc1 12420953 QCCBYUBBOXEWPX-JOCHJYFZSA-N 396.450 4.777 0 40 GJAB C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)c1nc(C(C)(C)C)no1 12872307 GFAQYOIYTCDTCP-SNVBAGLBSA-N 393.513 4.823 0 40 GJAB CC(C)c1nc2oc3c(=O)n(CCc4ccccc4)cnc3c2c2c1CCCC2 13734272 IAKOIWVMSLCOIC-UHFFFAOYSA-N 387.483 4.783 0 40 GJAB CCCn1c(SCC(=O)Nc2nc(C)cs2)nc2cc(Cl)ccc21 14095014 IXZUMKUTNORQGF-UHFFFAOYSA-N 380.926 4.595 0 40 GJAB CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(=O)c1ccccc1F 15525589 UCTQRLVTAIGZBV-UHFFFAOYSA-N 399.443 4.992 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 15832083 OSLCNSLBIUZCCE-LJQANCHMSA-N 382.435 4.531 0 40 GJAB O=C(c1cccc(Cn2cccn2)c1)N1CCc2sccc2[C@@H]1c1ccccc1 19370050 CMXJVOKRYUFDIY-QHCPKHFHSA-N 399.519 4.781 0 40 GJAB Cc1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4cccs4)C3)noc2n1 19568926 VZPIWNOSGGDOGE-GFCCVEGCSA-N 381.423 4.991 0 40 GJAB O=C(Nc1ccc(OC[C@@H](O)c2ccccc2F)cc1)c1ccccc1Cl 27212298 NCPFPFMMAFHMGS-HXUWFJFHSA-N 385.822 4.844 0 40 GJAB Fc1cccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCCC3)n2)c1 27643122 UZDCUGUWCTYTOW-UHFFFAOYSA-N 384.846 4.752 0 40 GJAB Cc1ccccc1CSc1nc(=O)n(CCc2ccccc2)c2c1CCC2 27994305 CBWYOUXNADEXOA-UHFFFAOYSA-N 376.525 4.575 0 40 GJAB CC(=O)c1sc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)nc1C 28047652 YNBKQDMSFBXXET-UHFFFAOYSA-N 378.519 4.503 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)c1 28303684 ILKGUWRSVSRTPD-UHFFFAOYSA-N 375.856 4.698 0 40 GJAB CSc1nc(C)c(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)s1 32891590 DAKRBUGRTPKNJM-UHFFFAOYSA-N 378.853 4.609 0 40 GJAB COc1ccc(OC)c(Nc2c(-c3ccccc3O)nc3ccc(C)cn23)c1 35622389 MYODUFDENYHNCO-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB O=c1[nH]c(-c2cccc(OC(F)(F)C(F)F)c2)nc2sc3c(c12)CCCC3 36611427 HMRAKIXSHITEPA-UHFFFAOYSA-N 398.381 4.767 0 40 GJAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccc3c(c2)C[C@@H](C)O3)s1 36740435 FYSAMFPDTHJFEK-QGZVFWFLSA-N 381.545 4.669 0 40 GJAB O=C(NCc1ccc(F)c(Cl)c1)c1cc(-c2cccc3ccccc23)[nH]n1 44839283 MUYFRPINIVMXEV-UHFFFAOYSA-N 379.822 4.952 0 40 GJAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1cccc(Br)c1 45889004 YXYVYMYJTLOIES-UHFFFAOYSA-N 376.279 4.510 0 40 GJAB Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c1 57487229 FHRJHYVKQLFRCB-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC(C)CC4)cc3)cc2c1 57712771 ZBIDQNJBZNLZBD-UHFFFAOYSA-N 391.515 4.775 0 40 GJAB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(C(=O)/C=C/c2cccc(F)c2)c2ccccc21 58156988 AZZXXUGEKOQVPT-IXDLDKCJSA-N 394.490 4.663 0 40 GJAB CNC(=O)c1cccc(Oc2nc(C3CC3)nc3sc4c(c23)CCCC4)c1 58168021 IMBBRNUFHVMZAW-UHFFFAOYSA-N 379.485 4.599 0 40 GJAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)C1(c2ccc(Cl)cc2Cl)CCOCC1 67516522 YPKXMTSUBDLWLO-VQIMIIECSA-N 390.310 4.714 0 40 GJAB COc1cc(NC(=S)Nc2ccc(F)cc2Cl)c(OC)cc1Cl 71761758 OQRLQBDJHZMODE-UHFFFAOYSA-N 375.252 4.959 0 40 GJAB O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72358201 FTCPJURZQXMENP-HSZRJFAPSA-N 390.458 4.554 0 40 GJAB O=C(c1ccncc1)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396364 IERCESQGAHKENY-LJQANCHMSA-N 382.467 4.645 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc2[nH]c(=S)oc2c1 79111952 IXXGFEMDTLUBAT-UHFFFAOYSA-N 398.875 4.949 0 40 GJAB Cc1nc(N2CCC[C@H]2c2nc3ccccc3s2)c2cnn(C(C)(C)C)c2n1 84287002 AGRYOJNILDIWAD-INIZCTEOSA-N 392.532 4.841 0 40 GJAB O=S(=O)(c1ccc(N[C@H](c2ccccc2)c2ccccn2)cc1)C(F)(F)F 89827647 UAVLRTPTIZCQCT-GOSISDBHSA-N 392.402 4.577 0 40 GJAB CCn1ncc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1C(F)(F)F 95957904 SMUSJSCPILLXIX-UHFFFAOYSA-N 394.422 4.914 0 40 GJAB CCN(C(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1)C(C)C 96155436 FOJYSZLTGPCGHE-UHFFFAOYSA-N 390.462 4.802 0 40 GJAB COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@@H](c3cccs3)CC(O)=C21 102754473 CCSNQPQREKKEIN-ZMZPIMSZSA-N 394.456 4.769 0 40 GJAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCS[C@H](c2ccccc2Cl)CC1 206991482 XDDZQXZOZZPMGZ-SFHVURJKSA-N 387.892 4.644 0 40 GJAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(Cl)cc2Br)c1 218854867 CKPYWRCOTVCKKD-ZDUSSCGKSA-N 396.712 4.976 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)ccc1Cl 222896915 TWJBSHCRMPTSDG-LJQANCHMSA-N 389.879 4.875 0 40 GJAB CC[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc2c(c1)CCCC2 223089902 FRPMHWLJQHDBMF-HSZRJFAPSA-N 390.527 4.569 0 40 GJAB CCCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224224511 TZHGTTCKFRILHM-QFIPXVFZSA-N 394.559 4.650 0 40 GJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 224858618 KGZVTTAOAQWORR-ZWKOTPCHSA-N 385.876 4.519 0 40 GJAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCC2)cc1 224917428 AUTXMBALKVBJKO-UHFFFAOYSA-N 385.316 4.536 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(SCC(C)C)s1 225283618 MWIJDBWOMAXTIU-CQSZACIVSA-N 379.551 4.699 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccnc(-c2cccs2)c1 225651905 DYNBDVODGWEPSE-UHFFFAOYSA-N 393.295 4.812 0 40 GJAB CC(C)Oc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)c2ccccc12 225924701 ZVYJFSBADJDFHI-UHFFFAOYSA-N 386.492 4.869 0 40 GJAB O=C(CSCc1ccccc1)Nc1ccccc1-c1cn2c(n1)SCC2 240067887 SDGLOJOJCDFUFU-UHFFFAOYSA-N 381.526 4.528 0 40 GJAB Cc1cccc(N2CCN(C(=O)/C(=C/c3ccco3)c3ccccc3)CC2)c1C 408563779 PLUCZTRVJRMWIK-PTGBLXJZSA-N 386.495 4.786 0 40 GJAB CCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c1 408628774 XHQJKWQZXPUUEI-UHFFFAOYSA-N 399.299 4.615 0 40 GJAB Cc1ccc(-c2nn(CC(=O)Nc3ccc4ccccc4c3)c(=S)o2)cc1 409164162 DJCUNUZHHMVBCH-UHFFFAOYSA-N 375.453 4.973 0 40 GJAB COc1cc(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1O 409215903 BZFOVCKOSUEROH-MKMNVTDBSA-N 396.251 4.949 0 40 GJAB COCCCN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)o2)C1=O 409251082 SXUQZGQRZKHCBO-NTCAYCPXSA-N 375.471 4.504 0 40 GJAB Cc1ccc(-c2cnc(CN(Cc3ccc(F)cc3)C3CCOCC3)o2)cc1 585082888 GVKUCMIUHWHSRR-UHFFFAOYSA-N 380.463 4.970 0 40 GJAB O=C(Cc1cscn1)Nc1cccc(C2CCN(Cc3ccccc3)CC2)c1 585110725 ICIBXWQZLWMBDH-UHFFFAOYSA-N 391.540 4.704 0 40 GJAB COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Cc2cnccc2C)c1 613439312 XECOVPCVRMYGPD-ZCYQVOJMSA-N 386.495 4.699 0 40 GJAB C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@H]2CC[C@@H](Nc3ccccn3)CC2)C1 1544753088 ZOUNOJLIETYYOF-JYWFKMLOSA-N 381.495 4.801 0 40 GJAB CSc1ccc(CN2[C@H]3CC[C@H]2CC(n2cc(Br)cn2)C3)cc1 1888867053 HKAINVXZJNKBSI-HOTGVXAUSA-N 392.366 4.736 0 40 GJAB CN(C)C(=O)N[C@H](Oc1ccc(Cl)c2ccccc12)C(Cl)(Cl)Cl 825914 UOYLOQXCDYQJNB-CYBMUJFWSA-N 396.101 4.840 0 40 GJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(C)cc1C 949589 KDFRIWSMUXJYPE-UHFFFAOYSA-N 378.428 4.559 0 40 GJAB COc1ccc(-c2ccnc(SCC(=O)c3ccc(Cl)s3)n2)cc1 1028763 QDZKDMLIHUOMCS-UHFFFAOYSA-N 376.890 4.842 0 40 GJAB COc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1OC 2225691 UYJMBTWVBPDXPY-UHFFFAOYSA-N 382.423 4.653 0 40 GJAB CCCCCC(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 2273721 KNCJCDJSWFXAAO-OALUTQOASA-N 380.532 4.938 0 40 GJAB CCCSc1nc(NCCCOCC)c2c3c(sc2n1)COC(C)(C)C3 2425980 HUFRASVYSYKLAP-UHFFFAOYSA-N 395.594 4.883 0 40 GJAB CCn1cc(CNC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)c(C)n1 2770005 YIAJOFCUXMLRJS-UHFFFAOYSA-N 384.483 4.665 0 40 GJAB Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1 2779346 GZMPLHYQWQVZMK-UHFFFAOYSA-N 396.450 4.685 0 40 GJAB Cc1cccc(N2CCN(C(=O)CSCc3ccccc3Cl)CC2)c1C 2965065 MQXFUWKFCMHUIM-UHFFFAOYSA-N 388.964 4.539 0 40 GJAB Cc1ccccc1OCCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 2991061 CBMMYHTWNHELCM-OQKWZONESA-N 399.446 4.797 0 40 GJAB C[C@H]1CCc2sc(C(=O)OCC(=O)c3ccc(Br)s3)cc2C1 3380949 UUXFNZUNQHSRQS-VIFPVBQESA-N 399.331 4.737 0 40 GJAB Clc1ccccc1NCc1ccccc1Oc1nnnn1-c1ccccc1 3440143 KWPNDPWECUENCS-UHFFFAOYSA-N 377.835 4.720 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCc1ccccc1 3452100 CGRORWYCNVUCNL-UHFFFAOYSA-N 388.298 4.519 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3ccc(Br)o3)sc2C)cc1 3554314 XALLOOWXBPDZTD-UHFFFAOYSA-N 393.262 4.735 0 40 GJAB Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc(Cl)nc1 4063079 OMMHEZGLRDVPDB-UHFFFAOYSA-N 380.860 4.967 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCCC2 4611655 OJPOMHMZIPDBHR-LZWOXQAQSA-N 375.534 4.959 0 40 GJAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 5015158 KFEIVDHXAOEHIX-UHFFFAOYSA-N 390.464 4.884 0 40 GJAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)cc1 5163266 YPPJZKUHUKOMQJ-IBGZPJMESA-N 397.478 4.614 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc3ccccn23)c2ccccc2)c1 6903611 PWWGMAVRCYTWJJ-FQEVSTJZSA-N 388.496 4.818 0 40 GJAB CCC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 7462855 UAOORMCLOPRBGW-ZDUSSCGKSA-N 385.847 4.935 0 40 GJAB Cc1ccc(F)cc1NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 7981724 BOMBEWGNOPCKNY-UHFFFAOYSA-N 397.427 4.551 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@H](C)c3cccnc3)c2n1 7988005 FSBGLORWSSHVSP-GFCCVEGCSA-N 390.270 4.501 0 40 GJAB O=C(COc1ccc(Cl)c2ccccc12)Nc1cccc(N2CCCC2=O)c1 8231968 NVNAVMCPJNWKFV-UHFFFAOYSA-N 394.858 4.638 0 40 GJAB Cc1[nH]c(SCC(=O)N2CCC[C@@H]2c2cccs2)nc1Cc1ccccc1 8342620 MPGAASODVZOSME-GOSISDBHSA-N 397.569 4.826 0 40 GJAB Cc1ccc(C)c(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCCC2)c1 8410758 DJDARJWQDUUOQC-UHFFFAOYSA-N 392.499 4.736 0 40 GJAB COc1ccc(CN(C(=O)Cc2csc(-c3ccc(C)cc3)n2)C2CC2)cc1 8751595 YLMDEZPDCHINIZ-UHFFFAOYSA-N 392.524 4.861 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1Br 9332947 LXFBPTRZNAWNDG-UHFFFAOYSA-N 389.274 4.834 0 40 GJAB C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1cnc2ccccc2n1 10025227 CTXYRDVHIOYVCX-QGZVFWFLSA-N 387.508 4.965 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2cc(Cl)ccc2o1 11084034 KNVRCYPNUYXEKP-UHFFFAOYSA-N 379.847 4.603 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)OCc3cc(-c4ccco4)on3)o2)cc1 11646827 NDYWPMSVAFPPIS-UHFFFAOYSA-N 378.384 4.574 0 40 GJAB CSCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12795690 DDIJWRLXGWDGGU-LJQANCHMSA-N 383.513 4.688 0 40 GJAB CCc1ccc([C@H](NCc2cc(=O)n3cc(C)ccc3n2)c2cccs2)cc1 12803249 PGBHIRRYWRJUBC-QHCPKHFHSA-N 389.524 4.506 0 40 GJAB CCCCc1ccc(-n2c([C@@H]3C[C@@H]3C)nc3cc(OC)c(OC)cc3c2=O)cc1 12950253 XNAKTJWPYDUPDP-MAUKXSAKSA-N 392.499 4.869 0 40 GJAB Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 13633270 ANYDFMFYKWMFBM-GOSISDBHSA-N 388.467 4.962 0 40 GJAB Brc1cccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)c1 13724417 GGHDCILHSRKUCI-UHFFFAOYSA-N 396.273 4.764 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccc(Cl)cc1 16263109 SROKTFRFOFPDAZ-GOSISDBHSA-N 399.878 4.947 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20143986 IUSDCBOHCMUTBG-UHFFFAOYSA-N 379.456 4.754 0 40 GJAB CC(=O)Nc1cc(NCC(=O)Nc2ccccc2-c2ccccc2)ccc1F 24362955 HMMZKWIJSPCUGB-UHFFFAOYSA-N 377.419 4.502 0 40 GJAB Cc1ccc(OCc2nc(CC(=O)N(C)[C@@H](C)c3ccccc3)cs2)cc1 25615614 WRPOFHPHXDALCK-KRWDZBQOSA-N 380.513 4.793 0 40 GJAB CCc1ccc2oc(C(=O)N(Cc3ccco3)Cc3ccc(C)o3)cc(=O)c2c1 28251452 WLHCNLQDEKQBAT-UHFFFAOYSA-N 391.423 4.692 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCc2ccccc21 29482875 FOZCVZSYQCAHBM-KRWDZBQOSA-N 382.813 4.917 0 40 GJAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 32744586 YSAPXPCKEGTOTR-UHFFFAOYSA-N 397.906 4.709 0 40 GJAB C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1cccc(F)c1 32753111 ACCABHSMSZTRDV-HNNXBMFYSA-N 392.434 4.909 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1cc(F)cc2c1OCOC2 32836500 ZVESNSXCLFNGBT-VMPITWQZSA-N 385.435 4.650 0 40 GJAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 32926695 ZVCVLMSTAFGQJM-ZIAGYGMSSA-N 389.293 4.755 0 40 GJAB Cc1ccc(-c2noc(SCC(=O)c3ccc(OC(F)F)cc3)n2)cc1 35682847 LZHXJONNOPPYNR-UHFFFAOYSA-N 376.384 4.621 0 40 GJAB CCc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1 36616819 ZLPJBUNUDYJLHY-UHFFFAOYSA-N 388.446 4.991 0 40 GJAB COc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 39860656 XQZTYUHQPPDAIH-SXGWCWSVSA-N 375.833 4.598 0 40 GJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)Cc1ccc2c(c1)CCCC2 40057817 CKOBNUKBAZODBL-UHFFFAOYSA-N 383.442 4.511 0 40 GJAB Cc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc23)cc1C 44169675 DRIPWPZNQLWHBF-UHFFFAOYSA-N 377.513 4.784 0 40 GJAB C[C@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1ccc2ccccc2c1 47048598 MCMOVLQDKPIJRR-LBPRGKRZSA-N 375.453 4.642 0 40 GJAB CC1(C)Oc2ccc(NC(=O)c3ccccc3SC[C@H]3CCCO3)cc2O1 47254749 KOECJNDFBXBODG-OAHLLOKOSA-N 385.485 4.717 0 40 GJAB COC(=O)c1sc2nc(C)nc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2c1C 48277225 WBDFCIRTOPFTQG-GHMZBOCLSA-N 387.427 4.628 0 40 GJAB Fc1cccc(Cl)c1CN1CCC(c2nnc(-c3ccco3)s2)CC1 49363163 UWUNIXPTPOTFKJ-UHFFFAOYSA-N 377.872 4.970 0 40 GJAB C[S@](=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1 53726138 GLGJLIFAASEXKX-SKCUWOTOSA-N 389.476 4.690 0 40 GJAB Cc1cc(NC(=O)[C@H](C)Nc2cccc(-c3nc4ccccc4s3)c2)no1 69709564 JDFKLAUFDZQBOM-ZDUSSCGKSA-N 378.457 4.699 0 40 GJAB Cc1ccc(-c2nc3cc(Br)c(N)c(Br)c3o2)cc1 70461288 MCVICDPNIOSWNZ-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(C)c(C)c1 82086731 QSPJSOYHEKNLFR-QHCPKHFHSA-N 391.515 4.806 0 40 GJAB Cc1cc(Sc2ncccn2)ccc1NC(=O)/C=C/c1c(F)cccc1F 89589039 XDJPPWQHXCPMTJ-VQHVLOKHSA-N 383.423 4.866 0 40 GJAB CC(C)[C@@H](Nc1nn2cc(C(C)(C)C)nc2s1)c1ccc2c(c1)OCCO2 95360851 NBSOSZYBYBASNZ-QGZVFWFLSA-N 386.521 4.669 0 40 GJAB CC(C)n1cnc2c(N3CCCC3)nc(C3CCN(Cc4ccoc4)CC3)cc21 96099992 CTIBSEXDESSTSG-UHFFFAOYSA-N 393.535 4.585 0 40 GJAB CCOc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OCC(C)C 97987508 UGGDNOSQAWCIIJ-XDHOZWIPSA-N 379.456 4.773 0 40 GJAB Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)Cc3ccccc3Cl)n2)cc1 98212193 CMRHBNJZCROIMO-SFHVURJKSA-N 381.863 4.605 0 40 GJAB Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C(=S)Nc2ccccc2)cc1 100426825 HRFSDFIQOUMVGP-SFTDATJTSA-N 393.556 4.507 0 40 GJAB Cc1ccccc1[C@H]1C=C(c2ccc(Cl)cc2OC(F)F)Nc2ncnn21 102800008 MOJRTBHTQRBFDA-MRXNPFEDSA-N 388.805 4.897 0 40 GJAB COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@H](c3ccccc3)CC(O)=C21 102836401 QDHZAFKNLXOYNA-VBKZILBWSA-N 388.427 4.707 0 40 GJAB Cc1cccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2)c1 102970690 HTVLDVUTEZBAJU-VIDBFQSPSA-N 382.463 4.961 0 40 GJAB C[C@H](NC(=O)CSCc1ccccc1Br)[C@H]1C[C@H]2CC[C@H]1C2 108842179 FUQCFIAXZNMTAB-RZLSGREXSA-N 382.367 4.623 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3C(=O)[C@@H](O)[C@@]21C 118922761 VRBYSRPMDFKSTP-VIGNVMLZSA-N 390.564 4.686 0 40 GJAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COCc1ccccc1 224461045 SRWLDJSKYYBBLB-UHFFFAOYSA-N 383.394 4.943 0 40 GJAB Cc1ccccc1-c1noc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)n1 225340937 BPRXGPQXMGCXIS-UHFFFAOYSA-N 390.270 4.601 0 40 GJAB CC[C@@H](CNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)Cc1ccccc1 225632073 XAMICSVDEBQCTF-CQSZACIVSA-N 390.936 4.682 0 40 GJAB OCc1ccccc1CN(Cc1cnn(C2CCCC2)c1)c1ccc(F)cc1 257298315 RLEATBJDGTWBCA-UHFFFAOYSA-N 379.479 4.836 0 40 GJAB O=C(c1ccccc1-c1ccccc1)N1CC[C@H](N2CCc3ccccc3C2)C1 408606591 IVXMRAYXBKEWJU-QHCPKHFHSA-N 382.507 4.626 0 40 GJAB O=C(CCCCc1nc2ccccc2s1)Nc1ccc(-n2ccnc2)c(F)c1 517474880 UAHDTECNVJGQCZ-UHFFFAOYSA-N 394.475 4.973 0 40 GJAB O=C(c1cccc(Nc2ncccn2)c1)N1CC2(CCCC2)c2c(F)cccc21 623724356 WDKREQZHVMZYKB-UHFFFAOYSA-N 388.446 4.832 0 40 GJAB O=C(Nc1cccc(C2CCOCC2)c1)N[C@H](Cc1ccccc1)c1ncco1 626878381 TZWDCLVPCCORIV-OAQYLSRUSA-N 391.471 4.674 0 40 GJAB CC(C)CCNC(=O)c1ccc2c(c1)Cc1cccc(c1)CNCCCCCO2 643584109 TVJDFXRNTUOCMA-UHFFFAOYSA-N 394.559 4.706 0 40 GJAB CC(C)C[C@@H](NC(=O)N1CCC12CCOCC2)c1cccc(C(F)(F)F)c1 683414704 ARVUXOUKZVBEQK-QGZVFWFLSA-N 384.442 4.757 0 40 GJAB Cc1cc(OCCOc2ccc(Br)cc2C(=O)O)cc(C)c1Cl 2037879365 RGJJPTNYQPZARK-UHFFFAOYSA-N 399.668 4.875 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)CSc3ccccc3)CC[C@@H]2N1c1cccc(F)c1 2037978471 XZLOOAPJWBWDFK-UTKZUKDTSA-N 398.547 4.824 0 40 GJAB COc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(Cl)cc1 663000 SYTAGTZWFQGJSL-UHFFFAOYSA-N 377.893 4.739 0 40 GJAB COc1ccc(OC)c(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)c1 1342832 MKQPQOCQUBBTIC-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB COc1cccc2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12 1509884 PBGWZYORHVGCGB-UHFFFAOYSA-N 388.448 4.788 0 40 GJAB CCCCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1839423 VBGVVZMTKCKDDS-UHFFFAOYSA-N 387.471 4.699 0 40 GJAB CCCCCOC(=O)COc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 1904864 INTUCUIERWENQE-UHFFFAOYSA-N 396.439 4.581 0 40 GJAB COc1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1 2211283 QSCWQOIJNHRBTC-UHFFFAOYSA-N 377.256 4.835 0 40 GJAB CCN(CC)c1ccc2cc(-c3nnc(Nc4ccccc4)s3)c(=O)oc2c1 2269993 QNETXKXUSKHMMF-UHFFFAOYSA-N 392.484 4.901 0 40 GJAB biogenic C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)c1ccc(Br)cc1 3284523 PSYOTANTIZMOKB-NSHDSACASA-N 389.274 4.863 0 40 GJAB Cc1cccc(Cn2cc(SCC(=O)NCc3ccco3)c3ccccc32)c1 4059686 GUBHYSKUXOZPBL-UHFFFAOYSA-N 390.508 5.000 0 40 GJAB O=C(c1c(F)cccc1F)N1CCN=C1SCc1c(F)cccc1Cl 4120160 GWJIAVWCYGZRRQ-UHFFFAOYSA-N 384.810 4.503 0 40 GJAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)N1CCCc2ccccc21 4355590 ZMCMBPNKIDQWJR-UHFFFAOYSA-N 395.915 4.869 0 40 GJAB COc1ccc(Cc2nc3ccccc3n2CCOc2ccccc2)cc1OC 4385581 NCNGSHMYGWSWGA-UHFFFAOYSA-N 388.467 4.723 0 40 GJAB CCOc1ccc2nc(SCC(=O)Nc3cccc4ccccc34)[nH]c2c1 4741878 QCNRLLSDDFMXAM-UHFFFAOYSA-N 377.469 4.846 0 40 GJAB CC(=O)Nc1cc2c(cc1Br)Cc1cc(Br)ccc1-2 4934405 VBSBIWSQPMXOAU-UHFFFAOYSA-N 381.067 4.741 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)c1cccn(Cc2cccc(F)c2)c1=O 5268803 UXMODDYUEQPQCR-UHFFFAOYSA-N 391.229 4.595 0 40 GJAB CC(=O)c1ccc(Oc2cc(-c3ccccc3)nc(-n3nc(C)cc3C)n2)cc1 5429410 JIUUZLMIVUXRPE-UHFFFAOYSA-N 384.439 4.941 0 40 GJAB C[C@@]1(c2ccccc2Cl)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O 5472373 XVCVENWFHWBJBJ-SFHVURJKSA-N 395.311 4.553 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 5484075 NDCAGZOTJBAYTJ-INIZCTEOSA-N 376.334 4.555 0 40 GJAB CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC)cc1 5487470 ANKOPGZEAADFNJ-QGZVFWFLSA-N 399.487 4.838 0 40 GJAB Cc1cc(C(=O)COC(=O)c2c(F)cccc2Cl)c(C)n1Cc1ccco1 5872235 CDPBQLHLQDIJFU-UHFFFAOYSA-N 389.810 4.578 0 40 GJAB O=C(COc1ccc(Cl)cc1Br)NC12CC3CC(CC(C3)C1)C2 6220047 OUJWVCBVUSHJGG-UHFFFAOYSA-N 398.728 4.566 0 40 GJAB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OC(C)C 6345903 DEBGSOXIEAYUDZ-ZHZULCJRSA-N 397.496 4.761 0 40 GJAB CCOc1ccc(C(=O)CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 6434107 MTWDRRINZWFRJM-UHFFFAOYSA-N 380.271 4.671 0 40 GJAB CN(C)CCCNCC[C@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 6662240 RBXMWPWASVANNY-UYAOXDASSA-N 381.004 4.635 0 40 GJAB CCOc1ccc(-c2nc(COC(=O)c3cccs3)cs2)cc1OC 6790457 ZFWWJIYWBSXDJJ-UHFFFAOYSA-N 375.471 4.636 0 40 GJAB CN(C)CCSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1 6999584 XCAQXLQYXNFYFG-UHFFFAOYSA-N 382.514 4.667 0 40 GJAB Cc1cc(NC(=O)[C@H](C)Sc2nc(-c3cccs3)nc3ccccc23)no1 7298651 PARFDVYQHIXUOZ-LBPRGKRZSA-N 396.497 4.774 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1sc2cc(F)ccc2c1Cl 7990818 MXKFAZJPCKELEC-CQSZACIVSA-N 392.883 4.854 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 8395553 WWGGCZWCEWPYEM-VIFPVBQESA-N 394.949 4.599 0 40 GJAB O=C(Nc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1)c1ccco1 11534211 UTVDCEXCSUMKSF-UHFFFAOYSA-N 394.858 4.533 0 40 GJAB Cc1cccc(C)c1Nc1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)s1 12528876 MASUMCYBEVBVPM-GASCZTMLSA-N 390.578 4.780 0 40 GJAB O=S(=O)(Nc1ccc(OC2CCCC2)cc1)c1ccc(Br)cc1 13671288 PPIZUHNWABFJBG-UHFFFAOYSA-N 396.306 4.571 0 40 GJAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCC(C)C)CC1=O 13759241 NLENSOBLRDSJSC-KRWDZBQOSA-N 377.488 4.612 0 40 GJAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 14211804 IXHGKMNZQIEQCV-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB O=C1C[C@@H](c2cccc(F)c2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081486 PQOIZUCPWJMCFX-AWEZNQCLSA-N 385.391 4.866 0 40 GJAB COc1cc(NC(=O)c2cc(C(C)C)nc3ccccc23)cc(OC)c1OC 15511244 NDWPNFZWYIOUKY-UHFFFAOYSA-N 380.444 4.636 0 40 GJAB CCOc1ccc(-c2noc(-c3cc(-c4cc(C)ccc4C)n[nH]3)n2)cc1OC 16846833 QDBJDAHNPZMJAB-UHFFFAOYSA-N 390.443 4.818 0 40 GJAB Cc1ccc(CSc2nc3c(c(N4C[C@H](C)O[C@H](C)C4)n2)CCCC3)cc1 18066793 VCOQOZTTXTZUBV-CALCHBBNSA-N 383.561 4.570 0 40 GJAB C[C@H](OCCCNC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1 24841437 SNFPGDKRWVIRPD-HNNXBMFYSA-N 386.542 4.698 0 40 GJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)c1 27993912 CNXSRUPZDMSHIO-KRWDZBQOSA-N 380.513 4.553 0 40 GJAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 28238727 MNLZYWJGEOUJND-SECBINFHSA-N 379.304 4.504 0 40 GJAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(F)c1 32074098 OTGIQPNROCOEFI-MRXNPFEDSA-N 398.825 4.823 0 40 GJAB C[C@@H](NC(=O)CSc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccccc1 32691705 NJWXNRWQVFYROR-SNVBAGLBSA-N 380.300 4.839 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1NC(=O)c1ccccc1F 36709578 FNLZQDKSRDUIDH-UHFFFAOYSA-N 387.414 4.741 0 40 GJAB Cc1ccccc1CN(CCCn1ccnc1)Cc1c[nH]nc1-c1ccccc1 36740161 NNTSSOPOLXZFAI-UHFFFAOYSA-N 385.515 4.674 0 40 GJAB CSc1nccn1-c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 40134516 NINHRLNEFHVPGQ-UHFFFAOYSA-N 377.391 4.865 0 40 GJAB C[C@@H](NC(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1)c1ccc(F)cc1 40149958 RJHHDEHWAANMFN-MRXNPFEDSA-N 380.467 4.551 0 40 GJAB CSc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 44837543 DBQZVNOHOVQEFG-UHFFFAOYSA-N 388.290 4.813 0 40 GJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(Cc1ccccn1)C3 54313351 MTQJQSWQUPQXDI-UHFFFAOYSA-N 384.435 4.516 0 40 GJAB biogenic Fc1ccc(-c2nc(NCc3ccc(Cl)cc3)ncc2-c2ncc[nH]2)cc1 57761936 FJRFNYTVXGDDPS-UHFFFAOYSA-N 379.826 4.938 0 40 GJAB CCCCN(CC)c1ccc(C(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 58166889 HBXVZFXYKUULGV-UHFFFAOYSA-N 383.492 4.532 0 40 GJAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSCc1cccc2ccccc12 58485983 MPORVXBNBCGLBU-INIZCTEOSA-N 390.508 4.837 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(C)c1 59351630 ZKLHBEBVNJFWNL-CABCVRRESA-N 376.294 4.711 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(C)ccc3C)oc12 67293464 LIDLDWMLUQLWTC-LCUIJRPUSA-N 399.450 4.938 0 40 GJAB Fc1cccc(-c2nccnc2[C@H]2CCCN(CCOc3ccccc3)C2)c1 72358887 HFOPKBZKMPQQNG-IBGZPJMESA-N 377.463 4.541 0 40 GJAB COc1ccccc1[C@H]1CC(c2ccco2)=NN1C(=S)Nc1ccccc1 89473546 YCTXIHDXJCKXHX-GOSISDBHSA-N 377.469 4.836 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1 89618509 UOQYSAMZKUSTLT-KRWDZBQOSA-N 389.499 4.601 0 40 GJAB CO[C@@](C)(CNC(=O)C1(c2cccs2)CCCC1)c1cccc(Cl)c1 96392593 GJCWANHXMABOIM-IBGZPJMESA-N 377.937 4.891 0 40 GJAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 118914990 GSSIBIORSPCRIO-JASYKLOUSA-N 376.537 4.704 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219326054 ZFJPCWUZDNVVJM-GOSISDBHSA-N 399.878 4.514 0 40 GJAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccccc2C)cc1C(C)C 223322310 GKMLOTKBPVQSGU-KRWDZBQOSA-N 375.534 4.616 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccc(OC)c(OC)c2)c2ccccc2O1 223445248 YVRJSYUGZYZQRI-XYDKVEKUSA-N 395.499 4.916 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cccc(C)c1C 223945592 DXGCGOGFZUEJDP-QFIPXVFZSA-N 377.484 4.809 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 225412862 BXCQTOJTKKQVJU-DYESRHJHSA-N 384.951 4.992 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1Cl)CC(C)(C)O2 225681062 ANUOBDQWKAMNLC-INIZCTEOSA-N 376.909 4.937 0 40 GJAB COC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OC(C)C 225681292 JPDNSTBQEXQNNT-UHFFFAOYSA-N 399.462 4.850 0 40 GJAB CCOc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 225681571 TVWXFRSOLCJYDB-GOSISDBHSA-N 386.517 4.683 0 40 GJAB COc1ccc(SCCCNC(=S)Nc2ccc(OC)c(Cl)c2)cc1 225802916 LLBQLIQGOHQCPS-UHFFFAOYSA-N 396.965 4.826 0 40 GJAB O=C(O)c1cc(Br)c(OCc2c(Cl)cccc2Cl)cc1O 226346637 GGMLITVBQFZYHN-UHFFFAOYSA-N 392.032 4.739 0 40 GJAB CC(=O)Oc1cc2c(cc1C(C)=O)[C@@H]1CC[C@]3(C)[C@H](OC(C)=O)CC[C@@H]3[C@@H]1CC2 252483598 FFTDLJHPIMGYHN-HBGUSREGSA-N 398.499 4.602 0 40 GJAB C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H](CC[C@@H]4[C@@H]3CC=C3C[C@H](O)CC[C@]34C)[C@@H]1[C@H]2C 253590292 FNIVMUUUMKIEAO-IVQJOIJJSA-N 399.619 4.897 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cn2)C1 257252148 JTSHDHRCISKPQY-GOSISDBHSA-N 382.460 4.561 0 40 GJAB Cc1nn([C@H](C)CC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C 257367427 PVYSYHNIZVVTTF-DLJMMTKUSA-N 379.548 4.848 0 40 GJAB Cc1cccc(OC(=O)c2ccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)c1 408721907 MSPYBROVTQLESQ-DVECYGJZSA-N 391.467 4.530 0 40 GJAB Fc1ccc([C@@H]2C[C@@H]2c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc1 538313297 KFESUESIAIVKNJ-PMACEKPBSA-N 380.419 4.705 0 40 GJAB C[C@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)c1cc(O)nc2ccccc12 1544611847 UQMBXDGMAVCEMP-JOCHJYFZSA-N 398.865 4.970 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cccc(F)c2F)N1c1ccc(F)cc1 1615161675 ZZCGBEXYXKLHAK-OALUTQOASA-N 388.433 4.766 0 40 GJAB CC(C)(CNC(=O)Nc1cccnc1-c1ccc(Cl)s1)CN1CCCC1 1660826976 RWJAFDGCUSZBMT-UHFFFAOYSA-N 392.956 4.707 0 40 GJAB Cc1cc(C)c2cc(C)c3nnc(SCC(=O)N4[C@@H](C)CCC[C@@H]4C)n3c2c1 877198 FPPRQNAKDKIVER-IRXDYDNUSA-N 396.560 4.689 0 40 GJAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cccc(C(F)(F)F)c1 895474 OYIWBYDFTGKPQC-UHFFFAOYSA-N 385.798 4.966 0 40 GJAB Cc1cc(I)ccc1NC(=O)/C=C/c1ccc(Cl)cc1 940154 WPWQDZKWYZTSTB-RUDMXATFSA-N 397.643 4.905 0 40 GJAB COc1ccc(CNC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)cc1 1324339 JZFCQFZETDWQPL-UHFFFAOYSA-N 394.471 4.829 0 40 GJAB Cc1cccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2cccs2)c1 1377774 WBWVGGCUSNNYOF-OALUTQOASA-N 385.602 4.929 0 40 GJAB COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1 1463917 UHDQKMZAGAGHKD-UHFFFAOYSA-N 386.403 4.996 0 40 GJAB biogenic Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccccc1Cl)CC(=O)N2 1509721 NFTJNEYIGOJVBU-JOCHJYFZSA-N 390.870 4.832 0 40 GJAB C[C@H](OC(=O)c1cccc2ccccc12)C(=O)Nc1ncc(Cl)cc1Cl 2652310 KIQKDYMQZQWCKX-NSHDSACASA-N 389.238 4.726 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1ccc(Cl)c(Cl)c1 2707847 BDUJZXAONDGYQP-UHFFFAOYSA-N 376.239 4.833 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(C)Cc3cnn(C)c3C)c3ccccc3n2)cc1C 2769303 DHIKRNYGNBYEOQ-UHFFFAOYSA-N 398.510 4.833 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)Cc3ccccc3)cc12 3216605 IFPPWMOCJFXWLZ-HNNXBMFYSA-N 375.497 4.756 0 40 GJAB O=C(NCCC1=CCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 4572938 JXCVTHIOXDXKIK-SILNSSARSA-N 380.513 4.526 0 40 GJAB COc1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)cc1 4883130 SGSXADHCDGJSNU-SEJPIABJSA-N 397.494 4.542 0 40 GJAB Cc1ccc(SCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 5190735 LOJKUTWTAUPHCH-UHFFFAOYSA-N 398.509 4.621 0 40 GJAB Cc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 5700626 HZOXKVOQOOFYIU-LJQANCHMSA-N 394.858 4.998 0 40 GJAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC1CCCC1 5901560 UQRQEQSVIBONPG-UHFFFAOYSA-N 377.513 4.895 0 40 GJAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 6753169 NJLSGKXQSGULEK-QGZVFWFLSA-N 377.488 4.612 0 40 GJAB COc1ccccc1C(=O)Oc1cc(-c2ccc(F)cc2)c2oc(=O)sc2c1 6809691 AFBAVOIJLSOQKZ-UHFFFAOYSA-N 396.395 4.888 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1 6812344 NGRAREZAWQKWTL-GOSISDBHSA-N 393.487 4.558 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cccc(OC(F)F)c3)n2)cc1 7641368 MNWUUZXWOXQWFP-UHFFFAOYSA-N 376.384 4.672 0 40 GJAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)c1c[nH]c2ccccc12 7799615 LHPCGXBLUJVSKE-CYBMUJFWSA-N 389.484 4.520 0 40 GJAB c1cncc(-c2nc(NCc3ccccc3CN3CCCC3)c3ccccc3n2)c1 8074515 LAAJGAOFKCCECF-UHFFFAOYSA-N 395.510 4.900 0 40 GJAB Cn1ccnc1[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 8215927 VOQZERFHJKSHQB-HSZRJFAPSA-N 399.469 4.597 0 40 GJAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 8986964 JWKMDNAPGJEKKM-UHFFFAOYSA-N 384.785 4.508 0 40 GJAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2)c1 9427546 PXCSOXAOBKTVDR-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB O=C(NCCc1cccs1)c1cn(Cc2ccccc2)nc1-c1ccccc1 9577358 ZHIJDPCIQMNFBD-UHFFFAOYSA-N 387.508 4.632 0 40 GJAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccc(C(C)C)cc3)CC2)cc1 9984237 HWALLSZDGDTURF-AWNIVKPZSA-N 391.511 4.953 0 40 GJAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCOc1ccccc1 11667381 CHFNIWLRHAVLQX-QGZVFWFLSA-N 389.455 4.589 0 40 GJAB Cc1ccc2c(C)c(CCC(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)c(=O)oc2c1 12728891 LMYZGUPKNPKMDW-OAHLLOKOSA-N 399.437 4.840 0 40 GJAB COc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1OC(F)F 12752630 AYCHCTGJTUQQKH-UHFFFAOYSA-N 383.416 4.577 0 40 GJAB COc1ccccc1-c1nnc(SCc2c(C)cc(C)c(C(C)=O)c2C)n1C 12774520 PNIZIXREBFFYRF-UHFFFAOYSA-N 395.528 4.911 0 40 GJAB CC(=O)Nc1ccc(C(=O)N(CCc2ccccc2)Cc2cccs2)s1 12793040 NYQILZPKGCIXIB-UHFFFAOYSA-N 384.526 4.653 0 40 GJAB Cc1ccc(-n2nc(C)c(NC(=O)c3cnn(-c4cccc(C)c4)c3C)c2C)cc1 13012473 VWPNNHBQLPRCME-UHFFFAOYSA-N 399.498 4.852 0 40 GJAB O=C(NCCCc1nc2ccccc2n1C/C=C\c1ccccc1)c1ccco1 13282711 RZPMYBLXOMAZEG-XFFZJAGNSA-N 385.467 4.705 0 40 GJAB COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2)c1 13564307 UIRCWJBGKATVNC-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)Cc3c(F)cccc3Cl)cc2)cs1 14673378 RIAYRJLHBMRQRF-UHFFFAOYSA-N 388.895 4.812 0 40 GJAB COc1cc(C(=O)Nc2ccc(C)cc2Cl)cc(OC)c1Br 15424443 JXBGEVLUQFLLDA-UHFFFAOYSA-N 384.657 4.680 0 40 GJAB CC(C)CNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20714838 NCNQEQCMKMEYDP-JOCHJYFZSA-N 390.527 4.511 0 40 GJAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 23058383 SHXIOOCEDGUAGU-AWEZNQCLSA-N 384.863 4.655 0 40 GJAB O=C(Nc1ccc(Br)c2cccnc12)c1cc(-c2ccccc2)on1 28233407 QMVUSHABLQOGQM-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)c1 30560771 DGEZEASZIOZLOH-LBPRGKRZSA-N 382.287 4.821 0 40 GJAB COc1cccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c1 32609761 ZGXRWGIPUGLKSA-UHFFFAOYSA-N 387.842 4.602 0 40 GJAB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C1CCOCC1 32836691 RQQJNAVEQNRBQM-UHFFFAOYSA-N 393.892 4.610 0 40 GJAB Cc1ccc(SCCSc2nnc(NC[C@H]3CCCO3)s2)cc1C 32931633 QONNSMLKBWBQTF-CQSZACIVSA-N 381.592 4.630 0 40 GJAB CCc1nc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1 33287306 PKPOOCHPXYEJHE-UHFFFAOYSA-N 376.243 4.517 0 40 GJAB CC(C)NC(=O)C1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 33750564 YRJLGDZGJUDOLY-UHFFFAOYSA-N 388.596 4.724 0 40 GJAB CCc1cc(C(=O)N2CCCCC2)c2c(C3CC3)nn(-c3ccccc3F)c2n1 36621700 SCMFFEXMYCXROC-UHFFFAOYSA-N 392.478 4.626 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38835023 OFBHPVSDSYDYFY-CQSZACIVSA-N 381.278 4.983 0 40 GJAB O=c1[nH]c(CSCCc2ccccn2)nc2cc(-c3ccc(F)cc3)sc12 40086344 KPOHTEXFANHJKI-UHFFFAOYSA-N 397.500 4.662 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cn3)c12 40130894 NLDZHYIFYOGSOJ-UHFFFAOYSA-N 383.883 4.673 0 40 GJAB CCCCCc1ccc(NC(=O)Cc2cc(=O)oc3cc(OC)ccc23)cc1 40158110 RJJAUBCFKSDQDR-UHFFFAOYSA-N 379.456 4.716 0 40 GJAB CC(C)CC(=O)Nc1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1 44031235 VRKUJQROXODDJC-UHFFFAOYSA-N 378.476 4.517 0 40 GJAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(OC)cc1 44885543 LCGPPQRCRLOYMY-QGZVFWFLSA-N 388.316 4.573 0 40 GJAB O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)Cc1ccc(F)cc1Cl 45315609 KUEXANICINQRPC-UHFFFAOYSA-N 399.871 4.857 0 40 GJAB O=C(c1ccccc1C(F)(F)F)N1CCC(COCc2ccccc2)CC1 49028699 POPTVBIGROYEDE-UHFFFAOYSA-N 377.406 4.774 0 40 GJAB Cc1nccn1-c1ccc(NC(=O)c2c(Cl)c3ccccc3n2C)cc1F 56110543 PGKDDYIMBMRBKW-UHFFFAOYSA-N 382.826 4.717 0 40 GJAB COc1ccc(CCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC 65090661 KNNWQSDSCXHOQL-UHFFFAOYSA-N 383.532 4.683 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)cc(F)c2)nc1 67296536 DGMSATYIPAHATR-ROMGYVFFSA-N 391.377 4.899 0 40 GJAB Cc1cccnc1NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 72404111 GCERTAMQBHMFSB-HNNXBMFYSA-N 379.287 4.847 0 40 GJAB O=C(NCCn1nc(-c2cccs2)cc1C1CC1)Nc1c(F)cccc1F 96121626 WUCQFTCWYHWRMU-UHFFFAOYSA-N 388.443 4.589 0 40 GJAB CO[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(F)c1 96388254 OGDQNXWMDSCBBC-OAQYLSRUSA-N 377.415 4.567 0 40 GJAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccc(Cl)cc1)c1ccccc1 100426646 RVENYJWMGCSIKR-PMACEKPBSA-N 397.906 4.687 0 40 GJAB C[C@@H]1[C@@H](NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)CCC[C@H]1C 108858658 VJYHHKMHISXAIU-GJYPPUQNSA-N 391.939 4.636 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 109003942 WOPGOWKVFAXVJB-CPLUKWAASA-N 381.520 4.734 0 40 GJAB CC(C)Sc1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)s1 224070717 HOQVEEPRUNRRRI-UHFFFAOYSA-N 385.514 4.870 0 40 GJAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)cc1 224861200 RJULHCYMCLBGKV-UHFFFAOYSA-N 393.814 4.583 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Cl)o2)c(OC)c1 224867203 CNQUSUOAMAXPMO-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1cccc(F)c1 224885159 WEDKSCRLOWZZHX-UHFFFAOYSA-N 389.224 4.815 0 40 GJAB Cc1cccc(CSCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 224984822 YMSJEPOHGUQDAP-UHFFFAOYSA-N 377.937 4.855 0 40 GJAB Cc1cccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)n1 225366460 DUEDPYMQVTVLDP-UHFFFAOYSA-N 386.373 4.917 0 40 GJAB Cc1cccc(-c2noc(CCC(=O)NC(c3ccccc3)c3ccccc3)n2)c1 225814803 NMZZGPKRQJZJLV-UHFFFAOYSA-N 397.478 4.883 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(F)cc2)cc1C 408697011 DOTULSSCBXBHHF-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1ocnc1C(F)F 585123382 IKCOJCHTROMHJL-UHFFFAOYSA-N 391.187 4.565 0 40 GJAB O=C(OCc1ccccc1)N1CCC([C@@H]2CC[C@H](Cc3ccc(F)cc3)N2)CC1 1537961488 DMTQNWNQGITJSW-PKTZIBPZSA-N 396.506 4.538 0 40 GJAB O=C(O)c1ccc(-c2ccc(CN3CCC[C@@H]3c3cccc(F)c3)o2)cc1O 2037873483 OLCOQHOGWMSGFM-LJQANCHMSA-N 381.403 4.827 0 40 GJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(C)cc3)c2c1 952859 TUTOQACQVBLHRH-UHFFFAOYSA-N 378.428 4.640 0 40 GJAB CC(=O)Nc1cccc(NC(=O)CSc2nc3ccc(C)cc3cc2C)c1 1329382 LNCHYDCEYHGLBD-UHFFFAOYSA-N 379.485 4.541 0 40 GJAB Cc1nnc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)s1 1376446 IVYFTUVVJPBNKX-UHFFFAOYSA-N 399.545 4.568 0 40 GJAB aggregator O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(F)c1 1382147 PHKBASDXJNXLFR-UHFFFAOYSA-N 388.229 4.886 0 40 GJAB O=C1C[C@H](c2nc([C@H]3CC(=O)OC34CCCCC4)cs2)C2(CCCCC2)O1 2105698 ZLYUWLDLNQGNQB-HUUCEWRRSA-N 389.517 4.610 0 40 GJAB biogenic CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2OC)ccc1O 2273219 JSSLUGUQTICIAX-JOCHJYFZSA-N 390.439 4.571 0 40 GJAB CC(C)c1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3262154 UKBIUWZWKUSYCX-UHFFFAOYSA-N 380.271 4.841 0 40 GJAB CCOC(=O)c1c(OC(=O)c2cccc(OC)c2)csc1Nc1ccccc1 3269740 VDTNZMDAIKMQTG-UHFFFAOYSA-N 397.452 4.896 0 40 GJAB Cc1ccc(-c2nsc(SCC(=O)Nc3ccc(F)cc3F)n2)cc1 4167346 HZEQAXOVQILTCI-UHFFFAOYSA-N 377.441 4.523 0 40 GJAB Oc1nc(Nc2ccccc2C(F)(F)F)nnc1Cc1ccc(Cl)cc1 4225137 DYOYFKZRDXDXLE-UHFFFAOYSA-N 380.757 4.584 0 40 GJAB COc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1Cl 4554084 IXRZQNHAEAWOAT-KRWDZBQOSA-N 391.924 4.606 0 40 GJAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1ccc2c(c1)OCO2 4849414 HUGJAZCOJSQJKS-UHFFFAOYSA-N 394.496 4.874 0 40 GJAB NC(=O)c1oc2ccccc2c1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 4852009 KIWPKUXGNGSYKU-UHFFFAOYSA-N 382.847 4.636 0 40 GJAB Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)n(-c2nc3ccccc3[nH]2)n1 4865301 XEZPCQDGTFHFSC-UHFFFAOYSA-N 393.450 4.976 0 40 GJAB COc1cccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c1 4885499 JQEAOIRPSBJOBV-UHFFFAOYSA-N 385.895 4.574 0 40 GJAB Cc1cc(O)c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1C 5343233 BQXJQFYBCPWAQN-UHFFFAOYSA-N 375.350 4.670 0 40 GJAB O=C(CSc1ccc(Br)cc1)Nc1nc2ccccc2s1 5635634 YOYGJKIUQUDPMP-UHFFFAOYSA-N 379.304 4.790 0 40 GJAB Cc1cccc(NC(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c1 6549668 FQICQADDJIUQMY-OAHLLOKOSA-N 378.501 4.572 0 40 GJAB CCN(CC)c1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c(C)c1 6629928 PKPVGVASSSSWFP-UHFFFAOYSA-N 389.952 4.550 0 40 GJAB CC[C@H](C)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3 6759403 QDHGGEZMHARVIX-HNNXBMFYSA-N 397.515 4.587 0 40 GJAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N[C@@H](C)c4ccco4)sc32)cc1 7244121 OYZBOMXBELXFDZ-HNNXBMFYSA-N 379.485 4.847 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(CN3CCCc4cc(C)ccc43)cs2)cc1 7494298 YBQVIAJBDPMGHK-UHFFFAOYSA-N 391.540 4.894 0 40 GJAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCC2)c1nnc(-c2ccccc2)o1 7824257 WKXKZYAWXACQOU-CQSZACIVSA-N 385.423 4.692 0 40 GJAB CC(C)N(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)C1CCCCC1 8156724 DEPISXXATPPNCM-UHFFFAOYSA-N 398.576 4.807 0 40 GJAB Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)oc2c(F)cccc12 8269127 TVSVPPIQEMVJNY-UHFFFAOYSA-N 396.399 4.985 0 40 GJAB Cc1nc(-c2ccc(OCc3ccc(C(=O)Nc4ccccc4)cc3)cc2)no1 8750384 MDMWONYNSUDCFJ-UHFFFAOYSA-N 385.423 4.876 0 40 GJAB CCOc1cc(C(=O)Nc2ccc3ncsc3c2)cc(OCC)c1OCC 10217304 ADWKMJBRYCIQSB-UHFFFAOYSA-N 386.473 4.745 0 40 GJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(CN2CCCC2=O)c1 13015135 MYVQVFYHSAFMLQ-UHFFFAOYSA-N 396.796 4.734 0 40 GJAB Cc1ccc(C2=Nc3ccc(Br)cc3C(c3ccncc3)=NN2)cc1 13544372 LIQWDZUNKWPVTR-UHFFFAOYSA-N 391.272 4.586 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3)n2)cc1 14609631 JCWXTPFSSULTLW-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1Br 16027469 QUTZOHFUAAODAP-JTQLQIEISA-N 399.082 4.618 0 40 GJAB O=C(CSCc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)s1 18702985 BDJFWNYSBKVLMI-UHFFFAOYSA-N 375.906 4.730 0 40 GJAB O=C(c1nccc2ccccc12)N1CCc2nc(-c3cccc(F)c3)sc2C1 19719758 QYLHODPNGDJSEB-UHFFFAOYSA-N 389.455 4.696 0 40 GJAB COc1cc([C@H]2O[C@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)cc(OC)c1OC 20228298 LOKJUZWMHIWIBX-AOSWFRPUSA-N 398.455 4.587 0 40 GJAB CC(C)c1cc(NC(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)on1 21326160 LDSSJOPBXARHDZ-UHFFFAOYSA-N 396.516 4.593 0 40 GJAB CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)Sc1nc2ccccc2n1C 21664642 KYHADLRPJIRQBV-CYBMUJFWSA-N 393.468 4.641 0 40 GJAB Cn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c2cc(F)ccc21 22236316 OJQGYHVMFJKKHL-UHFFFAOYSA-N 398.743 4.602 0 40 GJAB O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccccc1-c1ccccc1 22929631 QNDYMHLMHXIPGE-UHFFFAOYSA-N 399.538 4.500 0 40 GJAB O=C(Nc1ccc(F)c(F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 24378575 YAYVSXHEJOMOOJ-UHFFFAOYSA-N 385.267 4.561 0 40 GJAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccc(Br)o1 28220918 RZENFVWPMYBMGR-UHFFFAOYSA-N 396.244 4.692 0 40 GJAB COc1ccc(-c2nc(C(=O)N[C@H]3CCCC[C@H]3C(F)(F)F)cs2)cc1 29611931 NLVUFCMIZUXULM-KGLIPLIRSA-N 384.423 4.670 0 40 GJAB CCOc1ccc(-c2nc(CN(Cc3ccco3)C3CC3)cs2)cc1OC 32778638 LFJWIRJIEOMOBH-UHFFFAOYSA-N 384.501 4.975 0 40 GJAB O=C(NC1=NC2=C(CCCC2)C2(CCCCC2)S1)c1ccc2c(c1)OCO2 32882427 LWWHLTQBNOAUGH-UHFFFAOYSA-N 384.501 4.779 0 40 GJAB Cc1ccc(CSc2nc(O)c3c(n2)CCN(Cc2ccccc2)C3)cc1C 33287244 ZZCWOGDZTIIUPZ-UHFFFAOYSA-N 391.540 4.650 0 40 GJAB Cc1nc(C)c2c(C)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2n1 36714495 ILMSIBCJYYLBKV-UHFFFAOYSA-N 381.379 4.767 0 40 GJAB COc1ccccc1[C@H](C)N(C)C(=O)c1cc(-c2ccco2)nc2onc(C)c12 36742228 ZXEHKSQJANKEGP-AWEZNQCLSA-N 391.427 4.633 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 44901332 GMPJXRBBRGMESV-IBGZPJMESA-N 382.504 4.628 0 40 GJAB O=C(CCc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 53663699 ULTXSRJYJQQFCT-UHFFFAOYSA-N 396.840 4.640 0 40 GJAB Cc1ccc(C2=NN(C(=O)CNc3cc(F)cc(F)c3)[C@H](c3ccco3)C2)cc1 57748466 MBCWKOVIHAMSJN-FQEVSTJZSA-N 395.409 4.656 0 40 GJAB Cc1[nH]c2ccccc2c1CSc1nc2sc3c(c2c(=O)n1C)CCCC3 59417505 PKDANDYPSNITNP-UHFFFAOYSA-N 395.553 4.956 0 40 GJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1cc(OC)cc(OC)c1 72277180 CWDLPINWOZZHBI-DHIUTWEWSA-N 381.516 4.821 0 40 GJAB CCN(C(=O)CSc1ncnc2c1[nH]c1ccc(C)cc12)c1ccccc1 72331947 IWFPKNRYOWWIPK-UHFFFAOYSA-N 376.485 4.565 0 40 GJAB Cc1nc(-c2cccc(NCc3c(C)nn(-c4ccccc4)c3Cl)c2)n[nH]1 84017148 SCCSPQUMMMEZHK-UHFFFAOYSA-N 378.867 4.540 0 40 GJAB CC[C@@H](Nc1nc(-c2cccnc2)nc2c1CCC2)c1nc(-c2ccccc2)c[nH]1 95460556 CMVBVMFFZRESPA-LJQANCHMSA-N 396.498 4.981 0 40 GJAB CN(C)CCCOc1ccc(C(C)(C)c2cc(Br)ccn2)cc1 95629705 VNKGSAVLHOFYDH-UHFFFAOYSA-N 377.326 4.501 0 40 GJAB Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)Nc1cccc(F)c1 96037590 DLVQPVFGRYBNGC-UHFFFAOYSA-N 387.418 4.617 0 40 GJAB O=C(C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21)NC1CCC1 96052745 KPVWNSHISKWAKO-LJQANCHMSA-N 394.584 4.828 0 40 GJAB Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3cc(F)ccc3Cl)n2)cc1 98212203 LUHZZDMTYBTGLE-KRWDZBQOSA-N 385.826 4.815 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 170565801 FVDJJJNXNMKVBQ-SFHVURJKSA-N 386.451 4.779 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC(C)C)c1ccccc1 223407943 CHCLFRLZSWXQAV-OAQYLSRUSA-N 386.923 4.592 0 40 GJAB COC(=O)c1cc2cc(NC(=O)c3cc(-c4ccc(F)cc4)on3)ccc2s1 224069717 DEFYGFVXJFNYIT-UHFFFAOYSA-N 396.399 4.734 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 224535113 JDCGDYZBONIOKZ-DEOSSOPVSA-N 394.559 4.709 0 40 GJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(OC)c2ncccc12 225705990 PMKDWWRYSYMTBB-SFHVURJKSA-N 393.512 4.616 0 40 GJAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC[C@@H]2C)c(Br)c1 226284897 CISFSXBDAHSUJQ-NSHDSACASA-N 393.247 4.743 0 40 GJAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(C(C)(C)C)cc1 227146429 OEUBNMJRDVQXFH-UHFFFAOYSA-N 377.282 4.590 0 40 GJAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2Cc2ccc(Cl)cc2F)n1 257335480 YKICREQRSQVLOU-GOSISDBHSA-N 386.858 4.878 0 40 GJAB O=C1N/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1c1ccc(Cl)cc1 409230820 FYYVRCSJFCGSIO-GZTJUZNOSA-N 382.778 4.836 0 40 GJAB CC1CCN(Cc2cccc(CN[C@H](C)c3ccc4c(c3)CCC(=O)N4)c2)CC1 532215548 GTIHOFBDBDWAIK-LJQANCHMSA-N 391.559 4.654 0 40 GJAB C[C@H](NC(=O)c1ccc(-c2cnn(C)c2)o1)c1ccc(Oc2ccccc2)cc1 1125608786 ZQBZMKFFNKJFTR-INIZCTEOSA-N 387.439 4.963 0 40 GJAB Cc1ccc(-c2csc(NC(=O)Cc3c(C)nn(CC4CC4)c3C)n2)cc1C 1264128329 XPQKXUPTHBECQZ-UHFFFAOYSA-N 394.544 4.831 0 40 GJAB CCc1ccc(-c2csc(NC(=O)Cc3ccccc3)c2C(=O)OC)cc1 668887 YGLOBFAQUGZMJG-UHFFFAOYSA-N 379.481 4.945 0 40 GJAB O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccccc1 918037 MZKMTHOAPDFTOC-UHFFFAOYSA-N 393.390 4.876 0 40 GJAB Cc1ccc(COc2cccc(/C=C3\N=C(c4cccs4)OC3=O)c2)cc1 996303 VZIMDXWWGAFFFG-UYRXBGFRSA-N 375.449 4.980 0 40 GJAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 2107088 FWOFSGVAIHDXDD-FPHQJYPMSA-N 391.511 4.603 0 40 GJAB biogenic Cc1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1C 2254916 WEJJNRWQQSPQKI-UHFFFAOYSA-N 388.471 4.586 0 40 GJAB Fc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1 2315856 GNNYTWXCDKZPNS-UHFFFAOYSA-N 382.418 4.627 0 40 GJAB Cc1ccc(C)c(OCc2nnc(NC(=O)Nc3ccc(C)c(C)c3)s2)c1 2318661 SQAMBDZUJVOESX-UHFFFAOYSA-N 382.489 4.995 0 40 GJAB CC1(C)Cc2c(sc3nc(Cl)n(-c4cccc(Cl)c4)c(=O)c23)CO1 2376718 VJOOAARDRIFKOU-UHFFFAOYSA-N 381.284 4.605 0 40 GJAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 2379079 LEGNSJIDAPOLIC-HIFRSBDPSA-N 377.510 4.974 0 40 GJAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1cccc(Oc2ccccc2)c1 2635608 ULVZBIJVPHDTDO-UHFFFAOYSA-N 398.418 4.823 0 40 GJAB O=C(Nc1cccc2ccccc12)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 2726421 PIPVYHFXEVMZRO-JOCHJYFZSA-N 396.446 4.639 0 40 GJAB COC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 2736781 JQNGCSOWHZOBJV-FQEVSTJZSA-N 377.465 4.945 0 40 GJAB CCc1ccc(-c2csc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5=C(C)C)[C@H]4C3=O)n2)cc1 2769945 TWJGMHCAJOYFQT-NFQUHZNNSA-N 392.524 4.854 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 3287369 UMQQABSHEDTXHB-HOTGVXAUSA-N 385.891 4.739 0 40 GJAB CCN(C(=O)CSc1nnc(Nc2ccc(C)cc2)s1)c1ccccc1 3471624 VDDJQFIWXKJWFH-UHFFFAOYSA-N 384.530 4.735 0 40 GJAB Cc1ccccc1-n1c(SCC(=O)O)nnc1-c1ccc(Cl)cc1Cl 3887655 JMWQOUALXHSUTM-UHFFFAOYSA-N 394.283 4.726 0 40 GJAB CCCCCOc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 4348545 QVWHNTWSIHHDPG-UHFFFAOYSA-N 398.484 4.889 0 40 GJAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc4ccccc34)=NN12 4427547 WPAGLAFGMDYHEH-QHCPKHFHSA-N 383.495 4.805 0 40 GJAB Cc1[nH]c(SCC(=O)N[C@@H]2CCCc3ccccc32)nc1Cc1ccccc1 4485560 IYXNFSBFFUGBNW-HXUWFJFHSA-N 391.540 4.595 0 40 GJAB O=C(COc1ccc2ccccc2c1)NCCSCc1ccc(Cl)cc1 5245517 XHMQSCYDUUFDNF-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB CC[C@H](C)CCCNc1nnc(SCC(=O)N2CCCC[C@H]2CC)s1 5505549 UKAYVNTYGPXJLH-LSDHHAIUSA-N 384.615 4.660 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 5670061 ORXNHTPLKPVJEI-UHFFFAOYSA-N 388.423 4.688 0 40 GJAB Cc1ccc2c(COC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc(=O)oc2c1 6206860 CWWAIBLAGFANSQ-SOFGYWHQSA-N 388.341 4.877 0 40 GJAB CCC[C@H](C)c1ccc(OCCCCCN2CCN(C(=O)OCC)CC2)cc1 6381240 PMAADNDAJIXMNH-FQEVSTJZSA-N 390.568 4.913 0 40 GJAB COc1ccc([C@H](Cc2nc3ccccc3[nH]2)NC(=O)c2ccc(C)cc2)cc1 6382556 LYHCTBYCGZMQFX-QFIPXVFZSA-N 385.467 4.594 0 40 GJAB CCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(OC)cc32)cc1 6600815 DNPVHIADJPFDRE-UHFFFAOYSA-N 385.467 4.836 0 40 GJAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3S)o2)cc1C 6613901 AQRQFEVZJPSZGX-UHFFFAOYSA-N 382.510 4.979 0 40 GJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCC)cc1 6752974 NBEVBCAMEKMDKE-QFIPXVFZSA-N 391.471 4.526 0 40 GJAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2cccc(Cl)c2)c1 6839671 CPIUPWCXGOZTRY-UHFFFAOYSA-N 378.859 4.831 0 40 GJAB O=C1c2ccccc2N[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1Cc1ccco1 7112615 RGLYZAABWWGPOE-GOSISDBHSA-N 394.299 4.742 0 40 GJAB CC(C)C(=O)Nc1ccc(C2=Nn3cc(-c4ccccc4)nc3S[C@@H]2C)cc1 7985538 QUDFDEZHRVMCNL-OAHLLOKOSA-N 390.512 4.891 0 40 GJAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1cccc(Cl)c1 8311140 KONBJCRCMUKJLH-UHFFFAOYSA-N 391.858 4.907 0 40 GJAB aggregator COc1ccc(CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1F 8718178 HQPIBWAEAYIAOM-UHFFFAOYSA-N 378.447 4.719 0 40 GJAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 9235165 QSTVCEIUZMACIW-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB O=S(=O)(Cc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 9694906 RAACGFKBJLBNOW-UHFFFAOYSA-N 385.916 4.872 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 10684265 KJPBYBURCBIUGS-INIZCTEOSA-N 382.504 4.530 0 40 GJAB CC(=O)c1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3cc(C)ccn23)s1 12574921 BATSZCVRCSGCOA-UHFFFAOYSA-N 393.443 4.965 0 40 GJAB COc1cccc(N[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)c1 12597494 AUOZWLRMGMKFES-LLVKDONJSA-N 383.498 4.895 0 40 GJAB COC(=O)Cc1ccc(OCc2cc3ccc(SC)cc3nc2Cl)cc1 12771773 LCJPKOAJVGIECO-UHFFFAOYSA-N 387.888 4.905 0 40 GJAB CC(=O)Nc1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc1 12773250 BIGUPXQSCIJCSJ-UHFFFAOYSA-N 384.888 4.957 0 40 GJAB CC(=O)c1ccc(-c2ccc(C(=O)NCc3coc(-c4cccs4)n3)o2)cc1 12777048 WLCPVKDMPJPHRR-UHFFFAOYSA-N 392.436 4.796 0 40 GJAB CC(C)(C)C(=O)CNC(=O)c1ccccc1SCc1cc(-c2ccco2)on1 12902374 BQEVTHMOGMEWSP-UHFFFAOYSA-N 398.484 4.572 0 40 GJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1Cl 13477687 FMIVZCLVVSWWBS-JQBYJRRVSA-N 385.850 4.737 0 40 GJAB biogenic C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(Nc4cccnc4)nc3[C@@H](C)[C@H]21 15708920 WXVNKUFJASOHTJ-KNCIANHMSA-N 383.517 4.535 0 40 GJAB biogenic,in-vitro CCCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4Cl)c3)nn12 20609623 RKDVGFYMZDNEBY-UHFFFAOYSA-N 397.891 4.711 0 40 GJAB C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@](=O)Cc1cccc(Cl)c1 24829296 FTWPSMBKSKPHQB-SXBQZSJRSA-N 377.937 4.913 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 24832067 FHGNCXOLCXIEGG-CSKARUKUSA-N 395.846 4.507 0 40 GJAB C[C@@H](SCc1nc(-c2ccsc2)no1)C(=O)Nc1ccc2c(c1)CCC2 25054118 LOZKGQCWFSGUCC-GFCCVEGCSA-N 385.514 4.547 0 40 GJAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1OC(F)F 28923903 OPPIRUWQXNXRSZ-LJQANCHMSA-N 384.382 4.672 0 40 GJAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cccc(OC(F)(F)F)c1 31034450 CZAPNYXXOPYKMG-UHFFFAOYSA-N 377.362 4.676 0 40 GJAB COc1ccccc1-c1cc(COC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)on1 32865979 BCURJSZZVGPEMM-KGLIPLIRSA-N 379.412 4.592 0 40 GJAB Cc1noc(-c2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)n1 32906210 DZKBQVVCPDEZOT-UHFFFAOYSA-N 385.423 4.876 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 33565573 CGZZXHAZCMYJDM-JOCHJYFZSA-N 394.515 4.807 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC 33741369 ICGLXXQTNNWYTR-UHFFFAOYSA-N 394.265 4.507 0 40 GJAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]21C 36372160 HDLRFHJYLSKLMU-ALYLOHGZSA-N 376.537 4.545 0 40 GJAB CC1(C)CC(N(Cc2ccccn2)Cc2ccc3ccccc3n2)CC(C)(C)N1 36740503 BEPJXXILXDVVEG-UHFFFAOYSA-N 388.559 4.941 0 40 GJAB O=C(CCSc1ccc(F)cc1)Nc1c2c(nn1-c1ccccc1)CCC2 38510779 KKMSYDWAPIMAGR-UHFFFAOYSA-N 381.476 4.621 0 40 GJAB COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@H](C)c1cc(C)sc1C 40121093 OXJBFEJZYAEPDL-CQSZACIVSA-N 389.517 4.613 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1cccc(Cl)c1F 51364531 XOMUPJWASNRJHI-AWEZNQCLSA-N 382.822 4.638 0 40 GJAB CCCCN(C)c1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 60322654 HJMRHAQLKWQBAW-UHFFFAOYSA-N 388.895 4.990 0 40 GJAB CCOc1ccc(-c2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)cc1 71890658 DWHIHDBAEUKSCB-UHFFFAOYSA-N 376.416 4.996 0 40 GJAB OC1=Nc2c(cnn2Cc2ccccc2Cl)[C@@H](c2ccc(O)cc2)SC1 95478554 UPJGPUPIGSJQHY-GOSISDBHSA-N 385.876 4.715 0 40 GJAB O=C(c1cccc(F)c1)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 96822807 FCCVOMHYJLKAPB-YVMONPNESA-N 389.426 4.957 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc3c(n2)[C@]2(C)CC[C@@H]3C2(C)C)c(C)c1 100265471 HUGYMRCSEVANHW-DFFLPILJSA-N 396.560 4.783 0 40 GJAB O=C1C[C@H](C(=O)Nc2c(F)cccc2Oc2ccccc2)c2ccccc2N1 107167425 RZMLEHKPUAOWDA-INIZCTEOSA-N 376.387 4.683 0 40 GJAB Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 205619020 QXRLWSJIIASYAI-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccc(OC)c(OC)c1 219047603 BCLBIKVHJLHXFE-UZLBHIALSA-N 393.483 4.892 0 40 GJAB COC(=O)c1cn(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc12 222644983 ASWDJZWJIBJBTB-INIZCTEOSA-N 379.456 4.967 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 222889651 PODWVSXCLINZDM-FGZHOGPDSA-N 390.556 4.872 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccco1 222916650 VZCXNQGAJCXXLO-IBGZPJMESA-N 375.534 4.784 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)NCCOc1ccc2ccccc2c1 223580341 KSXILCSVXQHRPP-UHFFFAOYSA-N 390.266 4.721 0 40 GJAB COc1cccc(OCc2cc(C(=O)Nc3c(F)cccc3F)ccc2OC)c1 224253979 ANWCWMVNPNQBHJ-UHFFFAOYSA-N 399.393 4.813 0 40 GJAB CCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224929501 NGHKQQXCPZYDAN-UHFFFAOYSA-N 380.444 4.556 0 40 GJAB CC(C)(C)CC(C)(C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 225110344 YOSBGTYXPZPQNS-JXAWBTAJSA-N 384.545 4.850 0 40 GJAB COc1ccc(SCCCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 225803068 RRCKITMOTVADRX-UHFFFAOYSA-N 384.929 4.957 0 40 GJAB COc1ccc(-c2cccc(CC3(C(=O)NC4CCCC4)CCOCC3)c2)cc1 257197601 DVBWHWNNLKYJRK-UHFFFAOYSA-N 393.527 4.760 0 40 GJAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(O)ccc5ccccc45)OCC[C@@]31C2 257231198 GFRZNAKTPLHYLP-IZRMSOCCSA-N 379.500 4.564 0 40 GJAB CCN1CC2(CCC(N(C)CC3=CCCCC3)CC2)Oc2ccccc2C1=O 257238305 HKKAJDULTAULRW-UHFFFAOYSA-N 382.548 4.655 0 40 GJAB Cc1cccnc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257287231 PPCUOOPCAVOQSC-KRWDZBQOSA-N 395.890 4.642 0 40 GJAB C/C(=C\c1ccccc1)CN1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 257310612 UFWSNTLICXUQGJ-UWUFYVNFSA-N 386.499 4.697 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c(C)c1 408624575 XTZNNAQOIXSLJR-UHFFFAOYSA-N 388.467 4.502 0 40 GJAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 408811499 LKZYMLFCGRMXEJ-UHFFFAOYSA-N 384.868 4.593 0 40 GJAB O=C1S/C(=C/c2coc3ccccc3c2=O)C(=O)N1c1cccc(Cl)c1 409380608 OJVAPOYKUKKVFQ-LZYBPNLTSA-N 383.812 4.687 0 40 GJAB Fc1ccc([C@@H]2C[C@H]2c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc1 538313301 KFESUESIAIVKNJ-VQTJNVASSA-N 380.419 4.705 0 40 GJAB COCc1c(C(=O)N(C(C)C)[C@@H]2CCCc3cccnc32)oc2ccccc12 585080032 YDWUBCNWYVPFNV-LJQANCHMSA-N 378.472 4.902 0 40 GJAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCCCn1cccc1 604418879 QYVCAJNUKMDOAV-OAQYLSRUSA-N 379.504 4.732 0 40 GJAB CC(C)([C@H](NC(=O)c1ccccc1Cl)c1ccc(F)c(F)c1)N1CCCC1 1536855806 SLIMLKWYDOXBOQ-LJQANCHMSA-N 392.877 4.964 0 40 GJAB CC(C)(C)[C@@H]1CCc2sc(C(=O)NCc3cnn(CC4CCC4)c3)cc2C1 1585397800 SHQVUIOTRQWZNK-GOSISDBHSA-N 385.577 4.826 0 40 GJAB C[C@H](C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1cccc(C(=O)c2ccccc2)c1 1632457787 PDSYVHDTORRLHM-INIZCTEOSA-N 396.446 4.501 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1ccccc1C(F)(F)F 1775977209 GWEIPNMTOAMHCZ-QGZVFWFLSA-N 391.414 4.897 0 40 GJAB Cc1ccc(C)c(Oc2coc3cc(O[C@H](C)C(=O)OC(C)C)ccc3c2=O)c1 948948 UXYNVQBOLWDXIO-MRXNPFEDSA-N 396.439 4.921 0 40 GJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)o2)cc1 1224414 PAUJEZSIWRBTCE-NSHDSACASA-N 389.864 4.518 0 40 GJAB CCCOC(C(=O)O[C@H]1CC[C@H]2CC[C@@H]1N2C)(c1ccccc1)c1ccccc1 1639500 HKGIWDBWRYKYTC-VJBWXMMDSA-N 393.527 4.525 0 40 GJAB Cc1cc(OCC(=O)c2c(C)n(C)c3ccccc23)c2c(C)c(C)c(=O)oc2c1 2095154 LKNHSFPEBSSOOC-UHFFFAOYSA-N 389.451 4.780 0 40 GJAB biogenic Cc1cccc(C)c1NC(=O)C1(N2C(=O)C[C@H]2c2ccccc2)CCCCC1 2272162 VXOGWUCKNNNMHQ-FQEVSTJZSA-N 376.500 4.918 0 40 GJAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)C(C)C)cc1 2331731 SVHXXRVVDDFRJG-UHFFFAOYSA-N 395.890 4.764 0 40 GJAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCc1ccccc1 2889642 WAZJRTRWJXZXAJ-UHFFFAOYSA-N 395.480 4.782 0 40 GJAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H]1CCCc2ccccc21 3341830 HZCYELHNEWCYNH-OAQYLSRUSA-N 376.456 4.678 0 40 GJAB COc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCCCCC2)cc1 3893714 JMGMABJPRZVFIN-OAQYLSRUSA-N 378.516 4.554 0 40 GJAB Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1CCC1=CCCCC1 5316194 CCYFPUXGZBVVCQ-UHFFFAOYSA-N 389.499 4.588 0 40 GJAB CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)c(Cl)c1 5422589 IFUOXUFEMCLUAE-UHFFFAOYSA-N 376.243 4.706 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cc(F)c(F)cc1Cl 5830847 UYHSSGRCHJHUBK-SNVBAGLBSA-N 377.774 4.836 0 40 GJAB COc1cccc(NC(=O)Cn2c(SCCC(C)C)nc3ccccc32)c1 6313608 NFUMDPCXXZDCAX-UHFFFAOYSA-N 383.517 4.822 0 40 GJAB CCOc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)o1 6582466 ASTJRAFMHSBXSS-UHFFFAOYSA-N 397.500 4.864 0 40 GJAB Cc1ccc(COc2ccc([C@@H]3S[C@@H](C)C(=O)Nc4[nH]nc(C)c43)cc2)cc1 6678703 JHDKVXCGMPHQTH-YWZLYKJASA-N 393.512 4.769 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 6820955 IGIGYPFOUMLMCS-UHFFFAOYSA-N 386.499 4.911 0 40 GJAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc(C2CC2)nc2ccccc12 7779274 UIGRMBPWCFUTMF-UHFFFAOYSA-N 378.447 4.922 0 40 GJAB Cc1cc(CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2C)no1 7820578 NAMUCYULYFOVIC-UHFFFAOYSA-N 397.887 4.936 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2cc(C)ccc2C(C)C)c1 8062563 OYCHYMGYKNUQSQ-OAQYLSRUSA-N 397.515 4.878 0 40 GJAB O=C(Cc1coc2cc(O)ccc12)N1CCC(c2nc3ccccc3s2)CC1 8340856 WQCPTMZSLWWHSA-UHFFFAOYSA-N 392.480 4.697 0 40 GJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1ccc(F)cc1Cl 9036378 QXWWIZXJAKLGAN-UHFFFAOYSA-N 398.821 4.523 0 40 GJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 10100763 KJVKGDHOIXHUDT-INIZCTEOSA-N 388.964 4.733 0 40 GJAB Cc1c(C(=O)N[C@H](c2ccccc2)c2nccn2C)oc2c(Cl)cccc12 12627299 FVZRDTWMOVJJHO-QGZVFWFLSA-N 379.847 4.648 0 40 GJAB O=C(NCCc1nc2ccccc2s1)C1c2ccccc2Oc2ccccc21 12776185 DYPWPGWKBRPLSP-UHFFFAOYSA-N 386.476 4.893 0 40 GJAB CC(C)CN(C(=O)c1cncc(Br)c1)c1nc2ccccc2s1 12797982 CFDTWEFVTXPKSP-UHFFFAOYSA-N 390.306 4.757 0 40 GJAB COc1ccc(CN2CCCN(C(=O)Nc3cccc4ccccc34)CC2)cc1 12798177 YCXFMXAJONTKCY-UHFFFAOYSA-N 389.499 4.588 0 40 GJAB COc1cc(C)c(NC(=O)c2ccccc2OCc2csc(C)n2)cc1OC 12908078 VEKUVJICGODPGM-UHFFFAOYSA-N 398.484 4.608 0 40 GJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 13685687 CAHSRXOZTDQXOI-SFHVURJKSA-N 394.515 4.772 0 40 GJAB O=C(c1ccccc1)C1CCN(Cc2ccc(F)cc2Br)CC1 14813956 DZOBDXADJUDKGX-UHFFFAOYSA-N 376.269 4.683 0 40 GJAB O=C(Oc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccc2c(c1)OCO2 15540063 IRFLCUCDOHALSQ-UHFFFAOYSA-N 395.798 4.540 0 40 GJAB Sc1nnc(-c2cc(-c3cccs3)nc3ccccc23)n1C[C@@H]1CCCO1 17080672 CTUDLVJBIZJFHV-ZDUSSCGKSA-N 394.525 4.690 0 40 GJAB COc1ccc(S[C@H](C)C(=O)NCCCc2ccccc2Cl)cc1OC 20045974 XELNVYSBGXOGLY-CQSZACIVSA-N 393.936 4.587 0 40 GJAB O=C(O)c1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1O 20139557 XDQNUQUJHQHDHZ-UHFFFAOYSA-N 382.224 4.864 0 40 GJAB O=C(CCc1ccc2c(c1)OCO2)Nc1nc(-c2ccc(Cl)s2)cs1 21973590 NRZWJPCOEKAKTL-UHFFFAOYSA-N 392.889 4.825 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 22522053 QHTUSZWQHQLWQL-QGZVFWFLSA-N 375.852 4.540 0 40 GJAB CCCc1noc(CCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)n1 22828521 DTJIJMGQMYEQBB-UHFFFAOYSA-N 392.484 4.870 0 40 GJAB COCCCn1c(C)cc(C(=O)CSc2nccn2-c2cccc(C)c2)c1C 25256198 QYRDXWSCYBPVAK-UHFFFAOYSA-N 397.544 4.611 0 40 GJAB O=C(Nc1ccc(Br)c2cccnc12)c1ccc(Br)o1 27930367 RJKORGRVEQPXRX-UHFFFAOYSA-N 396.038 4.605 0 40 GJAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1nc2ccccc2c(=O)[nH]1 28210346 VOFPAAVLNLCXCR-UHFFFAOYSA-N 391.814 4.621 0 40 GJAB CCc1ccc([C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)c2cccs2)cc1 29429150 VUUGYXMWXJTTHV-NRFANRHFSA-N 388.492 4.671 0 40 GJAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cc2ccccc2oc1=O 29903300 KFHWTGBTHDXZFS-UHFFFAOYSA-N 397.736 4.640 0 40 GJAB Cc1ccc(-c2nc(C(=O)N3CCC(OCc4ccccc4)CC3)cs2)o1 31413803 CFZHNNLZCULXMJ-UHFFFAOYSA-N 382.485 4.533 0 40 GJAB CCOc1ccc(Oc2ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc2)cc1 31689286 QAPKFHNBDUNCGG-CYBMUJFWSA-N 383.366 4.784 0 40 GJAB COc1cc(CN(C(=O)c2cc(C)c(C)s2)C2CC2)ccc1OC(F)F 32772472 VSTYBWDHOPBZJI-UHFFFAOYSA-N 381.444 4.780 0 40 GJAB Cc1nc2cc(NC(=O)c3cccc(NC(=O)C4CCCCC4)c3)ccc2o1 32804884 UAYXMLONIJNJKA-UHFFFAOYSA-N 377.444 4.907 0 40 GJAB Cc1ccc(-c2nc(C)sc2CC(=O)NCCc2c[nH]c3ccccc23)cc1 32958323 CGSHRKQMFBPMLQ-UHFFFAOYSA-N 389.524 4.810 0 40 GJAB O=C(CCc1ccccc1Cl)Nc1ccccc1I 32980015 USHVMKMONVVUTB-UHFFFAOYSA-N 385.632 4.516 0 40 GJAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]21C 36372158 HDLRFHJYLSKLMU-GGNVJUDESA-N 376.537 4.545 0 40 GJAB CC(C)c1ccc(CCC(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1 36613920 SLOBXRUATQBZCZ-UHFFFAOYSA-N 394.603 4.712 0 40 GJAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)cc1 41120854 NUUWUFIYSFAQBM-UHFFFAOYSA-N 378.925 4.686 0 40 GJAB Cc1ccc(S[C@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44873406 SCOMQWVDXGLEQT-LJQANCHMSA-N 382.573 4.778 0 40 GJAB O=C(CSC1CCCC1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 49506118 PTBGJNRIXVWXCY-UHFFFAOYSA-N 394.540 4.894 0 40 GJAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)o1 57658444 IGHXXJQSWJHTFC-XMSQKQJNSA-N 380.532 4.638 0 40 GJAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CCOc1ccc2c(c1)OCO2 59109439 MHRFRJBNJFOZCJ-UHFFFAOYSA-N 391.345 4.502 0 40 GJAB C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc4cccnc34)cc2)C[C@@H](C)O1 69598208 VOZXNDXLSVSIMA-IYBDPMFKSA-N 377.444 4.668 0 40 GJAB Clc1ccc(CNc2ncc(-c3cnccn3)c(-c3cccs3)n2)cc1 72338747 BTVUXKYDRALRPM-UHFFFAOYSA-N 379.876 4.928 0 40 GJAB CNc1ncccc1CN1CCC[C@H](c2cccc(-c3ccc(OC)cc3)n2)C1 72350258 RLAMCRBCSZSYID-IBGZPJMESA-N 388.515 4.574 0 40 GJAB CCc1ncc(CN2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1 72356233 JQWMRAXKIMYYOE-QHCPKHFHSA-N 386.543 4.713 0 40 GJAB CO[C@@H]1CCN(c2ccc(NC(=O)Cc3ccc(SC(C)C)cc3)cc2)C1 96122230 KZYIMDYYAFDVEN-HXUWFJFHSA-N 384.545 4.593 0 40 GJAB OC1(c2cccnc2)[C@H]2CCC[C@H]1CN(Cc1cccc(Cl)c1Cl)C2 100148475 YVEZDQHLESTJLM-IRXDYDNUSA-N 377.315 4.508 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 222895107 LCLSUMNVANAOSZ-QHCPKHFHSA-N 383.532 4.943 0 40 GJAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1 222911837 DOGSUWZBPHFQCG-FCHUYYIVSA-N 390.556 4.809 0 40 GJAB COc1ccc(CNC(=O)c2ccc(OC)c(CSc3ccccc3)c2)cc1 224322117 WSJPSCYHYOQPAN-UHFFFAOYSA-N 393.508 4.926 0 40 GJAB O=C(NCc1ccccc1CN1CCCC1)c1ccccc1CCc1ccccc1 224782538 DDOOWXIMRNZDON-UHFFFAOYSA-N 398.550 4.998 0 40 GJAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)c(I)c1 225013299 LWHMPDYOLMLUFS-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB COc1ccc(-c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2N)cc1OC 225182539 DNAHCGRLMAKXPH-UHFFFAOYSA-N 397.784 4.811 0 40 GJAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225607541 BZNMRHAHOPRWJI-AUSIDOKSSA-N 390.568 4.577 0 40 GJAB O=C(NCc1cccnc1-c1ccsc1)c1ccc(Oc2nccs2)cc1 225647688 DRRNCUDNPUUCSH-UHFFFAOYSA-N 393.493 4.989 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(OC)c(OC)c1 225718889 LXJRDYGVXLDRQC-OAHLLOKOSA-N 394.924 4.804 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225738689 ASDCRBYWEXGYHB-CVDCTZTESA-N 390.568 4.864 0 40 GJAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cc1C(=O)OC 225851390 RBIUMSSMELECBV-UHFFFAOYSA-N 391.508 4.720 0 40 GJAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCOC)nc1C 225906632 VKGCVVNRNOXUSQ-UHFFFAOYSA-N 394.556 4.611 0 40 GJAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1cc2ccccc2s1 244983795 IRDPNINDSTUYAS-LJQANCHMSA-N 385.535 4.690 0 40 GJAB O=C1CC[C@]2(CCCN(c3ncnc4ccsc34)CC2)N1CC1CCCCC1 585100829 YDKBIXWFPLDHNG-QFIPXVFZSA-N 398.576 4.623 0 40 GJAB O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)[C@@H]1Cc2ccc(F)cc21 684479350 UEIPXJGLDHPREW-MSOLQXFVSA-N 396.462 4.922 0 40 GJAB COCc1cccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 1615124513 FJNXUBCFKZARAM-XMMPIXPASA-N 396.506 4.636 0 40 GJAB Cc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)cc1 714158 NQWBGVZXPXWNFI-RCCKNPSSSA-N 383.403 4.559 0 40 GJAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(F)cc1 1364282 OZTGQDLSVFQODS-UHFFFAOYSA-N 393.443 4.701 0 40 GJAB Clc1ccc(CSc2ncc(Br)c(N3CC3)n2)c(Cl)c1 1681564 ZZLOQAHPXYYWJF-UHFFFAOYSA-N 391.121 4.658 0 40 GJAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)c(Cl)c2)c1 2053743 SSDVEEZPVPLORZ-UHFFFAOYSA-N 392.908 4.654 0 40 GJAB Cc1ccccc1-n1c(N)c(C(=O)OCCC(C)C)c2nc3ccccc3nc21 2251375 OBVCJOJBONXOGF-UHFFFAOYSA-N 388.471 4.667 0 40 GJAB Clc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1 2351676 CTZNNTAZEWPSFQ-UHFFFAOYSA-N 382.876 4.927 0 40 GJAB Cc1cccc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)c1 2354942 LISRKPKHJVAMCR-UHFFFAOYSA-N 399.498 4.527 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc4ccccc4n3)n2)c1 2662169 XJXFVUBYYXKYFD-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc2c(s1)CCCC2 3347524 XIWYQKRJMPVYSL-UHFFFAOYSA-N 392.528 4.864 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NCc1ccccn1)c1ccccc1 3454281 QZXFOEPQIQJWOQ-LJQANCHMSA-N 385.389 4.570 0 40 GJAB O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 4167067 MCSBJSZUGAFBAM-UHFFFAOYSA-N 376.403 4.801 0 40 GJAB CCc1ccc(-c2nc(-c3cc4ccccc4oc3=O)sc2CC(=O)O)cc1 4600492 HDQGWGPVLJWOLN-UHFFFAOYSA-N 391.448 4.773 0 40 GJAB CCOc1ccccc1NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 4966409 YFOJJYLXMBCGTE-UHFFFAOYSA-N 395.528 4.513 0 40 GJAB COc1ccc(-c2oc3ncn4nc(C)nc4c3c2-c2ccc(OC)cc2)cc1 5345531 UTPZXVUSQUEBEV-UHFFFAOYSA-N 386.411 4.530 0 40 GJAB O=C(O)c1ccc(/C=C2\SC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 5553139 JQICCWXEQVMHDM-ZSOIEALJSA-N 393.342 4.645 0 40 GJAB C[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 5692199 CZBGYXWGUNBRSL-GFCCVEGCSA-N 386.860 4.648 0 40 GJAB O=C(COc1ccccc1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 5901145 QJSFWNRVSVYEIK-UHFFFAOYSA-N 380.831 4.610 0 40 GJAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 6569585 PGNJLPXCFGGKES-UHFFFAOYSA-N 394.496 4.689 0 40 GJAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 6779341 NYRRBWZMWRFIDO-QHCPKHFHSA-N 386.495 4.671 0 40 GJAB Cc1ccc(-c2nc(CN3c4cccc5cccc(c45)S3(=O)=O)cs2)cc1 7005299 CAPCERMMKAWTOL-UHFFFAOYSA-N 392.505 4.981 0 40 GJAB CC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c1 7987095 COFMDCNDZLASFZ-UHFFFAOYSA-N 389.492 4.552 0 40 GJAB C[C@H]1C[C@H](Sc2ncc(-c3ccc(F)cc3)n2Cc2ccccc2)C(=O)O1 8215890 ZZZAJMWAJMCLCB-LIRRHRJNSA-N 382.460 4.534 0 40 GJAB O=C(Nc1cccc2cccnc12)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 8342766 KNJKISMXTCGMNU-JOCHJYFZSA-N 394.430 4.941 0 40 GJAB C[C@@]1(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)CC1(Cl)Cl 8783038 RLCQAUYKWKYDMI-KRWDZBQOSA-N 380.227 4.730 0 40 GJAB O=C(COc1ccc(F)cc1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 10690542 TWBMEJZSCRMHDA-OAQYLSRUSA-N 388.442 4.634 0 40 GJAB Cc1cccc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)n1 12143947 OVUFRQNTACGJNN-FQEVSTJZSA-N 391.471 4.891 0 40 GJAB Cc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)on1 12422387 PENWAWGOUKYZJO-UHFFFAOYSA-N 389.436 4.590 0 40 GJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)[C@H](C)c2ccccc2)c1 12809708 PNXYKVYKKPPNAL-MRXNPFEDSA-N 380.517 4.526 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccccc2Cl)cc1 13041258 HBHINKLHMQMSLK-OAHLLOKOSA-N 388.895 4.586 0 40 GJAB C[C@@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1Br 13063305 SXZJEAIOYBAHNL-SNVBAGLBSA-N 385.664 4.531 0 40 GJAB COc1ccc(CN(Cc2ccncc2)Cc2cccc3cccnc23)cc1OC 13989953 MFMQUTQNIGQBBY-UHFFFAOYSA-N 399.494 4.849 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 14013348 LKOWKYXEZRTRIB-INIZCTEOSA-N 387.501 4.518 0 40 GJAB Cc1ccc2cccc(OCC(=O)c3cc(C)n(-c4nccs4)c3C)c2n1 14339446 SSXBJJZJHVJWMM-UHFFFAOYSA-N 377.469 4.669 0 40 GJAB CS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)ccc1Cl 15982621 FCPUGJVRNYMBBQ-UHFFFAOYSA-N 397.883 4.567 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 18944054 YCOMVEVGSXTCQD-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CC(=O)c1cccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)c1 19816272 CITUSMDIVYBOSR-UHFFFAOYSA-N 383.835 4.554 0 40 GJAB Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 20241790 ZGBQMSSQFDLODF-UHFFFAOYSA-N 399.538 4.565 0 40 GJAB COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 22075106 UFHOGLLBTUQNFZ-NRFANRHFSA-N 397.902 4.751 0 40 GJAB OC[C@@H]1CCCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)C1 23968317 HWYNHULEXMWMKS-OAHLLOKOSA-N 375.497 4.720 0 40 GJAB O=C1CN(C(=O)C2CCCCC2)[C@@H](c2ccccc2)c2ccc(Cl)cc2N1 28048045 LQWWBQGWQJGHOD-NRFANRHFSA-N 382.891 4.790 0 40 GJAB COc1ccc([C@@H]2SCCN2C(=O)Nc2cccc(Cl)c2)cc1OC 28232364 HTOCKUFOXXUXPS-KRWDZBQOSA-N 378.881 4.637 0 40 GJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 32854810 FIWXLAISUMZYIF-UHFFFAOYSA-N 395.455 4.511 0 40 GJAB Cc1cccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3)no2)c1 33324935 HHWDOOBMFJVFIW-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O)/C(=C/c3cn(C)nc3C)C[C@H]12 36005140 MEPYNTVXLJQGPP-DJRBHIHUSA-N 392.543 4.648 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(=O)c(OCc2ccccc2)co1 36358350 KBJIAIOROTUWDV-UHFFFAOYSA-N 390.222 4.778 0 40 GJAB Cc1ccc(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 38896505 XIZBFJZMQHLPDG-UHFFFAOYSA-N 384.523 4.585 0 40 GJAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 39141508 GQZODCSELPBINF-QGZVFWFLSA-N 386.923 4.580 0 40 GJAB Cc1ccc(-n2c(C)nnc2Sc2nc3cc(C)nn3c3ccccc23)cc1 40071539 LHDJPHINPGRRTM-UHFFFAOYSA-N 386.484 4.540 0 40 GJAB CCCCCNC(=O)C1CCN(C(=O)c2oc3ccc(Cl)cc3c2C)CC1 40108102 VMKBBFTUDRDJPD-UHFFFAOYSA-N 390.911 4.553 0 40 GJAB O=C(c1cc(Nc2ccc(Cl)cc2)c2ccccc2n1)N1CCSCC1 44169639 PPRDXDNCVJPVFQ-UHFFFAOYSA-N 383.904 4.821 0 40 GJAB CC(C)(C)c1cc(NC(=O)CCCc2nc(C(C)(C)C)no2)n(C(C)(C)C)n1 48366335 RJABJLWGHWESNK-UHFFFAOYSA-N 389.544 4.578 0 40 GJAB CCc1ccc(-n2nc(-c3nc(-c4ccccc4)no3)c3ccccc3c2=O)cc1 64950057 BGSCEPOYUHRZID-UHFFFAOYSA-N 394.434 4.665 0 40 GJAB COCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1Cl 65729759 ROZIQMZZCFPHDM-UHFFFAOYSA-N 391.870 4.955 0 40 GJAB O=C(CCSc1ccccc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200211 MFCDGWBJAHJWJY-RBUKOAKNSA-N 398.528 4.845 0 40 GJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C 118932764 DSIXHBFXZSSULK-HTVKZPTGSA-N 387.608 4.935 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)COc1cccc3ccccc13)CC(C)(C)O2 218915115 QUKLUIWUTOUIRS-HXUWFJFHSA-N 391.467 4.646 0 40 GJAB O=C(Nc1ccccc1Sc1ccccc1)c1cn2c3c(cccc3c1=O)CC2 223093322 LMQJMFHMLUMFBH-UHFFFAOYSA-N 398.487 4.961 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)c1 223338648 CRVJJYFVYYYUFR-OAQYLSRUSA-N 381.472 4.538 0 40 GJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)c1 224518525 SIEYPLRKNXRNEE-ROUUACIJSA-N 381.526 4.637 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225699365 CNHVBZPHIRPUCK-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225826671 KUWWSUPUBCLNMU-JOCHJYFZSA-N 393.524 4.822 0 40 GJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C(=O)OC)c1 225845631 OVMFNJBIOUVQQF-NRFANRHFSA-N 379.497 4.576 0 40 GJAB Cc1noc(C)c1C(=O)Nc1ccc(CC[C@H]2CCN(C(C)C)C[C@H]2C)cc1 248009888 QOUXTAVDFMTSHT-UZLBHIALSA-N 383.536 4.843 0 40 GJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3sccc3C)CC2)n1 257262137 LKGGETUFSIGASK-UHFFFAOYSA-N 395.528 4.997 0 40 GJAB CCCCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OC 408531134 KWWLGOKZDORVSU-UHFFFAOYSA-N 376.836 4.567 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c(C)c1 408679703 KAJPNNTUXOGNLG-HNNXBMFYSA-N 395.927 4.913 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3C)n2)c1 408698426 NSOMXFZEELJTIW-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB S=C(c1ccc(OCCOc2ccccc2)cc1)N1CCc2ccccc2C1 409207347 SJVAWAJOCQOBIC-UHFFFAOYSA-N 389.520 4.878 0 40 GJAB O=C(NCc1cccc(F)c1)c1ccc(Oc2cccc(Cl)c2Cl)nn1 607783130 LGQSTHVQBVLPLU-UHFFFAOYSA-N 392.217 4.645 0 40 GJAB c1ccc(Cc2nc3c(c4nnnn24)C2(CCCCC2)Cc2ccccc2-3)cc1 850680 ZDVKNNNWSKBQMN-UHFFFAOYSA-N 381.483 4.535 0 40 GJAB Fc1ccc(-c2cc3nc(-c4ccccc4)cc(NC[C@H]4CCCO4)n3n2)cc1 1341247 LASUDFMSQRMUBH-LJQANCHMSA-N 388.446 4.793 0 40 GJAB O=C(Sc1ccc(F)cc1)N1CCN(C(=O)Sc2ccc(F)cc2)CC1 1573484 DKDYKFDNBQEDMU-UHFFFAOYSA-N 394.468 4.707 0 40 GJAB CCCC(=O)Nc1c(-c2ccc(C)cc2)c(=O)c(C)nn1-c1ccc(C)c(C)c1 2204997 PXXMTRJGWMJSQX-UHFFFAOYSA-N 389.499 4.872 0 40 GJAB CCOC(=O)c1c(C)nn2c1N[C@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F 2279190 WQNJTZOQAWCSIM-QWHCGFSZSA-N 387.789 4.682 0 40 GJAB Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 2302224 YPSPMGPZNYUFJZ-XZOQPEGZSA-N 396.425 4.630 0 40 GJAB CCCCOc1ccc(C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)cc1 4315535 GTJUKOIDNBMJRJ-UHFFFAOYSA-N 395.528 4.778 0 40 GJAB O=C(COC(=O)c1cc(Cl)ccc1O)c1ccc(OCc2ccccc2)cc1 4519783 OUQDKZLAXROHKC-UHFFFAOYSA-N 396.826 4.664 0 40 GJAB CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 4698591 IOTUMJOUPMRWLR-LJQANCHMSA-N 394.515 4.864 0 40 GJAB Cc1cccc(COc2ccccc2C(=O)OCC(=O)Nc2ccc(F)cc2)c1 4881462 DQFIRVWOLOYFJY-UHFFFAOYSA-N 393.414 4.509 0 40 GJAB O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)c1cccc(Cl)c1 4922774 DNUIQYRMWPBKDS-UHFFFAOYSA-N 391.902 4.919 0 40 GJAB CCOc1ccc(CC(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1 5136988 HUZUCYSJMRMGSK-UHFFFAOYSA-N 398.503 4.558 0 40 GJAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)c1 5217449 NSRJWEIWAMQCKX-OYDLWJJNSA-N 399.506 4.711 0 40 GJAB FC(F)(Cl)c1cc(-c2cccs2)nc2nc(N3CCOCC3)sc12 5688275 BKVYGZNVTUPUGE-UHFFFAOYSA-N 387.864 4.545 0 40 GJAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 5847850 SFMBVCAPNDLUDM-UHFFFAOYSA-N 383.517 4.531 0 40 GJAB O=C1/C(=C/Nc2ccc(O)cc2)c2ccccc2C(=O)N1c1cccc(Cl)c1 6455146 YFMFCDNGHLTNOT-DEDYPNTBSA-N 390.826 4.686 0 40 GJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(C(C)C)on1 6818576 KPQYQFSHICQKHD-UHFFFAOYSA-N 384.457 4.956 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(C)ccc2C)c1C 6946816 KACKLKMJCVCMBV-UHFFFAOYSA-N 376.456 4.518 0 40 GJAB O=C(c1cc2ccccc2cc1O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8038069 WZAJSQYKCFYCRZ-FQEVSTJZSA-N 389.451 4.684 0 40 GJAB COc1ccccc1OCCNc1ncnc2cc(-c3ccc(F)cc3)sc12 8428808 PLLIFLBIOKYLBF-UHFFFAOYSA-N 395.459 4.997 0 40 GJAB Cc1ccc(NC(=O)N(Cc2ccccc2)c2nnc3n2CCCCC3)cc1 8550219 CSPULEKKSASVNC-UHFFFAOYSA-N 375.476 4.552 0 40 GJAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1cc(-c2ccccc2)no1 9256472 NYCNEJOCKFQVOR-UHFFFAOYSA-N 385.448 4.828 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3cccc(C)c3C)cs2)cc1 9625367 LJOLZKGUTDCMER-UHFFFAOYSA-N 394.500 4.894 0 40 GJAB O=c1[nH]c2c(s1)[C@@H](c1ccc(Br)cc1)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11990743 SQFALPKIUAOVMZ-AMUSXGDXSA-N 394.359 4.851 0 40 GJAB O=C(CSc1ncc(-c2ccc(Br)cc2)[nH]1)c1cccs1 12539929 IUBQZXNDVRMJMB-UHFFFAOYSA-N 379.304 4.876 0 40 GJAB O=C(c1ccoc1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 12552826 QAWKNQDMLDIKFZ-UHFFFAOYSA-N 386.904 4.620 0 40 GJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(Cl)cc1 12700228 XZRKLIMYVOFOBW-ZDUSSCGKSA-N 398.919 4.917 0 40 GJAB CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 14664096 PCZQIRAFTSSZMO-UHFFFAOYSA-N 380.488 4.742 0 40 GJAB CSc1ncc(C(=O)Nc2cccc3cccnc23)n1-c1ccc(F)cc1 15321041 GXDFUKAZYWYBOW-UHFFFAOYSA-N 378.432 4.534 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2csc(-c3ccccc3)n2)c1 15832413 UYQAFAIWYDZHMK-UHFFFAOYSA-N 380.513 4.937 0 40 GJAB O=c1nc(SCc2ccc(F)cc2)c2c(n1-c1ccc(Cl)cc1)CCC2 15840469 BXTVNFALKKFPAJ-UHFFFAOYSA-N 386.879 4.806 0 40 GJAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(COc2ccc3ccccc3c2)o1 16694499 HEUMSEQEVFTNRB-UHFFFAOYSA-N 397.434 4.818 0 40 GJAB COc1cc2cc(C3CCN(C(=O)c4csc(C)c4)CC3)ncc2cc1C 19127187 CWHPDAHVKZJGEE-UHFFFAOYSA-N 380.513 4.942 0 40 GJAB O=C(c1ccccc1)N1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19693001 ZQBYLFPEXKUCRY-JOCHJYFZSA-N 392.886 4.540 0 40 GJAB O=c1c2cnc(N3CCCCC3)nc2ccn1-c1ccc(Oc2ccccc2)cc1 19958833 OTAFXZHKWANTAB-UHFFFAOYSA-N 398.466 4.563 0 40 GJAB CC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1 23395741 RFZKIIGTUDSARJ-UHFFFAOYSA-N 377.444 4.634 0 40 GJAB O=C(Nc1cnn(Cc2ccc(F)cc2)c1)Nc1ccccc1C(F)(F)F 27920622 VFGWPFRWFNFIBY-UHFFFAOYSA-N 378.329 4.733 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(Cl)c1 30756222 VDWLZAHGJDWBCC-NSHDSACASA-N 382.243 4.576 0 40 GJAB COc1ccc(-c2nc(CSCC(=O)Nc3cccc(F)c3)cs2)cc1 31413266 YUTMFNDAMOVPQQ-UHFFFAOYSA-N 388.489 4.830 0 40 GJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1c(F)cccc1Cl)CC(O)=N2 32087680 HLRLDTJDQQKSKC-VIFPVBQESA-N 392.221 4.540 0 40 GJAB COc1cc(OC)cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c1 32772713 UALUDGGYKSDHNY-SFHVURJKSA-N 382.485 4.681 0 40 GJAB CCc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 35311817 WTKBULSCTIMOOH-FRIKZZABSA-N 377.532 4.956 0 40 GJAB COc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2F)cc1 40485296 HMYOLBPPIRTQDG-QFIPXVFZSA-N 389.426 4.887 0 40 GJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 59321194 YHXUPDYVULZQCE-QGZVFWFLSA-N 384.476 4.562 0 40 GJAB CCOc1ccc(-c2cc3c(=O)n(Cc4cccc(C)c4)ccn3n2)cc1Cl 64774981 KOHCJPLFRAEYKH-UHFFFAOYSA-N 393.874 4.572 0 40 GJAB CCCn1cc(-c2nc(-c3ccc(OCC)cc3)no2)c(=O)c2ccccc21 64963666 SWTZLRHAVSFGRP-UHFFFAOYSA-N 375.428 4.527 0 40 GJAB COc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 95471179 VXIKIRYXWXDBTB-UHFFFAOYSA-N 393.462 4.621 0 40 GJAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ncccc2C)c1 95946551 AZCRNDUAGIFFQF-UHFFFAOYSA-N 398.466 4.563 0 40 GJAB CCCN1C(=O)/C(=C/c2ccc(OC)cc2)N=C1SCc1ccc(F)cc1 96893661 CBMGOQMLXAFQPS-UYRXBGFRSA-N 384.476 4.717 0 40 GJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 118930412 UKIIXHVIHAJCMP-HLUGGLNXSA-N 388.548 4.735 0 40 GJAB Cc1cc(OCC(=O)NCCCc2ccc(Cl)cc2)ccc1Br 218825328 IKBLBSPKNWSJBS-UHFFFAOYSA-N 396.712 4.539 0 40 GJAB CC(C)CSc1nnc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)s1 222913550 BLRSUVDJYZCMBK-CYBMUJFWSA-N 387.530 4.845 0 40 GJAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCC2 223224577 XVNLAMCWQFVPAU-KRWDZBQOSA-N 396.962 4.918 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)COc3cccc4ccccc34)s2)cc1 224826723 DKDLCFWIOJBMRJ-UHFFFAOYSA-N 375.453 4.684 0 40 GJAB Cc1ccccc1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224875361 XKPIVYITQKXCPJ-UHFFFAOYSA-N 385.261 4.984 0 40 GJAB Cn1c(=O)sc2cc(NC(=O)CCCSc3ccc(Cl)cc3)ccc21 225065767 WHFQRXOEEAHVAW-UHFFFAOYSA-N 392.933 4.764 0 40 GJAB CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226339896 LYYKSOZKWCNJEB-UHFFFAOYSA-N 387.632 4.997 0 40 GJAB O=C(NCCc1ccc(-c2ccoc2)s1)c1ccccc1Br 390832383 ZDIUMECGEZNQBV-UHFFFAOYSA-N 376.275 4.743 0 40 GJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1OC 409000266 YBSZUCDWAIOZQE-UCCCNAJCSA-N 379.456 4.699 0 40 GJAB CC(C)c1ccc([C@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc1 409119535 WWNBGIYONJIHDX-HXUWFJFHSA-N 391.467 4.876 0 40 GJAB O=C(NC1CCCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409409302 HCVIGAVHVSFZEO-QFIPXVFZSA-N 398.528 4.506 0 40 GJAB CCC[C@@H](NC(=O)c1ccccc1)c1noc(C2(C)CCC(F)(F)CC2)n1 528148119 QQUKIAYAYVVQIV-OAHLLOKOSA-N 377.435 4.808 0 40 GJAB CC[C@@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3cccc(OC)c3)ccc21 585105695 DLQADCHIHHBUBN-QGZVFWFLSA-N 379.500 4.803 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)CCc3cccs3)CC[C@@H]2N1c1cccc(F)c1 1615154559 GRZGBYPSXRSCMU-UZLBHIALSA-N 386.536 4.726 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)N4[C@H](C)CCC[C@H]4C)n3c2c1C 903168 PGSWCYIEIFVXQS-HZPDHXFCSA-N 396.560 4.689 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)c4ccc(F)cc4)n3c2c1C 903171 OYHALEGDNODFSE-UHFFFAOYSA-N 379.460 4.922 0 40 GJAB COc1ccc(C(=O)N[C@@H](Nc2ccccc2C)C(Cl)(Cl)Cl)cc1 1446723 LXLHFQLZVAWUGZ-MRXNPFEDSA-N 387.694 4.542 0 40 GJAB biogenic COc1ccc(OC)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 2131798 PBFDBBOAYIUXAQ-UHFFFAOYSA-N 384.259 4.808 0 40 GJAB CCOc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2ccccc2)cc1 2656350 BCULFCVAGRKCIT-FQEVSTJZSA-N 393.512 4.937 0 40 GJAB Cc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)cc1 4359639 VKTJNFXNVZZIJU-UHFFFAOYSA-N 387.936 4.857 0 40 GJAB COc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1Cl 5084714 YSMNFTJUCNLQNL-UHFFFAOYSA-N 399.903 4.782 0 40 GJAB C[C@@H]1c2cc3c(cc2CCN1C(=O)c1cc(Cl)cc(Cl)c1)OCCCO3 5425912 UXGDUAYZFFZANA-GFCCVEGCSA-N 392.282 4.914 0 40 GJAB Brc1ccc(Nc2ncnc3sccc23)c(Br)c1 5700913 SJWRHSMEXBQZCO-UHFFFAOYSA-N 385.084 4.960 0 40 GJAB Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccco2)c(C)c1 5793547 LVYLVTMSSGTHQP-UHFFFAOYSA-N 380.469 4.880 0 40 GJAB COc1ccccc1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 6272063 IIVQZWFWMNPGJK-UHFFFAOYSA-N 377.284 4.914 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(Br)c2)C1=O 6656359 RIBKDFUITUUPKJ-NTEUORMPSA-N 384.295 4.683 0 40 GJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N(C)c1ccccc1 7160760 GQYCHDPODQGLGU-LBPRGKRZSA-N 391.418 4.792 0 40 GJAB COc1ccccc1CNC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699861 ZYNJKEJKSGOKHV-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CC(c1ccccc1)c1ccccc1 7782954 IKXRBOUGAIVTMW-UHFFFAOYSA-N 387.479 4.638 0 40 GJAB Cc1cc(NC(=O)c2ccc(CSc3nnnn3C3CC3)cc2)ccc1Cl 8231291 RZKOKBOYKORZAF-UHFFFAOYSA-N 399.907 4.514 0 40 GJAB COc1cccc2cc(C(=O)Nc3cc(C)ccn3)/c(=N/c3ccc(C)cc3)oc12 9435175 JZVDUGWLYCANRS-LCUIJRPUSA-N 399.450 4.938 0 40 GJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)[C@H](C)c1ccccc1 10226430 ZUGHSRCTFUCPBM-QGZVFWFLSA-N 386.499 4.652 0 40 GJAB Cc1cc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(C)o1 10908458 UGVFSADDEJXQJY-UHFFFAOYSA-N 389.430 4.818 0 40 GJAB CCOc1cc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)nc(C)n1 12225487 SRBYGAYVPXBQQC-UHFFFAOYSA-N 396.878 4.762 0 40 GJAB C[C@H](SCc1cccc(Cl)c1)C(=O)N1c2ccccc2NC(=O)C1(C)C 12591482 GNQBBBHJBZXUPQ-ZDUSSCGKSA-N 388.920 4.726 0 40 GJAB Cc1ccc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1C 12628689 FVYCVOYYQZVOHE-QFIPXVFZSA-N 383.495 4.904 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1Cl 12748024 FNUOXTSBTSGUDF-UHFFFAOYSA-N 377.878 4.736 0 40 GJAB COc1cccc(C[C@]2(CO)CCCN(Cc3cc4ccccc4s3)C2)c1 12763388 KAZDKPJHCHCZEP-HSZRJFAPSA-N 381.541 4.727 0 40 GJAB Cc1ccc(CN(CCc2ccccc2)Cn2nc(C3CC3)[nH]c2=S)s1 12814032 FMGZHMUCAKRQJS-UHFFFAOYSA-N 384.574 4.890 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cn1 13002629 GKFVSUBGUGINLU-UHFFFAOYSA-N 389.333 4.506 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1C(=O)c1cccs1 13014686 CVPXRQVRMHGXKH-CQSZACIVSA-N 383.300 4.688 0 40 GJAB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCO3)CC(O)=N2 13550761 PVZHZKKLGSIIJY-OAHLLOKOSA-N 381.819 4.686 0 40 GJAB Cc1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 14607724 GBOHPESERGMUMJ-OZSKJFCKSA-N 398.441 4.697 0 40 GJAB C[C@@H]1CCc2c(sc3ncn4nc(C56CC7CC(CC(C7)C5)C6)nc4c23)C1 15107785 HUORWJDSZIVIIQ-HCVBEMKVSA-N 378.545 4.932 0 40 GJAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 15832063 NCCXJNXZTWZBJJ-QGZVFWFLSA-N 378.472 4.618 0 40 GJAB CC(C)OC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 16807930 DTZMCUBPEMJDCL-UHFFFAOYSA-N 387.892 4.631 0 40 GJAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2oc3ccc(C)cc3c2C)CC1 19220494 YRGZPPHGFSUOKL-UHFFFAOYSA-N 394.490 4.816 0 40 GJAB Cc1c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)sc2ccccc12 21637135 JKNIGGJTYWAXHV-OAHLLOKOSA-N 376.485 4.624 0 40 GJAB CCN(CC)[C@@H](CNC(=O)COc1cc(C)cc(C)c1)c1ccccc1Cl 27579696 DTNDYBVBBMCKER-NRFANRHFSA-N 388.939 4.535 0 40 GJAB CCCC[C@@H](CC)c1nnc(NS(=O)(=O)c2cccc3cccnc23)s1 27924891 YHTZAFUYSPGYPJ-CYBMUJFWSA-N 390.534 4.571 0 40 GJAB O=C(Nc1ccc(Cl)c2ncccc12)c1ccc(NC(=O)c2ccco2)cc1 32909748 XUZQCUUPDBDULO-UHFFFAOYSA-N 391.814 4.986 0 40 GJAB COc1ccc(Cl)c(NC(=O)c2nnn(-c3ccc(C)cc3)c2C(C)C)c1 36636106 YPQVFXOWYYWIIJ-UHFFFAOYSA-N 384.867 4.613 0 40 GJAB Cc1ccc(-n2nnnc2SCc2cc(-c3ccc(Cl)cc3)no2)c(C)c1 40024153 JUJPNFCXQCRCBA-UHFFFAOYSA-N 397.891 4.880 0 40 GJAB C[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc(OC(F)F)cc1 40059901 LGWMMOBDYNNDMW-CYBMUJFWSA-N 385.410 4.943 0 40 GJAB Cc1cc2ncn(CCCC(=O)Nc3ccccc3N3CCCC3)c2cc1C 40135222 KHJRQHLMCWDBJE-UHFFFAOYSA-N 376.504 4.672 0 40 GJAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](C)c1ccccc1 40142836 NDAHCHHMWHKZLL-AWEZNQCLSA-N 382.460 4.939 0 40 GJAB Cc1c(Cl)ccc2c(NC(=O)c3c[nH]c4c(Cl)cccc4c3=O)ccnc12 40359273 XSALELPFSCGEDF-UHFFFAOYSA-N 398.249 4.944 0 40 GJAB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(C(C)C)cc3)nn12 57316186 XZUVRRSIMIOEQG-UHFFFAOYSA-N 377.473 4.537 0 40 GJAB CC(C)[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(-c2ccncc2)no1 58226823 BBBLFLRYVVKVSO-GOSISDBHSA-N 396.516 4.589 0 40 GJAB c1csc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 67321536 KHSLOHXNPCVGOQ-JTSKRJEESA-N 390.464 4.762 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Nc3ccccc3)nc2)cc1 72214087 ABFNWQLCTPCBIR-OAQYLSRUSA-N 393.512 4.659 0 40 GJAB CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1ccncc1 72284288 WOEMSLUQXQTUHD-UHFFFAOYSA-N 379.426 4.609 0 40 GJAB O=C(NCc1nc2ccccc2s1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 95469938 MQQUVYAUJJNQJV-QWHCGFSZSA-N 376.403 4.735 0 40 GJAB Cc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccccc5)oc4c32)o1 96116341 VHICKUSCSQDLHF-AWEZNQCLSA-N 388.375 4.508 0 40 GJAB biogenic Cc1cccc(Cl)c1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 98211361 NSLTWKAVINBGPB-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 219335421 BFWBPNRBVREWGT-KRWDZBQOSA-N 399.516 4.621 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)COc1ccc(C)cc1 219338119 BAOWEJKOKDKBGI-AVRDEDQJSA-N 377.484 4.889 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)COc1ccccc1C 219348286 OTYYPFBTNGRWJP-PGRDOPGGSA-N 377.484 4.889 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 222712056 VGGGSLXMIQMKDB-JKSUJKDBSA-N 379.456 4.502 0 40 GJAB CCC1(CC)C[C@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2O1 224470858 LLWUUOFQYNIUNM-FQEVSTJZSA-N 392.499 4.626 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225167365 CCABAMSIYJBDAN-SFHVURJKSA-N 384.501 4.748 0 40 GJAB COc1ccccc1OC[C@@H](C)NC(=O)CCc1ccc(Cl)cc1Cl 225380155 XRVZBRRBRONSOZ-CYBMUJFWSA-N 382.287 4.518 0 40 GJAB CCCO[C@]1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCC[C@@H](C)C1 225667367 XQAHITWTDCTUFW-FOIQADDNSA-N 383.916 4.679 0 40 GJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC(C)C)cc1 225716197 CZOYVKIKTFJPQW-QHCPKHFHSA-N 394.559 4.514 0 40 GJAB C[C@H](COc1ccccc1)NC(=S)Nc1ccc(Br)c(Cl)c1 225783006 DMVRUUKPPQHORQ-LLVKDONJSA-N 399.741 4.856 0 40 GJAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc(Br)cc2)n1 225917652 ZYVYWPCLPVCIHJ-UHFFFAOYSA-N 397.276 4.852 0 40 GJAB C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1[C@H](C)CCC[C@H]1C 245284877 UNHYISUNSMWEAB-QRVBRYPASA-N 379.500 4.540 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)NCc1ccnc(-c2ccncc2)c1 390828479 RGBWVEHTYWTOQN-UHFFFAOYSA-N 393.490 4.982 0 40 GJAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3cc(C)ccc3C)n2)cc1 408527248 LLLMOANPLCVOAP-UHFFFAOYSA-N 393.512 4.808 0 40 GJAB CCCC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 408620631 IARUVJXQDHPZIH-UHFFFAOYSA-N 381.259 4.993 0 40 GJAB CC[C@@H](c1cccc(OC)c1)N(C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 585083902 XQZVDFCGZPCZMD-FQEVSTJZSA-N 395.528 4.501 0 40 GJAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCO[C@@H](c2cccc(F)c2)C1 589719637 LHBFHPBBOPRBKM-OAQYLSRUSA-N 384.451 4.753 0 40 GJAB Fc1ccc([C@H](OCCN2CCCC2)c2ccc(Br)cc2)cc1 702119 HCENOERZKIRXPE-LJQANCHMSA-N 378.285 4.790 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)c1 903027 LNZRMSRCLVWELD-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB CCOC(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccc(-c2ccccc2)cc1 988032 GWLBTTXHPLJSHI-UHFFFAOYSA-N 396.446 4.947 0 40 GJAB c1cncc(CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)c1 1339568 IQIYWBPOUPCIBY-UHFFFAOYSA-N 393.541 4.783 0 40 GJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc3ccc4ccccc4n23)cc1 1924301 RJWJIYPZDFZESS-CQSZACIVSA-N 376.485 4.564 0 40 GJAB CCc1cccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)c1 2117225 UZBPSQJKESDHBH-UHFFFAOYSA-N 375.468 4.899 0 40 GJAB biogenic CC(C)CC[C@H](CCNCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 2130576 UUVVUHWQQFXWDI-GOSISDBHSA-N 383.488 4.844 0 40 GJAB biogenic O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 2644520 JIQIRLRVKPCYFB-UHFFFAOYSA-N 398.869 4.645 0 40 GJAB Cc1cc(C(=O)OCc2ccc(COC(=O)c3cc(C)oc3C)cc2)c(C)o1 2654211 JMHUAEQVYIURND-UHFFFAOYSA-N 382.412 4.820 0 40 GJAB O=C(CCCSc1ccccc1)Nc1ccccc1I 3351848 SKZZYOHGJYJIJV-UHFFFAOYSA-N 397.281 4.802 0 40 GJAB COc1ccc([C@]23C[C@@H](C)Sc4ccccc4N2C(=O)C3(Cl)Cl)cc1 4658980 TWXWCGFGTNPMSD-XIKOKIGWSA-N 394.323 4.996 0 40 GJAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)c1 5396495 HBLFAEBAOOOOIO-AWEZNQCLSA-N 398.557 4.693 0 40 GJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)cc1C 5516296 OBNOOKLKXZPBFM-UHFFFAOYSA-N 383.469 4.678 0 40 GJAB COc1ccc(CSc2nc(-c3ccccc3Br)n[nH]2)cc1F 6009159 CSHJGENTJGQAQX-UHFFFAOYSA-N 394.269 4.674 0 40 GJAB CC(C)c1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 6346517 UKZVIRZLZBJXIR-UHFFFAOYSA-N 384.435 4.863 0 40 GJAB COc1ccc(-c2noc(CN(C(=O)c3ccoc3C)C3CCCCC3)n2)cc1 6661658 NMRLMXWGMOLVQC-UHFFFAOYSA-N 395.459 4.622 0 40 GJAB COc1ccccc1-c1nc2c3c(C)c(C)n(C4CCCCC4)c3ncn2n1 6759123 NDBJSFNPWVEGEP-UHFFFAOYSA-N 375.476 4.877 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 6988557 MAMUAINCAWHNOS-MRXNPFEDSA-N 380.488 4.517 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)c(C)c1 7966098 UZBJIJQWSMQKNP-UHFFFAOYSA-N 394.446 4.722 0 40 GJAB O=C(c1cc2cc(Cl)ccc2o1)N1CCC(c2nc3ccccc3[nH]2)CC1 9060278 YISWHDPVMHOGOG-UHFFFAOYSA-N 379.847 4.982 0 40 GJAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H]1c1cccs1 9117723 RNROAESHRSCKDJ-YLJYHZDGSA-N 383.561 4.903 0 40 GJAB Cc1ccc(-c2noc(COc3cccc(C(=O)NCc4ccccc4)c3)n2)cc1 9389378 HZRSWRLTFQSSRK-UHFFFAOYSA-N 399.450 4.554 0 40 GJAB C[C@@H](SCc1ccc2c(c1)OCO2)C(=O)N1CCC(Cc2ccccc2)CC1 9449173 LBLFFIZSJINICM-QGZVFWFLSA-N 397.540 4.518 0 40 GJAB C[C@H](CCCC(C)(C)O)NC(=O)c1csc(Nc2ccccc2Cl)n1 9846135 DIXNWYMUONOGKZ-GFCCVEGCSA-N 381.929 4.600 0 40 GJAB CCc1ccc2nc(Nc3nc(-c4ccccc4Cl)cc(=O)[nH]3)nc(C)c2c1 10157423 WYJDLZBQBJSEMD-UHFFFAOYSA-N 391.862 4.648 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1SCc1ccccc1 10690985 GKYKDCSCWLIINE-UHFFFAOYSA-N 377.465 4.638 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(Cl)ccc1Cl 10903403 PKEKZVOJQAWGCQ-UHFFFAOYSA-N 388.298 4.785 0 40 GJAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 12441121 ODYYFSYJPQHSKF-UHFFFAOYSA-N 389.499 4.563 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCc2sccc2C1 12847264 VCBPGZKITUSGEA-JOCHJYFZSA-N 392.524 4.885 0 40 GJAB Cc1cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(C)o1 12919934 ZWMAIGVTUORSMA-MRXNPFEDSA-N 376.456 4.982 0 40 GJAB CCOc1ccc([C@H]2CCCN2Cn2nc(NC(C)C)sc2=S)cc1 14187692 CXKYGQSLRJVZIM-MRXNPFEDSA-N 378.567 4.688 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 14566763 UJGMKMBAVYXHNP-UHFFFAOYSA-N 394.515 4.762 0 40 GJAB CC(=O)N1N=C(c2ccc(C3CCCCC3)cc2)Sc2c1nc(C)n2C(C)=O 16777668 ARXUOKUJPGNGTN-UHFFFAOYSA-N 396.516 4.720 0 40 GJAB COc1ccc(CC(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1F 18239009 RROWKSANRQGOKJ-UHFFFAOYSA-N 381.403 4.816 0 40 GJAB Cc1cccc(-c2n[nH]c(SCc3nnc(-c4ccccc4Cl)o3)n2)c1 19927599 HVXKCNXUNZHZGB-UHFFFAOYSA-N 383.864 4.776 0 40 GJAB O=C(CCc1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22226907 GQYKFPPRTXHUPV-UHFFFAOYSA-N 390.552 4.615 0 40 GJAB OC[C@@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c12)Cc1ccco1 24205952 CVFSTMALWUKXCD-CYBMUJFWSA-N 399.903 4.868 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 30943702 UNWOBXVDRSACRZ-WIYYLYMNSA-N 384.951 4.690 0 40 GJAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 32610175 NEGVQQGUZMIGKZ-ZWKOTPCHSA-N 397.425 4.557 0 40 GJAB CN(C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)[C@H]1CCCc2ccccc21 32744459 ZPVICSAELWDSGR-IBGZPJMESA-N 382.891 4.616 0 40 GJAB CC(C)c1cc(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c(O)c(C(C)C)c1 32776005 IBMHGPSTPAKXOZ-OAQYLSRUSA-N 383.488 4.625 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38853421 QYAMKPCXNLZICQ-CQSZACIVSA-N 381.278 4.983 0 40 GJAB CC(C)(C)OC(=O)Nc1cc(NC(=O)c2ccc(C(F)(F)F)nc2)ccc1F 40134605 UMMNWJIHULFRIR-UHFFFAOYSA-N 399.344 4.839 0 40 GJAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 40141089 AUWXDCMKFORHNW-UONOGXRCSA-N 382.426 4.666 0 40 GJAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(F)cc1 40396938 GJOMBTFBYPMELW-AUUYWEPGSA-N 390.462 4.910 0 40 GJAB COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCC[C@H]1c1ccc(F)cc1 47957552 IEMONVKDIUXJLI-FQEVSTJZSA-N 399.462 4.560 0 40 GJAB Cc1cc(-c2nnc(NC(=O)C3c4ccccc4Oc4ccccc43)o2)c(C)o1 56907245 VKPUIXDZSCHTMR-UHFFFAOYSA-N 387.395 4.823 0 40 GJAB CC(C)(C)c1ccc(CN(Cc2ccco2)Cc2nnnn2C2CCCC2)cc1 57614060 JVLGQDDHLXXDIU-UHFFFAOYSA-N 393.535 4.881 0 40 GJAB COc1ccc(C)cc1CC(=O)Nc1cccc(COCCc2ccccc2)c1 65092961 UELBYMGDVDSYKE-UHFFFAOYSA-N 389.495 4.944 0 40 GJAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4scnc4C)C3)n2)c1 72349822 FTPXJULLPJXTLV-GOSISDBHSA-N 377.513 4.842 0 40 GJAB CCN(Cc1csc(-c2ccc(F)cc2)n1)C[C@@H]1COc2ccccc2O1 84777601 MJMIBTWVUNBCIB-GOSISDBHSA-N 384.476 4.611 0 40 GJAB O=C(/C=C/c1ccccc1Cl)NCc1ccc([C@@H](O)c2cccs2)s1 90613601 IIEIFAPHSQKUCJ-VQFGERMISA-N 389.929 4.874 0 40 GJAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Nc3cccc(Cl)c3)CC1)O2 170550253 JVIVCCPUTHRRLH-UHFFFAOYSA-N 384.863 4.680 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C 222664634 TUHWSFLSWFFVIK-MRXNPFEDSA-N 375.534 4.649 0 40 GJAB Cc1cccc(OCC(=O)NCCSCc2c(F)cccc2Cl)c1C 222816775 DUKGSERLBWDLOD-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB S=C(NCc1ccc(Cl)cc1)Nc1ccc(N2Cc3ccccc3C2)nc1 223931052 MRKMSCINYVPQFD-UHFFFAOYSA-N 394.931 4.742 0 40 GJAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccccc3Cl)cn2)C1 223935202 ZNYHUPREBWVNCV-HUUCEWRRSA-N 388.968 4.704 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCOc2ccccc2Cl)cc(C)c1Cl 224137706 UTOIBNNCNVIAPM-AWEZNQCLSA-N 382.287 4.573 0 40 GJAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)C1(c2ccccc2)CCCC1 224768679 GFJHSLMLMMKEPA-UHFFFAOYSA-N 395.890 4.860 0 40 GJAB Cc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225588871 SEXIABMRXNLMCN-INIZCTEOSA-N 388.914 4.877 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1Cl 408706359 GPQNJKVHCDBBDF-ZDUSSCGKSA-N 384.328 4.810 0 40 GJAB O=C1N/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 409104536 JOJYPNXYRNHQLO-LDADJPATSA-N 398.249 4.881 0 40 GJAB FC(F)(F)c1cccc([C@@H](NCc2nc(-c3ccco3)no2)C2CCC2)c1 585081352 KNMZGNYLHFTKFF-KRWDZBQOSA-N 377.366 4.979 0 40 GJAB CCC[C@]1(CO)CCCN1C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 622558202 GKENNLJMZZMXPW-GOSISDBHSA-N 399.343 4.884 0 40 GJAB CC(C)c1c(-c2ccccc2)[nH]c2cc(I)ccc2c1=O 685938790 YEFFJUIWPJQRHP-UHFFFAOYSA-N 389.236 4.923 0 40 GJAB CC[C@H](C(=O)NCCc1c(C(F)(F)F)[nH]c2ccccc12)c1c(C)noc1C 1170954118 ZXWHUBOFGLLDEN-ZDUSSCGKSA-N 393.409 4.644 0 40 GJAB C[C@H](NC(=O)N1Cc2ccccc2NC(=O)[C@@H]1C)c1ccc(-c2ccccc2)cc1 1233564984 SPARLUNDYCUELF-ROUUACIJSA-N 399.494 4.967 0 40 GJAB CC1(C)C[C@H](C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)c2ccccc2O1 1635639461 DNPBCXAVCBEBIZ-INIZCTEOSA-N 383.398 4.638 0 40 GJAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Br)cc1 830060 GWLOTDPQZNRRTE-UHFFFAOYSA-N 385.217 4.547 0 40 GJAB C[C@@H]1CCCN(C(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)C1 922141 NMIDQEAECHFBJO-OAHLLOKOSA-N 395.503 4.787 0 40 GJAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)Nc3ccccc3F)n12 929745 UECHWVLOEBJQJC-UHFFFAOYSA-N 394.475 4.678 0 40 GJAB CCCC(=O)N1c2ccc(-c3csc(NC(=O)C(C)(C)C)n3)cc2C[C@H]1C 1365746 PPCLGLRNSOJRLG-CYBMUJFWSA-N 385.533 4.872 0 40 GJAB Cc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccc(Cl)cc2)cc1 2454422 BXGBLAKNHUUDHJ-IBGZPJMESA-N 383.904 4.917 0 40 GJAB COc1cc(OC)cc(-c2nnc(S)n2-c2ccc(Cl)cc2Cl)c1 4708040 ODFFHNLLXILFFC-UHFFFAOYSA-N 382.272 4.547 0 40 GJAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1ccc2c(c1)OCO2 4849496 GHNZYJINNHKCTM-UHFFFAOYSA-N 394.496 4.874 0 40 GJAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)[C@@H]1C 4863717 VJYHHKMHISXAIU-MDZRGWNJSA-N 391.939 4.636 0 40 GJAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cn(C)c2ccccc12 4956705 XXCWCLUPLFRNIY-FQEVSTJZSA-N 396.288 4.638 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1c(F)cccc1Cl 5099332 ZZALTMPLMGBWEP-UHFFFAOYSA-N 398.821 4.917 0 40 GJAB O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1C[C@H]1CCCO1 5129774 SOPQHCBKFVKOFC-MRXNPFEDSA-N 386.904 4.521 0 40 GJAB O[C@@]1(C(F)(F)F)CC(c2cccs2)=NN1c1nc(-c2ccccc2)cs1 5243170 XYSMJENXIMGCDA-MRXNPFEDSA-N 395.431 4.737 0 40 GJAB CSc1cccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1 5442737 VRPMEZKUHZHEFX-UHFFFAOYSA-N 392.480 4.678 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccccc1F)c1ccccc1 6058952 AFIKDCNVYPHEQN-OAQYLSRUSA-N 393.414 4.680 0 40 GJAB COc1ccc(CC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 6218313 WDHNXMXULDIGQN-UHFFFAOYSA-N 380.425 4.853 0 40 GJAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 6235651 VNNXZXDVMAJLFQ-UHFFFAOYSA-N 375.424 4.613 0 40 GJAB Cc1cccc(NC(=O)[C@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c1 6549671 FQICQADDJIUQMY-HNNXBMFYSA-N 378.501 4.572 0 40 GJAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 6629901 JZDMJLMAJSAJDO-UHFFFAOYSA-N 391.540 4.808 0 40 GJAB CCn1c2ccccc2c2cc(/C=C(\Sc3nnc(C)o3)C(=O)O)ccc21 7365710 ZFKSQJHLDABGNI-WQRHYEAKSA-N 379.441 4.724 0 40 GJAB Sc1nnc(-c2cccc(Br)c2)n1-c1cccc2ncccc12 8991171 PHXFLZCLOHMTDO-UHFFFAOYSA-N 383.274 4.534 0 40 GJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1ccc(-c2ccccc2)cc1 9548928 RHWUCTMWUHXJCG-UHFFFAOYSA-N 387.479 4.716 0 40 GJAB COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)ccc1OCc1c(C)noc1C 12805050 KPLMTMUJBFEIKK-PXNSSMCTSA-N 398.503 4.674 0 40 GJAB CCOc1cc2c(cc1OCC)CN(C(=O)c1oc3ccccc3c1C)CC2 12946186 ZACVGYBXJVYYRP-UHFFFAOYSA-N 379.456 4.737 0 40 GJAB Cc1cccc(-c2nn(CN(Cc3ccc(F)cc3)C3CC3)c(=S)n2C)c1 12983230 AKOCFBQTOCRVIL-UHFFFAOYSA-N 382.508 4.688 0 40 GJAB CN(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCCC1 13038808 GPMMQXLVJSNZNA-UHFFFAOYSA-N 382.348 4.927 0 40 GJAB Cc1ccc([C@@H](NC(=O)c2ccccc2Br)c2cccnc2)cc1C 15839761 WYBHNFZSOPWHQQ-HXUWFJFHSA-N 395.300 4.980 0 40 GJAB CCn1cc(C(=O)Nc2ccccc2C(F)(F)F)c(=O)c2cc(Cl)ccc21 22234892 GWXOQTLPHJGMOV-UHFFFAOYSA-N 394.780 4.946 0 40 GJAB Cc1cccc(C(=O)N(CCn2cccn2)c2nc3c(Cl)cccc3s2)c1 23144776 AYFTWDVZTPITTL-UHFFFAOYSA-N 396.903 4.802 0 40 GJAB CNC(=O)c1ccc(CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C2CC2)cc1 26901411 TZUPMAFULLTYMD-CXUHLZMHSA-N 390.527 4.548 0 40 GJAB CCCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)c2ccccn2)cc1 27794423 QFPKDQJBAFMSAQ-UHFFFAOYSA-N 376.456 4.726 0 40 GJAB Cc1ccc(-c2noc(COc3ccccc3C(=O)N3CCCCCC3)n2)cc1 32579173 IZXSGDDMIHXUCK-UHFFFAOYSA-N 391.471 4.640 0 40 GJAB CC1CCN([C@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)c2cccs2)CC1 32755597 BPKRMNUYHXDTHE-LJQANCHMSA-N 385.508 4.572 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 32791079 ZMXVJTFTJWLJOZ-WUXMJOGZSA-N 391.652 4.662 0 40 GJAB Cc1ccc(OCCC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1 32810836 XSZFUXCSZFWIPD-UHFFFAOYSA-N 380.513 4.555 0 40 GJAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 35314083 LHOSVBCMFGVLQV-QGZVFWFLSA-N 391.446 4.862 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)Nc1ccccc1C(F)(F)F 38489822 WZYZTGOKOKASGP-UHFFFAOYSA-N 389.377 4.649 0 40 GJAB Cc1cc(CN2CCN(C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2)on1 40096298 CBDZLANNNMSLJW-UHFFFAOYSA-N 384.524 4.580 0 40 GJAB O=S(=O)(Nc1cccnc1Oc1ccccc1)c1cccc(Cl)c1Cl 40146669 ATBXQVXMDDSOBX-UHFFFAOYSA-N 395.267 4.982 0 40 GJAB Cc1ccc(C)c(N2CCN(c3cc(C)nc(-c4cccc(F)c4)n3)CC2)c1 57519965 QCFICNAXQAKDBL-UHFFFAOYSA-N 376.479 4.535 0 40 GJAB Cc1c(F)cccc1/N=c1\oc2ccccc2cc1C(=O)NCc1ccco1 67295589 TZYQCZJEWCEOCE-LVWGJNHUSA-N 376.387 4.636 0 40 GJAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN(Cc3cnn(C)c3C)C2)n1 72353980 AUEGDZMJTOTZPO-OAQYLSRUSA-N 392.522 4.541 0 40 GJAB CC(C)[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(C2CCCCC2)cc1 78990845 RVMSPDOHVFEOCG-RPWUZVMVSA-N 398.591 4.801 0 40 GJAB Cc1nc(NC[C@@H](O)c2ccccc2C(F)(F)F)c2c3c(sc2n1)CCC3 84271732 IKHMAYQDGXZDDE-CQSZACIVSA-N 393.434 4.653 0 40 GJAB O=C(CCNc1ncc(C(F)(F)F)cc1Cl)N1CCCc2ccccc21 84581942 QAHJQHKUDXCTQD-UHFFFAOYSA-N 383.801 4.535 0 40 GJAB CN(c1ncc(C(F)(F)F)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 91365953 QOESEGUQCIBEPM-UHFFFAOYSA-N 393.837 4.590 0 40 GJAB CC(C)n1ccc2c(NC(=O)CCCN3Cc4ccccc4C3=O)cccc21 95478488 SMABXYRCGXEWEL-UHFFFAOYSA-N 375.472 4.597 0 40 GJAB CC(C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Br)cc1 95945539 ODCLPFVGVMPSPV-MRXNPFEDSA-N 375.266 4.766 0 40 GJAB O=C(Nc1c(NC2CCCCC2)c2ccccc2oc1=O)c1ccc(F)cc1 101096013 POMHRXKMOXBKPL-UHFFFAOYSA-N 380.419 4.929 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccccn2)C[C@@H](c2ccc(Cl)cc2)C1 102752924 CDAUPVNDJBUNPR-XIKOKIGWSA-N 393.834 4.747 0 40 GJAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223424798 AAAFZJCOXJFVTD-OFNKIYASSA-N 394.559 4.650 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCCC2)ccc1OC(C)C 225830590 JTRZSSVJTRLYMF-UHFFFAOYSA-N 391.508 4.719 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(Oc2ccncc2Cl)CC1 239611771 FEBWUPDSXHQPSH-UHFFFAOYSA-N 399.800 4.829 0 40 GJAB O=C(COc1ccccc1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257338509 YXTKBRNYTJSQCI-NRFANRHFSA-N 394.446 4.537 0 40 GJAB CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(F)cc1 408562625 QZXZEPAAZSGKHV-LNVKXUELSA-N 384.476 4.688 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(F)cc2)c(C)c1 408698029 LFWHVHNDJJGOLB-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(F)cc2)c1C 408698784 PNIJWNDQHIXPQM-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1ccccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 409158413 LCCWPDZRCOPFFM-UHFFFAOYSA-N 397.500 4.811 0 40 GJAB CC(C)c1cccc([C@H](C)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c1 527885203 SSZXOXMVGXULEG-SFHVURJKSA-N 379.548 4.680 0 40 GJAB CCSc1ccccc1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 575611890 ZVAKWQZYQFSXPV-IBGZPJMESA-N 383.538 4.991 0 40 GJAB Cc1cccnc1CN1CCC[C@H]1c1csc(NC(=O)c2ccc(F)cc2)n1 585274328 VHGJKKLWSDLGLD-IBGZPJMESA-N 396.491 4.575 0 40 GJAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)cc1F 1615154388 FLJCSGFIRFANFG-UTKZUKDTSA-N 384.470 4.793 0 40 GJAB Cc1cnc([C@H](C)CNC(=O)Nc2nc3ccc4scnc4c3s2)s1 1675306435 HTWTXWCRPBAAGK-MRVPVSSYSA-N 389.531 4.596 0 40 GJAB CC(C)N1CCC(N2C(=O)NCCCc3ccccc3[C@H]2c2ccccc2)CC1 2037978226 JKBUBFPEFCRYDF-XMMPIXPASA-N 391.559 4.607 0 40 GJAB CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1cccs1 710676 GIOCZGMITCJOSY-UHFFFAOYSA-N 397.496 4.554 0 40 GJAB Clc1cccc(-c2cc3nc4c(c(NCc5cccnc5)n3n2)CCCC4)c1 1341689 IZNQRPQPRKJAEE-UHFFFAOYSA-N 389.890 4.936 0 40 GJAB NC(=O)[C@H](c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl 1400171 XNYADOYXLCBLDN-KRWDZBQOSA-N 390.295 4.552 0 40 GJAB Cc1ccc(C)c(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)c1 2254244 HGSYFTKSNGIKGW-UHFFFAOYSA-N 388.471 4.586 0 40 GJAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ncnc2c1oc1ccccc12 2644800 AVUSYNKKRIFMJP-UHFFFAOYSA-N 395.484 4.783 0 40 GJAB COc1ccc2cc(OCc3nc4c5c(C)c(C)sc5ncn4n3)ccc2c1 2789756 GUTFLBWHBNRCHE-UHFFFAOYSA-N 390.468 4.697 0 40 GJAB COc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 3606076 ZEOQZYLBZBZUGW-UHFFFAOYSA-N 386.245 4.628 0 40 GJAB CCc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1 4036358 BIYVVFMRMNXGKL-UHFFFAOYSA-N 395.509 4.722 0 40 GJAB COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CN2CCCC[C@@H]2C)cc1 4169095 GAUGLBVEJRYEEX-RXVVDRJESA-N 378.516 4.552 0 40 GJAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CNc1ccc3c(c1)oc1ccccc13)C2=O 4600926 RNKMIWQDRWSWCD-HXOBKFHXSA-N 376.456 4.767 0 40 GJAB C[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NCc1ccco1 4601637 KYMYEKPMUZMSCB-CYBMUJFWSA-N 395.509 4.748 0 40 GJAB CCOC(=O)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1-c1ccccc1 4742351 BUHIRYGWUVZCPS-UHFFFAOYSA-N 377.831 4.893 0 40 GJAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)N1CCCC1 4830435 GTZVGGLTVOCKFL-MRXNPFEDSA-N 377.513 4.847 0 40 GJAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1C 5210414 SMZBVPJICZPPJY-HNNXBMFYSA-N 399.516 4.646 0 40 GJAB O=S(=O)(Nc1ccc(F)cc1)c1ccc(Br)c2ccccc12 5234348 ZGJMBOWIFDSSJT-UHFFFAOYSA-N 380.238 4.542 0 40 GJAB COc1ccc(Cl)cc1-n1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C)C3 6511853 NEKVGXHUYFKMHP-VIFPVBQESA-N 392.933 4.897 0 40 GJAB Cc1cc(NC(=O)/C=C/c2ccco2)c(C)cc1NC(=O)/C=C/c1ccco1 7791328 HCFNARXXXLMBQE-FIFLTTCUSA-N 376.412 4.793 0 40 GJAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc(N2CCCC2=O)c1 8071286 PLUWOZSVRFFOKL-UHFFFAOYSA-N 392.430 4.784 0 40 GJAB Cc1cccc(NS(=O)(=O)c2ccc(Oc3cccc(C(=O)O)c3)cc2)c1C 9356483 UQIUAQPNAMXWKZ-UHFFFAOYSA-N 397.452 4.595 0 40 GJAB O=S(=O)(Cc1c(F)cccc1Cl)Nc1ccc(OC2CCCC2)cc1 10112671 YYGITPWBHUCHNG-UHFFFAOYSA-N 383.872 4.742 0 40 GJAB COc1cc(Cl)c(NCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1OC 11100990 AGIJJMATMDHLHO-AWEZNQCLSA-N 398.890 4.800 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 11916221 ZKDNHFBEUOURES-IBGZPJMESA-N 398.503 4.999 0 40 GJAB CCOc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 12023786 WNBAMSIWOQBWQN-UHFFFAOYSA-N 397.478 4.868 0 40 GJAB COc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cc1OC(C)C 12345632 JSIMKAWAIIRDNQ-SVGJNIJCSA-N 399.506 4.636 0 40 GJAB Cc1cc(NC(=O)/C=C\c2ccccc2)n(-c2nc(-c3ccccc3)cs2)n1 12441728 NQKGIDVAAXZQET-SEYXRHQNSA-N 386.480 4.956 0 40 GJAB C[C@@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1cccc(C(F)(F)F)c1 12523272 YZRKOOOZXPEXCP-CYBMUJFWSA-N 386.377 4.730 0 40 GJAB COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 12784124 TXFRPAQAEUWRPH-PEKVBPLLSA-N 394.496 4.690 0 40 GJAB CCN(C(=O)Cc1nc(-c2cccs2)oc1C)c1nc2ccccc2s1 12897040 IIPNZVOGOKETFH-UHFFFAOYSA-N 383.498 4.917 0 40 GJAB Cc1ccc2c(C)c(CCC(=O)NCCCSc3ccccc3)c(=O)oc2c1 13014963 AZHDARHHZBTUPP-UHFFFAOYSA-N 395.524 4.641 0 40 GJAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)CC(C)C 13692755 PICFRTITPQZUNK-UHFFFAOYSA-N 390.549 4.641 0 40 GJAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1c(Cl)cccc1Cl 13988579 PRIZKHYZVBRINT-CYBMUJFWSA-N 399.343 4.675 0 40 GJAB CCOc1ccc([C@H]2CCCN2Cn2nc(-c3ccco3)n(CC)c2=S)cc1 14181815 OTBIVITUCNNFJB-GOSISDBHSA-N 398.532 4.887 0 40 GJAB Cc1ccccc1-c1nc(C2CC2)ncc1-c1nnnn1-c1ccc(Cl)cc1 16363053 HHMHNKYBNSVLKE-UHFFFAOYSA-N 388.862 4.626 0 40 GJAB C[C@@H](c1cccs1)N(C)Cc1nc(-c2cccc(Br)c2)no1 16435229 OTQMQALDLGOPAZ-NSHDSACASA-N 378.295 4.754 0 40 GJAB CCCCc1ccc(NC(=S)NC2CCN(C(=O)c3ccccc3)CC2)cc1 16705119 UFFQYSMIYFKZOP-UHFFFAOYSA-N 395.572 4.620 0 40 GJAB Cc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1 17042424 OXVSAHSLMFYOHU-UHFFFAOYSA-N 384.487 4.858 0 40 GJAB Cc1cc(C(=O)N2CCCC[C@@H]2c2ccccc2)c2c(C)nn(C(C)C)c2n1 17077053 MDWIJKMAUGLWIP-HXUWFJFHSA-N 376.504 4.996 0 40 GJAB CCC(=O)N1CCCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 17247803 FDUYUAVRLQBGAQ-UHFFFAOYSA-N 376.378 4.647 0 40 GJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)C3CC3)cc2N1 19083278 ZGBUYGVDRDUUJH-OWCLPIDISA-N 398.473 4.680 0 40 GJAB Cc1ccc([C@H](NC(=O)CCc2ccc3c(c2)C[C@@H](C)O3)c2cccnc2)cc1 19136651 IHXHKUMAIFUSHL-CJAUYULYSA-N 386.495 4.552 0 40 GJAB CCOC(=O)c1cnc2ccc(Br)cc2c1NCCc1ccccc1 19792115 YYCFGCMCPCZOHA-UHFFFAOYSA-N 399.288 4.829 0 40 GJAB COc1cccc(C(=O)Nc2ccccc2-c2nc(-c3cccs3)no2)c1 22459700 RFNFNYCTECAMHN-UHFFFAOYSA-N 377.425 4.726 0 40 GJAB Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 23741973 BYSAWDYTUOFHEU-QFIPXVFZSA-N 393.918 4.764 0 40 GJAB O=C1c2cccc3cccc(c23)N1C[C@H](O)COc1cc(Cl)ccc1Cl 24843823 QUYCQAHBJCVULN-AWEZNQCLSA-N 388.250 4.547 0 40 GJAB Cc1noc(C)c1CN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 29820500 NNSWMVLJOKUTFW-QGZVFWFLSA-N 382.291 4.591 0 40 GJAB C[C@H](N[C@@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 32759584 BKJUBXJOXMYEGH-JXFKEZNVSA-N 379.891 4.636 0 40 GJAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCC(C(C)(C)C)CC1 32964107 IPDOQZYKTMVPRC-UHFFFAOYSA-N 388.552 4.725 0 40 GJAB CC(=O)N1N=C(c2ccccc2)C[C@H]1c1nc2ccccc2n1Cc1ccccc1 33327223 RKXQNHBMMDSJHA-DEOSSOPVSA-N 394.478 4.782 0 40 GJAB Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 35073289 MUZJPFBLOFZGSM-BFQNTYOBSA-N 390.940 4.526 0 40 GJAB O=c1c2c3c(sc2ncn1[C@@H]1CCc2ccccc2N=C1O)CCCCC3 36367330 HJIBLUCDQSQYMO-MRXNPFEDSA-N 379.485 4.502 0 40 GJAB O=C(NCCSC1CCCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 39760048 BSVCGYXSKUPEGF-UHFFFAOYSA-N 395.012 4.734 0 40 GJAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cn1 40090805 FXKUKOZVFUYBPP-UHFFFAOYSA-N 393.443 4.591 0 40 GJAB CCN(CC)CCOC(=O)c1ccc(Nc2cc(C)nc3ccccc23)cc1 41127695 IKUOJRXFSBHECZ-UHFFFAOYSA-N 377.488 4.785 0 40 GJAB COc1cc(NC(=O)N[C@H](C)c2cccc3ccccc23)cc(OC)c1OC 43170464 KIDCUEQDNDJPAT-CQSZACIVSA-N 380.444 4.748 0 40 GJAB COC(=O)c1cc(Cl)c(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1OC 48112944 SJNNEPHKBYTPGV-OAHLLOKOSA-N 394.880 4.566 0 40 GJAB O=C(NCC1CCN(c2ccccn2)CC1)C1(c2ccc(Cl)cc2)CCCC1 49522607 AYWQENIRKUCBEL-UHFFFAOYSA-N 397.950 4.580 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)C[C@@H]3C(=O)Nc4ccccc43)ccc21 58008921 ZJLCVDNEZAVNGI-IBGZPJMESA-N 383.451 4.879 0 40 GJAB Cc1cccc(-n2c(C)nnc2SC[C@H](O)c2ccccc2C(F)(F)F)c1 60522620 LOZFEMDRYVKZAY-KRWDZBQOSA-N 393.434 4.729 0 40 GJAB CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)c3cccs3)ccc21 65322280 DSKCHKYPKJMATC-UHFFFAOYSA-N 382.533 4.917 0 40 GJAB Cc1ccc(C)c(Cn2ccn3nc(-c4cccc5ccccc45)cc3c2=O)c1 67260728 LYPGJRYUQOPPNB-UHFFFAOYSA-N 379.463 4.981 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359350 KLMWERHPACMKBF-KRWDZBQOSA-N 395.865 4.956 0 40 GJAB CC(C)c1ccccc1NC(=O)c1nnn(-c2ccccc2)c1-c1ccccn1 77100670 LELHGCJCQCENAR-UHFFFAOYSA-N 383.455 4.705 0 40 GJAB O=C(Nc1cccnc1Cl)N(CCN1CCCC1)Cc1ccc(Cl)cc1 79107184 NRPXADMFAAEZNH-UHFFFAOYSA-N 393.318 4.518 0 40 GJAB COc1ccc(CN(C)C(=O)CCCSc2ccc(Cl)cc2)cc1O 79109847 AHNIPIBWPCZAFB-UHFFFAOYSA-N 379.909 4.585 0 40 GJAB CCc1ccc([C@H]2C[C@H](C)CCN2c2cc(C)nc3nc(C(F)(F)F)nn23)o1 83825425 YYSFDVBAEGICJS-BXUZGUMPSA-N 393.413 4.585 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(OCC(F)F)n1 95979000 QBRJVYGOXZUORH-UHFFFAOYSA-N 393.777 4.595 0 40 GJAB CCS[C@H]1CCCC[C@H]1NCc1nnc(-c2cccc(Br)c2)o1 97165593 VUTCRULRLWUIAP-CABCVRRESA-N 396.354 4.653 0 40 GJAB O=C(OCc1ccc(Cl)nc1)C1C[C@@H]2CCC[C@@H](C1)C21SCCS1 102820412 ZMJXNKIWJZNQGX-GJZGRUSLSA-N 383.966 4.781 0 40 GJAB CC(C)Oc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 219679386 NJRFXGCPIUCENP-ZDUSSCGKSA-N 378.266 4.642 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 222949649 RBTDJWKJNPSGNV-HUUCEWRRSA-N 396.379 4.678 0 40 GJAB COc1ccc(/C=C(/C(=O)NCCOc2ccccc2C)c2ccccc2)cc1 223427640 NGXSNLYWNHKGRS-PTGBLXJZSA-N 387.479 4.739 0 40 GJAB COC(=O)c1cc(NC(=S)NC2(c3ccccc3)CCCC2)ccc1Cl 225861319 IKUKVCPLJSIMPJ-UHFFFAOYSA-N 388.920 4.883 0 40 GJAB COc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)c2ccccc12 225920210 KLHZBJIQCAZBMS-UHFFFAOYSA-N 395.430 4.678 0 40 GJAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)nc3)Cc3ccccc3C2)cc1 225933729 RIKXLPLIMPQNFL-UHFFFAOYSA-N 386.495 4.853 0 40 GJAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)nc1 257242547 IDBCDMNVFOCBPE-QYFOZDBKSA-N 387.483 4.773 0 40 GJAB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Br)c1OCC 408608437 LOCVYSJFORLQBW-UHFFFAOYSA-N 394.265 4.557 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(F)cc2)cc1 408698567 OCYWRWWBFBHDNR-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB COC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(C)cc2)sc2c1CCCC2 409171967 FSHVJRGGNODFEJ-ZDUSSCGKSA-N 389.542 4.841 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 409177523 GOEAXODUWTVWNB-UHFFFAOYSA-N 397.814 4.516 0 40 GJAB Cc1cc(CN[C@H]2CCCNc3ccccc32)ccc1I 545275615 CFAFALSJRZOEFT-SFHVURJKSA-N 392.284 4.636 0 40 GJAB Cc1cc(C)cc(-c2cc(NC(=O)[C@H]3CCN(c4ccccc4Cl)C3)n[nH]2)c1 1570720999 IOVZAVDUUPEDDQ-INIZCTEOSA-N 394.906 4.812 0 40 GJAB Cc1ccccc1OCC(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615122447 RLNBORFDUJIYBR-XMMPIXPASA-N 396.506 4.563 0 40 GJAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1 812972 CAEWZLBCMYMRAL-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 1314021 UQVSSMNHZMJRBZ-UHFFFAOYSA-N 378.394 4.957 0 40 GJAB Cc1cc2nc(-c3cccnc3SCC(=O)NC3CCCCC3)[nH]c2cc1C 1329280 LKDWTUYBOKMGCG-UHFFFAOYSA-N 394.544 4.783 0 40 GJAB COc1ccc2cc(-c3nc4ccc(Cl)cn4c3NC(C)(C)C)c(=O)[nH]c2c1 1330313 HPNHCEXRIUHUCT-UHFFFAOYSA-N 396.878 4.715 0 40 GJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 1930387 AUPVADIDDHYDDH-SVTZGKHISA-N 387.476 4.841 0 40 GJAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)ccc1O 2271251 VLMLGOLJFYAYBH-QFIPXVFZSA-N 390.439 4.571 0 40 GJAB Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccco1 2369666 JNKPCIXBACFHNG-UHFFFAOYSA-N 375.453 4.717 0 40 GJAB aggregator CCc1cc2c(SCC(=O)Nc3ncc(Cl)cc3Cl)ncnc2s1 2661879 ORUYRMHWXCQNMX-UHFFFAOYSA-N 399.328 4.686 0 40 GJAB COc1cccc(C2=N/C(=C/c3ccc(OCc4ccccc4C)cc3)C(=O)O2)c1 3003252 PEYMUAUEFAXZKT-OEAKJJBVSA-N 399.446 4.927 0 40 GJAB COC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 3069674 BSRTXIQVZTZUJF-UHFFFAOYSA-N 382.243 4.578 0 40 GJAB COc1ccc(CNC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3)cc2)cc1 3386387 COMYAEICULWAKM-QGZVFWFLSA-N 376.456 4.604 0 40 GJAB O=C1N/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccc(Cl)cc1 3864166 ZWBRASPYTHXADG-LDADJPATSA-N 378.815 4.693 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)CSc3ccc(Cl)cc3)sc2c1 4496558 XMTQTVIXARGNLI-UHFFFAOYSA-N 391.905 4.639 0 40 GJAB CCc1nc(N2CCN(c3ccc(Cl)cc3)CC2)c2oc3ccccc3c2n1 5155557 CQWHWRDCORFTNL-UHFFFAOYSA-N 392.890 4.918 0 40 GJAB CC(C)(C)c1cc(C([n+]2ccccc2)[n+]2ccccc2)cc(C(C)(C)C)c1O 5293134 WBRFKYWYXJEHBD-UHFFFAOYSA-O 376.544 4.657 0 40 GJAB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3F)cc1)S[C@@H](C)C(=O)N2 6678714 HXLMOJZPMMKMDJ-DJJJIMSYSA-N 397.475 4.599 0 40 GJAB CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc(Cl)ccc1OC 7610232 USLCBEUCCAHPPS-UHFFFAOYSA-N 387.892 4.602 0 40 GJAB Cc1ccc(SCc2cccc(C(=O)Nc3ccc(C(N)=O)cc3)c2)c(C)c1 7770172 GUETVWGOFHYAMK-UHFFFAOYSA-N 390.508 4.947 0 40 GJAB COc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)ccc1OCc1ccccc1 8161073 DTMOQFBRVRHVMC-CTNGQTDRSA-N 379.500 4.927 0 40 GJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(Br)cc1 8790824 YYEPESCJLUOEFR-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8868755 SGWVBFCQRKFSCH-LJQANCHMSA-N 394.298 4.580 0 40 GJAB CC1=C(C)[C@@H](NC23CC4CC(CC(C4)C2)C3)N(CCc2ccc(Cl)cc2)C1=O 9434372 VVBLRUULLKGMDX-GAWOJFTKSA-N 398.978 4.946 0 40 GJAB COc1ccc(CN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)C2CC2)cc1 10220109 HJJJLTWXJBEXCM-UHFFFAOYSA-N 387.483 4.563 0 40 GJAB Cc1ccc2c(C)c(CCC(=O)Nc3nc4c(s3)C[C@@H](C)CC4)c(=O)oc2c1 11448849 IYTDYMBJYLOFHQ-ZDUSSCGKSA-N 396.512 4.562 0 40 GJAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC[C@H](C(F)(F)F)C1 12521816 RTHKQRPACYVNPV-HNNXBMFYSA-N 385.389 4.711 0 40 GJAB O=C([C@H](Sc1nc(-c2ccccc2)cs1)c1ccccc1)N1CCOCC1 12819260 IEAVRHRHSVZNLR-LJQANCHMSA-N 396.537 4.502 0 40 GJAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccccc2Cc2ccccc2)c1 12911530 XYRXXORWNTWMLZ-UHFFFAOYSA-N 386.495 4.605 0 40 GJAB COc1ccc(NC(=O)CSCCOc2cccc(Cl)c2)cc1Cl 13005696 PACIFDRNHLJJKV-UHFFFAOYSA-N 386.300 4.753 0 40 GJAB CCc1cc(Br)ccc1NC(=S)Nc1ccc2c(c1)OCO2 13323954 BMTVLYJYJABRRS-UHFFFAOYSA-N 379.279 4.549 0 40 GJAB Cc1ccc(F)c(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 15515461 GTWXPGUYVYBLPU-UHFFFAOYSA-N 390.458 4.778 0 40 GJAB CCN(CC)C(=O)[C@@H](Sc1nccn1-c1ccc(OC)cc1)c1ccccc1 17838527 GVUGRGANAAAMNH-FQEVSTJZSA-N 395.528 4.583 0 40 GJAB COc1cccc(CC(=O)N[C@@H](c2ccc3c(c2)CCC3)c2cccs2)c1 18235393 KHFHPAHICWQNKD-QHCPKHFHSA-N 377.509 4.694 0 40 GJAB CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@H](c1ccccc1)c1cccs1 18466016 DNPOFTXRAKYPSB-OAQYLSRUSA-N 399.899 4.889 0 40 GJAB CCC(=O)N1CCC[C@H](c2nc(Nc3ccccc3CC)n3ccsc23)C1 19523088 XVJWBSHLLMBFCN-INIZCTEOSA-N 382.533 4.818 0 40 GJAB CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1cccc(Cl)c1 20034754 SBSMSCXJRHJQQU-HNNXBMFYSA-N 377.937 4.719 0 40 GJAB O=C([C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2)N1CCCC1 20737445 MCSKZMUGQGBIOL-JOCHJYFZSA-N 388.511 4.756 0 40 GJAB COc1cc(CN[C@@H](C)c2ccccc2Br)cc(Cl)c1OC 22777721 IMMKIBGHYUGSAN-NSHDSACASA-N 384.701 4.971 0 40 GJAB CC1(C)C[C@H]([C@H](CCNCc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 26532617 PWNDMUMGAWMMEF-FGZHOGPDSA-N 395.543 4.959 0 40 GJAB CN(Cc1cccs1)C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 31347592 DXBZCIHEJHULPF-UHFFFAOYSA-N 393.537 4.960 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32610016 ZPMKJWMDKPCUJB-UHFFFAOYSA-N 394.233 4.638 0 40 GJAB O=S(=O)(Nc1c(Cl)cccc1Cl)c1cccc(Br)c1 40414013 ASVZVDUYZPOFOS-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB Cc1ccc(C)c(-c2nn(CN(CC(C)C)C3CC3)c(=O)c3ccccc23)c1 45722158 CJQZWEPMRBVELE-UHFFFAOYSA-N 375.516 4.758 0 40 GJAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc([S@@](C)=O)cc1)C1CC1 56223653 KTAWEMTWCVHYTG-CEXHIMGSSA-N 395.446 4.809 0 40 GJAB COCCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)c1ccccc1 58298067 CUFHDYCETLCCHF-CQSZACIVSA-N 381.303 4.642 0 40 GJAB CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)Nc2cccc3ccccc23)C1 58343526 VTJAJAIGHWSCPL-HXUWFJFHSA-N 388.515 4.611 0 40 GJAB FC(F)(F)c1nc2cc3c(cc2n1CCOc1ccc(Cl)cc1)OCCO3 64814452 LLVABBHXRVKMBK-UHFFFAOYSA-N 398.768 4.559 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C(=O)OCC(C)C)c1 72427688 KUSXTAZDVMZCBP-UHFFFAOYSA-N 378.428 4.715 0 40 GJAB O=C(C1CC1)N(Cc1cccnc1)c1nc2c(C(F)(F)F)cccc2s1 77099359 NGSVLVUVELOQOP-UHFFFAOYSA-N 377.391 4.653 0 40 GJAB CCCNC(=O)CCCC(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 78989288 ZZBHJYJZMOGOTM-OAHLLOKOSA-N 399.331 4.549 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@H](c1cccc(OC(C)C)c1)SCC(O)=N2 79490293 LKPGOEHVVMEJDE-FQEVSTJZSA-N 394.500 4.787 0 40 GJAB O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ncoc1[C@H]1CCCO1 84525568 AVAYDMWVNSRTKL-GDBMZVCRSA-N 395.484 4.507 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 95482958 ZSQMNTJOBANTQJ-HNNXBMFYSA-N 392.421 4.562 0 40 GJAB O=C(NCCn1nc(-c2cccs2)cc1C1CC1)Nc1ccccc1Cl 96121625 ICADKRLWJQOJOX-UHFFFAOYSA-N 386.908 4.964 0 40 GJAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccccc2Br)c(C)c1 96137075 YIMSJOMEGIVSQP-CMDGGOBGSA-N 380.307 4.787 0 40 GJAB COc1ccc(-c2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)n2)cc1 223142283 LCUIPQFAMVNCBK-UHFFFAOYSA-N 387.361 4.732 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 223170337 JGDYPHLVXCBNIE-QFIPXVFZSA-N 394.559 4.568 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1Cc1ccco1 223331380 HVOHMIZRZJSAMM-CVEARBPZSA-N 375.906 4.562 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 223693393 PBISWVVJPHLWTO-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 224535164 JDCGDYZBONIOKZ-XMMPIXPASA-N 394.559 4.709 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)N[C@H](C)CC 225694714 JBTHBPKAGOEDIM-DYVFJYSZSA-N 387.351 4.815 0 40 GJAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C(=O)OCC 225808183 GVSNHUGCYYOKTI-ZHRRBRCNSA-N 391.508 4.576 0 40 GJAB CCOc1cc(C)ccc1OCc1nnc(SCc2ccc(F)cc2)n1C 409350074 XACYBQNZAHGREZ-UHFFFAOYSA-N 387.480 4.533 0 40 GJAB FC(F)(F)c1cccc([C@H](NC2CCN(Cc3cscn3)CC2)C2CC2)c1 585080620 RACJUSSOSXHZTF-LJQANCHMSA-N 395.494 4.867 0 40 GJAB C[C@H](NC(=O)CCC(=O)N(C)C1c2ccccc2-c2ccccc21)c1ccccc1 1265692234 BMHBTHBVXOKGTQ-SFHVURJKSA-N 398.506 4.872 0 40 GJAB COc1cc(-c2nc(SC)nc3c2CCc2ccccc2-3)cc(OC)c1OC 1648870 IYROEKOXFVOEOL-UHFFFAOYSA-N 394.496 4.657 0 40 GJAB C[n+]1ccc2ccccc2c1Cc1ccc(Cc2c3ccccc3cc[n+]2C)cc1 1705901 LWRCHJOZSOOPLQ-UHFFFAOYSA-N 390.530 4.824 0 40 GJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc(C(C)=O)c1C 1903787 CBAFFZRJZMCXKX-MDZDMXLPSA-N 391.876 4.741 0 40 GJAB Cc1ccc(-c2c(NC(=O)c3ccccc3)n(-c3ccccc3)nc(C)c2=O)cc1 2352428 QFTNSVDRMHVEKL-UHFFFAOYSA-N 395.462 4.769 0 40 GJAB CCCOC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 2427532 NLSJLTWSTSNVSB-UHFFFAOYSA-N 394.862 4.685 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)c1cccnc1Oc1ccc(Cl)cc1 2539541 YCIIVSABGHUEBJ-UHFFFAOYSA-N 391.858 4.981 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccn(COc2ccc(Cl)cc2)n1 2786979 WBJCUJZOBUZLMZ-UHFFFAOYSA-N 380.206 4.618 0 40 GJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(F)c(F)c3F)sc2c1 3426768 XEJHHHLHALSPPS-UHFFFAOYSA-N 398.431 4.843 0 40 GJAB Cc1cc(C)n2c(SCC(=O)Nc3c(C(C)C)cccc3C(C)C)nnc2n1 3435811 RSUHORMPLZGCFT-UHFFFAOYSA-N 397.548 4.719 0 40 GJAB Cc1ccc(C(=O)NCCSc2ncc(-c3ccc(Cl)cc3)[nH]2)cc1C 4315762 MLDSQXSZDHRTBS-UHFFFAOYSA-N 385.920 4.869 0 40 GJAB COc1ccc2nc(SCCOc3cccc(Br)c3)[nH]c2c1 4406259 BNBOZHYUWLOMEW-UHFFFAOYSA-N 379.279 4.505 0 40 GJAB CCOC(=O)c1ccccc1NC(=S)N1CCC(Cc2ccccc2)CC1 4767832 OOFMFZNLBFYVLR-UHFFFAOYSA-N 382.529 4.515 0 40 GJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)N(C)C3CCCCC3)c(Cl)c12 5313616 MFPBZCNTRDOPLA-UHFFFAOYSA-N 382.895 4.787 0 40 GJAB Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(-c3ccncc3)ccc12 5660022 KWJACDFDNBCEHS-UHFFFAOYSA-N 380.860 4.846 0 40 GJAB COC(=O)c1ccc(COC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)cc1 5859819 DBWSXFJXMXEEQZ-HNNXBMFYSA-N 389.451 4.503 0 40 GJAB c1ccc(-c2nc(CSc3nnc4c(n3)[nH]c3ccccc34)cs2)cc1 6454535 FDEYPJKLCZSHMZ-UHFFFAOYSA-N 375.482 4.922 0 40 GJAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 6767594 CECGZRVDDQCPJT-OAHLLOKOSA-N 395.459 4.665 0 40 GJAB CCOc1cc(-c2nc3ccccc3s2)cc(I)c1O 6958946 NMBXWLYJNPYKAF-UHFFFAOYSA-N 397.237 4.672 0 40 GJAB CCc1cccc(C)c1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 8267778 TXHSXLGPYPLCML-UHFFFAOYSA-N 382.548 4.609 0 40 GJAB COc1cccc(C(=O)C[C@@H](c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 8475348 ZWDWELVADSKLSY-QHCPKHFHSA-N 394.492 4.792 0 40 GJAB FC(F)(F)c1nnc2ccc(Oc3ccc(OCc4ccccc4)cc3)nn12 9534339 ULXXRQHAAOIQGY-UHFFFAOYSA-N 386.333 4.514 0 40 GJAB COc1cc(CNC(=O)c2sc3ccccc3c2Cl)cc(OC)c1OC 9887913 MERUNKMUPZPNII-UHFFFAOYSA-N 391.876 4.511 0 40 GJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)Nc1ccc(F)cc1F 12681613 CCIHBWLZMKNAPO-UHFFFAOYSA-N 383.402 4.594 0 40 GJAB O=C(Nc1cc(Cl)ccc1F)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12763307 VWOCSABDSJUTSV-UHFFFAOYSA-N 399.853 4.558 0 40 GJAB COc1ccc(CCC2CCN(CCC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 15514246 UUCSKJPJKPOLTP-FQEVSTJZSA-N 394.559 4.607 0 40 GJAB Cc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCC(C)CC2)o1 15860307 CLVNNNNQCSYCIZ-OAQYLSRUSA-N 384.520 4.578 0 40 GJAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc(Cl)c1Cl 20609845 ALBGEHWNRFJNNA-UHFFFAOYSA-N 383.238 4.980 0 40 GJAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccccc1Cl 21787571 SBYNYNAAMZNCCE-FQEVSTJZSA-N 397.906 4.842 0 40 GJAB COc1cccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)c1 22239260 BCSJLEDAXKAQME-UHFFFAOYSA-N 377.375 4.598 0 40 GJAB Cc1sc2nc(-c3ccccn3)nc(NCCCO)c2c1-c1ccccc1 22796935 KWOWJFNIJQWAFT-UHFFFAOYSA-N 376.485 4.523 0 40 GJAB CN1CCc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)s3)sc2C1 23607587 KGCOOGOMGVPFFY-UHFFFAOYSA-N 389.933 4.765 0 40 GJAB C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 23864456 PSPZKFZIQCFSML-SECBINFHSA-N 386.757 4.527 0 40 GJAB CN(C)[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccsc1 25813163 OEIBVJFZGWMDRT-SFHVURJKSA-N 376.953 4.632 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(Cl)c1 30753384 MMVGMHJZGKGBDE-UHFFFAOYSA-N 396.270 4.804 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)c(Cl)c1 30856659 OARIWAFWKBSWQW-IBGZPJMESA-N 389.879 4.930 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3ccc(F)cc3nc2C)c(OC)c1 32856159 RQVGYDLWNCDSSG-NRFANRHFSA-N 394.446 4.677 0 40 GJAB COc1nc2ccc(Br)cc2cc1[C@@H](O)c1ccc(F)c(Cl)c1 38490571 XMPAREHMHYGKSP-INIZCTEOSA-N 396.643 4.880 0 40 GJAB O=C(O)[C@H](Sc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1 39393051 RYGKGPQRLSQSMX-CQSZACIVSA-N 380.347 4.673 0 40 GJAB O=C(Nc1cc(NC(=O)[C@@H]2COc3ccccc3C2)ccc1F)C1CCCCC1 40110778 WKJONMXTBHXRRM-KRWDZBQOSA-N 396.462 4.534 0 40 GJAB O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccccc1Br 40414019 LDLLKJGIJFFVEJ-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2C)n1 46012643 OBDVSTKTFSTNNG-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccc(C)c3C)n2)cc1 57519800 LVZTVWALTBBTSI-UHFFFAOYSA-N 393.512 4.808 0 40 GJAB Cc1nc2c(cc(OCC(=O)Nc3ccc(N(C)C)cc3)c3ccsc32)s1 58065343 MTWQNOMRMQKCNO-UHFFFAOYSA-N 397.525 4.903 0 40 GJAB CN(CC1CCCC1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 62581755 ZTMZTKLYLDQNJQ-UHFFFAOYSA-N 385.817 4.807 0 40 GJAB COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 63274269 OWQVHNQAXLZHSI-HUUCEWRRSA-N 388.439 4.576 0 40 GJAB Cc1cc(SCC(=O)Nc2c(C)cccc2C)nc(-c2cccc(F)c2)n1 67257357 STMRGEYNOFYYMI-UHFFFAOYSA-N 381.476 4.939 0 40 GJAB Cc1cc(NC(=S)Nc2ccc(I)cc2)ccc1F 71326144 KPTGIFKNIQSUGS-UHFFFAOYSA-N 386.233 4.548 0 40 GJAB CCCN(Cc1nnc(Cc2ccccc2C)o1)[C@@H]1CCc2ccccc2C1 79108045 QPYISZXGSBBPDB-JOCHJYFZSA-N 375.516 4.738 0 40 GJAB Cc1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc(F)cc2F)s1 84205572 VXNJTSUJMUOASE-UHFFFAOYSA-N 385.482 4.792 0 40 GJAB O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)C1CCC(F)(F)CC1 95976061 UAJFCWXFZJJWFZ-UHFFFAOYSA-N 393.821 4.751 0 40 GJAB C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)[C@@H]1C[C@H]2CC[C@H]1C2 102148796 MMGFWAGIZWNIBO-MNXVOIDGSA-N 380.966 4.983 0 40 GJAB COc1ccc(OCCCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 105936593 SZTZLPDNUBSAHR-UHFFFAOYSA-N 389.451 4.724 0 40 GJAB Nc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 119122052 ZDZFXNUEQHPRPC-UHFFFAOYSA-N 387.270 4.502 0 40 GJAB O=C(/C=C/c1ccccc1Cl)NCc1ccc([C@H](O)c2ccsc2)s1 207965968 HPRDAJAMFFIQRJ-MTCRFPMVSA-N 389.929 4.874 0 40 GJAB O=C(COc1cccc2c1CCCC2)Nc1ccc(Br)c(Cl)c1 223569951 PRCQDLULTOJMTM-UHFFFAOYSA-N 394.696 4.999 0 40 GJAB COc1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)cn1 223988156 ACEQABSQUCCLEN-UHFFFAOYSA-N 375.925 4.542 0 40 GJAB COc1cccc(OCc2cc(C(=O)Nc3ccccc3F)ccc2OC)c1 224252294 ZCTXTEMAKGJMSD-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)s2)cc1 224560777 AXXVJRFNYHVNPI-MRXNPFEDSA-N 381.501 4.845 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NCCCc2ccccc2Cl)c1C 225541290 KTPYVSZJELEBQM-UHFFFAOYSA-N 390.936 4.744 0 40 GJAB CC[C@H](NC(=S)Nc1cc(C(=O)OC)ccc1Cl)c1ccccc1C 225758107 RLXKHCBQUKXHDM-INIZCTEOSA-N 376.909 4.873 0 40 GJAB Cc1ccc(COc2ccc(-c3nn4c(C(F)(F)F)nnc4s3)cc2)cc1 226298638 JYZGIDHYVBWYIQ-UHFFFAOYSA-N 390.390 4.759 0 40 GJAB COc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2ccc(F)cc2)cc1 408627912 RKVLGIOEPYSMCQ-UHFFFAOYSA-N 385.460 4.538 0 40 GJAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(-c4ccccc4)cc3)o2)cc1 408713922 CRLBTPZTMFEHJR-UHFFFAOYSA-N 383.451 4.984 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(C)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409351016 VILRGOBYSMPHBN-QINHECLXSA-N 396.453 4.910 0 40 GJAB COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)NCc2cccnc2)c1 541450442 PDZFQKNOLOVVLM-PKTZIBPZSA-N 387.483 4.531 0 40 GJAB CC(C)N1Cc2ccccc2CC2(CCN(C(=O)OC3CCCCC3)CC2)C1=O 585105893 WSSCADMBZFHVKZ-UHFFFAOYSA-N 398.547 4.531 0 40 GJAB Cc1cccc(-c2cccc(CNC(=O)Nc3ccc4c(c3)CCN(C)C4=O)c2)c1 1563039663 UDXJZOZBAYRIBS-UHFFFAOYSA-N 399.494 4.612 0 40 GJAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc2cccnc12 1616026743 RULYYWIPWUJIRT-UHFFFAOYSA-N 384.501 4.866 0 40 GJAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@@H]1CCCN1c1ccccc1 1624425408 ZOYMZQOVGINSMH-QHCPKHFHSA-N 378.560 4.929 0 40 GJAB CCCC(=O)Nc1ccc2nc(CCC)n(Cc3ccc(Cl)cc3)c(=O)c2c1 1363172 GQGYKVJCXQPIJA-UHFFFAOYSA-N 397.906 4.789 0 40 GJAB COc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3NC=O)n2)cc1 1405081 SKDBJQDPYYBSDQ-UHFFFAOYSA-N 390.468 4.548 0 40 GJAB CCN(CC)c1nc(Nc2ccc(OC)cc2)nc(Nc2cc(C)ccc2C)n1 1446334 RFFYVMHJWRUSDY-UHFFFAOYSA-N 392.507 4.830 0 40 GJAB O[C@@H]([C@H](c1ccccc1)N1CCCCC1)C(O)(c1ccccc1)c1ccccc1 1690374 WCNZEPPRMMCDML-DQEYMECFSA-N 387.523 4.511 0 40 GJAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 2415380 IXPPRVBRZPXPAT-VIFPVBQESA-N 387.864 4.740 0 40 GJAB CCCCc1ccc(NC(=O)COC(=O)c2cc3ccccc3cc2O)cc1 2630036 CKBIKAXBHMWVSS-UHFFFAOYSA-N 377.440 4.684 0 40 GJAB Cc1ccc(C)c(C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1 3341557 HHYOCTBIRNCPTL-UHFFFAOYSA-N 375.424 4.891 0 40 GJAB Cc1cc(C)cc(C(=O)NCCSc2ncc(-c3ccc(Cl)cc3)[nH]2)c1 4315765 RVYYELVGWIFGGK-UHFFFAOYSA-N 385.920 4.869 0 40 GJAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nnn1-c1ccccc1F 4316323 NPZIWBWBRPXPDI-UHFFFAOYSA-N 388.402 4.759 0 40 GJAB O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc2ccccc2c1 4703968 LXQFMCFIXYWSID-UHFFFAOYSA-N 375.497 4.567 0 40 GJAB CSc1nnc([C@H]2CCCN2C(=O)N(c2ccccc2)c2ccccc2)n1C 5001570 NLMLJLCJPWSRKO-GOSISDBHSA-N 393.516 4.632 0 40 GJAB Cc1ccc(-c2noc(CNC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 5352616 DPRGTHPOTOGLPN-UHFFFAOYSA-N 397.478 4.883 0 40 GJAB O=C1C[C@H](c2ccccc2)Oc2c(Br)cc(Br)cc21 5604372 HSPXCJYAPLHWJF-CQSZACIVSA-N 382.051 4.918 0 40 GJAB C[C@@H]1CCc2c(sc3ncnc(N4CCN(c5cccc(Cl)c5)CC4)c23)C1 5694699 CRMHLUALLBRCFH-CQSZACIVSA-N 398.963 4.796 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cc2ccncc2)cc1 5799389 MNISAXICGHGARU-UHFFFAOYSA-N 387.266 4.997 0 40 GJAB CCN(CC)C(=S)S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5988000 INOYCZBWZWWKSJ-KRWDZBQOSA-N 376.522 4.865 0 40 GJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc(Cl)cc1Cl 6178830 RYVSWVHVIRRAEY-UHFFFAOYSA-N 379.272 4.509 0 40 GJAB Cc1ccc(C(C)C)c(OCCOc2cccc(/C=C3/SC(=N)NC3=O)c2)c1 6797405 OQTXIWQYOILWFL-DEDYPNTBSA-N 396.512 4.715 0 40 GJAB CC(=O)c1sc(NC(=O)c2cnc(Cl)c(Cl)c2)nc1-c1ccccc1 7799998 RDSWOOYKEGZZLC-UHFFFAOYSA-N 392.267 4.967 0 40 GJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc3ccccc3c2)CC1=O 7929332 FLZZERJQVZPXMZ-NRFANRHFSA-N 387.479 4.923 0 40 GJAB CCN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)C1=CCCCC1 8230484 WPHAFSYUEDSWHM-UHFFFAOYSA-N 382.533 4.543 0 40 GJAB O=C1N=C(Nc2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1cccnc1 8419290 OPPJVOZHHJEVKL-AWNIVKPZSA-N 383.782 4.836 0 40 GJAB O=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1N1CCOCC1 9668723 WEVVCVLMAXIQNP-UHFFFAOYSA-N 397.327 4.561 0 40 GJAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@@H](c2ccccc2)C4)cc1 9698371 IFGJHIVFCSCHCN-SFHVURJKSA-N 383.451 4.626 0 40 GJAB Cc1cc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2C)ccc1N1CCCC1=O 10750086 ITSAYABFIFDHHG-HNNXBMFYSA-N 385.895 4.523 0 40 GJAB CN(Cc1ccc(Cl)c(Cl)c1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 12745035 BWABFOLKWDQJCI-SFHVURJKSA-N 381.278 4.584 0 40 GJAB COc1cc(C(=O)N[C@H](c2ccccc2)c2cccs2)ccc1OC(F)F 12775127 KIUNQVYDXXSLBA-GOSISDBHSA-N 389.423 4.878 0 40 GJAB O=C(O)c1sc2cccc(F)c2c1CSc1ncn(-c2ccccc2)n1 12852223 AWUIFPUQVGHSCU-UHFFFAOYSA-N 385.445 4.612 0 40 GJAB O=C(CC1(C(=O)O)CCCCCC1)Nc1ccc(Br)cc1Cl 13467286 VURMJTDLQJQKJC-UHFFFAOYSA-N 388.689 4.856 0 40 GJAB O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1cnn(Cc2ccccc2)c1 14807409 XOUHKYZMTRRHBD-UHFFFAOYSA-N 393.830 4.597 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(OC(F)F)cc3)s2)cs1 16775385 IGUJUMUPPFMTCA-UHFFFAOYSA-N 380.441 4.711 0 40 GJAB CCc1ccc(-n2nnc(C(=O)OCc3cccc(C(F)(F)F)c3)c2C)cc1 16841506 GTDDLLMZFNKWCQ-UHFFFAOYSA-N 389.377 4.514 0 40 GJAB Cn1cc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)cn1 25308362 UXYNXYSRPMAURT-UHFFFAOYSA-N 381.432 4.605 0 40 GJAB Cc1ccccc1[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)N1CCCC1 36097326 DJABOVPEOOMXSC-IBGZPJMESA-N 376.422 4.581 0 40 GJAB CCCCOc1ccc(NC(=O)Nc2ccc3c(c2)CN(C(=O)CC)CC3)cc1 38489861 OKGLGVDUWDWIKG-UHFFFAOYSA-N 395.503 4.804 0 40 GJAB COc1ccc(-c2cnn3c(C)c(C(=O)Nc4ccccc4Cl)cnc23)cc1 38829636 HLWFPTCTPTXBRI-UHFFFAOYSA-N 392.846 4.619 0 40 GJAB C[C@@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccncc1 40143175 GQNPXYOWDDQGIF-CYBMUJFWSA-N 398.260 4.522 0 40 GJAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(Cl)c2)c1 40267089 IMMITLPNKNLRNL-OAHLLOKOSA-N 383.835 4.667 0 40 GJAB O=c1cc(-c2ccc(F)cc2)nc2n(Cc3cccc(F)c3)c3ccccc3n12 40484796 KMHUUOTXOOSSOC-UHFFFAOYSA-N 387.389 4.643 0 40 GJAB Cc1cccc(-n2cc(C(=O)OCCOc3ccccc3)c3ccccc3c2=O)c1 44167198 JQPXHJGTSZMZJK-UHFFFAOYSA-N 399.446 4.535 0 40 GJAB C[C@H](SCc1csc(Br)c1)C(=O)NCc1cccs1 56261722 CMNQPAZOZHWKOR-VIFPVBQESA-N 376.366 4.510 0 40 GJAB Cc1nn(CNC2(c3ccc(F)cc3)CCC2)c(=S)n1Cc1ccccc1 58208987 PMTDZYFQEGAEPP-UHFFFAOYSA-N 382.508 4.536 0 40 GJAB CCCN(C)C[C@H]1CCN(C(=O)Nc2ccccc2Oc2cccc(F)c2)C1 72309874 VUTCHZGSTGOVFS-QGZVFWFLSA-N 385.483 4.814 0 40 GJAB CCOc1ccc(-c2nc(-c3ccccc3Br)n[nH]2)cc1OCC 85385126 LBFRAAWHWBMWIT-UHFFFAOYSA-N 388.265 4.699 0 40 GJAB CC(=O)c1c(-c2ccccc2Cl)c2cc(Br)ccc2[nH]c1=O 95116816 MMQORFNQCFQAHN-UHFFFAOYSA-N 376.637 4.814 0 40 GJAB CC(C)C(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccncc2)CC1 100738875 SLCNERHQMKUOIW-IZAXUBKRSA-N 380.536 4.708 0 40 GJAB OC1=C2C(=Nc3nc(SCc4ccccc4)nn3[C@H]2c2ccccn2)CCC1 102566928 ICEOESNMHYFSQK-IBGZPJMESA-N 389.484 4.637 0 40 GJAB CCOc1cc(C(=O)OC)cc(Br)c1OCc1ccccc1C 216831614 NGOQJRLBGJWZAH-UHFFFAOYSA-N 379.250 4.522 0 40 GJAB CC[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 223076813 GGDNZXSKCQZCDH-FQEVSTJZSA-N 377.937 4.790 0 40 GJAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1Br 223204968 VOJHSCFUDUORAX-AWEZNQCLSA-N 388.305 4.502 0 40 GJAB COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223321476 YWYPPVCRNYZTGQ-IAGOWNOFSA-N 385.504 4.780 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1C(C)(C)C 223714093 MJXSQKZQIWQYIX-OAQYLSRUSA-N 383.532 4.954 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccccc1C(C)(C)C 223732813 QEORFCKSOZQQJI-HXUWFJFHSA-N 383.532 4.954 0 40 GJAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Cl 224156797 WYWJQZSPCFZECF-INIZCTEOSA-N 383.875 4.764 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccccc1CN1CCCC1 224804661 AWUFSNRYYOAGJR-UHFFFAOYSA-N 391.342 4.838 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Br)cc2F)cc1 225641895 MJQWFLZIBWIJMJ-LBPRGKRZSA-N 397.313 4.651 0 40 GJAB CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(OCC)c(OCC)c2)c1 225750981 SXOPPMCIRYDCRY-HNNXBMFYSA-N 388.533 4.930 0 40 GJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225845738 NBONLYYXWIIFTF-OPAMFIHVSA-N 393.524 4.965 0 40 GJAB O=C(c1ccc(-c2cccs2)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 245053581 PBILFSKQSQNHQJ-QFIPXVFZSA-N 388.536 4.688 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncc2)CC1 252496451 PIRSHAQLHJNLQN-UHFFFAOYSA-N 386.495 4.674 0 40 GJAB COc1cc(COc2ccc(Cl)cc2CO)ccc1OCc1ccccc1 408539797 JTZVGIVSXLXSIC-UHFFFAOYSA-N 384.859 4.999 0 40 GJAB CCc1ccc(N(C(=O)[C@@H](OC)[C@H]2CCOC2)c2nc3ccccc3s2)cc1 622765450 QZFFCEWBMURFBH-JXFKEZNVSA-N 396.512 4.575 0 40 GJAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccc(OC(F)F)cc3)[nH]c2c1 679017599 GGQRPMDHOZDYGG-JTQLQIEISA-N 378.400 4.536 0 40 GJAB O=C([C@H]1CCCN(C(c2ccccc2)c2ccccc2)C1)N1CCC(F)(F)CC1 2298251271 DFCQOWIEEOQDRS-NRFANRHFSA-N 398.497 4.746 0 40 GJAB CCOc1ccc(NC(=O)c2ccc(Br)cc2Br)cc1 642760 ANXLAEAJFGJCKT-UHFFFAOYSA-N 399.082 4.863 0 40 GJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccccc1OCC 949026 GWAOUUSAMAJZTI-UHFFFAOYSA-N 380.444 4.953 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)c(C)c1 1224460 HUGYMRCSEVANHW-HLFMIMNKSA-N 396.560 4.783 0 40 GJAB CCOc1ccc(Cc2c(Cl)nc(SC)nc2N2CCCCC2)cc1 1249377 XGLFVGFJLFYQHN-UHFFFAOYSA-N 377.941 4.832 0 40 GJAB Cc1cc2nc(-c3cccnc3SCC(=O)N3CCC(C)CC3)[nH]c2cc1C 1329288 JLLWQDSMFBVCGF-UHFFFAOYSA-N 394.544 4.592 0 40 GJAB COc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1 1413961 YIMNCNAJKKQYBG-UHFFFAOYSA-N 388.423 4.829 0 40 GJAB CCOC(=O)Oc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)OCC)c2c1 1448024 ATZAKGNJRREZOT-UHFFFAOYSA-N 384.384 4.820 0 40 GJAB biogenic CC1(C)Cc2c(sc3nc(SCc4ccc(F)cc4)nc(N)c23)CO1 2239456 LHQXVYJEIXHODB-UHFFFAOYSA-N 375.494 4.556 0 40 GJAB CC1(C)C[C@@H](n2cnc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1 2245643 DNDYSWIKGUQZSY-SFHVURJKSA-N 378.516 4.798 0 40 GJAB COc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 2253227 MFZKIYOLVIBVAW-UHFFFAOYSA-N 382.467 4.835 0 40 GJAB aggregator CCCCCCNC(=O)c1c(N)n(CCCCC)c2nc3ccccc3nc12 2309113 PIAJSWFIHPFVGG-UHFFFAOYSA-N 381.524 4.667 0 40 GJAB CC(=O)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[C@]12C 2562685 BQIBBYLXJDSLIR-RHCGTSLQSA-N 376.537 4.893 0 40 GJAB O=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1ccccc1Cl 2653261 XGBRPFLZCCRZSH-UHFFFAOYSA-N 395.842 4.568 0 40 GJAB O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc2c(c1)CCC2 3336266 JUJBAJZDCUUEAI-UHFFFAOYSA-N 388.562 4.502 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CSC3)cc1 4176110 IBWXOPNPIGQSII-UHFFFAOYSA-N 387.867 4.972 0 40 GJAB O=C(Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12)c1ccco1 4353815 ULSQNYACQZFYKW-UHFFFAOYSA-N 382.322 4.809 0 40 GJAB NS(=O)(=O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 4748121 VBSCUQGLDCOGDE-UHFFFAOYSA-N 399.515 4.717 0 40 GJAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3C2)cc1 4777143 IKWWYWAQMYAQTI-ZWOKBUDYSA-N 377.532 4.995 0 40 GJAB Cc1cccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2Cl)c1 5555739 HPXMTIITDWNVMA-UHFFFAOYSA-N 383.300 4.612 0 40 GJAB O=C(CCCOc1ccc(Cl)cc1)NCCOc1cccc2ccccc12 5876508 NLWAFWVWZAXZIV-UHFFFAOYSA-N 383.875 4.847 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCCCC2 6047441 IGQYBUSGIJSCBB-UHFFFAOYSA-N 387.501 4.845 0 40 GJAB Cc1ccc(CN2C(=O)S/C(=C\c3cn(CC#N)c4ccccc34)C2=O)cc1 6627249 UFFNAJZLSWCIHO-NDENLUEZSA-N 387.464 4.710 0 40 GJAB CCN(CC)S(=O)(=O)c1ccc(S[C@H](C)c2ccccc2Cl)nc1 7053396 UTZJGYORMBGQBK-CYBMUJFWSA-N 384.954 4.619 0 40 GJAB COc1ccc(OC)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 7094306 BPTVZJUEMWZGOU-UHFFFAOYSA-N 386.300 4.883 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2cccnc2Sc2ccc(C)cc2)cc1 7598362 CMHMOMCCBLQDMK-UHFFFAOYSA-N 377.469 4.752 0 40 GJAB CSc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(C)cc3)nc12 7599568 WIHKKQOQSSGZJD-UHFFFAOYSA-N 385.558 4.535 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1ccccc1OCc1csc(C)n1 7919139 AOQFJYVWOSVHIU-UHFFFAOYSA-N 388.876 4.945 0 40 GJAB O=C(NC1CCC(O)CC1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 8327481 MFKRGCWABRYECU-UHFFFAOYSA-N 386.904 4.650 0 40 GJAB O=c1c2ccccc2n(Cc2cccc3ccccc23)c(=O)n1C1CCCCC1 9926721 ZFXYRIPCAIKZHE-UHFFFAOYSA-N 384.479 4.870 0 40 GJAB COc1cc(C(=O)N2CCC(CCc3ccccc3)CC2)cc(Cl)c1OC 11452265 RFWQYAQHNSCZNZ-UHFFFAOYSA-N 387.907 4.842 0 40 GJAB COc1ccc(CC(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1 11897556 QEVHAURWXBVGPX-GOSISDBHSA-N 399.494 4.796 0 40 GJAB CC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 12219603 JCYQXVUEXQHYIG-UHFFFAOYSA-N 395.459 4.501 0 40 GJAB CCN(C(=O)CSc1nc(O)c2ccccc2n1)c1ccc(C(C)C)cc1 12411827 CKBCMZHRMWOXLD-UHFFFAOYSA-N 381.501 4.604 0 40 GJAB biogenic,in-vitro Cn1c(C[C@H](NC(=O)c2ccc(F)cc2F)c2ccccc2)nc2ccccc21 12627370 LCYRZJKXGFXIQM-FQEVSTJZSA-N 391.421 4.565 0 40 GJAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc(C)ccc2OC)cc1 12736707 AVLBFNVMRXMMPB-OAQYLSRUSA-N 382.504 4.568 0 40 GJAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccnn2C2CCCC2)cc1 14019776 TXSQYTSYKIGYDG-OAQYLSRUSA-N 396.535 4.563 0 40 GJAB COc1ccc(-c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2N)cc1 19074820 ARGXIXKBCARCHC-UHFFFAOYSA-N 376.437 4.950 0 40 GJAB CC(C)C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19085600 NCFYGGCUBRXCCU-HXUWFJFHSA-N 387.487 4.602 0 40 GJAB CC(C)[C@H](NC(=O)c1cc(-c2ccncc2)c2cnccc2n1)c1cccs1 19445929 IEGONUJUGVMODX-NRFANRHFSA-N 388.496 4.880 0 40 GJAB CSc1ccc(CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 19574049 DCYPXKQCEZHQGI-UHFFFAOYSA-N 388.920 4.807 0 40 GJAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 20488340 QHUFIXKBOFMTHK-LSDHHAIUSA-N 391.895 4.619 0 40 GJAB O=C(Nc1ccc(Cl)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1 23141013 OSYJJLNOULQVJG-UHFFFAOYSA-N 388.880 4.863 0 40 GJAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 32603639 CEYYQVAWCRVAEA-UHFFFAOYSA-N 378.708 4.858 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc2C1 34858988 KILPSXUISLGTKP-DEOSSOPVSA-N 386.495 4.742 0 40 GJAB O=C(CN1CCC[C@@H]1c1ccc(Cl)cc1)Nc1ccccc1OC(F)F 36392675 WDSMYLSAICKNFT-MRXNPFEDSA-N 380.822 4.717 0 40 GJAB O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(N2CCCCCC2)cc1 57657792 UKNYYARRUPUQRF-UHFFFAOYSA-N 375.472 4.903 0 40 GJAB Clc1ccccc1-c1noc(OCc2nn(-c3ccccc3)c3c2CCC3)n1 60350467 NTBZNGQWZJVMQS-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSCC(=O)Nc1cccc(Cl)c1C 68933101 TWXJIECKMVWODP-UHFFFAOYSA-N 397.327 4.921 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)c1cn[nH]c1-c1cccc(Br)c1 72329082 IRZXHKOQVWTIAD-CQSZACIVSA-N 398.304 4.590 0 40 GJAB Cc1csc(CNC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)n1 84081899 VHKSFCKWHCRVED-UHFFFAOYSA-N 398.513 4.571 0 40 GJAB Cc1cccc(Nc2nnc(SCc3nc(N)c4c(C)c(C)oc4n3)s2)c1 84211152 LRZUTTKUCZTIRW-UHFFFAOYSA-N 398.517 4.618 0 40 GJAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(NC2CC2)nc1 89794207 GFOVNFOSAWZFFM-UHFFFAOYSA-N 389.299 4.946 0 40 GJAB CC(C)(C)c1ccc(NC(=O)N2CCN(C3CC3)C[C@H]2Cc2ccccc2)cc1 90690175 NVWQLXPQZKZUIN-HSZRJFAPSA-N 391.559 4.907 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(C)c(C)c1 224457306 QNXOEOIHHZNKOK-QFIPXVFZSA-N 377.484 4.809 0 40 GJAB CN(C(=O)c1cc(Br)ccc1Cl)c1ccc(N2CCCC2)cc1 225074312 VXULTXKRRJUVBI-UHFFFAOYSA-N 393.712 4.979 0 40 GJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC(C)(C)CC(C)(C)C 225110069 ORSWIMLHVCPLEI-RGEXLXHISA-N 382.504 4.690 0 40 GJAB Cc1ccccc1-c1noc(CCC(=O)Nc2cccc(Cl)c2Cl)n1 225815685 XBQSGLLVFPDBIR-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3Cc3ccco3)N21 260786490 XPLXNRRUGMZVHA-YSGRDPCXSA-N 378.501 4.504 0 40 GJAB COc1ccc(NC(=O)c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 408551110 BFVUYBPZGZYFTH-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C 408557550 NPRKITPYGBTLKH-UHFFFAOYSA-N 383.469 4.987 0 40 GJAB Cc1cccc(CSCCNC(=O)CCCOc2ccc(Cl)cc2)c1 408703170 OCNQGDSKAJGLHV-UHFFFAOYSA-N 377.937 4.857 0 40 GJAB c1ccc(-n2cc(CNCc3ccc4occc4c3)c(-c3ccncc3)n2)cc1 512100497 UGEDMJGTLHRDQT-UHFFFAOYSA-N 380.451 4.970 0 40 GJAB Cc1ccc(NC(=O)[C@@H](c2ccccn2)C(C)C)cc1OCC1CCOCC1 585084932 PKDWMRMKNYVXDJ-JOCHJYFZSA-N 382.504 4.574 0 40 GJAB Cc1cc(C)cc(-c2cc(NC(=O)c3cccc([C@H]4CCCN(C)C4)c3)n[nH]2)c1 1160692736 HPQMJMUFZGTDKY-FQEVSTJZSA-N 388.515 4.755 0 40 GJAB COc1ccc(Br)c(CN2CCn3cccc3[C@@H]2c2ccccc2)c1 1615938914 FZTKUJIAQNIDFN-NRFANRHFSA-N 397.316 4.864 0 40 GJAB COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OCc1ccccc1 822857 LMGLFYXQGKGPCU-ATVHPVEESA-N 391.448 4.680 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@]23CC[C@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 936599 LJNDZDTVFGEIRP-RPBOFIJWSA-N 399.494 4.800 0 40 GJAB CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1c[nH]c2ccccc12 2580973 KYMMYXGQKBCPRR-JOCHJYFZSA-N 377.488 4.573 0 40 GJAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2C)cc1 2723212 IWHWUJLHBLOCGV-UHFFFAOYSA-N 381.501 4.619 0 40 GJAB COc1ccc(-c2nsc(SCC(=O)Nc3ccc(C)cc3C)n2)cc1 3007365 GINBLQXGQVBRAL-UHFFFAOYSA-N 385.514 4.561 0 40 GJAB CCCN(CC1CC1)C(=O)COc1ncnc2scc(-c3ccc(C)cc3)c12 3293195 MAENUZRCJRXFTO-UHFFFAOYSA-N 395.528 4.694 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c2ccccc2n1 4240024 OVUWHNXCQUVJST-VIFPVBQESA-N 393.299 4.759 0 40 GJAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 4550078 TUUZLNUFTDZOJH-GFCCVEGCSA-N 398.484 4.541 0 40 GJAB O=C(CSCc1ccccc1Br)NCc1ccccc1Cl 4689854 RKVZBDLVALATLB-UHFFFAOYSA-N 384.726 4.652 0 40 GJAB COc1ccc(-c2n[nH]c3c2[C@H](c2cccc(F)c2)N(c2ccccc2)C3=O)cc1 4870948 XFWURRJRODEWOG-QHCPKHFHSA-N 399.425 4.974 0 40 GJAB C[C@H](NC(=O)CSc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 5019059 VCWJAZLQLMVXRH-NSHDSACASA-N 398.311 4.734 0 40 GJAB O=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccncc2)nc2ccccc12 6508739 FAJJOOSPYDZYFS-UHFFFAOYSA-N 386.480 4.884 0 40 GJAB aggregator CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C)cc2C)c1 6594906 OLSAQIAXTVPMQA-UHFFFAOYSA-N 383.517 4.559 0 40 GJAB O=C(COc1ccc(Cl)c2cccnc12)c1ccc(Br)cc1 6633518 XSWUOFGNAQWKFZ-UHFFFAOYSA-N 376.637 4.912 0 40 GJAB Cc1ccc2nc(SCC(=O)Nc3ccc(Br)cc3F)[nH]c2c1 6908892 NHQYUNYGQRWEEL-UHFFFAOYSA-N 394.269 4.504 0 40 GJAB CCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N/c1ccc(OC)cc1 6954389 XIWDPLAXVCMCIB-HNPUNDFXSA-N 382.485 4.636 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 7649295 ARCRTKDOSGRJJH-UHFFFAOYSA-N 380.488 4.744 0 40 GJAB CCOc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)cc1 7844287 ZLERIXCCCJJSTL-UHFFFAOYSA-N 399.541 4.639 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)cc1 8586626 ULHBDMPANOBSKP-UHFFFAOYSA-N 382.416 4.743 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(O)c(Br)c2)N1C1CCCC1 8703987 CPZUGMAKWWJTCO-GOSISDBHSA-N 387.277 4.664 0 40 GJAB Cc1ccc(CN2CCC(C(=O)NCCSCc3cccc(C)c3)CC2)cc1 9063129 IZLMULFSMUAGDL-UHFFFAOYSA-N 396.600 4.565 0 40 GJAB O=C(NC1CCCCC1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 9227079 UBPSETCOMQWVKI-UHFFFAOYSA-N 382.508 4.914 0 40 GJAB CN1C(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2Oc2ccccc21 9827810 MJQKMWAALYJIDN-UHFFFAOYSA-N 378.815 4.975 0 40 GJAB Cc1[nH]c(=S)sc1CC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 11274076 LIGDHZMCJHUVRU-UHFFFAOYSA-N 380.498 4.634 0 40 GJAB CCOc1cc(C(=O)O)cc(Br)c1OCc1cccc(Cl)c1 11804254 WJQYIRHGVKSTKV-UHFFFAOYSA-N 385.641 4.778 0 40 GJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(F)cc1Cl)O[C@H](C)C2 12562183 XVRIWGPARVOJGW-NEPJUHHUSA-N 392.858 4.640 0 40 GJAB COc1ccccc1NC(=O)N(Cc1nc(-c2ccccc2)no1)C(C)(C)C 12654080 SVGHTCBDJILGGZ-UHFFFAOYSA-N 380.448 4.578 0 40 GJAB O=C(Nc1ccc2ccccc2c1)/C(=C/c1ccco1)NC(=O)c1ccccc1 12655145 NNUHJQVNGUAZLF-JWGURIENSA-N 382.419 4.842 0 40 GJAB COc1cccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1 12921624 CRPUDMUHXSYSOE-UHFFFAOYSA-N 388.876 4.565 0 40 GJAB O=C(NCCN1CCCCCC1)c1ccc(OCc2ccccc2Cl)cc1 13687887 HFMHLGQEWPSKHT-UHFFFAOYSA-N 386.923 4.525 0 40 GJAB CCCCc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1 16263036 MPWINSVHZKFDHU-FQEVSTJZSA-N 381.907 4.936 0 40 GJAB Cc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2C)cc1 16779923 YOOJDKOZLPNRFX-UHFFFAOYSA-N 399.082 4.786 0 40 GJAB C[C@@H](CCc1ccc(Cl)cc1)NC(=O)C1(c2ccccc2F)CCOCC1 19717443 YXWRKFXGYOSWQC-INIZCTEOSA-N 389.898 4.665 0 40 GJAB CC(=O)Nc1s/c(=N\c2ccccc2)n(C[C@@H]2CCCO2)c1-c1ccccc1 19898753 AVYCUZZTHWDZPC-COPMAWBXSA-N 393.512 4.586 0 40 GJAB CSc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 20039842 MXXUAESSJQLWPY-NRFANRHFSA-N 383.538 4.785 0 40 GJAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)c(C)c2c1 21659777 MLNNWEUENWOETH-IBGZPJMESA-N 380.488 4.772 0 40 GJAB CCc1cccc2c(CN(Cc3cccnc3)C[C@H]3CCCN3CC)c[nH]c12 22931807 QWCSIGIPBVAWRY-JOCHJYFZSA-N 376.548 4.612 0 40 GJAB CC(C)c1ccc([C@@H](NC(=O)c2ccc3[nH]nnc3c2)c2cccs2)cc1 32459854 OOWNSWRBMXJVGA-HXUWFJFHSA-N 376.485 4.662 0 40 GJAB Cc1ccc([C@H](C)NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c(C)c1 36617464 WFGFKXSVQSEENB-AWEZNQCLSA-N 375.428 4.899 0 40 GJAB Cc1cccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 39758459 GISSIGQCVSXQBF-UHFFFAOYSA-N 384.951 4.609 0 40 GJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cc1 58179166 TVHCUIMKZHEQCN-UHFFFAOYSA-N 389.455 4.523 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2NC2CCCCC2)cc1 72214027 NCZNHFICAFCKSI-OAQYLSRUSA-N 399.560 4.660 0 40 GJAB Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 72376802 VBQHDXKEXAAAAO-IBGZPJMESA-N 392.890 4.747 0 40 GJAB O=C(Nc1ccccc1F)NC1(c2nc(-c3ccccc3)no2)CCCCC1 77197413 KZHDHZSKMBMCFT-UHFFFAOYSA-N 380.423 4.857 0 40 GJAB CN1CCC[C@H](COC(=O)CCc2ccco2)[C@@H]1c1ccc(C(F)(F)F)cc1 78822800 XWSHGVUTEFJWQX-UZLBHIALSA-N 395.421 4.857 0 40 GJAB CSc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3cccc4nccnc34)C2)cc1 97105908 QMMGOFZZBJNHDU-HXUWFJFHSA-N 390.512 4.685 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 100471122 WQQWVBYKBCAENQ-IXYNUQLISA-N 375.534 4.813 0 40 GJAB COc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC(C)C 100727363 PVIUSBYZGPPVIH-SFTDATJTSA-N 399.506 4.636 0 40 GJAB Cc1cc(NC(=O)CSc2nc(C)c(C)n2[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)no1 103512470 LSWRHAPEBIEXFD-LTIDMASMSA-N 388.537 4.524 0 40 GJAB Cc1occc1-c1nnc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)o1 104271234 QIHKFWSIHMQQLG-IVMMDQJWSA-N 378.494 4.734 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccccc1C 222689536 VSIHRQQKNUNGGV-AVRDEDQJSA-N 381.516 4.615 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)CSCc1ccc(F)cc1 223711226 OSGOUEPTTDUNEW-UHFFFAOYSA-N 375.509 4.552 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 225492403 VZPDPWTUJJQNBW-NFBKMPQASA-N 394.559 4.568 0 40 GJAB COCCC(=O)N[C@]1(C)C[C@H](c2ccc(F)c(Cl)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257205584 AZTFXKJCIIFYEC-NEBOSXTKSA-N 397.918 4.657 0 40 GJAB COc1cccc(CN2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 306144814 ZPFZEOMTVOSFMQ-JOCHJYFZSA-N 384.483 4.742 0 40 GJAB Cc1ccc(CN2C(=O)CC[C@@]23CCCN(CCc2ccccc2)CC3)cc1 585100187 HJLSLUWUCVUYRC-RUZDIDTESA-N 376.544 4.585 0 40 GJAB O=C1Nc2nc(cs2)[C@@H]2CCCN2Cc2cccc(c2)OCc2cccc1c2 585281641 NSMOIMIZVNNWJO-FQEVSTJZSA-N 391.496 4.625 0 40 GJAB CC(C)(C)c1ccc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1 641700 XKENYPSNHOWLLO-KRWDZBQOSA-N 392.484 4.663 0 40 GJAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 869885 KUBDFGGTTYEVCN-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2I)cc1 1097929 QWWITHAIGTXMPN-UHFFFAOYSA-N 379.241 4.841 0 40 GJAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(Br)cn1 1105735 VHXHPLSNVHVLJR-UHFFFAOYSA-N 381.229 4.925 0 40 GJAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)NC1CCCC1 1332751 QRMUWJMMHNWWSM-UHFFFAOYSA-N 387.574 4.598 0 40 GJAB O=C1[C@@H]2CSCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(Cl)c1 1384519 FTEZFODPRHSBKD-INIZCTEOSA-N 398.837 4.785 0 40 GJAB COc1cc(OC)cc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1 1456297 GZZCWABCIHAFPU-UHFFFAOYSA-N 375.468 4.656 0 40 GJAB O=C(c1cccc(CN2CCCCC2)c1)c1ccc(Br)cc1F 2515025 FWNRQUCAAFIQQZ-UHFFFAOYSA-N 376.269 4.805 0 40 GJAB CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2Cl)oc1N(C)C 3124296 INYIZTLRNSDXME-UHFFFAOYSA-N 393.207 4.606 0 40 GJAB O=C(COc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Oc1ccccc1 3340590 XTIPCHFPAMPPBC-UHFFFAOYSA-N 397.814 4.879 0 40 GJAB Cc1cccc(C)c1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 3359587 PQMJEHXRAYAEHU-UHFFFAOYSA-N 377.415 4.691 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N(C)Cc3ccccc3)s2)c1C 3463382 GHZMHWWYAGDUMQ-UHFFFAOYSA-N 398.557 4.649 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccccc1 4816839 UISBEHVYNZPYSL-OALUTQOASA-N 380.879 4.655 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccoc1C 4860819 AWFVIIPQXDXTPV-UHFFFAOYSA-N 390.896 4.559 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nncn1-c1ccccc1F 4891060 BPNWHNJBLNLXPI-CQSZACIVSA-N 384.480 4.651 0 40 GJAB CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1ccco1)c1ccc(F)cc1 4933884 UGRWYTVJRCAEFQ-FQEVSTJZSA-N 394.446 4.722 0 40 GJAB COc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccccc2)cc1 4937703 DQMBNAPJCJKNOY-FCQUAONHSA-N 391.448 4.507 0 40 GJAB CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)[C@H]1CC[C@H](C)[C@H](C)[C@@H]1C 5047949 DSDOVAAVIZFCDR-HSZRPETLSA-N 381.601 4.501 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1cccc(C(F)(F)F)c1 5252288 IRBWYXCDVGKNEN-UHFFFAOYSA-N 388.389 4.647 0 40 GJAB O=c1[nH]c(/C=C/c2ccc3c(c2)OCCO3)nc2scc(-c3ccccc3)c12 5262102 ZWCXTKWTLIOAGH-VQHVLOKHSA-N 388.448 4.593 0 40 GJAB CC(C)(CN1CCCCC1)C(=O)C[C@@H](SCCN)c1ccc(Cl)cc1 5714969 LMVNYERSUUNDTO-GOSISDBHSA-N 383.001 4.544 0 40 GJAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 5748368 DJMQODYMYXVZRH-UHFFFAOYSA-N 389.451 4.876 0 40 GJAB O=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 5894899 JIHMFBPVUYIOGO-NVNXTCNLSA-N 380.252 4.936 0 40 GJAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccc(Cl)cc1Cl 6257794 UKIIEQFGWWYLHW-UHFFFAOYSA-N 391.279 4.979 0 40 GJAB CC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2N2CCOCC2)cc1 6317502 IEXQWRARCJMNSK-UHFFFAOYSA-N 396.531 4.618 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cc2ccccc2o1 6356604 SEFYATAKFVPSAI-UHFFFAOYSA-N 392.484 4.750 0 40 GJAB CCCC[C@@H](CC)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 6481108 WXMNWEXWUUORKU-GFCCVEGCSA-N 392.849 4.972 0 40 GJAB O=C(Nc1ccccc1C(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccccc1 6535406 GBLZWPQBXOTZPM-UHFFFAOYSA-N 388.511 4.885 0 40 GJAB S=c1n(CN2CCCCC2)nc(-c2ccncc2)n1-c1ccc(Cl)cc1 6985504 BIRBAFJMDAIQNZ-UHFFFAOYSA-N 385.924 4.562 0 40 GJAB O=C(CSc1ccccc1Cl)N1CCC(c2nc3ccccc3o2)CC1 7129180 DQDBBAATYUGZAK-UHFFFAOYSA-N 386.904 4.980 0 40 GJAB COc1ccc2cc(CN(C)CC(=O)Nc3c(C)cc(C)cc3C)ccc2c1 7926621 DSUCXTUISVHXFV-UHFFFAOYSA-N 376.500 4.844 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(CSc2ccccc2)s1 9667432 DIJIKWOLFPWYLB-UHFFFAOYSA-N 391.905 4.745 0 40 GJAB O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1N1CCOCC1 9906263 VZOMJDWCCJTTJZ-UHFFFAOYSA-N 397.906 4.619 0 40 GJAB COc1ccccc1C(=O)Nc1nc(-c2cc3cccc(OC)c3o2)cs1 10748298 RGTGCVHHCNSRMB-UHFFFAOYSA-N 380.425 4.826 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 11096802 DFEWHDPSVDXEGM-LJQANCHMSA-N 386.495 4.619 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 12062732 IHBDPOPPQJTNHH-MRXNPFEDSA-N 395.459 4.548 0 40 GJAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2[nH]c3ccccc3c2Cl)CC1 12330636 ZMPHOWSNAJVHMD-UHFFFAOYSA-N 399.897 4.588 0 40 GJAB Cc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4Cl)CC3)cs2)cc1 12556366 CQKQXHNWYZDGCA-UHFFFAOYSA-N 397.931 4.734 0 40 GJAB Cc1ccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1C 12628690 FVYCVOYYQZVOHE-JOCHJYFZSA-N 383.495 4.904 0 40 GJAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1 12773259 FPNDPYREAKSTIV-JFDDCEBESA-N 391.920 4.968 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cc3ccccc3o2)c(OC)c1 12793228 KWDLWDNCZRHJFW-XETPZZHUSA-N 377.440 4.827 0 40 GJAB Cc1ccc(-c2noc(COc3cc4oc(=O)cc(C)c4cc3Cl)n2)cc1 12864776 QQYPWEPEJBWQQI-UHFFFAOYSA-N 382.803 4.692 0 40 GJAB Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@H](c3ccccc3)C2=O)cc1 15413135 SLTIZATXLGAQSU-XMMPIXPASA-N 384.479 4.733 0 40 GJAB O=C(Nc1ccc(OC(F)F)cc1)c1cccc(OCc2cscn2)c1 16706591 DMVCESMMGKJJDK-UHFFFAOYSA-N 376.384 4.576 0 40 GJAB COc1ccccc1CN1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 19564372 PHJCMCLWVSAODZ-CQSZACIVSA-N 387.430 4.857 0 40 GJAB COc1ccc(CN(C)C(=O)c2cccc(OCc3ccccc3)c2)cc1OC 20462638 RKCYTLYTGYXCSM-UHFFFAOYSA-N 391.467 4.555 0 40 GJAB COCCCn1c(-c2ccccc2)c(NC(=O)OC)s/c1=N\c1ccccc1 27024739 KRPAZUPSEIFQLU-XDOYNYLZSA-N 397.500 4.664 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(COc3cccc(C)c3)o2)c1 28237102 IOZWXPCKKBFBGR-MRXNPFEDSA-N 395.455 4.675 0 40 GJAB COCc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 32900634 ODFGACWIBLPYPJ-UHFFFAOYSA-N 375.428 4.729 0 40 GJAB Cc1cccc(C)c1NC(=O)c1sc2ncn(C3CCCC3)c(=O)c2c1C 35673388 MZJQRLNPDJHGKP-UHFFFAOYSA-N 381.501 4.751 0 40 GJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2ccc(F)cc2)cc1 36246003 KBWPUNPGJKYQMJ-UHFFFAOYSA-N 385.460 4.538 0 40 GJAB Nn1c(SCc2ccccc2)nc2cc(-c3ccc(Cl)cc3)sc2c1=O 36646160 TUSFGMKMSNYMNL-UHFFFAOYSA-N 399.928 4.785 0 40 GJAB CCOc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 40104444 ZNACPMQKCJEECN-UHFFFAOYSA-N 393.443 4.595 0 40 GJAB C[C@@H]1CCCC[C@H]1n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 40396586 ADHNOXJVLABPMX-AUUYWEPGSA-N 376.435 4.602 0 40 GJAB COc1ccc2cc(S(=O)(=O)Oc3cc(C)c(Cl)c(C)c3)ccc2c1 41097153 ZTXOPRAJJCQKRA-UHFFFAOYSA-N 376.861 4.886 0 40 GJAB CN(C(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 57486684 HDKWHGZPTVIVAZ-UHFFFAOYSA-N 392.846 4.522 0 40 GJAB O=c1c2ccccc2nc(SCc2ccccc2F)n1Cc1cccs1 67259519 ZUYAWBHKKQDCOK-UHFFFAOYSA-N 382.485 4.938 0 40 GJAB COc1ccc([C@@H](CNC(=O)[C@@H](C)c2ccc(C)s2)N2CCCCC2)cc1 72311315 AQEMUUHUCOGWOY-FXAWDEMLSA-N 386.561 4.512 0 40 GJAB C[C@H](CN1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 72352779 UOPJJORNGHLBHK-QUCCMNQESA-N 395.547 4.720 0 40 GJAB O=C(Cc1ccccn1)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72357942 HWLYUOPDQRZVNK-QFIPXVFZSA-N 391.902 4.627 0 40 GJAB COc1ccccc1C(=O)Nc1ccc(Oc2ccc3c(c2)N=C(O)CC3)nc1 72405704 GZVIZJBHHUWGGL-UHFFFAOYSA-N 389.411 4.669 0 40 GJAB CC(C)(C)OC(=O)Cc1ccccc1NC(=O)CSc1ccc(F)cc1F 78951123 SLJKIYOYBIUZBU-UHFFFAOYSA-N 393.455 4.580 0 40 GJAB O=C(O)c1ccc2c(c1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2 83327070 OBILUORTFSHEOX-UHFFFAOYSA-N 399.446 4.692 0 40 GJAB Cn1c(SCC(=O)NC2(c3ccccc3)CCC2)nc2cc(Cl)ccc21 84311187 GOHRFNXDEFKCEE-UHFFFAOYSA-N 385.920 4.514 0 40 GJAB O=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1ccc(Cl)s1 96357417 FPEDVKZCQAIJRQ-UHFFFAOYSA-N 396.859 4.690 0 40 GJAB Cc1ccc2nc(-c3cnn(C(C)C)c3)c(C)c(C(=O)N3C[C@H]4CC[C@H]3C4)c2c1 102641759 QFTLBQSFGQXMEP-HKUYNNGSSA-N 388.515 4.921 0 40 GJAB Cc1cccc(-c2noc(CNC(=O)c3ccccc3OCc3ccccc3)n2)c1 218988186 MMMHWGXIHUODAN-UHFFFAOYSA-N 399.450 4.554 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C 222974542 BOCJFYZKRGPYIM-YADHBBJMSA-N 390.556 4.953 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 224598732 KDSJZYOPDAXMHD-VQTJNVASSA-N 392.528 4.521 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)c(I)c1 225013186 XRBDTGBSKYANKE-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053924 CHDOMQMXRZXXAD-OAHLLOKOSA-N 392.933 4.763 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@H](CC)c2ccccc2)cc1Cl 225481435 PHXZLHSSCIHGFV-QGZVFWFLSA-N 376.909 4.954 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 225482142 LDXCPNJTOHEYDS-HXUWFJFHSA-N 381.545 4.750 0 40 GJAB Cc1ccccc1[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 225504110 CSUHPTDIXJYOJU-OAQYLSRUSA-N 376.481 4.800 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225699208 MYCDEBUDJMHQMK-CVDCTZTESA-N 390.568 4.864 0 40 GJAB S=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1Cl 225832510 YSKNRYFCCXCIFM-UHFFFAOYSA-N 379.272 4.530 0 40 GJAB CC[C@H](C)[C@@H](NC(=O)c1cc2ccccc2c(=O)s1)c1nc2ccccc2[nH]1 1565519808 IDMKBFVNIZCOMT-ORAYPTAESA-N 391.496 4.655 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1csc(-c2ccccc2)n1 1775968810 LVHZQALJQTWKPU-OAHLLOKOSA-N 396.493 4.595 0 40 GJAB Cc1nnc(N2CCc3ccccc32)c2nn(-c3ccc(Cl)cc3)c(C)c12 642654 FSTOHTLJFZOFQA-UHFFFAOYSA-N 375.863 4.780 0 40 GJAB CCc1ccc(OC(=O)c2cc(Br)ccc2Br)cc1 642784 XYBDOUXZHLJKBV-UHFFFAOYSA-N 384.067 4.993 0 40 GJAB COc1cc(-c2nnc3n2C(C)(C)Cc2cc(C)c(C)cc2-3)cc(OC)c1OC 821604 WBAHRFLYOYVIQR-UHFFFAOYSA-N 393.487 4.546 0 40 GJAB Cc1ccc(OCC(=O)Nc2cc(NC(=O)c3cccs3)ccc2C)cc1 892435 UTTYCJQUBVJDLB-UHFFFAOYSA-N 380.469 4.635 0 40 GJAB Cc1cc(C(=O)CSc2ncccn2)c(C)n1CCc1ccc(Cl)cc1 2618142 OSKUGRXTLCTLHW-UHFFFAOYSA-N 385.920 4.766 0 40 GJAB COc1ccc(OCCSc2nn(-c3ccccc3)c(=S)s2)cc1 2636435 MDKJANHSMRMZOS-UHFFFAOYSA-N 376.528 4.843 0 40 GJAB CC(C)(C)NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3300660 MSNKQLHXXOMMDT-UHFFFAOYSA-N 396.874 4.627 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)COc3ncnc4ccccc34)ccc21 3300962 FVXHABQMDLHKEK-UHFFFAOYSA-N 396.450 4.775 0 40 GJAB C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4088768 VFRYXYDGBRLAEF-CYBMUJFWSA-N 399.903 4.679 0 40 GJAB CCOc1cc(C(=O)Nc2cccc3nc(C)ccc23)cc(OCC)c1OCC 4488152 PHDJZKNQKGLOOH-UHFFFAOYSA-N 394.471 4.992 0 40 GJAB CC(=O)c1ccc(NC(=O)COc2c(C)cc(Br)cc2Cl)cc1 4579971 KVPPQZPMSZCSSH-UHFFFAOYSA-N 396.668 4.631 0 40 GJAB CC(C)Cn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O 5016400 BPNBXYZEUILOCH-UHFFFAOYSA-N 391.496 4.509 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 5147295 NHNJGPDBZKBSDG-CQSZACIVSA-N 391.471 4.722 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(CN3CCCc4ccccc43)cs2)cc1 5688877 RTMUQZGILSIZSB-UHFFFAOYSA-N 377.513 4.586 0 40 GJAB CC[C@@H](C)n1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 5875340 IDVXNGWYTGYUCU-RVZJCZPVSA-N 391.446 4.844 0 40 GJAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)o2)c1 5903009 KCFBDKFNOCEFGI-KBPBESRZSA-N 385.464 4.542 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c(C)c1 6044220 DPITURXAYBEPED-UHFFFAOYSA-N 381.545 4.667 0 40 GJAB O=C(CSc1nc2cc(Cl)ccc2o1)NCCc1ccc(Cl)cc1 7155984 BMWNMUXNHZZOHY-UHFFFAOYSA-N 381.284 4.586 0 40 GJAB CCCc1nnc(S/C(=C\c2c(OC(C)C)ccc3ccccc23)C(=O)O)[nH]1 7342359 UQGLPVLGWBHTFD-PDGQHHTCSA-N 397.500 4.915 0 40 GJAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc2c(c1)OC1(CCCCC1)O2 8039737 KJQAQKIOOUAZNX-QGZVFWFLSA-N 398.528 4.955 0 40 GJAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCCC(C)C)cc3)CC2=O)cc1 8085883 SZRAARMUQGHPDE-IBGZPJMESA-N 394.515 4.666 0 40 GJAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C)ccc(Cl)c3s2)on1 11693195 PFHMZVRBBMAXCU-UHFFFAOYSA-N 398.875 4.797 0 40 GJAB COc1cccc(CNc2ncc(-c3cc(C)no3)c(-c3ccc(C)o3)n2)c1 12185967 KWMAJKUTGRJICK-UHFFFAOYSA-N 376.416 4.629 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 12786080 GSESJJJONDWMCH-JTSKRJEESA-N 377.509 4.998 0 40 GJAB COc1ccc(CCC(=O)Nc2ccccc2-c2nnc(-c3ccco3)o2)cc1 13021728 JWRDKTYTRCBFJY-UHFFFAOYSA-N 389.411 4.577 0 40 GJAB CC1CCC(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)CC1 16608706 PNOIBNYLJVPXBF-UHFFFAOYSA-N 375.944 4.813 0 40 GJAB COc1cccc(CNc2ccc([C@H]3c4ccsc4CCN3C(C)=O)cc2)c1 19018129 BJMMMRYRBOZBKI-QHCPKHFHSA-N 392.524 4.863 0 40 GJAB Cc1ccc(CN(Cc2ccc(F)cc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 19210141 JNLTVHAVEMIJMM-ZJSXRUAMSA-N 394.490 4.690 0 40 GJAB Cc1ccc(-c2nnc(CNC(=O)C(c3ccccc3)c3ccccc3)o2)s1 19217874 NQLSGNXQFOGELD-UHFFFAOYSA-N 389.480 4.555 0 40 GJAB O=C(Nc1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1)c1ccccc1 19542461 VVVMHRMGSNGTFL-GOSISDBHSA-N 379.485 4.653 0 40 GJAB Cc1nc(NCCc2ccccc2C)cc([C@H](C)Cn2nc(C)c(C)c2C)n1 19717900 GZPXVSZUJRSPJS-MRXNPFEDSA-N 377.536 4.674 0 40 GJAB O=C(c1cc(F)ccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21866780 LXBBXGXBBHIUMG-UHFFFAOYSA-N 392.449 4.512 0 40 GJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@H]1CCCc2ccccc21 25439956 FVGATQGKEYGVTF-QFIPXVFZSA-N 390.531 4.755 0 40 GJAB Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3ccc(F)cc3F)cc2)cc1 25919799 JJUXKKSEFAMKCD-UHFFFAOYSA-N 381.378 4.769 0 40 GJAB O=C(COc1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCCCCC1 27662546 LPGCKVJNUXBQTC-GOSISDBHSA-N 392.952 4.514 0 40 GJAB Cc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1C 27663595 PVNXCIATTGYXSN-UHFFFAOYSA-N 379.460 4.668 0 40 GJAB Cc1cccc(NC(=O)c2c(N)n(C(=O)c3cccs3)c3ccccc23)c1 28535402 DTHZAWDWGGSMNM-UHFFFAOYSA-N 375.453 4.534 0 40 GJAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccccc1Nc1ccccc1 30128732 QAVFGXGTIPGNDB-UHFFFAOYSA-N 385.467 4.805 0 40 GJAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)cc2C)CC1=O 31903454 HXPJBVNZMFSGQP-FQEVSTJZSA-N 375.516 4.817 0 40 GJAB CCc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2CSC)N(C)C)cc1 32733111 IXRIXOFSDPYERT-HXUWFJFHSA-N 396.556 4.891 0 40 GJAB COc1ccccc1Nc1c(-c2ccc(Br)cc2)nc2cnccn12 35616414 VERHRVKWTWKBKP-UHFFFAOYSA-N 395.260 4.911 0 40 GJAB CC(C)(C)OC(=O)Nc1cnc(-c2ccccc2)cc1I 44137743 SRMHVFZNJSVRCQ-UHFFFAOYSA-N 396.228 4.700 0 40 GJAB COC(=O)c1cc(Cl)c(NC(=O)N2CCC[C@H]2c2ccsc2)cc1OC 48112945 SJNNEPHKBYTPGV-HNNXBMFYSA-N 394.880 4.566 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 57254375 WKMZMVHWNJFORJ-UHFFFAOYSA-N 385.511 4.570 0 40 GJAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1F 57486709 LHVPWNUKGSPPLS-UHFFFAOYSA-N 396.809 4.636 0 40 GJAB CCc1ccc([C@H](NCC(=O)N2CCc3ccccc32)c2cccs2)cc1 57574251 KGTKLARHHUCVIQ-QHCPKHFHSA-N 376.525 4.579 0 40 GJAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3)n2)c1 64579579 AMTDHAVDTWFOLU-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB Fc1ccccc1-c1nccnc1[C@H]1CCCN(CCOc2ccccc2)C1 72358885 NHEVWMZFJZYXJH-SFHVURJKSA-N 377.463 4.541 0 40 GJAB CN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)Cc1cccs1 83865654 UZPWBZQDZYRLJG-QGZVFWFLSA-N 383.344 4.850 0 40 GJAB Cc1nc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)c(C)s1 95973287 ZGDTZZRIFONWAV-UHFFFAOYSA-N 395.513 4.536 0 40 GJAB O=C(Nc1cccc(F)c1)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 96155256 OAFPBHQDHIMVCX-UHFFFAOYSA-N 397.413 4.578 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 219043689 PELKHDQLWMTZER-GOSISDBHSA-N 377.484 4.755 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCOc2ccc(Cl)cc2)cc(C)c1Cl 224137578 FMOPPSCMFDUZNL-AWEZNQCLSA-N 382.287 4.573 0 40 GJAB CCOc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1OCC 225059298 VSMYXTIBGNZIDF-UHFFFAOYSA-N 379.909 4.660 0 40 GJAB CCCC[C@@H](CC)CNC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 225121464 FJNPDQQGZZICLK-AFDUHFSSSA-N 382.504 4.692 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)n1 225291250 ILKUENWEKQVAJE-UHFFFAOYSA-N 381.907 4.564 0 40 GJAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1cc(Cl)ccc1Cl 253399699 JUSZABWOUDJHOQ-QGZVFWFLSA-N 398.336 4.782 0 40 GJAB Cc1ccc(C[C@@H]2CCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)nc1 257218547 DDNLLSSPEQRYEX-FQEVSTJZSA-N 386.495 4.820 0 40 GJAB O=C(NC(=S)NCc1ccco1)c1sc2cc(Cl)ccc2c1Cl 408627135 KOFFDLIPXPFCJJ-UHFFFAOYSA-N 385.297 4.606 0 40 GJAB CCOc1ccc(-c2[nH]c(=Nc3cccc(Cl)c3)sc2CC(=O)O)cc1 408891174 MNSLZPLVCOOUPI-UHFFFAOYSA-N 388.876 4.655 0 40 GJAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(C)C 408993745 XIENPEBIFHBHSP-OAQYLSRUSA-N 393.487 4.587 0 40 GJAB COc1ccc(CN(Cc2ccccc2)Cc2nc(O)c3sccc3n2)cc1 505922556 ITRYQMBKLOGCQH-UHFFFAOYSA-N 391.496 4.608 0 40 GJAB O=C(c1coc(-c2cccnc2)n1)N1CC2(CCCC2)c2cccc(Cl)c21 622853670 KEWXABVFOTZMRK-UHFFFAOYSA-N 379.847 4.862 0 40 GJAB CC[C@@H](C)c1ccc([C@H](NC(=O)c2cn3c(n2)COCC3)c2cccs2)cc1 623682691 YZLRFMLJCPSGPE-VFNWGFHPSA-N 395.528 4.508 0 40 GJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(Cl)c3)c12 646997282 FMCYULDDJWFJMY-UHFFFAOYSA-N 376.847 4.849 0 40 GJAB S=C1NC(=S)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)S1 942566 NQVAQFINFUYDQN-GHXNOFRVSA-N 382.329 4.999 0 40 GJAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc(C(=O)OC)c1 948610 NCFLSIOBYVRBFC-UHFFFAOYSA-N 398.846 4.904 0 40 GJAB COc1cccc([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)N3CCCN23)c1 1424832 FYJVZWIAVLQWRZ-QGZVFWFLSA-N 378.259 4.564 0 40 GJAB CCCCCC(=O)Nc1c(-c2ccccc2OC)c(=O)c2ccccc2n1C 2218137 YLOSQFZTXWMXEP-UHFFFAOYSA-N 378.472 4.733 0 40 GJAB COc1ccc(-c2c(NC(=O)c3ccc(C)cc3)n(C)c3ccccc3c2=O)cc1 2241601 AUZMFESSUNEVJS-UHFFFAOYSA-N 398.462 4.775 0 40 GJAB CCCCCC(C(=O)N[C@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 2273724 KNCJCDJSWFXAAO-RTBURBONSA-N 380.532 4.938 0 40 GJAB COc1ccc(C(=O)NC(=S)N2c3ccc(C)cc3C(C)=CC2(C)C)cc1 2316306 NHVWMBWHOUDUGH-UHFFFAOYSA-N 380.513 4.720 0 40 GJAB Clc1ccc(OCc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 2395345 ZFFSUSHMHIQOIZ-UHFFFAOYSA-N 377.256 4.739 0 40 GJAB C[C@H](OC(=O)c1ccc2ccccc2c1)C(=O)Nc1ncc(Cl)cc1Cl 2640906 JPMKAKGQRPVPBS-NSHDSACASA-N 389.238 4.726 0 40 GJAB COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c1c(C1CC1)nn2C 2741083 ILHYKSCCJBJEFY-UHFFFAOYSA-N 376.243 4.606 0 40 GJAB CCc1ccc2c(CSc3nnc(C)n3Cc3ccccc3)cc(=O)oc2c1 3288943 QAGBRFPPVMPXFA-UHFFFAOYSA-N 391.496 4.596 0 40 GJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc1 3300525 BPCORYYLPSLYAU-UHFFFAOYSA-N 380.469 4.580 0 40 GJAB CCCCO[C@H]1C[C@H](c2ccc(OCc3ccc(F)cc3)c(OC)c2)N(C)O1 4002183 XVWVYGFZPKXLNC-DENIHFKCSA-N 389.467 4.864 0 40 GJAB O=C1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccccc1F 4225247 TYHOQPLIKWWQNO-IBGZPJMESA-N 399.469 4.939 0 40 GJAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc(Cl)cc1 5170334 VZWOLTOTIMQEOW-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB CCn1cc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 6490280 PWQGLTOZXWPJJS-QCIOQSQUSA-N 394.559 4.789 0 40 GJAB Cc1cc(C)cc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 7929484 OVDSHWOJNILGTR-ZDUSSCGKSA-N 378.255 4.569 0 40 GJAB COc1ccc2cc(COC(=O)c3ccc4ncsc4c3)c(Cl)nc2c1 7979562 JRHHPSQAFPYPSE-UHFFFAOYSA-N 384.844 4.864 0 40 GJAB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1cccc2ccccc12 8072155 GYFSWMRJVYXTIC-UHFFFAOYSA-N 398.900 4.625 0 40 GJAB COc1ccc(CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)cc1F 8074937 KAKACVWBNLXOIH-UHFFFAOYSA-N 394.446 4.697 0 40 GJAB COc1ccc(CC(=O)Nc2ccc(Sc3nc4ccccc4[nH]3)cc2)cc1 8216664 MDUMKIQIUPRDLT-UHFFFAOYSA-N 389.480 4.904 0 40 GJAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCCc3ccco3)cc12 8275445 DPPCGAZVDVZJOI-UHFFFAOYSA-N 385.876 4.614 0 40 GJAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(C)cc(C)c3)ccc21 8958903 PLIDTOQHKGZGJJ-UHFFFAOYSA-N 380.488 4.717 0 40 GJAB Cc1ccc(SCC(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1C 9213763 CNAHESCKEYBSSH-UHFFFAOYSA-N 397.418 4.596 0 40 GJAB CC[C@H](C(=O)Nc1cccc(-c2cn3nc(OC)ccc3n2)c1)c1ccccc1 11693393 BLNJJHZAJNCPGQ-IBGZPJMESA-N 386.455 4.537 0 40 GJAB CC(=O)c1cc(C(=O)Nc2cccc(C(=O)N(C)C3CCCCC3)c2)cs1 12196421 HAGFNYJTMIBMSE-UHFFFAOYSA-N 384.501 4.608 0 40 GJAB CCCC(=O)N1CCC(c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)CC1 12242078 JVBNOHABBFCLFY-UHFFFAOYSA-N 396.457 4.552 0 40 GJAB C[C@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)c1cccc(Cl)c1 12539648 YNRJDJYDEBOJOO-AWEZNQCLSA-N 383.831 4.973 0 40 GJAB C/C=C/c1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC 12628443 OKHVQQKLWDUZLL-AMGQUURNSA-N 391.471 4.591 0 40 GJAB Cc1ccc(-n2nc(C)c3c2N=C(O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 13127208 OOFJLPXTMMWITI-FQEVSTJZSA-N 393.468 4.642 0 40 GJAB aggregator CC(=O)Nc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 14128968 YANKUIVBQMUHHT-DTQAZKPQSA-N 381.435 4.515 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 14401460 APBGVICFVPWQED-UHFFFAOYSA-N 388.895 4.524 0 40 GJAB Cc1ccc(-n2c3c(c(SCc4ccc(Cl)cc4)nc2=O)CCC3)cc1 15840423 SWXVAECAWYYWRH-UHFFFAOYSA-N 382.916 4.975 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCC(C)C)cc1C 17207921 NFIAXNIOGOQVRK-UHFFFAOYSA-N 398.532 4.505 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2ccccc2F)c2c[nH]c3ccccc23)cc1 18074514 VLELJZSJHCYMLT-HXUWFJFHSA-N 388.442 4.878 0 40 GJAB O=C(CCc1nc(-c2ccccc2)no1)OCc1csc(-c2ccsc2)n1 19357616 OGCZTWIYZGFBPP-UHFFFAOYSA-N 397.481 4.598 0 40 GJAB Cc1noc2nc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)cc(C(F)F)c12 19563878 BZCMGCZASMQISB-INIZCTEOSA-N 399.441 4.808 0 40 GJAB c1ccc2sc([C@H]3CCCN(Cc4nc(-c5ccsc5)no4)C3)nc2c1 24601477 XNRAXKFSESFHDJ-ZDUSSCGKSA-N 382.514 4.787 0 40 GJAB CCc1ccc(-c2noc(CCC(=O)Nc3c(CC)cccc3CC)n2)cc1 25051185 PWXSEEVFDNBPIP-UHFFFAOYSA-N 377.488 4.995 0 40 GJAB Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)c1ccc2ccccc2c1)C(C)C 27408995 KPZPTUCRMSFCRI-WZONZLPQSA-N 388.511 4.780 0 40 GJAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NC[C@@H]1CCN(c2ccccc2)C1 27840363 CUDGVYXYZBQGBO-DVQDXYAYSA-N 391.902 4.544 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 32820688 YRCBOWPJKNATCY-NRFANRHFSA-N 378.472 4.779 0 40 GJAB COc1ccccc1-n1cnn(CN[C@H](c2ccccc2)C(C)(C)C)c1=S 32911748 CDHISZJSDWAUTH-LJQANCHMSA-N 382.533 4.746 0 40 GJAB COc1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc(OC)c1OC 34736574 RELWKPNUSGLWEZ-UVTDQMKNSA-N 399.468 4.728 0 40 GJAB Cc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 35400306 GHPNMTWUPZIAGX-UHFFFAOYSA-N 397.453 4.895 0 40 GJAB CC[C@@H](C(=O)Nc1cccc(CN(CC)C(=O)C(F)(F)F)c1)c1ccccc1 36759727 MFDIDECVQKKJBP-GOSISDBHSA-N 392.421 4.730 0 40 GJAB Cc1ccc(C)c(NC(=S)NCc2cccc(NC(=O)c3ccco3)c2)c1 40073255 JGLSUMPVNUDCBO-UHFFFAOYSA-N 379.485 4.635 0 40 GJAB COc1ccc(CCNC(=S)Nc2c(C)cc(Br)cc2C)cc1 44195349 UCMFULOBSTYYCB-UHFFFAOYSA-N 393.350 4.604 0 40 GJAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1cc(-c2cccc(F)c2)no1 48265348 FBTSJMUGMJINHC-UHFFFAOYSA-N 382.288 4.569 0 40 GJAB CC(C)n1ncc2c(C(=O)N[C@H](C)c3ccccn3)cc(-c3cccs3)nc21 48272165 MTAKXXYCXYSREB-CQSZACIVSA-N 391.500 4.627 0 40 GJAB COCCCn1c(C)cc(C(=O)CSC2=Nc3ccccc3CS2)c1C 58018189 JLXXYJBNKKKFBN-UHFFFAOYSA-N 388.558 4.992 0 40 GJAB COc1ccc(C(C)=O)cc1NC(=O)/C=C/c1cc2cc(Cl)cc(OC)c2o1 67339497 IFZJPZPAOSMHGN-FNORWQNLSA-N 399.830 4.958 0 40 GJAB CCc1nc(CCNC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cs1 72083187 BZFFNMPNKVVNNZ-HXUWFJFHSA-N 379.529 4.531 0 40 GJAB O=C(c1cnc2ccccc2c1NCc1cc(F)cc(F)c1)N1CCCCC1 72328449 DOHTZKMTQRAOGA-UHFFFAOYSA-N 381.426 4.751 0 40 GJAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccccc1SCC(F)(F)F 84579268 VLSHRMZDWKBUQZ-AWEZNQCLSA-N 381.375 4.581 0 40 GJAB CC(=O)Nc1cccc(NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)c1 95476165 ILQMLIPDFURYJP-SFHVURJKSA-N 395.890 4.913 0 40 GJAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCCCOCC(C)C)(C4)C2)C3)cc1 103900111 HIPUOXBJBBYQPW-JSZXIJHASA-N 399.575 4.712 0 40 GJAB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)Nc1ccccc1Cl 217880996 KEOGBKLAFDHDMQ-UHFFFAOYSA-N 386.908 4.964 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219314088 QTMHWJFNSRQEOD-OALUTQOASA-N 383.488 4.580 0 40 GJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccccc1 225073188 JOWSLLGSGDTNSF-OAQYLSRUSA-N 398.572 4.502 0 40 GJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)o1 225334428 NFJFEDWNZOQGBO-LEWJYISDSA-N 393.512 4.947 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccc(C)cc1 225485820 NIYKGUZSSLLDQP-IBGZPJMESA-N 381.545 4.868 0 40 GJAB Cc1cccnc1NC(=S)NCc1ccc(OCc2ccc(F)cc2)cc1 225535466 MNJLYLLWJAIVNM-UHFFFAOYSA-N 381.476 4.595 0 40 GJAB O=C(/C=C/c1ccccc1Cl)N1CC[C@H](Oc2cccc3cccnc23)C1 225704828 PJDZEQKJDWZNFM-ZGKFYVQTSA-N 378.859 4.581 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225842387 WJVRPLBZVKTMCT-KSFYIVLOSA-N 393.524 4.965 0 40 GJAB COc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cn1 225875128 BUNRINLTIGENMZ-UHFFFAOYSA-N 389.952 4.976 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@H](Cc3nccs3)C2)cc1 257312903 UQDDVFGWNUDVQD-QGZVFWFLSA-N 378.497 4.573 0 40 GJAB CCOc1cc(COc2ccc(CO)cc2OC)ccc1OCc1ccccc1 408540298 PSMSVXQJWDZTLT-UHFFFAOYSA-N 394.467 4.744 0 40 GJAB CCCCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 408627133 KNKQYXVURNZHJE-UHFFFAOYSA-N 386.908 4.887 0 40 GJAB O=C(Oc1ccccc1-c1ccccc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408659289 KNHOANYEPYNIHN-QGZVFWFLSA-N 391.854 4.966 0 40 GJAB O=C(Nc1ccccc1)c1cccc(C(=O)Nc2cc3c(cc2Cl)OCO3)c1 505923322 SFMVDSNOYPCRNB-UHFFFAOYSA-N 394.814 4.573 0 40 GJAB c1ccc(CCSCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 1501039873 CHQVDHQZZPDKHD-UHFFFAOYSA-N 391.525 4.810 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)CCOc3ccccc3)CC[C@@H]2N1c1cccc(F)c1 1615160008 WOVSPOFPIABHSX-GCJKJVERSA-N 396.506 4.501 0 40 GJAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3cc4ccccc4o3)coc2c1C 630473 SSYKBPDYQMJVGZ-CQSZACIVSA-N 392.407 4.845 0 40 GJAB biogenic CCCc1nn(C)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1Cl 633100 SPSYPOQEGZMQJY-UHFFFAOYSA-N 380.197 4.951 0 40 GJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(Cl)c1Cl 681076 ZBPWUYFBXMMHAD-UHFFFAOYSA-N 389.691 4.782 0 40 GJAB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccs1 684652 VJTATNOPIPTWQF-GOSISDBHSA-N 398.513 4.546 0 40 GJAB Cn1c(SCc2c(F)cccc2Cl)nc2sc3c(c2c1=O)CCCC3 869105 UARVOIWXFUYIOJ-UHFFFAOYSA-N 394.924 4.959 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccc(C)c(C)c4)n3c2c1 903077 HJRQOBABUXCXRS-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB Fc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=S)NC2CCCCC2)C3)cc1 1370508 BLBVCNXVLVKROY-SFTDATJTSA-N 389.584 4.508 0 40 GJAB COc1cccc2cc(-c3cn(-c4ccc(Cl)cc4)c(=S)[nH]3)c(=O)oc12 2957857 MGNHJPMABKIZIB-UHFFFAOYSA-N 384.844 4.970 0 40 GJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1C(F)(F)F 4003169 WUGTXIAXOUCXNW-UHFFFAOYSA-N 387.283 4.713 0 40 GJAB COc1ccc(CN(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1 4566475 QBGALSGYSFABJX-UHFFFAOYSA-N 377.484 4.915 0 40 GJAB O=C1CS[C@H](c2ccccc2)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4568419 PEMBPQVFLYWUOU-YXSDIZSPSA-N 397.569 4.785 0 40 GJAB aggregator Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(Cl)c1Cl 4678554 DHQRUUFPLNBBNT-UHFFFAOYSA-N 376.243 4.735 0 40 GJAB O=C(C[S@@](=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1Cl 5249186 AUBZSYNZVZOFKA-DEOSSOPVSA-N 396.217 4.759 0 40 GJAB Cc1cc2oc(=O)cc(COC(=O)COc3cccc(Cl)c3)c2cc1Cl 5802183 MSJHSJUZMQLPHS-UHFFFAOYSA-N 393.222 4.530 0 40 GJAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1 6345771 JYPRGAWFHFEJQF-QGZVFWFLSA-N 394.515 4.763 0 40 GJAB COc1cc2c(cc1OC)CN(C(=O)c1ccccc1Oc1ccccc1)CC2 6581628 HQMVCDKVISMYCG-UHFFFAOYSA-N 389.451 4.695 0 40 GJAB Cc1ccccc1NC1=NN=C(c2cc(C)n(C[C@H]3CCCO3)c2C)CS1 7849259 LMCYQYBZSCNLDC-QGZVFWFLSA-N 382.533 4.511 0 40 GJAB CCOc1ccccc1Nc1nnc(SCc2cn3cccc(C)c3n2)s1 8161151 ZIXIRNGSOHMMQW-UHFFFAOYSA-N 397.529 4.929 0 40 GJAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)C1C[C@@H]2CCC[C@H](C1)C2=O 8391301 LYHAYLWOQRXFEU-SRDOODBNSA-N 376.452 4.549 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)/C=C/c2cccc(OC)c2OC)cc1 8394318 JEAHAWVXMIJMSZ-RDOKFVIMSA-N 395.499 4.870 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1ccccc1Cl 8479047 UDFAMNWPURFVGD-QGZVFWFLSA-N 381.900 4.686 0 40 GJAB CC(C)Cc1nc2oc3c(NCc4ccccn4)ncnc3c2c2c1CCCC2 8673056 NJLUABHBWAUZFL-UHFFFAOYSA-N 387.487 4.855 0 40 GJAB COc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2C)c1 9158589 FQLOKKHSPCUTEO-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB O=C(NCc1ccccc1CN1CCCC1)c1ccccc1Cc1ccccc1 9255177 KMIQGECZFLAVTK-UHFFFAOYSA-N 384.523 4.803 0 40 GJAB COc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)Cc2ccco2)cc1 9431919 LNSFNNWBHZENHM-UHFFFAOYSA-N 385.847 4.549 0 40 GJAB COc1cc(CN(C)C(=O)c2cc(C)oc2C)ccc1OCc1ccccc1 9591721 RCRKZSVZKQHWTK-UHFFFAOYSA-N 379.456 4.756 0 40 GJAB COc1ccc2cnc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)cc2c1C 12187837 CVQPUUJTHAEFLJ-OAQYLSRUSA-N 388.511 4.891 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)COc3c(C)cc(Cl)cc3C)o2)cs1 12618830 VVNAPEHIALGMSL-UHFFFAOYSA-N 390.892 4.677 0 40 GJAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1 16841201 FNXGVGGFWGTORO-UHFFFAOYSA-N 392.459 4.575 0 40 GJAB CC(C)C(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19085602 NCFYGGCUBRXCCU-FQEVSTJZSA-N 387.487 4.602 0 40 GJAB CN(C)C(=O)c1cccc(NC(=O)c2ccc(C3SCCCS3)cc2)c1 22510122 OWOGMHLRRNOOHY-UHFFFAOYSA-N 386.542 4.509 0 40 GJAB Cc1ccc(-n2cnnc2S[C@@H](C)c2nc(C(C)(C)C)no2)cc1Cl 24046352 IFLWSLOEZYCMNV-NSHDSACASA-N 377.901 4.763 0 40 GJAB O[C@@H](c1ccccc1)C1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 25454414 PWYDVZKUZVVGQG-SFHVURJKSA-N 387.405 4.599 0 40 GJAB Cc1nc(NC(=O)c2cc(Br)c(Br)s2)sc1C 27912572 POHYJUVBRCXOAH-UHFFFAOYSA-N 396.129 4.599 0 40 GJAB CCOc1ccc(-c2noc(Cc3nc(-c4ccc(F)cc4)cs3)n2)cc1 33298205 QVHBSRPEQIJBSY-UHFFFAOYSA-N 381.432 4.989 0 40 GJAB O=C(Nc1ccccc1F)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849231 DTSBYNSFOYZLHY-AWEZNQCLSA-N 381.278 4.983 0 40 GJAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N(Cc1ccccc1F)C1CC1 40131329 BAYJXOPTVJFWNX-UHFFFAOYSA-N 395.453 4.501 0 40 GJAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 48255517 IIGXUYRCZHYCGI-CYBMUJFWSA-N 375.419 4.750 0 40 GJAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCC[C@@H]3c3cc(C)no3)s2)cc1 48301454 MDVZUTUAFRCFGW-QGZVFWFLSA-N 397.500 4.613 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@H]1c1cccc(Br)c1 48374611 SDFKJLGJCFLBRF-KRWDZBQOSA-N 398.256 4.533 0 40 GJAB C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1cccnc1 59324932 NQECPEWBDKEMKM-ZIAGYGMSSA-N 387.940 4.792 0 40 GJAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 65515699 BDRMIBURWDMJCX-UHFFFAOYSA-N 381.426 4.538 0 40 GJAB Cc1ccc([C@H]2c3ccccc3NC(=O)CN2C(=O)c2ccccc2Cl)cc1 72314650 UOWJOZALKZWYLN-QFIPXVFZSA-N 390.870 4.832 0 40 GJAB COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72348639 IMNDPWOHADZHNP-NRFANRHFSA-N 386.495 4.701 0 40 GJAB O=C(Cc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72349011 HFLRDFPLFDXNTR-UHFFFAOYSA-N 388.486 4.760 0 40 GJAB Cc1nn(C)cc1CCC(=O)Nc1cc(Cl)ccc1NCc1ccccc1 79096626 XRCKBXFDPCKDCE-UHFFFAOYSA-N 382.895 4.565 0 40 GJAB COc1ccccc1CN(C)C(=O)c1cc(-c2ccncc2)nc2ccccc12 89363631 HIDYCCITRKRXSM-UHFFFAOYSA-N 383.451 4.578 0 40 GJAB O=C(CCc1cccc(Cl)c1Cl)NC[C@H](O)c1ccc(Cl)c(F)c1 95448128 ZNPVCGOXQCZTEV-HNNXBMFYSA-N 390.669 4.568 0 40 GJAB CCN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(Br)cn1 95960734 REAFDOLUQXGZAD-UHFFFAOYSA-N 392.684 4.574 0 40 GJAB CCOC(=O)c1cn(Cc2cccc(C)c2)c2cc(C(F)(F)F)ccc2c1=O 199732970 VQAUETHAVCZCDP-UHFFFAOYSA-N 389.373 4.554 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 223305418 KMHRFNICWVCUJJ-QFIPXVFZSA-N 394.559 4.568 0 40 GJAB Cc1ccc(OCCNC(=O)CSCc2c(F)cccc2Cl)cc1C 223456804 WJCRBFWCAVIUPB-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)ccc1Cl 224183613 BZGMAMGJXATTPP-CQSZACIVSA-N 382.287 4.573 0 40 GJAB Cc1cc(C)c(C)c(OCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 224647617 VTGDYVOYZYCFMN-UHFFFAOYSA-N 399.541 4.773 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 225005403 FTGKOGSSXSTIRW-LJQANCHMSA-N 390.936 4.686 0 40 GJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1 225172474 KOODJUMHMFVSBN-GOSISDBHSA-N 386.495 4.957 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)COc1cc(C)ccc1C(C)C)CC(C)(C)O2 225310910 CYEHVXYOOCBGGF-HXUWFJFHSA-N 397.515 4.924 0 40 GJAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCC2=O)cc1 225332435 DHXIAJZQWBIHAO-UHFFFAOYSA-N 377.271 4.692 0 40 GJAB COc1ccc(NC(=S)NCCSCc2cccc(C)c2)c2cccnc12 225339728 MQFCUSSGTMTRGC-UHFFFAOYSA-N 397.569 4.772 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)c(C)c1 225489630 DEOFJVYFBCKVJW-SFHVURJKSA-N 386.517 4.618 0 40 GJAB Cc1cccc(C)c1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225803184 CKUYFDBDVZNZHY-UHFFFAOYSA-N 389.377 4.944 0 40 GJAB Cc1cc(NC(=S)NC2(c3ccncc3)CCCC2)ccc1Br 225854172 DMWMKERYNFZSBA-UHFFFAOYSA-N 390.350 4.908 0 40 GJAB CCOc1cc(NC(=O)c2ccc(Cl)cc2Cl)cc2sc(N)nc12 226310576 UCFCMNDGYNOOBG-UHFFFAOYSA-N 382.272 4.836 0 40 GJAB COc1cc([C@@H]2O[C@@H]3CCCC[C@H]3c3cc4c(cc32)OCO4)cc(OC)c1OC 245240108 LOKJUZWMHIWIBX-ORHBMQHOSA-N 398.455 4.587 0 40 GJAB C[C@H]1CCc2sc(C(=O)N3CCC[C@@H](c4cc(C(F)(F)F)n[nH]4)C3)cc2C1 461956495 HXIQKQZLJJRVQJ-NWDGAFQWSA-N 397.466 4.635 0 40 GJAB O=C(NCCn1nc(C2CC2)cc1C1CC1)Nc1ccc(Cl)c(Cl)c1 585299936 BXOGKUSDJVJYGT-UHFFFAOYSA-N 379.291 4.766 0 40 GJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 674184 PUVQSHARRQIQOK-UHFFFAOYSA-N 395.484 4.748 0 40 GJAB COc1ccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CCCC4)cc1 1240364 RLXKUWHIPYCGND-UHFFFAOYSA-N 399.541 4.618 0 40 GJAB C[C@H]1CCCc2sc3ncn4c(SCC(=O)c5ccccc5)nnc4c3c21 1302570 DSUBMZPRBXVZFK-LBPRGKRZSA-N 394.525 4.754 0 40 GJAB COc1ccc(C(=O)C2CCN(C(=S)Nc3ccc(C)c(C)c3)CC2)cc1 1336934 DWAHYXRDRIBTPZ-UHFFFAOYSA-N 382.529 4.604 0 40 GJAB COc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)Nc2cccc(C)c2)C3)cc1 1370550 FJJZIDAYYKUCTC-VXKWHMMOSA-N 393.531 4.711 0 40 GJAB COc1ccc(Oc2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1 1403467 UZOVFXXZWKGMFL-UHFFFAOYSA-N 383.469 4.641 0 40 GJAB Cc1cccc(Nc2nnc3nc(-c4ccccc4)c(-c4ccccc4)nn23)c1 1610139 VDOJKYQRTGBKAB-UHFFFAOYSA-N 378.439 4.905 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3F)n2)cc1 2429969 DSVKCEDYQXTWSR-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB Cc1cc(C)c(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c(C)c1 2633929 LXSQDOJHLQHZLL-UHFFFAOYSA-N 397.478 4.622 0 40 GJAB O=C(CN1CC=C(c2ccccc2)CC1)NC(c1ccccc1)c1ccccc1 3365792 VTOCBPLHTQYSII-UHFFFAOYSA-N 382.507 4.682 0 40 GJAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 3422391 CYAONXFZRGDYAS-IBGZPJMESA-N 387.479 4.755 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3C[C@@H]3OC(=O)[C@@H](C)[C@@H]32)C1 4023304 OWDSQNAIMXYQHD-PRINTQEKSA-N 386.532 4.669 0 40 GJAB biogenic COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1C[C@@H](C(C)(C)C(C)C)C[C@@H](C)C1=O 4061925 JQRKTVYMLPNBDE-URYASSDKSA-N 388.504 4.829 0 40 GJAB COc1c(C)cccc1C(=O)NC(=S)Nc1nc(-c2ccc(C)cc2)cs1 4703972 BBBGOEVVSJMAMF-UHFFFAOYSA-N 397.525 4.562 0 40 GJAB CCCCN1C(=O)[C@](O)(CC(=O)c2cc(C(C)C)ccc2C)c2ccccc21 4724196 ASTULDOQMNNDSI-DEOSSOPVSA-N 379.500 4.726 0 40 GJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)[C@H]1CC=CC[C@H]1C(=O)O 4788676 VMSDSBBNXNQGRD-JKSUJKDBSA-N 378.453 4.569 0 40 GJAB Nc1nc(N)c2sc3nc(-c4cccs4)cc(-c4ccccc4)c3c2n1 4903570 FJTGBFBQHWLHHZ-UHFFFAOYSA-N 375.482 4.799 0 40 GJAB Cc1ccc(Cc2cnc(N3C(=N)S[C@H](c4ccccc4)C3=O)s2)cc1 5017016 KBJMZLCYLXHEOK-QGZVFWFLSA-N 379.510 4.798 0 40 GJAB aggregator Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(Cl)cc3Cl)NC(=O)CN21 5177162 DRFPGIWXUBFWAY-SHBDEGQCSA-N 387.310 4.939 0 40 GJAB COc1ccc2[nH]cc(CCn3c(-c4ccccc4)nc4ccccc4c3=O)c2c1 5274205 HWIINPRCPLPIPY-UHFFFAOYSA-N 395.462 4.796 0 40 GJAB CC(C)c1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 5977304 LCYIGDWHMDIJLE-UHFFFAOYSA-N 383.300 4.949 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(Cl)cc1Cl 6054788 KIBCWHBJWIFQDQ-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB Cc1ccc2[nH]c(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)nc2c1 6649733 SWPUGQQARKHZJF-ZDUSSCGKSA-N 396.541 4.793 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc2ccc(F)cc2s1 6880030 PWMKMZZBFFJVPS-VIFPVBQESA-N 395.253 4.604 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)OCc2cc(=O)oc3cc(C)ccc23)c1 6886905 IXYBJFJFPDENDN-UHFFFAOYSA-N 380.440 4.655 0 40 GJAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccc3c(c2)OCO3)cc1 7640436 DXMOOAHTYSPOMW-QHCPKHFHSA-N 388.467 4.536 0 40 GJAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccs1 7988148 XBGCWWUUGKLRIW-INIZCTEOSA-N 388.496 4.546 0 40 GJAB CC(C)[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccs1 8013287 NDTVGXGRBRLBLE-APWZRJJASA-N 385.533 4.506 0 40 GJAB Cc1ccccc1-n1cnnc1SCc1cc(Cl)c2c(c1)OCCCO2 8157218 QTMDNNXLPWDQHJ-UHFFFAOYSA-N 387.892 4.683 0 40 GJAB Clc1snnc1CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 8232028 YZEMXJZFSDPVNA-UHFFFAOYSA-N 388.909 4.559 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)c(C)c1 10446283 XCEHGYCDZYZFEU-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 12170360 GXXOWKVSFUEDIJ-DMVNYMPASA-N 397.603 4.872 0 40 GJAB C[C@H](CN1CCC([C@@H](NC(=O)C(C)(C)C)c2nccs2)CC1)c1ccccc1 12365685 LKEJPSTYVQFSDD-YLJYHZDGSA-N 399.604 4.862 0 40 GJAB COc1ccc2c(=O)c(Oc3ccc(C(=O)NC4CCCC4)cc3)c(C)oc2c1 12442384 PPWUBBMRRPOXGY-UHFFFAOYSA-N 393.439 4.575 0 40 GJAB biogenic Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCSc2c(F)cccc21 12548979 AIOQAMQUYPYEMW-FQEVSTJZSA-N 380.488 4.887 0 40 GJAB Cc1ccc(-n2nnnc2SCc2coc(-c3ccc(Cl)cc3)n2)cc1 12869991 UKBPJRONSNMFLI-UHFFFAOYSA-N 383.864 4.571 0 40 GJAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)cc1Cl 12894594 NKQAIIYTQYDOAN-UHFFFAOYSA-N 392.902 4.530 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12894882 BSNOZHKSZOJFLW-INIZCTEOSA-N 399.450 4.903 0 40 GJAB CC(C)c1ccc(-c2nc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)cs2)cc1 12917800 HFETYXLIOMVUGT-UHFFFAOYSA-N 393.468 4.517 0 40 GJAB COc1cccc(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)c1 12936973 MGGYKWYVICASQG-UHFFFAOYSA-N 388.876 4.876 0 40 GJAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1OC 12975469 DKNVPEXZJRTFIX-RMKNXTFCSA-N 380.271 4.682 0 40 GJAB Cc1ccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccc(Cl)cc2)cc1 16311039 UVAVRWJPVXGGIF-UHFFFAOYSA-N 388.862 4.626 0 40 GJAB COCCNC(=O)c1sc2c(cnc3ccc(OC)cc32)c1-c1ccccc1 16846854 NJJHLTKSUFOKSO-UHFFFAOYSA-N 392.480 4.501 0 40 GJAB Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)CC2CCCCC2)c1C 19558125 CMDNTWDCMQVBNB-IBGZPJMESA-N 384.524 4.716 0 40 GJAB Cc1noc(CCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)n1 19714349 GYUUATUNQCLCOG-UHFFFAOYSA-N 398.875 4.879 0 40 GJAB CCCCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 27794370 UTSDSXANRHMFTO-QHCPKHFHSA-N 380.532 4.741 0 40 GJAB CC(=O)Nc1cccc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 32360365 RANBGIBAZDFZFI-JOCHJYFZSA-N 390.508 4.795 0 40 GJAB CC(=O)N(c1nc(CN2CCc3sccc3C2)cs1)c1ccccc1F 32879829 FBDLFACZYAFCQT-UHFFFAOYSA-N 387.505 4.587 0 40 GJAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 32926700 ZVCVLMSTAFGQJM-KBPBESRZSA-N 389.293 4.755 0 40 GJAB CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(F)c3F)c12 40128435 QIPOVBTXOZSZTP-UHFFFAOYSA-N 375.350 4.722 0 40 GJAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(-c2nccn2C)c1 40150338 UHGOVMXWCZPROK-UHFFFAOYSA-N 388.496 4.695 0 40 GJAB O=C(COc1ccc(F)cc1)Nc1ccc2nc(-c3ccccc3F)oc2c1 41085988 AOTVLBHMAZAUHI-UHFFFAOYSA-N 380.350 4.791 0 40 GJAB CSCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc2ccccc2c1 41157950 DCWYIAKAHUQBSR-NRFANRHFSA-N 392.524 4.638 0 40 GJAB Cc1ccc(C(=O)N(C2CC2)[C@@H](C)C2CC2)cc1NC(=O)c1ccccc1F 42917066 KIIVQGRYGVLWCW-HNNXBMFYSA-N 380.463 4.790 0 40 GJAB Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44873400 SCOMQWVDXGLEQT-IBGZPJMESA-N 382.573 4.778 0 40 GJAB O=C(NCc1cnc2ccccc2c1)c1ccccc1OCCOc1ccccc1 48311326 KZZXFLYXRXYEGF-UHFFFAOYSA-N 398.462 4.623 0 40 GJAB CN(C(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)C1CCCCC1 57487286 YHUOOCHHMFQMBB-UHFFFAOYSA-N 398.894 4.650 0 40 GJAB Cc1cc(C)c(C(=O)CCCC(=O)N2CCO[C@@H](c3ccccc3)C2)c(C)c1 58010259 FQDZCYVXUBWQDE-JOCHJYFZSA-N 379.500 4.565 0 40 GJAB O=C(NCCc1ccc(Cl)s1)c1cc(-c2ccncc2)nc2ccccc12 58369940 MPBMKRIJAQUEPC-UHFFFAOYSA-N 393.899 4.984 0 40 GJAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC 59351844 HHWVCMLWGAZKOK-UVMWJGKXSA-N 380.271 4.901 0 40 GJAB O=C(NCc1ccc(Br)cc1)c1cc(-c2cccc(Cl)c2)no1 66089004 RXESBQKOFAHVBC-UHFFFAOYSA-N 391.652 4.688 0 40 GJAB Cc1cc2cn[nH]c2cc1NC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 69737897 OTCUKCHNLFQRCU-UHFFFAOYSA-N 383.411 4.635 0 40 GJAB Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)c1cccc(OC(F)F)c1 95957264 FLKUSKSYXNCGCC-UHFFFAOYSA-N 383.398 4.912 0 40 GJAB Cc1ccnc([C@H](NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)C2CC2)n1 95977894 BEVXKLXSEUGGGI-MRXNPFEDSA-N 398.919 4.751 0 40 GJAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1Cl 98211307 UIIFRWVOVHFGKP-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1ccc(F)cc1 100156384 LBSHQBWPRZXGKN-OTVXOJSOSA-N 385.464 4.641 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(OCCC(C)C)cc3)CC2=O)cc1C 103716862 SQMTZOWRGJPVDG-LJQANCHMSA-N 394.515 4.720 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 219330183 YPULCBOTHUDQEK-JOCHJYFZSA-N 383.532 4.999 0 40 GJAB Cc1ccc(N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1 219853269 JPMMKIZTOFFNRV-UHFFFAOYSA-N 376.544 4.693 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C 222780950 RKGBUAQWWSBRLI-NHCUHLMSSA-N 382.577 4.998 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 223313848 BOYOHEIMICRKAO-QFIPXVFZSA-N 394.559 4.568 0 40 GJAB CC(C)(C)CC(C)(C)NC(=O)COc1ccc(Br)cc1Cl 224262187 KLXORQFDIWEWOQ-UHFFFAOYSA-N 376.722 4.812 0 40 GJAB CCc1ccc(CC)c(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 225350917 UUNFKNQIGWJVDB-OAQYLSRUSA-N 398.978 4.993 0 40 GJAB COC(=O)c1cc(NC(=S)NCCCc2ccccc2Cl)ccc1Cl 225541047 DDKMDTGLSLGSJN-UHFFFAOYSA-N 397.327 4.699 0 40 GJAB CC(C)Oc1cccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c1 225741228 ROZCRVSIXXBXSX-KRWDZBQOSA-N 383.561 4.602 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1C 225758873 HZVYSYIFOBSCQI-IBGZPJMESA-N 381.545 4.868 0 40 GJAB C[C@H](NC(=S)Nc1nc(Cl)cc(Oc2ccccc2)n1)c1ccccc1 225964185 PZMJMNOIPYJRNS-ZDUSSCGKSA-N 384.892 4.970 0 40 GJAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccccc3C)sc2n1 408622510 QWHIOMRBASMGKO-UHFFFAOYSA-N 398.557 4.964 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)C3(c4ccc(Cl)cc4)CC3)co2)cc1 523277560 LNOAHYVAMLIXFP-UHFFFAOYSA-N 380.875 4.694 0 40 GJAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615153415 CUFYMEJTQPPHBZ-HSZRJFAPSA-N 399.510 4.909 0 40 GJAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3cc4ccccc4o3)coc2c1C 630475 SSYKBPDYQMJVGZ-AWEZNQCLSA-N 392.407 4.845 0 40 GJAB biogenic Cc1cccc2cc([C@H]3NC(=O)c4c(sc5c4CCCC5)N3)c(Cl)nc12 976990 QCLJDOOLALEFMA-SFHVURJKSA-N 383.904 4.991 0 40 GJAB Cc1ccccc1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363745 DYJMPTSVWJDVMU-MRXNPFEDSA-N 381.863 4.718 0 40 GJAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccccc1Cl 1364569 RUBOLWRIPWTWEL-UHFFFAOYSA-N 398.919 4.588 0 40 GJAB Cc1sc2nc(C3CC3)nc(SCC(=O)N3CCCCCC3)c2c1C 1377439 DGGGXCVTMQVUMP-UHFFFAOYSA-N 375.563 4.680 0 40 GJAB CCN1C(=O)c2cccc3c(NC(=O)c4ccccc4Br)ccc1c23 1510420 OJIKETXKPKAEDQ-UHFFFAOYSA-N 395.256 4.835 0 40 GJAB CCCCc1ccc(-c2csc3c2C(=O)N[C@H](c2cnn(C)c2C)N3)cc1 2772109 ZHWJHOXCGKDAMV-IBGZPJMESA-N 380.517 4.654 0 40 GJAB COc1ccc(-c2nsc(SCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 3007366 ALCOVOUJKFHJEB-UHFFFAOYSA-N 385.514 4.561 0 40 GJAB Cc1ccc(Cl)c(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c1Cl 3232154 JFRVKZPZFLYYIC-UHFFFAOYSA-N 386.662 4.680 0 40 GJAB COc1ccc(-c2nnc(SCc3cccc(Br)c3)o2)cc1 3364669 RIXVVVMXJBHCKC-UHFFFAOYSA-N 377.263 4.800 0 40 GJAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 4083475 UOGVUQZHAFLJIR-CKQYDNDDSA-N 391.511 4.603 0 40 GJAB biogenic O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccccc1Cl 4672611 IQTLJIGNTRNAPR-UHFFFAOYSA-N 393.826 4.595 0 40 GJAB O=C(Nc1ccccc1)N(Cc1nnc2n1CCCCC2)c1cccc(Cl)c1 5223347 DXOSBDUGHCGHPL-UHFFFAOYSA-N 395.894 4.897 0 40 GJAB Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 5498914 FNNXXBHNUHGBIP-UHFFFAOYSA-N 398.507 4.650 0 40 GJAB O=S(=O)(Nc1ccc(Br)cc1F)c1cc(Cl)ccc1Cl 5670751 NSYSRPNWGRKWGI-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Br)o1 6329875 NNNCYPMREVOZCB-UHFFFAOYSA-N 385.189 4.696 0 40 GJAB CNc1c(NC(=O)c2sc3ccccc3c2Cl)c(=O)oc2ccccc12 6823088 XJXXRFZYDVGSFM-UHFFFAOYSA-N 384.844 4.955 0 40 GJAB COc1ccc(-c2noc(CSCc3ccc(Cl)cc3)n2)c(OC)c1 6850453 BVCGFSSFQIWNBZ-UHFFFAOYSA-N 376.865 4.841 0 40 GJAB COc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 7035961 XMZREHLJXJGDOX-UHFFFAOYSA-N 395.842 4.597 0 40 GJAB CCOc1ccccc1NC(=O)c1ccccc1OCc1cn2ccccc2n1 7318875 RMWCTAKBSNIBRB-UHFFFAOYSA-N 387.439 4.564 0 40 GJAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cc(F)c(F)cc1Cl 7987725 WZROVHNQJBIJHF-UHFFFAOYSA-N 397.834 4.782 0 40 GJAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(NC(=O)c2ccco2)cc1 8312973 SUHAFHWHIIOYFQ-UHFFFAOYSA-N 395.465 4.969 0 40 GJAB CCCCCn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 8625530 IDHGDPMRAUBVJG-KRWDZBQOSA-N 377.488 4.756 0 40 GJAB CCOc1ccc(-c2nonc2NC(=O)COc2cc(C)ccc2C(C)C)cc1 8917160 GBRZHDDMTPUAAR-UHFFFAOYSA-N 395.459 4.585 0 40 GJAB CCCCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 9062171 WIKRLMYQVVEGCB-UHFFFAOYSA-N 380.473 4.586 0 40 GJAB CCOc1ccc(Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)cc1 9264705 CQWQBUQXUSEJJU-UHFFFAOYSA-N 387.892 4.858 0 40 GJAB CC(=O)Nc1ccc(NC(=O)C2(Cc3nc4ccccc4s3)CCCC2)cc1 9515050 MICWXFRNBFFIEB-UHFFFAOYSA-N 393.512 4.996 0 40 GJAB Cc1cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2c2c(C)cccc12 11903179 YNOQZNADEJSTEN-UHFFFAOYSA-N 396.903 4.884 0 40 GJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Br)cc1F 12807815 NPNDEUMTYFGQGT-UHFFFAOYSA-N 389.224 4.733 0 40 GJAB Cc1ccc(OCc2ccc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)o2)cc1 12849071 DRNKZDOHYOAIAE-UHFFFAOYSA-N 390.443 4.745 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c2c(C)c(C)sc2n1 12933109 KCGXOGYVOQPYAQ-WDBKCZKBSA-N 377.579 4.792 0 40 GJAB O=c1/c(=C\c2ccc(F)cc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 13756695 RGKFVGJAPPTHLG-HMMYKYKNSA-N 398.462 4.777 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14400693 GDQXJCABYUPHTL-ZDUSSCGKSA-N 389.879 4.830 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2nc(-c3cccs3)ns2)cc(C)c1Cl 15669647 CXISEPRAQJRMAE-LLVKDONJSA-N 393.921 4.943 0 40 GJAB COc1cccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)c1 19690428 QQGORJYZGCDKAZ-JOCHJYFZSA-N 388.515 4.555 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(OC(C)C)cc1 20112170 PSBMCPSXYDAQNS-QHCPKHFHSA-N 383.532 4.997 0 40 GJAB CCOC(=O)C1CCN(Cc2cnc(Oc3ccc(Cl)cc3C)s2)CC1 20218621 KNLGSVMFMBIPSG-UHFFFAOYSA-N 394.924 4.672 0 40 GJAB Cc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1NC(=O)c1ccco1 22323177 ZODXPECOZOUINJ-UHFFFAOYSA-N 376.456 4.891 0 40 GJAB O=C(CSc1ccncc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 27060062 DNDCVWYVWTVPEJ-GRJOEGEGSA-N 386.520 4.587 0 40 GJAB CCN(CC)[C@H](CNC(=O)COc1cc(C)cc(C)c1)c1ccccc1Cl 27579701 DTNDYBVBBMCKER-OAQYLSRUSA-N 388.939 4.535 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCCCCC1 27662746 FFZDOSOAGNJIII-SFHVURJKSA-N 376.953 4.678 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)NCCc1csc(-c2ccc(C)cc2)n1 27990431 SRGISRWJJMRRBI-IBGZPJMESA-N 398.503 4.774 0 40 GJAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1Cl 28220863 WMTWELPEQYKZNJ-HNNXBMFYSA-N 393.314 4.853 0 40 GJAB COc1cc(OC)c(OC)cc1/C=C(/CCC(=O)O)c1nc2ccccc2s1 33530706 NAYPUNSHGPNWDK-RAXLEYEMSA-N 399.468 4.728 0 40 GJAB O=C(c1cccs1)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 36708735 ZDLVOIRVIHHCDE-UHFFFAOYSA-N 393.434 4.669 0 40 GJAB O=C(NCCc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832940 QDTVOFFBUGKRQA-SFHVURJKSA-N 391.342 4.564 0 40 GJAB CN(C)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)c1 58133207 CCHXSJQOGAEKSD-UHFFFAOYSA-N 381.442 4.862 0 40 GJAB FC(F)(Cl)[C@](F)(Br)C(F)(F)[C@@](F)(Cl)Br 63148544 CNQPZAGOLNLMLO-VRKGVYIXSA-N 392.746 4.771 0 40 GJAB in-vitro Cc1cccc(C)c1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 67290131 VNDFDWRBBIAKAN-UHFFFAOYSA-N 394.525 4.805 0 40 GJAB O=C(COc1ccc(Cl)c2cccnc12)N[C@@H]1CCSc2ccccc21 84579031 XBMHUDHTIOJDTM-MRXNPFEDSA-N 384.888 4.620 0 40 GJAB Fc1cccc([C@@H](NCc2cncs2)c2cccc(Br)c2)c1 97019033 LZNBKIMBMFGOBJ-KRWDZBQOSA-N 377.282 4.924 0 40 GJAB FC(F)(Br)C(F)(F)CCOc1ccccc1Br 98210658 SMJILODGJVBFQF-UHFFFAOYSA-N 379.973 4.841 0 40 GJAB O=S(=O)(NCCSCc1ccccc1)c1ccc(Oc2ccccc2)cc1 216370354 HORJGMMFMBGCMW-UHFFFAOYSA-N 399.537 4.691 0 40 GJAB Cc1ccc(C)c([C@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)c1 218839533 DOYWMJZMHUAVBT-INIZCTEOSA-N 390.321 4.939 0 40 GJAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1CSc1ccc(Cl)cc1 224680287 WTUNYBXDQJEFJO-AWEZNQCLSA-N 393.936 4.796 0 40 GJAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1cccc(C(F)(F)F)c1 225739406 VVZYMGRBJDCZGR-AWEZNQCLSA-N 393.478 4.833 0 40 GJAB COc1cccc(NC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 225762714 STKRINSBACKHON-UHFFFAOYSA-N 380.419 4.735 0 40 GJAB COc1ccc(CNC(=S)c2ccc(OCc3ccc(F)cc3)cc2)cc1 408571679 CJCHXXQXVCCDFP-UHFFFAOYSA-N 381.472 4.879 0 40 GJAB Fc1ccc([C@H]2C[C@@H]2c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc1 538313299 KFESUESIAIVKNJ-UXHICEINSA-N 380.419 4.705 0 40 GJAB CCCc1nc(-c2cc(OC)ccc2OCc2ccccc2)ccc1C(=O)O 585265555 OBKQFQGQVBGQSF-UHFFFAOYSA-N 377.440 4.987 0 40 GJAB CCC1CCC(C(=O)N[C@H](CC(C)C)C(=O)N(CC(C)C)CC(C)C)CC1 1505840492 FBMFCVLHUUPBLE-XVAXZDLZSA-N 380.617 4.874 0 40 GJAB CC1CCN(c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2Cl)CC1 1351681 JSEGWWBJILYBTF-UHFFFAOYSA-N 396.874 4.935 0 40 GJAB CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1 1389667 INLBCHFPKWEPII-UHFFFAOYSA-N 380.662 4.859 0 40 GJAB O=C(NC(Cl)=C(Cl)Cl)Nc1c(F)cc(Br)cc1F 2158434 MMVNUDILVZMMFR-UHFFFAOYSA-N 380.403 4.692 0 40 GJAB Cc1ccc(-n2c(SCCN3CCCC3)nnc2-c2ccccc2)cc1C 2639001 RVDIISNDHDVOHE-UHFFFAOYSA-N 378.545 4.739 0 40 GJAB Clc1ccc(-c2nnn3c2nc(N2CCCCCC2)c2ccccc23)cc1 2688978 RAGNEUWUGIGPLK-UHFFFAOYSA-N 377.879 4.978 0 40 GJAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1c(Cl)cccc1Cl 3235444 NVEPDGVDYKUGAW-UHFFFAOYSA-N 376.598 4.581 0 40 GJAB O=S(=O)(Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1)c1cccs1 3356830 VGKJSDFOUDFDNV-UHFFFAOYSA-N 375.315 4.587 0 40 GJAB COc1ccccc1OCCCn1cc(C(=O)c2ccco2)c2ccccc21 3655976 TYDAAHDSGUMKMK-UHFFFAOYSA-N 375.424 4.943 0 40 GJAB COc1ccc(OC)c(C(=O)CSc2nc3ccc(OC)cc3cc2C)c1 4127553 WZKSMUDMLKWLCU-UHFFFAOYSA-N 383.469 4.544 0 40 GJAB Clc1cccc2sc(N3CCN(c4nc5ccccc5s4)CC3)nc12 4137853 AVXMEXBWCJGBLI-UHFFFAOYSA-N 386.933 4.886 0 40 GJAB COc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)cc1 4733651 DWNRRAMXMJYLNM-UHFFFAOYSA-N 387.439 4.833 0 40 GJAB C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 4744036 LIVJANRCEVGFOL-CQSZACIVSA-N 390.405 4.972 0 40 GJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 4849285 USAAHMGBDFPWII-UHFFFAOYSA-N 393.512 4.795 0 40 GJAB CCC(CC)C[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)CC 5063199 XQDQBYIIIBVIBX-QMHWCDLVSA-N 375.553 4.590 0 40 GJAB COc1ccc(CCC(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1 5077589 LVNTZPYCZLBKLT-UHFFFAOYSA-N 393.512 4.507 0 40 GJAB CCOc1cc(C(=O)Nc2ccccc2N2CCCC2)cc(OCC)c1OCC 5089905 OFJAQRNHXSNZLV-UHFFFAOYSA-N 398.503 4.735 0 40 GJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(COc3cccc(C)c3)o2)cc1 5293574 SSHMCLTZKOGRPS-OAHLLOKOSA-N 397.500 4.639 0 40 GJAB Cc1cc(OCC(=O)Nc2ccccc2Br)ccc1Br 5925301 GEOOJDBZJPPGSF-UHFFFAOYSA-N 399.082 4.538 0 40 GJAB CC(C)CCNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 6602336 HWCYGJQNQRFSGV-UHFFFAOYSA-N 390.593 4.784 0 40 GJAB CCc1cc(-c2n[nH]c(C)c2-c2nnc(-c3ccccc3)s2)c(O)cc1O 6648595 FRBSVXIBLBPBEZ-UHFFFAOYSA-N 378.457 4.544 0 40 GJAB CSc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccc2ccccc2c1 6908423 FSZBELTWKMOUBX-UHFFFAOYSA-N 380.494 4.785 0 40 GJAB CCCCc1ccc(NS(=O)(=O)c2ccc(OCC)c(OCC)c2)cc1 7360534 ADDPAKGKLCWCCP-UHFFFAOYSA-N 377.506 4.627 0 40 GJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)o2)cc1 8129222 WATVMSWOBWHESU-CYBMUJFWSA-N 393.468 4.898 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(Br)ccc1Cl 8244120 NYJCNGLPCWBWMA-UHFFFAOYSA-N 395.709 4.984 0 40 GJAB Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccc(C(=O)O)cc1 8446603 HMGAUNPDAMDQHH-NTCAYCPXSA-N 382.419 4.563 0 40 GJAB Cc1nc(SCC(=O)N[C@H]2CCCc3ccccc32)c2c(C)c(C)sc2n1 8756839 QMYYQLILAPLRJA-KRWDZBQOSA-N 397.569 4.902 0 40 GJAB COCCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c1cc(O)c1ccccc12 8783580 AJNTUIBPGAXCGO-UHFFFAOYSA-N 389.451 4.909 0 40 GJAB biogenic,in-vitro Cc1[nH]c2ccccc2c1C(=O)CSc1nc(O)cc(-c2ccccc2)n1 9698335 VGMXNOQFYLWFJJ-UHFFFAOYSA-N 375.453 4.614 0 40 GJAB O=C(NCc1ccccc1CN1CCCCC1)c1cccc(Cl)c1Cl 10281606 CWAKLTWEKNDZNU-UHFFFAOYSA-N 377.315 4.909 0 40 GJAB Cc1cc2cc(C(=O)Nc3ccc(CCC(=O)N4CCCC4)cc3)ccc2o1 12193198 ALBRENPCOAJIPK-UHFFFAOYSA-N 376.456 4.549 0 40 GJAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)C3CCCC3)cc2n1 12230122 RVUBHFFLBCEXGQ-MRXNPFEDSA-N 394.441 4.554 0 40 GJAB Cc1cc(C(=O)COC(=O)Cc2csc(-c3ccccc3)n2)c(C)n1C(C)C 12335485 ZNFZCLYUQBQNEW-UHFFFAOYSA-N 396.512 4.778 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)c1c[nH]c(=S)n1-c1ccccc1 12521979 VKUIJPSKBXDMBD-UHFFFAOYSA-N 378.284 4.772 0 40 GJAB Cc1cn2c(/C=C/C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c(C)nc2s1 12551864 WKLDBTNDBWWZMD-SOFGYWHQSA-N 395.484 4.706 0 40 GJAB O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccco1 12560058 ASPIUVPWBJPFDY-QGZVFWFLSA-N 385.345 4.694 0 40 GJAB COc1cccc(NC2=NN=C(c3ccc(NC(=O)CC(C)C)cc3)CS2)c1 12608556 CABZMLZSOARGBA-UHFFFAOYSA-N 396.516 4.599 0 40 GJAB O=C(Nc1cccc(Oc2ccccc2)c1)c1cccc(CN2CCCC2=O)c1 12793277 VHBDCXJOQLQYHO-UHFFFAOYSA-N 386.451 4.854 0 40 GJAB CSc1cccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 12854814 BORFGSDZOIYIIJ-LZGZYFLISA-N 398.572 4.554 0 40 GJAB CC(=O)c1ccc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1 12979176 AYTRMPZUAFGZRZ-UHFFFAOYSA-N 380.469 4.794 0 40 GJAB CCOc1ccc(CN(C)Cn2nc3c(Cl)cc(Cl)cn3c2=S)cc1 13073734 ZAMJQSFGUAFDOD-UHFFFAOYSA-N 397.331 4.660 0 40 GJAB C[C@@H](Sc1nnc(-c2ccc(O)cc2)o1)C(=O)Nc1cccc2ccccc12 13123840 BOAJDIRDEVEOGW-CYBMUJFWSA-N 391.452 4.715 0 40 GJAB Cc1nc(Sc2nnc(-c3cccnc3)o2)c2c3c(sc2n1)CCCCC3 14201327 PICYZOGVMOVXCT-UHFFFAOYSA-N 395.513 4.865 0 40 GJAB [O-][n+]1ccccc1Oc1nc(-c2cccnc2)nc2sc(-c3ccccc3)cc12 15170968 CHJNOHYDFCCLAH-UHFFFAOYSA-N 398.447 4.846 0 40 GJAB Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc(O)c2c(n1)CCCC2 16840793 WYSSLSZPUYDASR-UHFFFAOYSA-N 387.892 4.970 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3cccnc3)cc2n1 19452366 RYPDCGZMGCGPHG-QGZVFWFLSA-N 389.425 4.604 0 40 GJAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccccc1F)C3 19882469 YVIAWYMNGDHEAQ-UHFFFAOYSA-N 387.838 4.543 0 40 GJAB COc1cccc([C@@H](Nc2ncc(C(F)(F)F)cc2Cl)c2nccn2C)c1 21901640 MSRUZZNUKAMOLP-OAHLLOKOSA-N 396.800 4.697 0 40 GJAB COc1cc(OC)c(C2=CCN(C(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)CC2)c(OC)c1 22186234 FYPXXRAFUKYFSJ-AVRDEDQJSA-N 399.531 4.567 0 40 GJAB CCn1cnnc1-c1cccc(NC(=O)c2oc3ccccc3c2CSC)c1 24581242 VLUSBAKQGCFJGC-UHFFFAOYSA-N 392.484 4.827 0 40 GJAB CCN(CC)S(=O)(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 27019549 JPDFZZDWBRAKTE-UHFFFAOYSA-N 387.530 4.584 0 40 GJAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc2c(s1)CCCCCC2 30129193 GCJSTJWAKNWIAL-UHFFFAOYSA-N 382.529 4.782 0 40 GJAB C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(-c2ccccc2)cc1 32748020 DMQWIWXOWSYNGQ-LJQANCHMSA-N 398.506 4.967 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 32808957 WMBHZDWEXRFXHJ-OAHLLOKOSA-N 394.471 4.760 0 40 GJAB CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ccc(F)c(Cl)c2)cc1 40012673 GGJBKKXYJVWNQI-LBPRGKRZSA-N 379.884 4.521 0 40 GJAB Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)c(C)s1 40074297 WKCQCBBAQZBVLQ-FZKQIMNGSA-N 392.952 4.650 0 40 GJAB Cc1nc2sccn2c1CN(CCCn1ccnc1)Cc1ccccc1Cl 43277786 NOSPBVPEYXNNSK-UHFFFAOYSA-N 399.951 4.647 0 40 GJAB Cc1cccc(CN2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC2)c1 44918343 LWWPXBLBORNPLN-QFIPXVFZSA-N 392.543 4.626 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)c1 48262173 QEPHTPDDAHXGMT-HXUWFJFHSA-N 382.435 4.835 0 40 GJAB CC(C)(NCC(=O)Nc1ccccc1Br)c1ccc(Cl)cc1 58316756 JJVVDBIYXQAJCT-UHFFFAOYSA-N 381.701 4.566 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(-c2ccccc2)cc1 58843058 JFBQQJXFWBRJJH-NRFANRHFSA-N 375.472 4.905 0 40 GJAB COc1ccc2nc(NC(=O)c3cc(C)n(Cc4ccco4)c3C)sc2c1 60912425 FIWHDGDWKMOQAX-UHFFFAOYSA-N 381.457 4.617 0 40 GJAB CSc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)c1 64658251 GQKBKLOMYGLZIX-UHFFFAOYSA-N 395.553 4.889 0 40 GJAB COc1ccc(-c2nnc(SCC3(O)CCCCC3)n2-c2ccccc2)cc1 65168873 LWYOUZUBHLCQJF-UHFFFAOYSA-N 395.528 4.730 0 40 GJAB CC(=O)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215596 DGTFAKHVAGAEEH-LJQANCHMSA-N 387.524 4.839 0 40 GJAB Cn1ccnc1Sc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1 72232932 OQHKLDPEYKVNFH-UHFFFAOYSA-N 394.525 4.752 0 40 GJAB c1cncc(-c2nc(NCc3cccs3)ncc2-c2ccc3c(c2)OCO3)c1 72339483 PWJXSOFZQWNARB-UHFFFAOYSA-N 388.452 4.608 0 40 GJAB O=C(NC[C@@](O)(c1cccs1)C1CC1)C1(c2ccc(Cl)cc2)CCCC1 77099496 GTYHOGWPAHLQST-NRFANRHFSA-N 389.948 4.627 0 40 GJAB Cc1cc(C(=O)COc2cccc([C@@H](C)O)c2)c(C)n1CCc1cccs1 79016373 ZDLTWGSKYMIREJ-QGZVFWFLSA-N 383.513 4.724 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccccc2F)CC1 96625951 NQRIIRNJSGXCRB-UHFFFAOYSA-N 396.384 4.575 0 40 GJAB Cc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C(=O)Nc2ccccc2C)c1 100426152 QTMSEKCYYBAMSR-NHCUHLMSSA-N 391.515 4.651 0 40 GJAB COc1cccc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1 102751063 XSMSXGUNDRTNOU-KZULUSFZSA-N 394.456 4.769 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)CC(C)(C)O2 218934293 GIHKDYWJPKHSDY-HXUWFJFHSA-N 397.515 4.790 0 40 GJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1C(C)C 223322657 IHHYUAYTRAPPAZ-OAHLLOKOSA-N 395.952 4.961 0 40 GJAB Cc1ccc(C)c(OCCNC(=O)CSCc2ccc(Cl)cc2F)c1 224046989 QFFCUTGLTQEKNM-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Cl 225651721 SXEGFTSNXZFETC-UHFFFAOYSA-N 398.846 4.514 0 40 GJAB COc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1N 226303289 WUSYGEIHUDIDLF-UHFFFAOYSA-N 376.500 4.998 0 40 GJAB COC(=O)c1ccc(C)c2c1[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 248340239 UMNWMOJSCNBEMB-XSRHUSRXSA-N 391.467 4.776 0 40 GJAB Cc1noc2c1[C@@H]1OCC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@H]1C(C)(C)C2 257254068 KBKVNWVDWZEYTM-CRAIPNDOSA-N 390.524 4.660 0 40 GJAB O=C(Cc1ccccc1Cl)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390830426 LBIOOKPNRVMEKT-UHFFFAOYSA-N 399.844 4.569 0 40 GJAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 408627138 KOOLCMQBVBVPAF-AWEZNQCLSA-N 387.936 4.846 0 40 GJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1cccc(Cl)c1 408706351 FPTQIKVZOHYDIP-LJQANCHMSA-N 393.936 4.556 0 40 GJAB O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cccnc1C1CC1 622552038 GVFLJHBUWNHPGL-HNNXBMFYSA-N 390.314 4.665 0 40 GJAB Cc1cc(CNC(=O)c2ccccc2NC2CCCCC2)cc(N2CCCC2)n1 622606960 PJLDTGIGJDZAML-UHFFFAOYSA-N 392.547 4.665 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)N1CC[C@@H]2C[C@@H]2C1 666042441 BQSUOEBWBXJWPR-KCZVDYSFSA-N 389.499 4.538 0 40 GJAB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(F)cc1 881415 ZWTXCFGMPRAUJR-UHFFFAOYSA-N 391.427 4.761 0 40 GJAB CC(C)(C)[C@H]1CCc2nc3sc(C(=O)NCc4ccccc4)c(N)c3cc2C1 1102103 HAHKLASAYLQZBC-INIZCTEOSA-N 393.556 4.960 0 40 GJAB CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc(F)cc4)n3)ccc21 1366586 POHIWUZABIKBHF-UHFFFAOYSA-N 395.459 4.501 0 40 GJAB COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(F)cc3Cl)cc12 1812381 ZPZIOJIREDVXHU-UHFFFAOYSA-N 392.810 4.916 0 40 GJAB biogenic Cc1cc(C)c2oc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc(=O)c2c1 2205833 JNAZISWWCAMXSO-UHFFFAOYSA-N 387.435 4.845 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1ccccn1 2249123 ZBUNFRMQOGODPO-IBGZPJMESA-N 388.810 4.591 0 40 GJAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccccc1Cl 2328852 OEIJFUAVVLJDAF-JMUQELJHSA-N 399.918 4.857 0 40 GJAB C[C@H](O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 2974752 VLZQDMGFHMTCOW-AWEZNQCLSA-N 378.863 4.534 0 40 GJAB O=C(CSc1nnc(Nc2ccccc2)s1)N[C@H]1CCCc2ccccc21 3530644 BRFSOJRPFPRLGQ-KRWDZBQOSA-N 396.541 4.568 0 40 GJAB CCN(CC)CCCN(C(=O)C1CC1)c1nc(-c2ccc(Cl)cc2)cs1 4214940 NPVOFDLTTFTQME-UHFFFAOYSA-N 391.968 4.938 0 40 GJAB COc1cc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2cc1OC 4479913 VLSZCPRJBMZYJJ-UHFFFAOYSA-N 389.285 4.934 0 40 GJAB c1coc(-c2nnc(SCc3cn4ccccc4n3)n2C2CCCCC2)c1 4492688 OSZQFNCTLPEEKR-UHFFFAOYSA-N 379.489 4.983 0 40 GJAB COc1cccc(-c2cn3cc(-c4ccc(Br)cc4)n(C)c3n2)c1 4678160 IHCBJWVQOPPQQA-UHFFFAOYSA-N 382.261 4.778 0 40 GJAB Fc1ccc(N2CCN(C(=S)c3ccc(-c4ccccc4)cc3)CC2)cc1 4711229 UXQVZGNJUNLWNW-UHFFFAOYSA-N 376.500 4.990 0 40 GJAB CC(=O)Nc1ccc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc1 4801571 ODFGKWWMUXPKBF-UHFFFAOYSA-N 379.485 4.541 0 40 GJAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2COc2ccccc2)c1 5366505 ITIWHCHGIJMLFX-GOSISDBHSA-N 389.451 4.758 0 40 GJAB CSc1nc(C)c(CCC(=O)NC(c2ccccc2)c2ccccc2)c(C)n1 5404942 ZVFKROTVGLYGQI-UHFFFAOYSA-N 391.540 4.654 0 40 GJAB CCCCSc1nc(N[C@H](CC)CO)c2c3c(sc2n1)COC(C)(C)C3 5477684 QMPAUPFKLPTXEZ-GFCCVEGCSA-N 395.594 4.618 0 40 GJAB O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)[C@@H](c2ccccn2)N1 5600587 XWZKACZEXRUGNJ-HSZRJFAPSA-N 378.435 4.552 0 40 GJAB COC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C 6831971 RICAVHODDLDMJT-ZDUSSCGKSA-N 387.892 4.550 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(COC(=O)/C=C/c2cccs2)cs1 7549324 SBQCWBIIPYEXQG-MDZDMXLPSA-N 384.482 4.646 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)C(=O)[C@@H](C)Oc2cccc(C)c2)cc1 7737536 DZWOWIMYWITRNK-HXUWFJFHSA-N 388.511 4.949 0 40 GJAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(N2CCCCCC2)cc1 8192390 RTGZEFKEJDKRFF-UHFFFAOYSA-N 388.515 4.824 0 40 GJAB CC[C@@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)c1ccc(OC)cc1 9793270 RLDMYCWVESQPHQ-DENIHFKCSA-N 398.503 4.614 0 40 GJAB O=C1OC(c2ccco2)=N/C1=C\c1ccc(-c2ccc(Br)cc2)o1 13924506 CKNAEVJHFMSFAG-UVTDQMKNSA-N 384.185 4.647 0 40 GJAB CN(C)c1ccc(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)cc1 13956963 UUUKEQMPIMCHJW-UHFFFAOYSA-N 390.299 4.893 0 40 GJAB O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(CN2CCCCC2)cc1 14158074 WYPPDAWFZMWCQX-UHFFFAOYSA-N 391.342 4.952 0 40 GJAB Cc1noc2nc([C@@H]3CCCN(C(=O)c4ccccc4F)C3)cc(C(F)F)c12 19564153 UBHCDHNAAAOOQG-GFCCVEGCSA-N 389.377 4.628 0 40 GJAB Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 19666231 LFZMPWLGDHTZJD-GFCCVEGCSA-N 398.459 4.520 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2scnc2C)n1 19691309 ZRZRRWFIXLVPEV-LJQANCHMSA-N 381.476 4.938 0 40 GJAB O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1cccnc1Cl 20731999 ZWALGANQBIQWRE-UHFFFAOYSA-N 385.210 4.844 0 40 GJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(SCc2ccccc2)s1 21953679 YCSMYYBCIFNSPH-MRXNPFEDSA-N 385.514 4.627 0 40 GJAB CCc1ccc([C@@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCCC2)cc1 28292835 BVAGIJVAOYHDAN-XMMPIXPASA-N 394.559 4.705 0 40 GJAB O[C@@H](CNc1nc(-c2ccsc2)nc2ccccc12)c1ccc(F)c(F)c1 29588607 LPRKFVJBFRPOQV-SFHVURJKSA-N 383.423 4.782 0 40 GJAB COc1ccc2nc(C)c(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc2c1 29701415 JHQMFUDEZIKPRY-UHFFFAOYSA-N 376.243 4.693 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Nc1cnn(Cc2cccc(Cl)c2)c1 32611510 WRLIHUQTKMNRRR-UHFFFAOYSA-N 391.258 4.891 0 40 GJAB Cn1nc(C(F)(F)F)c(/C=C\C(=O)Oc2ccc(C(F)(F)F)cc2)c1Cl 33376524 UGEMOBDEQOOCIO-SREVYHEPSA-N 398.690 4.730 0 40 GJAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c1OC(C)C 36355070 BJESYOSYNAXFAC-OAHLLOKOSA-N 395.434 4.931 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 36615433 CAZNEMORAWJZOJ-AWEZNQCLSA-N 386.732 4.630 0 40 GJAB O=C(Nc1cccs1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 42380436 XPBHDZLEVUKFJL-LBPRGKRZSA-N 388.493 4.817 0 40 GJAB CC(=O)Nc1ccc(SCC[S@@](=O)c2cc(Cl)ccc2Cl)cc1 42570952 RPRVUHDZBMIYRZ-QHCPKHFHSA-N 388.341 4.852 0 40 GJAB Clc1ccccc1-c1nnc2sc(-c3ccccc3Br)nn12 45208959 UOOJHQLCANKZLJ-UHFFFAOYSA-N 391.681 4.936 0 40 GJAB CCN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1cccc2ccccc12 48366407 DQWMCRCYXFGYPM-UHFFFAOYSA-N 387.888 4.563 0 40 GJAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)c(C)c1 58009541 TYVSCWSMOMXXTG-SJORKVTESA-N 384.545 4.784 0 40 GJAB CN(C)Cc1ccc(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 58223297 WKSGCIZCBKIMQA-LSCLNCKRSA-N 396.534 4.775 0 40 GJAB Cc1cccc(NC(=O)NC(C)C)c1NC(=O)c1ccc(OC(F)(F)F)cc1 66091326 DJWSONHTAVRYNP-UHFFFAOYSA-N 395.381 4.676 0 40 GJAB COC(=O)c1ccccc1NC(=O)/C=C/c1cc2cc(Cl)cc(OC)c2o1 67339984 XAAFRKRQZNXOFV-BQYQJAHWSA-N 385.803 4.533 0 40 GJAB CCn1c(CNC(=O)c2cccnc2Sc2ccccc2)nc2ccccc21 70009957 KCXMXGBHFBBHLQ-UHFFFAOYSA-N 388.496 4.532 0 40 GJAB Cc1ccc(-c2csc3ncnc(N4CCC[C@@H](c5ccn[nH]5)C4)c23)cc1 71811751 HRFFRHILYXISHK-MRXNPFEDSA-N 375.501 4.774 0 40 GJAB Nc1c(Cl)cc(NC(=O)c2cnc3c(cnn3C3CCCC3)c2)cc1Cl 84335079 VLXHUYXWIKCDJE-UHFFFAOYSA-N 390.274 4.688 0 40 GJAB O=c1c(C(F)(F)F)cc(C2CC2)nn1CCOc1c(Cl)cccc1Cl 84339079 MTRAUNFDFYRIFQ-UHFFFAOYSA-N 393.192 4.525 0 40 GJAB Cc1c(CNC(=O)Nc2cccs2)sc2nc(-c3ccc(F)cc3)cn12 90593874 XSVQYUWFOQPPAF-UHFFFAOYSA-N 386.477 4.894 0 40 GJAB CN1CCC(NCC[C@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)CC1 97730302 YPUZXMABKRRKDF-NRFANRHFSA-N 398.513 4.606 0 40 GJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(O)c1 101996678 MSMNYVHIMRGVNV-NVPYSNMXSA-N 395.458 4.635 0 40 GJAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)CCC[C@H]1C 102252940 ZZFHFFUXAZDPBV-WWMYMODYSA-N 381.472 4.577 0 40 GJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(OC)c(OC)c1 222857071 ZVVBZISQKLUQTJ-KDOFPFPSSA-N 391.895 4.700 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 222904975 LWWSWOPXAUEFSV-GJZGRUSLSA-N 396.379 4.534 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 223000624 FIQVETFWGAMXIK-RTWAWAEBSA-N 397.515 4.888 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1C 223942891 LTRPJCXLTWTAMH-OALUTQOASA-N 381.516 4.533 0 40 GJAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2ccc(C)cc2)c1 224128030 ZTMGOBLQCPTRMU-UHFFFAOYSA-N 391.467 4.521 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COCc1ccccc1 224461677 QNYVGPUUYHMBBP-UHFFFAOYSA-N 377.440 4.673 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCCC1 224875243 PRIIHKPLCIPGLY-AWEZNQCLSA-N 399.362 4.960 0 40 GJAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(F)c1 225115562 IFHGZCJLOVMLFB-UHFFFAOYSA-N 385.460 4.717 0 40 GJAB CC[C@H](C)NC(=O)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257198043 RGLSWUIPCVIZSR-INIZCTEOSA-N 387.470 4.886 0 40 GJAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(C(=O)CC3CCCCC3)C2)n1 257338130 YWAMJVQHPCMOCE-KRWDZBQOSA-N 399.564 4.580 0 40 GJAB Cc1ccc(-n2ncc3c(N)c4c(nc32)C[C@@H](c2ccccc2)CC4=O)cc1C 618257139 SATGZONYYFYUET-QGZVFWFLSA-N 382.467 4.532 0 40 GJAB Cn1ncc(C2CCC2)c1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 622772243 JDAXDHAJGWFZSI-UHFFFAOYSA-N 378.457 4.810 0 40 GJAB CCOc1ccccc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615158383 MJLPZUUGNJTHQX-UTKZUKDTSA-N 396.506 4.744 0 40 GJAB CCC(C)(C)[C@@H]1CCc2nc(NC(=O)c3cc(-c4ccco4)[nH]n3)sc2C1 1627150702 NXYZABARFOOGGL-GFCCVEGCSA-N 384.505 4.920 0 40 GJAB Cc1cc2nc(-c3ccc(SCC(=O)N4CCCC[C@H]4C)nc3)[nH]c2cc1C 1329679 TUBRROYCCAQIKQ-MRXNPFEDSA-N 394.544 4.735 0 40 GJAB Cc1ccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)O)cc1 2273550 GQKWOVRPDLDPNW-BBITVKMKSA-N 383.447 4.542 0 40 GJAB Cc1ccc(CN(C[C@@H](O)COc2cccc3[nH]cc(C)c23)C(C)(C)C)cc1 2450149 PPLUXYKPQIWXFT-HXUWFJFHSA-N 380.532 4.825 0 40 GJAB O=S1(=O)c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 2502952 SZHLPGLUPQWROW-HXUWFJFHSA-N 384.888 4.655 0 40 GJAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)s1 2658019 BKNCKGHXJDIWPH-UHFFFAOYSA-N 376.208 4.875 0 40 GJAB O=C(CSc1nccn1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 2723007 DOVVMFALEPCWMH-UHFFFAOYSA-N 378.284 4.910 0 40 GJAB CCOc1ccc(C(=O)Nc2nc3c(Br)cccc3s2)cc1 4348613 WROUBGBGZAEZRI-UHFFFAOYSA-N 377.263 4.710 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 4947747 KFOVINAOVKFKSP-OSAQELSMSA-N 388.291 4.549 0 40 GJAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C(C)C)cc2)NC(=S)N1 5193604 DHCZPOCKUNBTKZ-FQEVSTJZSA-N 379.529 4.550 0 40 GJAB C[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NC1CCCC1 5288017 SHLYGCIVLZYRHS-CYBMUJFWSA-N 383.542 4.898 0 40 GJAB O=C(CSc1nc2cc(Br)cnc2[nH]1)c1ccc2ccccc2c1 5454443 LEQQPPWPQLQSCT-UHFFFAOYSA-N 398.285 4.849 0 40 GJAB O=S(=O)(/C(=C/c1ccccc1F)c1nc2ccccc2[nH]1)c1ccccc1 5695945 DKRQNJGUADNBDG-XSFVSMFZSA-N 378.428 4.674 0 40 GJAB CCOc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(Cl)cc1)=N2 6090217 CGOIIIASWJFZQE-UHFFFAOYSA-N 376.847 4.568 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)ccc1Cl 6267711 IOEMLPMURQCCNY-JTQLQIEISA-N 386.648 4.956 0 40 GJAB CCCCc1ccc(Nc2nnc(SCC(=O)NC3CCCC3)s2)cc1 6650622 MTVDCGQBGGMDSH-UHFFFAOYSA-N 390.578 4.775 0 40 GJAB Cc1c(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc2n1C 6959686 YSRXJIFBIBIXGM-ODLFYWEKSA-N 380.444 4.862 0 40 GJAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H]1c1cccs1 7310031 JFGAUSYTAVCJHW-LBPRGKRZSA-N 395.855 4.946 0 40 GJAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)o1)c1ccc2c(c1)CCCC2 7828167 QRIWRUYXMHZPIP-HNNXBMFYSA-N 393.512 4.585 0 40 GJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cccc(Cl)c2C)CC1=O 7928207 HDNMCBBTNUPXRF-QGZVFWFLSA-N 384.907 4.765 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3cncn3-c3ccc(F)cc3)c2)cs1 8135617 BQABTOOYSWTTBR-UHFFFAOYSA-N 378.432 4.696 0 40 GJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1ccc(F)c(F)c1 8230491 LOOPAHINYZTKLQ-GFCCVEGCSA-N 385.439 4.786 0 40 GJAB Cc1cccc2c(C(=O)NC[C@@H]3CCCO3)cc(-c3ccc(Cl)cc3)nc12 8471972 RQGXPNGHLJPSLC-KRWDZBQOSA-N 380.875 4.772 0 40 GJAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2C)cc1 9272381 ZYQATGLPLWRXMI-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C)Cc1c[nH]c2ccccc12 12409250 TYIXRLARILIRCW-CQSZACIVSA-N 375.497 4.961 0 40 GJAB N[C@H](Cc1ccccc1)c1nnc(SCc2c(Cl)cccc2Cl)o1 12418162 WCXHOKYYRNPCHX-OAHLLOKOSA-N 380.300 4.911 0 40 GJAB Cc1cc(NC(=O)CC2CCCC2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12441984 ZKUJAAMCIHGZMH-UHFFFAOYSA-N 384.480 4.962 0 40 GJAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccco3)n2)cc1 12442193 DCDWKIKJVDZGLF-UHFFFAOYSA-N 394.456 4.548 0 40 GJAB Cc1ccc2cc(COC(=O)c3cccnc3N3CCCC3)c(Cl)nc2c1C 12913203 ACCWYGOBDHWRSI-UHFFFAOYSA-N 395.890 4.857 0 40 GJAB O=C(Nc1ncc(Cc2ccccc2Br)s1)c1cccs1 12999191 OUFUZWXIJNTAKT-UHFFFAOYSA-N 379.304 4.810 0 40 GJAB Cc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1C 13552812 SBWVOUGBQJFIDL-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(-c2ccncc2)nc2ccccc12 14410538 ZKRDGVCAIUWULA-UHFFFAOYSA-N 397.434 4.710 0 40 GJAB CCCc1ncc(CN[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccc(OC)c(OC)c2)cn1 19525790 HJGQSRSVIWCOGO-GABIRTJKSA-N 395.547 4.508 0 40 GJAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(OC)cc1 20493964 MPXNIGBHWUTRFP-QGZVFWFLSA-N 388.316 4.573 0 40 GJAB COc1cccc(CCC(=O)Nc2ccc(SCc3cccnc3)cc2)c1 22061370 BDOVRVNOIXTNJC-UHFFFAOYSA-N 378.497 4.954 0 40 GJAB Cc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22907711 RCAOVTMZVYKBMC-NRFANRHFSA-N 376.525 4.586 0 40 GJAB Cc1c([C@H](C)NC(=O)c2ccc(F)cc2)cnn1-c1cccc(C(F)(F)F)c1 24753182 UORVAQNVWWCYNV-LBPRGKRZSA-N 391.368 4.830 0 40 GJAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3Cl)c2)o1 29884912 KKQHUMVPIQXLHI-KDOFPFPSSA-N 383.879 4.573 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 30850725 FGCKNNNGFULVSJ-MDZRGWNJSA-N 383.001 4.695 0 40 GJAB COC(=O)c1c(NC(=O)c2cccs2)sc(C)c1-c1ccc(F)cc1 32611293 GPBUSXURXCVCLZ-UHFFFAOYSA-N 375.446 4.963 0 40 GJAB CCc1nc(C)c2c(C)c(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3)sc2n1 32903162 MZJWBDVCZZRNEK-QGZVFWFLSA-N 395.528 4.856 0 40 GJAB O=C(c1sc(=S)n2c1nc(O)c1cc(Cl)ccc12)N1CCCCCC1 32946422 RONPGYBOUJHLOD-UHFFFAOYSA-N 393.921 4.654 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 35290369 AWBSRBGPJQQNIE-UHFFFAOYSA-N 388.393 4.993 0 40 GJAB Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)NC2CCCCC2)[nH]n1 38651919 QFEFBLBZDSCAEI-UHFFFAOYSA-N 384.480 4.710 0 40 GJAB O=C(NCC1CCN(C2CCCC2)CC1)NC(c1ccccc1)c1ccccc1 38674587 UDAGFUGFZXNRHP-UHFFFAOYSA-N 391.559 4.730 0 40 GJAB O=C(O)C/C(=C/c1cc(Cl)c2c(c1)OCCO2)c1nc2ccccc2s1 39969524 FENJHQKTZRHWQQ-GHXNOFRVSA-N 387.844 4.736 0 40 GJAB Cc1cc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2C)c2ccccc2n1 41097175 KHJYSWBSXXHTPC-UHFFFAOYSA-N 382.268 4.926 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1Cl 44843001 ADISKCCXYWLUHV-LBPRGKRZSA-N 393.892 4.645 0 40 GJAB CCCCc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)s1 48299592 DIFQFTLBQXMOID-KRWDZBQOSA-N 388.533 4.789 0 40 GJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCN(CC2CCCC2)CC1 58390500 OGUHJDGMARMJOP-QGZVFWFLSA-N 383.536 4.790 0 40 GJAB CC(C)(C)NC(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 66016449 PIALCXGZNRMDFM-UHFFFAOYSA-N 394.471 4.509 0 40 GJAB CCc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1 67293199 MTSNKKZFRRCPGJ-BZZOAKBMSA-N 385.423 4.581 0 40 GJAB Cc1ccccc1Cc1cccc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 72349005 NQNRLMKGQBYERB-UHFFFAOYSA-N 384.523 4.930 0 40 GJAB C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)NCCCOC1CCCCC1 84718132 IXVBJVTXMJNRGH-SFHVURJKSA-N 396.531 4.700 0 40 GJAB CC(C)n1cc(CCCC(=O)NC[C@H]2CCCN3CCCC[C@H]23)c2ccccc21 96343597 GNZVPDSPCKPLRR-NFBKMPQASA-N 395.591 4.926 0 40 GJAB CCn1c(Cl)nc2cc(C(=O)N(C)Cc3cccn3-c3ccccc3)ccc21 222559322 BEKYVSCFCNLCHG-UHFFFAOYSA-N 392.890 4.773 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223347933 ASHXKULNLUCWHI-IBGZPJMESA-N 395.543 4.871 0 40 GJAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)c(C)c1 224913708 BQXBQRYYZJOTGE-UXHICEINSA-N 380.492 4.528 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225623036 NBYZTEJFSXBZJX-CVDCTZTESA-N 390.568 4.864 0 40 GJAB CCCCOc1ncc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C 225873322 WTQHCIOQXNIKNC-UHFFFAOYSA-N 382.504 4.564 0 40 GJAB Nc1nnc(-c2cc(Cl)c(OCc3ccc(F)cc3Cl)c(Cl)c2)o1 226321788 QHNBKQQJUXDJTI-UHFFFAOYSA-N 388.613 4.997 0 40 GJAB Cc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3c3cnn(C)c3)cs2)c(C)c1 585081237 SKEPMNUPVUFNCW-LJQANCHMSA-N 380.517 4.528 0 40 GJAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccc(OC(F)(F)F)cc1 585147751 YLVJWYYWPVWQCJ-AWEZNQCLSA-N 381.375 4.802 0 40 GJAB CO[C@H](c1nc(-c2ccc(Oc3ccc(F)c(F)c3)cc2)no1)[C@H]1CCOC1 1548453529 MBLVAZNAXOFIJW-UGSOOPFHSA-N 388.370 4.531 0 40 GJAB Cc1ccc(CC(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)cc1 1615121206 NHRXAWXBDYPTKE-XMMPIXPASA-N 380.507 4.727 0 40 GJAB Cc1ccccc1CC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615160935 UTCTYIZSSTWDAO-KNQAVFIVSA-N 380.507 4.583 0 40 GJAB COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OC(=O)C(C)C 804889 OIHPEKGZYMNSJC-SFHVURJKSA-N 389.451 4.884 0 40 GJAB Cn1nc(C(F)(F)F)c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1Cl 2243755 VTPCSSJCCWHPJP-UHFFFAOYSA-N 396.678 4.828 0 40 GJAB COc1cccc(C(=O)Nc2nn(CC(C)C)c3nc4c(C)cccc4cc23)c1 2429024 KCJSMJIBRZOJMC-UHFFFAOYSA-N 388.471 4.810 0 40 GJAB Cc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3ccc(F)cc3c2=O)cc1 2689914 CSGWJOIDKMVFHQ-UHFFFAOYSA-N 389.401 4.867 0 40 GJAB COc1ccccc1CC(=O)Nc1ccc(-c2noc(-c3cccs3)n2)cc1 2931028 ABSFELDTTNHOFD-UHFFFAOYSA-N 391.452 4.655 0 40 GJAB CS(=O)(=O)c1ccc2nc(Nc3nc4ccc(Cl)cc4s3)sc2c1 4137802 CNYQNRRYFJXMDT-UHFFFAOYSA-N 395.918 4.707 0 40 GJAB COC(=O)c1c(NC(=O)c2ccc(Cc3ccccc3)cc2)sc(C)c1C 4570484 MYUWGOOFKHUOSK-UHFFFAOYSA-N 379.481 4.995 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cc(Cl)ccc2O)[nH]n1 5342294 MVBYMEOBQMIYCN-UHFFFAOYSA-N 381.741 4.707 0 40 GJAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccc(Cl)c4)c3)nn12 6169058 PEZORLBPVUJEQH-UHFFFAOYSA-N 397.891 4.629 0 40 GJAB CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1ccccc1 6235309 QRSLZKCIBKEAMK-UHFFFAOYSA-N 386.860 4.684 0 40 GJAB S=c1nc(-c2ccccc2)n(C[C@@H]2COc3ccccc3O2)c2c1CCCC2 6476013 NQQVYPMBZHYUKJ-QGZVFWFLSA-N 390.508 4.998 0 40 GJAB C[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccs1 6657545 BDSGNHUUVZUWSG-INIZCTEOSA-N 391.496 4.554 0 40 GJAB O=C(CSc1c(Cl)cccc1Cl)N1CCN(c2ccccc2F)CC1 7096662 AMWZDURGJRFKKS-UHFFFAOYSA-N 399.318 4.573 0 40 GJAB biogenic CCOc1cccc(CNCc2ccc(OC)cc2)c1OCc1ccccc1 7539520 XRYWSQATVLROBP-UHFFFAOYSA-N 377.484 4.963 0 40 GJAB COc1ccc(-c2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)cc1OC 8718982 WCWAPYNZXOQCJJ-UHFFFAOYSA-N 396.512 4.563 0 40 GJAB O=C(CCC1CCCC1)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 9038236 GTXBCNRPTUTJPO-UHFFFAOYSA-N 376.500 4.794 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C 9164690 KYKPDDQFKYQMBV-UHFFFAOYSA-N 380.488 4.663 0 40 GJAB O=C(Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NCc1cccnc1 9523618 IZWQWGVUCLZFRR-UHFFFAOYSA-N 389.886 4.597 0 40 GJAB Cc1cn2c(/C=C3\N=C(c4ccc(C(C)(C)C)cc4)OC3=O)c(C)nc2s1 12595565 BZZMRSATCMCQJT-YBEGLDIGSA-N 379.485 4.655 0 40 GJAB CC(C)(C)C(=O)NCCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 12850134 ZUSLNUHIHIHCKD-UHFFFAOYSA-N 397.500 4.580 0 40 GJAB Cc1c(NC(=O)c2ccccc2F)cccc1C(=O)N1CCc2sccc2C1 12890469 JBMGRCNUQQHTED-UHFFFAOYSA-N 394.471 4.646 0 40 GJAB Brc1ccc(-c2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)cc1 13692296 DNEITSAAKIELBW-UHFFFAOYSA-N 396.273 4.764 0 40 GJAB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1 13763707 WVZJQYXTNVWQNM-SXGWCWSVSA-N 392.263 4.913 0 40 GJAB CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@H](NC(=O)c2ccco2)C1 13992444 HWKDRISXAMIFQW-QGZVFWFLSA-N 383.879 4.621 0 40 GJAB O=C(COc1ccc(Cl)cc1)N1N=C(c2cccs2)C[C@H]1c1ccco1 15355315 RHIOIIZELOYDJQ-INIZCTEOSA-N 386.860 4.751 0 40 GJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cc2c(cc1Cl)OCO2 16477725 JGAXFZHQHAQCEG-UHFFFAOYSA-N 390.823 4.892 0 40 GJAB Oc1nc(Nc2ccc(Nc3ccccc3)cc2)nnc1Cc1ccc(F)cc1 16777475 JPXKAXKNELYUQK-UHFFFAOYSA-N 387.418 4.794 0 40 GJAB Cc1ccc(-c2nnc([C@H]3CCCN(Cc4ccc(F)c(F)c4)C3)o2)s1 19217613 ABKPAUJLIKVBML-AWEZNQCLSA-N 375.444 4.764 0 40 GJAB FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCNC3)n2)cc1 19332591 IUVRKANPQLYVDC-HNNXBMFYSA-N 399.420 4.768 0 40 GJAB CNC1CCC2(CC1)CN(Cc1cccc(OC(C)C)c1)Cc1ccccc1O2 19450913 IYOIZLNTBIMGHB-UHFFFAOYSA-N 394.559 4.769 0 40 GJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577134 IBZYTCQNJVAEIQ-UHFFFAOYSA-N 385.508 4.560 0 40 GJAB CN(Cc1cc(=O)n2c(-c3ccccc3)csc2n1)Cc1ccccc1Cl 21920884 CKUIJMWWPDDUOG-UHFFFAOYSA-N 395.915 4.708 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 29849549 DCNPHTRFGHKZOA-JOCHJYFZSA-N 381.431 4.581 0 40 GJAB Cc1ccccc1NC(=O)Nc1nnc(-c2ccc(Br)cc2)s1 32502447 AVZQRQFRPBDXCO-UHFFFAOYSA-N 389.278 4.920 0 40 GJAB COc1cc([C@@H](C)NC(=O)Nc2ccc(C(C)=O)cc2)ccc1OCC(C)C 32831196 RAOUGTPZXFEQGD-OAHLLOKOSA-N 384.476 4.815 0 40 GJAB COc1ccc(-c2nc(NC(=O)COc3ccc(C)cc3C)sc2C)cc1 32981871 NDPKXXZBHOZHLC-UHFFFAOYSA-N 382.485 4.761 0 40 GJAB Cc1cccc(NC(=O)COc2ccccc2-c2noc(-c3cccs3)n2)c1 33324998 MOFGSWKJBDHSFQ-UHFFFAOYSA-N 391.452 4.791 0 40 GJAB O=C(COc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1)Nc1ccccc1 33327499 RXFYZSIMAZPQEA-CCEZHUSRSA-N 397.434 4.925 0 40 GJAB CCn1ncc(-c2cc(C(F)(F)F)nc(NCc3ccccc3Cl)n2)c1C 36614017 AOOODAGVDUOQBG-UHFFFAOYSA-N 395.816 4.953 0 40 GJAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccccc1CN1CCCC1 43729472 JLRFFIWUJYMZBJ-UHFFFAOYSA-N 391.342 4.838 0 40 GJAB O=C(CSCc1cccc(Br)c1)NC12CC3CC(CC(C3)C1)C2 58014158 AZGMREGUDLFBKS-UHFFFAOYSA-N 394.378 4.767 0 40 GJAB Cc1cc(SCC(=O)Nc2ccc(Cl)cc2)nc(-c2cccc(F)c2)n1 67257385 FVVRYOGDQXJOSS-UHFFFAOYSA-N 387.867 4.975 0 40 GJAB O=C(NCc1csc(C2CC2)n1)N[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 69957687 GPSXTHQRXXUDLF-TZMCWYRMSA-N 382.316 4.683 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2Oc2ccccc2)cc1 72212208 BBWOGIHGQHQOGA-OAQYLSRUSA-N 394.496 4.708 0 40 GJAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2ccc(F)cc2)C1 72358386 WVPDJPDOEZMFIH-GOSISDBHSA-N 377.463 4.671 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C)cn2)C12CCCC2 79479908 FUDVRPJCORBFFH-UWJYYQICSA-N 391.515 4.679 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 89589071 QTUMFTAMUVYXMM-SNVBAGLBSA-N 378.910 4.831 0 40 GJAB CC[C@@H](NC(=O)Nc1ccc(N(C)C)cc1C)c1nc(-c2ccccc2)c[nH]1 95460861 IVZAZMZYDVGPCU-GOSISDBHSA-N 377.492 4.724 0 40 GJAB O=C(c1ccccc1)C1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC1 97101138 WYAYZVSLZCSRNV-UHFFFAOYSA-N 378.259 4.515 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@@H](CC)C2 100631277 JZDDWFWBEDLKSG-KQTLUZQSSA-N 375.534 4.814 0 40 GJAB CCCC[Sn](CCCC)(CCCC)c1ccnnc1OC 203648256 OXBMCRDDEJUMFC-UHFFFAOYSA-N 399.167 4.541 0 40 GJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)s1 223883028 XQKNQCKAVSEXSS-WOJBJXKFSA-N 394.569 4.695 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1cc(C)ccc1C 224043153 JKSBLSDISGJRLR-OAQYLSRUSA-N 383.532 4.954 0 40 GJAB CCCNC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224948450 YLUKOGBQBJKPOZ-UHFFFAOYSA-N 385.261 4.911 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225066813 AZQDTRRDLJDECN-SFHVURJKSA-N 398.528 4.694 0 40 GJAB CCCSc1nnc(NC(=O)CCc2ccc(Cl)c(Cl)c2)s1 225341461 GJKGOGSPVZIFMU-UHFFFAOYSA-N 376.334 4.918 0 40 GJAB CCOCCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C 225867276 JWOPUILXWNZARP-UHFFFAOYSA-N 396.531 4.954 0 40 GJAB CCCC(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2cc(C)no2)CC1 257253106 JXOXDXIZKOPPHC-QAQDUYKDSA-N 384.524 4.754 0 40 GJAB CNC(=O)COc1cccc2c1[C@@H]1O[C@H](C)CC[C@H]1[C@](C)(CCCC(C)C)O2 257281494 OPMBDSNMJHNYSY-UOGRCSNTSA-N 389.536 4.645 0 40 GJAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 408818669 QAFZRULGAMBOLK-UHFFFAOYSA-N 382.896 4.903 0 40 GJAB C[C@H](NC(=O)C[C@@H]1CCC[C@@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 504253448 ZRUVWWVAUWBSDR-FGTMMUONSA-N 379.504 4.728 0 40 GJAB CCC[C@]1(CO)CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1 585085081 DCSBVSCGNWTNQJ-SFHVURJKSA-N 399.343 4.742 0 40 GJAB CCOC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 1187939018 RMUPPHKRWOWFPC-UHFFFAOYSA-N 394.418 4.759 0 40 GJAB FC(F)(F)c1csc(N2CCC(COc3ccncc3Cl)CC2)n1 1889111307 CVYORLFLUYYYMG-UHFFFAOYSA-N 377.819 4.506 0 40 GJAB CCCc1nc(SCC(=O)N2CCc3ccccc32)c2c(C)c(C)sc2n1 1372195 QFMIYCXBQVCRJX-UHFFFAOYSA-N 397.569 4.942 0 40 GJAB Cc1ccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2cccs2)cc1 1377778 HQFPUAJGLRNHNO-OALUTQOASA-N 385.602 4.929 0 40 GJAB COc1ccc(-c2oc(=O)n(Cc3ccccc3)c2-c2ccc(OC)cc2)cc1 1423024 DZZLJWRVMAOCOS-UHFFFAOYSA-N 387.435 4.841 0 40 GJAB O=C(Nc1cccc2ccccc12)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 1438072 UVDISNIDPDXWNT-UHFFFAOYSA-N 392.414 4.893 0 40 GJAB Cc1cccc(CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)c1 2719965 AZWQBUGHCDBDDE-UHFFFAOYSA-N 384.501 4.621 0 40 GJAB COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CC(C)C 2751654 YCQDAVBCZNMHCN-UHFFFAOYSA-N 396.306 4.949 0 40 GJAB COc1ccccc1-c1cc(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1 2763643 VTLZPQHWSGAEIH-UHFFFAOYSA-N 398.418 4.891 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1OCC 3452898 ZNEMFEJNLWEMKN-ZDUSSCGKSA-N 381.394 4.994 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1 4036402 SYXKZDHOAFHMGG-UHFFFAOYSA-N 395.509 4.776 0 40 GJAB COc1ccc(C(=O)NCC[C@@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 4044843 OVEJXWIQAFPTFM-UNMCSNQZSA-N 381.516 4.804 0 40 GJAB biogenic O=C(C[C@H](Sc1ccc(Br)cc1)C(=O)O)c1ccc(Cl)cc1 4118558 VXTHNDXOCYFEOY-HNNXBMFYSA-N 399.693 4.921 0 40 GJAB CCCCCCc1cc2cc(C(=O)Nc3ccc(OC)cc3)c(=O)oc2cc1O 4575982 MKWPTNMBLVSAEB-UHFFFAOYSA-N 395.455 4.882 0 40 GJAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-n2nnc3ccccc32)n1 4881560 ONDMNYYVSZUWIV-UHFFFAOYSA-N 375.741 4.550 0 40 GJAB Cc1sc2nc([C@H](C)Oc3ccc(Br)cc3F)[nH]c(=O)c2c1C 5173717 WKLRSVLQCQYCHC-QMMMGPOBSA-N 397.269 4.643 0 40 GJAB COc1ccc([C@@H](CCNCc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 5500474 DOBPIMCXQMEFQY-QFIPXVFZSA-N 393.458 4.875 0 40 GJAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3cccs3)n2)cc1 5636003 YSLMMZXIJXFMKH-LBPRGKRZSA-N 386.498 4.618 0 40 GJAB Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1 6140461 KWLFQGIFVQGYCU-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1cccc(Cl)c1Cl 6567147 DJGGESORERPMRC-JTQLQIEISA-N 380.300 4.999 0 40 GJAB Cc1ccccc1COc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 6678680 HNEYYCUGRIDJQP-YWZLYKJASA-N 393.512 4.769 0 40 GJAB Cc1ccc(-c2noc(CN(C(=O)[C@@H](C)Oc3cccc(C)c3)C(C)C)n2)cc1 6812336 SURRQYCKGHAIEB-GOSISDBHSA-N 393.487 4.558 0 40 GJAB CCCN1C(=O)S[C@@H](Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 6879227 AMFBANLQSDBTQE-FQEVSTJZSA-N 399.512 4.599 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 7159075 MLIVWBIXKBKXMJ-NCJOGADSSA-N 391.559 4.883 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)NCc3ccc(Cl)cc3Cl)n2)cc1 7955301 KSOJRQLUTDCROL-UHFFFAOYSA-N 390.270 4.601 0 40 GJAB c1ccc2cc(-c3cc(-c4nc(-c5ccc6c(c5)OCO6)no4)[nH]n3)ccc2c1 7998482 QLVALHZMACORPY-UHFFFAOYSA-N 382.379 4.676 0 40 GJAB O=C(CSc1ccccc1F)Nc1ccc(-c2cn3ccsc3n2)cc1 8230934 AAJBEDKMBRWYQN-UHFFFAOYSA-N 383.473 4.933 0 40 GJAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3Cl)ccc21 8958928 LATPAGVCEGRAMG-UHFFFAOYSA-N 386.879 4.754 0 40 GJAB CC(C)(C)c1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9040264 NLPGFNJBOBTPSH-OAHLLOKOSA-N 399.922 4.812 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Br)cc3F)o2)cs1 12619772 FITJULOYJHXEEI-UHFFFAOYSA-N 395.253 4.543 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(F)c(F)c2)N1c1ccc2c(c1)OCCO2 12632024 LETMLQNTDROGQS-OAQYLSRUSA-N 394.377 4.507 0 40 GJAB CC(C)c1ccc(-c2csc(NC(=O)CCNC(=O)c3ccsc3)n2)cc1 12742498 NLGBVBBOTOUWHY-UHFFFAOYSA-N 399.541 4.754 0 40 GJAB Cc1cc(C(=O)O[C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)on1 12797587 YJKGBHPVHINTDL-AWEZNQCLSA-N 395.846 4.952 0 40 GJAB CCn1c([C@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)nc2ccccc21 13031025 GUEPQQZIWDECGW-NRFANRHFSA-N 387.458 4.909 0 40 GJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(Cl)c(Cl)c1 14574176 IQAQSKQITGHCRJ-UHFFFAOYSA-N 380.231 4.689 0 40 GJAB c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)c1 15016074 GDHYHXISVVXYFL-IIBYNOLFSA-N 376.437 4.719 0 40 GJAB C[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2C1 17192294 ZTXBFFRIMLSCDV-WZMSGYHUSA-N 384.479 4.975 0 40 GJAB O=C(N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccccc1Cl 19315351 YVVIJIRSJXEXBB-AWEZNQCLSA-N 384.134 4.642 0 40 GJAB COc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC(C)C 19450478 PVIUSBYZGPPVIH-SVGJNIJCSA-N 399.506 4.636 0 40 GJAB CC(C)COc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1 27993522 DVBDFLABUVDFQJ-UHFFFAOYSA-N 380.513 4.817 0 40 GJAB CCCCOC(=O)CSc1nc2cc(OC)ccc2n1Cc1ccccc1 30822808 RCKJMFVRAOONLB-UHFFFAOYSA-N 384.501 4.529 0 40 GJAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cc(-c2ccco2)[nH]n1 32779945 ODGVMCSPJJVGEC-UHFFFAOYSA-N 375.413 4.527 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(N2CCCCCC2)nc1 32809308 ISAMVKCHQVSGHJ-UHFFFAOYSA-N 389.503 4.517 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSCc1cc(=O)c2cccc(C)c2[nH]1 33063984 ILELWNKCZJCEIL-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB Cc1cccc2cc(C(=O)Nc3ccc(I)cc3)oc12 41306658 VAEANNKTEPWPLP-UHFFFAOYSA-N 377.181 4.598 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@@H](CC(C)C)c2ccccc2)c(OC)c1OC 44843061 YADVMNAPQWLINJ-XUDAUXSOSA-N 383.488 4.629 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)Cc1cccs1 57024642 TYTPHFIGHHBQRR-NRFANRHFSA-N 380.513 4.877 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349581 QHHQDGHHDPYGDK-LJQANCHMSA-N 392.449 4.976 0 40 GJAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1c(C)noc1C 84023518 SETBECWIGZEFFE-UHFFFAOYSA-N 395.406 4.672 0 40 GJAB COc1cc(C(C)=O)ccc1OCCCC(=O)O[C@H](C(C)(C)C)C(F)(F)F 89292155 YSZIDLIGSYHRBK-QGZVFWFLSA-N 390.398 4.577 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 136532469 BQJHODVLOIVQTK-ROUUACIJSA-N 396.874 4.580 0 40 GJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1OCc1ccccc1 218988508 RVELEOHFZCIDLL-UHFFFAOYSA-N 399.450 4.588 0 40 GJAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1C(C)(C)C 223706505 DAHJZFXMYXPUNA-OAHLLOKOSA-N 375.896 4.600 0 40 GJAB CCOc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225575193 GLOVOUQOTLEXJC-UHFFFAOYSA-N 390.886 4.729 0 40 GJAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccccc1Cl 225803497 GJXWKQIGERWOJM-UHFFFAOYSA-N 395.768 4.980 0 40 GJAB COc1ccc(NC(=S)NCCCc2cccc3ccccc23)c(OC)c1 225808308 WJMCRTWDRHPKNK-UHFFFAOYSA-N 380.513 4.776 0 40 GJAB CCOCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cn1 225866355 NHUIGIGMBPHGPA-UHFFFAOYSA-N 382.504 4.646 0 40 GJAB Cc1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 244368522 XXMWQGLDNLOIAL-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB Cc1cccc(C2CCN(Cc3ccc(-c4ccccc4C(=O)O)o3)CC2)n1 257202368 ALLNIOMBSXSQRM-UHFFFAOYSA-N 376.456 4.728 0 40 GJAB CC[C@H](C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1 257257947 KRSXWGOFIWRENI-KRWDZBQOSA-N 399.506 4.755 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc(F)cc3)N21 260753075 BEVXHTJTOFBBND-CZAAIQMYSA-N 392.503 4.991 0 40 GJAB COc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2ccccc2)cc1 408628284 VYWZNMZEPLPMFT-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3)nc2c1 408629117 ZNMFYOXFLVFRIP-UHFFFAOYSA-N 381.501 4.916 0 40 GJAB CC(C)Sc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2s1 408748440 AINHIUHKWMLGOG-CHWSQXEVSA-N 378.519 4.626 0 40 GJAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(C)c1-c1ccc(OC)cc1 409205355 BPGBISBEWHPSGK-XDOYNYLZSA-N 386.904 4.719 0 40 GJAB O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 507388443 FZMPEFHKKYSIFF-MOUTVQLLSA-N 388.511 4.937 0 40 GJAB C[C@]12CC[C](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 1560406177 LVJGQIXWLGYYNZ-PNERCMSUSA-N 385.524 4.785 0 40 GJAB O=C(c1ccc(F)c(Cl)c1)N1CC[C@H](c2cccc(Br)c2)C1 1583189299 WDYFYFAQTYXWKR-ZDUSSCGKSA-N 382.660 4.871 0 40 GJAB CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)/C=C/c1ccc2ccccc2n1 1624165325 FLEBKLVKNFFUBY-VKMBSSEASA-N 380.875 4.794 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 682201 WQRHJHOASPAJEZ-UHFFFAOYSA-N 379.843 4.897 0 40 GJAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccccc3C)n12 902977 PSOVEUTUOPJQEA-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c(C)c1 990088 VYZBSIDKDVNBRU-SANMLTNESA-N 399.490 4.619 0 40 GJAB FC(F)(F)C1(C(F)(F)F)N=C2C=CC=CN2C(c2ccc(Cl)cc2)=N1 2050481 GOGMMGFSCKGKSS-UHFFFAOYSA-N 379.691 4.705 0 40 GJAB O=C(NC[C@H](C(=O)O)C1CCCCC1)OCC1c2ccccc2-c2ccccc21 2392135 MYCOAJZXTGFHDZ-NRFANRHFSA-N 393.483 4.806 0 40 GJAB Fc1ccccc1OCCSc1nc(-c2ccccc2Br)n[nH]1 2631002 XDLPDAIOYJNERT-UHFFFAOYSA-N 394.269 4.544 0 40 GJAB Cc1cccc(-c2nsc(SCC(=O)NCc3ccccc3Cl)n2)c1 2917565 URJLHBSRUYCDRS-UHFFFAOYSA-N 389.933 4.575 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1cccs1 3374254 BARACRNSDZAPGA-LJQANCHMSA-N 398.915 4.579 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305459 MRHJZSUBPJZPCB-FQEVSTJZSA-N 396.943 4.864 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2ccccc2)cc1 4322767 BHVTZQHLYXRWRB-HXUWFJFHSA-N 390.405 4.594 0 40 GJAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 4546543 XCDDDCHOSACHJL-CIAFOILYSA-N 391.373 4.888 0 40 GJAB Cc1ccc(-c2nc3c(c(SCCN4CCCCC4)n2)COC(C)(C)C3)cc1 5305983 SYWCSBYJOLLEFC-UHFFFAOYSA-N 397.588 4.881 0 40 GJAB O=C(/C=C/c1ccccc1)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 5389814 RXXURPGSOGAPJQ-UAZOCFDISA-N 379.475 4.734 0 40 GJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)c(OC)c1 5445453 WPKQCEHJZJSIBU-ZJSXRUAMSA-N 386.451 4.946 0 40 GJAB CN1C(=O)/C(=C/c2ccccc2OC(F)F)c2cc(Br)ccc21 6497685 FYFXWQKHMLBIKP-MDWZMJQESA-N 380.188 4.568 0 40 GJAB COc1cc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)ccc1OC(F)F 6641925 BZJBQIQBIVNCQR-UHFFFAOYSA-N 376.403 4.814 0 40 GJAB COc1ccc(OC)c(NC(=O)CSc2nc3cc(Cl)ccc3s2)c1 6649067 MITQPSMXAGPXRL-UHFFFAOYSA-N 394.905 4.698 0 40 GJAB O=c1c(-c2ccc(Cl)cc2)coc2cc(OCCN3CCCCC3)ccc12 6759037 ZIOMKRLGPVPTPM-UHFFFAOYSA-N 383.875 4.978 0 40 GJAB CSc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 6881611 AHQJQASXMWPVHQ-UHFFFAOYSA-N 386.480 4.909 0 40 GJAB O=C(O)/C(=C\c1ccc(N2CCCCC2)cc1)Sc1nc2ccccc2[nH]1 7342977 HQYKSCDNHWGFKQ-XMHGGMMESA-N 379.485 4.771 0 40 GJAB C[C@H](OC(=O)/C=C/c1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 7565374 WWIBQISRTJTPQA-TZIYXEQSSA-N 396.443 4.533 0 40 GJAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)c1c[nH]c2ccccc12 7799612 LHPCGXBLUJVSKE-ZDUSSCGKSA-N 389.484 4.520 0 40 GJAB CCCCN1C(SCc2cc(C)ccc2C)=NS(=O)(=O)c2ccccc21 8024003 GMJLYPXFQFPBRH-UHFFFAOYSA-N 388.558 4.902 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 8118039 CJVRYRDCERDXPP-INIZCTEOSA-N 393.796 4.612 0 40 GJAB CN(C)c1ccc([C@@H](CNC(=O)Cc2ccccc2)c2c[nH]c3ccccc23)cc1 8191999 UOGAMPPUKFGOKL-HSZRJFAPSA-N 397.522 4.725 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 8276347 WCBQUVMLYRQZFJ-UHFFFAOYSA-N 388.939 4.700 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)c1 9198150 MTCRQOBOCCGYAD-QGZVFWFLSA-N 393.487 4.640 0 40 GJAB CCCC[C@H](Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1)C(=O)O 9340533 BHRCIWCVAHAOHM-SFHVURJKSA-N 397.500 4.678 0 40 GJAB COc1ccc(-c2c(C)nn3c(=O)cc(CSc4ccc(C)cc4)[nH]c23)cc1 9420213 PPAIORSZCWIRDM-UHFFFAOYSA-N 391.496 4.607 0 40 GJAB c1ccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)cc1 9573538 MIBUHVMWHIDHBO-UHFFFAOYSA-N 393.454 4.566 0 40 GJAB C[C@H](SCc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F 9911009 UVTCMFXNXYFUEJ-JTQLQIEISA-N 386.261 4.988 0 40 GJAB Cc1ccc(SCCC(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 10210579 QTLXGRYUEZOLNV-UHFFFAOYSA-N 388.876 4.924 0 40 GJAB COc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccc(C)cc1)OC2=O 11666560 DOHDLWURFSAWHE-JOCHJYFZSA-N 387.435 4.710 0 40 GJAB Cc1ccc(CN(C(=O)c2ccccc2Br)c2ccccn2)cc1 11914554 RFTWJOJOKHCCJH-UHFFFAOYSA-N 381.273 5.000 0 40 GJAB CCN(CC)C(=O)[C@@H](C)Oc1c(-c2ccccc2Cl)oc2ccccc2c1=O 12000394 ZEWXCXOJRUFOFC-CQSZACIVSA-N 399.874 4.749 0 40 GJAB CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 12558115 UTRKISLBLADDRM-VGOFRKELSA-N 380.513 4.663 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)CSCc3ccccc3)n2)cc1 12799649 AQOZUDHKCVEJBM-UHFFFAOYSA-N 397.525 4.640 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cccc(Br)c2)cc1 12887389 IYJRTSLOYQUWLM-UBIUBJKMSA-N 386.289 4.835 0 40 GJAB CSc1ccc(C)c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 12949849 CJIBVCIJSVLTDL-UHFFFAOYSA-N 397.327 4.734 0 40 GJAB O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)NC1CCCCCC1 14085537 GSQWGQAWVJPZPW-UHFFFAOYSA-N 381.398 4.527 0 40 GJAB Cc1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c2c(C)noc2n1 14213619 QASGRMWRANGFAU-UHFFFAOYSA-N 384.848 4.869 0 40 GJAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccccc2)cc1 15412196 JXCHOWLNSMTJCH-XMMPIXPASA-N 384.479 4.733 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Cl)cc1Cl 15422625 RCFGQTWNHOTIKY-SFHVURJKSA-N 375.255 4.896 0 40 GJAB O=C(O)c1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 16401626 IBVOHARBSAGVQD-UHFFFAOYSA-N 381.859 4.907 0 40 GJAB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(Cc2ccc(Cl)s2)CC1 18111152 OLAMUTQMKLYMNX-UHFFFAOYSA-N 389.735 4.666 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 20110836 SELTZGFOFSXRQR-OAQYLSRUSA-N 398.478 4.684 0 40 GJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(C(C)C)cc1 20143947 PXACYOVXSTXUTJ-UHFFFAOYSA-N 395.455 4.588 0 40 GJAB Cc1cccc([C@@H]2CC(=O)c3cn4nc(-c5ccc(Cl)cc5)nc4nc3C2)c1 20796016 WDQRLOZUOXADKC-INIZCTEOSA-N 388.858 4.666 0 40 GJAB Cc1ccc([C@@H](NS(=O)(=O)Cc2cccc(Cl)c2)c2ccccc2)cc1 22527958 XHDSRWGVCVAQBR-NRFANRHFSA-N 385.916 4.857 0 40 GJAB NC(=O)c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 23687488 FTTVBYDWUNGBMZ-UHFFFAOYSA-N 384.357 4.724 0 40 GJAB c1ccc(-n2c(Cc3cccs3)nnc2SCCc2ccncc2)cc1 25065836 MNFHJTVJXNUPQY-UHFFFAOYSA-N 378.526 4.649 0 40 GJAB O=C(c1cc(-c2ccco2)on1)N(Cc1cccc(Br)c1)C1CC1 25090755 PNZKNSOPQBPDOM-UHFFFAOYSA-N 387.233 4.502 0 40 GJAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3nc4c(C)cccc4s3)c2)n1 27970869 AZTCIBDUIOBEDO-UHFFFAOYSA-N 376.485 4.719 0 40 GJAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(C2SCCCS2)cc1 32777358 DNKYCOUULKNSOO-UHFFFAOYSA-N 383.498 4.858 0 40 GJAB O=C(Nc1ccccc1)N1CCN(Cc2ccccc2)C[C@@H]1Cc1ccccc1 38575636 JKWFFNQBJCBXLX-DEOSSOPVSA-N 385.511 4.648 0 40 GJAB C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)C1 39844548 MHCWUJPPBJEWTP-IAGOWNOFSA-N 396.512 4.657 0 40 GJAB CCCN(CC1CC1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 40009572 MECCKZUWDYDFLQ-UHFFFAOYSA-N 384.545 4.514 0 40 GJAB CSc1ccc(CN(C)C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1 40104814 ZLUSTYATCNEOHQ-UHFFFAOYSA-N 397.544 4.617 0 40 GJAB O=C(Nc1ccccc1)c1cccc(CNC(=O)c2ccc(Cl)cc2F)c1 40106726 LQNPNPZEQOFBAE-UHFFFAOYSA-N 382.822 4.661 0 40 GJAB O=C(CCCCCn1sc2ccccc2c1=O)Nc1cc(Cl)ccc1O 40267989 LZLZZUNRPPTDOF-UHFFFAOYSA-N 390.892 4.621 0 40 GJAB O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc(-c2cccs2)on1 40990067 VQGLTJVFMUHSNL-UHFFFAOYSA-N 387.367 4.805 0 40 GJAB Cc1ccccc1-n1c(C)nn(CN(C)Cc2c(F)cccc2Cl)c1=S 57981370 DQPLXNUJJLZSLP-UHFFFAOYSA-N 390.915 4.902 0 40 GJAB C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@@H](c2ccccc2)O1 62517442 AZGHNCPCNIGPJW-GUYCJALGSA-N 386.904 4.999 0 40 GJAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 72348656 GAJXOENVGXZYPP-SFHVURJKSA-N 390.458 4.916 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)C12CCCCC2 72401756 WYBMOSMFQLJCJI-SFHVURJKSA-N 397.544 4.680 0 40 GJAB O=C(Nc1nnc([C@H]2CCCO2)s1)c1ccc(-c2ccccc2Cl)o1 72403050 RJKMVJATODURCD-CQSZACIVSA-N 375.837 4.555 0 40 GJAB O=C(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccccc1C(F)(F)F 96099228 GQVMXRMYJBMQAT-UHFFFAOYSA-N 391.437 4.826 0 40 GJAB COc1ccc(C(=O)N[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1OC 96117006 KWIDNVMRGUQRHA-INIZCTEOSA-N 384.863 4.646 0 40 GJAB CCOc1ccccc1N/C=C1\C(=O)N(c2ccccc2)C(=O)c2ccccc21 101309585 WUVXMIQSPFVGID-SILNSSARSA-N 384.435 4.725 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1 218987388 OAXAXHYYGXOXRS-IBGZPJMESA-N 375.468 4.771 0 40 GJAB COc1ccc2cc(C(=O)N3CCS[C@H](c4ccccc4C)CC3)[nH]c2c1 219287433 BRHCKNGXPHUAAN-NRFANRHFSA-N 380.513 4.805 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 222885068 DKGJFZWMUWQKSO-LEWJYISDSA-N 376.529 4.563 0 40 GJAB Cc1cccc(C)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 223104848 LVAJYKHDHBFUOE-RGEXLXHISA-N 376.481 4.775 0 40 GJAB COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(C)c(C)c1 224286064 SJVDPCDALWMVJR-UHFFFAOYSA-N 375.468 4.821 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 224598780 KDSJZYOPDAXMHD-PMACEKPBSA-N 392.528 4.521 0 40 GJAB COc1cc(CNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(C)C 225186476 FGUHYWIJVQJWAT-UHFFFAOYSA-N 385.504 4.609 0 40 GJAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 225307626 GTDQBFFUKRHWNS-UHFFFAOYSA-N 384.907 4.928 0 40 GJAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225457583 WXHKQAGSQFMMJZ-UHFFFAOYSA-N 390.434 4.686 0 40 GJAB COC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCCCC1 225628943 FZNBZTKZMZJQFD-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc2sc(N)nc12 226311837 MUVSMZXYGHZTKB-UHFFFAOYSA-N 375.881 4.636 0 40 GJAB C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@H](CC=C5C[C@H](O)CC[C@]54C)[C@@H]3C[C@H]2O[C@@]12CC[C@@H](C)CN2 253590294 FNIVMUUUMKIEAO-OMJYZVIXSA-N 399.619 4.897 0 40 GJAB O=C(c1ccccn1)N1CCCC[C@H]1c1ccc(Cc2ccc(F)cc2)nc1 257219039 DFJHHFDVSDLGJI-QFIPXVFZSA-N 375.447 4.574 0 40 GJAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257245341 IPBARSSTUSOIJQ-FQEVSTJZSA-N 397.478 4.833 0 40 GJAB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1 408625766 FMYWNIIAGGXOGA-UHFFFAOYSA-N 391.496 4.561 0 40 GJAB O=C(c1ccc2c(c1)CCC=C2)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 656422813 FCMXGHNJYQGHRD-POTDNYQPSA-N 398.550 4.629 0 40 GJAB CC(C)(C)c1cc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c2ncccc2c1 1543862992 MOVKTZQQPMLDCA-QGZVFWFLSA-N 391.446 4.736 0 40 GJAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)c1 703974 LOTXFQGEBKGMDF-JOCHJYFZSA-N 397.430 4.547 0 40 GJAB CC(C)N(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(C)C 882303 GFOMTXAGRMSXHJ-UHFFFAOYSA-N 375.538 4.772 0 40 GJAB Cc1c(Cl)cccc1NC(=O)COC(=O)/C=C/c1cccc2ccccc12 957213 WQOBVTWPYMGANY-OUKQBFOZSA-N 379.843 4.997 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)sc(C)c1C 1102495 QFDXZVXIZQKNIC-GFCCVEGCSA-N 395.908 4.909 0 40 GJAB COc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)c1 1447987 IFVHPEOKWFQWJJ-UHFFFAOYSA-N 386.403 4.996 0 40 GJAB biogenic O=C1c2ccccc2N(Cc2ccccc2)C(=O)[C@]1(Cl)Cc1ccccc1 2144981 BPLQLJJOVFZZMU-QHCPKHFHSA-N 375.855 4.636 0 40 GJAB COc1ccc([C@@H]2CC(=O)n3nc(-c4cccc5ccccc45)nc3S2)cc1 2320777 SMYIYGFCVXFVHN-IBGZPJMESA-N 387.464 4.984 0 40 GJAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(OC)cc2)o1 2620334 LWLUQEGPEAPXTD-UHFFFAOYSA-N 384.457 4.639 0 40 GJAB Cc1cc(C)c(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c(C)c1 2644593 ZRKWGKIFJBRAQM-UHFFFAOYSA-N 383.451 4.563 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1 3196494 LDIZNHAYEVOVDT-UHFFFAOYSA-N 377.284 4.560 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(SC)cc1OC 3294699 MDWNBNGHKAIFFC-CQSZACIVSA-N 387.501 4.726 0 40 GJAB O=C(Nc1nnc(C2CC2)s1)c1ccccc1OCc1ccc(Cl)cc1 3361507 BVBIGVSBJZQMJR-UHFFFAOYSA-N 385.876 4.900 0 40 GJAB Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1cccc(F)c1 4036406 YOIBTGSOHPUNDR-UHFFFAOYSA-N 399.472 4.607 0 40 GJAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1 4077228 IRQMWNTXGXEBNF-UHFFFAOYSA-N 399.903 4.924 0 40 GJAB Cc1ccccc1N1C[C@@](O)(c2ccc(Cl)c(Cl)c2)[N+]2=C1CCCCC2 4086885 PDQGYBQQJGKPGQ-OAQYLSRUSA-N 390.334 4.952 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2c(C)ccc3c2N[C@@H]2Cc4ccccc4[C@H]32)cc1 4114309 DLDDWBXKFOARQU-NHCUHLMSSA-N 391.492 4.553 0 40 GJAB C[C@@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 4854579 KIBKZTJXDIKILT-WDKZXAFLSA-N 393.486 4.510 0 40 GJAB CCn1c(SCCOc2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 5308976 SWDOYUKKLLKSJF-UHFFFAOYSA-N 389.908 4.798 0 40 GJAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5487213 VIHPEDDLSVUTHX-OALUTQOASA-N 390.310 4.595 0 40 GJAB Cc1cc(Cl)ccc1Oc1ncccc1C(=O)Nc1ccc2c(c1)OCO2 5725002 JCUAKPZLGWDMRA-UHFFFAOYSA-N 382.803 4.817 0 40 GJAB COc1ccc(-c2csc(NC(=O)COc3cccc4ccccc34)n2)cc1 5917876 FMAYPHSBAMQGOE-UHFFFAOYSA-N 390.464 4.989 0 40 GJAB CN(C)S(=O)(=O)c1ccc(C(=O)OC2CCCCCCCCCCC2)cc1 6051549 ALGKJOUFRRHBAJ-UHFFFAOYSA-N 395.565 4.767 0 40 GJAB O=C(CSc1nnc2ccccn12)Nc1ccccc1Sc1ccccc1 6115205 JNFBYWJUNMVUTQ-UHFFFAOYSA-N 392.509 4.611 0 40 GJAB O=C(O)c1ccc2c(=O)[nH]c(/C(Cl)=C/c3ccc(Cl)c(Cl)c3)nc2c1 6210630 RVQVNUXKBCJHJY-MLPAPPSSSA-N 395.629 4.665 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccccc1C)c1ccccc1 6887220 FDDDUPLBHZVVAX-QFIPXVFZSA-N 389.451 4.849 0 40 GJAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 7928109 NZQNOSAYPFDQMF-LLVKDONJSA-N 397.689 4.947 0 40 GJAB CCCCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1 8118082 HJGKHAODKWDDNF-FQEVSTJZSA-N 397.906 4.772 0 40 GJAB C[C@H](NCCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl 8172948 CTSLWNNBOFHPMF-NSHDSACASA-N 392.735 4.771 0 40 GJAB CCOc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1F 8254173 KQNBPEYOFZGABN-QGZVFWFLSA-N 393.886 4.725 0 40 GJAB CC(=O)Nc1ccc(CC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 8395727 VCKPFJMALJNJOS-UHFFFAOYSA-N 386.495 4.526 0 40 GJAB O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)Nc1nccs1 8854465 WCOGQBNCHGCFEF-UHFFFAOYSA-N 381.935 4.727 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 8992852 FDVFXEBBJRKHQR-UHFFFAOYSA-N 391.515 4.780 0 40 GJAB CCc1ccc(CN(C)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 9791766 NRBYHHMNJYDRCT-JOCHJYFZSA-N 382.504 4.559 0 40 GJAB Cc1ccc([C@H](Cc2ccsc2)NCc2cncn2Cc2ccccc2)nc1 12087906 RRRBHLIOYXQSLH-QHCPKHFHSA-N 388.540 4.770 0 40 GJAB Cc1cccc(C(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)c1C 12798789 VODVFOWUOGMDIH-UHFFFAOYSA-N 380.469 4.640 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Br)cc1 12901523 PIVMMCSJQMQSBM-LLVKDONJSA-N 375.291 4.892 0 40 GJAB COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 15832723 UEFAAZRXBUGSFU-MRXNPFEDSA-N 396.512 4.519 0 40 GJAB Cc1ccccc1C(=O)N1CCC[C@H](c2nnc(-c3nccc4ccccc34)o2)C1 19236773 RUTDWUDCNAVUEX-SFHVURJKSA-N 398.466 4.613 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OC 20110191 RSMOKKWAANJMFZ-YVIRBKRRSA-N 387.479 4.931 0 40 GJAB COc1ccc(-n2nc(Nc3ccccc3OC)c3c2CC(C)(C)CC3=O)cc1 20797053 IYZISSQQCWTFOH-UHFFFAOYSA-N 391.471 4.788 0 40 GJAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2cc(C)ccc2nc1C 22020526 COYBDMMCGWHAGW-UHFFFAOYSA-N 378.472 4.531 0 40 GJAB C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(-c2ccccc2)cc1 22980485 YPBWEPSIRHJJBK-LJQANCHMSA-N 398.506 4.967 0 40 GJAB CSc1ncc(Br)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 27741855 HXGKZTPXJQRMBB-UHFFFAOYSA-N 393.093 4.520 0 40 GJAB Cc1noc(C)c1CSc1ccccc1C(=O)NCCc1ccccc1F 27992355 IBXAGJKLUZEOLZ-UHFFFAOYSA-N 384.476 4.695 0 40 GJAB O=C(NC1CCN(C2CC2)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 29091661 GSYBLNZWGMNIOV-UHFFFAOYSA-N 388.433 4.729 0 40 GJAB CC(=O)Nc1cccc([C@H](C)NC(=O)C2(c3cccc(Cl)c3)CCCC2)c1 32161329 VOXYFNUTAUZELG-HNNXBMFYSA-N 384.907 4.988 0 40 GJAB C[C@H](NC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc2c(c1)OCCO2 32863097 RHZCNUBXMOTRBK-HNNXBMFYSA-N 398.484 4.585 0 40 GJAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1 33658574 PYVUJFZOIOLQFP-UHFFFAOYSA-N 394.446 4.854 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(OC(C)C)c2)cc1 36360689 UYXXLBSDKAIEMQ-LJQANCHMSA-N 377.444 4.792 0 40 GJAB O=C(CCc1nc(Cc2ccccc2)no1)N(Cc1ccccc1)c1ccccc1 40129674 IBZSFISZAUMPSN-UHFFFAOYSA-N 397.478 4.826 0 40 GJAB C[C@H](SCc1ccccc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 40143323 MIOYVZGBCXWDON-INIZCTEOSA-N 380.513 4.856 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2Cl)c(OC)c1 40288590 ZNINKCOBDGMCEM-AWEZNQCLSA-N 383.835 4.667 0 40 GJAB O=C(Nc1nnc(-c2ccsc2)o1)C1c2ccccc2Oc2ccccc21 49029132 FOFIGPGRYYCLAT-UHFFFAOYSA-N 375.409 4.674 0 40 GJAB CCN(Cc1ccccc1)C1CCN(Cc2ccc(Br)cc2)CC1 54992082 JJOUTTRVWGCOHX-UHFFFAOYSA-N 387.365 4.936 0 40 GJAB COCc1c(C(=O)Nc2ccc(OC)c3ncccc23)sc2cccc(F)c12 56305229 QTHWNZNJCRRUFN-UHFFFAOYSA-N 396.443 4.996 0 40 GJAB Cn1ccnc1-c1nc(NCc2ccccc2Cl)ncc1-c1ccccc1F 57775414 VXQWABOPWIGKNM-UHFFFAOYSA-N 393.853 4.949 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N[C@H]1CCOc2ccccc21 58023122 VFLJVYHXPZVESC-SFHVURJKSA-N 385.895 4.976 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1 58438978 ULCYXSYAEGWPEO-ZWKOTPCHSA-N 391.487 4.612 0 40 GJAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC(C)(C)c1ccccc1 65406018 VWNLZPLLKNWTRL-UHFFFAOYSA-N 384.476 4.835 0 40 GJAB O=C(NC1(c2ccc(Br)cc2)CC1)C1CCC(n2cccc2)CC1 69455829 IUHAIOHQBWBFAH-UHFFFAOYSA-N 387.321 4.787 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(OC)cc2)cc1 72329024 LZSRTSWUHQCTRT-MRXNPFEDSA-N 393.487 4.755 0 40 GJAB O=C(N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1cc(Cl)cc(Cl)c1 78733230 NWJAJDFGKZPBTE-OALUTQOASA-N 386.282 4.849 0 40 GJAB CCN1CC[C@@H](N(C)Cc2cc3ccc(SC)cc3nc2Cl)[C@H](C)C1 78969731 PGEKTUCFYIHRFP-AUUYWEPGSA-N 377.985 4.772 0 40 GJAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc2cc(C(F)(F)F)ccc2s1 79191806 PNUQRKVMSHZAKR-XJKSGUPXSA-N 396.478 4.914 0 40 GJAB biogenic CN(C(=O)c1cccc(C(=O)N(C)c2ccc(F)cc2)c1)c1ccc(F)cc1 89365229 PWWUPVFEGPACAT-UHFFFAOYSA-N 380.394 4.518 0 40 GJAB Cc1ccc(C(=O)N(CC(F)F)c2c(C)cc(Br)cc2C)nc1 96011153 CVKPULSZTHZCGV-UHFFFAOYSA-N 383.236 4.681 0 40 GJAB COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)/C2=C/Nc1ccccc1 102977929 LZEVBKVARAPFAQ-PXLXIMEGSA-N 398.462 4.952 0 40 GJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 108875221 IHTCQYKSPFVHHF-UHFFFAOYSA-N 390.936 4.740 0 40 GJAB Cc1cc(OCC(=O)NCCCc2ccc(OC(C)C)cc2)ccc1Cl 218939736 TXQVYNBECVBPGF-UHFFFAOYSA-N 375.896 4.563 0 40 GJAB O=C(N1CCS[C@@H](c2ccccc2F)CC1)C1(c2ccccc2)CCOCC1 219112694 VBHWTQZSZBWBPW-OAQYLSRUSA-N 399.531 4.581 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(F)cc1F)CC(C)(C)O2 225682609 WEBWBSLJPMMMQX-INIZCTEOSA-N 378.444 4.562 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCCCC1 260814475 JCGZFCDAZCCAPF-LJQANCHMSA-N 388.552 4.618 0 40 GJAB COc1ccc(-c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)nn2)cc1 408528513 IQYDMFSYTMRZIC-UHFFFAOYSA-N 396.446 4.890 0 40 GJAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1C(=O)Oc1ccccc1 409002744 POZOSDICJZDKTF-QFIPXVFZSA-N 386.451 4.956 0 40 GJAB CC(=O)N1CCCCCCCCN(C(=O)c2ccnc(C)c2)Cc2ccccc21 643560456 SKZSHUWLZIXQTF-UHFFFAOYSA-N 393.531 4.740 0 40 GJAB C[C@@H](NC(=O)N1CCC[C@H](CCF)C1)c1cccc(NC(=O)c2ccccc2)c1 663577050 JVMYLGXRFPRTGC-QZTJIDSGSA-N 397.494 4.781 0 40 GJAB Cc1cccc(NC(=O)[C@H](C)Sc2ncnc3sc4c(c23)CCCC4)c1 873789 OBYPAHHDKJTTMY-ZDUSSCGKSA-N 383.542 4.998 0 40 GJAB CC(C)c1nc(SCC(=O)N2CCCC2)c2c3c(sc2n1)C[C@@H](C)CC3 1375669 FHMYAMCZSBMHNS-ZDUSSCGKSA-N 389.590 4.654 0 40 GJAB CC(C)CCC(C(=O)N[C@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 2119427 RTERSVKGKRXLAJ-RTBURBONSA-N 380.532 4.794 0 40 GJAB biogenic CCOC(=O)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 2246655 RXWMEKWZZPUBMA-UHFFFAOYSA-N 387.530 4.507 0 40 GJAB Cc1ccc([C@@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2264307 ZACYUMYSOOFCQF-FIPFOOKPSA-N 395.439 4.872 0 40 GJAB COc1ccc(NC(=O)CSc2ncnc3c2oc2ccccc23)cc1Cl 2406554 HUBVSIBSPQUJHF-UHFFFAOYSA-N 399.859 4.769 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1 2425069 UKMZYAJJKQWFER-UHFFFAOYSA-N 398.418 4.671 0 40 GJAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(N4CCC(C)CC4)c23)CO1 2426029 IUSOGWAZXDEERA-LJQANCHMSA-N 377.579 4.891 0 40 GJAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)NCCC1=CCCCC1 3292270 YMIMKTCLTBGTFL-VQHVLOKHSA-N 382.287 4.557 0 40 GJAB aggregator COc1ccc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 3344878 UVFHUIYCRWCFMV-XNTDXEJSSA-N 388.832 4.616 0 40 GJAB CCCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 4132609 LNWKQZYBTZINOF-UHFFFAOYSA-N 399.604 4.954 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc(SC)cc3)n2)c(OC)c1 4517627 VSUCUJLELMUZNT-UHFFFAOYSA-N 386.498 4.802 0 40 GJAB COC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 4546037 VIRHJEDYDNBOFP-UHFFFAOYSA-N 390.277 4.786 0 40 GJAB CCOc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 4689667 MRCAEFRQWYSUSR-ZWKOTPCHSA-N 399.292 4.586 0 40 GJAB Cc1ccccc1-c1ocnc1C(=O)Nc1ccccc1NC(=O)c1ccccn1 5001968 ZTZHQEVUDFQCKW-UHFFFAOYSA-N 398.422 4.550 0 40 GJAB Cc1ccccc1NC(=O)CSc1nnc(Nc2cccc(C)c2C)s1 6790730 NEOUOBXFXLWNMJ-UHFFFAOYSA-N 384.530 4.938 0 40 GJAB O=C(Nc1cc(-c2ccccc2)sc1C(=O)O)c1ccc(Br)o1 6808147 XZUWXTSHAJKDKV-UHFFFAOYSA-N 392.230 4.721 0 40 GJAB CC[C@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 7079612 PFCTZARBSYPJHL-HKUYNNGSSA-N 394.515 4.979 0 40 GJAB CC[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccc(OC)cc1 8107657 RFVGTEAVFCXXTA-MRXNPFEDSA-N 379.323 4.895 0 40 GJAB Brc1ccccc1-c1nnc(SCc2nc3ccccc3o2)o1 8186955 JKSOPLNLPXQQBF-UHFFFAOYSA-N 388.246 4.933 0 40 GJAB COc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(C)c(C)c2)cc1 8917565 YFLFHDNEVKPUDF-UHFFFAOYSA-N 379.456 4.513 0 40 GJAB C[C@H](Nc1ncnc2sc(-c3ccccc3)cc12)[C@@H](O)c1ccc(O)cc1 9076696 BIKYSLSTBFFZRG-ORAYPTAESA-N 377.469 4.598 0 40 GJAB CCN1C(=O)c2cc(NC(=O)c3ccccc3OC)ccc2Oc2ccccc21 9134667 HKAJMZRELUHPNU-UHFFFAOYSA-N 388.423 4.720 0 40 GJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccccc3F)ccc1O2 9135359 FKZMYWKGTUZMCF-UHFFFAOYSA-N 376.387 4.769 0 40 GJAB CC[C@H](C)Nc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 9622527 HTFMUBVNEBZHAW-AWEZNQCLSA-N 376.439 4.909 0 40 GJAB CCOc1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cc1OCC 10254453 DXHRAPHBAFUFQX-UHFFFAOYSA-N 396.487 4.737 0 40 GJAB C[C@H](OC(=O)c1cccc2c1C(=O)c1ccccc1-2)C(=O)c1cccc(Cl)c1 11565727 LHSCWJJGZLJSPQ-ZDUSSCGKSA-N 390.822 4.980 0 40 GJAB COc1cc2sc(NC(=O)c3ncoc3-c3cccs3)nc2cc1Cl 12115130 DFZGQCFNCWZJJH-UHFFFAOYSA-N 391.861 4.927 0 40 GJAB O=c1c2ccccc2nc(SCc2ccon2)n1-c1ccc2ccccc2c1 12360519 VQNVURFNTWEPOV-UHFFFAOYSA-N 385.448 4.819 0 40 GJAB COc1ccc(-c2nnc([C@@H](C)Sc3nccn3Cc3ccccc3)o2)cc1 12506803 QLRIQFQJQHNIKU-OAHLLOKOSA-N 392.484 4.843 0 40 GJAB CC(C)c1cc(C(=O)NCc2nccc3ccccc23)c2cnn(C(C)C)c2n1 12517284 QFBJLVUXBPZSCK-UHFFFAOYSA-N 387.487 4.614 0 40 GJAB CCn1ncc2c(C(=O)Nc3ccc(F)cc3F)cc(-c3ccccc3)nc21 14260557 CHDKSVPZOXWKNP-UHFFFAOYSA-N 378.382 4.649 0 40 GJAB Clc1cc(CN[C@@H](Cc2ccsc2)c2nccs2)cc2c1OCO2 19406513 LIIWOPDIQYGVNT-AWEZNQCLSA-N 378.906 4.660 0 40 GJAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 20106723 HIPIFNBSQHIURX-HXUWFJFHSA-N 375.534 4.686 0 40 GJAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccccc1C 21787425 MHWPKOQYBYVZNO-QFIPXVFZSA-N 391.515 4.887 0 40 GJAB Cc1cccn2c(NC(=O)Cc3c[nH]c4ccccc34)c(-c3ccccc3)nc12 21831877 LAFRIEDCFZVIBQ-UHFFFAOYSA-N 380.451 4.972 0 40 GJAB CCCCOc1ccc(S(=O)(=O)NCc2cccs2)cc1C(C)(C)C 27823492 GBCSKHPONWLKFM-UHFFFAOYSA-N 381.563 4.703 0 40 GJAB O[C@@H](COc1ccc(Cl)cc1)CN(Cc1ccc(F)cc1)Cc1ccco1 28580895 CDJKXJHBNJXTCH-LJQANCHMSA-N 389.854 4.514 0 40 GJAB CCOC(=O)c1cc(NC(=O)CCCOc2ccc(C)cc2)ccc1Cl 30862034 UVYDFJRZQMVIQO-UHFFFAOYSA-N 375.852 4.623 0 40 GJAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(CSc2ccccc2)cc1 31037975 FWHVVBHRJWSJJV-LJQANCHMSA-N 391.492 4.549 0 40 GJAB CCOc1ccc(-c2nc(CC(=O)Nc3ccc(F)c(F)c3F)cs2)cc1 32796408 UUWMHVKRWVDUQJ-UHFFFAOYSA-N 392.402 4.807 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc(C)c2)cc1 33342596 NVNWQDKDXPZORX-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(Cn2cccn2)cc1 40146221 PIHMNTONCXGGOI-UHFFFAOYSA-N 392.459 4.755 0 40 GJAB CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1ccccc1 40150511 XUHRBDCNGGNNPY-UHFFFAOYSA-N 377.444 4.984 0 40 GJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccccc1CCc1ccccc1 44872510 APMPMPRBSHITIQ-UHFFFAOYSA-N 398.550 4.998 0 40 GJAB CCOC(=O)c1nc(CN2CCc3sccc3[C@@H]2c2cccs2)cs1 48009420 JSPZFJPQJLPKPR-MRXNPFEDSA-N 390.555 4.591 0 40 GJAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1(c2ccccc2)CC1 49580942 DVZNRQVOOVCHHY-JOCHJYFZSA-N 381.479 4.695 0 40 GJAB COc1ccc([C@@H](NCC(=O)N(Cc2ccco2)c2ccccc2)C(C)C)cc1 49625239 YQHFAMWPMPQEDJ-DEOSSOPVSA-N 392.499 4.808 0 40 GJAB CCOC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(C)cc1 62715884 ZNSUNLBQCRZWKJ-DHZHZOJOSA-N 375.262 4.913 0 40 GJAB CCc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)cc1 64471745 VAVLTFGFEREEOS-UHFFFAOYSA-N 377.513 4.730 0 40 GJAB CN(C)CC1CCN(c2ccc(NC(=O)C/C=C/c3ccc(F)cc3)cc2)CC1 72310364 GRDVKABDNZIINB-ONEGZZNKSA-N 395.522 4.646 0 40 GJAB O=C(Cc1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72357914 MHKSIEAETKEKOE-QFIPXVFZSA-N 391.902 4.627 0 40 GJAB Cc1oc(-c2ccccc2)nc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O 95348714 RGXXQTMCLZSIPA-UHFFFAOYSA-N 386.238 4.715 0 40 GJAB Cc1c(F)cccc1-c1ccc(CNc2ccccc2N2CCC(O)CC2)o1 95960402 JCXFUQBHSUDWKU-UHFFFAOYSA-N 380.463 4.967 0 40 GJAB O=C(CCSc1ccccc1)Nc1ccccc1Cc1nc(C2CC2)no1 96119601 YOHMFUXGRGBKOY-UHFFFAOYSA-N 379.485 4.659 0 40 GJAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4cccc(C)c4)C3=C(O)C2)cc1 102578805 JTKACBHEXOEHJQ-JTSKRJEESA-N 386.455 4.660 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 103716766 MBIKYOSKMDRKIU-KRWDZBQOSA-N 394.515 4.601 0 40 GJAB CC1CCN(c2ccc(C(=O)Nc3cnn(Cc4ccccc4F)c3)cc2)CC1 141536974 CZHWUTAWPKRANY-UHFFFAOYSA-N 392.478 4.559 0 40 GJAB O=C(c1c(F)cccc1Cl)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219189597 QEHFBHLMYCLTIK-KRWDZBQOSA-N 393.867 4.528 0 40 GJAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)S1 222628373 MIPCOLXPXWDSPF-BKTGTZMESA-N 395.919 4.510 0 40 GJAB CN(CCCNC(=O)CCCSc1ccc(Cl)cc1)c1ccccc1 222697745 HETOHEXMCRFJMY-UHFFFAOYSA-N 376.953 4.855 0 40 GJAB COc1ccc2cc(S(=O)(=O)N[C@H](C)CC(C)(C)c3ccccc3)ccc2c1 223098258 SOTCZPJIFTYCQY-QGZVFWFLSA-N 397.540 4.883 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)COc1ccc(Cl)cc1Cl 223743479 QHEMHGBLFRYPHW-UHFFFAOYSA-N 382.287 4.691 0 40 GJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 224193405 VWIFFWSYGCUEQQ-LEWJYISDSA-N 376.529 4.950 0 40 GJAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1sccc1C 224554157 XGQLOSBGLFZFOZ-ROUUACIJSA-N 381.526 4.637 0 40 GJAB CSc1ccccc1NC(=O)c1ccc(C)cc1I 225020224 JEDILUAFHHJYAN-UHFFFAOYSA-N 383.254 4.574 0 40 GJAB CCOC(=O)c1cc(NC(=S)NCCCc2ccc(C)cc2)ccc1Cl 225389139 TXQXCGZFAIZLMN-UHFFFAOYSA-N 390.936 4.744 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NCCCSC2CCCCC2)c1 225591269 QWWSLJZCYQAUHX-UHFFFAOYSA-N 380.579 4.606 0 40 GJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCC(Cc2ccccc2)CC1 225876505 VAHQNEODIQQHSW-LJQANCHMSA-N 377.528 4.814 0 40 GJAB NNc1nc2c(Br)cc(C34CC5CC(CC(C5)C3)C4)cc2s1 226302868 JOSXHYMUUNOFGK-UHFFFAOYSA-N 378.339 4.812 0 40 GJAB Nc1nc2c(Br)cc(NC(=O)c3ccc(Cl)cc3)cc2s1 226310372 PPUXRGAQANPNFV-UHFFFAOYSA-N 382.670 4.547 0 40 GJAB COc1ccc2cc([C@H]3OCC[C@@]45C[C@@H](C[C@H]34)C(C)(C)[C@@H]5NC(C)=O)ccc2c1 257270806 MVSYXQRLQSTQBE-SZKNBXHCSA-N 393.527 4.867 0 40 GJAB Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1C 408621958 NRRNTNMKYVVROP-UHFFFAOYSA-N 392.421 4.940 0 40 GJAB Cc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 408624438 UDIWQAHBZFHTCD-UHFFFAOYSA-N 376.481 4.701 0 40 GJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc2cc(C(=O)O)ccc2n1CC 575065328 GFTWOWBYLPHDAB-FPOVZHCZSA-N 391.515 4.913 0 40 GJAB Cc1cc(C)cc(-c2cc(NC(=O)[C@@H]3CCN(c4ccccc4Cl)C3)n[nH]2)c1 1570721000 IOVZAVDUUPEDDQ-MRXNPFEDSA-N 394.906 4.812 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)CCc2ccccc2F)CN1c1cccc(F)c1 1615127576 SDQWANWXCAVVEH-XMMPIXPASA-N 398.497 4.948 0 40 GJAB O=C(Oc1cc(=O)n(-c2ccccc2)c2ccccc12)c1ccc(Cl)cc1 704359 MZDZHHPCHVVACP-UHFFFAOYSA-N 375.811 4.863 0 40 GJAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(OC)cc1OC 955144 QEDFFQUTANZUCQ-UHFFFAOYSA-N 380.444 4.735 0 40 GJAB c1ccc2/c(=N/c3ccc4c(c3)OCO4)cc(-c3ccc4c(c3)OCO4)oc2c1 1106371 ZZUWJTHSMFPUOG-JJIBRWJFSA-N 385.375 4.790 0 40 GJAB biogenic Cc1nc(C(=O)Nc2ccccc2Cl)nn1-c1cc(Cl)ccc1Cl 1385693 SMMAZNOZQMRNFS-UHFFFAOYSA-N 381.650 4.788 0 40 GJAB COc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4c(C)cccc4cc23)cc1 2419092 QQHQVIDNCVWJJP-UHFFFAOYSA-N 388.471 4.810 0 40 GJAB Cc1ccc(NC(=O)CSCc2cc(=O)oc3c(C)c(C)ccc23)cc1C 2651807 WVKKOSPCUBQSRP-UHFFFAOYSA-N 381.497 4.899 0 40 GJAB CCCc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2OC)cc1 3361806 NAUJEOBXRNDOQS-OAHLLOKOSA-N 381.501 4.592 0 40 GJAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(Br)cc1 4223983 QVIXCQKXRZTODY-UHFFFAOYSA-N 387.258 4.717 0 40 GJAB Cn1c2ccccc2c2cc([C@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)ccc21 4698104 YJGCVRRNFIOBIP-QGZVFWFLSA-N 395.414 4.879 0 40 GJAB CC(C)(C)c1ccc(-c2nnc3c4cnn(-c5ccc(F)cc5)c4ncn23)cc1 5219782 ZDTKRAIKZXJFAK-UHFFFAOYSA-N 386.434 4.567 0 40 GJAB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Br)o3)S2)cc1C 5589067 PBIMWQLKQPCUHL-JYRVWZFOSA-N 377.263 4.551 0 40 GJAB CCOc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc(OC)cc2)cc1 6870312 MZPQQOCWSFDGDL-UHFFFAOYSA-N 380.488 4.756 0 40 GJAB Cc1ccc(S[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 6966371 ZTLXCPHDGHMZAP-QGZVFWFLSA-N 388.964 4.786 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1OC 7599206 CHCZRILXMTZRAU-UHFFFAOYSA-N 380.425 4.826 0 40 GJAB COc1ccc(C)cc1CSc1nc(-c2ccccc2Br)n[nH]1 7832727 ZZYRYRPMLQWVJO-UHFFFAOYSA-N 390.306 4.844 0 40 GJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 7882068 ZPWHBDZCYZZSMW-TZMCWYRMSA-N 377.271 4.542 0 40 GJAB COc1ccc2c(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)coc2c1 8269466 XDBLNZGQUPQODI-UHFFFAOYSA-N 379.412 4.664 0 40 GJAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3OC)o2)cc1 8314431 PHAOJVGUARKDIC-ZDUSSCGKSA-N 384.457 4.507 0 40 GJAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc2ccccc2c1 8411200 XBXGSKGQOOIAKE-UHFFFAOYSA-N 386.373 4.569 0 40 GJAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(C)cc2C)cc1 8476428 OWJGWNCLFPERLW-UHFFFAOYSA-N 396.494 4.790 0 40 GJAB O=C(Nc1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1)C1CC1 11181499 LNFUAVCVTZYHSR-UHFFFAOYSA-N 392.480 4.987 0 40 GJAB CCCCOc1ccc(-c2nonc2NC(=O)c2ccccc2OCC)cc1 11915571 WGPKHUMJRGDHRS-UHFFFAOYSA-N 381.432 4.567 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccc(F)c(Cl)c2)c1 12943299 KCSBYSQQOXVQGA-IUYMFKLXSA-N 389.854 4.873 0 40 GJAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1cccc(Cl)c1 13563885 FJKIJWXMJVJCFP-CQSZACIVSA-N 379.847 4.822 0 40 GJAB CCCn1c(SCC(=O)Nc2ccc(O)cc2)nc2cc(Cl)ccc21 15497114 PENPTZJCZBIUCX-UHFFFAOYSA-N 375.881 4.536 0 40 GJAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC(c1ccccc1)c1ccccc1 15583105 DOKKYUDRGLGUNG-WUKNDPDISA-N 379.463 4.791 0 40 GJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cn(C)nc3C)no2)cc1 19583861 HFRXJQLKCAOMKN-OAQYLSRUSA-N 380.492 4.509 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20145170 DNINNCZQJQCESB-NYYWCZLTSA-N 383.831 4.753 0 40 GJAB O=C(Nc1ccc(C(=O)Nc2ccccc2N2CCCCC2)s1)c1ccco1 23683720 OYIMSDSRLIMXTE-UHFFFAOYSA-N 395.484 4.836 0 40 GJAB CC(C)(C)SCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 24976998 UNDGYJCYCCOIMO-UHFFFAOYSA-N 379.529 4.687 0 40 GJAB O=C(/N=c1/[nH]c2ccccc2s1)c1cc(-c2ccccn2)nc2ccccc12 28838999 XLHPCRABWMBWNV-UHFFFAOYSA-N 382.448 4.581 0 40 GJAB CCc1cccc2c(C3=CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)c[nH]c12 32754300 LONSEOATIGZIFF-UHFFFAOYSA-N 390.483 4.677 0 40 GJAB O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1cccc2ccccc12 35313153 VPKHMNRUKCIFQM-UHFFFAOYSA-N 390.458 4.512 0 40 GJAB Cc1nn(C)c(C)c1CNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 36614210 MUECIXXAAXUBEE-UHFFFAOYSA-N 395.816 4.778 0 40 GJAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Cl)cc1Cl 38500780 ZIZGKIXOHAFWDR-UHFFFAOYSA-N 394.233 4.969 0 40 GJAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1)c1ccccc1F 40407010 OZNQLOYWOCXMEU-UHFFFAOYSA-N 375.852 4.875 0 40 GJAB Cn1c(-c2ccco2)nn(CN(Cc2ccc3ccccc3c2)C2CC2)c1=S 48365304 XFENRRSBNUOKLL-UHFFFAOYSA-N 390.512 4.986 0 40 GJAB CS(=O)(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 57722425 LGMIRDHCEKEKPF-HXUWFJFHSA-N 390.508 4.516 0 40 GJAB CCCCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 57997367 QIBLPMUCXWBPAO-UHFFFAOYSA-N 393.462 4.931 0 40 GJAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(Cl)c(Cl)c1 58370034 SZEIOCWXKSYDSB-UHFFFAOYSA-N 378.303 4.699 0 40 GJAB O[C@@H](CNc1nc(C2CC2)nc2scc(-c3ccccc3)c12)C(F)(F)F 58541893 VAEULYVCIFYGCC-ZDUSSCGKSA-N 379.407 4.571 0 40 GJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CC[C@H]1CCCCO1 71894035 ANPOSTQCNVUFHM-PGRDOPGGSA-N 394.515 4.808 0 40 GJAB COc1cccc(Cc2cccc(C3CCN(C(=O)C4CCCC4)CC3)n2)c1 72349650 FOMRBXZWVNLDSG-UHFFFAOYSA-N 378.516 4.577 0 40 GJAB O=C(CCOc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72358268 ILVPNFVGROXNNG-DEOSSOPVSA-N 386.495 4.805 0 40 GJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(O)cc1 101996689 CYSQSVAGOLJPOX-NVPYSNMXSA-N 395.458 4.635 0 40 GJAB COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc(OC)c1OC 102717981 PNTDIVCPTMVFSF-GOSISDBHSA-N 398.459 4.859 0 40 GJAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 216240682 MDXGGGGZUNBMEQ-QGZVFWFLSA-N 397.496 4.917 0 40 GJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1F 216351620 QBAFXMAXICMJNQ-MRXNPFEDSA-N 375.509 4.766 0 40 GJAB O=C(c1ccccc1Br)N1CCS[C@H](c2ccccc2F)CC1 219091569 YXKAYBJWMHHOGC-KRWDZBQOSA-N 394.309 4.909 0 40 GJAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OC 222964486 MCYYCGHBXGANCK-GOSISDBHSA-N 399.531 4.652 0 40 GJAB C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCCC2 223010556 IQAVAQFBRXCGMS-CQSZACIVSA-N 377.406 4.840 0 40 GJAB CC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)CCCC2 223089336 GTCBIDOLAARRGJ-JOCHJYFZSA-N 376.500 4.573 0 40 GJAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCC 223345763 GOYSSQZAKRISQV-QHCPKHFHSA-N 380.532 4.863 0 40 GJAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(N2CCCC2)nc1 223992821 GMDAOFQRFPJIKC-UHFFFAOYSA-N 394.588 4.870 0 40 GJAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1 224968630 UYNMMNRHTCAHMP-UHFFFAOYSA-N 391.559 4.836 0 40 GJAB CC(C)Sc1nnc(NC(=O)CCc2ccc(Cl)c(Cl)c2)s1 225341410 YLJUWZCZKFWDHY-UHFFFAOYSA-N 376.334 4.917 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 408558590 SCHHBEFMPQAABH-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Br)c(Cl)c1 408677255 AVESAGUQDIUEDM-JTQLQIEISA-N 384.657 4.517 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(C)c1 408678307 FISZHKKLBFASGV-IBGZPJMESA-N 377.937 4.855 0 40 GJAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccc(F)cc2)n1 409386002 PUXSTQJPZIFZTB-UHFFFAOYSA-N 387.867 4.975 0 40 GJAB OCCCN1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 585263080 JEMAGCODBWCNHM-UHFFFAOYSA-N 394.544 4.511 0 40 GJAB Cc1cc(F)ccc1CC(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615159119 SYSXNEQOYPYULX-XMMPIXPASA-N 398.497 4.866 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1 944098 JQDQOCDXPUSQIC-AWEZNQCLSA-N 385.485 4.757 0 40 GJAB aggregator Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2ccc(Cl)cc2)s1 1342199 IFGLBDPXGFMSHR-UHFFFAOYSA-N 390.936 4.806 0 40 GJAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(N3CCc4ccccc43)ncc21 2405308 WZISPANGNCHOIH-INIZCTEOSA-N 375.859 4.737 0 40 GJAB Cc1sc2ncnc(Sc3ccccc3C(=O)NCc3ccco3)c2c1C 2644550 LYSVUZNHPPYJJG-UHFFFAOYSA-N 395.509 4.982 0 40 GJAB O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCCC1 3213781 MZRNPVMMFFYDMP-LJQANCHMSA-N 380.315 4.556 0 40 GJAB COc1cc2c(cc1NC(=O)[C@H](C)Nc1ccccc1CO)oc1ccccc12 3305734 FSTIDSDNELCRPX-AWEZNQCLSA-N 390.439 4.526 0 40 GJAB Cc1ccccc1-n1c(SCc2c(C)noc2C)nnc1-c1cccnc1 3366147 GBPTUAGYOVBPJE-UHFFFAOYSA-N 377.473 4.535 0 40 GJAB Cc1cc2oc(=O)c(CC(=O)NC3CC3)c(C)c2c2occ(-c3ccccc3)c12 4090157 UDPCNIWJOHMCLJ-UHFFFAOYSA-N 387.435 4.644 0 40 GJAB biogenic CCCCNC(=S)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 4132657 GPPPNTPEFPPQOF-UHFFFAOYSA-N 385.577 4.564 0 40 GJAB COc1ccc2c(c1)C(c1cccc(Cl)c1)=NNC(c1ccc(F)cc1)=N2 4161636 FTMQQMAADFLSDO-UHFFFAOYSA-N 379.822 4.922 0 40 GJAB CCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1cccs1 4516404 MMBVIAJRNRNAMZ-UHFFFAOYSA-N 387.574 4.904 0 40 GJAB COc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)C2CCCC2)cc1 4858976 COLJTKZQVADOOW-UHFFFAOYSA-N 394.544 4.756 0 40 GJAB Cc1ccc(-c2n[nH]c(CNC(=O)N(c3ccccc3)c3ccccc3)n2)cc1 5001863 YNZBBKJFGJGRPL-UHFFFAOYSA-N 383.455 4.828 0 40 GJAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl 5100287 CFSHSZBJCCTXPY-OSPHWJPCSA-N 388.231 4.690 0 40 GJAB Cc1cc2nc(N(CCN(C)C)C(=O)CSc3ccccc3)sc2cc1C 5152632 MXGYYSBBOLGBPH-UHFFFAOYSA-N 399.585 4.600 0 40 GJAB Cc1ccc(-c2ccsc2C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1 5562733 GCVPZUJLTZILRI-MRXNPFEDSA-N 391.492 4.858 0 40 GJAB CC(=O)Nc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 5613320 NRUSEHJKXCKVQC-UHFFFAOYSA-N 387.650 4.623 0 40 GJAB O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1cccc(Cl)c1 5700594 KXXJLJPCJLBCSZ-UHFFFAOYSA-N 395.842 4.715 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1n[nH]c2nc3ccccc3n12 6509096 DDHDZZVJTLAKBC-KGLIPLIRSA-N 393.516 4.843 0 40 GJAB Cc1c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)oc2c1ccc1ccccc12 6994745 UIZOUDXTUNLENV-UHFFFAOYSA-N 394.377 4.541 0 40 GJAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccc(Cl)cc1F 7179259 QSSFJKSZHAQOJU-GFCCVEGCSA-N 389.883 4.999 0 40 GJAB Cc1cc(-c2ccccc2)nc(SCC(=O)c2ccc3c(c2)OCCCO3)n1 7625318 NWOJOXVKPFBXSJ-UHFFFAOYSA-N 392.480 4.588 0 40 GJAB CCOc1ccccc1N1C[C@H](C(=O)Oc2ccccc2[C@@H](C)CC)CC1=O 7929374 PBAZRWWHPMDUKN-DLBZAZTESA-N 381.472 4.557 0 40 GJAB CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(C)c1-c1ccccc1 8080264 LZTKRNZZTUEQOF-XDOYNYLZSA-N 386.904 4.719 0 40 GJAB O=C(COc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8915842 NOXBCRNNZNWTSJ-LJQANCHMSA-N 394.298 4.580 0 40 GJAB CC(C)N(C(=O)CSc1nccn1C)c1ccc(Nc2ccccc2)cc1 9376407 HRZJALOBBBRSEJ-UHFFFAOYSA-N 380.517 4.697 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(CC(C)C)C(=O)c3ccc(Cl)cc3)cc2c1 9446428 JBGCRUIMLKPKKM-UHFFFAOYSA-N 382.891 4.788 0 40 GJAB CSCC[C@@H](NC(=O)NCC1CCCCC1)c1nc2ccccc2s1 10224548 CDBBQERMOWDDQI-MRXNPFEDSA-N 377.579 4.970 0 40 GJAB C[C@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 10464730 JLBXNCXAHPSCNU-LBPRGKRZSA-N 378.350 4.892 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)c1cnn(-c2ccccc2)c1C(F)(F)F 10958258 KWMKARQCPDTMGL-UHFFFAOYSA-N 383.732 4.936 0 40 GJAB O=C(CCCc1ccccc1)N1CCc2[nH]c3c(Br)cccc3c2C1 12296670 LLYGJTKJVTUZTR-UHFFFAOYSA-N 397.316 4.838 0 40 GJAB biogenic Cc1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)c2cccnc12 12546043 GHLMOYYMHTUZHU-UHFFFAOYSA-N 385.423 4.748 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)c3ccc([S@@](C)=O)cc3)ccc21 12831662 LMIRSCAOZPKNPQ-MHZLTWQESA-N 376.481 4.804 0 40 GJAB O=C(O)C/C(=C\c1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1 13026067 ZQQXYEXHHALFKT-LICLKQGHSA-N 375.453 4.556 0 40 GJAB O=C(N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 13365535 LBKAVIIAGJSACU-LJQANCHMSA-N 389.842 4.909 0 40 GJAB COc1ccccc1-c1noc(CN(C)Cc2cccc(Cl)c2Cl)n1 15299646 MASMUTQPZVNWSA-UHFFFAOYSA-N 378.259 4.684 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 15578127 WTXHZNWWRWZFMG-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB COc1ccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)c(OC)c1 17121591 ATPHIXHHDACUEB-UHFFFAOYSA-N 395.850 4.538 0 40 GJAB Cc1nc2sc([C@H](c3ccccc3Cl)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 17144226 DMOMWXGJLHUGAR-OZVIIMIRSA-N 390.940 4.526 0 40 GJAB Cc1ccccc1C(=O)N1CCC[C@@H](c2nnc(-c3nccc4ccccc34)o2)C1 19236772 RUTDWUDCNAVUEX-GOSISDBHSA-N 398.466 4.613 0 40 GJAB CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)c(C)n1 19524546 VUISWQKNKXDMJL-JOCHJYFZSA-N 394.519 4.992 0 40 GJAB COc1ccccc1N1COc2ccc3c(c2C1)OC1(CCCCC1)CC3=O 20739577 NBCJGPNYEQATCH-UHFFFAOYSA-N 379.456 4.720 0 40 GJAB Cc1ccc(-c2nnc(SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)n2C)cc1 21098827 BAFRDJWWADGHRN-UHFFFAOYSA-N 390.512 4.541 0 40 GJAB Cc1csc(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 21465320 VSTXVKPFRKSOHU-SECBINFHSA-N 397.497 4.973 0 40 GJAB CCn1cc(C(=O)Nc2cc(F)ccc2F)c(=O)c2cc(C(F)(F)F)ccc21 22237058 DATAKBFYLOIVGL-UHFFFAOYSA-N 396.315 4.571 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(C)cc1 22522116 KNFUSZQIDNXFDO-GOSISDBHSA-N 377.937 4.855 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 27839015 BKGXRKSVNNYPQC-HOTGVXAUSA-N 396.409 4.721 0 40 GJAB CCOc1ccc(-c2nc(-c3cccc(NC(=O)c4ccoc4C)c3)no2)cc1 28221866 RCEYHLMCGXPXHG-UHFFFAOYSA-N 389.411 4.956 0 40 GJAB Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)c(C)c2cc1C 28287038 VMGPMEFTJFSQNR-SFHVURJKSA-N 382.529 4.986 0 40 GJAB C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1Cl)c1ccccn1 28293723 OKVMSRJFPQZWQR-OAHLLOKOSA-N 384.838 4.875 0 40 GJAB CCc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1 28534856 ZIUXTVLIPWZUHT-UHFFFAOYSA-N 389.503 4.806 0 40 GJAB CC(=O)NCc1ccc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cc1 29266284 VLIVSISMFVTMKN-UHFFFAOYSA-N 393.512 4.624 0 40 GJAB CCc1c(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cnn1-c1ccccn1 31813462 UNURFVMHCYYNCV-GFCCVEGCSA-N 389.286 4.628 0 40 GJAB O=C(COc1ccccc1)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623010 YBJHIQCVMUHYEU-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(Cl)ccc1Cl 32817144 IAVROJBYRFQPCL-UHFFFAOYSA-N 398.311 4.962 0 40 GJAB Cc1cccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c1 33012835 YIKNTOTVPAUGKG-UHFFFAOYSA-N 385.423 4.876 0 40 GJAB COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O)/C(=C/c3cnn(C)c3C)C[C@H]12 36005148 CYLDEGQGXAFYIQ-DJRBHIHUSA-N 392.543 4.648 0 40 GJAB COc1ccccc1CN(CCCn1ccnc1)Cc1[nH]c2ccccc2c1C 36740341 IWHUPSAHWYWASZ-UHFFFAOYSA-N 388.515 4.774 0 40 GJAB O=C(NCc1ccc(CN2CCCC2)cc1)/C(=C/c1ccco1)c1ccccc1 44857217 UNTYARQNENJVGW-JJIBRWJFSA-N 386.495 4.732 0 40 GJAB O=c1[nH]c(N2CCc3ccccc3C2)nc2c(-c3ccccc3Cl)csc12 48986608 ABJDKGBVGZVFAI-UHFFFAOYSA-N 393.899 4.868 0 40 GJAB CCOc1ccc2c(c1)CN(C(=O)Nc1ccccc1N1CCCCC1)CC2 58414043 POINYGOVINXLFW-UHFFFAOYSA-N 379.504 4.666 0 40 GJAB CCOC(=O)c1sc2ncnc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2c1C 71795513 KWLWEDYYNDSHCL-WDEREUQCSA-N 387.427 4.709 0 40 GJAB CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72214414 PZFYRXPSSCNJNS-SFHVURJKSA-N 381.476 4.796 0 40 GJAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(Cc3ccc(Cl)cc3)cn2)o1 72374144 GIRLTJOFPGJVLF-FQEVSTJZSA-N 395.890 4.908 0 40 GJAB COc1cc(CNc2ccccc2N2C[C@H](C)O[C@@H](C)C2)ccc1OC(C)C 84713942 UCZMCTHWRGCBRM-ROUUACIJSA-N 384.520 4.708 0 40 GJAB CC(=O)Nc1ccccc1[C@H]1CC(c2cccs2)=NN1C(=O)c1cccs1 95946126 NAETWNWWNBFBTE-QGZVFWFLSA-N 395.509 4.760 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@H]2C3)cc1C 100519864 CVIGJCRAGCWXSN-ZZTDLJEGSA-N 388.511 4.936 0 40 GJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc(O)c1 101996672 MSMNYVHIMRGVNV-KIHHCIJBSA-N 395.458 4.635 0 40 GJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@@H](c4cccs4)C3=C(O)C2)cc1 102751894 JHSVPQOMIMATBU-XIKOKIGWSA-N 394.456 4.769 0 40 GJAB O=C1c2ccccc2C(=O)N1Cc1cc2ccc(OCc3ccccc3)cc2o1 201193626 AHDULCYLUWIUGT-UHFFFAOYSA-N 383.403 4.808 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219317986 OAJXXFAJQUOHCG-WOJBJXKFSA-N 383.488 4.580 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc2ccccc2c1 223622504 SFDAZILHWHEJGE-NRFANRHFSA-N 383.875 4.846 0 40 GJAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)c1 224295338 FHZCFGXEAXQFAM-SFTDATJTSA-N 376.529 4.522 0 40 GJAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1)c1ccccc1 224874930 FVAQMJDJPZMKPL-AWEZNQCLSA-N 399.288 4.914 0 40 GJAB CCc1cccc(CC)c1NC(=O)c1ccc(C)cc1I 225016599 VJQROVBRSWSKBY-UHFFFAOYSA-N 393.268 4.977 0 40 GJAB CC(C)(C)c1ccccc1O[C@H](Cc1ccc(Br)cc1)C(=O)O 225065609 KDVNYSYMYYJNAF-QGZVFWFLSA-N 377.278 4.821 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(OC)CCCCCC2)ccc1O[C@@H](C)CC 225806363 OPOFKFSHXYHNKA-INIZCTEOSA-N 391.508 4.719 0 40 GJAB Cc1ccc2c(c1)[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)CC(C)(C)O2 225813983 MWPXVILOXGRKBS-QGZVFWFLSA-N 393.405 4.811 0 40 GJAB C[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccccc1F 257270466 MUIBWFCFJRHEOR-QCDNPXNSSA-N 384.447 4.874 0 40 GJAB CC(C)(C)OC(=O)N1CCc2c(Br)cc(Br)cc21 514269710 IHMQQYLAOCCBES-UHFFFAOYSA-N 377.076 4.509 0 40 GJAB O=C(N[C@@H]1CCc2c[nH]nc2C1)c1sc2cc(C(F)(F)F)ccc2c1Cl 531830621 BFWFEEMSXVXPOE-SNVBAGLBSA-N 399.825 4.584 0 40 GJAB CC(C)c1ccccc1OCCC(=O)N1CCc2cc(Br)ccc21 1534312042 MUYBMFDSQIRIKJ-UHFFFAOYSA-N 388.305 4.931 0 40 GJAB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)c(C)c1 870438 NZPFIGHYCGDPMD-UHFFFAOYSA-N 396.516 4.646 0 40 GJAB CCOc1ccc2nc(SCC(=O)N3CCc4ccccc43)c(C)cc2c1 933018 JUMDXZVJYFNECI-UHFFFAOYSA-N 378.497 4.623 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 1175063 LVWWWCIOTIKXLZ-LICLKQGHSA-N 389.860 4.988 0 40 GJAB CCOC(=O)c1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccccc1 1509248 OXYUJQFOBDSEDI-UHFFFAOYSA-N 386.860 4.893 0 40 GJAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c(C)c1 1510653 VYCYPXQWSXYAHH-MXXWWZHRSA-N 379.459 4.700 0 40 GJAB biogenic CCCCCCn1c(N)c(C(=O)OC[C@H](C)CC)c2nc3ccccc3nc21 2386826 NLLFDIUEBAOBMB-OAHLLOKOSA-N 382.508 4.950 0 40 GJAB COCCn1c(SCc2cccc(F)c2)nnc1-c1c[nH]c2ccccc12 4138671 XIHWZNSJDXNLLI-UHFFFAOYSA-N 382.464 4.504 0 40 GJAB COc1ccccc1C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4162431 BTADCJAQMJEXSA-UHFFFAOYSA-N 386.407 4.946 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2ccccc2)cc1 4322769 BHVTZQHLYXRWRB-FQEVSTJZSA-N 390.405 4.594 0 40 GJAB Fc1cccc(Cl)c1CSc1ccc2nnc(-c3cccs3)n2n1 4326770 GLZFIRVNDGWOEV-UHFFFAOYSA-N 376.869 4.938 0 40 GJAB O=C(Nc1nc2c(F)cccc2s1)c1ccc(C(=O)c2ccccc2)cc1 4331541 GEFDKWVLKHHTSO-UHFFFAOYSA-N 376.412 4.919 0 40 GJAB Cc1ccc(-n2nnnc2SCC(=O)n2c3ccccc3c3ccccc32)cc1 4668946 KBDIDMRPKPDLAB-UHFFFAOYSA-N 399.479 4.511 0 40 GJAB COc1cc(SC)ccc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4979747 TZIPYEXNSAFSEK-IDHHARJASA-N 394.533 4.578 0 40 GJAB O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc(F)cc1 4993474 XJYOOCLDVZXFOA-UHFFFAOYSA-N 381.388 4.506 0 40 GJAB CCOc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 5032134 FPZDGAUUHIAQRM-JOCHJYFZSA-N 387.435 4.792 0 40 GJAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccccc1Cl 5779770 BXBIKFTYBBMTMC-UHFFFAOYSA-N 383.806 4.728 0 40 GJAB Cc1ccc(C)c(COC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)c1 6079232 YJZNAZBDRPKWGE-UHFFFAOYSA-N 387.479 4.933 0 40 GJAB O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1F 6354543 HSYAPSDEHBDBKA-LJQANCHMSA-N 385.341 4.641 0 40 GJAB COc1ccc(-c2n[nH]c(SCCCC(=O)Nc3c(C)cccc3C)n2)cc1 6586736 LNFJXZYLYTXESK-UHFFFAOYSA-N 396.516 4.608 0 40 GJAB O=c1[nH]c2ccc(NCc3cccc(OCc4ccccc4Cl)c3)cc2[nH]1 6670401 AXGUPLFOBGBZHO-UHFFFAOYSA-N 379.847 4.701 0 40 GJAB C[C@@H](NC(=O)CSc1ccc2c(c1)OCCCO2)c1cccc2ccccc12 7021730 VFQWYCPLANDMQH-MRXNPFEDSA-N 393.508 4.971 0 40 GJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccccc2Cc2ccccc2)CC1=O 7398686 NTUAZVSOGCTOPV-AUSIDOKSSA-N 398.506 4.826 0 40 GJAB COc1cc2nc(/C(Cl)=C/c3ccc(C(C)C)cc3)[nH]c(=O)c2cc1OC 7502896 CEWHSSGXJBFVNB-SXGWCWSVSA-N 384.863 4.801 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccc(Cl)cc3)no2)c(OC)c1 7741503 OMQZLBIUQCJQHL-SFHVURJKSA-N 399.878 4.744 0 40 GJAB CCCc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 8735491 IRWUXXBZXOXJSV-UHFFFAOYSA-N 378.472 4.589 0 40 GJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 11484038 JGFWBCPQNXCCCS-UHFFFAOYSA-N 381.438 4.598 0 40 GJAB Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)cs1 12128103 BXSNWDANNUFPFB-INIZCTEOSA-N 396.560 4.934 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Br)c1nc(-c2cccnc2)no1 12733551 WPUBYUYUCDIZQB-VIFPVBQESA-N 380.629 4.688 0 40 GJAB COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 12812075 AEXUKCRQRJWJQM-QGZVFWFLSA-N 386.300 4.528 0 40 GJAB O=C1CCCC[C@@H]2[C@H](CCN2Cc2cccc3ncccc23)N1Cc1ccccc1 19713865 JHCWSNADUJPDPL-RPBOFIJWSA-N 399.538 4.781 0 40 GJAB CCCOc1ccc(C(=O)Nc2nc([C@@H]3COc4ccccc4O3)cs2)cc1 20462961 UEBAIELJMNRJGH-IBGZPJMESA-N 396.468 4.697 0 40 GJAB CCc1ccccc1Nc1nn(-c2ccc(OC)cc2)c2c1C(=O)C[C@H](C)C2 20796954 STHVSOPJPQWLFO-OAHLLOKOSA-N 375.472 4.952 0 40 GJAB CC(C)COc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1 24887377 WHWMFNRMNBVINO-INIZCTEOSA-N 387.549 4.662 0 40 GJAB Cc1cccc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)c1C 33063762 MXNRWUFLJKWKGP-UHFFFAOYSA-N 380.513 4.634 0 40 GJAB Cc1cccc(NC(=O)CSc2ncnc3c(-c4cccc(C)c4)c[nH]c23)c1 33169964 AACZGYWFPXRDCU-UHFFFAOYSA-N 388.496 4.973 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 33475630 ZIIIDMAHAJODHY-SFHVURJKSA-N 388.895 4.723 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 35524160 HKTMXUIWLFWKLH-UHFFFAOYSA-N 386.480 4.613 0 40 GJAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1sc2ccccc2c1Cl 36392911 PIIIPVBVTPSYIW-CYBMUJFWSA-N 396.903 4.969 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](NCCc1ccc(F)cc1)c1ccccc1 38431264 KYDNVNUQTKALBP-HSZRJFAPSA-N 392.474 4.655 0 40 GJAB COc1ccc(C(=O)[C@H](OC(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1 39062228 MTNUOOJIYAKURM-JOCHJYFZSA-N 397.471 4.687 0 40 GJAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccccc1Br 45888953 JQWDZCOLAIPYDG-UHFFFAOYSA-N 376.279 4.510 0 40 GJAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4F)ccc32)cc1 46078553 IGKVVUAEAAMVEZ-UHFFFAOYSA-N 388.442 4.979 0 40 GJAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1Cl 57181396 JCXKYDNRDGEQPQ-UHFFFAOYSA-N 380.271 4.689 0 40 GJAB Fc1ccc(-c2nc(NCCc3ccccc3Cl)ncc2-c2ncc[nH]2)cc1 57761956 DNJFYLVNXIBHKS-UHFFFAOYSA-N 393.853 4.981 0 40 GJAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1nc(-c2ccccc2)c[nH]1 58173906 VWIRUQUXVYFRBN-MRXNPFEDSA-N 386.455 4.542 0 40 GJAB COc1ccc(-c2csc3ncnc(NC[C@@H](O)c4ccc(F)cc4)c23)cc1 58393295 XDQKZUKBSFGHEM-GOSISDBHSA-N 395.459 4.652 0 40 GJAB O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccnc(Cl)c1 84522659 UIWCZMQMKJWAOM-OAQYLSRUSA-N 378.859 4.579 0 40 GJAB Cc1nc(-c2cccs2)sc1CNC(=O)[C@H](C)Oc1ccccc1Cl 90592694 VAHYTOYUHRXQOH-LBPRGKRZSA-N 392.933 4.917 0 40 GJAB COc1cc2c(cc1NC(=O)/C=C\c1ccc3c(c1)OCO3)oc1ccccc12 96623725 OFKIXWCYZIQPLO-CLFYSBASSA-N 387.391 4.975 0 40 GJAB Cc1ccc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)c2cccc(C)c2)C3)cc1 100426298 WEVNUMKQHKRXEM-VXKWHMMOSA-N 391.515 4.651 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccc(OCc3ccccc3)cc2)CCC1 102750483 RYGYZROTYWIYCV-FQEVSTJZSA-N 388.427 4.884 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219322702 RGMBUCSAWDWHFH-KRWDZBQOSA-N 399.878 4.514 0 40 GJAB Cc1ccc(N2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 219862844 MPPZQEISMBKXRU-OAQYLSRUSA-N 378.516 4.630 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 222899192 CRGHVLFUMCLEFV-NHCUHLMSSA-N 397.515 4.834 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COCC)c2)cc1 224700746 KCXQFMAYFZYYBC-UHFFFAOYSA-N 399.487 4.831 0 40 GJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)(C)C)o2)c(OC)c1 224929722 LUNWQABKDYTXAQ-UHFFFAOYSA-N 380.444 4.554 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cc1Cl 225515432 XJWSVHBJDOFCGP-CQSZACIVSA-N 390.936 4.824 0 40 GJAB CCOCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c(C)n1 225896008 FHRRBSDKSLWQOQ-UHFFFAOYSA-N 394.556 4.611 0 40 GJAB Nc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1Br 226272486 DTLVWNPPDOCNNW-UHFFFAOYSA-N 393.590 4.956 0 40 GJAB CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cccs3)C[C@@H]21 227487103 FMVNODGSQFGOKT-UWJYYQICSA-N 377.469 4.784 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 257220383 DKPSYSRNARVPHZ-LJQANCHMSA-N 381.863 4.600 0 40 GJAB O=C(NCC1CCCCC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257306864 SWIBTZDJXMTVDN-UHFFFAOYSA-N 392.543 4.784 0 40 GJAB Cc1c(Cl)cccc1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408707466 BOLVEOPFUOFGAB-UHFFFAOYSA-N 392.886 4.535 0 40 GJAB Cc1cc(Br)cc(C)c1NC(=O)COC(=O)c1ccccc1Cl 409207003 YGYIRWXZSOUGGS-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 574109724 PCARYXNTUHACKL-DEOSSOPVSA-N 388.515 4.606 0 40 GJAB COC[C@@H]1CCN(C(=O)[C@@H]2[C@@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)C1 585138644 WLTQEJVLIIBEIM-WFIYQMLVSA-N 382.331 4.687 0 40 GJAB CCOC(=O)c1cnc(CC)nc1Nc1ccc(Oc2cccc(OC)c2)cc1 1559076808 QNAKWNSAZQDLDI-UHFFFAOYSA-N 393.443 4.760 0 40 GJAB O=C(Oc1ccc(Cl)cc1Br)c1ccc(Br)o1 676659 YWEJBUXKFUUPCN-UHFFFAOYSA-N 380.419 4.677 0 40 GJAB Cc1nc(C(=O)Nc2ccc(Cl)cc2)nn1-c1cccc(C(F)(F)F)c1 1401492 QDGBUXWPPKAOLG-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB CCCCCCc1cc2cc(C(N)=O)/c(=N/c3cccc(F)c3)oc2cc1O 2088966 WOUAULGMRGKBFL-LVWGJNHUSA-N 382.435 4.732 0 40 GJAB COc1cc(CNCCc2ccccc2)ccc1OCc1ccc(Cl)nc1 2181885 ZUWVDYUCNFGIJG-UHFFFAOYSA-N 382.891 4.655 0 40 GJAB CN(C)c1ccc([P@@](=O)(OCc2ccccc2)[C@H](O)c2ccccc2)cc1 2374789 OYXXYDUQEOSGFD-WXVAWEFUSA-N 381.412 4.564 0 40 GJAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)c(OC)c1 2405714 MVSZIESXWTZSRG-OYDLWJJNSA-N 399.506 4.711 0 40 GJAB CCc1ccc(-n2c(N)c(C(=O)O[C@@H](C)CC)c3nc4ccccc4nc32)cc1 2426329 KSIHFTCLYVIVNV-AWEZNQCLSA-N 388.471 4.674 0 40 GJAB O=C(COc1ccc(OCc2ccccc2)cc1)NCCc1ccc(Cl)cc1 2622018 LKVKBRBADAVFLB-UHFFFAOYSA-N 395.886 4.657 0 40 GJAB CC(C)CC(=O)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1 4078237 SNXNRVXLHDDDND-UHFFFAOYSA-N 375.441 4.834 0 40 GJAB CC(/C=C1\N=C(c2ccc3ccccc3c2)OC1=O)=C\c1ccc2c(c1)OCO2 4832976 LHQWNNGRFWUBPQ-MBOPZJHMSA-N 383.403 4.859 0 40 GJAB O=C(Nc1cccc(Cl)c1)NC1(C(=O)Nc2ccc(F)cc2)CCCCC1 4965388 OKYNWACVRJLRSW-UHFFFAOYSA-N 389.858 4.942 0 40 GJAB C[C@@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 5528133 LMCQZMDIVKVZMP-MRVPVSSYSA-N 383.300 4.531 0 40 GJAB O=C1S/C(=C/c2ccccc2)C(=O)N1CNc1ccc(Br)cc1 6756885 IIVGZXYBTPBQBC-XNTDXEJSSA-N 389.274 4.555 0 40 GJAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1cccc(N2CCCC2=O)c1 7491991 BSVLWAVAKDWWTE-UHFFFAOYSA-N 386.451 4.568 0 40 GJAB COc1ccc2oc(C(=O)N(C)Cc3ccc(Br)s3)c(C)c2c1 7778020 LRPUIVPSDUDIET-UHFFFAOYSA-N 394.290 4.846 0 40 GJAB FC(F)(F)c1nc(NC[C@H](c2ccco2)N2CCCCC2)c2ccccc2n1 7989436 PKQDUXJWSYWDPF-MRXNPFEDSA-N 390.409 4.881 0 40 GJAB O=C(c1cncn1-c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 8135794 MKUOYVJCKODCFV-UHFFFAOYSA-N 388.496 4.502 0 40 GJAB CCOc1ccccc1C(=O)N[C@@H](C(=O)Nc1cccc2ccccc12)C(C)C 8327911 NDABXCHHBSBPPR-JOCHJYFZSA-N 390.483 4.632 0 40 GJAB CC(=O)CCSc1nnc(COc2ccccc2Cl)n1-c1ccccc1 8394840 LSRLUWCUZBUAFD-UHFFFAOYSA-N 387.892 4.571 0 40 GJAB O=C(NC1CCCCC1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 8476801 OZNWUWKMDCAMDY-UHFFFAOYSA-N 398.869 4.789 0 40 GJAB CCOc1ccccc1NC(=S)N1CCC(c2nc3ccccc3o2)CC1 8829299 HJLOVNJTINJWPP-UHFFFAOYSA-N 381.501 4.803 0 40 GJAB Cc1nc(-c2ccc([C@@H](C)NS(=O)(=O)c3ccc(C)c(C)c3)cc2)cs1 10109474 FHOMUKPODCQVGO-OAHLLOKOSA-N 386.542 4.775 0 40 GJAB COc1ccc(/C(=C/c2nn3c(CC(C)C)nnc3s2)c2ccccc2)cc1 11278916 IGRJHENIZKLWJV-XMHGGMMESA-N 390.512 4.982 0 40 GJAB C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2nc3cccnc3s2)c1 11694522 OJOCLQOLDMACGR-CYBMUJFWSA-N 393.443 4.903 0 40 GJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1 11913744 SNVCTFMGOZBIOF-MRXNPFEDSA-N 395.459 4.547 0 40 GJAB O=C(NC1=NN(C(=O)Nc2ccccc2)C2(CCCC2)S1)Nc1ccccc1 12376722 JGHXSUWJNOJUJR-UHFFFAOYSA-N 395.488 4.630 0 40 GJAB CCn1c(-c2cccc(Cl)c2)nn(CN2CCc3sccc3C2)c1=S 12772856 XBVPSIDEHNUNET-UHFFFAOYSA-N 390.965 4.832 0 40 GJAB C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc2c(c1)OCO2 12922467 SPKXZNUXGHARAD-LBPRGKRZSA-N 379.437 4.527 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2OCc2ccccc2)c1 13687314 NHOGOCVAMWQETD-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB O=S(=O)(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccc(Cl)cc1 14236050 HMNXAGMRIBQTSA-UHFFFAOYSA-N 397.887 4.539 0 40 GJAB O=C(N[C@@H]1CCSc2ccccc21)c1cnn(Cc2ccccc2Cl)c1 14246833 QMYQNIPZMBQOML-GOSISDBHSA-N 383.904 4.552 0 40 GJAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)c1cccc2ccccc12 14404703 AELHVCYWXKIJAJ-UHFFFAOYSA-N 384.439 4.684 0 40 GJAB Cc1nc(COc2ccccc2/C=C/C(=O)NC[C@H](C)c2ccccc2)cs1 14484752 GTYLJQUOKUKUKN-UJGDBWEASA-N 392.524 4.964 0 40 GJAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CN2CCCCC2)cc1 17447248 LDZRRZVGAVOXFW-UHFFFAOYSA-N 385.511 4.911 0 40 GJAB O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2c1N1CCCCC1 20381065 HIUXMDXJXVGHAM-UHFFFAOYSA-N 386.904 4.711 0 40 GJAB Cc1ccc(-c2csc3ncc(C(=O)Nc4cccc(Cl)c4)c(=O)n23)cc1 20768079 VHYANUXESOGQJV-UHFFFAOYSA-N 395.871 4.637 0 40 GJAB CCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 21580365 KWAXRVPVFXMFCP-UHFFFAOYSA-N 387.439 4.890 0 40 GJAB Cc1cc(C)nc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)n1 28226228 RYZADEGAOIKIJH-UHFFFAOYSA-N 392.242 4.825 0 40 GJAB COC(=O)c1ccc(OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c(OC)c1 28855913 HMYFPXAJRLGICQ-UHFFFAOYSA-N 396.439 4.599 0 40 GJAB COc1ccccc1-n1c(-c2ccccc2)cnc1SCc1noc(C)n1 30509684 UYNOUFUZKBFGDL-UHFFFAOYSA-N 378.457 4.532 0 40 GJAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccc(C)c(C)c2)on1)c1ccccc1 32623338 RHKPRRAEVQMEBU-QFIPXVFZSA-N 391.515 4.771 0 40 GJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(Cl)c1C)O[C@@H](C)C2 32854016 HURUTYZIYUNRLK-JSGCOSHPSA-N 388.895 4.810 0 40 GJAB CSc1ccc(C)c(C(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)c1 32932480 QCARHCTTYGCBBL-NRFANRHFSA-N 390.508 4.827 0 40 GJAB Cc1cc2cc3c(N)c(C(=O)Nc4nc(C)c(C)s4)sc3nc2cc1C 35288738 JIZMGPRJNRFUSK-UHFFFAOYSA-N 382.514 4.974 0 40 GJAB Oc1cccc(-c2nc3cnccn3c2Nc2ccc(Br)cc2)c1 35615960 WALSMBJMGMPTTA-UHFFFAOYSA-N 381.233 4.608 0 40 GJAB CCCc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(Cl)cc1 36636047 FCCXYBGUQHLUEJ-UHFFFAOYSA-N 375.259 4.779 0 40 GJAB Cc1ccc(Sc2ccc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2)cc1C 48288174 NDTMPTKFDSYKKL-LEWJYISDSA-N 377.513 4.930 0 40 GJAB O=C(O)/C(=C/c1ccc(Br)cc1)Sc1nc2ccccc2[nH]1 50547833 DSUKLCBOJZHJTG-ZROIWOOFSA-N 375.247 4.543 0 40 GJAB Cc1ccc(OCCSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 59182125 HGGKAGUXCAQNSR-UHFFFAOYSA-N 388.492 4.865 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1Cl 59227203 JPLXBLKIICERGW-NSHDSACASA-N 397.689 4.947 0 40 GJAB Cc1ccsc1C(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 63853575 LQGIHAZPEHVFFC-UHFFFAOYSA-N 387.455 4.745 0 40 GJAB COc1cccc([C@H](C)N(Cc2csc(-c3ccoc3)n2)c2cnn(C)c2)c1 72313463 BUFYTAJIDKQHRO-HNNXBMFYSA-N 394.500 4.913 0 40 GJAB O=C(Cc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349012 PSXLBOYBLZJFPH-NRFANRHFSA-N 388.486 4.760 0 40 GJAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 72349831 COTSEHOFROTGMW-MRXNPFEDSA-N 393.512 4.542 0 40 GJAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc(-c2ccncc2)cs1 79484749 AODSSAYRPFBSJU-UHFFFAOYSA-N 395.875 4.511 0 40 GJAB Clc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)n2)c1 96112670 PFSUUXIDGRIYAM-NRFANRHFSA-N 392.890 4.785 0 40 GJAB biogenic,in-vitro O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 96627687 WMNASJRPHONPBO-HNNXBMFYSA-N 396.384 4.575 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C 100476999 SBFDSAWXXZJANB-JLCFBVMHSA-N 392.528 4.811 0 40 GJAB C[C@H](NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 103036394 HUJBDQZODZRTGQ-KCXPTXFHSA-N 393.483 4.577 0 40 GJAB O=C(CSc1ccncc1)N1CCS[C@@H](c2ccccc2Cl)CC1 206999839 LTOLBMQFCKGWMU-QGZVFWFLSA-N 378.950 4.534 0 40 GJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1C(C)C 223322801 MTBQJCVDTQEKTL-OAHLLOKOSA-N 395.952 4.961 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C 223362320 JQPGOJWZQSWPHF-KRWDZBQOSA-N 388.467 4.747 0 40 GJAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223407052 MHIBAUGPSKHKPC-NRFANRHFSA-N 386.923 4.736 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1cccc2ccccc12 223571570 LWAJTTNOFHDOON-QFIPXVFZSA-N 377.484 4.809 0 40 GJAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(OC)cc3)c2)cc1 224266854 VPVYZTPZLKXAQR-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB CCC1(CC)C[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 224320871 IAPOWKXXHVHOGY-GOSISDBHSA-N 393.936 4.842 0 40 GJAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccccc1Cl 224475837 LKVXIZFZCPJFTJ-UHFFFAOYSA-N 385.847 4.841 0 40 GJAB CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1Cl 224854367 QAQVLSAFGXTOEN-UHFFFAOYSA-N 393.892 4.718 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Br)cc2)cc1 225639842 JPPXIALMINYZON-CYBMUJFWSA-N 379.323 4.511 0 40 GJAB O=C1CC2(CCN(C(=O)Nc3ccccc3)CC2)Oc2cc3c(cc21)CCCC3 225825925 VEFDXDNCEBMGCY-UHFFFAOYSA-N 390.483 4.597 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCC)c(C(=O)OCC)c2)CCCCCC1 225852536 ADCLUEOKSBIQFP-UHFFFAOYSA-N 391.508 4.720 0 40 GJAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)C)ccc3o2)c(Cl)c1 408617595 ARFYXFYDTOESHY-UHFFFAOYSA-N 387.892 4.926 0 40 GJAB COc1ccccc1NC(=O)c1cc2ccccc2c(Br)c1OC 408619992 FXTPZQCQVVCRLC-UHFFFAOYSA-N 386.245 4.872 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@H]2[C@H](C1)CN2CC1CCCCC1 585108044 XOMRSLXDYZPEBI-NMIHRBCNSA-N 386.967 4.557 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccccc1C(F)(F)F 606440619 HLRDNASGWGTQFW-ZDUSSCGKSA-N 397.443 4.959 0 40 GJAB Cc1noc(C)c1CN1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 1888930285 MEMZGLCMFAUTDJ-UHFFFAOYSA-N 399.498 4.676 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)NCc4ccc(Cl)cc4)c(N)c3cc2C1 661889 ASOLCMHFJBYKSH-LBPRGKRZSA-N 399.947 4.977 0 40 GJAB Brc1ccc2c(c1)[C@H]1Oc3ccc(Br)cc3[C@@H](O2)O1 674813 WFDANGIGTVZSIQ-KBPBESRZSA-N 384.023 4.710 0 40 GJAB CC1(C)[C@]2(C(=O)Nc3ccccc3Sc3ccccc3)CC[C@@]1(C)C(=O)O2 702386 HLUUFFCBFRTJKO-FCHUYYIVSA-N 381.497 4.898 0 40 GJAB CCOc1ccc(-c2cc(N(C)C(C)=O)c3cc(OC)c(OC)cc3c2)cc1 1318952 NBCAMNKPEJKFTF-UHFFFAOYSA-N 379.456 4.905 0 40 GJAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1ccccc1 1445137 XMJZUMUQTBGQSM-ZHZULCJRSA-N 385.419 4.619 0 40 GJAB Cc1cccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 2734676 YMCABVULDBFJDH-RUZDIDTESA-N 390.571 4.688 0 40 GJAB Cc1ccc2nc(NC(=O)c3cccc(Cn4cc(Cl)cn4)c3)sc2c1 2746475 TWXHVBYTMRQIRE-UHFFFAOYSA-N 382.876 4.755 0 40 GJAB NC(=O)c1ccc(NC(=O)c2sc3cc(OC(F)F)ccc3c2Cl)cc1 2792546 FNZHVYJYMQXQEG-UHFFFAOYSA-N 396.802 4.507 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)[C@@H](C)Oc2ccccc2)CSC3)c(C)c1 3008385 QWZPMBFFFMLRBM-MRXNPFEDSA-N 393.512 4.642 0 40 GJAB Cc1ccc(C(=O)Nc2cccn(Cc3c(Cl)cccc3Cl)c2=O)cc1 3041637 CCUFTYKRSNKZPQ-UHFFFAOYSA-N 387.266 4.764 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1F 3338258 DTEGSGAWDZAIEZ-UHFFFAOYSA-N 379.387 4.722 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(F)c1)c1ccccc1 3401453 OWGHZNFEIRNLCY-NRFANRHFSA-N 393.414 4.761 0 40 GJAB Cc1nn(-c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(C)c1Cl 3439931 HIXDBLOMUGHEBF-UHFFFAOYSA-N 388.298 4.768 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)CCc2ccccc2)CSC3)cc1C 4088832 OLEJCYLNFUDKJH-UHFFFAOYSA-N 377.513 4.807 0 40 GJAB C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1N)c1ccc(F)cc1 4287427 LXRLTPZPWUWALX-CQSZACIVSA-N 378.476 4.728 0 40 GJAB CNC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCCC2 4348741 LIANIZHJHKCOFC-UHFFFAOYSA-N 390.508 4.906 0 40 GJAB CCOC(=O)N1CCN(CCCCCCOc2ccc(C(C)(C)C)cc2)CC1 4416353 LNGNQGSQDBGDFF-UHFFFAOYSA-N 390.568 4.697 0 40 GJAB O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c1 4616423 FUWGNSUZVCFJAF-UHFFFAOYSA-N 394.814 4.543 0 40 GJAB CC(C)n1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 4704884 CTICNKVPVIVLNT-ODLFYWEKSA-N 393.874 4.969 0 40 GJAB O=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccc2ccccc2c1 5215498 MEIOOIBXVIIIIX-HXUWFJFHSA-N 386.234 4.559 0 40 GJAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)c1 5396487 HBLFAEBAOOOOIO-CQSZACIVSA-N 398.557 4.693 0 40 GJAB O=C1CS[C@H](c2ccc(Cl)cc2)c2c(O)nn(C3CCCCCC3)c2N1 5763592 XWWMJVBTZZJPPZ-QGZVFWFLSA-N 391.924 4.912 0 40 GJAB COc1ccccc1CC(=O)N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 7281302 PKQBEVPNAMGTJH-QFIPXVFZSA-N 397.421 4.745 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(OCc2cn3ccccc3n2)cc1 7318900 CGWZKOUWSWVFKG-QHCPKHFHSA-N 397.478 4.721 0 40 GJAB CC[C@H](C)c1ccc(-n2c(S[C@@H](C)C(=O)OC)nc3ccccc3c2=O)cc1 7735499 WRWVDABRHJRVOQ-GJZGRUSLSA-N 396.512 4.553 0 40 GJAB Cc1cc(C)c(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c(Cl)c1 7927472 WKUMUFRSQWPHDL-MRXNPFEDSA-N 392.952 4.638 0 40 GJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 8027076 UKBXIUBUCMSYMA-UHFFFAOYSA-N 399.494 4.921 0 40 GJAB CN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(Cl)s1 8129479 WJLNWKMKABHPHU-UHFFFAOYSA-N 377.918 4.812 0 40 GJAB Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 8333081 OJIYAXZINZPIIO-OAQYLSRUSA-N 396.826 4.691 0 40 GJAB COc1cc(C)c(C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1C(C)C 8333849 PBJDJWMVFRCZIJ-HXUWFJFHSA-N 383.513 4.934 0 40 GJAB CN(C)c1ccc([C@@H](CNC(=O)C[C@@H]2C=CCC2)c2c[nH]c3ccccc23)cc1 8746777 HWNQVONOMBCQJN-XMSQKQJNSA-N 387.527 4.838 0 40 GJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1c(F)cccc1Cl 9036452 QOIFTVCGAITZDW-UHFFFAOYSA-N 398.821 4.523 0 40 GJAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)cc1 9199118 XFBODVYXNBGBOP-UHFFFAOYSA-N 387.892 4.661 0 40 GJAB Fc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCCC3)n2)cc1 10213677 XYCRFFICHAJERR-UHFFFAOYSA-N 384.846 4.752 0 40 GJAB O=C(CSc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 10867602 IXFZQPYVTNWERD-HNNXBMFYSA-N 384.526 4.601 0 40 GJAB CC(=O)N[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 11461659 PUVKFOUDFBMXLN-CYBMUJFWSA-N 390.814 4.626 0 40 GJAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 11667296 DMRBOMNZDZPSSH-AWEZNQCLSA-N 379.847 4.822 0 40 GJAB CC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cs1 12219604 GNFZIVJWEGTHDR-UHFFFAOYSA-N 395.459 4.501 0 40 GJAB CCN(Cc1cccs1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 12599683 BORLQBUSGMIILZ-NRFANRHFSA-N 391.492 4.865 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC=CC[C@H]4C(=O)O)cc3)sc2c1 12649980 VVRPUWRAIBUXRZ-DLBZAZTESA-N 392.480 4.877 0 40 GJAB COc1cc(C(=O)Nc2cc(C(=O)O)ccc2C)cc(Cl)c1OCC(C)C 12851759 PNEDXOYILWEFEX-UHFFFAOYSA-N 391.851 4.642 0 40 GJAB CCOc1ccccc1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 13002835 OZICDMRCSAKSNS-UHFFFAOYSA-N 388.511 4.744 0 40 GJAB Cc1ccc(Oc2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 13022428 NGPPRWBKHDGPAE-UHFFFAOYSA-N 377.396 4.534 0 40 GJAB COc1ccc2c(C)cc3nn(CN4CCC[C@@H]5CCCC[C@@H]54)c(=S)n3c2c1 13097674 VEAGFMGVFNJHKI-LPHOPBHVSA-N 396.560 4.948 0 40 GJAB COc1cc(OC)cc(-c2nnc3c4ccccc4c(Cc4ccccc4)nn23)c1 13624918 GDZCWDYTSRHWCE-UHFFFAOYSA-N 396.450 4.553 0 40 GJAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)c1nnc(Cc2cccc(Cl)c2)o1 13960113 LGVHYKZRAWXOSZ-SNVBAGLBSA-N 384.789 4.641 0 40 GJAB O=C(c1c[nH]c2ccccc12)[C@@H](NCCOc1ccccc1F)c1ccccc1 14074886 BPJHFLYBOZLCBT-QHCPKHFHSA-N 388.442 4.900 0 40 GJAB COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649516 LSQPFJCCAARLDS-UHFFFAOYSA-N 392.293 4.773 0 40 GJAB CC(C)(C)OC(=O)NCCCCc1nnc(SCc2cccc(Cl)c2)o1 15919791 IZACBLODPWYABP-UHFFFAOYSA-N 397.928 4.863 0 40 GJAB Cc1ccc(-c2nc(SCc3ccc(Cl)cc3)nc(O)c2CCO)cc1 16981392 BXCFQMRLEDSCMH-UHFFFAOYSA-N 386.904 4.638 0 40 GJAB CCN(C(=O)Cc1csc(-c2ccccn2)n1)C12CC3CC(CC(C3)C1)C2 19295289 ONKKBNDKQWMJHT-UHFFFAOYSA-N 381.545 4.565 0 40 GJAB CN1CCN([C@H]2Cc3cc(Cl)ccc3Sc3c(Cl)cccc32)CC1 19802490 IHTOAXQINHTNCC-KRWDZBQOSA-N 379.356 4.989 0 40 GJAB Cc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 20418883 ZCTVVRVEDBGCSZ-UHFFFAOYSA-N 397.525 4.605 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)c(Cl)c1 20456200 NILIVTTZAMJNJM-QGZVFWFLSA-N 396.270 4.966 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1cccc(C)c1 20489097 LWSGBIQJSBMZIF-GOSISDBHSA-N 377.937 4.855 0 40 GJAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 20609898 XWNAVAXMCKXIEK-INIZCTEOSA-N 386.455 4.850 0 40 GJAB COc1ccc(C(C)=O)cc1CSCCC(=O)Nc1ccccc1Cl 27184423 NFBXAXRUXMTYLP-UHFFFAOYSA-N 377.893 4.813 0 40 GJAB CCOc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 28288663 VRXFLXHVSZNXJV-HSZRJFAPSA-N 394.559 4.950 0 40 GJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Cc1noc2ccccc12 32747582 QWEQMLXWDDSRIX-UHFFFAOYSA-N 380.831 4.942 0 40 GJAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1 32910102 WUWKHSIWXLBDQL-UHFFFAOYSA-N 379.456 4.732 0 40 GJAB Cc1ccc(C)c2c(=O)cc(CSCC(=O)Nc3cccc(Cl)c3)[nH]c12 33064112 JCGUPZZTNADGBC-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB Cc1noc(C)c1C(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12 35671701 DDMUSDLUPDHASD-UHFFFAOYSA-N 393.374 4.681 0 40 GJAB O=C1N/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1C1CCCCC1 39556219 GLHYOERJBWZPIQ-JCMHNJIXSA-N 399.494 4.915 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)N(C)Cc1cccc(Cl)c1Cl 40103996 HUARULIYULYDKI-UHFFFAOYSA-N 396.274 4.624 0 40 GJAB COc1ccc(Cc2c(C)nc3c(c(C)c(C)n3Cc3ccccn3)c2N)cc1 40266207 QYKAXZFQRQOZGA-UHFFFAOYSA-N 386.499 4.586 0 40 GJAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(I)cc1 40995104 ZTKCUNRZYMYGJR-UHFFFAOYSA-N 385.632 4.516 0 40 GJAB CC[C@H](CNC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccccc1 43950221 AVFNCHHXLOUXQL-CQSZACIVSA-N 393.409 4.979 0 40 GJAB Cc1cc2cc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)ccc2[nH]1 46059243 WZCJPERMJFCEDE-UHFFFAOYSA-N 381.382 4.981 0 40 GJAB CC(C)[C@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1ccc(F)cc1 57614125 UVOAHZDSQFHIHG-OAQYLSRUSA-N 395.526 4.967 0 40 GJAB COc1ccccc1Oc1ccc(N[C@H](C)C(=O)N2CCc3ccccc32)cc1 57717724 BSMCXNGHUPPCHE-QGZVFWFLSA-N 388.467 4.877 0 40 GJAB O=C(CN1CCCC[C@H]1c1nc2ccccc2s1)N1CCCc2ccccc21 58160635 HWUYZPPBIAHNFO-FQEVSTJZSA-N 391.540 4.803 0 40 GJAB O=C(Nc1cccc(CN2CCOCC2)c1)c1ccc(-c2ccccc2F)s1 70006850 PCGGWTSBWWUPBS-UHFFFAOYSA-N 396.487 4.639 0 40 GJAB Cc1ccccc1-c1nc2cc(Br)c(N)c(Br)c2o1 70461287 AAGOQPGMTGWKPJ-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB CN1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccc(F)cc21 72303453 HYVMSIRKWGIFDZ-UHFFFAOYSA-N 399.853 4.550 0 40 GJAB C[C@H](NC(=O)CCc1cccc(Cl)c1Cl)c1nc(C2CCCC2)no1 72303705 BURRECBGMOIJOE-NSHDSACASA-N 382.291 4.844 0 40 GJAB c1ccc(Nc2nccc([C@H]3CCCN3Cc3ccc4ncccc4c3)n2)nc1 72377983 WBGDTAVOHUUXPX-OAQYLSRUSA-N 382.471 4.501 0 40 GJAB COc1ccc([C@H](NC(=O)c2c[nH]c3ccc(Br)cc23)C2CC2)cc1 83937898 SZSXNZZASLZPTC-LJQANCHMSA-N 399.288 4.820 0 40 GJAB Cc1c(CNC(=O)/C=C/c2cccs2)sc2nc(-c3ccc(F)cc3)cn12 90642888 FPWWQGKJBWSZSL-CMDGGOBGSA-N 397.500 4.901 0 40 GJAB CC(C)n1cc(C(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)c2ccccc2c1=O 96232359 WJCDOYHLDATSND-QFIPXVFZSA-N 399.494 4.871 0 40 GJAB O=c1[nH]c2c(s1)[C@H](c1ccc(Br)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100864330 SQFALPKIUAOVMZ-HECBCWNYSA-N 394.359 4.851 0 40 GJAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1ccc(Br)cc1 214893044 VAJLQBFCBYDEMQ-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc2O1 223664238 OQDNMOUNMLVHGX-UHFFFAOYSA-N 386.300 4.898 0 40 GJAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224422343 BRRBKMJMOVRWJJ-UXHICEINSA-N 380.492 4.780 0 40 GJAB Cc1ccc([C@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)c(C)c1 225455595 HTOUXVGOOAZVGQ-RUZDIDTESA-N 398.506 4.950 0 40 GJAB COCCC(=O)N[C@]1(C)C[C@H](c2ccc(Cl)cc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257301660 RZHXVTKFWQVEPS-UFXVLNHOSA-N 397.918 4.657 0 40 GJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260812543 FXFJOGWUNABMSE-WMZHIEFXSA-N 390.568 4.721 0 40 GJAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1 408614533 DJRYMILTIWNBNP-UHFFFAOYSA-N 394.858 4.531 0 40 GJAB Clc1c(-c2nc(-c3cccnc3)no2)[nH]c2ccc(Br)cc12 545543869 OCZYZBDHUWYAKP-UHFFFAOYSA-N 375.613 4.696 0 40 GJAB CC[C@H](C)[C@@H](C(=O)Nc1c(C)cc(C)cc1Cl)N1C(=O)c2ccccc2C1=O 1910531 CNNMRPJXAJIPCW-DJJJIMSYSA-N 398.890 4.606 0 40 GJAB O=S(=O)(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Cl)cc1 2067707 BTTFPBRLPBLVNA-UHFFFAOYSA-N 396.855 4.718 0 40 GJAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cccc(C(F)(F)F)c1 2261566 YSKSIGHINGMODR-UHFFFAOYSA-N 376.334 4.534 0 40 GJAB CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccccc1OC 2330594 MVVCVZLHCQRBFK-IBGZPJMESA-N 380.469 4.555 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccs1)c1ccccc1 3249899 CZZCTIALSWUMSO-LJQANCHMSA-N 381.453 4.602 0 40 GJAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1cccc(F)c1 3269492 BZIHHPIMZYKRFX-UHFFFAOYSA-N 377.415 4.530 0 40 GJAB CN(CCOc1ccc(Cl)cc1)C(=O)Cc1csc(-c2ccccc2)n1 3340402 PQMKAPRYZPOKIL-UHFFFAOYSA-N 386.904 4.543 0 40 GJAB Clc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1 4848433 YUKXGBMNEJNXGQ-UHFFFAOYSA-N 377.831 4.996 0 40 GJAB CCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1C 5017236 RGSYKRATFIOGEE-UHFFFAOYSA-N 398.532 4.650 0 40 GJAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1Cl 5216219 OEIJFUAVVLJDAF-AAIMPIBUSA-N 399.918 4.857 0 40 GJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1F 5477578 ICMOYSYROXVKRC-UHFFFAOYSA-N 377.872 4.962 0 40 GJAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@]32C)[C@@]12CC[C@]1(CCOC1)O2 5528096 QETHKRDIJLVIMV-ABOAMBILSA-N 378.553 4.699 0 40 GJAB CC(C)CCOC(=O)[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 5843002 MWJKKWUGTAUTMQ-GOSISDBHSA-N 395.833 4.679 0 40 GJAB COc1cc2sc(NC(=O)c3cc(Cl)ccc3OC)nc2cc1Cl 6441621 JTTJBLOCBJQQRA-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)[nH]1 6455930 SJGBBABBVZOJML-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nonc1-c1ccc(F)cc1 6670205 NAIYDRZVKDXCLE-VIFPVBQESA-N 396.205 4.589 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 7406702 NKGWFJKISUSIOY-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB Cc1ccc(Cn2nc(C)c3cc(C(=O)Nc4ncc(C)s4)sc32)cc1 8133281 AMBZFFGCWFUUFB-UHFFFAOYSA-N 382.514 4.780 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3ccc(Cl)cc3)n2)cc1 8855918 YCPFRXCTWQOGLF-UHFFFAOYSA-N 399.903 4.993 0 40 GJAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2ccccc2)n1 9250025 YMYODCNSCQRDFJ-UHFFFAOYSA-N 391.496 4.682 0 40 GJAB C[C@H]1C[C@@H](Sc2nc(Nc3ccccc3Cl)c3ccccc3n2)C(=O)O1 9512739 VDSKOKBNHWFWDQ-MEDUHNTESA-N 385.876 4.823 0 40 GJAB CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H](C)Oc1ccccc1 9582093 FMCOZODALMIIFT-HNNXBMFYSA-N 399.878 4.595 0 40 GJAB Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1Cc1ccco1 12538527 BWFZMCALBDFJDG-UHFFFAOYSA-N 379.485 4.608 0 40 GJAB CCOc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(OC)ccc23)cc1 12855440 QRIYHDKCPQHHGN-NRFANRHFSA-N 379.456 4.537 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)/C=C/c1ccccc1)CC2 16002246 WEQPYXKVKPOCDO-ODUIWNOOSA-N 399.490 4.891 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc4nc(C)sc4c3)n2)cc1 18946944 GSSZDGKMTCSVSJ-UHFFFAOYSA-N 378.457 4.534 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(-c4nccc5ccccc45)o3)C2)c1 19234404 MZTSHAGAFCEOLQ-LJQANCHMSA-N 398.466 4.613 0 40 GJAB Cc1nc(C)c(CC(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)s1 19560544 LYJXKSSVHXRXLW-UHFFFAOYSA-N 390.512 4.603 0 40 GJAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccco3)no2)cc1 21524317 GPOHIYLAJJGXJH-UHFFFAOYSA-N 392.411 4.769 0 40 GJAB CCc1ccc(NC(=O)CSc2nnc(COc3ccc(CC)cc3)o2)cc1 27525722 RJVZAQJXVZDTOR-UHFFFAOYSA-N 397.500 4.504 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)CSc3nc(-c4ccccc4)c[nH]3)c2C)no1 27660129 XTSDXQXVBIGGIW-UHFFFAOYSA-N 392.484 4.756 0 40 GJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cccc(F)c1F 28305145 DEKNICHEUWGYON-UHFFFAOYSA-N 382.197 4.769 0 40 GJAB COC(=O)c1ccccc1Nc1c(-c2ccc(SC)cc2)nc2cnccn12 35622703 ALPMAETZMUPOOH-UHFFFAOYSA-N 390.468 4.648 0 40 GJAB O=C(/C=C/c1ccccc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 38677766 INSSDXUAZYPHGX-DTQAZKPQSA-N 382.463 4.932 0 40 GJAB O=C(CSCc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 38678341 DWMJMHCDMSJLEX-UHFFFAOYSA-N 390.464 4.917 0 40 GJAB Cc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)c(C)o1 42380184 IKTJXYQHXPMISS-CQSZACIVSA-N 385.464 4.574 0 40 GJAB O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCc2sccc2C1 44775911 GQEYTJGOFVVFTJ-CVEARBPZSA-N 380.538 4.993 0 40 GJAB CCN(Cc1ccccc1)[C@H](c1ccc(C)cc1)c1nnnn1C(C)(C)CC 57613806 PUUZKSNYSNKYBU-OAQYLSRUSA-N 377.536 4.738 0 40 GJAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cc(F)ccc1Cl 67295478 GZLCVEWDJMWLPI-DAFNUICNSA-N 396.805 4.981 0 40 GJAB CC(C)c1noc(-c2ccccc2C(=O)N2CCCc3c(F)cc(F)cc32)n1 71862774 CVEGWGXWAYKFDI-UHFFFAOYSA-N 383.398 4.731 0 40 GJAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N1CCO[C@@H]2CCC[C@@H]21 78698420 PBNNQAGITVTRSG-FCHUYYIVSA-N 392.474 4.687 0 40 GJAB Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2Cl)cc1 100745029 JEDVWJZXOSCSDV-FEBSWUBLSA-N 379.843 4.752 0 40 GJAB O=C(COc1ccccc1)NCC12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 100871923 SJHGBCFZSCWVEO-JSZXIJHASA-N 375.512 4.720 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)C[C@@H](c2ccccc2)C1 102709636 JUFNTDMMAPEXIK-ZUOKHONESA-N 378.382 4.622 0 40 GJAB CCOc1cccc2sc(NC(=O)CN3CCC(c4ccccc4)CC3)nc12 141570034 PXPXWQYQCDJVRI-UHFFFAOYSA-N 395.528 4.513 0 40 GJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-c2ccccc2C)[nH]n1 223441593 WDVAYCVTWQJRNK-UHFFFAOYSA-N 393.921 4.561 0 40 GJAB COc1cccc(OCc2cc(C(=O)Nc3ccccc3OC)ccc2OC)c1 224254593 FQDAVJOFZSTWKE-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCCCC4)cc3)s2)cc1 224571047 RSFMKGXKGNKAKH-UHFFFAOYSA-N 392.528 4.752 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)[nH]1 224860692 FIAJJZUUHYFSLD-RTBURBONSA-N 398.919 4.563 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc2O1 225330957 IOIOUEIMQUPJCW-OAQYLSRUSA-N 393.527 4.934 0 40 GJAB CCOC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225675106 IZWHWHGPYROXEL-SFHVURJKSA-N 398.528 4.761 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1Cl)CC(C)(C)O2 225681089 ANUOBDQWKAMNLC-MRXNPFEDSA-N 376.909 4.937 0 40 GJAB CCOc1ccccc1NC(=S)NCCCSc1ccc(OC)cc1 225802576 DGLYLJUTSPBJGK-UHFFFAOYSA-N 376.547 4.563 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C(=O)OC 225831642 DWFYZTIEODDVSU-KSFYIVLOSA-N 391.508 4.576 0 40 GJAB CC(C)(C)CNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 226091745 TWCNIKPRUVJQHM-UHFFFAOYSA-N 384.907 4.709 0 40 GJAB COc1cc(C(=S)NCc2ccco2)cc(Cl)c1OCc1ccccc1 408573753 KHPMRALOFLKJQC-UHFFFAOYSA-N 387.888 4.986 0 40 GJAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccccc3SC)nc1-2 409056383 QYCVKPYXSIGESY-UHFFFAOYSA-N 382.510 4.892 0 40 GJAB Cc1ccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@H]3[C@]2(O)C(F)(F)F)cc1 409097261 MXIKOOFOISRKOL-KHYOSLBOSA-N 382.426 4.520 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)Cc2ccccc2F)CN1c1cccc(F)c1 1615156083 JXFMNWZGBMDRJQ-QHCPKHFHSA-N 384.470 4.557 0 40 GJAB CCCCn1cnc2c(SCc3ccc(Cl)cc3Cl)nc(N)nc21 1680985 SIXLAIJQQGFPMK-UHFFFAOYSA-N 382.320 4.808 0 40 GJAB CN(C)c1ccc([P@](=O)(OCc2ccccc2)[C@H](O)c2ccccc2)cc1 2374787 OYXXYDUQEOSGFD-CUNXSJBXSA-N 381.412 4.564 0 40 GJAB CCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cc(C)ccc1C 2412942 CYYPKZJYUGAOTN-UHFFFAOYSA-N 398.532 4.650 0 40 GJAB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(F)cc2)c2cccs2)cc1 2669868 CDJDTRCCCLFIFD-HXUWFJFHSA-N 388.485 4.984 0 40 GJAB O=C(Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccccc1Cl 2794253 XRCHPOWMRZEPDV-UHFFFAOYSA-N 381.650 4.539 0 40 GJAB O=C(COC(=O)c1ccc2ccccc2n1)c1ccc2c(c1)-c1ccccc1C2 3329943 IMIWOFJLNFYZAP-UHFFFAOYSA-N 379.415 4.846 0 40 GJAB CCNc1ccc(C(=O)OCC)cc1NC(=O)Cc1c(Cl)cccc1Cl 3425280 LMORWLPSIHGSDU-UHFFFAOYSA-N 395.286 4.783 0 40 GJAB O[C@]1(c2ccc(Cl)c(Cl)c2)CN(c2ccccc2)C2=[N+]1CCCCC2 4086844 DUDFNBDZDDTYJU-FQEVSTJZSA-N 376.307 4.644 0 40 GJAB COc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCCCC3)cc1 4892118 AQWUIWVHVJIDAF-UHFFFAOYSA-N 378.497 4.628 0 40 GJAB COc1ccc(-n2cccc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 6325055 WBCCQAXTCCGJDY-NFYBBCHUSA-N 383.517 4.575 0 40 GJAB COc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 6811422 XUNVELMDONZXMC-UHFFFAOYSA-N 399.446 4.957 0 40 GJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(C(F)(F)F)cc1 7725960 SUYCSASNMOEZEK-UHFFFAOYSA-N 378.350 4.532 0 40 GJAB CC(C)n1ncc2c(C(=O)N3CCC[C@@H]3c3cccs3)cc(C3CC3)nc21 7987464 SQIHJDJKOPBGCB-GOSISDBHSA-N 380.517 4.928 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccc(OC)cc2)cc1 8405480 NTHUHXUUDMBKPF-NTCAYCPXSA-N 386.495 4.895 0 40 GJAB CCCCNc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)s1 9174503 BAGHRIQEVLUANN-UHFFFAOYSA-N 391.349 4.788 0 40 GJAB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 10768448 RACVGMVINOUARB-LLVKDONJSA-N 392.286 4.781 0 40 GJAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)OC(C)C)c(C)c1 12062357 STIFPEILZILGIV-UHFFFAOYSA-N 398.528 4.776 0 40 GJAB Cc1c(C(=O)OCc2cccc(C(F)(F)F)c2)nnn1-c1ccc(Cl)cc1 12415973 IQNIWERHVUJQDR-UHFFFAOYSA-N 395.768 4.605 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H](C)N(C)Cc1ccccc1N1CCCCC1 12592306 VLEVYMKFRBRACD-FQEVSTJZSA-N 379.548 4.753 0 40 GJAB O=c1[nH]c(SCc2csc(-c3ccc(F)cc3)n2)nc2sccc12 12907667 VRNGUVGRRUWYRE-UHFFFAOYSA-N 375.475 4.540 0 40 GJAB Cc1ccc(C)c(Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c1 13017729 JJQFRPBELXKZNU-UHFFFAOYSA-N 383.495 4.674 0 40 GJAB Cc1ccc(CN(C)C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)o1 14239187 PJBYAPSHJPOZFE-ACCUITESSA-N 398.466 4.508 0 40 GJAB C[C@H](NC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 14792843 TZZCHNXXNNAGHH-KRWDZBQOSA-N 397.478 4.840 0 40 GJAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-c2nc3ccccc3o2)cc1 14801968 CYUYHYYMLKVMBD-UHFFFAOYSA-N 386.407 4.795 0 40 GJAB Cc1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c(C)c1 15860776 SJTXGISMMJDFDI-NRFANRHFSA-N 386.495 4.684 0 40 GJAB CCOc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4)c3C)n2)cc1 16842857 WRELSEOVSMLQCR-UHFFFAOYSA-N 380.448 4.904 0 40 GJAB COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)Nc2ccncc2)c1 17584316 NDUPUWYFJDAFMG-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB Cc1cc(-c2cnc(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)nc2C(C)C)on1 19121607 WCQVIZFPGZMDGW-SFHVURJKSA-N 394.519 4.626 0 40 GJAB COc1cccc([C@H](CNCc2ccco2)c2c[nH]c3ccccc23)c1OC 23935287 GKZYPMOVYWZZEE-IBGZPJMESA-N 376.456 4.700 0 40 GJAB O=C(c1c[nH]c2ccccc12)[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccccc1 25664994 JJSSECSJEFTAER-KOSHJBKYSA-N 398.462 4.522 0 40 GJAB COc1ccc(CN(C(=O)c2cccc(Cl)c2)c2ccccn2)cc1OC 27662694 IWVHUTUKKSINPA-UHFFFAOYSA-N 382.847 4.599 0 40 GJAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 30851082 QYFTUFYWGVZEIJ-QGZVFWFLSA-N 377.440 4.680 0 40 GJAB CCC/C=C1\OC(=O)C2=C[C@H]3CC[C@]21[C@]1(OC(=O)C2=C1CCC=C2)[C@H]3CCC 31772475 DZMFTLLDUYBHLI-GMZNNUCTSA-N 380.484 4.922 0 40 GJAB endogenous,in-man O=C(Nc1cccc2nsnc12)c1ccc(-c2cc3ccccc3oc2=O)cc1 32071473 FBSBCQBQZSTNGP-UHFFFAOYSA-N 399.431 4.717 0 40 GJAB Cc1nc(COc2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)cs1 32836508 UNNAIGJSUWSSRS-NRFANRHFSA-N 378.497 4.838 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(C)cc3)n2)cc1 33012673 VLBCIWHPPXUKRT-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 33708540 SRFDAWJCAMRPEL-YZVOILCLSA-N 398.576 4.996 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38849800 DTRKHABRHYLTMY-OAHLLOKOSA-N 380.385 4.695 0 40 GJAB Cc1ccc(Cc2cnc(NC(=O)c3oc4c(c3C)C(=O)CCC4)s2)cc1 40130954 JTDVMZFSPROYQS-UHFFFAOYSA-N 380.469 4.715 0 40 GJAB CC(=O)Nc1cccc([C@H](C)OC(=O)Cc2csc(-c3ccc(C)o3)n2)c1 40157856 YWYWPKAOIWSXOV-ZDUSSCGKSA-N 384.457 4.517 0 40 GJAB Cc1ccc(-c2ccnc3c(C(=O)NCc4ccc(Cl)cc4)cnn23)cc1C 48989019 ZPGKQUKHKHZHCF-UHFFFAOYSA-N 390.874 4.597 0 40 GJAB O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)N1CCC[C@H]1c1ccsc1 53596237 KVNBZYASQKHUIJ-KRWDZBQOSA-N 387.505 4.733 0 40 GJAB Cc1nc(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 53931025 FIKGTTYLTVMUDK-UHFFFAOYSA-N 393.487 4.988 0 40 GJAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(Cc3cnn(C)c3C)C2)n1 72353977 WXWVXNQGSIKMFN-NRFANRHFSA-N 392.522 4.541 0 40 GJAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72356035 OSVIOLHFNFPDJX-XMMPIXPASA-N 384.523 4.930 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72358485 UYNJPQDJHLWZCJ-QGZVFWFLSA-N 395.865 4.956 0 40 GJAB CSc1ccccc1C(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200185 VGCPBKZPNDOCFH-IAGOWNOFSA-N 384.501 4.698 0 40 GJAB CCc1cc(N[C@H](C)c2ccc(-n3ccnc3C)cc2)nc(-c2ccccn2)n1 79046633 QBOSFYMYJHQOPO-MRXNPFEDSA-N 384.487 4.768 0 40 GJAB CC[C@@H]1Oc2cc([C@H](C)NCc3cc(C)nc4ccccc34)ccc2NC1=O 95985470 QOTPIJQPFQNXHL-BTYIYWSLSA-N 375.472 4.504 0 40 GJAB O=C(NCc1ccccc1)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12 96154771 XCGVZCTYCWEGMO-UHFFFAOYSA-N 392.462 4.722 0 40 GJAB O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N(Cc1cccs1)C1CC1 97212369 UKDKXCCZUFRLBP-UHFFFAOYSA-N 393.390 4.622 0 40 GJAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1F 98073041 HQBRENPYIPRMRS-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB COc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2S)cc1OC 101478556 NBPUESCVDAYQTC-UHFFFAOYSA-N 391.290 4.812 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc12 104068775 RROVAUSODFWSPM-VKZRIFJHSA-N 379.529 4.950 0 40 GJAB Cc1cccn2cc(-c3ccccc3NC(=O)c3ccc(C(F)(F)F)nc3)nc12 206902155 RLWBIBYAWNXZPR-UHFFFAOYSA-N 396.372 4.976 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 219320651 MEJGGHPSHACFGT-IBGZPJMESA-N 375.896 4.645 0 40 GJAB CCOC(=O)C1(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 222964481 ZOJAWUWGCODBIT-UHFFFAOYSA-N 377.362 4.552 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)CCSc3ccc(Cl)cc3)ccc21 225076685 BPJDTXBHNYIQAY-UHFFFAOYSA-N 392.933 4.857 0 40 GJAB COc1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)cc1Cl 225789985 RNEYLLONXGJMJU-CQSZACIVSA-N 378.925 4.719 0 40 GJAB COc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1OC 225810088 BZXUXCLJHAONQM-UHFFFAOYSA-N 388.508 4.641 0 40 GJAB Cc1cccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 257259381 KYCWPLWPBNDTQB-HXUWFJFHSA-N 395.890 4.990 0 40 GJAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccccc2)nc1CCCc1ccccc1 257278906 OEDNQHUEKYBHMN-JOCHJYFZSA-N 387.483 4.692 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 408587383 UNSSBESDLWXDSR-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB CCc1cccc(C)c1NC(=O)c1cc(Br)c(OC)c(OC)c1 408623253 RWNBPUSETCYDMC-UHFFFAOYSA-N 378.266 4.589 0 40 GJAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2C(N)=O)C1 408629175 NZAXPRMJYGPRTI-CYBMUJFWSA-N 396.512 4.997 0 40 GJAB CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(C)N2[C@H]1c1ccccc1 408987524 FOWZXLAAKWUMQM-FQEVSTJZSA-N 376.481 4.982 0 40 GJAB O=C(Nc1n[nH]cc1-c1ccc2c(c1)OCO2)c1ccc(C2CCCC2)cc1 573049899 DZWBUQLOEGDAJJ-UHFFFAOYSA-N 375.428 4.715 0 40 GJAB CC(C)c1ccc2c(c1)Cc1cccc(c1)CN(C(=O)C1CC1)CCOCCO2 643564891 LUSIMIUBACBMLQ-UHFFFAOYSA-N 393.527 4.548 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)Cc2ccccc2F)N1c1ccc(F)cc1 1615157557 LCQJLPBTIWDNNJ-SFTDATJTSA-N 384.470 4.556 0 40 GJAB COc1ccc(C[C@@H](OC)[C@H](O)c2ccccc2)c(OCc2ccccc2)c1 622443 MAJBYSWTUGYQHM-DNQXCXABSA-N 378.468 4.565 0 40 GJAB COC(=O)c1c(NC(=O)[C@@H](C)SCc2ccccc2)sc2c1CCCC2 982949 LSUREFYESQUKQB-CYBMUJFWSA-N 389.542 4.674 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2ccc(C)cc2C)cs1 2203257 ZDZUIENABYZUAG-LJQANCHMSA-N 396.468 4.725 0 40 GJAB Cc1ccccc1C(=O)Nc1c(-c2ccccc2)c(=O)c(C)nn1-c1ccccc1 2218981 VATQCBQICVREGE-UHFFFAOYSA-N 395.462 4.769 0 40 GJAB COc1cc2c(cc1OC)C(C1=NC(C)(C)Cc3ccccc31)=NC(C)(C)C2 2491640 TUDDBIBRAYSSQV-UHFFFAOYSA-N 376.500 4.652 0 40 GJAB O=C(Cc1ccc(Br)cc1)NCCc1ccc(Cl)cc1Cl 2647045 DKIDJBXULCWTGX-UHFFFAOYSA-N 387.104 4.657 0 40 GJAB Cc1c(Cl)cccc1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl 3231733 VQHWDVAQABSLHL-UHFFFAOYSA-N 386.662 4.680 0 40 GJAB CC(C)c1ccccc1NC(=O)COC(=O)CCc1nc2ccccc2s1 3262175 WNNCRBSNVQBCCJ-UHFFFAOYSA-N 382.485 4.534 0 40 GJAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c1 3262266 QKXXTSFHYVSUOV-UHFFFAOYSA-N 375.424 4.891 0 40 GJAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc(OC[C@H]2CCCO2)cc1 3312181 LCPQQBRKSHYAGY-HXUWFJFHSA-N 395.480 4.725 0 40 GJAB Cc1cc(NCC(=O)Nc2ccccc2C(F)(F)F)ccc1Br 3486987 XSPSIGNBXWPYBW-UHFFFAOYSA-N 387.199 4.827 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2)cc1C 4675504 UAZBXVYUIXDXLO-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)o2)cc1 5210488 NIJOYOALQCJHRV-CABCVRRESA-N 379.485 4.503 0 40 GJAB COc1ccc(-c2nc3c(s2)CN(C(=O)CCCc2ccccc2)CC3)cc1 5427241 DREOAZLXDPSLAU-UHFFFAOYSA-N 392.524 4.726 0 40 GJAB Cc1ccccc1-n1cccc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 6969380 HDKIIRGPTIGSAS-FYJGNVAPSA-N 399.475 4.894 0 40 GJAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc2ccccc2c1 7052678 BVYYZZQXMMRWJE-UHFFFAOYSA-N 376.275 4.712 0 40 GJAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1nccs1 7655067 AEFQRKITZSKWEW-UHFFFAOYSA-N 379.441 4.732 0 40 GJAB O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928385 BOVUCYBLKFOITK-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccncc4)ccc3c2C)cc1 9485962 GMUWBWAQKLHGEI-UHFFFAOYSA-N 386.407 4.628 0 40 GJAB biogenic COc1ccc(CCC2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)cc1 11419926 NNSCUNJMTAAAJM-QGZVFWFLSA-N 384.495 4.506 0 40 GJAB COc1ccc(CNc2ncc(-c3onc(C)c3C)c(-c3ccco3)n2)cc1 12186802 JXVOHBBNCFWVBJ-UHFFFAOYSA-N 376.416 4.629 0 40 GJAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc(Cl)c4)c3)cn2n1 12441174 ASUSLMITXTWSDU-UHFFFAOYSA-N 392.846 4.619 0 40 GJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1csc(-c2ccccn2)n1 12995594 DHROJVLRYKVNGP-UHFFFAOYSA-N 392.311 4.713 0 40 GJAB CCC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)N1CCC[C@@H](C)C1 13561742 BEXJYLKRNFENCW-PBHICJAKSA-N 395.473 4.658 0 40 GJAB CCOc1cc(C(=O)Nc2c(C)cccc2C)cc(Br)c1OC 15992480 BJDCAFZUDNTZPU-UHFFFAOYSA-N 378.266 4.726 0 40 GJAB Cc1oc2cc(OS(=O)(=O)c3cccs3)ccc2c(=O)c1-c1ccccc1 16087084 XPFDHXPTEFPZDU-UHFFFAOYSA-N 398.461 4.598 0 40 GJAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c(C)c1 17025892 KGYLLOXHUDIMSA-UHFFFAOYSA-N 399.903 4.847 0 40 GJAB O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Nc1ccccc1 18180502 VCDZWOTXDLWVDZ-CJRSTVEYSA-N 394.474 4.752 0 40 GJAB O=C(Cc1cccc(F)c1)N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 18704528 AKKKRYQLPVPYCP-OAQYLSRUSA-N 385.385 4.875 0 40 GJAB CC1CCN(Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)CC1 20460450 PYAQZIHNKJZUOB-UHFFFAOYSA-N 384.951 4.935 0 40 GJAB CCCCCCn1c(-c2ccc(Cl)cc2)nn(CN2CCOCC2)c1=S 25140131 RNBVCAHOGJZXRS-UHFFFAOYSA-N 394.972 4.604 0 40 GJAB O=c1cc(O)c2sc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3c2[nH]1 26779569 GXCQIRVWGGMEPM-UHFFFAOYSA-N 380.322 4.668 0 40 GJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 30315841 RZKGFPFYFYGNIH-AWEZNQCLSA-N 380.916 4.507 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)N(C)[C@@H](C)CC(C)C)s2)cc1OC 30426292 KOIOIEVYUPJGTA-ZDUSSCGKSA-N 376.522 4.642 0 40 GJAB O=C(NCc1ccccc1CN1CCCC1=O)c1sc2ccccc2c1Cl 32787568 ITSMCDNJUUJVPH-UHFFFAOYSA-N 398.915 4.607 0 40 GJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(C(C)C)c(OC)cc1C 33608863 KOUGPZNKOGKYRE-LJQANCHMSA-N 386.517 4.895 0 40 GJAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(SC2CCCC2)cc1 36396150 DIPRTWGOMLMFMR-UHFFFAOYSA-N 382.485 4.658 0 40 GJAB COc1ccc(-c2nc(CN(C)Cc3ccc(Br)cc3)co2)cc1 36705977 LEECDBJERAIPED-UHFFFAOYSA-N 387.277 4.745 0 40 GJAB Oc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc(O)cc2)cc1 39365182 BOCLKUCIZOXUEY-UHFFFAOYSA-N 384.431 4.892 0 40 GJAB COc1cc(/C=C/C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc(OC)c1 40071052 AVCLLBVCUJCEMG-UQNNOOFXSA-N 377.484 4.786 0 40 GJAB COc1ccc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1OC(F)F 40119934 ICBOGTASALGBEL-UHFFFAOYSA-N 389.320 4.588 0 40 GJAB O=C(OCc1nccs1)c1ccccc1CSc1nc2ccccc2o1 40157169 DDEMXGGUIOBYHQ-UHFFFAOYSA-N 382.466 4.934 0 40 GJAB CC(=O)c1ccc(NC(=O)CCn2ccc3c(Br)cccc32)cc1 40284190 MMZVNVDHRNRUSJ-UHFFFAOYSA-N 385.261 4.635 0 40 GJAB COc1ccc(CN(C)C(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1 43339585 QSBUQIYMMXVQNR-UHFFFAOYSA-N 390.483 4.959 0 40 GJAB COc1ccc([C@H](C)NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1F 43976621 JULIBYBEMDABRB-ZDUSSCGKSA-N 397.406 4.562 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1Cl 44846329 SYPMETGIPRTOTR-UHFFFAOYSA-N 383.831 4.687 0 40 GJAB Cc1ccc2c(Nc3ccc(Cl)cc3)c(C(=O)N3CCCCC3)cnc2n1 49004657 YRXLXLSPXSKGDM-UHFFFAOYSA-N 380.879 4.961 0 40 GJAB COc1ccc([C@@H](C)NC(=O)[C@@H](SCc2ccccc2)C(C)C)c(OC)c1 58306774 SDSDTYMSTRRWTF-IERDGZPVSA-N 387.545 4.839 0 40 GJAB CC(C)(C(=O)NCc1ccccc1-n1cccn1)c1ccc(Cl)c(Cl)c1 65126978 DYKTUKVKUUPWKB-UHFFFAOYSA-N 388.298 4.773 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc(C)cs2)C12CCCC2 72400699 ASTMFKVTRYEGOJ-YJBOKZPZSA-N 397.544 4.741 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)C12CCCCC2 79490107 HZOMXGBUPNABIJ-LAUBAEHRSA-N 391.515 4.761 0 40 GJAB O=C(N[C@H]1C[C@@H]1c1ccccc1)c1nc(Cl)c(Cl)c(Cl)c1Cl 84525457 WYUVUHBZPVEMIK-BDAKNGLRSA-N 376.070 4.981 0 40 GJAB COCc1nc(C)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)s1 95976068 PTWCVRNFQNAQHL-UHFFFAOYSA-N 393.921 4.936 0 40 GJAB COc1ccc(CN2CCC3(CC2)CCN(Cc2cccc(F)c2)CC3)cc1 96047235 HILURGVOOHVLAV-UHFFFAOYSA-N 382.523 4.713 0 40 GJAB O=S(=O)(N=[S@@](=O)(c1ccccc1)[C@@H](F)c1ccccc1)c1ccccc1 100259005 WPXCCKAGGLDZDC-KBMIEXCESA-N 389.473 4.571 0 40 GJAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(F)cc2)cc1 100672978 ADZAYSWWSCQXOG-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 118924150 SPJJQKMRGHDHDW-DGKANLRJSA-N 387.564 4.619 0 40 GJAB O=C(CSc1ccc(F)cc1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219322043 AJUNORXXHFTGAG-GOSISDBHSA-N 397.487 4.903 0 40 GJAB CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 224966634 NKSVICYBVNRYOW-UHFFFAOYSA-N 394.707 4.871 0 40 GJAB CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)COC)c(Cl)c2)CCC[C@@H](C)C1 225718819 ZYBWDZHVSVXTSK-QEEYODRMSA-N 383.916 4.678 0 40 GJAB CCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(F)cc1 408564551 ZLWFCTZRINPPLF-LNVKXUELSA-N 384.476 4.688 0 40 GJAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2C(N)=O)C1 408629176 NZAXPRMJYGPRTI-ZDUSSCGKSA-N 396.512 4.997 0 40 GJAB CCOC(=O)C1=C(C)N=C(SCc2cccc(C)c2)N[C@@H]1c1ccccc1 408987680 GICHFCJPWKONAC-HXUWFJFHSA-N 380.513 4.766 0 40 GJAB COC(=O)n1[nH]c(=Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 575442919 IMRYZSPJYMRIMZ-UHFFFAOYSA-N 377.231 4.714 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)Cc2cccc(F)c2)N1c1cccc(F)c1 1615160379 ZUJWHUIQJNDQGE-SFTDATJTSA-N 384.470 4.556 0 40 GJAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3cc4ccccc4o3)coc2c1 939015 NBOBCRQLUIFNQV-CYBMUJFWSA-N 378.380 4.537 0 40 GJAB biogenic Cc1nc(C(=O)Nc2cccc(Cl)c2)nn1-c1cc(Cl)cc(Cl)c1 1385737 GBVYDVHLBNOVOS-UHFFFAOYSA-N 381.650 4.788 0 40 GJAB O=C(O)Cc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12 1573338 MUQXABCCEIRXSJ-UHFFFAOYSA-N 387.258 4.606 0 40 GJAB Nc1c(C(=O)NC2CC2)sc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 2342621 HQSVNISQUJXGAL-UHFFFAOYSA-N 395.381 4.596 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 2651390 WMTGKXJRISSGKN-UHFFFAOYSA-N 385.514 4.870 0 40 GJAB O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(Cl)cc1 3226812 BCKYCOVSQSNUEF-UHFFFAOYSA-N 395.842 4.715 0 40 GJAB C[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(Cl)c1 3283372 SMPJPDAOUTWUCD-PMDBQALLSA-N 395.789 4.525 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)cc1 3316840 JYNUIFJVTJWPOD-UHFFFAOYSA-N 377.824 4.798 0 40 GJAB CCOC(=O)c1c(NC(=O)c2c(C)nc3ccccc3c2C)sc(C)c1C 3349768 HZTJSBBFYGULPA-UHFFFAOYSA-N 382.485 4.959 0 40 GJAB Cc1c(C(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2n1C 4062386 SZQYFOUISDIHLF-UHFFFAOYSA-N 396.490 4.898 0 40 GJAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1cc2ccccc2oc1=O 4176277 WIDBGVPZQPJQBF-UHFFFAOYSA-N 398.443 4.907 0 40 GJAB COc1ccccc1N1CCN(CCCCOc2cccc3ccccc23)CC1 4331767 YCGSVDGHSBHCMU-UHFFFAOYSA-N 390.527 4.830 0 40 GJAB Cc1cccc2sc(N(CCN(C)C)C(=O)CCSc3ccccc3)nc12 4359240 XEXWKRVOUCLQNA-UHFFFAOYSA-N 399.585 4.682 0 40 GJAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 4386020 AROFBNJSQBFJNH-CQSZACIVSA-N 399.897 4.992 0 40 GJAB CCCOc1ccc([C@](O)(CCN2CCCCC2)c2ccccc2OC)cc1 4554940 RPABCRYLRDXZJU-XMMPIXPASA-N 383.532 4.596 0 40 GJAB Cc1ccc(CNC(=O)C[C@H](C)CC(=O)N(c2ccccc2)c2ccccc2)o1 4681141 OMGAWVREYITYSN-SFHVURJKSA-N 390.483 4.985 0 40 GJAB COc1cccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1 4840772 RJNGDMZEACGHPE-UHFFFAOYSA-N 391.254 4.876 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(F)cc1)CC2 4949010 JRVICUMAAIXZBF-NRFANRHFSA-N 397.471 4.692 0 40 GJAB CCCc1cc(=O)oc2cc(OCc3nc(-c4ccccc4C)no3)ccc12 5348448 PBWINGXHXCPANZ-UHFFFAOYSA-N 376.412 4.683 0 40 GJAB CC(C)c1ccc(-c2nc(C(=O)N3CCOCC3)cc3c2[nH]c2ccccc23)cc1 5825714 ZTGJBKINBJGLDZ-UHFFFAOYSA-N 399.494 4.979 0 40 GJAB biogenic CCc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(CC)CC)c3N2)cc1 6759777 VNEAOSQSBMZIFD-IAGOWNOFSA-N 394.441 4.588 0 40 GJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cccc(/C=C/c2ccccn2)c1 6822558 FADJTMZCJXSYQQ-PKNBQFBNSA-N 386.451 4.644 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 6880018 OYVMSPVHVLGVDN-ZDUSSCGKSA-N 376.909 4.599 0 40 GJAB COCCNc1oc2c(c1-c1ccc(OC)cc1)c(=O)oc1ccc(C)cc12 7636157 NDRIVCYEBOXTAV-UHFFFAOYSA-N 379.412 4.582 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1C 8499708 JESPUNQCNSDRHM-LJQANCHMSA-N 377.937 4.855 0 40 GJAB COCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 8617860 WQZZGNGWDAASEV-UHFFFAOYSA-N 390.512 4.844 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(Cl)cc1 9466424 SVVUTJFYDYHDLY-SFHVURJKSA-N 385.920 4.533 0 40 GJAB COc1ccc(-c2nc(C(=O)Nc3nc(-c4ccccn4)cs3)cs2)cc1 9657959 DUUALJOKKCIGCN-UHFFFAOYSA-N 394.481 4.590 0 40 GJAB Cc1ccccc1OCC(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 9833594 RQKIFNCAZWGYTJ-UHFFFAOYSA-N 381.432 4.528 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccccc1CN(C)C 9917475 SDHWFMVQBFEAOP-UHFFFAOYSA-N 399.947 4.764 0 40 GJAB CC(C)OCCCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccs2)n1 12186415 HDGBIJNLDARMTQ-UHFFFAOYSA-N 397.500 4.828 0 40 GJAB Cc1ccc(CNC(=O)c2sc(=S)n(-c3cc(C)ccc3C)c2N)cc1 12415615 ZWMTWGSVWVMMSC-UHFFFAOYSA-N 383.542 4.706 0 40 GJAB CCOC(=O)c1sc(NC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1C 12615535 JNMCIDQQXHBCRK-NFAYLAGKSA-N 381.925 4.750 0 40 GJAB Cc1cc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)no1 12728549 MVSIDEJXEMQBNP-UHFFFAOYSA-N 380.448 4.721 0 40 GJAB CC[C@@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1ccc(Cl)cc1 12763696 TYHIXIPZYXSVAL-QGZVFWFLSA-N 377.941 4.669 0 40 GJAB O=C(CCc1ccco1)NCCCCOc1ccc(OCc2ccccc2)cc1 12824563 FKBRSZYRLDCXNB-UHFFFAOYSA-N 393.483 4.767 0 40 GJAB O=C(O)c1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Cl)c1 13167593 IRYCNBXDDHOLFU-UHFFFAOYSA-N 389.032 4.706 0 40 GJAB CCCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2)cs1 19525244 YJMPNHLINRWTOB-HXUWFJFHSA-N 392.528 4.838 0 40 GJAB COc1cc([C@@H]2CN(Cc3ccc(F)cc3)[C@@H]3CCC[C@H]23)cc(OC)c1OC 19549592 XPFKCAOXTKOTDL-HSALFYBXSA-N 385.479 4.620 0 40 GJAB O=C(NCc1ccccc1Cl)C1CCN(Cc2cccc(Cl)c2)CC1 20100359 GIKNRBYRQQFURP-UHFFFAOYSA-N 377.315 4.522 0 40 GJAB COc1ccc(SCC(=O)NCCSCc2c(F)cccc2Cl)cc1 20455705 YVQIQHRFXXXSOL-UHFFFAOYSA-N 399.940 4.629 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 20482874 RZYZMUVGKBBZHG-QGZVFWFLSA-N 375.852 4.540 0 40 GJAB C[C@@H]1CCC[C@H](N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 20569774 UWADVROSAKPYEC-HUVFLSCGSA-N 382.592 4.758 0 40 GJAB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1cccc(Cl)c1 21577162 HEZYVNUNPGSCRO-UHFFFAOYSA-N 391.899 4.596 0 40 GJAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3cccs3)ccc21 22508883 UTHABBCTUWAMAH-UHFFFAOYSA-N 387.505 4.800 0 40 GJAB Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 23157147 PWSSKSYDSPYWTM-KDOFPFPSSA-N 384.549 4.750 0 40 GJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 26024360 BGBPDONRAAKFQN-UHFFFAOYSA-N 376.243 4.720 0 40 GJAB CCc1ccc([C@@H](NCC(=O)N[C@@H](C)c2ccccc2)c2cccs2)cc1 29939439 LKICQLZRSSVPIC-GAJHUEQPSA-N 378.541 4.867 0 40 GJAB CC1=C[C@@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 30881570 KAFAXUYXGUYVNO-FKBYEOEOSA-N 388.596 4.550 0 40 GJAB biogenic,in-vitro COc1ccc(CNC(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)cc1OC 30991211 OKSMUGFHYUSGAE-NRFANRHFSA-N 396.512 4.663 0 40 GJAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(Cl)cc1Cl 31984618 ZGWCMXHYKLMADQ-UHFFFAOYSA-N 398.311 4.962 0 40 GJAB CC(C)N1CCC(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 32740456 PFWXKKBPBGXAKH-UHFFFAOYSA-N 392.499 4.614 0 40 GJAB CC(C)c1nnc(NC(=O)CCSc2ccccc2Br)s1 40131852 JSICPTWWMFUTNU-UHFFFAOYSA-N 386.340 4.545 0 40 GJAB CCC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078906 GIBZLEOKDVXDKO-HNNXBMFYSA-N 384.907 4.851 0 40 GJAB CCc1ccc2c(CN(Cc3cccs3)C[C@H]3CCCO3)cc(=O)oc2c1 57704224 LSYBNHXWKRNKBN-GOSISDBHSA-N 383.513 4.598 0 40 GJAB Cc1cc(C)c2c(C)c(C(=O)NCc3ccccc3-n3ccnc3C)sc2n1 61624213 JHWGQZKZVRJGIJ-UHFFFAOYSA-N 390.512 4.646 0 40 GJAB Cc1nc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)sc1C 61719653 PCGWIZJPMBPFAD-UHFFFAOYSA-N 380.498 4.926 0 40 GJAB COc1cccc(-c2cc3c(N4CCC(Cc5ccccc5)CC4)nccn3n2)c1 67284826 SNJYVRMTUWUSCL-UHFFFAOYSA-N 398.510 4.864 0 40 GJAB COC(=O)c1ccc(-c2ccc([C@H]3CC(O)=Nc4c3cnn4C(C)C)o2)cc1 71283590 GJUHEDVKZWLXJA-HNNXBMFYSA-N 379.416 4.634 0 40 GJAB FC(F)(F)Oc1ccc(NC(=S)Nc2cccc(CN3CCCC3)c2)cc1 71761641 ILDQJGUCHDZRNM-UHFFFAOYSA-N 395.450 4.990 0 40 GJAB COc1ccc2c(c1)OC[C@H](C(=O)Nc1c(F)cccc1Oc1ccccc1)C2 89467013 GOJDNHKGDZYNSC-MRXNPFEDSA-N 393.414 4.816 0 40 GJAB O=C1C[C@H](c2ccsc2)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96114198 XPNPKQSCYZUYBU-CQSZACIVSA-N 390.416 4.668 0 40 GJAB biogenic CC(C)(C)OC(=O)N1CC[C@]2(CCc3c(OCc4ccccc4)cccc3O2)C1 96319635 SPHYFRKZMYGMLC-XMMPIXPASA-N 395.499 4.970 0 40 GJAB Fc1ccc(N/C=C\c2nnnn2-c2ccc(-c3ccccc3)cc2)c(F)c1 100209425 GZSCTHYUSJWVDP-SEYXRHQNSA-N 375.382 4.690 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 105338769 FRJKPPCPXSHEII-KGLIPLIRSA-N 376.294 4.656 0 40 GJAB O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccccc1C(F)(F)F 206666782 NVDIAEWJLUISRA-UHFFFAOYSA-N 379.363 4.947 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 223273110 JTMCJWILMOBZPD-QFIPXVFZSA-N 394.559 4.650 0 40 GJAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1cc(C)c(C)cc1C)CCCC2 223500803 NKEIQTILLZQYJA-KRWDZBQOSA-N 387.545 4.539 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc2ccccc2c1 223622782 VWLRXUQQZOHODM-QHCPKHFHSA-N 377.484 4.809 0 40 GJAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1 224360222 RUFLYWSKCXCYCP-UHFFFAOYSA-N 375.468 4.637 0 40 GJAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(OC3CCCC3)cc2)cc1 224609244 MXWHSDVXIIXXNV-UHFFFAOYSA-N 389.517 4.622 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 224976410 DFMVCXMHZWQGEG-RTBURBONSA-N 398.572 4.501 0 40 GJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225702867 LAHMCZMXEHNJKI-QFIPXVFZSA-N 378.557 4.721 0 40 GJAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 260941139 RAEZAAZRMUJZOP-MBSDFSHPSA-N 394.534 4.794 0 40 GJAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)nc12 408626549 ICHZMPVBZAIYLH-UHFFFAOYSA-N 399.541 4.827 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)c1cc2cc(Br)ccc2oc1=O 408802607 ZIPGQVCICJOSFB-UHFFFAOYSA-N 392.636 4.770 0 40 GJAB CC(C)(CC(=O)N1CCC[C@](O)(C(F)(F)F)CC1)Cc1ccc(Cl)cc1 585082397 MNIQDGNOIVBDKK-GOSISDBHSA-N 391.861 4.605 0 40 GJAB CC(C)CCOc1ccc([C@@H](C)NC(=O)Nc2cnn(-c3ccncc3)c2)cc1 673862281 JHRIFUFVZDHCPA-QGZVFWFLSA-N 393.491 4.575 0 40 GJAB Cc1c(C(=O)N(C)[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)oc2ccccc12 1615139834 UZAQIQUQEBTHKP-CEMLEFRQSA-N 393.483 4.564 0 40 GJAB O=c1cc(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)c2ccc(O)cc2o1 1659950714 MSHPAORBJQORRV-GOSISDBHSA-N 389.373 4.855 0 40 GJAB Cc1nccn1[C@H]1C[C@H]2CN(C3CCCC3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242704 JOTFCOQRTSETHT-OXHIVJRSSA-N 383.511 4.604 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(C)c1 678092 JNOUJXYFQNKREP-UHFFFAOYSA-N 380.469 4.635 0 40 GJAB Cc1ccsc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 1013154 DBNVWBVLCFPRDW-GIDUJCDVSA-N 393.873 4.675 0 40 GJAB CC(C)OC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C)C3 1377254 CYNURRHXNODBOZ-NSHDSACASA-N 376.547 4.737 0 40 GJAB CCSc1nc(NC[C@@H]2CCCO2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2410990 MXLBJTPQFOXVDV-BUXKBTBVSA-N 393.578 4.636 0 40 GJAB N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2-c2ccccc21)C(=O)O 3954362 BZRSNJXOHYRQSB-FQEVSTJZSA-N 395.911 4.757 0 40 GJAB in-vitro O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)c1ccc(Cl)cc1 4356642 JDTZYPISHGYVKO-UHFFFAOYSA-N 384.844 4.501 0 40 GJAB Cc1ccc(N2C(=O)[C@@H]3CS[C@@H](c4ccc(C(F)(F)F)cc4)N3C2=O)cc1 4698494 QPFVHNLSKYARRB-RDJZCZTQSA-N 392.402 4.597 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1 5099449 ICLPKWHIULAEIC-UHFFFAOYSA-N 380.488 4.661 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)-c2ccccc2OC3)c(C)c1 5305483 FRYAYQZVBOCGTM-UHFFFAOYSA-N 393.464 4.720 0 40 GJAB Cc1ccc2c(c1)[C@@H]1CC(c3ccccc3Cl)=NN1C1(CCN(C)CC1)O2 5478180 PHWVKCMOJDUEQQ-FQEVSTJZSA-N 381.907 4.614 0 40 GJAB CCCCOc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1 5525128 BMHLFGLJULFBDW-JTHBVZDNSA-N 378.516 4.622 0 40 GJAB CC(C)C(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 5841810 WCYAKDMMAQQPCO-UHFFFAOYSA-N 395.684 4.949 0 40 GJAB Cc1ccc(C)c(C(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)c1 6087588 HXEZDQNTSWVGCF-UHFFFAOYSA-N 392.455 4.764 0 40 GJAB CN1CCCN(C(=O)c2ccccc2-c2ccccc2)c2nc3ccccc3nc21 6588767 WDUDXTVGKNMPGT-UHFFFAOYSA-N 394.478 4.784 0 40 GJAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=S)NC1CCCCC1 6784623 APRXMEQBJOZPME-UHFFFAOYSA-N 392.956 4.809 0 40 GJAB CSc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 7247453 NDBWOOAEVHQXJJ-UHFFFAOYSA-N 376.330 4.536 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)cc1 7406622 OASOHSATRLOOGD-UHFFFAOYSA-N 389.839 4.813 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)c(C)c1 7929259 CELDLUTXFYVMRE-OAQYLSRUSA-N 385.463 4.929 0 40 GJAB CCOCCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 8253144 RPXRBNQMKNXUEI-UHFFFAOYSA-N 381.875 4.583 0 40 GJAB C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(-n2cncn2)cc1 8271904 VHLXACIKUHRYQZ-IBGZPJMESA-N 396.494 4.667 0 40 GJAB C[C@H]1CC(=O)c2c(OCC(=O)N[C@H](C)c3ccc4ccccc4c3)ccc(F)c21 8327366 MCDUQAXWUQULPV-LSDHHAIUSA-N 391.442 4.925 0 40 GJAB COc1ccc(-c2c(C)s/c(=N\C(=O)C34CC5CC(CC(C5)C3)C4)n2C)cc1 8332387 ATCMCIZFGAOHHJ-GYHWCHFESA-N 396.556 4.714 0 40 GJAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Br)c1OC 8469795 YXTXHINAZPZKPT-UHFFFAOYSA-N 380.326 4.525 0 40 GJAB Cc1ccc(CN2CCC(C(=O)NCCc3ccc(C(C)C)cc3)CC2)cc1 9062609 IXIQHCMYOUIHAU-UHFFFAOYSA-N 378.560 4.689 0 40 GJAB O=C(c1cc(F)ccc1Br)N1CC=C(c2c[nH]c3ccccc23)CC1 11075088 UVSBSMMADKQIMU-UHFFFAOYSA-N 399.263 4.999 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 12602340 ZTWBEMWBLKRLPT-KDURUIRLSA-N 379.500 4.541 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H]1CCSc2c(F)cccc21 12622521 WRRSZQOVPAWEMZ-AWEZNQCLSA-N 385.489 4.620 0 40 GJAB CCOc1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1OCC 12655573 BAWQULLJWSBSCI-UHFFFAOYSA-N 389.249 4.964 0 40 GJAB O=C(c1ccco1)N1CCC(Nc2nc(-c3ccccc3)nc3ccccc23)CC1 12910903 ODPGIURMKUOKNW-UHFFFAOYSA-N 398.466 4.607 0 40 GJAB CC(=O)c1ccccc1OCCN1CCc2sccc2[C@@H]1c1ccccc1 12913570 KWMYAWRLUJWTSM-QHCPKHFHSA-N 377.509 4.977 0 40 GJAB COc1cc(OC)c(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1Cl 12922706 SSHUWDZJGXUSDV-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2sc(-c3cccs3)nc2C)c1 13002387 KQWBIXQXGWXSHV-LLVKDONJSA-N 388.514 4.688 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2cccc(Cl)c2Cl)cc1 13042199 HIOJBTLFPCRGNQ-GFCCVEGCSA-N 379.287 4.655 0 40 GJAB Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1Cl 13946191 BCDQLPKPFFWUGX-UHFFFAOYSA-N 380.810 4.774 0 40 GJAB CCc1cccc2c(/C=C3\NC(=S)N(c4ccc(C)c(C)c4)C3=O)c[nH]c12 15256019 DVLRMAGDGMTHLS-ODLFYWEKSA-N 375.497 4.609 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSCC(=O)Nc1ccc(Cl)cc1 15796400 OMFIXFNQBHFVNF-UHFFFAOYSA-N 383.300 4.612 0 40 GJAB CC[C@H](C(=O)NCC(C)(C)CNC(=O)[C@H](CC)c1ccccc1)c1ccccc1 17080689 YFOSGPVEFATTDF-SZPZYZBQSA-N 394.559 4.633 0 40 GJAB COc1cccc([C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)N(C)C)c1 18016961 GLSBTBOKQOSTSN-QHCPKHFHSA-N 390.483 4.520 0 40 GJAB CCCn1c(NC(=O)Cc2csc(-c3ccsc3)n2)nc2ccccc21 19200685 BPHKDXDVNRMNAZ-UHFFFAOYSA-N 382.514 4.813 0 40 GJAB CC(C)(C)c1ccc(C(=O)N[C@@H](N2CCCCC2)C(Cl)(Cl)Cl)cc1 19315914 JQAJHLAPGHANCW-INIZCTEOSA-N 391.770 4.896 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OC)ccc1Cl 20111157 VDDUFGAAGRKUNP-HNNXBMFYSA-N 382.243 4.576 0 40 GJAB COc1ccc(C(=O)NC[C@@H](c2ccccc2)C2CCCCC2)c(OC)c1OC 20247766 JZWQGESFCOGLNJ-FQEVSTJZSA-N 397.515 4.806 0 40 GJAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@H](c1ccccc1)C2 20634836 GTOYKCXTQAKIHM-QGZVFWFLSA-N 395.466 4.693 0 40 GJAB COc1ccc(CNC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 22479687 IQCCFPBOUYZXQF-UHFFFAOYSA-N 379.441 4.887 0 40 GJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@@H]1CCCc2ccccc21 25439953 FVGATQGKEYGVTF-JOCHJYFZSA-N 390.531 4.755 0 40 GJAB O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(C2SCCCS2)cc1 28257109 IITAQGDWXQAHTK-UHFFFAOYSA-N 399.537 4.901 0 40 GJAB O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)Nc1ccc(F)cc1 33012309 PFGMGKJGVNDEBW-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB CCc1nc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)sc1C 40119015 CPZBMESYIWTYTQ-UHFFFAOYSA-N 377.416 4.518 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44852965 HKPRYKSSUQBNGC-HXUWFJFHSA-N 380.532 4.568 0 40 GJAB C[C@@H](Nc1cccc(CN2CCCC2=O)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 45820966 IKTRVRJWHKWPDQ-QGZVFWFLSA-N 393.531 4.546 0 40 GJAB Cc1nc(SCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)oc1C 53721641 FBOLWNUHOZPSPC-UHFFFAOYSA-N 379.485 4.716 0 40 GJAB O=C(c1ccncc1)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349181 CZYYAXKJJAADLC-LJQANCHMSA-N 391.902 4.741 0 40 GJAB Cc1cc(C)n(-c2ccc(NCc3cc(Cl)cc4c3OCOC4)cc2F)n1 84105084 RZOVAMLOZNIDFD-UHFFFAOYSA-N 387.842 4.760 0 40 GJAB O=C(c1ccc(F)cc1Cl)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 90613813 BNANIIJXKJTFFC-INIZCTEOSA-N 388.653 5.000 0 40 GJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(F)cc1)c1nc3ccccc3nc12 100767665 IFLXSOWFCLCCJF-DHIUTWEWSA-N 375.447 4.737 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2cccc(F)c2)C[C@H](c2cccs2)C1 102739441 HFJDMGIHTIYPSS-APPDUMDISA-N 382.420 4.899 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(/C=C/C(=O)O)c1 107867303 YSQNKSXGOUWMCZ-MDZDMXLPSA-N 382.803 4.654 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219565507 KXGBMBGNFZNLJL-ZWKOTPCHSA-N 383.488 4.580 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 222987551 WTAKUYBBZXCZSP-RTWAWAEBSA-N 376.529 4.645 0 40 GJAB O=C(NCCOc1cccc2ccccc12)c1ccc(CN2CCCCC2)cc1 223535381 HIMGYBZVJRENMF-UHFFFAOYSA-N 388.511 4.635 0 40 GJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCC(Cc2ccccc2)CC1 225007247 YLCIPOOLPKEDQL-IBGZPJMESA-N 377.528 4.814 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053424 WTWIHXBYIJENLZ-GOSISDBHSA-N 392.480 4.549 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225204999 AYECGNKMBDMMBW-HRAATJIYSA-N 393.483 4.892 0 40 GJAB COC(=O)c1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 225519423 DIEQOPUKSJARLL-UHFFFAOYSA-N 376.481 4.549 0 40 GJAB COc1ccc(NC(=S)NCCCSCc2ccccc2C)cc1OC 225600332 XOZDDIIXZLHDIA-UHFFFAOYSA-N 390.574 4.622 0 40 GJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccccc2)s1 225697794 WRPRWKIWIKLZIO-CQSZACIVSA-N 375.453 4.764 0 40 GJAB CC(C)CSc1nnc(NC(=O)COc2ccccc2C(C)(C)C)s1 225728283 OSGRVRRAKDIBMZ-UHFFFAOYSA-N 379.551 4.601 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 225807174 XLCUJJWGXFLBKM-UHFFFAOYSA-N 384.545 4.906 0 40 GJAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(Br)cc1 226254885 PEXAKAAMMANWFA-ZDUSSCGKSA-N 388.309 4.662 0 40 GJAB COc1ccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Cl)cc1 408554404 DSJQJDZLIGRGRF-UHFFFAOYSA-N 396.874 4.978 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2ccc(C)c(C)c2)cc1 409117023 MVDZCJCANGBBJB-UHFFFAOYSA-N 381.497 4.992 0 40 GJAB C[C@@H]1CCc2sc(C(=O)N3CCC[C@H](c4cc(C(F)(F)F)n[nH]4)C3)cc2C1 461956494 HXIQKQZLJJRVQJ-NEPJUHHUSA-N 397.466 4.635 0 40 GJAB O=C(/C=C/c1ccccc1)N1CCC[C@@H](Cc2ccnc(Nc3ccccn3)c2)C1 585292470 NDVNFSJGKVPPCF-LEQVUBRHSA-N 398.510 4.715 0 40 GJAB Cc1ccc(-n2nc(C)c3c(N)c4c(nc32)C[C@@H](c2ccccc2)CC4=O)cc1 618256553 JOAJBGSRRCEWSO-QGZVFWFLSA-N 382.467 4.532 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCCCC2)cc1C 1505840553 AFJSSCUPSBXKGV-JOCHJYFZSA-N 378.516 4.550 0 40 GJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(OC(C)C)c1 812061 PRVLLHHEUALTPP-UHFFFAOYSA-N 394.427 4.580 0 40 GJAB Cc1nc(C(F)(F)F)c(C(=O)NC(=O)Nc2ccc(Cl)cc2Cl)s1 1397211 YGOFFIKKKMSRMY-UHFFFAOYSA-N 398.193 4.739 0 40 GJAB Cc1ccc(-n2ncc3c(SCC(=O)c4ccccc4Cl)ncnc32)cc1 2208932 CDKBVCJRDKGXBR-UHFFFAOYSA-N 394.887 4.752 0 40 GJAB O=C(COC(=O)c1ccccc1Nc1ccccc1)NCCC1=CCCCC1 3420556 GQXNJCHWBAUGEB-UHFFFAOYSA-N 378.472 4.594 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3c(c2)OCO3)cc1 3452911 WDLBYMSPQWNOBD-UHFFFAOYSA-N 397.434 4.829 0 40 GJAB Cc1ccccc1-c1nnc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)s1 4070424 VQPHLXRNHZISAK-UHFFFAOYSA-N 399.475 4.997 0 40 GJAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccccc1 4791154 NXJXAOVXDNBRSD-UHFFFAOYSA-N 399.903 4.820 0 40 GJAB Cc1cc(C)cc(NC(=O)N2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2)C3)c1 4888204 QYVIOXYHEQXNGG-FRIKZZABSA-N 391.515 4.651 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1nnc(Cc2ccccc2)s1 5549575 YNKTYVNXQXBEFX-UHFFFAOYSA-N 375.453 4.543 0 40 GJAB O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1ccc(F)cc1 5561185 IKFXDSDYHGOVBH-UHFFFAOYSA-N 398.850 4.583 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2)cc1OC 5573169 KKVGHSFNEHPDSN-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB CCN(C(=O)CSc1nnc(Nc2cccc(C)c2)s1)c1ccccc1 6623596 OFSSFWCJLHDKOA-UHFFFAOYSA-N 384.530 4.735 0 40 GJAB Cc1ccccc1NC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O 6624557 FPCHBEPWELEKDP-UHFFFAOYSA-N 375.424 4.954 0 40 GJAB biogenic Cc1cccc(C)c1NC(=O)COC(=O)CSc1ccc2ccccc2c1 6886331 KHTQHOLFIXUOQB-UHFFFAOYSA-N 379.481 4.731 0 40 GJAB Cc1ccc(Nc2nnc(S[C@@H](C(=O)N(C)C)c3ccccc3)s2)c(C)c1 6975585 SFXIMRXJLVEXJY-QGZVFWFLSA-N 398.557 4.820 0 40 GJAB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccncc3)c3ccccc3n2)cc1 7184040 DJEYNJAYNVUERB-INIZCTEOSA-N 383.451 4.796 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1Cc1ccco1 7903143 YXYNXBFZCNSHDM-UHFFFAOYSA-N 396.516 4.525 0 40 GJAB Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)oc2c1ccc1ccccc12 8014543 SPNQFWBPJSSMIL-CYBMUJFWSA-N 386.407 4.866 0 40 GJAB O=C(c1ccccc1)c1ccc(OCC(=O)N2CCC[C@@H]2c2cccs2)cc1 8036366 GGOWDEHUBOYKIY-HXUWFJFHSA-N 391.492 4.722 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(-c3ccccc3F)o2)N1C[C@@H]1CCCO1 8160229 VTCCJGMCBGDOTG-NYHFZMIOSA-N 392.430 4.831 0 40 GJAB CC1CCN(c2ccc(NC(=O)CN3CCC[C@H]3c3cccs3)cc2)CC1 8161276 IAVQXDZSIJEFHH-FQEVSTJZSA-N 383.561 4.760 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 8310448 ZBQPJADFMBCAAN-FQEVSTJZSA-N 390.483 4.657 0 40 GJAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccs3)ccc21 8959277 DOMGJBLIFOPKKD-UHFFFAOYSA-N 386.517 4.798 0 40 GJAB O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 9063672 MSTHTBBPQWXWLQ-UHFFFAOYSA-N 395.305 4.661 0 40 GJAB COc1cc(C(=O)O[C@@H]2CCCCC2=O)ccc1OCc1ccc(Cl)cc1 9247459 KUJLDFYBXRVFNT-GOSISDBHSA-N 388.847 4.596 0 40 GJAB Brc1ccc(-c2nnc(CSc3nc4ccccc4s3)o2)o1 9689845 OSLGZZSRGJPQIS-UHFFFAOYSA-N 394.275 4.994 0 40 GJAB O=C(Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)NCc1cccs1 11866118 OJKFBONGPQVBJF-UHFFFAOYSA-N 398.431 4.629 0 40 GJAB O=C(CS[C@H]1CCc2ccccc2N=C1O)Nc1cccc2ncccc12 12321460 RGLLVEMEHNLHMT-IBGZPJMESA-N 377.469 4.510 0 40 GJAB Cc1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)ccc2o1 12544772 JPDLFJIOOLUZFN-UHFFFAOYSA-N 390.770 4.609 0 40 GJAB Cn1cccc1[C@H]1CCCN1[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 12568003 SHTVCSQULVJSJJ-FGZHOGPDSA-N 377.463 4.681 0 40 GJAB C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 12803303 UACAXEHYYSWIJK-SFHVURJKSA-N 386.495 4.569 0 40 GJAB COc1cc(N)c(Cl)cc1C(=O)OCc1cc2ccc(C)cc2nc1Cl 12938818 RLDSMRDJQSPEGM-UHFFFAOYSA-N 391.254 4.798 0 40 GJAB CC(C)c1ccc(NC(=O)c2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 12993593 FGLPLSBVGWZSMK-UHFFFAOYSA-N 391.471 4.624 0 40 GJAB Cc1ccc([C@@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)cc1 15230857 ALUGMCSFUIYZJM-NRFANRHFSA-N 389.441 4.664 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)C1CCCCC1 15438755 YQSCMMWTDRKPAG-UHFFFAOYSA-N 392.908 4.660 0 40 GJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N3CCCCC3)no2)cc1 15859686 UCXONXCITIMZAH-IBGZPJMESA-N 395.528 4.669 0 40 GJAB Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCCN2Cc2ccnc3ccccc23)n1 19691037 JCEPYWVKCAIMCG-DEOSSOPVSA-N 395.510 4.920 0 40 GJAB O=C(Nc1nncs1)c1sc2cccc(F)c2c1COc1ccccc1 21216053 FZVPFONGOPVHJI-UHFFFAOYSA-N 385.445 4.723 0 40 GJAB O=C(NCC1(c2cccs2)CCOCC1)c1ccc(-c2ccccc2)cc1 23238137 PZEYXEUTKPTFLR-UHFFFAOYSA-N 377.509 4.893 0 40 GJAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3cccc(Cl)c3F)cc2)n1 32578609 HSPZXWIVPITVRI-UHFFFAOYSA-N 389.814 4.670 0 40 GJAB Cc1nc(COc2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)cs1 32836505 UNNAIGJSUWSSRS-OAQYLSRUSA-N 378.497 4.838 0 40 GJAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCC[C@@H](C)C3)c12 36615844 FVGSKFZVRVOHMR-MRXNPFEDSA-N 388.515 4.538 0 40 GJAB CCOc1ccc(CC(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)cc1 38671579 OBIRFXPEDOIYEJ-UHFFFAOYSA-N 391.515 4.594 0 40 GJAB CC[C@H](C)c1ccc([C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)C(C)C)cc1 40057989 ZRZTXGNMVKUDDT-OYHNWAKOSA-N 394.515 4.535 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(SC)cc2)c(OC)c1 40282853 CGVPFXGQSMFVCA-MRXNPFEDSA-N 395.484 4.735 0 40 GJAB Cc1cccc(CN(Cn2nc(-c3ccccc3F)n(C)c2=S)C2CC2)c1 48340516 LDYULPKDSRJXIL-UHFFFAOYSA-N 382.508 4.688 0 40 GJAB O=C(NCc1ccccc1C(F)(F)F)c1cc(-c2ccccc2Cl)[nH]n1 57413539 QBPTUTMCAVIHAD-UHFFFAOYSA-N 379.769 4.679 0 40 GJAB CCc1ccc2c(CN(Cc3cccs3)C[C@@H]3CCCO3)cc(=O)oc2c1 57704213 LSYBNHXWKRNKBN-SFHVURJKSA-N 383.513 4.598 0 40 GJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nc(N2CCCC2)ncc1Cl 72277158 ANACECSEBDFWQV-HKUYNNGSSA-N 398.938 4.529 0 40 GJAB O=C(COc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72357777 ICHMHHXNWHRDDW-QHCPKHFHSA-N 390.458 4.554 0 40 GJAB C[C@@H]1CCc2nc3ccccc3c(C(=O)N3CCC[C@@H](C(F)(F)F)C3)c2C1 84700138 ZIQCCJBNTPWNCN-ZIAGYGMSSA-N 376.422 4.774 0 40 GJAB CCCc1ccc(-c2ccc(NC(=O)C3CCN(C(=O)N(C)C)CC3)cc2)cc1 84758999 NBFRCEYJZDPQCQ-UHFFFAOYSA-N 393.531 4.638 0 40 GJAB C[C@@H](Sc1ccccc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 95481663 COPQXNDLDKIWJP-CYBMUJFWSA-N 387.892 4.529 0 40 GJAB O=C(CCc1ccccc1Br)N1CCC(c2ccsc2)CC1 96120614 WOQRYYYIGLLRTJ-UHFFFAOYSA-N 378.335 4.849 0 40 GJAB Cc1ccccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98073064 GKRGIEOKJXPGTO-UHFFFAOYSA-N 394.212 4.577 0 40 GJAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccccc1-c1cn2ccccc2n1 206898717 KHKATTVVHTXBBZ-UHFFFAOYSA-N 393.450 4.654 0 40 GJAB O=C(c1cc(Br)cs1)N1CCS[C@H](c2ccccc2)CC1 208042643 FIIWRZTXAVOLAU-AWEZNQCLSA-N 382.348 4.831 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 223000418 RQVWSIAXHNMCMT-LEWJYISDSA-N 397.515 4.888 0 40 GJAB COc1ccccc1Oc1ccc(NC(=S)NCc2ccc(F)cc2)cn1 223948701 VSRIZWDBWYESLT-UHFFFAOYSA-N 383.448 4.508 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1cccc(C)c1C 223963713 OQKPUJPLIAIJLD-NRFANRHFSA-N 383.532 4.954 0 40 GJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)c1 224538970 GTEHCSPKFQTMRD-SFTDATJTSA-N 392.528 4.650 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225802192 GRIAZFITXJKVGG-KSFYIVLOSA-N 393.524 4.965 0 40 GJAB Ic1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1 226247204 SYHXHVSMRLYACM-UHFFFAOYSA-N 386.192 4.890 0 40 GJAB O=C(Cn1ccc2ccc(Br)cc21)N1CCCC[C@@H]1c1cccnc1 247803428 XDXNBCOHWUHKDB-GOSISDBHSA-N 398.304 4.553 0 40 GJAB CCN(C(=O)c1onc(-c2ccc(Cl)cc2)c1[C@H](C)O)C1CCCCC1 253403742 QJWLREBZHIEIKE-ZDUSSCGKSA-N 376.884 4.843 0 40 GJAB biogenic,in-vitro CCCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1OC 408558832 WMMKUKJQJHYRND-UHFFFAOYSA-N 378.266 4.807 0 40 GJAB CCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 408575531 VLLXWSZQPHHDRN-FYWRMAATSA-N 392.480 4.872 0 40 GJAB NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 408624631 YJTNHAAHMHGLNO-UHFFFAOYSA-N 375.211 4.605 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1 408626512 HSPHJGZMBKSMDQ-UHFFFAOYSA-N 393.830 4.869 0 40 GJAB Cc1ccc(N=c2[nH]c(-c3ccc(F)cc3)c(CC(=O)O)s2)cc1Cl 408887889 RVTYEKYLNFMYFR-UHFFFAOYSA-N 376.840 4.704 0 40 GJAB COc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(Cc3ccc(F)cc3)n2)c1 585265560 OBQJHYBJZOLFKS-UHFFFAOYSA-N 395.430 4.973 0 40 GJAB Oc1nc(CN2CCc3cc(C(F)(F)F)ccc3C2)nc2ccc(Cl)cc12 626007645 OSZOBYBXUBEVIK-UHFFFAOYSA-N 393.796 4.566 0 40 GJAB Cc1ccncc1Cc1nc(-c2ccc(NC(=O)CC3CCCC3)cc2)no1 664783419 SANQVOPVJJYOQT-UHFFFAOYSA-N 376.460 4.550 0 40 GJAB O=C(CSc1ccc(F)cc1)NC[C@@H](O)c1ccc(-c2ccsc2)s1 1775965457 VFJUTLDJWDBGMJ-OAHLLOKOSA-N 393.530 4.558 0 40 GJAB O=C(CSc1cc(=O)oc2ccccc12)Nc1ccc(Cl)c(Cl)c1 984115 CDEPBXFUIWEGDQ-UHFFFAOYSA-N 380.252 4.831 0 40 GJAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)c3ccccc3)c(=O)[nH]c2c1 1358579 IRNOOYWTPLARBN-UHFFFAOYSA-N 388.492 4.741 0 40 GJAB CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccco1 1364360 CPSNMHTVJPBCHL-UHFFFAOYSA-N 384.505 4.604 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC(=O)N1Cc1ccccc1Cl 1389863 NIKPNPZWLLKONU-MRXNPFEDSA-N 397.689 4.777 0 40 GJAB CCCCSc1nc(NC[C@@H](C)O)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2423494 CYQUGIJRQGOHNL-BLVKFPJESA-N 395.594 4.618 0 40 GJAB Cc1cc(-c2csc(NC(=O)/C=C/c3ccco3)n2)c(C)n1C[C@H]1CCCO1 2651294 XFIWOSUPYYZPOE-IWAYRVGRSA-N 397.500 4.652 0 40 GJAB Cc1cc(NC(=O)/C=C/c2cccs2)n(-c2ccccc2C(F)(F)F)n1 3215989 PKLCKHIGKGAWAC-CMDGGOBGSA-N 377.391 4.913 0 40 GJAB Cc1cc(C)cc(O[C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)c1 3253457 GVTQQKKIBNHESD-UXHICEINSA-N 393.936 4.625 0 40 GJAB Cc1cc(C)c(-c2nnc(NC(=O)COc3ccc(Cl)cc3)s2)c(C)c1 4079133 KUMFCFAFFBEERS-UHFFFAOYSA-N 387.892 4.801 0 40 GJAB Cc1ccc(-n2nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1 4316295 FGMQKJGRPWGHIR-UHFFFAOYSA-N 384.439 4.929 0 40 GJAB Cc1ccc(S(=O)(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 4727415 WWSOTWYIPZEDDC-ZPSAWSNLSA-N 389.520 4.571 0 40 GJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)cc2)n2c(nc3ccccc32)N1 4741899 RSERZJANTGQDDB-NRFANRHFSA-N 391.471 4.677 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2ccc(F)cc2)s1 4889276 XPSUJJUPLUTXSS-UHFFFAOYSA-N 376.840 4.544 0 40 GJAB COc1cccc(-c2ocnc2C(=O)Nc2ccccc2N2CCCCC2)c1 4932763 DHAFAXDEBWPRQP-UHFFFAOYSA-N 377.444 4.593 0 40 GJAB O=c1nc(SCc2cccc3ccccc23)c2c(n1Cc1ccco1)CCC2 4940135 MAGDLUDVEMPSKK-UHFFFAOYSA-N 388.492 4.819 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 5553459 UBBKWEDWYYSZIE-AWEZNQCLSA-N 388.508 4.649 0 40 GJAB CCCCOc1cccc(C(=O)Nc2nc3ccc(C(=O)OCC)cc3s2)c1 6323580 XOBXKJRUOHGMGB-UHFFFAOYSA-N 398.484 4.904 0 40 GJAB CCc1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 6626177 AJBNZKIHTYZCBR-UHFFFAOYSA-N 381.907 4.728 0 40 GJAB CN(C)C(=O)[C@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1 6842409 IQWSEFASDHMTEP-OAHLLOKOSA-N 386.662 4.633 0 40 GJAB Cc1cccc(Oc2ccc(NC(=O)CCNC(=O)Nc3ccccc3)cc2)c1 6981988 BWOMVNBZSPKIHQ-UHFFFAOYSA-N 389.455 4.938 0 40 GJAB c1ccc(-c2cc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)no2)cc1 8156725 XWBUCAUIKFSIBR-SFHVURJKSA-N 393.424 4.529 0 40 GJAB CC[C@@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2F)n(C)c1=S 8186500 VBYMDKSKXUZOJX-MRXNPFEDSA-N 388.537 4.786 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C2CCCC2)c2ccccc2)cc1 8230601 MPXMCUUWILYUGG-IBGZPJMESA-N 393.516 4.569 0 40 GJAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 8475453 RMFFIKRPNRHIQB-CQSZACIVSA-N 388.398 4.717 0 40 GJAB COc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1C(C)C 8478133 JGAILKSGDSKRHK-UHFFFAOYSA-N 399.965 4.543 0 40 GJAB CN(Cc1ccsc1)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 9595271 DSALLOGLCIRBQT-UHFFFAOYSA-N 387.508 4.932 0 40 GJAB Cc1ccc(C)c(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 10315236 RTRQQYTZMYDMQT-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(NCc1ccccc1OC(F)(F)F)c1ncc(Cl)c(Cl)c1Cl 10995995 RJLJNKMEDWGNOX-UHFFFAOYSA-N 399.583 4.870 0 40 GJAB O=C(c1ccc(Br)cc1)N1CCC(c2nc3ccccc3o2)CC1 11914651 DWDQJSCCMNEFJH-UHFFFAOYSA-N 385.261 4.610 0 40 GJAB CCc1cc(C(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)no1 12186534 YUZZVDLVUNNSKH-HXUWFJFHSA-N 395.459 4.658 0 40 GJAB Cc1sc2nc(SCC(=O)C(C)(C)C)n(C3CCCC3)c(=O)c2c1C 12801680 MGEYJROSXLBQER-UHFFFAOYSA-N 378.563 4.897 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)c1 13690000 RDZBHNUGJHMQPH-UHFFFAOYSA-N 391.452 4.516 0 40 GJAB Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13777262 VVUPZNIMWNJEHN-WMZHIEFXSA-N 388.398 4.797 0 40 GJAB CCCCOCCCNC(=O)CCC(=O)NC1CCCCCCCCCCC1 13896722 BJVVIQJRSJKVOI-UHFFFAOYSA-N 396.616 4.879 0 40 GJAB O=C1C[C@@H](c2ccc(F)cc2F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15107214 HZYLAVCTAUHUIG-ZDUSSCGKSA-N 385.391 4.866 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 16349076 KMYJEDCXKNCMFQ-UHFFFAOYSA-N 386.480 4.665 0 40 GJAB O=C(Cc1ccccc1Br)Nc1ccc(C(=O)c2ccccc2)cc1 18194590 WYZASTVJMUIXNV-UHFFFAOYSA-N 394.268 4.861 0 40 GJAB COc1cc(OC)c(NC(=O)c2cc(F)ccc2Br)cc1Cl 19201760 YIODFIGXILABCG-UHFFFAOYSA-N 388.620 4.511 0 40 GJAB O=C(NC1CCCCC1)N(Cc1nc(-c2cccs2)no1)C1CCCCC1 20103600 FKRRULZCPMTXGQ-UHFFFAOYSA-N 388.537 4.975 0 40 GJAB Cn1ccnc1[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1cccc(F)c1 26741444 CNGYVULDENODEZ-KCQSEKJDSA-N 391.490 4.776 0 40 GJAB CCC1=C(O)[C@H](CN2CCC(C)CC2)[C@@H]2OC(=O)C=C(c3ccccc3)C2=C1 28120511 QSKDUZHVPFHIOF-XUZZJYLKSA-N 379.500 4.506 0 40 GJAB Cc1noc(C)c1CN1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 29820501 NNSWMVLJOKUTFW-KRWDZBQOSA-N 382.291 4.591 0 40 GJAB O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)NCCc1ccccc1 31423585 UEEGPMFBDQRNJC-UHFFFAOYSA-N 386.904 4.587 0 40 GJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N(C)C)no2)cc1C 32623107 CQJTZZSWCSIYIB-FQEVSTJZSA-N 397.906 4.645 0 40 GJAB O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)[C@@H](CCO)S1 36633824 CPFMZAMZTISOIR-QZTJIDSGSA-N 399.903 4.507 0 40 GJAB CCN1C(=O)c2cc(NC(=O)NCc3ccccc3)ccc2Oc2ccccc21 36705401 HAXCBOQOGICRAJ-UHFFFAOYSA-N 387.439 4.781 0 40 GJAB COc1cccc([C@@H]2CCCN2C(=O)c2ccc(Br)cc2F)c1 40034410 GTAKPKDVHYUINH-KRWDZBQOSA-N 378.241 4.574 0 40 GJAB Cc1nc(NC(=O)CCSc2ncnc3sc(C)c(C)c23)sc1C 40288245 YAGPRXVIAWHRLH-UHFFFAOYSA-N 378.548 4.502 0 40 GJAB Cc1ccc(/C=C/c2ccnc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c23)cc1 40388419 NFMHBCLCIDIEML-FMQWLBJXSA-N 394.478 4.880 0 40 GJAB COc1cc(OC)c2[nH]c(C(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)C3CC3)cc2c1 42058255 MQRWCCUSAATREF-SCLBCKFNSA-N 394.471 4.706 0 40 GJAB Cc1[nH]c(=S)sc1CC(=O)N(Cc1cccc(Br)c1)C1CC1 45399027 QAUSIPIINUQMJN-UHFFFAOYSA-N 397.363 4.610 0 40 GJAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(CN2C[C@@H](C)C[C@@H](C)C2)cc1 48310906 ANWSZHACTZTFSZ-CALCHBBNSA-N 383.536 4.514 0 40 GJAB COc1ccc(CNCc2ccc(-c3ccccc3F)s2)c(OC)c1OC 48747735 GOFUYKYNYNHNFS-UHFFFAOYSA-N 387.476 4.870 0 40 GJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cc(OC)ccc1F)NC2 55028092 FCBRLORQVUWBRL-QHCPKHFHSA-N 396.462 4.615 0 40 GJAB Oc1ccc([C@@H]2CCCN2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 58433265 OPWBTUJKJJAGBI-KRWDZBQOSA-N 389.377 4.798 0 40 GJAB C[C@@H](c1ccc(F)cc1)N(C)Cc1nc(-c2cc(Br)cs2)no1 59831896 ZBLCGWCQABYAEN-JTQLQIEISA-N 396.285 4.893 0 40 GJAB COc1ccccc1Cc1cccc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 72348642 FLQNGSBEKCWDQW-NRFANRHFSA-N 386.495 4.701 0 40 GJAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(C/C=C/c3ccccc3)C2)no1 72352781 BOXIEKSUOUGKHM-WUTDNEBXSA-N 393.531 4.630 0 40 GJAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)c(F)c1 96062675 WUJSUKXGCZFJHB-UHFFFAOYSA-N 399.429 4.612 0 40 GJAB COc1cc(F)c(C(=O)Nc2ccc(Sc3cccs3)cn2)cc1OC 98013091 MIMVCPJGOQHPHM-UHFFFAOYSA-N 390.461 4.703 0 40 GJAB CC1(C)[C@@]2(C(=O)Nc3ccc(Cl)cn3)CC[C@@]1(C)c1nc3ccccc3nc12 100926051 VLCBARWWNGCOCQ-VXKWHMMOSA-N 392.890 4.646 0 40 GJAB O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 105013412 WSZAHMDAMRDYIQ-LJQANCHMSA-N 399.878 4.960 0 40 GJAB CC(=O)Nc1cccc(OC(=O)c2ccc(COc3cccc(C)c3)cc2)c1 108039953 NLVQPKZBAIBCAI-UHFFFAOYSA-N 375.424 4.752 0 40 GJAB Cc1nc2ccccn2c1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 219032928 PPAMKJAWDIOOLH-QGZVFWFLSA-N 385.920 4.617 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 222930945 UPEVESMPBNPRIX-RTWAWAEBSA-N 394.519 4.640 0 40 GJAB CC(C)CSc1nnc(NC(=O)c2ccc(N3CCCCC3)cc2)s1 223600655 GDBBBAQBIOBZOR-UHFFFAOYSA-N 376.551 4.529 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224446111 CSJPLCWHRUNFSK-FQEVSTJZSA-N 389.923 4.990 0 40 GJAB CSc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)c1 225449341 QATDVDSBCNVUMS-ZHZULCJRSA-N 392.480 4.720 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225623394 ONEJTXUSUMKGRC-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257258021 KSBNCGGAPKRUDX-OAQYLSRUSA-N 390.483 4.570 0 40 GJAB COc1cccc(Oc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)c1 408618241 FGURLRKVRVDHQR-UHFFFAOYSA-N 379.412 4.757 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(C)c3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409349515 UAPNWCKVYBDFJC-QINHECLXSA-N 396.453 4.910 0 40 GJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)c(OC)c1 504646089 HHQJJPINVCIKAC-CAOCKLPOSA-N 395.543 4.881 0 40 GJAB biogenic O=C(NCC1CCN(c2ccncc2)CC1)c1cccc(Oc2ccccc2)c1 536748581 RDENYULJDKDIBU-UHFFFAOYSA-N 387.483 4.520 0 40 GJAB COc1cccc(CN2CCC[C@H](c3cccc(Nc4nccs4)n3)C2)c1 2037834757 KVQQBTIICJDOJE-KRWDZBQOSA-N 380.517 4.670 0 40 GJAB CC(=O)Oc1ccc2c(=O)c(Oc3ccc(Br)cc3)c(C)oc2c1 947944 BOYARHQUYRSESA-UHFFFAOYSA-N 389.201 4.582 0 40 GJAB Cc1ccc(/C=C2/C(=O)N(c3cc(Cl)cc(Cl)c3)C(=S)N=C2O)o1 1175031 RKTADGAEHCYLEY-NTUHNPAUSA-N 381.240 4.566 0 40 GJAB CCCN(C(=O)c1ccccc1C)c1nnc(-c2ccc(OCC)cc2)s1 1345551 GTIRHKFTGYBYPN-UHFFFAOYSA-N 381.501 4.969 0 40 GJAB CC(=O)Nc1ccc(Sc2ccccc2C(=O)Nc2ccc(F)cc2)cn1 1392509 RNXBIGOMULEHRD-UHFFFAOYSA-N 381.432 4.583 0 40 GJAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)Nc1cccc(Cl)c1 2266202 RWNWGBMNYZIGOF-UHFFFAOYSA-N 387.823 4.651 0 40 GJAB CCCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 2624557 XXTOWKBXOAVHDR-CYBMUJFWSA-N 396.468 4.781 0 40 GJAB CCCSc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1cccc(Cl)c1 3134486 MCIHIPYUDYVYLC-UHFFFAOYSA-N 399.903 4.640 0 40 GJAB Cc1cccc(OCCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1 3340349 HJCMZQJXUYMOST-UHFFFAOYSA-N 386.447 4.761 0 40 GJAB CCc1ccc(Nc2nnc(SCC(=O)N(C(C)C)C(C)C)s2)cc1 3461308 GVZUXDPYSVZNNR-UHFFFAOYSA-N 378.567 4.582 0 40 GJAB O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1cccc(Cl)c1Cl 5307820 PRWUFHKOYBDWLZ-UHFFFAOYSA-N 384.284 4.729 0 40 GJAB O=c1c2c(nc3n1CCCS3)c1ccccc1n2Cc1cccc(Cl)c1 5451241 AWGLMNIFFJUGKG-UHFFFAOYSA-N 381.888 4.549 0 40 GJAB CC(C)c1ccccc1NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12 5938170 FIGQVJDIPGCDGU-LJQANCHMSA-N 378.501 4.916 0 40 GJAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccccc1Oc1ccccc1 6879171 GFMYNYUPXFDQBY-UHFFFAOYSA-N 375.428 4.629 0 40 GJAB C[C@H](OC(=O)c1cncc(Br)c1)C(=O)c1ccc(C(C)(C)C)cc1 6916747 ZZBJHRWKHJCLHM-LBPRGKRZSA-N 390.277 4.570 0 40 GJAB COc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccccc1F 7274925 PKGFUJZHVMSWKA-UHFFFAOYSA-N 386.854 4.752 0 40 GJAB Cc1cc(=O)oc2c(C)c(OC(=O)/C=C/c3nc4ccccc4s3)ccc12 7781515 GRLCKLQVTAUXDY-MDZDMXLPSA-N 377.421 4.638 0 40 GJAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1Br 7794110 DTRAZVYCWNTJKY-UHFFFAOYSA-N 387.199 4.786 0 40 GJAB CC[C@H](Oc1ccccc1)C(=O)NCCSCc1c(F)cccc1Cl 8041623 NNLZLKGOEAYNGA-SFHVURJKSA-N 381.900 4.686 0 40 GJAB CCc1ccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 8102749 VUEHNWIVRGRHRL-QGZVFWFLSA-N 380.513 4.644 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 8336306 IFYISHNIXNPDJA-UHFFFAOYSA-N 397.814 4.516 0 40 GJAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 9461742 BQGSWPRMDCYTGO-UHFFFAOYSA-N 376.500 4.878 0 40 GJAB C[C@@H](SCc1ccc(Br)cc1F)C(=O)NCCc1ccccc1 9594978 KCNNUPHDUNDHMK-CYBMUJFWSA-N 396.325 4.569 0 40 GJAB COc1ccc(Cl)cc1CN(C)C(=O)c1csc(-c2cccs2)n1 10279970 DVGGEEJCUKXTPU-UHFFFAOYSA-N 378.906 4.806 0 40 GJAB CC(C)[C@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1 10368018 HPOZIELEEIFABJ-FQEVSTJZSA-N 399.922 4.885 0 40 GJAB COc1cc(Cl)c(NCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1OC 11100992 AGIJJMATMDHLHO-CQSZACIVSA-N 398.890 4.800 0 40 GJAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2oc3ccccc3c2c1 12733075 BLGBBFHKWJNUQP-UHFFFAOYSA-N 397.434 4.784 0 40 GJAB NC(=O)c1ccccc1OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 12775529 DTNDVIOWUTVGQD-UHFFFAOYSA-N 378.375 4.507 0 40 GJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 12880197 DJBXNRWJGDXHDA-QGPMSJSTSA-N 387.911 4.798 0 40 GJAB CCOc1cc2c(cc1NC(=O)COc1cc(Cl)ccc1Cl)O[C@@H](C)C2 12999734 GMWLDGYOGMARQQ-NSHDSACASA-N 396.270 4.733 0 40 GJAB O=c1oc2ccccc2cc1-c1csc(SCc2cn3ccccc3n2)n1 16525694 VEDSOUCEKNHWLI-UHFFFAOYSA-N 391.477 4.857 0 40 GJAB CC(C)CCc1cc(=O)[nH]c(Nc2nc(-c3ccccc3)c3ccccc3n2)n1 20798215 YRWGALNXUYWQKU-UHFFFAOYSA-N 385.471 4.712 0 40 GJAB CCCC(=O)NC[C@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 21789294 DMDMHOSEISFCQH-GOSISDBHSA-N 380.488 4.623 0 40 GJAB O=C1/C(=C/c2ccc(-c3ccccc3F)s2)N=C(S)N1Cc1ccco1 24751526 JNYUFLLKQGPZNR-YBEGLDIGSA-N 384.457 4.816 0 40 GJAB Cc1c(C(=O)Nc2onc3c2C[C@@H](C)CC3)oc2ccc(Br)cc12 27794725 HXLYOODWXMMJAF-VIFPVBQESA-N 389.249 4.869 0 40 GJAB CCCOc1ccccc1C(=O)NCCc1csc(-c2ccc(OC)cc2)n1 28251622 ZKERCQSHJRKKMB-UHFFFAOYSA-N 396.512 4.580 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OCC 30870449 XZNGSVBDOHKLTM-LSDHHAIUSA-N 391.895 4.782 0 40 GJAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)oc1NC1CC1 35475981 GRPTVDXXIPPWEF-UHFFFAOYSA-N 392.839 4.541 0 40 GJAB Cc1oc2ncn(C3CCCCC3)c(=O)c2c1C(=O)Nc1ccc(Cl)cc1 35672378 JJBXPSAXKNYTPS-UHFFFAOYSA-N 385.851 4.709 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(=O)c(OCc2ccccc2)co1 36358566 ZAWGCVYOAXTMCJ-UHFFFAOYSA-N 390.222 4.778 0 40 GJAB O=c1nc2n(c3sc4c(c13)CCCC4)[C@@H](CSc1ccccc1)CS2 36636125 KSZPXZVSJDMIFA-LBPRGKRZSA-N 386.567 4.776 0 40 GJAB Cc1cc(=O)oc2cc(OCc3ccccc3)c(CCC(=O)OC(C)C)cc12 41432934 WTJNZCGAQXHLQI-UHFFFAOYSA-N 380.440 4.565 0 40 GJAB biogenic CC(C)(C)c1ccc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44874976 WFOKDRAFHNCRAP-UHFFFAOYSA-N 394.559 4.665 0 40 GJAB COc1ccc(SCC(=O)Nc2ccc(Br)c(C)c2)cc1OC 44880029 KYGGEINDNKKZMZ-UHFFFAOYSA-N 396.306 4.506 0 40 GJAB CC(C)(C)NC(=O)c1sc2c(NC(=O)C(F)(F)F)cccc2c1Cl 57316820 VRMSWVBSTZVFRM-UHFFFAOYSA-N 378.803 4.584 0 40 GJAB COc1ccc(C)cc1NCCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 58022979 VXDIHZPROOHWRT-QFIPXVFZSA-N 398.503 4.912 0 40 GJAB CCOC(=O)c1cc2cc(NC(=O)N3CCc4ccccc4C3)ccc2s1 59041594 RJTFOWDQHMSQCE-UHFFFAOYSA-N 380.469 4.668 0 40 GJAB Cc1ccc(NC(=O)CSc2ccc(NCc3ccccc3)nn2)cc1Cl 64944732 ZQLXVUKURJWZGS-UHFFFAOYSA-N 398.919 4.781 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)c1 71769101 QPFPRFBHWMZRTA-UHFFFAOYSA-N 388.496 4.973 0 40 GJAB CC(C)n1c(CCNC(=O)Cc2ccc(Cl)cc2Cl)nc2ccccc21 72288860 FFFYQXSDEIAIMH-UHFFFAOYSA-N 390.314 4.825 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72357986 VIHUXIVUSJBNQD-QHCPKHFHSA-N 392.449 4.857 0 40 GJAB FC(F)(F)c1nnc(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)o1 77198039 JYCJKZTWUUGBBM-UHFFFAOYSA-N 380.197 4.775 0 40 GJAB C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(N2CCOC2=O)cc1 84651566 SCYWRXLHIPPKQQ-SNVBAGLBSA-N 385.773 4.884 0 40 GJAB CC(C)n1cc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)c2ccccc2c1=O 96232358 WJCDOYHLDATSND-JOCHJYFZSA-N 399.494 4.871 0 40 GJAB Cc1cc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)ccc1F 96305706 UZXPOVNFSTYPPN-UHFFFAOYSA-N 386.231 4.757 0 40 GJAB Cc1ccccc1[C@H]1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CCS1 207003221 AIGCDWSDOSROLT-JOCHJYFZSA-N 391.540 4.716 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(C(C)C)cc1 218962931 VTUOSQNYHBLFDL-HXUWFJFHSA-N 383.488 4.616 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1OCC 219022708 IBXWJIHLWVUXAC-KRWDZBQOSA-N 393.483 4.721 0 40 GJAB C[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc2c(c1)OCCO2 222700640 KCJLCZXIPWUUTK-GOSISDBHSA-N 387.479 4.734 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 222851659 NTAIFFFNMNZWPL-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 223768636 UILABSCQOLTULG-RTWAWAEBSA-N 392.528 4.650 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225699102 PHJVMOVURMATTA-AUSIDOKSSA-N 390.568 4.721 0 40 GJAB CCO[C@]1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCC[C@H](C)C1 225715767 JACAQXOYTCEJSS-WMZHIEFXSA-N 390.568 4.721 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1snnc1-c1ccc(Cl)cc1 225769846 GKQCFZPEPGOUGR-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB COC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OC)ccc1OC(C)C 225798143 MWEWYDUOKBCUGI-UHFFFAOYSA-N 393.524 4.676 0 40 GJAB COC(=O)c1cccc(NC(=S)NCCCc2cccc3ccccc23)c1 225809016 YHNFIVOUGCHGIB-UHFFFAOYSA-N 378.497 4.546 0 40 GJAB Cc1cccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c1 408583151 RXLQGRQPOFHVRN-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB O=C(Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1)c1ocnc1C(F)F 625136334 KFSOOEGVJDXUIS-UHFFFAOYSA-N 393.390 4.928 0 40 GJAB O=S(=O)(NCc1cc(-c2ccoc2)cs1)c1cccc(C(F)(F)F)c1 1775971812 NNIYYUNDTGPILX-UHFFFAOYSA-N 387.404 4.505 0 40 GJAB O=C(C1CC(F)(F)C1)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 2055745732 XDMQAELMILTQRE-UHFFFAOYSA-N 382.454 4.744 0 40 GJAB COc1ccccc1NC(=O)c1sc2nc3c(C)cc(C)cc3cc2c1N 1342962 SBRVLUAPXNKGRK-UHFFFAOYSA-N 377.469 4.909 0 40 GJAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1 2349215 WVIKTHFAJJUBSS-CLOONOSVSA-N 381.840 4.817 0 40 GJAB O=C1C[C@@H](c2ccccc2Cl)Cc2nc(N3CCc4ccccc43)ncc21 2435015 PWUCEIORIXZWDQ-HNNXBMFYSA-N 375.859 4.737 0 40 GJAB O=C(NCCc1nc2ccccc2n1C/C=C/c1ccccc1)C1CCCCC1 4384996 VBWSRXWCSKGVFF-FMIVXFBMSA-N 387.527 4.989 0 40 GJAB CCOc1ccc([C@@H]2C[C@H](c3cccc4ccccc34)n3nc(N)nc3N2)cc1 4685335 XWZYOVNVBZESSJ-LEWJYISDSA-N 385.471 4.559 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2c(C)cccc2CC)cc1OC 6152434 AEDHNCDVGCCDHH-UHFFFAOYSA-N 392.293 4.980 0 40 GJAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCCCCC1 6200709 XHJOODDYXAQDSF-IBGZPJMESA-N 392.543 4.552 0 40 GJAB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OC(C)C 6324885 RWUYHHNSRGFWMG-QFAYSNGYSA-N 376.522 4.572 0 40 GJAB CCOc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 6617350 XNPKOBXBPDQORK-UHFFFAOYSA-N 398.484 4.543 0 40 GJAB COc1cc(C(=O)O[C@H]2CCCCC2=O)ccc1OCc1ccccc1Cl 6640919 AQLQYNLIBYADPH-SFHVURJKSA-N 388.847 4.596 0 40 GJAB CCn1c(C)nc2cc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)ccc21 6654058 TXHGVRSATNBCCE-UHFFFAOYSA-N 388.500 4.563 0 40 GJAB CN(CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc(-c2ccccc2)cc1 6785176 QPWFOOYEIUXXOF-UHFFFAOYSA-N 394.902 4.956 0 40 GJAB COc1ccccc1[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)N(C)C 7671200 ZZHUJUUNTJQZDR-JOCHJYFZSA-N 390.483 4.520 0 40 GJAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 7848240 ARJGCRKIWQYZTR-LBPRGKRZSA-N 392.286 4.559 0 40 GJAB CCCOC(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 7995665 XMWDASPKQUHCGN-UHFFFAOYSA-N 380.469 4.558 0 40 GJAB Cc1nc(SCC(=O)N2CC[C@H]3CCCC[C@@H]3C2)c2c(C)c(C)sc2n1 8560414 ZWLJAPQIMIACMF-HZPDHXFCSA-N 389.590 4.747 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3ccccc3C)c3ccccc3)c(=O)[nH]c2c1 9427379 FXYSZZIIHKKFHO-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 9834836 QZLSVCZVDXZLAR-QWFCFKBJSA-N 382.504 4.959 0 40 GJAB CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cccs3)C[C@H]21 10216137 FMVNODGSQFGOKT-UTKZUKDTSA-N 377.469 4.784 0 40 GJAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccc(Cl)cc3)sc2C1 11917325 GBTGVEDKMUZQNT-GFCCVEGCSA-N 378.925 4.965 0 40 GJAB C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)c1ccc(F)c(F)c1 12925029 IALDNVGEUQYIAY-CYBMUJFWSA-N 382.362 4.766 0 40 GJAB CC[C@H](C)N(Cc1ccccc1)C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 13008473 SBQWMUZTMBLXPA-UJGDBWEASA-N 383.488 4.553 0 40 GJAB CCc1ccc(-n2c3c(c(SCc4ccccc4C)nc2=O)CCC3)cc1 15840518 OBFBQQNAOZNMKC-UHFFFAOYSA-N 376.525 4.884 0 40 GJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCCC)c1 16751963 BGYIGMPYDQSYKA-NRFANRHFSA-N 391.467 4.927 0 40 GJAB O=C(NCc1cc(-c2ccccc2)nc(-c2ccccn2)n1)OCc1ccccc1 19700816 YMMYDDHUDHAHDZ-UHFFFAOYSA-N 396.450 4.632 0 40 GJAB C[C@H]1CCC[C@@H](N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)C1 19841863 RYYHMGASSLYPIG-NZQKXSOJSA-N 376.544 4.541 0 40 GJAB O=C(Nc1ccccc1Sc1ccccc1)c1cnc(-c2ccccc2)[nH]c1=O 19937306 CKVLWVSMKFHGDL-UHFFFAOYSA-N 399.475 4.840 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 20412218 HZQZUQYBSFONGK-UHFFFAOYSA-N 396.512 4.611 0 40 GJAB C[C@@H](OCCCNC(=O)CCCc1nc2ccccc2s1)c1ccccc1 24838625 LYMBOEZLSWAMCT-QGZVFWFLSA-N 382.529 4.903 0 40 GJAB O=C(COc1ccccc1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 29013032 YAVZRHWTUJEKQI-UHFFFAOYSA-N 378.375 4.846 0 40 GJAB COc1ccc(-c2cc(C(F)F)nc(N3CCc4ccccc4C3)n2)cc1OC 36618571 HEOFWQLTIIJZEP-UHFFFAOYSA-N 397.425 4.661 0 40 GJAB CC(C)(C)c1cc(=O)n2c3ccccc3n(Cc3c(F)cccc3Cl)c2n1 40484765 FTKOHOHWUMCGDO-UHFFFAOYSA-N 383.854 4.788 0 40 GJAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)C(C)(C)C 45890779 BTECECRYWIIKSI-UHFFFAOYSA-N 392.135 4.649 0 40 GJAB CC(=O)Nc1ccc(NC(=O)CCSc2ccccc2Br)cc1 46571936 TYSVXYLYBOEQEB-UHFFFAOYSA-N 393.306 4.528 0 40 GJAB CC(C)COc1ccc(-c2noc(Cc3nnc(-c4ccc(F)cc4)o3)n2)cc1 49405259 WZXVIRNYHSQRMT-UHFFFAOYSA-N 394.406 4.551 0 40 GJAB FC(F)(F)c1ccc2nnc(CNCc3ccc(-c4ccccc4)cc3)n2c1 53150020 HSCCFCREYWQHDY-UHFFFAOYSA-N 382.389 4.705 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2)cc1Cl 59488468 MSTPAZZKHPXHRA-LLVKDONJSA-N 397.689 4.947 0 40 GJAB Cc1ccc(-c2ncc(C(=O)N(C)Cc3nc4ccccc4[nH]3)s2)c(C)c1 61375767 XYEXDXUPVDSFBN-UHFFFAOYSA-N 376.485 4.575 0 40 GJAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)N(C)c3ccccc3)n2)c1 64579613 CKABNQHAPLEWLM-UHFFFAOYSA-N 399.450 4.754 0 40 GJAB CO[C@@H](C)c1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 67284993 PIVWEVDGFMBJGA-ORAYPTAESA-N 392.858 4.792 0 40 GJAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C=O)cn1)C1CCCCC1 72215714 BFEMIKQGTWLTFM-IBGZPJMESA-N 387.524 4.839 0 40 GJAB C[C@@H](O)C[C@H]1CCCN1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 95434747 SKXWAIPGZXHBBY-SJLPKXTDSA-N 389.580 4.682 0 40 GJAB CCCc1nc(C)sc1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1 95477573 CAMJMBBDVPYCSS-UHFFFAOYSA-N 387.480 4.704 0 40 GJAB COc1ccc(CN2CCCCC[C@@H]2c2ccncc2)c(Br)c1O 97376995 XTGPINODCFYZCD-MRXNPFEDSA-N 391.309 4.676 0 40 GJAB COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@@H]2c1cccc(OC)c1OC 103030248 VQIZEMZOHPZSDU-GKIWIXTESA-N 384.472 4.867 0 40 GJAB CSc1cccc(NC(=O)[C@H](C)N2CCC(c3nc4ccccc4o3)CC2)c1 105609456 DIQDPEGWMNLOHF-HNNXBMFYSA-N 395.528 4.756 0 40 GJAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(C)c1cc(Cl)cc(Cl)c1 157673474 FAHHBFDCQKRPGH-UHFFFAOYSA-N 394.224 4.575 0 40 GJAB Cc1ccccc1[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 224046732 BWDHPLJRBLSKIL-DEOSSOPVSA-N 385.507 4.949 0 40 GJAB COc1ccc(OCc2cc(C(=O)Nc3cccc(OC)c3)ccc2OC)cc1 224266772 HCHGQAXVAQZUNN-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 225097327 SSABWYAOHNVKHY-HSZRJFAPSA-N 394.559 4.515 0 40 GJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1 225172317 JYWITNKUWHNJJI-GOSISDBHSA-N 386.495 4.957 0 40 GJAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN(C)C)cc1 225696338 KGUFDBOLHSNXAF-UHFFFAOYSA-N 392.584 4.823 0 40 GJAB Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(CC3=CCCOC3)C2)n1 257244237 IKLVLFUMNZSNCU-LJQANCHMSA-N 381.495 4.799 0 40 GJAB Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CN(C(=O)C3CCCC3)CCO2)n1 257279885 OINWWZNAGJVOHH-JOCHJYFZSA-N 398.934 4.724 0 40 GJAB Cc1cccc(NC(=O)c2cccc(OC(=S)N3CCC(C)CC3)c2)c1C 408721170 DMJZVILNIGGLOP-UHFFFAOYSA-N 382.529 4.951 0 40 GJAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(C(F)(F)F)cc1 408983185 FYERYODKUCZJQG-ZSOIEALJSA-N 396.162 4.812 0 40 GJAB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S 409089161 HMRRPCVANKJEKT-ZROIWOOFSA-N 381.284 4.721 0 40 GJAB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccccc3)C2=O)c1 409238840 MCJXJXXOVZDMHH-PXLXIMEGSA-N 398.462 4.667 0 40 GJAB Cc1[nH]nc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1C 524500729 MBJGHBFUQMRCCD-UHFFFAOYSA-N 376.435 4.885 0 40 GJAB CCC[C@H](NC(=O)c1ccccc1)c1noc(C2(C)CCC(F)(F)CC2)n1 528148117 QQUKIAYAYVVQIV-HNNXBMFYSA-N 377.435 4.808 0 40 GJAB CC(C)(C)CCc1noc([C@H]2CCCN2C(=O)c2ccccc2OC(F)F)n1 569505726 DUQNFKPWESDMIO-CQSZACIVSA-N 393.434 4.627 0 40 GJAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)CCc2ccc(C(F)(F)F)cc2)c1 1889151904 AWGMPLFMWSTVGP-DFNIBXOVSA-N 391.437 4.538 0 40 GJAB CCOc1ccc(Nc2c3c4c(cccc4n(C)c2=O)C(=O)c2ccccc2-3)cc1 799092 YVCBVDCABQBZCF-UHFFFAOYSA-N 396.446 4.892 0 40 GJAB biogenic Cc1oc2cc(OC(=O)C(C)(C)C)ccc2c(=O)c1-c1nc2ccccc2n1C 870809 CBUOPRSDGGANRI-UHFFFAOYSA-N 390.439 4.607 0 40 GJAB Cc1ccc(-n2nc3c(=O)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1 1016735 YQQAJYZZXKUJPL-UHFFFAOYSA-N 378.435 4.751 0 40 GJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 1085428 JEZJZORWMYHCOA-UHFFFAOYSA-N 382.847 4.689 0 40 GJAB Cc1cc2c(c(SCc3ccc(F)cc3)n1)C(=O)N(c1ccccc1C)C2=O 1405636 DKQIAFDSOUMODZ-UHFFFAOYSA-N 392.455 4.930 0 40 GJAB CN(C)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 2413442 LMWSBDCHSXZYTI-UHFFFAOYSA-N 377.318 4.539 0 40 GJAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1 2925004 DSHUGEXTIZCRCE-UHFFFAOYSA-N 391.905 4.598 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 3287366 UMQQABSHEDTXHB-HZPDHXFCSA-N 385.891 4.739 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 4032225 RZXJIKMQXGMLCG-UHFFFAOYSA-N 377.831 4.901 0 40 GJAB CCN(CC)CCCN(C(=O)c1ccco1)c1nc(-c2ccccc2)cs1 4188874 LWNIDKJWYPJYSW-UHFFFAOYSA-N 383.517 4.782 0 40 GJAB O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2ccccc2Cl)o1 4496867 UIKUGFMLNNHRCP-UHFFFAOYSA-N 377.828 4.650 0 40 GJAB COc1ccc2nc3sc(C(=O)Nc4cc(C)ccc4OC)c(N)c3cc2c1 4848781 HKXFXFBNOQGPCM-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB CCN(CC)CC(=O)NCC[C@@H](Cc1ccccc1)c1ccc(OC(C)C)cc1 5069864 DACUIVBSCXYHKH-QHCPKHFHSA-N 396.575 4.648 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Cc1csc2nc(-c3ccccc3)cn12 5146721 JCTHJGMBTBZRKB-UHFFFAOYSA-N 397.887 4.906 0 40 GJAB CCn1c(SCC(=O)N(C)Cc2c(F)cccc2Cl)nc2ccccc21 5267509 KHVFLYQWMKYODP-UHFFFAOYSA-N 391.899 4.599 0 40 GJAB CCN(CC)CCSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 5302401 PTHCWPDUNXJWDW-UHFFFAOYSA-N 385.577 4.737 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CC[C@@H](C)C2 5475533 UDTXNJOHQBXHHS-CYBMUJFWSA-N 387.501 4.701 0 40 GJAB CN(C)[C@H](CNC(=S)Nc1ccc(SC(F)F)cc1)c1ccccc1 6027018 UKKMRDJTDPHJBM-MRXNPFEDSA-N 381.517 4.591 0 40 GJAB C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(C)Cc1ccc(C(C)(C)C)cc1 6679993 JRBBXNBIGSYQQS-MBSDFSHPSA-N 378.560 4.998 0 40 GJAB O=c1c2c(nc3n1CCCS3)c1ccccc1n2Cc1ccc(F)cc1Cl 6719115 RLVVHWAJDKDIHR-UHFFFAOYSA-N 399.878 4.688 0 40 GJAB O=C(c1cccc(F)c1)N(CCCn1ccnc1)c1nc2ccc(F)cc2s1 7424641 WSBBSVBFHRGRCE-UHFFFAOYSA-N 398.438 4.508 0 40 GJAB C[C@@H]1CC(=O)c2c(OCC(=O)N[C@H](C)c3ccc4ccccc4c3)ccc(F)c21 8327365 MCDUQAXWUQULPV-HUUCEWRRSA-N 391.442 4.925 0 40 GJAB c1ccc(-n2cc(CNCc3ccc4c(c3)OCO4)c(-c3cccs3)n2)cc1 8428747 CUEJHSUGJZRKQL-UHFFFAOYSA-N 389.480 4.619 0 40 GJAB Cc1[nH]c(SCC(=O)N[C@H](C)c2ccccc2Cl)nc1Cc1ccccc1 8709918 XTCIJVNEPWMRTN-CQSZACIVSA-N 399.947 4.932 0 40 GJAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)NCC1CCCCC1 8854208 ADPPDFSJLZBKQL-UHFFFAOYSA-N 378.538 4.814 0 40 GJAB Cc1cc(C(=O)CN2CCC[C@@H]2c2cccn2C)c(C)n1Cc1ccccc1 8879919 VMOJYMVUWRALPF-HSZRJFAPSA-N 375.516 4.512 0 40 GJAB Cc1cccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(C)c3)n2)c1 9625517 LUCSLWJWEXIUEI-UHFFFAOYSA-N 380.473 4.585 0 40 GJAB O[C@H](COCC12CC3CC(CC(C3)C1)C2)CN1CCC(Cc2ccccc2)CC1 10383858 IJXHTHCOYASRRK-AVZNFENQSA-N 397.603 4.535 0 40 GJAB Cc1ccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1C 12416049 VGDBIYHEDHLPRA-UHFFFAOYSA-N 384.435 4.565 0 40 GJAB CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCC3)c2c1 12437853 BHDYKFCPZNVBSP-UHFFFAOYSA-N 394.540 4.929 0 40 GJAB CN(Cc1ccc(Cl)s1)C(=O)COc1ccc(Oc2ccccn2)cc1 12544947 IPOBWOBKSFRRAD-UHFFFAOYSA-N 388.876 4.626 0 40 GJAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3cccs3)C[C@H]21 12661039 GEGZPNAYWBGVQD-IERDGZPVSA-N 384.501 4.586 0 40 GJAB biogenic O=C(/C=C/c1ccc(Br)o1)Nc1ccc(Br)cc1F 12760213 ZEHFUOMJGYPMJP-ZZXKWVIFSA-N 389.018 4.596 0 40 GJAB CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)[C@H](CC)c1ccccc1 13611046 ITXPEQJSUBKUNC-GOSISDBHSA-N 388.471 4.719 0 40 GJAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13708261 NBNXASOPDIQGAJ-GOSISDBHSA-N 379.525 4.965 0 40 GJAB COc1ccc(C(=O)C2CCN(Cc3ccc(O)c4ccccc34)CC2)cc1 14188863 ZMGMBHJCAGRTRE-UHFFFAOYSA-N 375.468 4.649 0 40 GJAB CCCCC(=O)Nc1ccccc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C 14405224 VJSMYFKWGZCXFD-UHFFFAOYSA-N 390.487 4.870 0 40 GJAB Clc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)cc1 17200378 CYSLSGBAGACZPL-UHFFFAOYSA-N 390.878 4.813 0 40 GJAB CCOc1ccc(CCC(=O)N[C@@H](CC)c2ccc(OC)cc2)cc1OCC 20483799 AQVKEVDUDWPZQE-FQEVSTJZSA-N 385.504 4.693 0 40 GJAB CCOc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)CCC3)cc1 20796761 PLHZAORTKOVGEV-UHFFFAOYSA-N 377.444 4.542 0 40 GJAB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)NC2CCCCC2)n1 21524718 HIJUZJAJWCJJIO-UHFFFAOYSA-N 391.471 4.540 0 40 GJAB O=C(CCn1c(=O)oc2ccccc21)OCc1sc2ccccc2c1Cl 21977972 UWDYWASJBVUNGA-UHFFFAOYSA-N 387.844 4.596 0 40 GJAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 22689382 YGCZAHUSODALFN-MRXNPFEDSA-N 378.472 4.622 0 40 GJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(Br)cc1 23500698 MCOHBVGTZKBMKA-NSHDSACASA-N 398.732 4.754 0 40 GJAB CN(C(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1 25033297 HZABQPSKBSSCPN-UHFFFAOYSA-N 399.947 4.792 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 25723419 VGMBHAHAUIUWJV-UHFFFAOYSA-N 399.541 4.971 0 40 GJAB O=C(N[C@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 27016295 CETLDIVUOHMAQE-CQSZACIVSA-N 384.134 4.642 0 40 GJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(C(F)(F)F)cc1 28220334 RGFSQQPIHNLZBN-UHFFFAOYSA-N 379.769 4.856 0 40 GJAB Cc1ccccc1[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 30873601 VAFIPWFSATZLGY-VWLOTQADSA-N 398.506 4.637 0 40 GJAB CCc1nc(OCC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2n1 33287304 XJSZVFAJDRCMIL-UHFFFAOYSA-N 376.243 4.517 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820769 JWZBXKZZDYMDCJ-CXVAWJKUSA-N 390.564 4.686 0 40 GJAB biogenic Cc1ccc2nc(-c3cc4cccc(C)c4[nH]c3=O)c(NCc3ccco3)n2c1 35312111 RLSBWGSOOIHUMI-UHFFFAOYSA-N 384.439 4.665 0 40 GJAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cc(-c2ccco2)on1 36709433 FUNZIFYQJNEFJG-UHFFFAOYSA-N 394.437 4.920 0 40 GJAB COc1cc([C@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc(OC)c1O 40286355 RPTAWQBNNSRMES-CYBMUJFWSA-N 382.441 4.657 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 44900728 KIZMYDALCHGELF-HXUWFJFHSA-N 385.504 4.573 0 40 GJAB COc1cc(CS(=O)(=O)Cc2cccc3ccccc23)ccc1OC(F)F 45297534 FFIWCZJQCCFAHS-UHFFFAOYSA-N 392.423 4.565 0 40 GJAB Cc1cccc(-c2nc(CSc3nc(O)cc(-c4cccnc4)n3)c(C)o2)c1 45924891 XFDYYIOXOKEBOZ-UHFFFAOYSA-N 390.468 4.808 0 40 GJAB O=C(Nc1nnc(C2CC2)s1)C1(c2cccc(C(F)(F)F)c2)CCCC1 48262676 WYVIFHNBOOBJMO-UHFFFAOYSA-N 381.423 4.885 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1 57264285 XUHQFBIMOLWVNM-UHFFFAOYSA-N 388.515 4.745 0 40 GJAB CN(C)c1ncccc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 78336412 IMRZLAUTESUHOV-UHFFFAOYSA-N 375.350 4.679 0 40 GJAB C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)C1CCC(c2ccccc2)CC1 95963127 JGUATIQFKBNMIC-MWWOBUQASA-N 383.557 4.917 0 40 GJAB Cc1noc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(Cl)c2)n1 96005692 HZMPJKUOPAKBJJ-UHFFFAOYSA-N 399.859 4.652 0 40 GJAB Cc1ccc(NC(=O)c2c3c(-c4ccccc4)ncnc3n3ccccc23)cn1 96146672 DDHAAXCUMJIVCC-UHFFFAOYSA-N 379.423 4.505 0 40 GJAB O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1Cl)[C@@H]1C[C@@H]2C[C@H]1c1ccccc1 101464098 BTIQDACSUXCHFU-DYOXLCOFSA-N 386.278 4.923 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2)C[C@H](c2ccc(Cl)cc2)C1 102668636 VFNQOAPGBCNWCB-YWZLYKJASA-N 376.847 4.997 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCC(C)C)cc1 104367860 CHXXDHVIULKEET-VCHYOVAHSA-N 394.496 4.857 0 40 GJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)c1 224518424 SIEYPLRKNXRNEE-ZWKOTPCHSA-N 381.526 4.637 0 40 GJAB Cc1cc(NC(=S)NCCSCc2ccccc2)ccc1Br 225289564 OMWPKQYRLJAOEU-UHFFFAOYSA-N 395.391 4.977 0 40 GJAB O=C1CCCN1c1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1 225307059 JGCUMWKWQRVLKC-UHFFFAOYSA-N 394.327 4.607 0 40 GJAB O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)C(c1ccccc1)c1ccccc1 225571565 SHPQHIGMWUPIGZ-UHFFFAOYSA-N 396.372 4.519 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCCN(CC)CC)cc2)CCCCCC1 225659290 RFTVDSQJNCHUBX-UHFFFAOYSA-N 390.568 4.865 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCCC2)ccc1OC 225761019 NFYSXLSIADLWGE-UHFFFAOYSA-N 399.462 4.852 0 40 GJAB CCSc1ccccc1C(=O)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 253472811 PLXZHDPVRHACOP-CYBMUJFWSA-N 385.514 4.540 0 40 GJAB COCCC(=O)N[C@@H]1C[C@H](c2cccc(-c3ccc(F)cc3)c2)O[C@@H]2CCC[C@@H]12 257329423 XJYLOKPAAHXZER-WBADGQHESA-N 397.490 4.644 0 40 GJAB Cc1ccccc1C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1C 408648298 XAUXVYFZXJHTSJ-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB CN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408675415 IKNVWSRYRJKBLX-UHFFFAOYSA-N 386.426 4.587 0 40 GJAB CCOc1c(I)cc(CNc2ccccc2C)cc1OC 409118224 ZHDMNWJKEDRTJZ-UHFFFAOYSA-N 397.256 4.619 0 40 GJAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OC(F)F 409358516 LLJIKNHEPSSHNM-XNTDXEJSSA-N 377.368 4.538 0 40 GJAB O=C1N(Cc2ccccc2-c2ccc(Cl)cc2Cl)C(=O)C23CC(CN12)C3 656808287 FHSPGLCQVBXHKP-UHFFFAOYSA-N 387.266 4.587 0 40 GJAB Cc1ccc2c(c1)nc(CNC(=O)c1cc(C(C)C)cc(C(C)C)c1O)n2C 1567837692 MWHFRMLLLIEJEV-UHFFFAOYSA-N 379.504 4.764 0 40 GJAB O=c1cc(CN2CCC[C@H]2c2ccccc2C(F)(F)F)c2ccc(O)cc2o1 1659950715 MSHPAORBJQORRV-SFHVURJKSA-N 389.373 4.855 0 40 GJAB Cc1ccc(-c2ncccc2NC(=O)NCCN(C)Cc2ccc(F)cc2)s1 1676498427 AQWOEMDVEZGNQK-UHFFFAOYSA-N 398.507 4.511 0 40 GJAB CCN(c1ccccc1)[C@@H]1SC(=O)N(c2ccc(Br)cc2)C1=O 969783 LBQHRHCFYYRQDX-MRXNPFEDSA-N 391.290 4.502 0 40 GJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1ccc(C=O)cc1 1097720 BSAZAWGISBCCCF-UHFFFAOYSA-N 376.195 4.989 0 40 GJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 1339995 SGZSQVCKFVBSBP-UHFFFAOYSA-N 380.469 4.565 0 40 GJAB COCC(=O)N(Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2nc1Cl 1367658 QIQKOXGSVIZUGU-UHFFFAOYSA-N 386.854 4.511 0 40 GJAB CN(C(=O)c1cc2c(cc1Br)OCO2)c1cccc2ccccc12 1565272 LZDYTXXVUQCLCB-UHFFFAOYSA-N 384.229 4.608 0 40 GJAB Cc1ccc(C)c(CC2(Cc3cc(C)ccc3C)C(=O)OC(C)(C)OC2=O)c1 2638986 ARMBWIOENCEYJA-UHFFFAOYSA-N 380.484 4.528 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)c1 2641423 ZHIXJDIYDHKAQP-NRFANRHFSA-N 394.515 4.580 0 40 GJAB C[C@H](NC(=S)Nc1ccccc1Cl)[C@H](c1cccs1)N1CCCC1 3206335 NTBJIIGZSCRTDA-SUMWQHHRSA-N 379.982 4.914 0 40 GJAB CCCOc1cc(C=O)ccc1OCCOc1ccc(Br)cc1 3299687 CBYXPMJWKFBBAV-UHFFFAOYSA-N 379.250 4.508 0 40 GJAB O=C(OCC(=O)N1CCCc2ccccc21)c1cccc(Oc2ccccc2)c1 3307439 VCZKFAJKWXJBHY-UHFFFAOYSA-N 387.435 4.615 0 40 GJAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)n1cc(C(F)(F)F)ccc1=O 3428810 ONYZDHSAICLAFY-AWEZNQCLSA-N 386.373 4.734 0 40 GJAB CCC(=O)Oc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 3667950 LCLHSRZITJUZBX-UHFFFAOYSA-N 385.423 4.798 0 40 GJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 4735671 VQVMTVSAJOKHDW-JOCHJYFZSA-N 396.450 4.670 0 40 GJAB COC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)oc1CNCc1ccccc1 4751666 UAUVYFUXSDLRQP-UHFFFAOYSA-N 379.500 4.824 0 40 GJAB CC(=O)NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cccc2ccccc12 5188649 AMWWIPFYUFVZHH-LVWGJNHUSA-N 390.826 4.748 0 40 GJAB Cc1c(CCC(=O)NC2CC2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 5347041 IWIMWAQINZJEAI-UHFFFAOYSA-N 381.472 4.665 0 40 GJAB CCCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 5431327 YOCHTQOIDNMATL-UHFFFAOYSA-N 387.435 4.737 0 40 GJAB CCc1ccc(O)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 5610999 PZPNDDJQIWULBF-UHFFFAOYSA-N 390.508 4.600 0 40 GJAB COc1cc(NC(=O)CCCSc2nc3ccccc3s2)cc(OC)c1 5681843 GTOABZRTAKLOOF-UHFFFAOYSA-N 388.514 4.825 0 40 GJAB Cc1c(O)ccc2c(CSc3nnc(C)n3C3CCCCC3)cc(=O)oc12 5865048 AFYUZQCFQHGSHE-UHFFFAOYSA-N 385.489 4.504 0 40 GJAB CCOc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)ccc1OCC(C)C 6587437 OLVYGTKBGFTEBJ-UHFFFAOYSA-N 397.500 4.891 0 40 GJAB O=C1C/C(=C\C2=Cc3ccccc3OC2)C(=O)N1c1ccc(Cl)cc1Cl 6669517 KBGHQTZTHBFXME-RIYZIHGNSA-N 386.234 4.659 0 40 GJAB Cc1ccc(/C=C/C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)o1 6790309 RJIHANUBPXLITE-ARKBFRDHSA-N 379.387 4.664 0 40 GJAB COc1cccc(NC(=O)[C@H](Sc2nc(C)c(C)c(C)n2)c2ccccc2)c1 7252521 XEQIONSJGSFLFT-HXUWFJFHSA-N 393.512 4.883 0 40 GJAB O=C(/C=C/c1cccs1)Nc1nnc(SCc2ccccc2F)s1 7652894 QWIKSQLUBYMNMQ-BQYQJAHWSA-N 377.491 4.683 0 40 GJAB CC(C)n1cnnc1S[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 7780823 PJZDASXWUIMQDP-SECBINFHSA-N 392.834 4.651 0 40 GJAB CCOc1cc(C(=O)Nc2ccccc2Cl)cc(Br)c1OC 8132002 ZSUTUAWEHHVMJS-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 8288683 XZPAIOWNXOFOBB-JTQLQIEISA-N 384.657 4.517 0 40 GJAB O=S(=O)(c1ccc(Cl)s1)N1CCCC[C@H]1c1nc2ccccc2s1 8405882 FTOCGQHRQWVXBD-LBPRGKRZSA-N 398.962 4.927 0 40 GJAB CCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C1CCCCC1 8645548 VETDMCJCPQMGJU-UHFFFAOYSA-N 377.510 4.588 0 40 GJAB O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc(Cl)cc1 8729274 KVCFAGTWGHNYHE-UHFFFAOYSA-N 395.768 4.980 0 40 GJAB O=C1CCCN1c1cccc(Oc2nc(-c3cccnc3)nc3ccccc23)c1 9910402 BXJCBWGBGHLLKW-UHFFFAOYSA-N 382.423 4.611 0 40 GJAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN23)cc1 12193263 KHISSCDJJUDGQH-QPPBQGQZSA-N 386.451 4.946 0 40 GJAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN32)cc1 12193268 KHISSCDJJUDGQH-ZJSXRUAMSA-N 386.451 4.946 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc2n1 12220444 AMXXXNPDMPJUPU-UHFFFAOYSA-N 396.457 4.624 0 40 GJAB CCOc1cc2c(cc1CNC(=O)c1cc(SC)ccc1Cl)O[C@@H](C)C2 12766851 NPUWIEMVWAANPA-LBPRGKRZSA-N 391.920 4.714 0 40 GJAB CCOc1ccccc1N(C(=O)c1cnc(C)cn1)c1nc2ccccc2s1 12798691 RSIJCHWVAUBHKU-UHFFFAOYSA-N 390.468 4.772 0 40 GJAB CN(Cn1nc2ccccn2c1=S)[C@H](c1ccccc1)c1ccc(F)cc1 12819832 VTPBOOAKTTUWDF-HXUWFJFHSA-N 378.476 4.683 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 12995301 DGTVIWHOLXYVEZ-CQSZACIVSA-N 398.484 4.792 0 40 GJAB Nc1nc(COC(=O)/C=C/c2ccc(-c3ccccc3)s2)nc2ccccc12 18342678 ZZTUISFDLXDWBU-ACCUITESSA-N 387.464 4.697 0 40 GJAB CCc1nnc(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)s1 21288109 FIJSDQNQZWAYDH-UHFFFAOYSA-N 389.484 4.514 0 40 GJAB CCOC(=O)C1=C(C)N[C@@H]2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1cccc2ccccc12 21548830 VJGOHOLAAFENKA-PTUXOGIPSA-N 391.511 4.738 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(OCC)c(OCC)c2)cc1 22524164 DXIWNCICVSFNAS-QGZVFWFLSA-N 385.504 4.693 0 40 GJAB Cc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 28292244 PEWGWHZNZWRBGL-KRWDZBQOSA-N 397.906 4.916 0 40 GJAB CCN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c(c1)OCO2 32825241 JOBLHBWJZYTSSJ-UHFFFAOYSA-N 395.286 4.573 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)c1cc2occc2n1Cc1ccccc1 36360042 JDVZHPMRYWGCKX-UHFFFAOYSA-N 383.451 4.736 0 40 GJAB Cc1cc(C(=O)Nc2ccc(F)cc2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616440 IXVKLTHNYYSURW-UHFFFAOYSA-N 378.382 4.568 0 40 GJAB O=C(NCCc1ccccc1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832944 SQGPXVKEJMKTQG-KRWDZBQOSA-N 391.342 4.564 0 40 GJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cccc(F)c1 45863997 XWUYGAAPCGVVTG-MRXNPFEDSA-N 376.431 4.911 0 40 GJAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4cnccn4)cc3)s2)o1 46723923 MCAGLPZPTRHSLB-UHFFFAOYSA-N 392.440 4.855 0 40 GJAB CC(C)(C)[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1cccs1 48278936 OSIMQGJFKCOSIF-IBGZPJMESA-N 385.533 4.779 0 40 GJAB COc1ccc(C)cc1C1(CNc2ncnc3sc(C)c(C)c23)CCOCC1 58402317 KZXHOKPGHFIRDM-UHFFFAOYSA-N 397.544 4.785 0 40 GJAB O=C(c1cc(=O)c2ccccc2o1)N1CCc2sccc2[C@H]1c1cccs1 70696394 BZWNGLCMZUHHPS-FQEVSTJZSA-N 393.489 4.704 0 40 GJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCCC2)cc1OC 71284445 BKGYDVOMYHKOPY-SFHVURJKSA-N 387.505 4.997 0 40 GJAB Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 72349007 VWPZUZFHTYLNDF-QHCPKHFHSA-N 384.523 4.930 0 40 GJAB O=C1NC(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)S1 83297354 ZPVXSVZBBDLRTL-VGOFMYFVSA-N 394.235 4.537 0 40 GJAB C[C@@H](c1ccccc1)[C@](C)(O)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 95963495 MKRHXCJVRQQFHY-QKKBWIMNSA-N 385.847 4.593 0 40 GJAB COc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OC(C)C 100765783 AXKHCVZFKKORAV-OALUTQOASA-N 399.506 4.636 0 40 GJAB CCN(CC)c1ccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 101014908 AJUSGQAGTUCVKV-GOSISDBHSA-N 387.321 4.598 0 40 GJAB c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)cc1 102142626 PHMJPMIGDXMVJO-YKSBVNFPSA-N 384.435 4.700 0 40 GJAB CC1(C)CC(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)CC(C)(C)N1 102722202 BRGKYHMLYXWVDQ-UHFFFAOYSA-N 396.560 4.681 0 40 GJAB Cc1ccc(S(=O)(=O)/C(=C\N2CCCCC2)c2ccc(Cl)cc2)cc1 103735189 NVLYLLVEPHSIDC-HKWRFOASSA-N 375.921 4.907 0 40 GJAB COc1ccc([C@@H]2CCCCN(C(=O)c3cc(-c4cccs4)nn3C)C2)cc1 206883891 ANZZTUPXZZJAIQ-QGZVFWFLSA-N 395.528 4.567 0 40 GJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(OC)c(OC)c1 219032163 SRHDLROAWUWQOE-IIBYNOLFSA-N 393.483 4.892 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)CC(C)(C)O2 219292491 ULSYYQGFSDLVFW-SCLBCKFNSA-N 389.879 4.535 0 40 GJAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccccc3SC(C)C)n2)c1 219659415 SAMNACVPVWWEMF-UHFFFAOYSA-N 381.501 4.818 0 40 GJAB Cc1cccc(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 222752430 VLEKGZOGDBPJAW-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB CC[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(C)cc1 223133150 WXJQSUWHETXVAO-IBGZPJMESA-N 375.534 4.865 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225659283 LSGNARPKXRAYDB-MRXNPFEDSA-N 382.504 4.908 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225831683 HSZNOYOSMBGGOQ-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1ccc(Br)cc1 226329044 KERVZWVYSVQJMC-UHFFFAOYSA-N 399.668 4.867 0 40 GJAB S=C(c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)N1CCOCC1 408572628 HLTABHZCSBYTDG-UHFFFAOYSA-N 382.312 4.580 0 40 GJAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc(C)c1Br 408644866 HWNSVJMJKJSLHT-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB COc1ccc(C(C)C)cc1S(=O)(=O)NC(c1ccccc1)c1ccccc1 408700902 NYKWKCSGJRHKDZ-UHFFFAOYSA-N 395.524 4.887 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)c1 409096919 MLYCPHRFBHRBNE-UHFFFAOYSA-N 380.517 4.540 0 40 GJAB CN(C)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1csc2ccccc12 575621729 SBRWGMXOULDPEV-KRWDZBQOSA-N 392.446 4.953 0 40 GJAB Cc1ccc(F)c2oc(C(=O)Nc3ccccc3[C@H](O)c3ccccn3)cc12 1568596957 LQISHBCLVKJFFJ-FQEVSTJZSA-N 376.387 4.609 0 40 GJAB Fc1ccc(Br)c(OCOc2cc(F)ccc2Br)c1 2362803808 NMCXXVJNAHYKLR-UHFFFAOYSA-N 394.009 4.905 0 40 GJAB O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OC(F)F)c1 592416 OIYBMFARPXRQBW-UHFFFAOYSA-N 399.127 4.844 0 40 GJAB in-vitro Cc1c(Cl)cccc1NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1 652855 FGRDENPXOHIOHA-UHFFFAOYSA-N 386.736 4.819 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4F)c(N)c3cc2C1 661898 TXAOPKKJWXVUPK-SNVBAGLBSA-N 387.455 4.924 0 40 GJAB CCC[C@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(N)=O)C1 672908 GRVJZEYGBUKHKD-NSHDSACASA-N 376.909 4.658 0 40 GJAB CCNC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCCC2 1103655 GHJFMGJOUVYBCD-UHFFFAOYSA-N 378.497 4.782 0 40 GJAB CCOc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 1263138 IUDXWTVDNRPVKR-UHFFFAOYSA-N 378.394 4.957 0 40 GJAB Cc1cc(C)cc(OC(F)(F)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 1393237 UTXCJZYUISZVFZ-UHFFFAOYSA-N 375.293 4.812 0 40 GJAB O=C(COc1cccc(Br)c1)Nc1ccc(SC(F)F)cc1 1473156 STDLFIUNHNPDDU-UHFFFAOYSA-N 388.233 4.781 0 40 GJAB Fc1ccccc1[C@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@H]2c1ccccc1 2253369 NKCJQCUJJLVPOV-GOTSBHOMSA-N 396.425 4.630 0 40 GJAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCCO)ncnc32)cc1Cl 2714219 BWGNRRKYTWQRPR-UHFFFAOYSA-N 392.890 4.844 0 40 GJAB Cc1cccn2c(=O)c3cc(C(=O)Nc4cccc5ccccc45)sc3nc12 2722975 XASSKHAGRUTOTO-UHFFFAOYSA-N 385.448 4.623 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)C(c1ccccc1)c1ccccc1 3353117 MJVQXSAJYOHJMA-JOCHJYFZSA-N 388.511 4.755 0 40 GJAB C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]21CCC(=O)O1 4026722 QZDICFWNRZAVJB-QFCRKXLFSA-N 386.532 4.768 0 40 GJAB biogenic COc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(C)cc32)cc1OC 4129875 XNKZKDIBDGMNNO-UHFFFAOYSA-N 389.430 4.585 0 40 GJAB CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4)=NN3C(C)=O)cc2c1 4980881 SUSPHSHRXGKSFJ-OAQYLSRUSA-N 393.874 4.985 0 40 GJAB Cc1cc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(Cl)s3)nc2c1 5121643 RJFIMCMXEXPXSV-UHFFFAOYSA-N 393.965 4.836 0 40 GJAB C[C@]1(c2ccc(F)cc2)C=C(c2ccc(F)cc2)n2nc(C(F)(F)F)nc2N1 6266507 ADDYUEIKROAPGU-GOSISDBHSA-N 392.331 4.805 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1cccc2c1OC(C)(C)C2 6552474 CTAYRNIIWCCXGV-AWEZNQCLSA-N 396.512 4.608 0 40 GJAB CCOC(=O)[C@@H](Sc1nnc(-c2cccc(C)c2)n1CC)c1ccccc1 6946707 KNYHJTHDFZQLOE-SFHVURJKSA-N 381.501 4.670 0 40 GJAB CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 7419707 UNXFJPDBQCNERL-CYBMUJFWSA-N 381.303 4.851 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1cccc(OCc2ccccc2Cl)c1 7601328 VXNCMSUCEXFLQP-UHFFFAOYSA-N 388.924 4.869 0 40 GJAB Cc1cc(SCC(=O)Nc2ccnn2C(C)C)c(C)cc1Br 7735777 JQRZAHNAEVOHFV-UHFFFAOYSA-N 382.327 4.574 0 40 GJAB O=C(Nc1ccnn1Cc1cccs1)c1cccnc1Sc1ccccc1 7987636 AAPPRPYLXVCBGQ-UHFFFAOYSA-N 392.509 4.791 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N(C)C2CCCCC2)c2c(C)c(C)sc2n1 11135591 UGLCKPKWGRPFGI-ZDUSSCGKSA-N 377.579 4.888 0 40 GJAB CCOC(=O)c1cnc(SC)nc1Nc1ccc(Nc2ccccc2)cc1 11907834 NWXCGXFHVOSTEP-UHFFFAOYSA-N 380.473 4.862 0 40 GJAB O=C(CSc1ccc2c(c1)CCC2)N1CCC[C@H]1c1nc2ccccc2[nH]1 12628905 AQIVFJMIDWRAQB-FQEVSTJZSA-N 377.513 4.507 0 40 GJAB CN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1Cl 12810344 COMUHSXEPBAAIR-OAHLLOKOSA-N 388.792 4.531 0 40 GJAB O=C(COc1ccccc1F)N1N=C(c2cccs2)C[C@@H]1c1cccs1 12911704 IPGKOSSWODFRAZ-OAHLLOKOSA-N 386.473 4.705 0 40 GJAB CS(=O)(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 13005538 ZSLCSUOITMISJV-FQEVSTJZSA-N 397.521 4.562 0 40 GJAB Cc1cc(C)c(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1C 13955239 SJQOPAAVEWIFDM-UHFFFAOYSA-N 394.496 4.943 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 14012189 AXQLZVKFBIGBGM-QGZVFWFLSA-N 388.467 4.829 0 40 GJAB C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1cccc(C(F)(F)F)c1 14635271 PZBBIETZCUMENU-GFCCVEGCSA-N 391.418 4.644 0 40 GJAB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1 15013580 NCSHZXNGQYSKLR-XDHOZWIPSA-N 375.453 4.730 0 40 GJAB CCOc1ccc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 18074029 GDYSUEXZUHSBQJ-UHFFFAOYSA-N 397.478 4.968 0 40 GJAB O=C(c1cc2ccccc2o1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19376269 IHMWPMCTMBUNLX-MZKRTTBSSA-N 392.474 4.712 0 40 GJAB O=C(c1ccccc1)N1CCO[C@@H](c2ccc(Cc3cccc(Cl)c3)cn2)C1 19692999 XFTURNHAVGVORY-JOCHJYFZSA-N 392.886 4.540 0 40 GJAB O=C(c1cn(Cc2nc(-c3cccs3)no2)c2ccccc12)C(F)(F)F 20069531 AIUFLQRNIINOTH-UHFFFAOYSA-N 377.347 4.546 0 40 GJAB O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(OCc2cccnc2)cc1 23130318 CJJYOQAPVIFLJX-UHFFFAOYSA-N 378.394 4.512 0 40 GJAB C[C@@H]1c2ccsc2CCN1Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 23908965 QNQUKUJZDGHTGO-CYBMUJFWSA-N 393.537 4.832 0 40 GJAB C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1Cl 24364486 JVFQLHFJANPFHZ-CQSZACIVSA-N 386.879 4.671 0 40 GJAB Cc1sc2nc(CN(C)Cc3ccc(Cl)c(Cl)c3)nc(N)c2c1C 25053971 RTTYEOBHMNTZBZ-UHFFFAOYSA-N 381.332 4.829 0 40 GJAB C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Br)cn1 27974917 UBNCUZMEANUDIL-MRVPVSSYSA-N 390.064 4.557 0 40 GJAB COc1cc(CN[C@@H](C)c2cccc(Br)c2)cc(Cl)c1OC 28925712 CMWPSGPXMILWOF-NSHDSACASA-N 384.701 4.971 0 40 GJAB COC(=O)c1ccc(CN(C)C(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 30515479 RLIAGIWPOKZCNI-UHFFFAOYSA-N 385.891 4.597 0 40 GJAB FC(F)(F)c1cnc(Sc2nnc(-c3ccncc3)n2C2CC2)c(Cl)c1 32855716 YSHLTJQGVVWQME-UHFFFAOYSA-N 397.813 4.893 0 40 GJAB O=C(CCCNC(=O)NC1CCCCC1)Nc1ccccc1Oc1ccccc1 32894310 ZAKUNGKWZIJZCA-UHFFFAOYSA-N 395.503 4.830 0 40 GJAB COc1ccccc1-n1cnn(CN[C@@H](c2ccccc2)C(C)(C)C)c1=S 32911747 CDHISZJSDWAUTH-IBGZPJMESA-N 382.533 4.746 0 40 GJAB Oc1ccc(-c2nc3ncccn3c2Nc2ccc(Br)cc2)cc1 35616132 MSDGFUQRFHAAFZ-UHFFFAOYSA-N 381.233 4.608 0 40 GJAB CCOc1ccccc1CNC(=O)c1ccc(CN2CCc3ccccc32)cc1 38754322 XSEDZUUAUWAFIL-UHFFFAOYSA-N 386.495 4.578 0 40 GJAB C(=C1\CCCc2c1nc(N1CCOCC1)nc2-c1ccccc1)\c1ccccc1 40385506 IRKYVQRXPLEQNA-DYTRJAOYSA-N 383.495 4.857 0 40 GJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(CCCOC(C)C)C3 57165895 QJZAVMNOAGWHBY-UHFFFAOYSA-N 393.483 4.735 0 40 GJAB biogenic Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)c(C)c3)n2)cc1 57486795 WQVOAZCQVCVWEM-UHFFFAOYSA-N 386.455 4.769 0 40 GJAB FC(F)(Cl)[C@@](F)(Br)C(F)(F)[C@](F)(Cl)Br 63148548 CNQPZAGOLNLMLO-NPKIIWCNSA-N 392.746 4.771 0 40 GJAB in-vitro O=C(c1cccnc1)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357807 IOIIMHAXOGGXLX-OAQYLSRUSA-N 377.875 4.698 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72358083 QEVLXCUQTFACJP-IBGZPJMESA-N 381.476 4.554 0 40 GJAB CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)C4CCCC4)C3)n[nH]2)cc1 72371380 JZKIPDPQPLYKDZ-FQEVSTJZSA-N 395.547 4.661 0 40 GJAB CC(C)c1c(C(=O)N[C@@H](C)CCc2cccn2C)cnn1-c1cccc(Cl)c1 78877600 SUILDRJNYCTMDQ-INIZCTEOSA-N 398.938 4.739 0 40 GJAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 100743874 KSEDCIXCCGFPKC-CALCHBBNSA-N 398.551 4.784 0 40 GJAB Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(C(F)(F)F)nn32)cc1 102930089 OCQPWGHGRUDGHX-HNNXBMFYSA-N 376.382 4.913 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccc(OC)cc1 223025905 YFNSQVVTWTWWKO-HXUWFJFHSA-N 375.896 4.563 0 40 GJAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1C 224101431 WFTPXYUESBULJU-UHFFFAOYSA-N 375.468 4.855 0 40 GJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)c1 224225737 DMLBDQWFFMLCHW-SFTDATJTSA-N 376.529 4.950 0 40 GJAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(Oc2ccccc2)nn1 225188948 AOYLLHJXCCWJLK-MRXNPFEDSA-N 378.501 4.577 0 40 GJAB Fc1cccc(N[C@@H]2CCN(Cc3ncccc3F)C[C@@H]2Cc2ccccc2)c1 257288194 PTHFIVKXZBPSRR-WMZHIEFXSA-N 393.481 4.905 0 40 GJAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1 408628916 YALOHSXNGZCXMB-UHFFFAOYSA-N 395.297 4.838 0 40 GJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)CCc3ccccc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409105385 NCRHBDJJDPWNGO-GUXCAODWSA-N 396.453 4.531 0 40 GJAB O=C1C[C@@H](c2ccsc2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1 524730417 IPEFTJPAJTWTPK-AWEZNQCLSA-N 390.416 4.668 0 40 GJAB biogenic CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1cccc(C)c1 976329 ZJBWAECAKUXJBN-INIZCTEOSA-N 380.517 4.701 0 40 GJAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(Cl)cc1 1377905 WKXQXTNZXKIBOU-SFTDATJTSA-N 382.935 4.964 0 40 GJAB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cc(Cl)nc(Cl)c1 2387818 STLKPXBHYVLROI-UHFFFAOYSA-N 394.205 4.534 0 40 GJAB COc1cc2c(cc1OC)CN(C(=O)/C=C/c1ccc(Cl)cc1Cl)CC2 2436811 DCWVSIYZZZJSBZ-GQCTYLIASA-N 392.282 4.609 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1 2446536 AXPMGDKSVJQKAS-UHFFFAOYSA-N 393.450 4.814 0 40 GJAB CC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 4816845 MYUFUSQOGBNFNF-MSOLQXFVSA-N 387.270 4.672 0 40 GJAB COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c1 5136275 TYLWQGISPKJXON-UHFFFAOYSA-N 392.480 4.602 0 40 GJAB COc1ccc(C(C)=O)cc1COC(=O)C1c2ccccc2Oc2ccccc21 5506777 SIQCHGZROGDZAP-UHFFFAOYSA-N 388.419 4.879 0 40 GJAB CCc1ccc(Cl)c(CC)c1NC(=O)COc1ccc(C(C)=O)cc1OC 5610656 JECHFGHEZRTCAQ-UHFFFAOYSA-N 389.879 4.694 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cc2ccccc2oc1=O 6757475 HRUHBMKQMFRVKM-UHFFFAOYSA-N 382.847 4.689 0 40 GJAB COc1cccc(CN(C)C(=O)c2ccccc2OCc2ccc(F)cc2)c1 6784965 FQNIAGWUOLUXAL-UHFFFAOYSA-N 379.431 4.686 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N(C)c3ccccc3)s2)c1C 6790444 PVZDSCDMAILMNN-UHFFFAOYSA-N 384.530 4.654 0 40 GJAB CCn1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C)c2ccccc21 7459202 QKMGTPMZRJDEBK-UHFFFAOYSA-N 394.475 4.571 0 40 GJAB C[C@@H](NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12)c1ccco1 8157094 JKIZRYKTTMMHPW-CYBMUJFWSA-N 395.509 4.921 0 40 GJAB Cc1cc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)ccc1Cl 8673505 MXERUWKQXPJBOI-OAHLLOKOSA-N 398.890 4.963 0 40 GJAB O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)NCc1ccco1 8854343 YKQMVWWDVLCBQF-UHFFFAOYSA-N 378.906 4.541 0 40 GJAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(Br)o1 9313948 SJDGGZWQIIPOOA-UHFFFAOYSA-N 392.278 4.504 0 40 GJAB O=C(NCc1ccccc1)c1ccccc1OCc1coc(-c2cccs2)n1 9608284 WVRFCICLKLULQI-UHFFFAOYSA-N 390.464 4.912 0 40 GJAB O=C(Nc1cc2c(s1)CCC2)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 11690617 WWELNAXIAXSHNO-IBGZPJMESA-N 389.476 4.943 0 40 GJAB Cc1cc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2c2c(C)cccc12 11907705 IDJDUHNNQMQUET-UHFFFAOYSA-N 396.903 4.884 0 40 GJAB Cc1cc(OCC(=O)N(Cc2sccc2C)C[C@H]2CCCO2)ccc1Cl 12062939 KWOKLIKYYCSMHG-QGZVFWFLSA-N 393.936 4.605 0 40 GJAB CCOC(=O)c1ccc2c(c1)nc(COc1cccc3c1OC(C)(C)C3)n2CC 12659228 RLFJQGKYZNOQHO-UHFFFAOYSA-N 394.471 4.525 0 40 GJAB C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc2c(c1)OCO2 12922462 SPKXZNUXGHARAD-GFCCVEGCSA-N 379.437 4.527 0 40 GJAB COc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2Cl)N2CCCCC2)cc1 13095743 RVWLQZYHMQTCHG-YDYPUGOESA-N 398.934 4.705 0 40 GJAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 13595638 JBENHPQKCVMDNN-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Cc1ccccc1OCC(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 13623999 GGPDGQQUOHVYEA-UHFFFAOYSA-N 388.423 4.835 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 13708620 VEBDSQJDPOVURI-ZDUSSCGKSA-N 383.831 4.686 0 40 GJAB c1ccc(Cn2c(SCc3nc(-c4ccsc4)no3)nnc2C2CC2)cc1 14110518 ITZHKJKHFCGXPX-UHFFFAOYSA-N 395.513 4.608 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccccc2)cc1 14609678 FHGZFTHDCDMSSK-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB Cc1cc(C)c2nc(NC(=O)Cc3csc(-c4ccccn4)n3)sc2c1 14634298 CXFCSADTIFDJNM-UHFFFAOYSA-N 380.498 4.613 0 40 GJAB O=C1C[C@H](c2ccccc2F)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081478 MIANXMXDWBYZAL-CYBMUJFWSA-N 385.391 4.866 0 40 GJAB O=C(CSc1nccn1Cc1ccccc1Cl)Nc1cccc(Cl)c1 15825556 DSSGXACSZIOHHO-UHFFFAOYSA-N 392.311 4.969 0 40 GJAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)NCc2ccco2)cc1 15880525 VSELYYJWMOKAKF-UHFFFAOYSA-N 377.396 4.640 0 40 GJAB biogenic COc1cc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc(Br)c1O 20272607 LOSMIMWNQPCHQW-UHFFFAOYSA-N 375.218 4.554 0 40 GJAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2 21971767 ULCYHYJZKHVEAI-UHFFFAOYSA-N 386.967 4.637 0 40 GJAB Cc1cc(Cl)cc2sc(N(C[C@H]3CCCO3)C(=O)C3CCCC3)nc12 22890520 SVRLGUUYZATGJT-OAHLLOKOSA-N 378.925 4.960 0 40 GJAB COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1 27024743 FCUSMZJKUXGHFG-UHFFFAOYSA-N 377.831 4.916 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn(Cc2ccccc2)n1 28247131 SFDMYTHSULWIDC-ZDUSSCGKSA-N 390.270 4.644 0 40 GJAB CC(C)(C)c1ccc([C@H](CNC(=O)COc2ccccc2)N2CCCCC2)cc1 28293424 LUCCXSXOFBQMNW-QHCPKHFHSA-N 394.559 4.706 0 40 GJAB CCOc1cccc(CNC(=O)CSCc2c(Cl)cccc2Cl)c1 30864449 YMKMTHNNGHDEIQ-UHFFFAOYSA-N 384.328 4.942 0 40 GJAB COc1ccccc1-n1c(SCc2ccc(F)cc2)nc2ccccc2c1=O 35522834 DSCJMLAQYFNYLP-UHFFFAOYSA-N 392.455 4.826 0 40 GJAB O=C(c1c[nH]c2ccccc12)N1CCc2[nH]c3c(Br)cccc3c2C1 36369822 IVXYXDJQUBRLNS-UHFFFAOYSA-N 394.272 4.610 0 40 GJAB biogenic COc1cc(CO)cc(Br)c1OCc1c(Cl)cccc1Cl 36815311 DUALZJGFXPGCEU-UHFFFAOYSA-N 392.076 4.836 0 40 GJAB Cc1nccn1Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1 38848563 XSIFWSHMSCFJNL-UHFFFAOYSA-N 399.947 4.556 0 40 GJAB CC(C)Cn1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c2ccccc21 39556740 UEMZXHSBDDFCIN-BKUYFWCQSA-N 389.524 4.902 0 40 GJAB CC[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccs1 40156981 LZYQHSPVBPOOFA-LJQANCHMSA-N 399.537 4.603 0 40 GJAB C[C@H](NC[C@@H](O)COCC(c1ccccc1)c1ccccc1)c1ccccc1 40373202 YXBCIFNYBRWTHM-GBXCKJPGSA-N 375.512 4.547 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1OCC 44843718 HAJMRUBSYLRBPB-DNVCBOLYSA-N 389.467 4.658 0 40 GJAB COc1cc(NC(=O)Nc2cccc(Br)c2)c(OC)cc1Cl 51354376 ALPMEMBQHCXLCK-UHFFFAOYSA-N 385.645 4.764 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1cccc2c1CCCC2 51364437 UKDFYJYCFBLERA-FQEVSTJZSA-N 384.479 4.724 0 40 GJAB CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)c(C)c1 58009545 TYVSCWSMOMXXTG-IRXDYDNUSA-N 384.545 4.784 0 40 GJAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2F)cn1 59421547 SYQYOMBUYDKKCX-LJQANCHMSA-N 399.263 4.811 0 40 GJAB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(Cl)cc2)cc1 59488989 MXAUESDHIANLTE-SFHVURJKSA-N 396.796 4.512 0 40 GJAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2ccc(Br)cc2F)C1 72404598 QJJIZCNCZSTVOM-ZDUSSCGKSA-N 390.212 4.550 0 40 GJAB CCOc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1C(C)=O 79047319 ILLZUNOBGKKIGB-GOSISDBHSA-N 387.277 4.545 0 40 GJAB O=C(Nc1ccc(F)cc1NC(=O)c1csc2c1CCCC2)c1ccccn1 84609842 MQEGNCJGDZPBKA-UHFFFAOYSA-N 395.459 4.666 0 40 GJAB COc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)c(OC)c1OC 89435048 LOSVCWQXYXPZBI-OWBHPGMISA-N 399.468 4.728 0 40 GJAB O=C(c1cc(-c2ccccc2)on1)N1CCC(CSCc2ccco2)CC1 90608384 UGLPHAYFUKHZKX-UHFFFAOYSA-N 382.485 4.720 0 40 GJAB CCCCN(C)C(=O)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1 96038125 OXWHZGIVSOEUSS-UHFFFAOYSA-N 390.462 4.803 0 40 GJAB CCCCNC(=O)N1CCN([C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 96183732 PEDOCGWUIFLDLM-QHCPKHFHSA-N 379.548 4.520 0 40 GJAB O=C(c1ccc(F)c(F)c1)N1CCC[C@H]1c1nc(-c2ccccc2Cl)no1 98212179 SGJBRODRSISASF-INIZCTEOSA-N 389.789 4.646 0 40 GJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 102328561 NSQZDTBIEAXWNM-KKUMJFAQSA-N 385.895 4.707 0 40 GJAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 106702370 PGBSDNVSPQPCGJ-UNOMPAQXSA-N 383.469 4.639 0 40 GJAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1CCCN1C(=O)C1CCCC1 106736615 YYRDLWWYBDFQNZ-NRFANRHFSA-N 377.488 4.550 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)n1 116171858 PQHGTUCRVZSMKU-UHFFFAOYSA-N 387.527 4.643 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 118925919 WMUMZOAFCDOTRW-TVKURWCESA-N 390.564 4.686 0 40 GJAB O=C(NCc1cccc2ccccc12)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 222889930 PWBCFIGQVZPCNV-OAQYLSRUSA-N 376.475 4.507 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCCCC1 225659318 VIDDCHKTIHWEKC-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3cccc(F)c3)N21 260774912 ODIOEDGEFABIEH-HBGVWJBISA-N 392.503 4.991 0 40 GJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)S2)cc1 408772389 ORTLMDTYZSFPMY-VLOXRPPESA-N 398.528 4.644 0 40 GJAB CCOc1ccc(NCc2ccccc2OCc2ccc(C(=O)O)cc2)cc1 409115560 SDBSZSKDWFHQQS-UHFFFAOYSA-N 377.440 4.975 0 40 GJAB Cc1nc(C2CCN(C(=O)c3cccc(OC(F)(F)F)c3)CC2)sc1C 655185856 ZJEZYBOJVLQEJY-UHFFFAOYSA-N 384.423 4.678 0 40 GJAB C[C@@H](C(=O)Nc1ccc(OC2CCCC2)c(F)c1)n1ccc(C(F)(F)F)n1 1126592026 DIEQVZSCAIFWJG-NSHDSACASA-N 385.361 4.562 0 40 GJAB Cc1c([C@@H](C)NC(=O)c2c[nH]c3ncc(Br)cc23)oc2ccccc12 1154216989 JKHOVRQTQLNTND-LLVKDONJSA-N 398.260 4.871 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 728817 GPEMBIDOBMVISP-JTQLQIEISA-N 383.662 4.638 0 40 GJAB CC(C)(C)NC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12 922187 JWGXDWTYXVREGP-UHFFFAOYSA-N 387.455 4.582 0 40 GJAB O=C(Nc1c(Cl)c(C2CC2)nn1-c1ccccc1)C(Cl)(Cl)Cl 1586677 HKCLNCVFPQWOMG-UHFFFAOYSA-N 379.074 4.712 0 40 GJAB COC(=O)c1c(Nc2nc3ccccc3nc2N2CCCCC2)sc(C)c1C 2338426 BNTUAPBWSJPKDF-UHFFFAOYSA-N 396.516 4.829 0 40 GJAB CCCn1c(SCC(=O)c2c(C)cc(C)cc2C)nc2ccccc2c1=O 2640080 BAILEGBPOOVZDI-UHFFFAOYSA-N 380.513 4.707 0 40 GJAB C1=NC2=NC3=C([C@H](c4cccs4)Oc4ccccc43)[C@@H](c3ccccc3)N2N1 2707203 HCIYGSKPFCTAAW-RTWAWAEBSA-N 384.464 4.552 0 40 GJAB Cc1cccc(OCCC(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)c1 3379223 ZIWMLMBUGGQWJW-OAHLLOKOSA-N 388.920 4.942 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 4545824 XVKLGWIZZNAXNJ-NTCAYCPXSA-N 390.870 4.922 0 40 GJAB COc1ccc(OC)c(-n2c(S)nnc2-c2cc(SC)ccc2Cl)c1 4575462 UEWZJOUGUXAJRH-UHFFFAOYSA-N 393.921 4.616 0 40 GJAB Nc1c(Br)cc2oc(-c3ccc(F)cc3)nc2c1Br 4622463 ZUFVFVRXGHDWPV-UHFFFAOYSA-N 386.018 4.741 0 40 GJAB Cc1ccc(NC(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)c(C)c1 4660048 DISYEPKLKQUCSS-SFHVURJKSA-N 388.467 4.962 0 40 GJAB COc1ccc(-c2nn(CN3CCCCC3)c(=S)n2-c2ccccc2)cc1 4718796 CQSDZEVBNOYQNA-UHFFFAOYSA-N 380.517 4.522 0 40 GJAB CCc1nc2sc3c(c2c2nnc(SCc4cccnc4)n12)CC[C@H](C)C3 4848071 NCHRVDCTPGCBCK-LBPRGKRZSA-N 395.557 4.714 0 40 GJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1 4949619 PCJNSRPESZRNQQ-JOCHJYFZSA-N 383.451 4.620 0 40 GJAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 5736366 XMRGTBGVYGIVHE-CYBMUJFWSA-N 387.892 4.550 0 40 GJAB Cc1nn(C)cc1/C=C1/C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 6527193 WEMMMOPGBRUKBZ-BGKZMIQDSA-N 392.543 4.823 0 40 GJAB CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 6595879 KFXLTYXGSXEOOW-UHFFFAOYSA-N 395.524 4.785 0 40 GJAB Cc1ccc(-c2nnc3n2N=C(c2cc(Cl)ccc2Cl)CS3)cc1 6596985 FVGUKRUJEOAIAI-UHFFFAOYSA-N 375.284 4.918 0 40 GJAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 6650969 JFFVFQTTWDWZJS-ZHZULCJRSA-N 395.480 4.785 0 40 GJAB COc1ccc([C@H](CNC(=O)c2oc3ccc(C)cc3c2C)N2CCCC2)cc1 6747315 DCYVCVYXPFXCKT-NRFANRHFSA-N 392.499 4.625 0 40 GJAB Cc1sc(NC(=O)c2cncc(Br)c2)nc1-c1ccc(F)cc1 6994127 FOTQCCCSQCQNGL-UHFFFAOYSA-N 392.253 4.667 0 40 GJAB Cc1ccsc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)[nH]1)C(=O)O 7603330 LIPARUDJXYSOLM-JYRVWZFOSA-N 377.878 4.713 0 40 GJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccc(F)cc1 7789531 XDSNFORWAZQPIQ-UHFFFAOYSA-N 392.459 4.875 0 40 GJAB Cc1ccc(-c2nc(CN(C)CC(=O)Nc3ccccc3Cl)cs2)cc1 7912547 XZELEPFISQIHCJ-UHFFFAOYSA-N 385.920 4.842 0 40 GJAB COc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1O 8163630 RMIUJBSXPMDJAQ-UDWIEESQSA-N 391.448 4.791 0 40 GJAB CC(C)Oc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 9063350 XRYVOEQEZSVKEJ-UHFFFAOYSA-N 386.923 4.978 0 40 GJAB O=C(Nc1ccccc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9071631 INCJQMZIZJGUCZ-UHFFFAOYSA-N 383.451 4.763 0 40 GJAB COc1cccc(CN2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)c1 9667290 UCOKCVXYTKVNQQ-DEOSSOPVSA-N 382.463 4.932 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 10260877 LPHDFVUXGQIEHC-INIZCTEOSA-N 375.259 4.638 0 40 GJAB COc1cccc([C@@H](CNC(=O)Nc2cccc3ccccc23)N2CCCC2)c1 11004906 YZWFVZJFYVUKEA-HSZRJFAPSA-N 389.499 4.807 0 40 GJAB CC[C@@H](C)Nc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 12419492 YZDGRRIEDRXLBD-LLVKDONJSA-N 380.853 4.631 0 40 GJAB CCCCC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12541086 HILMIZNIBDAARP-GOSISDBHSA-N 375.394 4.978 0 40 GJAB CC(C)c1ccc(-c2nnc(NC(=O)c3ccc(CN(C)C)cc3)s2)cc1 12683458 ITFYQNORCZCWKS-UHFFFAOYSA-N 380.517 4.642 0 40 GJAB C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1F 12775877 XMHQHYNBRWDKGW-INIZCTEOSA-N 386.430 4.564 0 40 GJAB Cc1nc(NC(=O)CSc2ccccc2)sc1Cc1ccc2c(c1)OCO2 12938029 WJBZFTZJUGMZIT-UHFFFAOYSA-N 398.509 4.502 0 40 GJAB C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)CCOc1ccc(Cl)cc1 13041616 GNFGWURNDJRGHG-MRXNPFEDSA-N 382.891 4.831 0 40 GJAB O=C(NCc1nc2ccccc2n1Cc1ccccc1F)c1ccc(Cl)cc1 16740578 LFPKUCZEFKZXQS-UHFFFAOYSA-N 393.849 4.807 0 40 GJAB CCOc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19359476 ZRDZCCGNBAXPPX-UHFFFAOYSA-N 386.539 4.993 0 40 GJAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C(C)(C)C)n2)cc1 21996830 XAQUTHWVWDEOOA-UHFFFAOYSA-N 396.516 4.509 0 40 GJAB CCCCOc1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC)cc1 22507329 DPZXQEMUXUOVKQ-UHFFFAOYSA-N 381.476 4.809 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1 23011101 GCVTXGMEFRZJCG-UHFFFAOYSA-N 391.427 4.600 0 40 GJAB CC(C)Cc1ccc(S(=O)(=O)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 23126283 WOAFSTBZEWAXKC-UHFFFAOYSA-N 390.892 4.562 0 40 GJAB CCN(C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C)c1ccc(F)cc1 24749281 BPUCZGQGTPMLME-UHFFFAOYSA-N 388.446 4.750 0 40 GJAB Cc1nc(-c2cc(C)n(CC(=O)N[C@H]3CCSc4ccccc43)c2C)cs1 25248621 MEVVADBNSOVJMH-SFHVURJKSA-N 397.569 4.890 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C2CC2)c1 25805901 WFUKGKWSTZSFIK-UHFFFAOYSA-N 378.472 4.607 0 40 GJAB Cc1cc(C)c(C)c(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c1C 27824916 VMILZSNFUFWEIN-UHFFFAOYSA-N 375.877 4.890 0 40 GJAB CCN(CC)[C@H](CNC(=O)COc1ccccc1)c1ccc(C(C)(C)C)cc1 28290587 NOGPRKNBYSZKDH-JOCHJYFZSA-N 382.548 4.562 0 40 GJAB CCc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1 28768129 PBMPIGNEBFRWDQ-UHFFFAOYSA-N 395.381 4.934 0 40 GJAB Fc1cccc(COc2ccc(Br)cc2C(=S)N2CCCC2)c1 33704320 FQLVTGBIMDAAGK-UHFFFAOYSA-N 394.309 4.939 0 40 GJAB O=C(OC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)c1cccc(Cl)c1 40158878 PODJCQWGVMRAAJ-CQSZACIVSA-N 392.282 4.703 0 40 GJAB CC(=O)c1cccc(NC(=O)CCn2ccc3c(Br)cccc32)c1 40282867 XTPXOFUZWXKVPE-UHFFFAOYSA-N 385.261 4.635 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)ccc1Cl 44947655 QFYSMFFBGBKVNC-GOSISDBHSA-N 389.879 4.930 0 40 GJAB Cc1[nH]c2ccc(F)cc2c1-c1cn2c3c(nnc2n1)[C@H]1CC[C@]3(C)C1(C)C 57742609 PTUDAWPHGFOBQT-PEBXRYMYSA-N 375.451 4.895 0 40 GJAB Cc1ccc(C[C@H]2CCCN(C(=O)c3cc(C4CC4)nc4onc(C)c34)C2)cc1 65162913 NIFMHIKKEQFBAW-GOSISDBHSA-N 389.499 4.812 0 40 GJAB CC1CCN(CCCCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 65491970 RJVPGDOZAWFWDP-UHFFFAOYSA-N 379.957 4.639 0 40 GJAB N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1Br 67350763 OXHBRYSIMIGKIE-UHFFFAOYSA-N 377.625 4.580 0 40 GJAB COc1ccc(-c2nnc(CN3CC=C(c4c[nH]c5ccccc45)CC3)o2)cc1 89455416 RVKDXHPKOYZFHQ-UHFFFAOYSA-N 386.455 4.516 0 40 GJAB COc1cc(C)c(NC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)cc1OC 95959324 VOQVZTQFWLHTOE-UHFFFAOYSA-N 395.415 4.502 0 40 GJAB Cc1cccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2cccs2)c1C 100423797 ZHKXBCYLMOLXPN-ROUUACIJSA-N 385.602 4.847 0 40 GJAB CCN1C(=O)[C@@H](Cc2ccc(OC(C)C)cc2)c2cc(Br)ccc21 101014092 NKKYYUXLRVWFDN-SFHVURJKSA-N 388.305 4.929 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219331380 URFXLWAIWUXROF-LEWJYISDSA-N 397.515 4.888 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 222888490 MDUCMRMTHHOIBT-HXUWFJFHSA-N 382.504 4.573 0 40 GJAB Cc1ccc(OCCNC(=O)c2cc(Br)ccc2Cl)cc1C 225075049 FQHWZHMFKKKZCV-UHFFFAOYSA-N 382.685 4.528 0 40 GJAB CC(C)(C)c1ccc(-c2noc(CNC(=S)Nc3ccc(F)cc3)n2)cc1 225461184 DVONPSZHYVEKDN-UHFFFAOYSA-N 384.480 4.660 0 40 GJAB COc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c2cccnc12 225792176 VVJMFXYDEZPXLN-INIZCTEOSA-N 395.528 4.614 0 40 GJAB CN(C(=O)C(F)(F)F)c1cc(-c2cc3ccccc3oc2=O)ccc1Cl 226358301 ARJLPJHYAYHJIT-UHFFFAOYSA-N 381.737 4.639 0 40 GJAB CCC[C@H]1O[C@H]2c3cccc(OCC)c3OC(C)(C)[C@@H]2C[C@H]1C(=O)OCC 257202849 ANRNEFANQYIABJ-MTNOOBJLSA-N 376.493 4.682 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(Nc2ccc(F)cc2)CC1 507251189 HZEPIUFDJFIDOY-HNNXBMFYSA-N 389.902 4.691 0 40 GJAB O=C(Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1)C1CCOCC1 515240708 ICJBOXMNZMKINX-UHFFFAOYSA-N 378.497 4.766 0 40 GJAB O=C(Cc1coc(-c2cccs2)n1)Nc1cc(Cc2ccccc2)ccc1O 530635269 CRJJNHUMYHLIJB-UHFFFAOYSA-N 390.464 4.881 0 40 GJAB COc1ccc(CCNC(=O)NCCc2ccc(-c3ccsc3)s2)cc1 575414081 QISXIXWIVWCSDL-UHFFFAOYSA-N 386.542 4.570 0 40 GJAB Cc1csc([C@@H]2CCCN(Cc3csc(-c4cccc(C(=O)O)c4)n3)C2)n1 577499906 LAAUTGMPMAJIQI-MRXNPFEDSA-N 399.541 4.653 0 40 GJAB Cc1cccc(C)c1CN(CC(C)C)S(=O)(=O)c1cccc2ccncc12 1655763495 ABUFJFUOZBXCLO-UHFFFAOYSA-N 382.529 4.699 0 40 GJAB Fc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1F 2055771662 PIXYPVBEQXLCSH-FCHUYYIVSA-N 379.491 4.543 0 40 GJAB Fc1cccc(N2CC[C@]3(CN(Cc4ccc(F)c(F)c4)CCC3(F)F)C2)c1 2055803765 SYPABQFMHXSDCZ-FQEVSTJZSA-N 396.403 4.842 0 40 GJAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C)c1-c1ccc(OC)cc1 675760 ORYFFKRLNCKSBK-UHFFFAOYSA-N 381.453 4.771 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)cc2Cl)on1 815118 UMDAUWVMPYRRQG-UHFFFAOYSA-N 377.183 4.629 0 40 GJAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)OC1CCCCC1 952282 BLFQLZXCKJDWGL-UHFFFAOYSA-N 378.424 4.715 0 40 GJAB biogenic O=C(Nc1cc(C(F)(F)F)ccc1OCCOc1ccccc1)C(F)(F)F 1797108 ZTJWVKSUOHWBLZ-UHFFFAOYSA-N 393.283 4.664 0 40 GJAB COc1ccc([C@H](CNC(=S)Nc2cccc(C)c2C)N2CCCCC2)cc1 3429054 LBGFMPRHXDOXHB-QFIPXVFZSA-N 397.588 4.826 0 40 GJAB Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1Cc1cccs1 3493740 DNLKOEUEKMHMGC-UHFFFAOYSA-N 393.464 4.583 0 40 GJAB aggregator CCc1cc2c(=O)c(-c3ccc4c(c3)OCCCCO4)c(C)oc2cc1OC 4026758 HWFYKYBNQFUFAI-UHFFFAOYSA-N 380.440 4.891 0 40 GJAB biogenic COc1cccc([C@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]23)c1OC 4151478 ZDNWPEVWMMJZJR-PGDJQEENSA-N 379.456 4.699 0 40 GJAB CN(C)CCCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 4214932 KGUZRVWUOOZVMN-UHFFFAOYSA-N 389.908 4.655 0 40 GJAB Fc1cc(Br)ccc1CSc1nnc(Cc2ccccc2)o1 4934471 DGDJGTWNHBUFHG-UHFFFAOYSA-N 379.254 4.854 0 40 GJAB COc1ccc(Br)cc1CN(C)C(=O)C12CC3CC(CC(C3)C1)C2 5421580 GNZFQTUSEWPETM-UHFFFAOYSA-N 392.337 4.633 0 40 GJAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2c(c1)OCO2 5937654 QRCKFYKXYKQYLC-QHCPKHFHSA-N 399.402 4.678 0 40 GJAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)cc1 6441572 ZHATYGGQNCDSDZ-QFIPXVFZSA-N 397.430 4.547 0 40 GJAB O=C(Nc1cccc(Cl)c1)c1ccc(OCc2cn3ccccc3n2)cc1 7318761 YSOVNLOWPOOAJC-UHFFFAOYSA-N 377.831 4.819 0 40 GJAB COc1ccc(CC(=O)Nc2nc3c(ccc4ccccc43)s2)cc1OC 7670819 IDCNVARWLOEACB-UHFFFAOYSA-N 378.453 4.648 0 40 GJAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 7928141 CEOFFHSNPVYPEW-GOSISDBHSA-N 386.451 4.779 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc(-n2cccc2)c1 8026239 RMKKYJPIIWTTHJ-UHFFFAOYSA-N 397.482 4.715 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 8041169 MVKYFYXKQGBNGM-GOSISDBHSA-N 388.895 4.664 0 40 GJAB Cc1ccc(-c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)o2)cc1C 8319637 SCAVPWPSXBGXGO-UHFFFAOYSA-N 394.496 4.855 0 40 GJAB CC(C)Cn1c(SCC(=O)c2cccs2)nnc1-c1ccccc1F 8394637 QDQURXGAXDILOP-UHFFFAOYSA-N 375.494 4.777 0 40 GJAB COc1ccc(-c2cc(CSc3nnc(C)n3-c3cccc(C)c3)on2)cc1 8705451 AGUHWMYNODIQLT-UHFFFAOYSA-N 392.484 4.840 0 40 GJAB C=C1c2ccccc2N=C(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)N1C 9740241 GQJFMYKTZFDQAR-OAHLLOKOSA-N 379.485 4.553 0 40 GJAB CC(C)c1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c2ccccc2n1 9893177 CFLOWACYLJPNQM-UHFFFAOYSA-N 398.470 4.599 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2ncc(-c3ccc(F)cc3)o2)c(OC)c1 11439893 TYKWCOVVFUQGMO-LJQANCHMSA-N 382.435 4.835 0 40 GJAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(OC)c1 11462266 IGJKPNWRYBRWDP-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB Nc1nc(SCC(=O)c2ccccc2)nc2scc(-c3ccccc3)c12 12324155 JBMLZZQMNIJOHG-UHFFFAOYSA-N 377.494 4.916 0 40 GJAB COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCc1cccc(F)c1 12371679 SLPSCYDVONNXRZ-MRXNPFEDSA-N 383.444 4.949 0 40 GJAB CC(=O)Nc1cccc(N[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 12554506 YSWZYYVJIFJTLH-OAQYLSRUSA-N 377.419 4.576 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1C[C@@H](C(C)(C)C(C)C)C[C@@H](C)C1=O 12662779 JQRKTVYMLPNBDE-KGZPDETFSA-N 388.504 4.829 0 40 GJAB biogenic Cc1cc(C)cc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 12755828 DVSVMMUSLUPJKC-QGZVFWFLSA-N 380.513 4.698 0 40 GJAB O=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1cccc(Cl)c1Cl 12756758 KMQOYUVLOIJXRO-GFCCVEGCSA-N 392.304 4.648 0 40 GJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(OC(F)F)c(Cl)c3)ccc2o1 12776794 OKUVYHPNNQZRNZ-SECBINFHSA-N 395.793 4.830 0 40 GJAB CCc1nc(C)c2c(C)c(C(=O)N[C@@H](CC)c3ccc(OC)cc3)sc2n1 12865306 FBDQNVCSLXXOSN-INIZCTEOSA-N 383.517 4.760 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccc(F)c(Cl)c2)c1 12943304 KCSBYSQQOXVQGA-ZAOIQFLMSA-N 389.854 4.873 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(=O)c2ccccc2o1 14582996 WBPLUHIWFYZQMT-UHFFFAOYSA-N 391.345 4.853 0 40 GJAB CCN1C(=O)[C@H](Cc2ccc(OC(C)C)cc2)c2cc(Br)ccc21 15018150 NKKYYUXLRVWFDN-GOSISDBHSA-N 388.305 4.929 0 40 GJAB O=C1C[C@](/C=C/c2ccccc2)(C(=O)NC2CCCC2)N1c1ccc(Cl)cc1 15413593 QIWUOSOCFHHRAL-WOOPDLCSSA-N 394.902 4.588 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1F 18120025 IOMZLEMUCFLUFX-OAHLLOKOSA-N 392.430 4.578 0 40 GJAB Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1C 21540417 UXUAYRVLCSVWQX-UHFFFAOYSA-N 383.517 4.549 0 40 GJAB COc1cc(CN[C@H](C)[C@@H](O)c2ccccc2)ccc1OCCc1ccccc1 22107675 UNECLYAUMKSQFN-KBMIEXCESA-N 391.511 4.528 0 40 GJAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccco3)c2)o1 23017259 OYYVJSCYQSEGSK-SXQONABPSA-N 376.412 4.900 0 40 GJAB COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)C2CC2)c(OC)c1 25292014 GDAOSIMBAUELQO-UHFFFAOYSA-N 394.298 4.744 0 40 GJAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)c1 36365448 BWVFQAGRWQMRNF-INIZCTEOSA-N 383.835 4.667 0 40 GJAB Cc1ccccc1OCCSc1nnc(-c2ccc(Br)cc2)o1 39477264 KPVQPINGVRKDHO-UHFFFAOYSA-N 391.290 4.979 0 40 GJAB C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 39978455 AJTASFOCYKQYNE-LBPRGKRZSA-N 384.328 4.912 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N(Cc2ccccc2F)C2CC2)cc1 40058732 IXSBQLWMCZKEBN-UHFFFAOYSA-N 398.478 4.906 0 40 GJAB Cc1ccc(-c2nc3nc(N4CCCCC4)nc(N4CCCCC4)c3o2)cc1 41154973 ZUAHKTIXPBFTPZ-UHFFFAOYSA-N 377.492 4.574 0 40 GJAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCC2=O)cc1 46641505 SQLRBTVHPOXMFV-UHFFFAOYSA-N 377.271 4.692 0 40 GJAB COc1ccc(Cl)cc1NC(=O)N(Cc1cccs1)Cc1cccn1C 49410311 HJTUFSJVFRPVCL-UHFFFAOYSA-N 389.908 4.983 0 40 GJAB O[C@@H](CSc1nnc2sc3ccccc3n12)c1ccccc1C(F)(F)F 60522685 CFDWEZUMXYBWMY-ZDUSSCGKSA-N 395.431 4.789 0 40 GJAB COc1ccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)c(OC)c1 67339951 DCQFVFJVHMBHFN-FNORWQNLSA-N 387.819 4.764 0 40 GJAB COc1ccccc1CNC(=O)c1sc(Nc2ccc(C)cc2C)nc1C 71326602 KJVISUGEMGOYCJ-UHFFFAOYSA-N 381.501 4.751 0 40 GJAB CC[C@@H](C)Nc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213575 NQDYRELIMKYKSL-YLJYHZDGSA-N 387.549 4.516 0 40 GJAB CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)NC2(C)CCC2)sc2ccccc12 72370798 XITBZDLONOQZNV-KRWDZBQOSA-N 398.572 4.907 0 40 GJAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nc(-c2cccnc2)cs1 72405028 SCENJEMMLKPLGV-UHFFFAOYSA-N 395.875 4.511 0 40 GJAB Cc1nc(SCc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)[nH]c1C 96191879 WOYFCJBGGNSNJY-UHFFFAOYSA-N 396.903 4.671 0 40 GJAB COc1ccc(C(C)(C)C)cc1CN1C[C@@H]2CCC[C@@H](C1)C2(O)c1cccnc1 100148567 JOCSVJSQUWGLAR-VXKWHMMOSA-N 394.559 4.507 0 40 GJAB COc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)ccc1OC(C)C 100765558 AOIWQUCXSYGGNT-SFTDATJTSA-N 399.506 4.636 0 40 GJAB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(C(=O)/C=C/c2cccc(F)c2)c2ccccc21 110570547 AZZXXUGEKOQVPT-SSFSYXPDSA-N 394.490 4.663 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 216357389 OZKWBLSPMCUKQR-QGZVFWFLSA-N 388.895 4.664 0 40 GJAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(C)c2)c(C)c1C 225362683 YTGDMCLQRHTJHF-HSZRJFAPSA-N 395.524 4.688 0 40 GJAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C(=O)OC 225798102 APTRKTKDXUBXQG-UHFFFAOYSA-N 393.524 4.678 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225842296 FALUJMREOUFKFA-NRFANRHFSA-N 379.497 4.574 0 40 GJAB Cc1cccc2cc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c(=O)oc12 226034917 RQLPAGITFYZXLK-UHFFFAOYSA-N 385.419 4.933 0 40 GJAB COC(=O)c1ccc(C)c2c1[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 248340237 UMNWMOJSCNBEMB-AOUOCCBISA-N 391.467 4.776 0 40 GJAB O=C(c1ccc(Cl)c(Cl)c1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390830336 KGJGXQDRQZDKJV-KBPBESRZSA-N 377.271 4.603 0 40 GJAB CCCCc1ccc2nc(NC(=O)/C=C/c3cnc(SC)nc3)sc2c1 408532817 PEQDLKRQJMDCEJ-VQHVLOKHSA-N 384.530 4.803 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 408622614 PRXNOSIEYXTTAG-UHFFFAOYSA-N 388.467 4.909 0 40 GJAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)c(Cl)c3)c(=O)oc2c1 408804387 FHBFEEKEFZXARS-UHFFFAOYSA-N 384.863 4.853 0 40 GJAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2c(C)[nH]c3ccccc23)S1 408810810 QAVJNRYCBCWMNK-UHFFFAOYSA-N 398.895 4.901 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)N1CC[C@H]2C[C@H]2C1 666042440 BQSUOEBWBXJWPR-JAXLGGSGSA-N 389.499 4.538 0 40 GJAB CN1CCC(CC(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)CC1 680359900 WUPZJGNZTVIPCE-UHFFFAOYSA-N 375.472 4.698 0 40 GJAB Cc1ccc2nc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3)oc2c1 850291 OEWQSBAJHSFBIS-UHFFFAOYSA-N 386.407 4.827 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1C 1064590 OVJWLVXHXBHJIQ-IBGZPJMESA-N 386.495 4.579 0 40 GJAB CC(=O)c1cccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)c1 1342775 SNNMYBAESYEFEZ-UHFFFAOYSA-N 375.453 4.795 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 1359310 KQALLIKJZVYTHM-UHFFFAOYSA-N 385.826 4.549 0 40 GJAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1 1468213 HAOHTUKXGKKIQQ-UHFFFAOYSA-N 393.237 4.613 0 40 GJAB CCCCOC(=O)c1ccc(Nc2nc(C(=O)OCC)nc3ccccc23)cc1 1913358 CFQWEXIDKQGRLH-UHFFFAOYSA-N 393.443 4.507 0 40 GJAB Cc1cc2nnc(S[C@@H](C)C(=O)Nc3ccccc3Cl)n2c2ccccc12 1924444 TZXZUUTXCZTSTF-ZDUSSCGKSA-N 396.903 4.964 0 40 GJAB Cc1c(C)c2c3c(C(=O)C(F)(F)F)cc(C)n3ccn2c1C(=O)C(F)(F)F 2275294 XBJQAFFQIPXXGU-UHFFFAOYSA-N 390.283 4.607 0 40 GJAB Cc1ccc(C)c(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)c1 2395550 OUVPNNJZBAXSIV-UHFFFAOYSA-N 379.316 4.875 0 40 GJAB COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(Cl)cc1)N1CCCCC1 3384301 AVJSBCBRHBYDNS-OAQYLSRUSA-N 399.918 4.831 0 40 GJAB CCOc1ccc(CN(C)C(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC 3413966 SSNSYIDWQRDUTH-UHFFFAOYSA-N 389.495 4.962 0 40 GJAB NC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCCCC2 4134726 OFUNAOHAPHZTEO-UHFFFAOYSA-N 389.329 4.737 0 40 GJAB COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1OC 4313772 RBFJXLMTCSXHEU-RVDMUPIBSA-N 398.462 4.882 0 40 GJAB CC(C)(C)c1ccc(C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)cc1 4315611 NPCFBYCKQUYFJR-UHFFFAOYSA-N 379.529 4.896 0 40 GJAB COC(=O)c1c(NC(=O)c2ccccc2SC)sc2c1CCCCC2 4517419 AVUNOOKVCDKNSO-UHFFFAOYSA-N 375.515 4.778 0 40 GJAB O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 4689559 RQFXIZUIQDSVPK-OVCLIPMQSA-N 380.252 4.936 0 40 GJAB O=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCC(Cc2ccccc2)CC1 4745024 WMWDKSUEACMBLJ-HSZRJFAPSA-N 394.534 4.519 0 40 GJAB COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccccc1 4880823 OUHIEQXWOCPWCD-UHFFFAOYSA-N 382.891 4.794 0 40 GJAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1cccs1 5500906 RPGASFVGBMBKCI-ZNLUXHQJSA-N 385.529 4.655 0 40 GJAB C[C@H](OC(=O)c1ccccc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 5692197 CZBGYXWGUNBRSL-LBPRGKRZSA-N 386.860 4.648 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1 6022720 VGEWEMJNWPMCTA-UHFFFAOYSA-N 376.408 4.696 0 40 GJAB Cc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 6759375 HKGFYEXNNFEUQS-ZBFHGGJFSA-N 390.365 4.697 0 40 GJAB c1ccc(OCCSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 7790110 XLWQLLCMYNFKGU-UHFFFAOYSA-N 376.485 4.932 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)no1 8131477 FKZJHPIVFIBZSK-GVDBMIGSSA-N 385.533 4.759 0 40 GJAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NC1CCCCCC1 8174454 QBTFMQHFMJFNML-GFCCVEGCSA-N 397.466 4.968 0 40 GJAB CCCn1/c(=N/C(=O)c2oc3ccccc3c2CSC)[nH]c2ccccc21 8719914 KMSLZXCZGRACPC-UHFFFAOYSA-N 379.485 4.730 0 40 GJAB CCOc1ccc(-n2c(SCCC(C)=O)nnc2-c2cccc(C)c2)cc1 8725979 PPJFNSSRDRHFEC-UHFFFAOYSA-N 381.501 4.713 0 40 GJAB CCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1C1CCCC1 12390601 IBTIXTWEYRGNJJ-UHFFFAOYSA-N 388.533 4.710 0 40 GJAB C[C@@H](NC(=O)/C=C/c1ccc(OCc2cccnc2)cc1)c1ccc(F)cc1 12527595 NWUDFEKNFQMYGU-JIOITTSWSA-N 376.431 4.690 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Br)c1nc(-c2cccnc2)no1 12733548 WPUBYUYUCDIZQB-SECBINFHSA-N 380.629 4.688 0 40 GJAB O=C(CNC(=O)c1ccccc1Cl)Nc1ccccc1Oc1ccccc1 12925484 QISGUKSNRDLNEK-UHFFFAOYSA-N 380.831 4.501 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 12942945 IUIOOJTVKIIWAW-NSHDSACASA-N 383.300 4.546 0 40 GJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@H]32)C1 13408414 WEMQGMZMEXLVDS-ZXYIWLIBSA-N 378.553 4.950 0 40 GJAB O=C(Cc1ccccc1)Oc1cc(-c2ccccc2)nn1-c1nc2ccccc2[nH]1 13611094 VHDBSTWEAROXBN-UHFFFAOYSA-N 394.434 4.564 0 40 GJAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccnc2)cc1C 13618811 NQTBGBKIRUTIIL-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 14164726 WQKBFSHVQNRVSQ-MRXNPFEDSA-N 388.858 4.666 0 40 GJAB Cc1cc(OC(F)F)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 14236841 XWVXOKXCPHQLKP-UHFFFAOYSA-N 382.215 4.704 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 20041573 RWJHIOUVHFEYRW-QFIPXVFZSA-N 394.515 4.726 0 40 GJAB CC(C)c1cc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)on1 21326089 YBDDKSPIEFCNCT-UHFFFAOYSA-N 398.846 4.700 0 40 GJAB COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 22075093 GXZGYXXBIMFBTQ-NRFANRHFSA-N 397.902 4.751 0 40 GJAB COc1ccc(C)cc1-c1csc(NC(=O)CCc2ccc(N(C)C)cc2)n1 24707448 IODLVHOHLHJYHI-UHFFFAOYSA-N 395.528 4.764 0 40 GJAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1Oc1ccccc1 25986549 REQBOIXDEJZBSM-UHFFFAOYSA-N 375.424 4.821 0 40 GJAB O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)NCc1cccs1 31423706 XUXWUPUSBSJFNY-UHFFFAOYSA-N 378.906 4.606 0 40 GJAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCc2ccccc2C1 32518238 KBSLSBSWPCECNJ-UHFFFAOYSA-N 397.931 4.511 0 40 GJAB CC(=O)Nc1ccc(OC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)cc1 32905425 ONYMDIRVPWCWAG-UHFFFAOYSA-N 387.435 4.712 0 40 GJAB CSc1ccc(-c2noc(CSc3nccn3-c3ccccc3)n2)cc1 33278088 JCYYAIFPFQTJOG-UHFFFAOYSA-N 380.498 4.937 0 40 GJAB COc1cccc2[nH]c(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cc12 36370115 HYWOXMAJRBQVLM-UHFFFAOYSA-N 379.847 4.510 0 40 GJAB biogenic CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccccc1C 44900815 NATLNBLUUASDED-SFHVURJKSA-N 377.937 4.855 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccnc3cc(-c4ccccc4)nn23)C1 57729159 IPGIOJSRWBNXGC-KRWDZBQOSA-N 378.476 4.511 0 40 GJAB Cc1ccc(C(=O)c2ccccc2C(=O)N[C@H](C)c2sc(C)nc2C)cc1 58416789 AGEWFUBBXZSCBS-OAHLLOKOSA-N 378.497 4.790 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc23)s1 96052982 ROQXHNLUJLWXAF-GOSISDBHSA-N 394.584 4.746 0 40 GJAB COc1ccc(C(=O)COc2ccc3occ(-c4ccco4)c3c2)cc1OC 96116472 XJQUDAHYSRWSHO-UHFFFAOYSA-N 378.380 4.972 0 40 GJAB biogenic O=C(NCc1ccc([C@H](O)c2ccsc2)s1)c1ccc(F)cc1Cl 207965293 WSGIWDNAHPWGFM-MRXNPFEDSA-N 381.881 4.614 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1OCC 219037577 BCLHNQCAPDBBIT-QGZVFWFLSA-N 393.483 4.721 0 40 GJAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 222440575 ZOCXGEXSWNPXON-QHCPKHFHSA-N 394.559 4.568 0 40 GJAB CC[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCCC2 223076670 ZNJIGEAPHXJTMY-FQEVSTJZSA-N 377.937 4.790 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 223158257 DYNMWUNSUPRMOY-GOSISDBHSA-N 381.501 4.872 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCCSCc2ccccc2F)c1 223288789 XAAGVJNGWNKRRX-UHFFFAOYSA-N 375.509 4.686 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)CSCc1ccc(Cl)cc1 223746649 FYXJWCFRHKOENZ-UHFFFAOYSA-N 377.937 4.892 0 40 GJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1 224968685 KELXBLWUGOMMNB-UHFFFAOYSA-N 391.559 4.836 0 40 GJAB O=C(c1cccc(F)c1)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225262893 QFRJFWWONKAQBX-LICLKQGHSA-N 383.473 4.532 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 225467430 WATGKBBWCGGQNO-INIZCTEOSA-N 375.534 4.649 0 40 GJAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc(C)c1OC(C)C 225575289 MQHBZCPZBZTWCV-UHFFFAOYSA-N 385.479 4.917 0 40 GJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225736913 MKRHAYJURZVDNP-MGPUTAFESA-N 385.932 4.924 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)NC2(c3cccc(C)c3)CCCC2)c1 225856062 TVBYGPWWBXOXEZ-UHFFFAOYSA-N 382.529 4.846 0 40 GJAB Cc1nc(-c2ccccc2)c(C(=O)NCCCn2nc(C)c3ccccc32)s1 257173523 PQBLGVHPSNYQKG-UHFFFAOYSA-N 390.512 4.597 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl 408585652 HVGKTNQVKOWUNM-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 408628707 WHAGYVUVMKTORN-IUYQLWOBSA-N 379.529 4.592 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)cc1 408659967 LBJLNMVEQASDEV-GOSISDBHSA-N 379.500 4.950 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1C 408672615 VPGDVDZZHNVAOQ-OAQYLSRUSA-N 385.463 4.929 0 40 GJAB CCOc1cccc(/C=C2\S[C](Nc3cc(Cl)ccc3OC)NC2=O)c1 408813740 UZHHTSXWOQKDST-UHFFFAOYSA-N 389.884 4.510 0 40 GJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 409026149 HKIMWNNBOCTWSC-QGZVFWFLSA-N 390.508 4.736 0 40 GJAB CN(Cc1csc(-c2ccc(F)cc2)n1)Cc1nccn1Cc1ccccc1 525273235 SEYORZNOLWFNOZ-UHFFFAOYSA-N 392.503 4.826 0 40 GJAB CC(C)Sc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccccc2)C2CC2)cc1 565587325 NYGTVGQXHGVIMM-QGZVFWFLSA-N 396.556 4.556 0 40 GJAB CCC(=O)N[C@H](C(=O)N1CC=C(c2cccc3ccccc23)CC1)c1ccccc1 589474812 YPQNSLVQEVHHGD-VWLOTQADSA-N 398.506 4.723 0 40 GJAB Cc1nccnc1[C@@H](C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 1537442252 ODXDLPBRDULOEP-CQSZACIVSA-N 385.389 4.962 0 40 GJAB CCc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 1093945 MIFLDXRXAUNWQO-MXXWWZHRSA-N 379.459 4.646 0 40 GJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2nc3ccccc3s2)c1 2723029 ZLQMGGCXQRDJNP-UHFFFAOYSA-N 380.498 4.521 0 40 GJAB COc1ccc(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 3290685 AQFYVHZNCCSOCZ-UHFFFAOYSA-N 392.407 4.536 0 40 GJAB C[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2Cl)s1 4174487 PKHWPDKNGODXJX-LLVKDONJSA-N 375.906 4.978 0 40 GJAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)CC(C)C)c1 4353855 RQOBOBPMWJAZPN-UHFFFAOYSA-N 396.443 4.687 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)CCSc3ccc(F)cc3)sc2c1 4496816 SGOAODZOXZGACY-UHFFFAOYSA-N 389.477 4.515 0 40 GJAB COc1cc(SC)ccc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 4979750 TZIPYEXNSAFSEK-SIXWZSSISA-N 394.533 4.578 0 40 GJAB Cc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1F 5126886 GBXKZGDHALTGEF-UHFFFAOYSA-N 378.432 4.640 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)c3ccc4c(c3)OCO4)c2n1 5732448 IXLRTIFTTGPSQG-UHFFFAOYSA-N 390.222 4.840 0 40 GJAB COc1ccc(-c2n[nH]c(SCc3ccc(Br)cc3)n2)cc1 6457822 PDVKCOPBVOGWDW-UHFFFAOYSA-N 376.279 4.535 0 40 GJAB O=C(Oc1ccc(F)cc1)c1nc(SCc2ccc(F)cc2)ncc1Cl 6747999 GQECMVKBMCEAKS-UHFFFAOYSA-N 392.814 4.920 0 40 GJAB O=C(Nc1ccccc1F)c1nc(SCc2ccccc2F)ncc1Cl 6748047 OVWJHTQIBAHZGV-UHFFFAOYSA-N 391.830 4.953 0 40 GJAB CCCN(CCC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CCC 6947923 CUEBPRCYDWCIGW-UHFFFAOYSA-N 394.972 4.749 0 40 GJAB c1ccc(-n2nc(SCc3nc(-c4cccs4)no3)nc2C2CC2)cc1 7216175 KOBFDTLFWVELOC-UHFFFAOYSA-N 381.486 4.549 0 40 GJAB O=C(c1cncn1-c1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7987569 VHSXHIFTZGPESM-MRXNPFEDSA-N 388.496 4.502 0 40 GJAB O=C(NCCCc1nc2ccccc2n1Cc1ccccc1F)c1ccccc1 8310774 GQVIFZMYFISVLZ-UHFFFAOYSA-N 387.458 4.586 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc(OC)c(-c3ccc(OC)cc3)c2)cc1 8727919 NDXDGYNXFYBLPZ-UHFFFAOYSA-N 391.467 4.951 0 40 GJAB Cc1csc2nc(CSc3ncc(-c4ccccc4)n3C3CC3)cc(=O)n12 8748251 YRTGVCGQDLOHGD-UHFFFAOYSA-N 394.525 4.555 0 40 GJAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)s1 9255892 COAUDQJATFMLQC-OAHLLOKOSA-N 384.526 4.993 0 40 GJAB COc1cc(CCC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc(OC)c1 10407271 VQXVPCRBDFTTAF-UHFFFAOYSA-N 386.467 4.720 0 40 GJAB Cc1cc(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)cs1 12087462 YHHJXFUXARVBQR-UHFFFAOYSA-N 396.560 4.934 0 40 GJAB Cc1c(Cl)ccc(OCC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1C 12138054 CCESUHTXXKXSAC-GOSISDBHSA-N 389.879 4.532 0 40 GJAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(NC(=O)CC(C)C)n(C(C)C)c1C 12322306 UIZYYQOEQMPWLH-UHFFFAOYSA-N 394.512 4.642 0 40 GJAB CN(Cc1ccccc1Cl)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 12745356 GXFGPLFGZBECNT-UHFFFAOYSA-N 397.862 4.527 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C)c1cccc2ccccc12 12759858 FDOCYTWQAADDHM-OSPHWJPCSA-N 384.479 4.981 0 40 GJAB C[C@@H](C(=O)Nc1ccccc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 13112877 WFWCYMXIJRHOSZ-LSDHHAIUSA-N 383.492 4.642 0 40 GJAB COc1cc([C@@H]2CC3=Nc4ccccc4N=CC3=C(O)C2)cc(OC)c1OC 18222964 UVZGTBFHLGDZRS-CYBMUJFWSA-N 378.428 4.891 0 40 GJAB O=C(Cc1cccc(F)c1)N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 18704526 AKKKRYQLPVPYCP-NRFANRHFSA-N 385.385 4.875 0 40 GJAB CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20492118 DBWYYRGEHNUUHU-FQEVSTJZSA-N 394.559 4.680 0 40 GJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCC2)nc1 22326944 VZSDAGLFSOILKE-UHFFFAOYSA-N 396.878 4.562 0 40 GJAB CC[C@H](CNC(=O)c1ccccc1SCc1noc(C)n1)c1ccccc1 23007361 OCEKSOUDCQYJRY-MRXNPFEDSA-N 381.501 4.594 0 40 GJAB CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H]2CCCO2)cc1 23078409 HRHCLCMKDJSCCC-OAQYLSRUSA-N 389.499 4.572 0 40 GJAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 28220977 APRXISMYGKPMGE-WOJBJXKFSA-N 379.891 4.944 0 40 GJAB CCOc1ccc(-c2nc(-c3cccc(NC(=O)C4CC4)c3)no2)cc1OCC 28221791 UWNOOVRWRZYWGF-UHFFFAOYSA-N 393.443 4.550 0 40 GJAB COc1ccc(-n2c(SCc3nnsc3Cl)nc3ccccc32)cc1 29827767 AMHNVMOERCVDAU-UHFFFAOYSA-N 388.905 4.831 0 40 GJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(N2CCCC2=O)cc1 31335135 JCWHMVPVAWYFDL-CYBMUJFWSA-N 391.298 4.953 0 40 GJAB O=C(NCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1C(F)(F)F 38583667 MIEQBRRWSAPAMF-UHFFFAOYSA-N 391.437 4.739 0 40 GJAB COc1cc(C)c(NC(=O)N[C@H](C)c2cccc(Br)c2)cc1OC 40103454 VYXHFYALVCFYNL-GFCCVEGCSA-N 393.281 4.657 0 40 GJAB COc1ccc(CN(C)Cc2csc(C3CCCCC3)n2)c(OC)c1OC 40105792 YMIWMYGPAQDJMS-UHFFFAOYSA-N 390.549 4.849 0 40 GJAB CCc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)cc1 40159757 OWBPTSGGWWXMHU-ZDUSSCGKSA-N 399.903 4.504 0 40 GJAB COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4ccccc4F)c3n2)c1 40484741 CPDIJZHMXKRWHT-UHFFFAOYSA-N 399.425 4.512 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 44916542 RXLOANJKRBTAGI-UHFFFAOYSA-N 394.559 4.822 0 40 GJAB Cc1cc2c(c([C@@](O)(c3nc4ccccc4s3)C(F)(F)F)c1)NCCC2 48252162 BBNITETYPOOAJO-GOSISDBHSA-N 378.419 4.761 0 40 GJAB Cc1nn(CN2CCCC[C@H]2Cc2ccccc2)c(=S)n1Cc1ccccc1 58158630 JINBCXCBFAXMHI-QFIPXVFZSA-N 392.572 4.826 0 40 GJAB CCOc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)cc1 64471749 MFYABPAHLBIRSJ-UHFFFAOYSA-N 393.512 4.566 0 40 GJAB CCNC(=O)c1ccc(C)c(NC(=O)c2csc(-c3ccccc3Cl)n2)c1 66312437 MKVHTNAMSDETAH-UHFFFAOYSA-N 399.903 4.774 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1ncnc2c(-c3ccccc3)c[nH]c12 71328119 SEAPDGCQMLQWHA-UHFFFAOYSA-N 388.496 4.973 0 40 GJAB Cc1ccc(NC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1Cl 72277779 GRMOKBINKRXOCW-KRWDZBQOSA-N 392.286 4.571 0 40 GJAB CCn1ccnc1CN1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72350303 NDQRRKKMRMJAMA-IBGZPJMESA-N 394.950 4.922 0 40 GJAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(Cc3cnn(C)c3C)C2)n1 72353979 YSCBOGKBNRQUOQ-NRFANRHFSA-N 392.522 4.541 0 40 GJAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 72358474 BDAZUHQMHLPCSZ-IBGZPJMESA-N 375.447 4.611 0 40 GJAB Oc1cccc([C@@H]2CN(c3ncnc4scc(-c5ccccc5)c34)CCO2)c1 84564668 YFELADCSATVQNZ-IBGZPJMESA-N 389.480 4.642 0 40 GJAB c1cncc(-c2nc(NCC3(c4ccncc4)CC3)c3c4c(sc3n2)CCC4)c1 95450208 WLDZDGVZEBBZTB-UHFFFAOYSA-N 399.523 4.781 0 40 GJAB CC(C)c1ccc([C@@H]2c3c(n[nH]c3-c3ccco3)C(=O)N2c2nccs2)cc1 96336427 UBHQSICOLIPCFR-LJQANCHMSA-N 390.468 4.999 0 40 GJAB COc1cc(OC)cc(-c2nnc(SCc3cccc4ccccc34)[nH]2)c1 107965161 FEYCAXLNSZWNSU-UHFFFAOYSA-N 377.469 4.934 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 219041672 CFFWKUXXIUSRIA-INIZCTEOSA-N 377.440 4.731 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219596808 XKZFBWSUEOXWHH-UXHICEINSA-N 383.488 4.580 0 40 GJAB Cc1ccc(C)c([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 222704089 KFXXCVWVJSMJPC-CEZZIEKDSA-N 388.467 4.545 0 40 GJAB COc1ccc(CN(C)C(=O)CSCc2ccc(Cl)cc2Cl)cc1 222714567 CBFPJQLJICQNBF-UHFFFAOYSA-N 384.328 4.894 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 222930693 RXQXPIDPGBYSEP-RTWAWAEBSA-N 394.519 4.640 0 40 GJAB CCCc1ccc(OCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 224335160 OFYNIROKHBOXFR-HXUWFJFHSA-N 394.559 4.680 0 40 GJAB O=C(C1c2ccccc2Oc2ccccc21)N1CC(COc2ccc(F)cc2)C1 225560915 FGSRVIHMFZSZOB-UHFFFAOYSA-N 389.426 4.601 0 40 GJAB O=C(NCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2F)CC1 225580031 KZQDVVPCSUXQCW-UHFFFAOYSA-N 395.305 4.661 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NC[C@@H](CC)Cc2ccccc2)c1C 225632434 ZKBJOYNJBAAGLL-KRWDZBQOSA-N 384.545 4.727 0 40 GJAB CO[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)s1 225709586 HOUZBJSNHKALQC-NSHDSACASA-N 378.803 4.930 0 40 GJAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)cc1C(=O)OCC 225842267 LLCXAROTAAEGSY-NRFANRHFSA-N 379.497 4.576 0 40 GJAB S=C(Nc1cccc(Br)c1)NC1(c2ccncc2)CCCC1 225845700 HSGFTHBHFVILFC-UHFFFAOYSA-N 376.323 4.600 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCC2CCC2)[C@@H]1c1cccs1 257173749 WCQHAQGXBPETAL-RTWAWAEBSA-N 396.556 4.601 0 40 GJAB CC(=O)NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 408626806 ILVITYPYGBZDJI-UHFFFAOYSA-N 380.256 4.635 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccccc2)n1 408698236 MNTZVKDWLUBINX-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC[C@H](OCC(F)(F)F)C1 560487170 TWFYUFHNUFVAHH-RWMBFGLXSA-N 396.236 4.667 0 40 GJAB COC[C@H]1CCCCN(Cc2cccc(OCc3ccc(F)cc3F)c2)C1 1521024265 MRAHYVZBCYZTFJ-SFHVURJKSA-N 375.459 4.792 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(CCc1ccccc1)Cc1ccccc1 1330009 JYMLKCWPDRCLLW-UHFFFAOYSA-N 383.447 4.678 0 40 GJAB O=C(COc1ccc(-c2nccc(-c3cccs3)n2)cc1)N1CCCCCC1 1383700 YXBGKMUTSVXROI-UHFFFAOYSA-N 393.512 4.654 0 40 GJAB O=C(COc1ccc(Br)cc1)Nc1nc(-c2cccs2)cs1 2755681 HDYCZNDZGUCYAX-UHFFFAOYSA-N 395.303 4.652 0 40 GJAB O=C(Nc1ccc2c(c1)CCC2)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)n1 2788054 CIIGXLXAGVSZCL-UHFFFAOYSA-N 397.478 4.564 0 40 GJAB COc1ccc(CNC(=O)[C@H](C)Nc2ccc(Oc3ccccc3)cc2)cc1 3386384 COMYAEICULWAKM-KRWDZBQOSA-N 376.456 4.604 0 40 GJAB COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)CCc2ccccc2)cc1 4032478 FSHUROSIHHOPCW-UHFFFAOYSA-N 385.467 4.890 0 40 GJAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1 4176028 QQYVOFGYMMJDEA-UHFFFAOYSA-N 379.485 4.579 0 40 GJAB COC(=O)c1c(NC(=O)c2ccc(Cc3ccccc3)cc2)sc2c1CCC2 4200611 GEEJSTAEHYQDCE-UHFFFAOYSA-N 391.492 4.867 0 40 GJAB Cc1ccc2nc(N(CCN(C)C)C(=O)CCSc3ccccc3)sc2c1 4359120 UHAYRLICJHOLNA-UHFFFAOYSA-N 399.585 4.682 0 40 GJAB Cc1cc(C)cc(N(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)c1 5082907 BVMINUAJNSEZPQ-FQEVSTJZSA-N 397.540 4.558 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 5136341 CBDXHKIVIFKSPB-UHFFFAOYSA-N 386.879 4.536 0 40 GJAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1cccc(Cl)c1Cl 5209448 GMNXRVPDYDCQND-JTQLQIEISA-N 393.299 4.898 0 40 GJAB CSc1nnc(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)s1 5872402 BBHDHCHKMKRIPW-UHFFFAOYSA-N 389.571 4.702 0 40 GJAB Cc1cc(C(=O)COC(=O)c2ccc(CO)cc2)c(C)n1CCC1=CCCCC1 6082200 IBZOJCWLYHOVFI-UHFFFAOYSA-N 395.499 4.527 0 40 GJAB O=C1CCC[C@@H]1Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 6831652 QHSOBTHANBNNAQ-KRWDZBQOSA-N 387.867 4.941 0 40 GJAB N=C1NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)S1 7003259 CLPJXTAWONJBBA-OVCLIPMQSA-N 379.268 4.711 0 40 GJAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1nc(-c2ccccn2)cs1 8229679 OYCYQHAGBJSNJU-UHFFFAOYSA-N 396.472 4.649 0 40 GJAB COc1cccc(CSc2nnc(-c3cccc(Br)c3)o2)c1 8429228 ULYGVSFXZLSLQQ-UHFFFAOYSA-N 377.263 4.800 0 40 GJAB CC(C)OC(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 8560845 RUXZAUVYSMFRAY-UHFFFAOYSA-N 396.668 4.920 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 8851036 OAVCPTHUKCLCPP-OAHLLOKOSA-N 392.480 4.948 0 40 GJAB Cc1cccc(OCc2nc(C)c(C(=O)NCc3ccc(Cl)cc3)s2)c1 9251019 SEASITOKUNLURX-UHFFFAOYSA-N 386.904 4.922 0 40 GJAB CC[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1 10423565 ITXHZFVUUWWCRZ-KRWDZBQOSA-N 387.842 4.729 0 40 GJAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)Cc1cccs1 12971408 GGNCCXCEVYUSBH-UHFFFAOYSA-N 376.478 4.503 0 40 GJAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(SC(F)F)cc1 13003966 BEVYDCJYSWWTNX-GOSISDBHSA-N 376.472 4.568 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2C)c(C(F)(F)F)c1 14120094 MPUKXQOMPYRYEP-UHFFFAOYSA-N 376.334 4.971 0 40 GJAB Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@@H](c1cc(F)cc(F)c1)C3 14163848 XHRIAQAHBVXKNV-INIZCTEOSA-N 389.405 4.896 0 40 GJAB COC(=O)c1ccc(COc2cccc3ccc(N4CCC[C@H](C)C4)nc23)cc1 17245702 BZKZJMJLFBNXRD-KRWDZBQOSA-N 390.483 4.837 0 40 GJAB O=C(CC[C@H]1CCCO1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 19292630 SPIDCUFFHGQHFC-GFCCVEGCSA-N 385.316 4.938 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1 20041921 HGKGKIPYMBKMAY-HSZRJFAPSA-N 380.532 4.808 0 40 GJAB Cc1ccc(CSCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20108387 AFGUABRJOMGHHK-UHFFFAOYSA-N 396.600 4.890 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)OC)c1C 20493842 WUEOIPOGKYMJSF-QGZVFWFLSA-N 377.893 4.944 0 40 GJAB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)Nc1nccs1 23136571 JRDLMYMBJINNRG-UHFFFAOYSA-N 384.408 4.543 0 40 GJAB Clc1ccc(CSc2nc(-c3ccccc3Br)n[nH]2)cn1 23965499 OOZDNBVUEKXJMQ-UHFFFAOYSA-N 381.686 4.575 0 40 GJAB CCCCCc1c(C)nc(SCc2cc(C(C)=O)ccc2OCC)[nH]c1=O 26960107 ZAAQMFXELRGGSP-UHFFFAOYSA-N 388.533 4.705 0 40 GJAB O=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1 27694290 QZCLGHXGTLMXPW-UHFFFAOYSA-N 375.859 4.919 0 40 GJAB Cc1c(C(=O)Nc2nonc2-c2ccc(Br)cc2)oc2ccccc12 27989999 DUPGJFDCVVQXLU-UHFFFAOYSA-N 398.216 4.806 0 40 GJAB CCOc1ccccc1C(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl 28305884 LVRSEVNRBITGLP-UHFFFAOYSA-N 390.270 4.889 0 40 GJAB C[C@H](NCc1cc(Br)ccc1F)c1ccc(NC(=O)C2CC2)cc1 28925383 HIPDMIYUDUXCHE-LBPRGKRZSA-N 391.284 4.788 0 40 GJAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC[C@H]1c1ccncc1 32954909 UOXYVIBJWKEYII-FQEVSTJZSA-N 386.499 4.649 0 40 GJAB Cc1ccc(NC(=O)c2sc3ncn(C4CCCCC4)c(=O)c3c2C)cc1 35672160 RRTXNJMKIZTTNW-UHFFFAOYSA-N 381.501 4.832 0 40 GJAB C[C@@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3ccccc3)c2c(=O)[nH]1 40388414 YTBVVSRQAXRYNG-LPQFERQCSA-N 380.451 4.571 0 40 GJAB C[C@H](NC(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 43759729 GWVPTHDAQLEMFV-BLMSOEDDSA-N 385.389 4.782 0 40 GJAB O=C(Nc1ccc(OCc2cccs2)cc1)N(Cc1ccccn1)C1CC1 58169339 WLJWTQZTNAGFMA-UHFFFAOYSA-N 379.485 4.919 0 40 GJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1Br 72211639 UXXMUGDIJPMFRR-MRXNPFEDSA-N 375.266 4.708 0 40 GJAB O=C(Nc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2cccnc2)no1 96102973 OOFPOIFABFCQIA-UHFFFAOYSA-N 389.390 4.506 0 40 GJAB CCN(CC)c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 98064837 WNDUWSRJEFDFKT-OUKQBFOZSA-N 378.925 4.907 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCCC2 102618074 DQLMUSMXKADYPB-DZKIICNBSA-N 375.534 4.957 0 40 GJAB COc1ccc(CN2C(=O)/C(=C\Nc3cccc(C)c3)c3ccccc3C2=O)cc1 105008936 LNWHTFHGQPRMFZ-HAHDFKILSA-N 398.462 4.639 0 40 GJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 107683768 LKDQOEQCYXBBRM-UNOMPAQXSA-N 394.496 4.541 0 40 GJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)c1ccccc1 219056487 IRVFCQOGOFFGCW-OAHLLOKOSA-N 379.843 4.977 0 40 GJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSc1ccc(Cl)cc1 223125595 YYXXCEQZYZDWLB-OAHLLOKOSA-N 389.948 4.895 0 40 GJAB CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223920607 UOHMEZFDUDZJIN-UHFFFAOYSA-N 394.496 4.863 0 40 GJAB CCc1ccc(OCC(=O)NC(C)(C)Cc2ccccc2)c(Br)c1 224446126 JOFNTOPPRZTDRG-UHFFFAOYSA-N 390.321 4.528 0 40 GJAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225472417 LEJHURAUBWERHJ-FQEVSTJZSA-N 394.559 4.685 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225699138 PHJVMOVURMATTA-XXBNENTESA-N 390.568 4.721 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 253617370 WMUMZOAFCDOTRW-FBRNBREWSA-N 390.564 4.686 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C)c2C)n1 408699144 RLWYMEMFILGJGW-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB COc1ccc(C2=NN(c3ccc(C(=O)O)cc3)[C@@H](c3ccc(F)cc3)C2)cc1 409418115 TVPICQYBBXCXPE-JOCHJYFZSA-N 390.414 4.888 0 40 GJAB COCc1ccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)cc1 1615156055 JTJVVAYAORJABK-DEOSSOPVSA-N 396.506 4.636 0 40 GJAB COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)c(Cl)c1 666410 VDCOTGMNPNVIKJ-UHFFFAOYSA-N 393.295 4.840 0 40 GJAB COC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCC2 792680 KTXHVODEIBZDFU-UHFFFAOYSA-N 377.465 4.943 0 40 GJAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(Cl)cc1 1364538 IFFIBPPHKAHTCD-UHFFFAOYSA-N 383.904 4.832 0 40 GJAB CN(C)CCSCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 1726174 VBFAXXWSYVHNDV-UHFFFAOYSA-N 378.950 4.764 0 40 GJAB O=C(/C=C/c1ccccc1)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1 2218210 RXXURPGSOGAPJQ-BJBQARIYSA-N 379.475 4.734 0 40 GJAB COc1cc(OC)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1Cl 3325815 LTKOXCUDCDGIMJ-UHFFFAOYSA-N 384.259 4.807 0 40 GJAB O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)c1ccccc1 3364560 HUJZMMQTCBROJY-UHFFFAOYSA-N 395.509 4.547 0 40 GJAB O=C(CSc1nnc(COc2ccccc2Cl)o1)c1c[nH]c2ccccc12 3364667 BACWDUTWEGROGC-UHFFFAOYSA-N 399.859 4.758 0 40 GJAB FC(F)(F)c1cc(-c2cccs2)nc(SCc2cn3cccnc3n2)n1 4370291 UHWZJQMMZVIKHH-UHFFFAOYSA-N 393.419 4.559 0 40 GJAB Cc1ccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)cc1 4598306 RIWWDUVEMQXDJQ-UHFFFAOYSA-N 375.284 4.918 0 40 GJAB COCCN(Cc1cc2ccc(C)cc2nc1Cl)C(=O)c1ccc(F)cc1 4880383 OUTQKZRPHQXMIW-UHFFFAOYSA-N 386.854 4.625 0 40 GJAB O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1ccc(F)cc1 4890764 IJAKXSWBEROTAN-UHFFFAOYSA-N 381.476 4.669 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 5243923 XGGUUDXAMCDWSD-UHFFFAOYSA-N 395.802 4.710 0 40 GJAB Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCCC1=O 5441346 MKPZALCXVZRCKO-UHFFFAOYSA-N 376.378 4.783 0 40 GJAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1Cl 5448547 GQEYIKHQXKIISC-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3Cl)[nH]c2c1 5457771 IAEZPWNNLPZPOF-UHFFFAOYSA-N 396.299 4.999 0 40 GJAB Cc1sc2ncnc(NCC(=O)OCc3cccc4ccccc34)c2c1C 6082762 GFMLNELZMOUJHU-UHFFFAOYSA-N 377.469 4.617 0 40 GJAB CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccccc3)sc2c1 6593035 DYXNZFSOKHDMOW-UHFFFAOYSA-N 399.541 4.531 0 40 GJAB Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)c3ccccc3)oc12 6768008 QUPLCKYXUCXCOT-UHFFFAOYSA-N 399.402 4.749 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1 6786774 OMCWNUDAAZXBRR-UHFFFAOYSA-N 399.498 4.724 0 40 GJAB Cc1nc(-c2ccc(NC(=O)COCc3nc4ccccc4s3)cc2)cs1 7438328 ZMRIYPLUBVDFLW-UHFFFAOYSA-N 395.509 4.884 0 40 GJAB COc1ccc(CNC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 7777118 HNROOAMYUBHHJE-UHFFFAOYSA-N 387.435 4.950 0 40 GJAB COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 8471676 IQCKLWWMHYBNGR-QGZVFWFLSA-N 396.314 4.850 0 40 GJAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 8591161 IXPPRVBRZPXPAT-SECBINFHSA-N 387.864 4.740 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 9048218 GNZXPUMZOXMWLK-FPOVZHCZSA-N 385.891 4.796 0 40 GJAB CCc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10334277 WPNVJLFKUMMPBQ-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccccc2OC(F)F)c(C(F)(F)F)c1 10641331 TZWKADOVPDTWJT-UHFFFAOYSA-N 388.292 4.518 0 40 GJAB O=C(NCCc1nccn1Cc1ccccc1)c1cccc(Oc2ccccc2)c1 12559554 UUQBZLRAVHDQIV-UHFFFAOYSA-N 397.478 4.696 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1C(=O)c1cccs1 12802205 RILDKXFRCVYZBD-UHFFFAOYSA-N 392.505 4.861 0 40 GJAB Cc1ccccc1[C@H](C)NC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 13007128 UBSCROCAWRCRGZ-JTSKRJEESA-N 382.504 4.914 0 40 GJAB CC(C)Cc1nc2oc3c(NCc4ccncc4)ncnc3c2c2c1CCCC2 13207171 XPLAYLIYLDCNPS-UHFFFAOYSA-N 387.487 4.855 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 15609126 BUUGUSCHWJTXRH-CYBMUJFWSA-N 376.909 4.599 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C3CCSCC3)cc2n1 19452354 SHGSXCQWAMEKKP-MRXNPFEDSA-N 398.498 4.904 0 40 GJAB Cc1noc(-c2cnn(C)c2[C@@H]2CCCCN2C(=O)CC2CCCCC2)c1C 19558692 CQSQCAWGFJVGEQ-IBGZPJMESA-N 384.524 4.716 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCSCc3ccccc3)cc2)C1 20456837 MEAFZWXFMKKBEP-IBGZPJMESA-N 382.573 4.582 0 40 GJAB O=C(NCc1cccs1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 22507670 ROHKJPAXACMTOD-UHFFFAOYSA-N 391.496 4.549 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1Oc1ccccc1 24226367 LHYPXLYQVINNCG-UHFFFAOYSA-N 397.478 4.996 0 40 GJAB Cc1oc(-c2cccs2)nc1COc1ccccc1I 31657561 DBUHIFLNUBBYAE-UHFFFAOYSA-N 397.237 4.895 0 40 GJAB CC(C)(C)c1cc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)on1 32797365 BNDHMKZRIVWTJG-OAQYLSRUSA-N 395.528 4.620 0 40 GJAB CCN(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCCCC1 65553472 FRPCLXYASHLGSJ-UHFFFAOYSA-N 399.457 4.729 0 40 GJAB O=C(c1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357806 IOIIMHAXOGGXLX-NRFANRHFSA-N 377.875 4.698 0 40 GJAB O=C(N[C@@H](C[C@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1)C1CCC1 72373155 WVOHRVSCLILPLB-GGAORHGYSA-N 395.522 4.623 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C)cc1C 79104922 YBPPDUFALZGLMS-UHFFFAOYSA-N 384.476 4.976 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(C)ccn2)C12CCCC2 79484125 HEIYTSXNVQYONC-UWJYYQICSA-N 391.515 4.679 0 40 GJAB Cc1nc(C2(NC(=O)c3cc4ccc(C(C)(C)C)cc4[nH]3)CCCCC2)no1 84280705 SIJQUOIDYHPIMP-UHFFFAOYSA-N 380.492 4.746 0 40 GJAB O=C(Nc1ccc(-n2ccnc2)cc1)c1csc(-c2ccc(Cl)s2)n1 84414563 RUUXRDTZAAVXMM-UHFFFAOYSA-N 386.889 4.963 0 40 GJAB CCOC(=O)c1sc2nc(C)nc(N3CCCC[C@H]3c3ccco3)c2c1C 95397840 RTGMXCVQLIOIMU-AWEZNQCLSA-N 385.489 4.809 0 40 GJAB CCSCc1ccnc(NC(=O)c2ccc(COc3ccccc3OC)o2)c1 95976911 ZHOKVPGLSVHRDJ-UHFFFAOYSA-N 398.484 4.768 0 40 GJAB Cc1nnc(-c2cccc(NC(=O)[C@@H](C)Oc3cc(C(C)C)ccc3C)c2)o1 97002832 UWBMTTVGDBWQQR-OAHLLOKOSA-N 379.460 4.883 0 40 GJAB CCCOc1c(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cccc1OC 100765913 MMLGORPRSIBPGY-SFTDATJTSA-N 399.506 4.638 0 40 GJAB CC(=O)c1ccc(OC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 102234442 BXNMRYARQMCPBO-SNEKZUEESA-N 391.305 4.919 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2)C[C@@H](c2ccc(Cl)cc2)C1 102668629 VFNQOAPGBCNWCB-QRWLVFNGSA-N 376.847 4.997 0 40 GJAB C[C@H](NC(=O)CSCc1ccccc1Br)[C@@H]1C[C@H]2CC[C@H]1C2 108842169 FUQCFIAXZNMTAB-YXWQFLTLSA-N 382.367 4.623 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3C(=O)[C@H](O)[C@@]21C 118922766 VRBYSRPMDFKSTP-ZNNGOECWSA-N 390.564 4.686 0 40 GJAB O[C@H](C[C@H]1c2ccccc2-c2cncn21)C1CCC(OCc2ccccc2)CC1 207679357 BGZYLMZZDLEDEY-ONHKWDPESA-N 388.511 4.980 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 219026547 QRPVUWSRAWAOTK-INIZCTEOSA-N 377.440 4.731 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 219056840 RSYGCQYQIIFTTE-MRXNPFEDSA-N 375.896 4.644 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1Cl 219531787 UKKCGGPLSGADLL-CQSZACIVSA-N 375.852 4.540 0 40 GJAB Cc1cccc(OCC(=O)NCCSCc2c(Cl)cccc2Cl)c1 222752755 YTARGJQZTPVYSJ-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)c(Cl)c1Cl 223717443 LFBRUAHSWWVNHS-UHFFFAOYSA-N 388.316 4.604 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224453213 SWQKKOKWRXESBE-QFIPXVFZSA-N 383.532 4.954 0 40 GJAB COc1cc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c(OC)cc1Cl 224464601 RFKKIXKLRQFTOF-ZDUSSCGKSA-N 389.879 4.642 0 40 GJAB Cc1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1Cl 225808269 VGNSHSZMHWNEFS-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)c2ccccc12 225917323 IFHPPFXJMBLOIE-UHFFFAOYSA-N 395.455 4.910 0 40 GJAB Cc1cc(C)cc(CSCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 409133067 QMENBINMHHMPKQ-UHFFFAOYSA-N 388.964 4.539 0 40 GJAB O=C(Nc1ccccc1)Nc1ccc(-c2noc([C@H]3CC34CCOCC4)n2)cc1 515537864 WUJOJPALWBKYMU-GOSISDBHSA-N 390.443 4.665 0 40 GJAB C[C@@H](CCc1ccc(O)cc1)NC(=O)CCCc1ccc(Br)s1 535642596 MBPZZADCFGOVIR-ZDUSSCGKSA-N 396.350 4.676 0 40 GJAB Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(OCc3ccncc3)cc2)C1 575590531 SVPWCEBRTFJXRW-UGKGYDQZSA-N 386.495 4.987 0 40 GJAB O=C(Nc1ccc2c(cnn2C(F)F)c1)Nc1ccc2nc(C(F)F)[nH]c2c1 678539861 IJNGCTHFUDLVES-UHFFFAOYSA-N 392.316 4.889 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2N1c1ccc(F)cc1 1615153614 CEIVHHBFSOANFD-UZLBHIALSA-N 386.898 4.999 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccc(F)c(F)c2)N1c1cccc(F)c1 1615156784 KZIVAOBCUWVUSI-PMACEKPBSA-N 388.433 4.766 0 40 GJAB O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccc(Cl)cc1 1388003 XWDHOIMUISPGAE-UHFFFAOYSA-N 382.634 4.585 0 40 GJAB O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)Nc1ccccc1 2358986 RKTDCMBZUFGZRW-UHFFFAOYSA-N 393.516 4.576 0 40 GJAB COc1ccc(Nc2nnc(S[C@@H](C)C(=O)c3ccc(C)cc3)s2)cc1 2656635 MKZQHMTVOOMRNL-ZDUSSCGKSA-N 385.514 4.962 0 40 GJAB O=C(CCc1nc2ccccc2s1)OCC(=O)c1cccc(C(F)(F)F)c1 3247854 RSNKSIYBLJBRGI-UHFFFAOYSA-N 393.386 4.674 0 40 GJAB CCCCc1ccc(NC(=O)COC(=O)c2ccc(SC)cc2OC)cc1 3300175 YHMGJAQKAUSHKT-UHFFFAOYSA-N 387.501 4.555 0 40 GJAB Cc1cccc(C)c1N(C(=O)c1ccc2c(c1)OCCO2)C1=NC(C)(C)CS1 3349308 HGWVYFZDDVTWFJ-UHFFFAOYSA-N 396.512 4.603 0 40 GJAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)NC1CCCCCC1 3463511 NHKNMECXTGRLPW-UHFFFAOYSA-N 383.872 4.690 0 40 GJAB COC(=O)c1sc2ccccc2c1NC(=O)c1cccc(Br)c1 4176807 SBWDBGDZYYNVHA-UHFFFAOYSA-N 390.258 4.703 0 40 GJAB CCOc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 4433429 NSIJIBGZPMSFEE-UHFFFAOYSA-N 385.851 4.750 0 40 GJAB Cc1cccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2cccc(Cl)c2)CC3=O)c1 4777091 ZYGRDFFAAKMDLS-MRXNPFEDSA-N 391.858 4.603 0 40 GJAB CC(C)Cc1nc(NC2CCCCCC2)c2nnn(Cc3ccccc3)c2n1 4985509 MRZGDTCVCLYVHG-UHFFFAOYSA-N 378.524 4.603 0 40 GJAB COc1ccc(C)cc1NC(=O)CSc1nc(C)nc2c1oc1ccccc12 5164132 MEMRRVQXRNKWRA-UHFFFAOYSA-N 393.468 4.732 0 40 GJAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccc(N2CCCCC2)cc1 5644231 VQYUQXKSJWNUNF-UHFFFAOYSA-N 398.528 4.569 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 6042699 JQJVSWKXGIBKHE-AWEZNQCLSA-N 375.852 4.703 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)CCC2 6236159 DKPXLSNNPVSDBI-QHCPKHFHSA-N 384.479 4.675 0 40 GJAB COc1ccc(C(=O)COC(=O)c2cc(C)nc3c(C)c(Cl)ccc23)cc1 6255445 FTEJALPHXVCUEW-UHFFFAOYSA-N 383.831 4.553 0 40 GJAB Cc1cccc(-c2noc(CNC(=O)Cc3ccc(-c4ccccc4)cc3)n2)c1 6669387 BMEASNKPHYDPLA-UHFFFAOYSA-N 383.451 4.571 0 40 GJAB O=C(/C=C/c1nc2ccccc2s1)OCc1nnc(-c2ccc(Cl)cc2)o1 7432572 APLFIXTWFYUZLF-MDZDMXLPSA-N 397.843 4.756 0 40 GJAB O=C(Nc1c(C(=O)c2ccc3c(c2)OCCO3)oc2ccccc12)c1ccccc1 7616157 GVBAYNHJJSIQGB-UHFFFAOYSA-N 399.402 4.687 0 40 GJAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3Cl)o2)c1C 7964993 NRPVLKHBEJOJCH-UHFFFAOYSA-N 396.874 4.928 0 40 GJAB CCc1ccc([C@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(Br)cc2)cc1 8024925 KBXQXOPIWXGKCU-IBGZPJMESA-N 396.288 4.793 0 40 GJAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc2c(c1)OC1(CCCCC1)O2 8039736 KJQAQKIOOUAZNX-KRWDZBQOSA-N 398.528 4.955 0 40 GJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C[C@H]1OC(=O)c2ccccc21 8342318 REMARJOYAVZWFW-HXUWFJFHSA-N 395.842 4.860 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1 8345612 BNWYZUJHGNGABV-LJQANCHMSA-N 382.485 4.909 0 40 GJAB Cc1cccc2cc(-c3nc4c(C)cccn4c3NCc3ccco3)c(=O)[nH]c12 8580580 JWFXCQXVIOEJSF-UHFFFAOYSA-N 384.439 4.665 0 40 GJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1cccc2ccccc12 9036630 JSOIJRYAZNMVNW-UHFFFAOYSA-N 396.446 4.884 0 40 GJAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N3CCC(C)CC3)s2)c1C 9509522 GVMLDBAPAROTOO-HNNXBMFYSA-N 390.578 4.638 0 40 GJAB Fc1ccccc1-c1nnc(SCc2cscn2)n1Cc1ccccc1 9753642 FPNQVJHEJPKFME-UHFFFAOYSA-N 382.489 4.881 0 40 GJAB O=C(Cc1ccc(F)cc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 10020338 UXAHRIIRKVUJCP-UHFFFAOYSA-N 395.434 4.745 0 40 GJAB Cc1c(NC(=O)c2ccc(C3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C 12760229 CXMVSPLDWICQGR-UHFFFAOYSA-N 389.499 4.784 0 40 GJAB C[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 12798931 IVTCWUDGVUPTGK-AWEZNQCLSA-N 386.904 4.795 0 40 GJAB O=C(C[C@H](C(=O)O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1Cl 12809036 MELSIQYSNFVIPJ-LBPRGKRZSA-N 389.732 4.695 0 40 GJAB O=C(CCc1ccco1)Nc1ncc(Cc2ccc(Br)cc2)s1 12858494 PQTLZIAQBUVLRN-UHFFFAOYSA-N 391.290 4.661 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(F)cc1F 12980730 FMYXSWAIVHROCK-UHFFFAOYSA-N 382.414 4.592 0 40 GJAB COc1ccc([C@H](CNc2ncnc3sc4c(c23)CCCCC4)N(C)C)cc1 13040754 VYIATPQRIIARQV-SFHVURJKSA-N 396.560 4.684 0 40 GJAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccncc4)cc3c2C)cc1 13549511 LEQRXAGVYXKQOD-UHFFFAOYSA-N 386.407 4.628 0 40 GJAB biogenic N[C@H](Sc1nc(=O)n(C2CCCC2)c2c1CCC2)c1cccc2ccccc12 15840385 QAZTZKNSRSYDQY-OAQYLSRUSA-N 391.540 4.750 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 16018704 RFURFAXBSSHHBA-UPFYTXMWSA-N 375.468 4.892 0 40 GJAB Cc1ccc(CNC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 16706938 DKSYDNFDUVOSQR-UHFFFAOYSA-N 386.904 4.543 0 40 GJAB O=C(NCc1cccnc1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 17168819 ONGLOVQIVJCYBM-UHFFFAOYSA-N 388.858 4.518 0 40 GJAB Clc1ccccc1CNCc1cn(Cc2ccccc2)nc1-c1cccnc1 17310503 SVQCUNQDZGQRMW-UHFFFAOYSA-N 388.902 4.937 0 40 GJAB CN(C)CCCn1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O 20799203 RPGXMLBWERFJID-UHFFFAOYSA-N 383.495 4.682 0 40 GJAB CCOc1cc(CNCCN(CC)CC)ccc1OCc1ccccc1Cl 22075382 NIOIVHWXDJNLIV-UHFFFAOYSA-N 390.955 4.749 0 40 GJAB CCOc1cc(CN[C@@H](C)[C@H](O)c2ccccc2)ccc1OCc1cccs1 22076361 MTZMEPSUWXUKKI-SBUREZEXSA-N 397.540 4.938 0 40 GJAB O=C(CSc1ccccc1Cl)N1N=C(c2ccco2)C[C@H]1c1ccco1 23221235 SRTIOEQSYWYFHE-HNNXBMFYSA-N 386.860 4.996 0 40 GJAB Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3c2C(=O)[C@@H](C)[C@@H]3C)cc1 26896982 XCZUZXPVGMDCHU-HOTGVXAUSA-N 379.481 4.636 0 40 GJAB CCCCOc1c(C)cc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1C 27823121 VWJOIUIMWLJFRH-UHFFFAOYSA-N 382.913 4.640 0 40 GJAB O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)NCc1ccc(F)cc1 31423637 LEKIVXCGDATFJM-UHFFFAOYSA-N 390.867 4.684 0 40 GJAB COc1ccc(CN(C(C)=O)[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 32073751 BRYXUDWHJVUWBB-DEOSSOPVSA-N 389.451 4.562 0 40 GJAB CCOc1ccccc1OCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 32781469 KBZUOONBVAINPQ-OAQYLSRUSA-N 399.537 4.761 0 40 GJAB CCOc1cc(C(=O)N[C@@H](C)c2ccccc2C)ccc1OCc1cccnc1 32795094 SUKUKJGLCRQOPT-SFHVURJKSA-N 390.483 4.859 0 40 GJAB O=C([C@@H]1CC=CCC1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 40072087 XSDXHIPZISJBQZ-QGZVFWFLSA-N 384.520 4.555 0 40 GJAB Cc1c(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)oc2c1C(=O)CCC2 40132983 QUBPRUKTCMUUDX-OAQYLSRUSA-N 377.415 4.766 0 40 GJAB O=C(Nc1cnc(-c2ccccc2)nc1)C1(c2ccc(Br)cc2)CC1 48289007 HKGYOBOIRQPEGK-UHFFFAOYSA-N 394.272 4.576 0 40 GJAB O=C(c1csc(-c2ccccn2)n1)N(Cc1c(F)cccc1Cl)C1CC1 66017889 ZVBXHPUCZUBNGH-UHFFFAOYSA-N 387.867 4.802 0 40 GJAB COC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)cc1 67339457 NAODLXPXJXVLBP-BQYQJAHWSA-N 385.803 4.533 0 40 GJAB O=C(c1ccco1)N(C[C@H]1CCCO1)c1nc2c(C(F)(F)F)cccc2s1 77099409 QOFAUXYHCDLMKW-LLVKDONJSA-N 396.390 4.734 0 40 GJAB C[C@@H](NC(=O)Cc1cccc2ccccc12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95958247 LDBAQJREMNCCAP-YLJYHZDGSA-N 396.531 4.534 0 40 GJAB O=C(CCC1CCCC1)NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1 100738781 ZZLGNVZCYKQKMD-TYKWCNGQSA-N 392.547 4.899 0 40 GJAB Cc1c(C(=O)N2CCS[C@H](c3ccccc3)CC2)cnn1-c1ccccc1 211139671 KVRPPFPDYKXFDU-NRFANRHFSA-N 377.513 4.501 0 40 GJAB CCOC(=O)c1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 216830759 GDDQTRYPNLQVOR-UHFFFAOYSA-N 397.240 4.743 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 223165197 OVMCHTDINGGJRT-JOCHJYFZSA-N 394.559 4.568 0 40 GJAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 223242555 APEXTNAXSUPPOK-HTAPYJJXSA-N 396.962 4.918 0 40 GJAB O=C(c1cccc2ccccc12)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225730495 TWDMGSLTJZQKAQ-INIZCTEOSA-N 386.373 4.547 0 40 GJAB Cc1ccc(CN(CC(=O)O)C(=O)c2ccccc2Oc2ccc(C)cc2)cc1 257321856 WDOFLSVTJABXGP-UHFFFAOYSA-N 389.451 4.823 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](Cc3nccs3)C2)o1 257334123 YEQPNWUJCGXYAT-OAHLLOKOSA-N 382.485 4.556 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260814724 MYCDEBUDJMHQMK-AUSIDOKSSA-N 390.568 4.864 0 40 GJAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(I)c1O 409110033 PYIRTIHJJBAPOM-UHFFFAOYSA-N 397.256 4.624 0 40 GJAB O=C(CC(F)(F)F)N1CC2(CCOCC2)c2cc(-c3cccc(F)c3)ccc21 585105687 CQMAXRJTOKCVET-UHFFFAOYSA-N 393.380 4.840 0 40 GJAB O=C(CCc1ccc(F)c(Cl)c1)N[C@H](c1cccs1)C1CCOCC1 585149464 UUYQDTCFUCDUPQ-IBGZPJMESA-N 381.900 4.757 0 40 GJAB O=C(Nc1cccc(CSC2CCOCC2)c1)c1cccc(N2CCCC2)c1 597251704 DUCZOZFCQUCBTH-UHFFFAOYSA-N 396.556 4.951 0 40 GJAB O=C1CCCc2cc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)ccc2N1 623618705 YOTWMJREZUMVPM-UHFFFAOYSA-N 378.447 4.573 0 40 GJAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c3ccccc3C)c(=O)[nH]c2c1 790331 ZHSDJEJEXZJIIE-UHFFFAOYSA-N 396.490 4.988 0 40 GJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1C(=O)O 830893 RAQOKQHKGMNVMC-UHFFFAOYSA-N 395.436 4.542 0 40 GJAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc(Br)cc4)ccc1c23 846559 VWOUVKLRRHHLFC-UHFFFAOYSA-N 395.256 4.835 0 40 GJAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 940013 QVQAUTOMDLNHHT-HNNXBMFYSA-N 382.412 4.533 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC(=O)N1Cc1ccccc1Cl 1389865 BFJNCCJWDKWYPI-MRXNPFEDSA-N 397.689 4.777 0 40 GJAB COc1ccc(C(C)=O)cc1CSc1nnc(C2CC2)n1-c1ccccc1 2621420 RKUQLOPGLCPVAV-UHFFFAOYSA-N 379.485 4.648 0 40 GJAB O=C(/C=C/c1ccc(Br)o1)NC(c1ccccc1)c1ccccc1 2650927 ZBJSUXDVZFYNAH-WYMLVPIESA-N 382.257 4.961 0 40 GJAB aggregator CC(=O)c1ccc(NC(=O)c2ccn(COc3cc(C)c(Cl)c(C)c3)n2)cc1 2797985 QBHGSFQUSLGEOL-UHFFFAOYSA-N 397.862 4.645 0 40 GJAB CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 3154625 WPBDBRBIMUFBSU-UHFFFAOYSA-N 387.435 4.987 0 40 GJAB COc1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1OC 3438053 RAPGGZGXSUPGPX-UHFFFAOYSA-N 375.468 4.542 0 40 GJAB C[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 4174493 WALQHWLHUCOJGL-NSHDSACASA-N 375.906 4.978 0 40 GJAB Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1NC(=O)c1ccco1 4603717 MESCOIGUJPVYLS-UHFFFAOYSA-N 392.455 4.981 0 40 GJAB CC[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 5043610 GLCOOPMJKXAGSA-WOSRLPQWSA-N 396.413 4.541 0 40 GJAB S=c1n(CN2CCc3ccccc3C2)nc(-c2ccco2)n1-c1ccccc1 5066524 LTMGGNGXPZCKRY-UHFFFAOYSA-N 388.496 4.679 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 5136153 ASBOJFAALIOYCA-UHFFFAOYSA-N 390.439 4.524 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccccc1F 6215710 ZTTZLBHFIVDWAG-HXUWFJFHSA-N 396.849 4.979 0 40 GJAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)c(OC)c1 6300086 HHQJJPINVCIKAC-PZUNEJSGSA-N 395.543 4.881 0 40 GJAB biogenic Cc1ccc(OCCOC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 6516854 BSPLTRWNUOWJGP-UHFFFAOYSA-N 386.451 4.878 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 6590612 PRAIIQJZSGLPKN-UHFFFAOYSA-N 391.471 4.723 0 40 GJAB COc1cc(C(C)=O)ccc1OCCCCN1CCCC[C@@H]1c1cccnc1 6624436 RJROGNNLCSDZQC-OAQYLSRUSA-N 382.504 4.679 0 40 GJAB biogenic C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)c1c[nH]c2ccccc12 7161959 UDKFMXDFIAGWKZ-NSHDSACASA-N 384.486 4.588 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1OCC 7361071 ISNVKEHLGFWPLF-UHFFFAOYSA-N 377.506 4.717 0 40 GJAB COc1cccc(/N=c2\oc3cc(O)ccc3cc2-c2nc3ccccc3[nH]2)c1 8657355 FLZSJLZGTTZFIM-VHXPQNKSSA-N 383.407 4.923 0 40 GJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3c(F)cccc3F)ccc1O2 9134919 LVHYMLTYZUKJJG-UHFFFAOYSA-N 380.350 4.884 0 40 GJAB CCN(c1ccc(NC(=O)CSc2ncnc3sccc23)cc1)C(C)C 9336359 MSSCDLZCTJFUAG-UHFFFAOYSA-N 386.546 4.657 0 40 GJAB Cc1cccc(CCCNC(=O)CSCc2ccc(Br)cc2)c1 10110647 MWSNISYTQNNUAT-UHFFFAOYSA-N 392.362 4.740 0 40 GJAB CC(C)c1ccccc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1 11835330 YVGBVZRSTXYQML-UHFFFAOYSA-N 383.473 4.683 0 40 GJAB COc1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 12660355 LDTPXCCCYNCQRB-UHFFFAOYSA-N 391.254 4.876 0 40 GJAB CCOc1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc(Br)c1OC 12758920 MQQCDZUDRPIIPE-ZIAGYGMSSA-N 396.325 4.509 0 40 GJAB O=c1[nH]c2ccccc2c2c1Nc1[nH]c(=O)c3ccccc3c1[C@@H]2c1ccccc1 12810204 PCVMXKVITPIUFU-LJQANCHMSA-N 391.430 4.607 0 40 GJAB Cc1ccc(OCc2nc(CC(=O)Nc3nc4c(s3)CCCC4)cs2)cc1 12947026 BAVBNTJHPHNWCK-UHFFFAOYSA-N 399.541 4.547 0 40 GJAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(NC(=O)C2CC2)cc1 13007334 UQYSYLFNDIRCSS-UHFFFAOYSA-N 377.271 4.614 0 40 GJAB Cc1ccc(C(=O)O)c(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 13084519 BLYZGIIOMBZAIW-UHFFFAOYSA-N 377.396 4.503 0 40 GJAB C[C@H](CCc1ccccc1)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 14000528 CCOYZQRQVWLRRO-GOSISDBHSA-N 397.950 4.538 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(C(F)(F)F)c1 14790065 WBWTXQUGBKEHGZ-UHFFFAOYSA-N 378.177 4.707 0 40 GJAB COc1ccc(Br)c(C(=O)Nc2ccccc2OC(F)(F)F)c1 16724651 MSWRJXROHVXNID-UHFFFAOYSA-N 390.155 4.609 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(F)c(F)c1 17178249 RVRPFHMJOZALBW-UHFFFAOYSA-N 392.405 4.810 0 40 GJAB Cc1cccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1 19879734 KOZWREIVSBAOII-UHFFFAOYSA-N 399.538 4.565 0 40 GJAB O=C(NCc1ccc(F)cc1)c1ccc(OCCSc2ccccc2)cc1 20108274 OJZFTWRKWOXLTN-UHFFFAOYSA-N 381.472 4.927 0 40 GJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@@]2(C)CC2(Cl)Cl)c1 22190809 WKXGLIOZEQJPKU-GOSISDBHSA-N 377.271 4.770 0 40 GJAB CCOc1ccccc1CCCNC(=O)CCc1ccc(OCC)c(OCC)c1 22525717 AEILAVBJIRKCBH-UHFFFAOYSA-N 399.531 4.564 0 40 GJAB CCCCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCC1 27794970 RLDFIEPTRBBJHA-LJQANCHMSA-N 386.561 4.884 0 40 GJAB COc1ccccc1-c1nc(-c2cccc(NC(=O)CCc3ccccc3)c2)no1 28221917 YPYJPOCZYNVJMR-UHFFFAOYSA-N 399.450 4.984 0 40 GJAB c1ccc(-c2nc(NCc3cccnc3)c3nc(-c4ccccc4)oc3n2)cc1 28287717 IJWIPOVSNKELAI-UHFFFAOYSA-N 379.423 4.959 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 30850720 FGCKNNNGFULVSJ-GPMSIDNRSA-N 383.001 4.695 0 40 GJAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)ccc1OC(C)C 31820218 KJKXXOMFGYDJBH-KRWDZBQOSA-N 377.444 4.792 0 40 GJAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1F 32103721 HCACARAEEJREIS-MRXNPFEDSA-N 398.825 4.823 0 40 GJAB C[C@@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3ccc(F)cc3)c2c(=O)[nH]1 40388433 LLWTWEIHJYIOBD-RZIFZGNASA-N 398.441 4.710 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 40913207 DKEPGDFPECMPMI-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1ccc(Cl)cc1 44836560 UYWOMSLWFSWAFN-UHFFFAOYSA-N 393.624 4.510 0 40 GJAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(C(=O)OC)cc3)c2c1 46086376 BBTZMHKWLXGMEW-UHFFFAOYSA-N 381.428 4.959 0 40 GJAB CCn1c(SCCOc2ccccc2)nnc1[C@H](C)Nc1ccccc1OC 48513586 LJICHJVBTBGJRP-INIZCTEOSA-N 398.532 4.651 0 40 GJAB Cc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 57477782 SMVIIFZVBNCRNG-UHFFFAOYSA-N 398.432 4.797 0 40 GJAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1Cc1cn2ccsc2n1)OCCO3 58159890 QWMSSZBXCOUCIK-HNNXBMFYSA-N 395.528 4.556 0 40 GJAB O=c1c(Cl)c(Cl)cnn1CNC1(c2ccc(Cl)cc2)CCCCC1 58161850 NFVRSYZFXQHKKE-UHFFFAOYSA-N 386.710 4.610 0 40 GJAB COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1C 62715179 VURUQABJRIOGHZ-RIYZIHGNSA-N 389.451 4.940 0 40 GJAB CC(C)[C@H](C)NC(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96154631 BFKSHMLIKIURCV-AWEZNQCLSA-N 398.532 4.716 0 40 GJAB CSCC[C@H](NC(=O)c1ccc2nc(C)sc2c1)c1nc2ccccc2[nH]1 96223489 REDPMVREHAMLJW-KRWDZBQOSA-N 396.541 4.705 0 40 GJAB FC(F)(Br)C(F)(F)CCOc1ccc(Br)cc1 98210660 WJZLRNIWFMEURU-UHFFFAOYSA-N 379.973 4.841 0 40 GJAB Cc1cccc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)c1 215737792 JIIUDVRNPGVFRQ-XMHGGMMESA-N 391.858 4.704 0 40 GJAB COc1cccc(CCCNC(=O)c2cccc(OCc3ccccc3)c2)c1 218977803 KJSOFSWGTBSEIA-UHFFFAOYSA-N 375.468 4.637 0 40 GJAB C[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 222951489 GXNRYHJCVUUMQP-CYBMUJFWSA-N 381.900 4.539 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 223208007 SYSRMNAEXOMXAF-LIRRHRJNSA-N 391.895 4.700 0 40 GJAB COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccccc1OC 224238351 KWNGRJCORGFENX-UHFFFAOYSA-N 383.488 4.735 0 40 GJAB CCN(CCCNC(=O)c1cc(Br)ccc1Cl)c1ccccc1 225076005 URLXYSVCGBPSQI-UHFFFAOYSA-N 395.728 4.749 0 40 GJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225735066 DNAIXCJZVUSHCL-HSZRJFAPSA-N 390.568 4.721 0 40 GJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225744901 BLCGXQAOZYSLNA-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB Cc1cccc(NC(=O)c2snnc2-c2ccc(Br)cc2)c1C 225782971 RPUDFRYRCAHDKY-UHFFFAOYSA-N 388.290 4.837 0 40 GJAB Cc1cc(C)n(-c2nc3c(Br)ccc(C(F)(F)F)c3s2)n1 226359435 VZUAQJQWQHADEI-UHFFFAOYSA-N 376.201 4.880 0 40 GJAB CCO[C@]1(C(=O)Nc2ccc(O[C@H](C)COC)c(Cl)c2)CCC[C@H](C)C1 260818246 ZYBWDZHVSVXTSK-BXTJHSDWSA-N 383.916 4.678 0 40 GJAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 408998647 BQQKQQHWTJPOPB-GOSISDBHSA-N 380.444 4.782 0 40 GJAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)c1 409333279 JJMXYNVKQMAWFH-AVSIYSEJSA-N 392.480 4.535 0 40 GJAB FC(F)(F)c1cc(-c2noc(-c3ccc(Nc4cccnc4)cc3)n2)ccn1 1615610210 FWUIOBLGTDCEMR-UHFFFAOYSA-N 383.333 4.956 0 40 GJAB Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 869887 RFVYIOLGQXUOPR-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB COc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)Nc2ccccc2F)C3)cc1 1370554 SYUIHYHJOHTQHB-RTBURBONSA-N 397.494 4.542 0 40 GJAB COc1ccc(C(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1 2103467 PQWQSGGFHABTIM-UHFFFAOYSA-N 386.403 4.730 0 40 GJAB biogenic CCOc1ccc([C@@H](NC(=O)Cc2ccccc2)c2ccc(OC)cc2)cc1 2291365 ZMMWEUATRUQKDV-DEOSSOPVSA-N 375.468 4.542 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(Cc1ccccc1)C3=O 2704581 JRLKPTPAJNDQLK-JOCHJYFZSA-N 397.430 4.552 0 40 GJAB Cc1ccc(-n2c(SCc3ccccc3F)nc3c(c2=O)SCC3)cc1 2719787 CTQKEXUDOAGWNJ-UHFFFAOYSA-N 384.501 4.621 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3ccccc3)cc2)cc1 3346775 PEEGWUVYHSBUCL-KRWDZBQOSA-N 388.467 4.907 0 40 GJAB Cc1cc(C)cc(-n2c(SCc3cccc(F)c3)nc3c(c2=O)SCC3)c1 4358847 WLTGZLIOADZQCD-UHFFFAOYSA-N 398.528 4.929 0 40 GJAB COc1c(C)cccc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 4700355 CFNPSISQVCVOJD-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB COc1ccc(C(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 5042553 IACDMCNLXOGPDG-GFCCVEGCSA-N 384.526 4.800 0 40 GJAB FC(F)(F)c1cccc(/C=C/c2nn3c(Cc4ccccc4)nnc3s2)c1 5234695 HSDLKYWRJHWXIP-MDZDMXLPSA-N 386.402 4.966 0 40 GJAB CCN(C(=O)c1ccc(-n2nc(C)cc2C)cc1)C12CC3CC(CC(C3)C1)C2 6049468 XPWLQYUVQDCPNR-UHFFFAOYSA-N 377.532 4.920 0 40 GJAB CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1OCCC 7471836 XWVRUFWCKGKUBC-UHFFFAOYSA-N 385.460 4.612 0 40 GJAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(N2CCCCCC2)cc1 8193117 KSDXXOMJKYKAMC-FQEVSTJZSA-N 383.561 4.904 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)c1 8410313 UKVHZGCLFSXGLQ-UHFFFAOYSA-N 397.544 4.885 0 40 GJAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(Cl)c3)ccc21 8958930 ZMQQDZVPCYDLLI-UHFFFAOYSA-N 386.879 4.754 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccc(Cl)cc1Cl 9154337 ORCRCXJJAPDHJY-MRXNPFEDSA-N 382.291 4.935 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 9827827 ZCTLDJOMAOUJDE-UHFFFAOYSA-N 394.814 4.716 0 40 GJAB Cc1cc(OCC(=O)N2CCC(c3nc4ccccc4o3)CC2)ccc1Cl 11999872 HAHVAKFRPXYRGM-UHFFFAOYSA-N 384.863 4.575 0 40 GJAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2oc3ccccc3c2C)CC1 12292871 PMFSJNARQLHTIU-UHFFFAOYSA-N 380.463 4.508 0 40 GJAB CCCn1c(S[C@@H](C)C(=O)N2CCCC2)nc2ccc(C(F)(F)F)cc21 12520208 IOYPBKGOWWHHGT-LBPRGKRZSA-N 385.455 4.568 0 40 GJAB CC(C)[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2ccccc2[nH]1 12529494 IATKAYFOPLWDGT-LJQANCHMSA-N 381.863 4.506 0 40 GJAB CC(C)(C)c1cc(NC(=O)CN2CC[C@H]3CCCC[C@@H]3C2)n(-c2ccccc2)n1 12694273 YFLXIDPCNZJUOK-RTBURBONSA-N 394.563 4.620 0 40 GJAB C[C@H]1CCCN(Cc2csc(NC(=O)c3csc(-c4ccccc4)n3)n2)C1 12789921 SADKVNBGMWLUOE-AWEZNQCLSA-N 398.557 4.751 0 40 GJAB COC(=O)/C=C/c1ccc(OCc2coc(-c3ccc(C)cc3C)n2)c(OC)c1 12854626 JRZJMDQXGUABGJ-JXMROGBWSA-N 393.439 4.732 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 12919693 KAQWOHQENADCPS-UHFFFAOYSA-N 378.428 4.887 0 40 GJAB COc1ccc([C@H](CNC(=O)/C=C/c2ccc(Cl)cc2)N2CCCCC2)cc1 13072695 NIZRBYVDKMPMCD-MNTLFOFUSA-N 398.934 4.705 0 40 GJAB CC(C)n1ncc2c(C(=O)N[C@@H](C)CCc3ccccc3)cc(C3CC3)nc21 17155873 OKQNKCGAWJXKMB-INIZCTEOSA-N 376.504 4.641 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1Cl 20110926 FKWXZGJHFDSIDJ-LLVKDONJSA-N 382.243 4.576 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(C)cc1 20491734 CTMYCEKLTXFFGE-IBGZPJMESA-N 377.937 4.855 0 40 GJAB Fc1ccc(OCc2nc(CSc3nnc(-c4ccc[nH]4)o3)cs2)cc1 21605420 GVSGFUUSDREMNE-UHFFFAOYSA-N 388.449 4.532 0 40 GJAB Cc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)cn1 22413788 AJYALUUZXYCRDV-UHFFFAOYSA-N 385.261 4.685 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2ccc3c(c2)OCCO3)cc1 27161385 YVBYRMGBZDNIDI-OAQYLSRUSA-N 395.499 4.543 0 40 GJAB CCOc1ccccc1OCC(=O)Nc1nc2c(C)c(Cl)ccc2s1 27698772 QFBJCYQUORQJTD-UHFFFAOYSA-N 376.865 4.674 0 40 GJAB Cc1nn(-c2ccc(NC(=O)c3cccc(F)c3)cc2)c(C)c1Br 27924739 NBYDNTPFRNNNDV-UHFFFAOYSA-N 388.240 4.643 0 40 GJAB Cc1cc(C(=O)N[C@@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c(C)o1 29294159 PBQVZUZAPCCOAU-LBPRGKRZSA-N 391.393 4.900 0 40 GJAB COc1ccccc1NC(=O)c1nn(-c2ccccc2Cl)c2c1CCCC2 30715753 JWYARGWOKFWDGQ-UHFFFAOYSA-N 381.863 4.665 0 40 GJAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1cccc2cc(O)ccc12 33720142 REDMOOIFINTECM-UHFFFAOYSA-N 394.540 4.965 0 40 GJAB CCN(CC)CCOc1ccccc1NC(=O)c1cc2ccc(F)cc2nc1C 40042935 YSIOAKPQCBGMDR-UHFFFAOYSA-N 395.478 4.655 0 40 GJAB Cc1cc(C)cc(OCC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1 40116320 RHBRQSYQBAKGBB-UHFFFAOYSA-N 378.447 4.619 0 40 GJAB CSc1ccc([C@H](C)NC(=O)Cc2csc(-n3c(C)ccc3C)n2)cc1 40133772 ZMCYLDLCJQADCP-HNNXBMFYSA-N 385.558 4.692 0 40 GJAB COc1cccc(NC(=O)COc2ccc(C(C)C)cc2Br)c1 40942539 GPROKGMUXVCHSR-UHFFFAOYSA-N 378.266 4.599 0 40 GJAB C[C@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)c2ccccc2S1 48236048 CAEDWEWJCPEJBN-LBPRGKRZSA-N 382.407 4.554 0 40 GJAB Cn1c([C@H]2CCCCN2C(=O)CCc2cc(F)ccc2F)nc2ccccc21 56132901 SYOPZWZHUUKSON-HXUWFJFHSA-N 383.442 4.538 0 40 GJAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2nc3ccccc3s2)CC1 59489583 NXRASVYOGIZHAB-UHFFFAOYSA-N 392.311 4.566 0 40 GJAB O=C(CCCSc1ccc(Cl)cc1)NCc1nc(-c2cccs2)no1 65778651 PJLUQXOEXXMJLT-UHFFFAOYSA-N 393.921 4.640 0 40 GJAB Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@H](C)c1ccc(F)cc1 71326503 HOPZBNMZRYSQDC-CQSZACIVSA-N 383.492 4.736 0 40 GJAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Br)c(F)c1 95067973 CABCJXUBRPTEBG-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB Cc1cc(C)cc(C2=CCN(C(=O)c3ncccc3OCC(F)(F)F)CC2)c1 95455958 MIWMZXWMSATDGE-UHFFFAOYSA-N 390.405 4.569 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@H](CC)C2 102618091 JZDDWFWBEDLKSG-YXWQFLTLSA-N 375.534 4.814 0 40 GJAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 103718912 PCJDEJLEEZRVKQ-NSHDSACASA-N 397.689 4.947 0 40 GJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 118924152 SPJJQKMRGHDHDW-XFPJVAEKSA-N 387.564 4.619 0 40 GJAB Cc1ccccc1CNC(=O)COc1ccc2ccccc2c1Br 218902309 BMXHSLGHKACZMX-UHFFFAOYSA-N 384.273 4.606 0 40 GJAB Cc1ccc(CNC(=S)Nc2nc(C)c(Br)cc2Cl)cc1 223941994 KWAUYIBRADPMJS-UHFFFAOYSA-N 384.730 4.601 0 40 GJAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1C 224095740 TZKAGJKCUFBKKD-UHFFFAOYSA-N 375.468 4.555 0 40 GJAB Cc1ccc(CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225389740 YVIBCGMRKBZSEO-UHFFFAOYSA-N 395.572 4.540 0 40 GJAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1 225813927 CNAKRMFCRGWPNP-UHFFFAOYSA-N 375.350 4.635 0 40 GJAB COc1ccc(C2(NC(=S)Nc3ccc(F)cc3F)CCCC2)cc1OC 225857294 VWWJGOAIRCDYBJ-UHFFFAOYSA-N 392.471 4.738 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 245239017 DPBGWNOQXKBDCB-LRUMIOPTSA-N 376.537 4.704 0 40 GJAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(F)cc2)c1 408697164 FLLLBZOURGFZEE-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)cc(C)c1Cl 408703115 NGATTXVWQCEHHA-OAHLLOKOSA-N 388.895 4.501 0 40 GJAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1C 409003283 RPKWFXTUPNRLTQ-KUHUBIRLSA-N 388.895 4.928 0 40 GJAB Cc1cc(O)nc2cc(C(=O)N3CCC[C@@]4(CCCc5ccccc54)C3)ccc12 577439671 LGESWLAXABYHLI-VWLOTQADSA-N 386.495 4.759 0 40 GJAB CCOc1ccc(Oc2ccc(NC(=O)N3CCC(O)(C4CC4)CC3)cc2)cc1 585099425 FZELBPVMFDJFCJ-UHFFFAOYSA-N 396.487 4.646 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)CCc2ccccc2)CN1c1ccc(F)cc1 1615122079 PQZZJIJKCDNJLF-XMMPIXPASA-N 380.507 4.808 0 40 GJAB COc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 790750 IBLANHMXPNWFAR-UHFFFAOYSA-N 380.469 4.878 0 40 GJAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cccnc1 952440 HHVZTDJSEZQCKK-UHFFFAOYSA-N 386.860 4.893 0 40 GJAB CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 980825 UGYQCWIFQPRLPH-UHFFFAOYSA-N 384.907 4.954 0 40 GJAB O=C(CSc1nnc(-c2ccncc2)o1)c1ccc(Oc2ccccc2)cc1 1104805 WINQGTVSYGXJCD-UHFFFAOYSA-N 389.436 4.899 0 40 GJAB C[C@@H]1C(=O)N(Cc2ccccc2F)c2ccccc2N1C(=O)c1ccc(F)cc1 1385975 OUTVBKQZTFALFQ-OAHLLOKOSA-N 392.405 4.547 0 40 GJAB Cc1cccc(C)c1-n1c(S[C@@H]2CCCCC2=O)nc2ccccc2c1=O 2623346 FRXJLOXHASPSSS-LJQANCHMSA-N 378.497 4.606 0 40 GJAB COc1ccc(OCCSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 3352808 RNMVPDSMZHUAPE-UHFFFAOYSA-N 393.468 4.707 0 40 GJAB O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1c(F)cccc1Cl 4120161 PLKVUCWJVJAPES-UHFFFAOYSA-N 384.810 4.503 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1c(F)cccc1F 4305468 OAGSYBVKQKZWJH-SFHVURJKSA-N 384.451 4.560 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)sc(C)c1C 4558413 YYPYWFRCXGUUCX-AWEZNQCLSA-N 375.490 4.564 0 40 GJAB CCc1nnc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2CC)s1 4849504 AVLAFYHLDUVDJL-UHFFFAOYSA-N 386.546 4.559 0 40 GJAB CC(C)Cc1nc(N2c3ccccc3C[C@@H]2C)c2nnn(Cc3ccccc3)c2n1 4898934 KEWJLVQOWUKMLZ-KRWDZBQOSA-N 398.514 4.551 0 40 GJAB CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(C)cc4)csc3n2)cc1 5147026 PZTIWPOYMOKNEH-UHFFFAOYSA-N 391.496 4.951 0 40 GJAB CCc1nc(NCCc2ccc(OC)c(OC)c2)c2oc3ccccc3c2n1 5163122 PBWXOIABVUQBLE-UHFFFAOYSA-N 377.444 4.610 0 40 GJAB CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(Cl)s3)o2)cc1 5541223 FHIXWTPZAMDSPE-UHFFFAOYSA-N 388.828 4.904 0 40 GJAB CCCCC(=O)NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1 6203204 NBOKWJFJIHSDMT-UHFFFAOYSA-N 398.351 4.576 0 40 GJAB CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccccc1Nc1ccccc1 6831758 OYYCFJWRKBWVGT-MJGOQNOKSA-N 380.488 4.767 0 40 GJAB Cc1cc(C(=O)COC(=O)c2ccc(F)cc2Cl)c(C)n1Cc1ccco1 6886492 XWIMXVQKSQHQFV-UHFFFAOYSA-N 389.810 4.578 0 40 GJAB C[C@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 7235185 XJLIJCTVYKJUCX-AWEZNQCLSA-N 394.500 4.604 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 8041168 MVKYFYXKQGBNGM-SFHVURJKSA-N 388.895 4.664 0 40 GJAB CC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 8131957 ZPSNQIFZTMRMIU-OAQYLSRUSA-N 399.899 4.611 0 40 GJAB CCN(C(=O)[C@@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1)C1CCCCC1 8230580 DQUUQKKJXNRLBS-MRXNPFEDSA-N 398.576 4.807 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)c(OC)c1 8324202 CTFCBDMOROPXMV-JOCHJYFZSA-N 392.499 4.872 0 40 GJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1cccc(Cl)c1 9037181 UZWNGQHPYKLHGP-UHFFFAOYSA-N 396.899 4.852 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1Cn1cccn1 10235023 DVKJOZVVBUYAPA-UHFFFAOYSA-N 395.506 4.770 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)c1nc(-c2cccc3[nH]ccc23)no1 12390575 NPXVHUAYHDPIGF-UHFFFAOYSA-N 394.434 4.737 0 40 GJAB COc1ccc2cc(-c3csc(NC(=O)COc4ccccc4)n3)oc2c1 12443604 NMXFRVZTWHAVHY-UHFFFAOYSA-N 380.425 4.582 0 40 GJAB O=C(NCCc1ccccn1)c1ccc(CSc2ccc(Cl)cc2)cc1 12639700 YYZFNRJSLCYBFK-UHFFFAOYSA-N 382.916 5.000 0 40 GJAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(F)c(Cl)c1 12729816 QEGOGFGBQIFWEZ-LJQANCHMSA-N 392.858 4.997 0 40 GJAB O=C(CCCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccc(Cl)cc12 12901690 XOABXALMUPWODZ-UHFFFAOYSA-N 379.891 4.984 0 40 GJAB biogenic CC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1C 12986928 QWAKQHIOCYCYAR-UHFFFAOYSA-N 399.903 4.912 0 40 GJAB COc1ccccc1CNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 15653628 XXNMMPLZXSMGSA-VINFYQEGSA-N 375.512 4.850 0 40 GJAB CSc1ccc(C(=O)CCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 15976945 DJCHKRDHDFNLPG-UHFFFAOYSA-N 381.419 4.707 0 40 GJAB COCCn1cc(C(=O)N[C@@H](c2ccc(C)cc2)c2cccnc2)c2ccccc21 19136756 AOOQATXKROEGLO-DEOSSOPVSA-N 399.494 4.511 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(Cl)c1 20040018 WUSHESIBUHIOJL-NSHDSACASA-N 382.243 4.576 0 40 GJAB Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1-c1ccc(CO)o1 20143955 MGZIEGBRDAJCCV-UHFFFAOYSA-N 379.456 4.888 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(CCc1ccc(F)cc1)CO2 20394430 AXNDMPJERZTQTJ-UHFFFAOYSA-N 393.458 4.514 0 40 GJAB C[C@H](c1ccccc1)N1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCC4 20502519 COKXQOHOOOQDEU-CYBMUJFWSA-N 381.859 4.848 0 40 GJAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)sc1Cl 20626980 ZQTDHCYUWLVMIM-UHFFFAOYSA-N 376.208 4.875 0 40 GJAB COc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)c(OC)c1 21581154 HGWIROHVIVAFRK-FYWRMAATSA-N 399.450 4.828 0 40 GJAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(Oc2ccccc2)cc1 24971451 HZIPUMGQYXPLLW-UHFFFAOYSA-N 397.438 4.720 0 40 GJAB Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)NCCCn3ccnc3)c2c1 27976941 PUNPUNKDJRODHH-UHFFFAOYSA-N 390.512 4.597 0 40 GJAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OC(C)C)cc2)c1 36365764 WDKZEXVRSFFEHZ-IBGZPJMESA-N 377.444 4.792 0 40 GJAB Cc1cc(C(=O)Nc2ccc(F)cc2F)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616796 KNEUVUZPBDRCAM-UHFFFAOYSA-N 396.372 4.707 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@@H]3C)c3c(C)nn(C)c3n2)cc1 36616897 BKPBXTWAIDTJCF-INIZCTEOSA-N 396.494 4.844 0 40 GJAB CCCN(Cc1cc(-c2ccccc2)on1)S(=O)(=O)c1cccc(Cl)c1 39992588 KTXSMMKIVPYHOH-UHFFFAOYSA-N 390.892 4.596 0 40 GJAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cc(Cl)ccc1F 40145618 VWGSNKVUMXDGGL-UHFFFAOYSA-N 391.229 4.595 0 40 GJAB CCCOc1ccc(S(=O)(=O)N(CC)C2CCCCC2)c2ccccc12 41095049 CJTYMFONUOQMOZ-UHFFFAOYSA-N 375.534 4.972 0 40 GJAB CCOC(=O)c1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1Cl 44846277 TVAGGJJPJOIUCM-UHFFFAOYSA-N 375.852 4.658 0 40 GJAB Cc1ccc(C(=O)OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(C)c1 51315281 GXMZXBZJOSFTIE-UHFFFAOYSA-N 392.333 4.609 0 40 GJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 57543917 GUDQRSPSYNAINM-AWEZNQCLSA-N 377.444 4.972 0 40 GJAB COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3ccccc3)c2cc1OC 64474038 QIKSKYRGTMAAFR-UHFFFAOYSA-N 391.471 4.622 0 40 GJAB COc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccccc2)cc1 66088127 LTJRYNOMBCRXMF-HSZRJFAPSA-N 381.435 4.835 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H]2CCc3ccccc32)cc1Cl 72329354 QXQZHWIFHKESKN-GOSISDBHSA-N 381.863 4.546 0 40 GJAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353858 JKVXZYSUWZWNJO-HXUWFJFHSA-N 389.474 4.535 0 40 GJAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72356064 RZCOPXCNBHPILT-NRFANRHFSA-N 389.474 4.535 0 40 GJAB CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1ccncc1 79018071 HQPAYPFRPRAWMS-GOSISDBHSA-N 389.337 4.708 0 40 GJAB O=C(C[C@@H]1OCCc2ccsc21)Nc1cccc(-c2cn3c(n2)CCCC3)c1 89779638 ACJLWNABMGWVHC-IBGZPJMESA-N 393.512 4.591 0 40 GJAB CCOc1cc(CO)cc(Br)c1OCc1ccc(F)cc1Cl 95095025 FKHXPUQMYHDURT-UHFFFAOYSA-N 389.648 4.712 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)cc2)C[C@@H](c2ccccc2O)C1 102625463 ADUZBXJVJSOBOG-XCLFUZPHSA-N 392.846 4.702 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCc1ccc(Cl)cc1 219681465 GJUOVQJNINSCPM-ZDUSSCGKSA-N 396.712 4.619 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 223131722 SJQXNLWBGZSEED-UHFFFAOYSA-N 376.437 4.879 0 40 GJAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccccc3Cl)cn2)C1 223935264 ZNYHUPREBWVNCV-GASCZTMLSA-N 388.968 4.704 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(C)c(C)c1 225177189 GHGLIJMELMXKSK-HSZRJFAPSA-N 381.516 4.535 0 40 GJAB COc1cc(CNC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC(C)C 225665616 NTWBZJWOWYEVMU-UHFFFAOYSA-N 385.504 4.853 0 40 GJAB Cc1cccc(C2(NC(=S)Nc3ccc(N4CCCC4=O)cc3)CCCC2)c1 225865144 UCLNCANQZNMVEL-UHFFFAOYSA-N 393.556 4.878 0 40 GJAB C/C(=C\c1ccccc1)CN1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 257310611 UFWSNTLICXUQGJ-QYAIIROKSA-N 386.499 4.697 0 40 GJAB Cc1cccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1C 408624170 BIZOUVDKSIDGKY-UHFFFAOYSA-N 386.451 4.807 0 40 GJAB O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 540092534 XYLGJDTXJYYMPJ-BTHPGYMESA-N 389.417 4.703 0 40 GJAB Cc1cc(-c2ccco2)c2nc(NC(=O)Cc3ccc4c(c3)CCO4)sc2c1 1525642192 YFFKFZNTINDUQW-UHFFFAOYSA-N 390.464 4.981 0 40 GJAB O=C(NCCc1ccc(C2CCCCC2)cc1)N1CCC([C@H]2CCCO2)CC1 1674357574 BVYDWKXTTYWVLE-HSZRJFAPSA-N 384.564 4.877 0 40 GJAB CCOc1cccc(NC(=O)c2cc(Br)ccc2Br)c1 642746 NOYGYHJTSIWVGL-UHFFFAOYSA-N 399.082 4.863 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2F)cc(OCC)c1OCC 657337 XVXVWIVQIVQCOP-UHFFFAOYSA-N 381.831 4.928 0 40 GJAB Cc1cc2sc(NC(=O)c3cncc(Br)c3)nc2cc1Cl 679639 GMQDACAMRKXGHF-UHFFFAOYSA-N 382.670 4.668 0 40 GJAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cccc(C(=O)OC)c1 954339 OHYBJPRHSWYTKN-UHFFFAOYSA-N 384.819 4.595 0 40 GJAB O=C(Nc1ccccc1C(=O)N1CCCC1)C(c1ccccc1)c1ccccc1 1088220 YBQISPZPVVXWQE-UHFFFAOYSA-N 384.479 4.693 0 40 GJAB COc1ccc(N2C(=O)S/C(=C\c3cccc(Br)c3)C2=O)cc1 1198433 ZMJXVKVYSRESLY-GDNBJRDFSA-N 390.258 4.699 0 40 GJAB CC[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(Cl)cc1 2199575 JXHFUTFQVLTFMH-INIZCTEOSA-N 386.908 4.645 0 40 GJAB CC1(C)Cc2c(sc3nc(Cl)n(-c4ccc(Cl)cc4)c(=O)c23)CO1 2233565 KZDYCUWQEFUIGQ-UHFFFAOYSA-N 381.284 4.605 0 40 GJAB CCOC(=O)c1cc2cc(Oc3ccc4[nH]c(C(=O)OCC)cc4c3)ccc2[nH]1 2273172 SLDAFYOJKSJRJA-UHFFFAOYSA-N 392.411 4.795 0 40 GJAB CCOc1ccc(CC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 2961295 FGEYDWZZKONLGZ-UHFFFAOYSA-N 389.480 4.938 0 40 GJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1cccc(Cl)c1 3216600 FVEDRFWBZCOUMM-UHFFFAOYSA-N 394.858 4.563 0 40 GJAB CCc1cccc(CC)c1NC(=O)c1cccc(I)c1 3473933 CKEWCNIKEVHEBH-UHFFFAOYSA-N 379.241 4.668 0 40 GJAB CC(=O)Nc1sc2c(c1[C@H](c1cccnc1)N1CCC(C)CC1)CCCC2 4193660 STHUUBPFGZWLOV-NRFANRHFSA-N 383.561 4.802 0 40 GJAB CCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 4602007 RFRYYVRXLSTESC-QFIPXVFZSA-N 389.451 4.698 0 40 GJAB COc1ccc(C2=N[C@H](c3ccc(OC)cc3)[C@H](c3ccc(OC)cc3)N2)cc1 4784983 COFINZKQFSLCKX-ZRZAMGCNSA-N 388.467 4.545 0 40 GJAB C[C@H]1CN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)C[C@H](C)O1 4942349 CQYLDUSZLQSUFQ-KBPBESRZSA-N 398.304 4.673 0 40 GJAB Cc1cc(C)cc(-c2nnc(SCC(=O)N[C@@H](C)CCc3ccccc3)o2)c1 5219321 MGAFERBRAUHNMY-KRWDZBQOSA-N 395.528 4.583 0 40 GJAB Cc1ccc2sc(N(CCN(C)C)C(=O)CSc3ccccc3)nc2c1C 5239677 IYDQUCLHOALOJW-UHFFFAOYSA-N 399.585 4.600 0 40 GJAB COc1ccc(-n2c(S)nnc2-c2ccc(Cl)cc2Cl)c(OC)c1 5447883 KLIYZTOAXWPBMK-UHFFFAOYSA-N 382.272 4.547 0 40 GJAB O=C(Nc1ccccc1N1CCCC1=O)c1cccc(OCc2ccccc2)c1 8388814 NEGUSBUYYZVQFA-UHFFFAOYSA-N 386.451 4.645 0 40 GJAB CCOC(=O)c1ccc2nc(C)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 8714054 SXKHQFSIQGLBMT-XDHUDOTRSA-N 396.531 4.826 0 40 GJAB Cc1cccc(-n2ccnc2S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c1C 8725195 WYKWGWCFKREAAR-HNNXBMFYSA-N 376.485 4.579 0 40 GJAB COc1ccc(NC(=O)c2ccccc2CSc2nc(C)cc(C)n2)cc1 8757124 RSSFOWWBIRXJPA-UHFFFAOYSA-N 379.485 4.647 0 40 GJAB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)o2)c1 9062121 NTJMHWVEAJIURC-UHFFFAOYSA-N 398.422 4.550 0 40 GJAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3nccc3C)cc2)cc1 9386040 NJPJWPQZRCZYRK-JOCHJYFZSA-N 375.472 4.557 0 40 GJAB Cc1cc(C(=O)COC(=O)c2ccc(Br)s2)c(C)n1C(C)C 9605795 RFQWCKUQFKYYOS-UHFFFAOYSA-N 384.295 4.550 0 40 GJAB O=C(c1cccc(F)c1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 12422071 QUJDSOCBUHICTO-QHCPKHFHSA-N 396.425 4.760 0 40 GJAB Cc1cc(NC(=O)c2cccs2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442052 RDEAFECDFFJASR-UHFFFAOYSA-N 384.461 4.757 0 40 GJAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1C 12526182 TYIGQCFAUQOOQZ-UHFFFAOYSA-N 398.484 4.566 0 40 GJAB Cc1cnc2c(S(=O)(=O)N(C)[C@H](C)c3cc4ccccc4o3)cccc2c1 12527423 BREJIXKVLNFZMK-OAHLLOKOSA-N 380.469 4.671 0 40 GJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1Cc1ccc(F)cc1 12538663 TYYWIFXMHQQHPI-HXUWFJFHSA-N 399.469 4.740 0 40 GJAB O=C(/C=C/c1cccnc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 12644722 CVOYPUKCWFDFQE-VOTSOKGWSA-N 389.402 4.800 0 40 GJAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 13649734 NZPFWDJZLGTMFY-ZDUSSCGKSA-N 396.350 4.786 0 40 GJAB CC(C)CCn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 16903827 PVXXMUDBFLOAAX-GOSISDBHSA-N 379.479 4.738 0 40 GJAB O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1cccc(F)c1 20410993 ZSTABVMARWKYML-UHFFFAOYSA-N 381.388 4.533 0 40 GJAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCCC2)c1 21897468 XOKDTAHIFGBLGW-UHFFFAOYSA-N 375.472 4.564 0 40 GJAB CCn1cc(C(=O)Nc2cc(C)ccc2C)c(=O)c2cc(C(F)(F)F)ccc21 22236726 GSVYKZZYPPGWBD-UHFFFAOYSA-N 388.389 4.909 0 40 GJAB C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccccc4Br)no3)ccc2O1 28286978 PUJWXVJNOKPPCX-LLVKDONJSA-N 399.244 4.680 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3cccc4ncccc34)sc2C)cc1 28940585 RWLCIBKGMXXXTK-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB Cc1cccc(Cn2nccc2NC(=O)c2csc(-c3ccsc3)n2)c1 30527026 TZMRWLPBTDXXQT-UHFFFAOYSA-N 380.498 4.677 0 40 GJAB CCc1cccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 32578551 ABNKQZUUDRYUFZ-UHFFFAOYSA-N 399.450 4.984 0 40 GJAB CC(C)N(C(=O)[C@H](C)Sc1nnc(Nc2ccc(F)cc2)s1)C(C)C 32824137 TWWYIEBUCOFGGD-LBPRGKRZSA-N 382.530 4.547 0 40 GJAB O=C(NCC(F)F)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 36618394 VTZJVDUKVGPXHS-UHFFFAOYSA-N 397.356 4.691 0 40 GJAB O=C(c1cccc(I)c1)c1ccc(Cl)c(Cl)c1 37377437 ZLNWSMONLPEBGK-UHFFFAOYSA-N 377.008 4.829 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 44839885 UYDISFBWATYCAR-KRWDZBQOSA-N 391.515 4.562 0 40 GJAB Cc1cc(C)cc(OCCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 48290674 OCULKOZQHRNAON-UHFFFAOYSA-N 391.515 4.533 0 40 GJAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccsc2)c(Br)c1 48367671 XQFARRHKZZCIOS-INIZCTEOSA-N 379.323 4.595 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H](C)Oc1ccccc1 49985297 HYXDYMWBRWUIPD-HNNXBMFYSA-N 399.878 4.595 0 40 GJAB Cc1cc2nc(-c3cc(Br)c(N)c(Br)c3)[nH]c2cc1C 70461510 GMYGDDOHQGJDAM-UHFFFAOYSA-N 395.098 4.954 0 40 GJAB C[C@@H](c1ccccc1Cl)N(C)Cc1csc(CNC(=O)c2ccccc2)n1 72309114 OIJUHHSGVQXICI-HNNXBMFYSA-N 399.947 4.920 0 40 GJAB CC[C@@]1(C)CCCN(C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)C1 78947310 JAXSPNSSADIXMA-CPJSRVTESA-N 392.543 4.731 0 40 GJAB CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@@H](CO)C(=O)O 90427542 FQUVPTVNRMUOPO-MTNSVXIUSA-N 391.552 4.694 0 40 GJAB O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1ccc(F)c(F)c1F)SCC(O)=N2 95472630 YSCHHXWBMIBSET-INIZCTEOSA-N 397.422 4.523 0 40 GJAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1cccc(Cl)c1 96357736 BBZLEMVIEZBJKK-UHFFFAOYSA-N 379.803 4.826 0 40 GJAB O=C(Nc1cccc2c1CCCC2)c1ccc(I)cc1F 98073332 ONEDBDDAKLMJOJ-UHFFFAOYSA-N 395.215 4.561 0 40 GJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 105547322 OXPWZTLOFUZAJW-BPUTZDHNSA-N 385.895 4.707 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(OC(C)C)c(OC)c1 222963596 GEFURNYGVYZVOP-LJQANCHMSA-N 385.504 4.573 0 40 GJAB COCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC 224398661 JGHIYPYCDONVCF-UHFFFAOYSA-N 377.440 4.673 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 225114354 ZRSGWXUOBAGREG-NHCUHLMSSA-N 394.559 4.568 0 40 GJAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NCCc1ccccc1 225337140 YDKIILUMGJAONH-UHFFFAOYSA-N 399.519 4.774 0 40 GJAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)ccc21 230060686 LPZWIEZZDOUSEX-IMRHEYAYSA-N 389.495 4.936 0 40 GJAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)c2ccccn2)CO[C@H]1c1ccc(F)cc1 257231161 GFOVMNSFDZRAJO-RRPUWOKSSA-N 382.479 4.629 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(C)n3-c3cccnc3)N21 260788323 YVECDQRTJJDVTG-CZAAIQMYSA-N 389.528 4.555 0 40 GJAB CO[C@H](C(=O)NCCSCc1ccc(Cl)cc1Cl)c1ccccc1 408921675 UKNAAAYAFLBCLW-KRWDZBQOSA-N 384.328 4.731 0 40 GJAB CCOc1ccc(NCc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 409122184 ZZWWNOUPTHMCII-UHFFFAOYSA-N 397.496 4.774 0 40 GJAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)c1 409380457 DUAYHISAGYXGPN-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCn1c(COc2ccccc2F)nnc1SCc1ccc(Cl)cc1 409385540 NBYQQVCZTQJEOT-UHFFFAOYSA-N 377.872 4.962 0 40 GJAB CC(F)(F)C1(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)CC1 585099435 GSAVQCZPYSGXCJ-UHFFFAOYSA-N 399.481 4.597 0 40 GJAB Cc1cc(Oc2ccc(CN[C@H](C)[C@@H](O)C(F)(F)F)c(Cl)c2)ccc1F 1560555205 FEOXVONWCJLXSA-PIGZYNQJSA-N 391.792 4.981 0 40 GJAB Nc1c(C(=O)N2CCc3ccccc3C2)sc2nc3c(cc12)CCCCCC3 1010363 HXMWWTTVCXDELB-UHFFFAOYSA-N 391.540 4.736 0 40 GJAB CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)[C@@H]1CCCO1 1465702 JYBAFQBYMWTKEI-KRWDZBQOSA-N 387.501 4.833 0 40 GJAB CCCCCn1c(N)c(C(=O)OCC(CC)CC)c2nc3ccccc3nc21 2388960 UMTPFTIMVAYLSO-UHFFFAOYSA-N 382.508 4.950 0 40 GJAB COC(=O)c1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1 4331184 VFOMHGIGKMVGMP-UHFFFAOYSA-N 381.240 4.642 0 40 GJAB NC1=N[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)n2c(nc3ccccc32)N1 4864195 XHRVIJYVANHSIO-LJQANCHMSA-N 389.846 4.769 0 40 GJAB CC1(C)CC(=O)C2(Cc3cc(C(F)(F)F)ccc3N3CCCC[C@H]32)C(=O)C1 4914297 BVNRUNJXQLENJS-INIZCTEOSA-N 379.422 4.565 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc3c(s2)CCCC3)sc2c1CCCC2 4932972 JDJFUUWKGADEBZ-UHFFFAOYSA-N 389.542 4.996 0 40 GJAB O=C(c1cccc(C(F)(F)F)c1)C1CCN(C(=O)NC2CCCCC2)CC1 4966749 HPZQJLIKJRAVBR-UHFFFAOYSA-N 382.426 4.642 0 40 GJAB C[P@](=O)(Nc1ccc(I)cc1F)Oc1ccccc1 5276817 SQAQHRPLJQONTD-LJQANCHMSA-N 391.120 4.744 0 40 GJAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc2ccccc2oc1=O 5777107 WTTKZWFDJFZHEQ-UHFFFAOYSA-N 396.855 4.746 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1cc(Cl)ccc1Cl 6054760 BELBFDRBIODHQH-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB CC(=O)Nc1ccc(OC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1 6479753 JLQTWTXTKFAZDL-UHFFFAOYSA-N 375.424 4.752 0 40 GJAB CC(=O)c1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 6514882 QPGBFEKXLOXSID-UHFFFAOYSA-N 399.874 4.536 0 40 GJAB Cc1cccc(COc2ccc([C@@H]3S[C@H](C)C(=O)Nc4[nH]nc(C)c43)cc2)c1 6678698 UCHWIYCNBSNFAQ-QRWLVFNGSA-N 393.512 4.769 0 40 GJAB C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@@H]1c1cccn1C 7854104 CQPDJPZKKZTSOW-WZONZLPQSA-N 389.499 4.982 0 40 GJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(COc2ccccc2)o1 8156947 FEXSZHQEFCHZAT-UHFFFAOYSA-N 390.483 4.731 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(-c3ccccc3F)o2)N1C[C@H]1CCCO1 8160236 VTCCJGMCBGDOTG-IVZQSRNASA-N 392.430 4.831 0 40 GJAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCC(C)C)CC2=O)cc1 8657266 BLGRRMHEDBEFPP-KRWDZBQOSA-N 377.488 4.612 0 40 GJAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3ccccc3)cc21 8959775 HFFIYCXIGGODFG-UHFFFAOYSA-N 394.515 4.666 0 40 GJAB C[C@@H](NC(=O)c1ccc(COc2ccccc2)o1)c1ccc(-n2ccnc2)cc1 9338153 MRZJGMMHIQGSET-QGZVFWFLSA-N 387.439 4.535 0 40 GJAB Cc1cc(C(=O)Nc2ccc(Br)c(C)c2)c2cnn(C(C)C)c2n1 10958241 QJVULHLJKMGINE-UHFFFAOYSA-N 387.281 4.644 0 40 GJAB COc1cc(CN2CCC(O)(c3ccccc3F)CC2)ccc1OC1CCCC1 12363531 QRDHCAITLLYXDK-UHFFFAOYSA-N 399.506 4.639 0 40 GJAB CC(=O)N1C[C@@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)Oc2ccccc21 12789245 RNSUKDODLLEZTE-NRFANRHFSA-N 380.488 4.686 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)cc1 12993901 BCISSBOYGLDPEC-UHFFFAOYSA-N 397.525 4.539 0 40 GJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccc(Cl)cc1 14398120 XZDKYIYKCPHCAR-IBGZPJMESA-N 393.936 4.556 0 40 GJAB O=C(Oc1cccc2ccccc12)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 18241401 KZSMPEBIMWPTFJ-OYRHEFFESA-N 397.430 4.515 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(SC)cc1 20029966 RLIGNHXQIJWINF-GFCCVEGCSA-N 385.938 4.500 0 40 GJAB COc1ccc(C)cc1NC(=O)CSCc1ccccc1Br 20238205 FCZDTZKLJKFNID-UHFFFAOYSA-N 380.307 4.638 0 40 GJAB CN(Cc1ccccc1N1CCCCC1)C(=O)NCc1nc2ccccc2s1 22878391 AOQTYARSAFHRJS-UHFFFAOYSA-N 394.544 4.628 0 40 GJAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140464 ZHSKKCHPEUADFK-LBPRGKRZSA-N 388.880 4.863 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 26930584 ICOCNNQPGVQOIU-UHFFFAOYSA-N 396.516 4.520 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)cs2)cc1 27991905 IYOOHVPZOFYVQD-GOSISDBHSA-N 394.540 4.862 0 40 GJAB Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)sc2c1 28690695 ABTQHCHATHMNEJ-UHFFFAOYSA-N 385.876 4.637 0 40 GJAB O=C(c1ccco1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 29255205 GFEZIKWLYOSDNF-UHFFFAOYSA-N 386.904 4.620 0 40 GJAB CC(C)Oc1cccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 30852786 DIICMYNJAJPZNL-UHFFFAOYSA-N 397.496 4.745 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 32610141 GSDPNBNEROOKQT-NEPJUHHUSA-N 398.286 4.655 0 40 GJAB COc1ccc(Cc2nc3ccccc3n2CC(=O)Nc2c(C)cccc2C)cc1 40306333 ASXBHVIAZIRFNI-UHFFFAOYSA-N 399.494 4.891 0 40 GJAB Cc1cc(Br)oc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 44308675 YJHMMQUKCWWHOY-GFCCVEGCSA-N 391.290 4.938 0 40 GJAB FC(F)(F)Oc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 49169284 SMPIOQDFIZFILQ-INIZCTEOSA-N 389.377 4.625 0 40 GJAB biogenic,in-vitro O=C(Nc1cccc(Br)c1)Nc1ccc(Br)cc1F 51354357 FKYMGXBURYMBAW-UHFFFAOYSA-N 388.034 4.995 0 40 GJAB CCc1cccc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1 52712828 ULUUZMFFZRVUIM-UHFFFAOYSA-N 395.768 4.654 0 40 GJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cccc(F)c1F)NC2 55008570 RRXBRLCQWPRPLA-QFIPXVFZSA-N 384.426 4.746 0 40 GJAB Cc1ccc2nc(C)c(C(=O)Nc3cccc(-c4nc(C5CC5)n[nH]4)c3)cc2c1 58330019 RIYMLMHTEWJPPI-UHFFFAOYSA-N 383.455 4.766 0 40 GJAB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2Cl)cc1 59488985 FJYMHFNZURDVAY-SFHVURJKSA-N 396.796 4.512 0 40 GJAB O=C(Nc1ccccc1Cl)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 77171601 YLLGVKSKEMYWTP-MRXNPFEDSA-N 384.785 4.964 0 40 GJAB CC(C)c1nc2ccc(N[C@@H](C)C(=O)N3CCc4sccc4C3)cc2s1 84631202 BWXNCWLKXYLXDQ-ZDUSSCGKSA-N 385.558 4.867 0 40 GJAB O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1ccc(F)cc1F 95948266 UDTAIDVBUMUYHG-UHFFFAOYSA-N 377.394 4.875 0 40 GJAB Cc1ccc(NC(=O)C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1C 96997246 NRSCARCITOQFNS-IBGZPJMESA-N 396.537 4.539 0 40 GJAB COc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2c(Cl)cc(Cl)cc23)cc1 101085263 OCOHCTTYVRVADG-QAPCUYQASA-N 379.243 4.772 0 40 GJAB O=C(CSC(=S)N1CCC(Cc2ccccc2)CC1)Oc1ccccc1 215683922 SSHCKLKOZDQLIH-UHFFFAOYSA-N 385.554 4.565 0 40 GJAB COc1c(Cl)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl 222583836 BESGOEAKZBJUIH-AMKSKSKJSA-N 394.327 4.986 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1 223030371 YVPWINMUFIILKE-NRFANRHFSA-N 389.923 4.954 0 40 GJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223075429 GXOZQZKVNIPNLV-PKTZIBPZSA-N 381.516 4.999 0 40 GJAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223416601 ZNFJXRSJEJKVIB-HXUWFJFHSA-N 386.923 4.592 0 40 GJAB COc1ccc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc2c1 224253898 XAAYJTJPRMENEB-UHFFFAOYSA-N 382.268 4.956 0 40 GJAB COc1ccc(CCC(=O)NCCSCc2ccccc2Cl)cc1C 224475312 HGHRZMSXEUBREB-UHFFFAOYSA-N 377.937 4.639 0 40 GJAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C 225574884 DCKHEECSRNVEAI-UHFFFAOYSA-N 385.479 5.000 0 40 GJAB CCOC(=O)c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 408990115 MOXGHPPKCDKHOP-UHFFFAOYSA-N 382.485 4.900 0 40 GJAB O=C1CCSc2ccc(C(=O)Nc3cccnc3Oc3ccccc3)cc2N1 591135101 OGHZCCUYYAZMGP-UHFFFAOYSA-N 391.452 4.561 0 40 GJAB COc1ccc2sc(C(=O)N(Cc3ccc(C)nc3)CC3CC3)c(C)c2c1 1537398120 GQPZQQXWESUDRH-UHFFFAOYSA-N 380.513 4.974 0 40 GJAB Cc1cc(NC(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)ccc1N1CCOCC1 1637160591 DMUJZHIWFJLYSX-UHFFFAOYSA-N 391.515 4.863 0 40 GJAB Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)N3CCC[C@@H](C)C3)c2c1 906285 HGESJWHBVSNVBQ-QGZVFWFLSA-N 391.540 4.956 0 40 GJAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccc(OC)c1 998951 DDPWQQXGNFFNMA-UHFFFAOYSA-N 385.416 4.602 0 40 GJAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)C(F)(F)F)c(Cl)nc2c1 1367629 NSMWUEOOFKAHEY-UHFFFAOYSA-N 382.769 4.881 0 40 GJAB CN(C)CCCN(C(=O)c1ccccc1Cl)c1nc2ccc(F)cc2s1 4359568 NOLYTSVAVJTLLI-UHFFFAOYSA-N 391.899 4.687 0 40 GJAB COc1cccc(-c2cn3cc(-c4cccc(Br)c4)n(C)c3n2)c1 4678193 DJXMSTUDIXKFKF-UHFFFAOYSA-N 382.261 4.778 0 40 GJAB Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1 4735129 FJIPCZAQMYEHPY-UHFFFAOYSA-N 379.803 4.833 0 40 GJAB Cc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccccc2)cc1 4890482 RQFZEPZFBSFKIH-UHFFFAOYSA-N 377.513 4.838 0 40 GJAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccc(Br)cc2)cc1 4928748 ZDIWZWDJULRZHV-GOSISDBHSA-N 382.261 4.539 0 40 GJAB Cc1cccc(OCc2nnc(SCC(=O)c3ccc4c(c3)CCCC4)o2)c1 5293881 KLRUISGSUWOOLO-UHFFFAOYSA-N 394.496 4.811 0 40 GJAB CN(C)c1ccc(C2=NO[C@@H](COc3ccc(Cl)c4cccnc34)C2)cc1 5371936 FQWMIQXBICKUFU-MRXNPFEDSA-N 381.863 4.526 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCSc1ccccc1 5937623 PELQKQFZMUSMHE-UHFFFAOYSA-N 385.920 4.746 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C)cc23)cc1 7408300 LSLDAGGIFMLAND-UHFFFAOYSA-N 378.472 4.713 0 40 GJAB Cc1cc(OCCCC(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)ccc1Cl 9112703 LPJRYIFNFSUYCW-FQEVSTJZSA-N 397.906 4.631 0 40 GJAB Cc1cccc(CSCc2nnc(NC(=O)/C=C/c3ccccc3)s2)c1 9136668 SARNFMPILXCMJJ-ZHACJKMWSA-N 381.526 4.932 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 9195004 JWLQREKAMGNQJV-UHFFFAOYSA-N 380.488 4.742 0 40 GJAB COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2)c1 9427751 VVNJUKANQYEPNK-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)s2)sc2c1CC[C@@H](C)C2 10060944 HDWIPSXOTPOEQC-SNVBAGLBSA-N 397.949 4.946 0 40 GJAB CCCCOc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C 11565958 BPHDULBCCFYLOG-UHFFFAOYSA-N 387.423 4.994 0 40 GJAB OCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1 12375828 GQJFGCPSLOTCPL-ZZEZOPTASA-N 389.318 4.594 0 40 GJAB Cc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c(Br)c1 12793888 FJKVONCFKUAEKK-CQSZACIVSA-N 390.277 4.568 0 40 GJAB Cc1csc(N(C(=O)CSc2nnc(-c3ccco3)o2)c2ccccc2)n1 12880029 SYIWSKCXRDIGOR-UHFFFAOYSA-N 398.469 4.552 0 40 GJAB Cc1cc(Cl)c(CC(=O)Nc2ccc(Br)c(C)c2)c(Cl)n1 15191296 OHYXJKMMXOHCGP-UHFFFAOYSA-N 388.092 4.949 0 40 GJAB COc1ccc(Cl)cc1CN(C)C(=O)Cc1csc(-c2cccs2)n1 15642211 ZEJUNKZYALMCLH-UHFFFAOYSA-N 392.933 4.735 0 40 GJAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)N1CCCc2ccccc21 19298277 WWHMDQDQNJIVKH-CQSZACIVSA-N 381.476 4.676 0 40 GJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(OCC(C)C)c1 20142097 JOSZROWCPVRGAH-UHFFFAOYSA-N 395.455 4.735 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)NC1CCCCC1 22504530 XFEMGRVJMIHTRB-UHFFFAOYSA-N 383.517 4.795 0 40 GJAB CC[C@H](CNC(=O)c1ccc(SCc2nc(C)no2)cc1)c1ccccc1 23007369 MZEBGCPQJFQLDA-MRXNPFEDSA-N 381.501 4.594 0 40 GJAB COc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1OCc1ccncc1 32832304 DTWOCNTVXDQKHN-UHFFFAOYSA-N 386.810 4.714 0 40 GJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1cccs1 32900589 FIZCAFOMYPEJES-MRXNPFEDSA-N 378.497 4.763 0 40 GJAB Cc1ccc(CSCC(=O)Nc2cccc(OCc3ccncc3)c2)cc1 32921885 MINPCGDLPBSPHE-UHFFFAOYSA-N 378.497 4.841 0 40 GJAB CC(C)(CNC(=O)c1cnc(-c2ccc(Cl)cc2)nc1)c1cccc(F)c1 35317023 UWVKPJCPNMSLOD-UHFFFAOYSA-N 383.854 4.644 0 40 GJAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38848584 MWRQPCGCNXHADX-KRWDZBQOSA-N 377.315 4.522 0 40 GJAB O=C(c1cccs1)N1N=C(c2ccsc2)C[C@H]1c1ccc2nccnc2c1 39563657 QKPCBIYDIBRQCZ-SFHVURJKSA-N 390.493 4.744 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2F)CC1 39744173 ZQUHUWIKFMIEME-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB O=C(CCc1nc(-c2ccccc2)no1)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117466 VVSBKKUDHZBWOT-JOCHJYFZSA-N 393.462 4.856 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H]4C[C@@H]4c4ccc(F)cc4)CC3)c2c1 42970373 HALRKFBNPAZKHN-CTNGQTDRSA-N 390.458 4.735 0 40 GJAB Cc1ccc2nc(SCc3coc(-c4cccc(Cl)c4)n3)n(C)c(=O)c2c1 48345517 UZUVGTPNICLSCJ-UHFFFAOYSA-N 397.887 4.843 0 40 GJAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccsc2)c(Br)c1 48367669 XQFARRHKZZCIOS-MRXNPFEDSA-N 379.323 4.595 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccccc3C)oc12 67293424 LFUPFZYIBIFCBS-BZZOAKBMSA-N 385.423 4.630 0 40 GJAB O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 71817387 MDDSPLNXNACHSB-KBPBESRZSA-N 389.402 4.966 0 40 GJAB Nc1cc(Cl)c(NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl 72229515 BYUNOONSXJBOJE-UHFFFAOYSA-N 380.058 4.900 0 40 GJAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)c1c(-c2ccccc2)[nH]c2ccccc12 72271184 WMIRAZJIELDRKD-SFHVURJKSA-N 384.483 4.620 0 40 GJAB CC(C)(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 72313616 UXXLIFCSSYOQJI-SFHVURJKSA-N 398.503 4.808 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(OC(C)C)cc1)SCC(O)=N2 79486446 AFXQBBAUCZVOHK-FQEVSTJZSA-N 394.500 4.787 0 40 GJAB O[C@H](CN1CCC(c2nc3ccccc3o2)CC1)c1ccccc1C(F)(F)F 84501580 LGBSDUTUGADZNR-GOSISDBHSA-N 390.405 4.760 0 40 GJAB Cc1ccc(-c2cc(C(=O)N[C@@H]3C[C@H]3c3ccccc3OC(F)F)on2)cc1 95960932 AUWFPVSJXOSDOA-DOTOQJQBSA-N 384.382 4.537 0 40 GJAB O=C(Cc1c(F)cccc1Cl)N(CCc1cccs1)Cc1ccco1 96120273 ZDKJQWIRHILTHQ-UHFFFAOYSA-N 377.868 4.948 0 40 GJAB Cc1ccnc(NC(=O)CC23C[C@H]4C[C@H](C2)CC(c2c(C)noc2C)(C4)C3)c1 103151511 JWYMCOIHBCICNK-YUOVDFJASA-N 379.504 4.862 0 40 GJAB CC(=O)Nc1ccc(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 206991700 ZAPHVFKWRVVCSS-LJQANCHMSA-N 388.920 4.619 0 40 GJAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)ccc1Cl 222637758 LHHJRJSBJPQEKQ-AWEZNQCLSA-N 389.879 4.964 0 40 GJAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 222760298 ZXXPAWTXQMJMPI-RBUKOAKNSA-N 383.904 4.906 0 40 GJAB CC(C)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)s1 223321458 YDMFNNXZUGMPLX-CYBMUJFWSA-N 391.562 4.571 0 40 GJAB CCC1(CC)C[C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2O1 224664853 NHUJRIHRGWGEFC-KRWDZBQOSA-N 399.487 4.525 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)NC(c2ccccc2)c2ccccc2)c1 225518882 XJHLQTKVEFWPQC-UHFFFAOYSA-N 390.508 4.858 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccc(Cl)cc2)c(C)c1 225544819 WRHHXPLCAQCBEZ-UHFFFAOYSA-N 390.936 4.744 0 40 GJAB Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225591519 NRRIVRXUEFRFCP-SFHVURJKSA-N 389.492 4.639 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc2c(c1)CCCC2 225743794 WGINVCNLAOVIRG-NRFANRHFSA-N 379.500 4.671 0 40 GJAB C[C@H](NC(=S)Nc1nc(Cl)cc(N2CCCC[C@H]2C)n1)c1ccccc1 260710207 DTPKAVZOOAPMAC-KGLIPLIRSA-N 389.956 4.556 0 40 GJAB CCc1ccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 408627101 KCXBJPKLYSAVTC-UHFFFAOYSA-N 386.451 4.752 0 40 GJAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408667148 QIBBILNHFPGTTC-GOSISDBHSA-N 391.854 4.966 0 40 GJAB O=C(Nc1ccccc1F)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408697567 HXJLJDDPVXNEHI-UHFFFAOYSA-N 394.356 4.604 0 40 GJAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(F)cc2)c1 408699343 SVKILJVBTPODLE-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1nc(CC2CC2)oc1-c1nc(Cn2c(C(C)C)nc3ccccc32)no1 516995995 KUZYKCVOYIKZTE-UHFFFAOYSA-N 377.448 4.507 0 40 GJAB O=C(c1ccc(Br)cc1C(F)(F)F)C(F)(F)Br 575362233 AXSZJVXUACBISZ-UHFFFAOYSA-N 381.920 4.638 0 40 GJAB O=C(c1cc(C(F)(F)F)cnc1O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 635537671 BCSCXFHDEQTTMU-QGZVFWFLSA-N 389.377 4.655 0 40 GJAB CCc1ccc(NC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1OC 654106524 LOSIRXJAJHMTAB-UHFFFAOYSA-N 390.487 4.612 0 40 GJAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cc(OC)ccc1OC 1547205841 SUXXMXLMLJRNQI-FQEVSTJZSA-N 399.487 4.711 0 40 GJAB Cc1ccc([C@H]2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1 1889238089 BNGXYYHCAYADKM-LJQANCHMSA-N 392.846 4.833 0 40 GJAB CSc1ccccc1NC(=O)N1C[C@H]2CCN(CC3CCCC3)CC[C@H]2C1 2056224712 QTOUEOYLKOTKIX-KDURUIRLSA-N 387.593 4.774 0 40 GJAB Fc1cccc(-c2nc(-c3ccccc3)ncc2-c2nnnn2-c2ccccc2)c1 1041259 NTMCDQOJDGSPSR-UHFFFAOYSA-N 394.413 4.592 0 40 GJAB Cc1ccc2cc(CN(C(=S)NCC(C)C)C3CCCCC3)c(=O)[nH]c2c1 1224190 XQGACXBFOJYFIL-UHFFFAOYSA-N 385.577 4.502 0 40 GJAB O=C(Nc1ccc(-c2noc(COc3ccccc3Cl)n2)cc1)c1ccco1 2930861 WXDJTSUCRJJSEM-UHFFFAOYSA-N 395.802 4.814 0 40 GJAB aggregator Cc1ccc(CSCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 2954343 PMAJLHSWDQMHLB-UHFFFAOYSA-N 388.964 4.539 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OC(=O)c3ccc4c(c3)OCO4)c2n1 3262940 ZVEAEZSVVVPBCU-UHFFFAOYSA-N 376.195 4.798 0 40 GJAB Cc1c(CC(=O)NC(C)C)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 4089850 WPKPJNLRUCFMKJ-UHFFFAOYSA-N 375.424 4.582 0 40 GJAB biogenic COc1cccc(C(=O)OCc2csc(Nc3ccc(C)cc3)n2)c1OC 4505828 FHFYNQKEZCEEJD-UHFFFAOYSA-N 384.457 4.569 0 40 GJAB COc1ccc(-c2noc(CN(C(=O)C3CCCCC3)C3CCCCC3)n2)cc1 4943575 PMLMLBJLDROYMZ-UHFFFAOYSA-N 397.519 4.987 0 40 GJAB C[C@H]1CC[C@@H](C)N(c2ncnc3c2sc2nc4c(cc23)COC(C)(C)C4)C1 4981045 QZBZBJLSWBHMRZ-QWHCGFSZSA-N 382.533 4.716 0 40 GJAB Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4cccc(Cl)c4)nnc3c2c1 5577834 UZBFZUYHJIOYDE-UHFFFAOYSA-N 397.891 4.507 0 40 GJAB C[C@]1(c2ccccc2Cl)NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 5862408 ALWMYYJPJUTOMP-QGZVFWFLSA-N 383.662 4.614 0 40 GJAB O=C(/C=C/c1ccc(Br)o1)OCc1csc(-c2ccccc2)n1 6066070 SSYXAVPKWWVOSS-VQHVLOKHSA-N 390.258 4.922 0 40 GJAB Cc1nc(SCC(=O)N(C)[C@H]2CCCc3ccccc32)c2ccccc2n1 6851438 HYVOXVWCBUIHJI-FQEVSTJZSA-N 377.513 4.566 0 40 GJAB CCCc1nnc(S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)O)[nH]1 7342286 QOVKDOGHLFENOH-KAMYIIQDSA-N 387.486 4.719 0 40 GJAB O=C(COc1ccc2ccccc2c1)NCc1ccc(CN2CCCCC2)cc1 7447785 LEUQVDVLYKLUFP-UHFFFAOYSA-N 388.511 4.521 0 40 GJAB CC[C@@H](CO)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 8326310 QUTCLDQQGRXFRC-KRWDZBQOSA-N 398.728 4.542 0 40 GJAB COc1ccc(NC(=O)c2ccc(CN(C)Cc3cccc(OC)c3)cc2)cc1 8428036 QBKAYWLCQIFEJP-UHFFFAOYSA-N 390.483 4.588 0 40 GJAB CCC[C@@H](CNC(=O)CSc1ncccn1)c1ccc(Cl)cc1Cl 8728017 IGRZFCQFNFULKH-LBPRGKRZSA-N 384.332 4.576 0 40 GJAB CC(C)n1ncc2cc(NC(=O)c3ccccc3C(=O)c3cccs3)cnc21 9076756 VTKWTQXONYBSBS-UHFFFAOYSA-N 390.468 4.557 0 40 GJAB Cc1cccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)c1 10272584 KGKCNYCWRGALPO-UHFFFAOYSA-N 392.480 4.639 0 40 GJAB CCOc1ccc2[nH]c(C(=O)N[C@@H](c3ccccc3)c3cccnc3)c(C)c2c1 12148287 FXIBWGZINCLABK-QHCPKHFHSA-N 385.467 4.789 0 40 GJAB CCN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O 12539328 UJVIGLZSXAAIHU-CQSZACIVSA-N 388.298 4.727 0 40 GJAB CC[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(Br)cc1 12776805 ITCSWNYKAWPYHU-LLVKDONJSA-N 387.071 4.686 0 40 GJAB Cc1cc(Br)ccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12786597 ZLVZCKROZYZHEF-UHFFFAOYSA-N 386.249 4.732 0 40 GJAB CCOc1ccc(OCCNC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc1 12819305 CMAXSTMDXJBSTF-QGZVFWFLSA-N 393.483 4.546 0 40 GJAB CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)cc1 12866987 GMLGIPNQMYKQRM-UHFFFAOYSA-N 384.435 4.610 0 40 GJAB O=C(CCc1ccco1)Nc1nc(-c2ccc(Br)s2)cs1 13019490 RSUXOLKUPSHIGK-UHFFFAOYSA-N 383.292 4.798 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13685434 RIEBTQISQCVLCW-SJORKVTESA-N 390.483 4.774 0 40 GJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1N1CCCC1 14779461 VSKLUGMFYNYQCN-UHFFFAOYSA-N 397.425 4.791 0 40 GJAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3nc(C)c(C)s3)c2C)cc1 15321746 JVFFQVBMPLWRDR-ZHACJKMWSA-N 380.517 4.582 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)cc1 15825529 HVOKPFSPSXXMCF-UHFFFAOYSA-N 399.903 4.518 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 16014442 UHMUVEZCDLWMMX-UHFFFAOYSA-N 388.467 4.727 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2cccs2)CC1 20612636 JGZCVFYMWNYGLK-UHFFFAOYSA-N 383.300 4.546 0 40 GJAB Cc1ccc2c(=O)cc(C(=O)N3CCC(Cc4ccccc4)CC3)oc2c1C 21148567 VBXDVQIVYDFKAI-UHFFFAOYSA-N 375.468 4.505 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c(Cl)c1 22520322 OQXNXSPYUIHOSZ-CYBMUJFWSA-N 377.893 4.944 0 40 GJAB CCOc1ccccc1N[C@H](NC(=O)c1cccs1)C(=O)c1ccc(C)cc1 27020550 UTMXIVRLPCUDLL-OAQYLSRUSA-N 394.496 4.506 0 40 GJAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C1CCCC1 32610646 CAIWJKXLPIOIOA-UHFFFAOYSA-N 382.291 4.972 0 40 GJAB Cc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)ncc1Br 32647231 PAWUOECBUFPPCI-UHFFFAOYSA-N 375.197 4.804 0 40 GJAB CC[C@@H]1CCc2sc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2C1 32967225 YNNKVBHIFRNEHZ-AEFFLSMTSA-N 386.561 4.813 0 40 GJAB C[C@@H]1CCCN(Cc2csc(NC(=O)CCc3ccc(Cl)cc3)n2)C1 36638659 IGBLQQDUEWOXKB-CQSZACIVSA-N 377.941 4.600 0 40 GJAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1ccccc1C(F)(F)F 38677323 PDVVZBOTGZGLLB-UHFFFAOYSA-N 378.394 4.575 0 40 GJAB Cc1cc(NC(=O)c2c[nH]c3ccccc3c2=O)c2ccc(Cl)c(C)c2n1 40359588 IHPALKZEXJJOGW-UHFFFAOYSA-N 377.831 4.599 0 40 GJAB CNC(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c1 46644504 QSCQQPNHXGGRTK-MRXNPFEDSA-N 384.545 4.819 0 40 GJAB COc1ccc2[nH]cc(C3=CCN([C@@H](C)C(=O)Nc4ccccc4C)CC3)c2c1 47257433 SUQRCZUDYFZDRZ-KRWDZBQOSA-N 389.499 4.601 0 40 GJAB c1ccc(-c2ccc(-c3nn4c(CN5CCCCCC5)nnc4s3)cc2)cc1 49548237 DBUOHJZIWWZIEP-UHFFFAOYSA-N 389.528 4.896 0 40 GJAB O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 59488473 CFOBPLVQNYJQOB-JTQLQIEISA-N 383.662 4.638 0 40 GJAB COc1cc(/C=C/C(=O)OCc2cccnc2Cl)cc(Cl)c1OC(C)C 65563473 YFDRHLIQLJRXDW-VOTSOKGWSA-N 396.270 4.941 0 40 GJAB CCOCCCn1c(SCc2cc(C)ccc2C)nc2ccccc2c1=O 67259154 UPAPDEPPZQSTLK-UHFFFAOYSA-N 382.529 4.732 0 40 GJAB CN(C)C(=O)Sc1ccccc1NC(=O)CCSc1ccccc1F 68314752 QZGQLPHWNZYPNX-UHFFFAOYSA-N 378.494 4.720 0 40 GJAB Cc1c(COC(C)C)cccc1NC(=O)CCc1nnc(-c2ccccc2)o1 72296716 JYHQBVFCGYUOFB-UHFFFAOYSA-N 379.460 4.541 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccncc2)C12CCCCC2 79464254 XJZMFYHIRLPWPM-DYESRHJHSA-N 391.515 4.761 0 40 GJAB O=C(CCSc1ccccc1)NCc1ccc(C(=O)c2ccccc2)s1 96119870 SBTKHUMUPMEUHO-UHFFFAOYSA-N 381.522 4.778 0 40 GJAB O=c1c(C2=NCCCCC2)c2[nH]c(-c3ccc(F)cc3)cn2n1-c1ccccc1 102613184 LNRIKPZDKJDWED-UHFFFAOYSA-N 388.446 4.588 0 40 GJAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 107753276 QKUQPBJRLUMJDA-UHFFFAOYSA-N 384.520 4.618 0 40 GJAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1 216954437 NIHDYPBJXKPADZ-UHFFFAOYSA-N 385.419 4.915 0 40 GJAB COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223350939 VNSNWKYWFLTFHN-DLBZAZTESA-N 385.504 4.780 0 40 GJAB COc1ccc(NC(=S)NCCSCc2ccccc2C)c2cccnc12 225363205 JYWONNMKYVBCLU-UHFFFAOYSA-N 397.569 4.772 0 40 GJAB CCCOc1ccccc1CCCNC(=O)Cc1cccc(Br)c1 225620959 UUYYFWFYBVDICD-UHFFFAOYSA-N 390.321 4.529 0 40 GJAB O=C1CC2(CCN(C(=O)Nc3ccccc3)CC2)Oc2c1ccc1ccccc21 225825101 QDUHQMSFSJGBSU-UHFFFAOYSA-N 386.451 4.872 0 40 GJAB NC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccc2)CC1 257209917 BSKPGHOBBDFDBN-UHFFFAOYSA-N 384.523 4.664 0 40 GJAB O=C(c1ccccn1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257278894 OECIJPGRQGUDGF-IBGZPJMESA-N 381.863 4.681 0 40 GJAB CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC 408556773 KKJJASSUWFYHEP-LJQANCHMSA-N 377.893 4.916 0 40 GJAB CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 408881484 MNUHMPCYZOYKNW-WQRHYEAKSA-N 398.459 4.624 0 40 GJAB Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ncccc3C)cs2)cc1 585273527 QJKVMHUDACWFAD-FQEVSTJZSA-N 392.528 4.744 0 40 GJAB Cc1nc(C)c(CN2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)s1 2087045451 YSXLAYAJJKLBMM-UHFFFAOYSA-N 378.545 4.960 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)cc1 903042 CJKQVMWUOZVJTE-UHFFFAOYSA-N 376.485 4.539 0 40 GJAB O=C1N(c2ccc(Cl)cc2)[C@H](c2ccc(Br)cc2)N2CCCN12 1253396 DYNNNGDDZMNSKN-MRXNPFEDSA-N 392.684 4.664 0 40 GJAB CCc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1 1332514 XZGBPAFRQZPZIM-UHFFFAOYSA-N 391.418 4.942 0 40 GJAB O=C(N[C@H](Nc1cccc2ccccc12)C(=O)c1ccccc1)c1cccs1 1452568 FSQVOTMEDWENOI-QFIPXVFZSA-N 386.476 4.952 0 40 GJAB Cc1c(Cl)cccc1NC1=C(Cl)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1786159 CQQWWNUCWHMJQQ-UHFFFAOYSA-N 395.673 4.733 0 40 GJAB COP(=O)(OC)c1nc(-c2cccc3ccccc23)oc1N1CCCCC1 2908135 LBCZSJPUOWSJJS-UHFFFAOYSA-N 386.388 4.596 0 40 GJAB Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816596 UJKPDXJMGINFQU-RTWAWAEBSA-N 392.478 4.839 0 40 GJAB CCC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 4816605 VMMMUFRJDBQJJE-MSOLQXFVSA-N 384.842 4.548 0 40 GJAB O=C(CSCCOc1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 6787453 PYZGCHAEWNPAMJ-LJQANCHMSA-N 375.921 4.646 0 40 GJAB CCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccccc1Cl 7263355 BSIKKXIUKTUBHD-UHFFFAOYSA-N 392.290 4.581 0 40 GJAB COc1cccc(CCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c1OC 7734945 YLDNAPYTHCLNNZ-XMMPIXPASA-N 389.495 4.851 0 40 GJAB COC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1Cl 8224133 HIBVISPJKWCSMY-SNVBAGLBSA-N 384.284 4.899 0 40 GJAB Cc1cc(C)n(CCCNCc2cn(Cc3ccccc3)nc2-c2ccccc2)n1 8315137 YSHCTDKNLUONCP-UHFFFAOYSA-N 399.542 4.592 0 40 GJAB CCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1F 8339105 KABUWNPNQYVQAV-UHFFFAOYSA-N 392.887 4.618 0 40 GJAB COc1ccc(-n2ccnc2S[C@H](C)c2nnc(-c3ccccc3)o2)cc1 8725358 RZYXUAMLLUOHMX-CQSZACIVSA-N 378.457 4.784 0 40 GJAB C[C@@H](Sc1nc2ccccc2o1)C(=O)N1CCC(Cc2ccccc2)CC1 10141068 URLFRYASOJJQLP-MRXNPFEDSA-N 380.513 4.790 0 40 GJAB Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC(C)CC3)c2c1 12437815 JZBHOSXQCSDXJD-UHFFFAOYSA-N 380.513 4.612 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC(C)CC2)cc1C 12437926 CPBFZGWTFKOQHS-UHFFFAOYSA-N 394.540 4.921 0 40 GJAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2ccccc2o1 12482006 ZKRYHEKGNXOKDO-UHFFFAOYSA-N 391.254 4.840 0 40 GJAB Cc1c(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)oc2c(Cl)cccc12 12574957 QBRYHSSSJLZRGH-QGZVFWFLSA-N 397.837 4.787 0 40 GJAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1C(C)C 12575461 LKXKKQVQXYVZGQ-GOSISDBHSA-N 377.488 4.560 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)cc1 12798948 JHXZHFNBWITRFM-IERDGZPVSA-N 392.524 4.659 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 12821246 RAOSXUHPDNCDSA-UHFFFAOYSA-N 382.548 4.780 0 40 GJAB Cc1c(NC(=O)C[C@H]2C=CCC2)cccc1C(=O)N1CCc2sccc2C1 13015027 BMUXKQIRBZGXOE-INIZCTEOSA-N 380.513 4.550 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)NCCC3=CCCCC3)s2)c1 13137793 VXFAVKNIODTNOW-UHFFFAOYSA-N 388.562 4.689 0 40 GJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccccc1Cl 13770976 OEIJFUAVVLJDAF-RZFNWQHOSA-N 399.918 4.857 0 40 GJAB CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)/C=C/c1ccccc1Cl 13957801 UIMOYKBSWHTXLV-OUKQBFOZSA-N 381.863 4.840 0 40 GJAB COc1ccc(OC)c(NC(=O)CN[C@H](C)c2ccc(-c3ccccc3)cc2)c1 14165313 SLUVGFWTALKKAM-QGZVFWFLSA-N 390.483 4.660 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2c(C)cccc2C)cc1OC 15992420 JNSOIOPSPOAOCI-UHFFFAOYSA-N 378.266 4.726 0 40 GJAB CCc1cc(I)ccc1NC(=O)/C=C/c1ccccc1 16161220 NAFUXLNWPCEXHF-DHZHZOJOSA-N 377.225 4.506 0 40 GJAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 17856936 XBPOEYVBRMPMEA-DDBVPJQNSA-N 393.486 4.740 0 40 GJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccccc4)cc3n2)cc1 20611219 QBHKYXICNROOGG-SDNWHVSQSA-N 382.467 4.943 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc3nc(CC)sc3c2)cc1Cl 22255205 APMMVWKUQGCQHB-UHFFFAOYSA-N 396.921 4.712 0 40 GJAB C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCCCO2 32282103 DQSCUDRJIRFQFF-CQSZACIVSA-N 381.403 4.738 0 40 GJAB Brc1ccc(-c2nnc3n2N=C(C2CCCCC2)CS3)cc1 32604240 OHRYDGPACOWUNJ-UHFFFAOYSA-N 377.311 4.598 0 40 GJAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 32754232 USQWZABXWJHLHL-JDZKTDJGSA-N 399.556 4.620 0 40 GJAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccc3c2CCCC3)cc1 35289377 RTRCVZQRLAPWSB-OAQYLSRUSA-N 377.488 4.509 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccccc2F)CC1 39755939 LIDUVQVNABMZQB-UHFFFAOYSA-N 380.385 4.695 0 40 GJAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(F)cc1F 40128450 BUDJNMNZAICLFV-UHFFFAOYSA-N 375.806 4.602 0 40 GJAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(C)c1C 41076929 PLDCWSKNTQNEQO-UHFFFAOYSA-N 377.488 4.816 0 40 GJAB Cc1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1C(=O)N1CCCC1 58278253 DOQYEZLWCBRZCN-UHFFFAOYSA-N 375.472 4.581 0 40 GJAB CC(C)(C)N1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 63726624 QQSSQYJIRVRIBC-UHFFFAOYSA-N 396.375 4.671 0 40 GJAB O=c1c2sccc2nc(SCc2ccccc2)n1Cc1ccccc1F 67259881 VACVVSZZUSAGQF-UHFFFAOYSA-N 382.485 4.938 0 40 GJAB Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccc4ncccc4c3)n2)nc1 72377987 CQCXVNYCFQAMPK-JOCHJYFZSA-N 396.498 4.809 0 40 GJAB Cc1cc(C(=O)N2CCCCC[C@H]2c2cccn2C)c(C)n1Cc1ccco1 84080237 PDFLPFJMIQYMIS-QFIPXVFZSA-N 379.504 4.842 0 40 GJAB CCOc1ccc(C(=O)N2CCC(CSc3ccc(OC)cc3)CC2)cc1 90608249 LZNPGONUSWNESQ-UHFFFAOYSA-N 385.529 4.738 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 219291592 QRPNRDYDINMJHU-MRXNPFEDSA-N 375.896 4.645 0 40 GJAB O=C(NCCNc1ccnc2cc(Cl)ccc12)c1cccc(C(F)(F)F)c1 222964743 NBZOQJUHIDUOPT-UHFFFAOYSA-N 393.796 4.749 0 40 GJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(OC)c(OC)c1 223076668 NOKRHJAFMSLILG-KKSFZXQISA-N 397.515 4.617 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCOc1cccc2ccccc12 223571359 XLZHQDWODHBAEV-OAQYLSRUSA-N 377.484 4.809 0 40 GJAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1 223784074 QQFNAAPYIMWVBO-VQTJNVASSA-N 379.485 4.559 0 40 GJAB Cc1ccc(C)c(OCCNC(=O)CSCc2c(F)cccc2Cl)c1 223981921 DBKFLKMBEZOJPB-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccc(C)c(Cl)c1 224184194 LFJJBJJLIYUZQB-IBGZPJMESA-N 375.896 4.618 0 40 GJAB CCc1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 224620285 FDHRZDDGVUNQLH-UHFFFAOYSA-N 388.316 4.780 0 40 GJAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)CC1 224921879 SDPUIAMDCXQTEL-UHFFFAOYSA-N 377.532 4.771 0 40 GJAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cccc(N2CCCC2=O)c1 225338764 KBUJLROUIRKUMO-UHFFFAOYSA-N 377.271 4.692 0 40 GJAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCCCC2)c1 225539568 DJOMYOCQISPMRG-UHFFFAOYSA-N 380.532 4.776 0 40 GJAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(Br)cc1 225634639 ZLVDJIZLAOFBTF-ZDUSSCGKSA-N 379.323 4.511 0 40 GJAB Cc1ccccc1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225803041 VYJKQCAJXGFYSJ-UHFFFAOYSA-N 375.350 4.635 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(OC)CCCCCC2)ccc1O[C@H](C)CC 225806376 OPOFKFSHXYHNKA-MRXNPFEDSA-N 391.508 4.719 0 40 GJAB Fc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1Cl 225820714 YGHADXKCPBBJOQ-UHFFFAOYSA-N 397.262 4.669 0 40 GJAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc2sc(N)nc12 226311847 JUIRVJJCZPVLFL-SECBINFHSA-N 396.299 4.900 0 40 GJAB COc1ccccc1CN1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 306143766 YLPVDBCYBDUFHH-OAQYLSRUSA-N 384.483 4.742 0 40 GJAB CCOc1ccc(-c2ccc(OC(=O)c3cccc(Br)c3)nn2)cc1 408529792 ORNQONMZVRDWLX-UHFFFAOYSA-N 399.244 4.524 0 40 GJAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccnc4Cl)cc3n2)cc1Cl 408619976 FLTHUYAREXKNJI-UHFFFAOYSA-N 398.253 4.683 0 40 GJAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 408971758 QAZLMOCBAJFNMH-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB COc1ccc(-c2nnc(NC(=O)c3ccc(OCC(C)C)cc3)s2)cc1 526052438 OKRJVBUGKKOTFH-UHFFFAOYSA-N 383.473 4.501 0 40 GJAB Clc1cnc2nc(C3CCN(c4cnc5ccccc5n4)CC3)ccc2c1 1888930615 CGLRVGQJVLXXCX-UHFFFAOYSA-N 375.863 4.610 0 40 GJAB CCN(CC)c1ccc(NC(=O)COc2ccc(Br)cc2C)cc1 674979 UCUCQZPFXUGYJZ-UHFFFAOYSA-N 391.309 4.621 0 40 GJAB COc1cc(NC(=O)/C=C/c2ccco2)ccc1-c1cc2ccccc2oc1=O 1104852 LAHYDGZTNAJIBW-PKNBQFBNSA-N 387.391 4.714 0 40 GJAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1 1380174 DVWAFBIUNVTQKX-QFIPXVFZSA-N 394.515 4.773 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 2050792 CNUKKWOKSIBWFN-UHFFFAOYSA-N 386.455 4.770 0 40 GJAB CC(=O)c1cccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1 3274911 LXBGORRWSFNOQX-UHFFFAOYSA-N 388.798 4.687 0 40 GJAB CCCN(CC1CC1)C(=O)COC(=O)c1oc2c(ccc3ccccc32)c1C 3352158 QWTADRJKICMMPE-UHFFFAOYSA-N 379.456 4.700 0 40 GJAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 4696175 PEFGZLIUVPENTO-UHFFFAOYSA-N 380.256 4.676 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccc(Cl)c1 4784027 DETRJTPDYSZWOX-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(OC)c4)sc3n2)cc1 4931008 XOYQEFYYGYSBOR-UHFFFAOYSA-N 393.468 4.641 0 40 GJAB CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3cccs3)=NN12 5092361 OVALAEWTXRWALK-GOSISDBHSA-N 397.544 4.502 0 40 GJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc21 5136348 WOPKPEYUSSBJFL-UHFFFAOYSA-N 390.405 4.893 0 40 GJAB O=C(N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 5165612 GCJCQNYPUQLBAL-AWEZNQCLSA-N 379.070 4.845 0 40 GJAB COc1ccc(-c2c(NC(=O)c3ccco3)sc3ccccc3c2=O)cc1 5324084 NEYGKUHRJUVPFD-UHFFFAOYSA-N 377.421 4.782 0 40 GJAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(C)c(N2CCCC2=O)c1 5440662 OUXGEDGAGFTKMK-UHFFFAOYSA-N 388.467 4.926 0 40 GJAB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(C)cc1 5587912 NLUPTMFXFJJCCP-XMMPIXPASA-N 399.450 4.652 0 40 GJAB CCN1C(=O)/C(=C\c2cn(C)c3ccccc23)S/C1=N/c1ccc(OC)cc1 6630289 DHYGTYCXOPRCLD-SAPPFYIZSA-N 391.496 4.811 0 40 GJAB CCN1C(=O)S[C@H](Cc2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 6952940 QGCXODFBRJNNEZ-QGZVFWFLSA-N 375.877 4.545 0 40 GJAB C[C@H](NC(=O)CSc1ccc2c(c1)OCCCO2)c1cccc2ccccc12 7021729 VFQWYCPLANDMQH-INIZCTEOSA-N 393.508 4.971 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 7670796 FGJUYSPTSSIOBG-UHFFFAOYSA-N 376.437 4.670 0 40 GJAB Cc1cccc(-c2noc(CN(C)C(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)c1 7759035 NTDCHRPSJHIBML-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Br)c(C)c1 7951877 JTEVZOQPKCTABB-IBGZPJMESA-N 399.288 4.660 0 40 GJAB C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(F)cc1F 8095071 DHLNLOCIVPTRLT-GFCCVEGCSA-N 376.403 4.803 0 40 GJAB CCN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1cccs1 8328821 JFNRFRMIYDSJSQ-UHFFFAOYSA-N 386.517 4.640 0 40 GJAB Cc1cc(C)n(-c2nc(C)c(Br)c(N[C@@H](C)c3ccccc3)n2)n1 9418663 JVOSJRHGKDOFCR-ZDUSSCGKSA-N 386.297 4.523 0 40 GJAB COc1ccc(SCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 10219190 ZTDFECBUPVATIF-UHFFFAOYSA-N 389.480 4.969 0 40 GJAB O=C(c1c(F)cccc1F)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254597 BHZGRAXSBHYUNT-UHFFFAOYSA-N 378.806 4.871 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2nc3ccccc3o2)CC1 11914661 PYNHZVONYGRRDQ-SFHVURJKSA-N 382.435 4.531 0 40 GJAB C[C@H](Nc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 12419349 BGHREPMDGHNIRG-HNNXBMFYSA-N 394.452 4.941 0 40 GJAB O=C(NCCc1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12772183 PSLUEBCKBYDGKG-MQVJKMGUSA-N 381.994 4.611 0 40 GJAB CCc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 12791051 CRCWSMCEYMSYQP-ROUUACIJSA-N 394.515 4.670 0 40 GJAB COc1ccc(CN(Cn2nc(-c3ccc(C)cc3)n(C)c2=S)C2CC2)cc1 12852750 DAXJHOJRPNPSKE-UHFFFAOYSA-N 394.544 4.557 0 40 GJAB CCc1ccc([C@H](NC(=O)c2ccc(C(=O)OC)cc2)c2cccc(F)c2)cc1 12912702 ZQANIGWMEMGCJB-QFIPXVFZSA-N 391.442 4.694 0 40 GJAB C[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)[C@@H](O)c1ccc(O)cc1 12913303 XOVOKWMGJCUAOS-BFUOFWGJSA-N 377.469 4.598 0 40 GJAB CC(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13632802 ROEAEAXDPMDETL-UHFFFAOYSA-N 397.544 4.705 0 40 GJAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1cccc(F)c1 13758762 BCKNYLRTWVRYAH-KIFXHHALSA-N 397.490 4.733 0 40 GJAB O=C(/C=C/c1ccccc1)N1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1 13815758 RXXURPGSOGAPJQ-XZQXHBLFSA-N 379.475 4.734 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(F)cc1 14081563 LCORQSABQSLUPS-UHFFFAOYSA-N 398.507 4.958 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(CC)cc2)cc(Br)c1OC 15080383 JZCUGOIOICFMIA-UHFFFAOYSA-N 378.266 4.671 0 40 GJAB COc1ccc(-c2csc(-c3nnn(-c4cccc(F)c4)c3C)n2)cc1OC 16991768 DFYQUNFTSTXWEF-UHFFFAOYSA-N 396.447 4.523 0 40 GJAB O=C(COc1ccc(F)c(Cl)c1)N[C@H](c1ccc(F)cc1)c1cccs1 18221205 ZJSQIKCWBUFNEF-LJQANCHMSA-N 393.842 4.964 0 40 GJAB CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccccc1Cl 19928247 VXHBNGLEBRXIBU-UHFFFAOYSA-N 397.891 4.961 0 40 GJAB COc1cccc(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)c1 22072324 QZCJODQNRVRYFP-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB COc1ccc(-c2csc3c(=O)n(Cc4ccccc4Cl)cnc23)cc1 23126647 LRLLLICYRZFPRQ-UHFFFAOYSA-N 382.872 4.835 0 40 GJAB CCN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 25288634 NMJGEEYTJPZRCL-UHFFFAOYSA-N 377.469 4.922 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)C12CC3CC(CC(C3)C1)C2 27662480 DHCXDGKSHZTKOB-QSVDNLTKSA-N 386.605 4.998 0 40 GJAB COc1cccc(Cn2cc(NC(=O)c3cc(SC)ccc3Cl)cn2)c1 28220695 KEVNIZLWSMKNGU-UHFFFAOYSA-N 387.892 4.568 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 28831345 BHWINPJBILJURB-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB Cc1ccccc1CN1CCCN(C(=O)c2csc(-c3cccs3)n2)CC1 31765994 WVAFIEYDNXWCFV-UHFFFAOYSA-N 397.569 4.528 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)cc1 33290457 QQHNJOSLTWIQIF-MRXNPFEDSA-N 386.455 4.540 0 40 GJAB COc1cc(-c2nc3cnccn3c2Nc2cccc(Cl)c2C)ccc1O 35622630 CMLQBNUIGZQMAU-UHFFFAOYSA-N 380.835 4.816 0 40 GJAB O=c1c2cnc3c(-c4ccc(F)cc4)cnn3c2ccn1CCC1=CCCCC1 40396574 OIFXGWFCYVMYQO-UHFFFAOYSA-N 388.446 4.741 0 40 GJAB COc1ccccc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 57317012 WVOWDZAMVZVTKC-UHFFFAOYSA-N 386.245 4.648 0 40 GJAB O=C(Nc1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)s1)c1ccco1 58325079 WJFIEJQRBZJLEJ-UHFFFAOYSA-N 398.459 4.932 0 40 GJAB Fc1ccc(Nc2ncnc3sc4c(c23)CCN(c2cccc(F)n2)C4)cc1 63112870 CKUQYNVPOGLOPJ-UHFFFAOYSA-N 395.438 4.671 0 40 GJAB COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 70013178 OWQVHNQAXLZHSI-GJZGRUSLSA-N 388.439 4.576 0 40 GJAB CCOC(=O)[C@@H](Cc1ccccc1)c1nc(C(C)(C)C)nn1Cc1ccccc1 72233842 PJGADXGPCFLXRK-FQEVSTJZSA-N 391.515 4.513 0 40 GJAB COc1ccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)c2)cc1 72353932 NAOKXVSSCNFBRL-JOCHJYFZSA-N 392.543 4.886 0 40 GJAB Cc1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)c(C)n1CC(F)(F)F 84079604 GGTHBEGMUPKDJR-SFHVURJKSA-N 379.426 4.820 0 40 GJAB O=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1CN1CCc2ccccc21 95959814 RKIFDSVDSHPTLF-VWLOTQADSA-N 398.506 4.892 0 40 GJAB CCN(C)C(=O)c1cnc(-c2noc3cc(NCc4ccccc4)ccc23)s1 96266599 CPTBUJFTVHTGLQ-UHFFFAOYSA-N 392.484 4.655 0 40 GJAB CC(C)(C)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=S)Nc1ccc(Cl)cc1 100426977 GMZVTKRTZFIFLE-IAGOWNOFSA-N 393.984 4.585 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(O)cc2)C[C@H](c2cccc(Cl)c2)C1 102677048 NXIMKWOUYDXZFQ-XOBRGWDASA-N 392.846 4.702 0 40 GJAB CCCOc1ccccc1CCCNC(=O)COc1ccccc1C(C)(C)C 222800413 LWPOWMAPYMENGD-UHFFFAOYSA-N 383.532 4.901 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222907852 UGEJPYWOGYAUDG-FQEVSTJZSA-N 383.488 4.957 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 223860551 BEAOIXWMIOLTMI-JKSUJKDBSA-N 385.504 4.646 0 40 GJAB CC(C)C[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 225494791 BPAXJVZTKQJHNW-FQEVSTJZSA-N 381.545 4.887 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225739005 JYDGQGQVXFKNSH-QFIPXVFZSA-N 378.557 4.721 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1C(C)C 225783108 MASIYNCBINZCRV-QGZVFWFLSA-N 375.534 4.783 0 40 GJAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cccc(Cl)c1 225803525 JNRCOHFFEVGHPJ-UHFFFAOYSA-N 395.768 4.980 0 40 GJAB COC(=O)c1c(C)n(C(=O)c2cc(Cl)cc(Cl)c2OC)c2ccccc12 226367404 NIJQWGZTJZRHMX-UHFFFAOYSA-N 392.238 4.740 0 40 GJAB Cc1noc(C)c1-c1cccc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 257323293 WJNLWFUEFHCUNW-KRWDZBQOSA-N 379.435 4.512 0 40 GJAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(CCCc3ccccc3)C2)no1 257335683 YLJUVGVGDQPOKK-HXUWFJFHSA-N 395.547 4.549 0 40 GJAB CCOC(=O)c1cc(OC(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccccc2)n1 408528906 MATNGXFVJOOZAE-UHFFFAOYSA-N 392.455 4.566 0 40 GJAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccccc2C)c1 408695861 UDNWQGZTABLROQ-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CCc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1 409153564 DGKQCZVNXDGSRQ-UHFFFAOYSA-N 397.500 4.559 0 40 GJAB CC(C)c1csc([C@H]2CCCN(Cc3ccc(C(=O)O)c(Cl)c3)C2)n1 573499851 YCAJVMUYZQBWML-AWEZNQCLSA-N 378.925 4.998 0 40 GJAB O=C(c1cccc2nc(O)oc12)N(Cc1ccccc1C(F)(F)F)CC1CC1 585082214 GDUKDKBVEPSNHG-UHFFFAOYSA-N 390.361 4.605 0 40 GJAB Cc1cc(Cl)c(NC(=O)N[C@H]2CCO[C@@H](c3cccnc3)C2)cc1Cl 652750738 FJLYWSVQASYZBJ-SUMWQHHRSA-N 380.275 4.739 0 40 GJAB Cc1cccc(Oc2ccccc2C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 685048868 OOSROTSOWKBDBJ-VWLOTQADSA-N 398.462 4.523 0 40 GJAB CC1(C)CCc2ccccc2[C@@H](NC(=O)NCc2cnc(O)c3ccccc23)C1 1251127494 GIJGZJMEKQZPKD-NRFANRHFSA-N 389.499 4.843 0 40 GJAB Cc1c(C(=O)N2C[C@H](C(C)C)c3ccccc32)cnn1-c1ccc(F)cc1F 1586550499 QUEKEGHXFOYJMM-GOSISDBHSA-N 381.426 4.859 0 40 GJAB CCn1nc(C)cc1C(=O)Nc1nc2cccc(Cl)c2n1Cc1ccccc1 1616022289 UTICNCMFWAJNOI-UHFFFAOYSA-N 393.878 4.515 0 40 GJAB Cc1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 2186984 LVULSZKYKCWUMQ-FQEVSTJZSA-N 393.487 4.551 0 40 GJAB biogenic,in-vitro CCCCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1OC 2224667 FQRILWIHXUYUCP-UHFFFAOYSA-N 383.473 4.507 0 40 GJAB Cc1ccc(SCCNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)cc1C 2631342 ZXTPNQDBDNRENY-PXNSSMCTSA-N 393.980 4.777 0 40 GJAB CCOc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)cc2)cc1 2806534 JADPHIKHTCDHRH-UHFFFAOYSA-N 396.450 4.922 0 40 GJAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c1C 3370695 AQFGBWWCCWSEKS-XLIONFOSSA-N 394.515 4.899 0 40 GJAB CCOC(=O)[C@@H](OP(=O)(OCCC(C)C)OCCC(C)C)C(F)(F)F 4277128 BLUACNZPEWBLFO-CYBMUJFWSA-N 392.351 4.731 0 40 GJAB O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc(Cl)c1 5084100 DAHKEFYWXOMMRL-UHFFFAOYSA-N 389.889 4.517 0 40 GJAB Cc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(CCC2=CCCCC2)c1C 5196592 BBCNVKFYTQGJDG-UHFFFAOYSA-N 384.476 4.640 0 40 GJAB COc1ccc(C(=O)Nc2c(-c3ccc(C)cc3)c(=O)c3ccccc3n2C)cc1 5246858 JSIFLQPXTKQEGJ-UHFFFAOYSA-N 398.462 4.775 0 40 GJAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1cccs1 5500903 RPGASFVGBMBKCI-WEYGHZABSA-N 385.529 4.655 0 40 GJAB O=C(NC(=S)Nc1cccc2ccccc12)c1ccc(Br)cc1 5572534 YAGIWMBHCPXGFO-UHFFFAOYSA-N 385.286 4.729 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1 6233932 FMQCUNKZQZWXRF-SFHVURJKSA-N 393.487 4.558 0 40 GJAB Cc1ccc(CSc2nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o2)cc1 6300191 VAVPTWNEVASLAL-OAHLLOKOSA-N 377.510 4.892 0 40 GJAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2c(OC)ccc4ccccc24)N3)C1 6349166 UDYFYICYQZRBLQ-HXUWFJFHSA-N 393.512 4.717 0 40 GJAB O=C(OCCOc1ccc(Cl)cc1)c1csc(NCc2ccccc2)n1 6363062 CAZDFDVQUJZGTB-UHFFFAOYSA-N 388.876 4.644 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 6468277 GZLLUFUUOFHFEG-JKIFEVAISA-N 398.532 4.602 0 40 GJAB COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 6623859 KIYBNXNPEWNGSB-UHFFFAOYSA-N 391.423 4.654 0 40 GJAB biogenic COC(=O)c1c(NC(=S)N[C@@H](C)c2ccc(C)cc2)sc2c1CCCC2 6845877 PQSYTNFKMJHHOA-ZDUSSCGKSA-N 388.558 4.770 0 40 GJAB CCc1ccc(-c2noc(CN3CCC[C@@H]3c3cc(OC)ccc3OC)n2)cc1 7718690 NDSLCVGAUCLPLO-HXUWFJFHSA-N 393.487 4.653 0 40 GJAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)n1CC 7724137 NNHIRUOMYZBMFI-UHFFFAOYSA-N 380.517 4.567 0 40 GJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 7882114 QYOHMWQUGXFKGK-OCCSQVGLSA-N 377.271 4.542 0 40 GJAB O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@H](c2nc3ccccc3s2)C1 8071922 QDAPSQIQPGOYIC-RUMSDORHSA-N 389.480 4.857 0 40 GJAB Cc1ccc(Nc2nc(CSc3nc(CC(=O)O)cs3)cs2)cc1 8727247 VEIAFXXAHRINIS-UHFFFAOYSA-N 377.516 4.571 0 40 GJAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C(C)C)cccc3s2)no1 9207027 NNBLHYIRHNUAJV-AWEZNQCLSA-N 385.489 4.542 0 40 GJAB O[C@@H](CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 9968079 XAHQSBAPGTTWEJ-FQEVSTJZSA-N 391.471 4.899 0 40 GJAB COc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 10663202 SKXYPLHMGKQZRX-FDDCHVKYSA-N 375.468 4.677 0 40 GJAB COc1cccc([C@H](CNC(=O)Nc2cccc3ccccc23)N2CCCC2)c1 11004912 YZWFVZJFYVUKEA-QHCPKHFHSA-N 389.499 4.807 0 40 GJAB CCc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12927076 BJUJZLBQMYYBCS-HSZRJFAPSA-N 376.525 4.897 0 40 GJAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 14404451 BIJJITDTFQESRQ-UHFFFAOYSA-N 398.466 4.613 0 40 GJAB CC(C)n1nc(C(=O)Oc2ccc(Cl)cc2Cl)c2ccccc2c1=O 14471447 RKBDBYHBZFDJHY-UHFFFAOYSA-N 377.227 4.503 0 40 GJAB COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757554 JYZSNMAXSCIODQ-OAHLLOKOSA-N 389.480 4.741 0 40 GJAB CN(Cc1ccc2ncccc2c1)C(=O)CC1CCN(C2CCCCC2)CC1 19748267 JHOUHGRKGZLWOE-UHFFFAOYSA-N 379.548 4.628 0 40 GJAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(Cc1ccc(F)cc1)C3 20394697 VFFTVSUTIWLKRV-UHFFFAOYSA-N 399.849 4.816 0 40 GJAB O=C(NCc1ccccc1CN1CCCC1)C1c2ccccc2Oc2ccccc21 21962382 SIUDRSKIFIOXLT-UHFFFAOYSA-N 398.506 4.836 0 40 GJAB Cc1ccn(C(=O)c2nc(-c3ccccc3)oc2C)/c(=N/C2CCCCC2)c1 23199321 JDPNLMRNLOFDJU-HIXSDJFHSA-N 375.472 4.682 0 40 GJAB CCn1cc(Cl)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 28222880 PRUDIWWVHJMHLC-UHFFFAOYSA-N 385.695 4.846 0 40 GJAB COc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCCCC1 28291856 OWYDALCVFBEIOZ-QFIPXVFZSA-N 380.532 4.776 0 40 GJAB Cc1cc(C)c(NC(=O)CSCc2nc(-c3ccccc3C)no2)c(C)c1 31422993 TVVJNWCZUGYOJV-UHFFFAOYSA-N 381.501 4.842 0 40 GJAB COc1cc(OC)cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c1 32772711 UALUDGGYKSDHNY-GOSISDBHSA-N 382.485 4.681 0 40 GJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)N1CCC(c2ccccc2)=N1 32777570 YZXOBVDTURDGNH-AWEZNQCLSA-N 390.314 4.623 0 40 GJAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCc4nnc(-c5ccccc5)o4)cc3c2C1 32945334 SYKSUYZBYHJYIS-CQSZACIVSA-N 387.439 4.700 0 40 GJAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCCOc2ccc(F)cc2)o1 32945457 RFMYWHIUZZYXOO-LBPRGKRZSA-N 378.400 4.659 0 40 GJAB N=C1NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2F)S1 33419962 AOFKKCOCFILVMG-MKMNVTDBSA-N 397.258 4.850 0 40 GJAB CC(C)Sc1ccc(CC(=O)NCC2(c3ccccc3)CCOCC2)cc1 38591918 OBADMUCWYWVRQB-UHFFFAOYSA-N 383.557 4.594 0 40 GJAB CC(C)(C)[C@@H](NCC(=O)Nc1ccccc1Br)c1ccccc1 40155739 WNIYJHMLXVHDLJ-SFHVURJKSA-N 375.310 4.765 0 40 GJAB Cc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(F)cc1 40396940 GJOMBTFBYPMELW-KUHUBIRLSA-N 390.462 4.910 0 40 GJAB CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1cc2ccccc2cc1OC 45890576 UZJCZDQVJBNULU-UHFFFAOYSA-N 393.512 4.627 0 40 GJAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)N1CCc2sccc2C1 58251470 ABGCNSAUKRYDPV-UHFFFAOYSA-N 392.406 4.543 0 40 GJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NC[C@@H]1CC=CCC1 69240121 STKZSCPWSGKGPY-RTBURBONSA-N 391.515 4.998 0 40 GJAB Cc1ccc(C2=NN(C(=O)CSc3ccc(O)cc3)[C@H](c3ccco3)C2)cc1 71942974 MYVLXPXPLWLLBB-FQEVSTJZSA-N 392.480 4.764 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c1 72230030 WZKVAPVVHRVSJG-QFIPXVFZSA-N 381.859 4.748 0 40 GJAB FC(F)(F)c1cccc(-c2noc([C@H]3CCN(Cc4ccsc4)C3)n2)c1 72369974 CANPQIBYXQVHND-AWEZNQCLSA-N 379.407 4.806 0 40 GJAB O=C(Nc1ccc2sccc2c1)N1CCCN(C(=O)Oc2ccccc2)CC1 95959310 ICDMIUVQLOZDFF-UHFFFAOYSA-N 395.484 4.640 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 96117379 WNQSFVXABGVYMO-NRFANRHFSA-N 375.447 4.915 0 40 GJAB CC(=O)c1cccc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)c1 102725351 FMZIZDZGXVNYHC-UHFFFAOYSA-N 375.453 4.779 0 40 GJAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 111212660 SFLHWONXWPWOJN-LBPRGKRZSA-N 388.316 4.573 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 223165135 OVMCHTDINGGJRT-QFIPXVFZSA-N 394.559 4.568 0 40 GJAB COc1cccc(O[C@H](C)C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c1 223342948 CNCIZORPHNVTGY-IAGOWNOFSA-N 385.504 4.780 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(OC)c(C)c2)cc1OCC 223511503 APWIBGVEHDUVBT-QGZVFWFLSA-N 385.504 4.611 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 224644262 QGHGCPJSWBURCO-UHFFFAOYSA-N 381.472 4.540 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc4ccccc4c3)ccc21 225102942 NOOHDAKSPJKDRF-AWEZNQCLSA-N 392.480 4.642 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCC1(CC1)CO2 225368045 IUAWWGMCMHPJLP-UHFFFAOYSA-N 385.463 4.757 0 40 GJAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)COC)c(Cl)c2)CCCCC1 225658619 DXKGKSVAZFMNJH-OAHLLOKOSA-N 383.916 4.822 0 40 GJAB CCOCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1 225696708 FQHIOQRWAQDTCO-UHFFFAOYSA-N 379.541 4.908 0 40 GJAB Cc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1N1CCCC1=O 225869898 NUCGGLITJFTISL-UHFFFAOYSA-N 393.556 4.878 0 40 GJAB Cc1cc(C)nc(Nc2ccccc2C(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 225916751 GJUDKCQJXHGGFA-HNNXBMFYSA-N 380.879 4.981 0 40 GJAB COC(=O)/C=C/c1cc(Br)c(OCc2ccccc2C)c(OC)c1 226335313 ZIVSGLZNYVGJKU-CMDGGOBGSA-N 391.261 4.531 0 40 GJAB CCCOc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 408622730 REXNYCJGGVDMHP-UHFFFAOYSA-N 388.467 4.909 0 40 GJAB Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 408730872 JTOTUZVCLMHZPH-DDBVPJQNSA-N 393.486 4.740 0 40 GJAB CCCN1C(=O)S/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)C1=O 409381984 JNQSIXVAJTYBMO-QCDXTXTGSA-N 384.240 4.546 0 40 GJAB O=C(Nc1cc(-c2ccccc2F)on1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 1217068359 QZTYAHVVPDUTQL-YLJYHZDGSA-N 399.397 4.662 0 40 GJAB COCC(=O)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2nc1Cl 1367597 JTLVWKUWXMSZJS-UHFFFAOYSA-N 386.854 4.511 0 40 GJAB CCOc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 1368625 CYLXYPXMRXCLCA-VXKWHMMOSA-N 393.531 4.793 0 40 GJAB Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4Cl)nc3C2)cc1 2408477 UYOCODLGNGUXRC-OAHLLOKOSA-N 391.858 4.603 0 40 GJAB Cc1ccccc1[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2511449 NZNJRXYPNDCAEN-QFIPXVFZSA-N 387.435 4.659 0 40 GJAB Cc1cc(C)n2nc(SCc3cc(=O)oc4cc(C)c(C(C)C)cc34)nc2n1 3322898 VBYZWCJPFORZNX-UHFFFAOYSA-N 394.500 4.572 0 40 GJAB Cc1cccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3Cl)c2)c1 3470934 NPPZBCYKJBMIBV-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB C[C@]12C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 4162327 UVNVIINRUYTRNB-JGGVYVNCSA-N 379.843 4.834 0 40 GJAB CCCCCOP(=O)(OCCCCC)O[C@H](C(=O)OC)C(F)(F)F 4277121 DGKXSNXZFMGDNC-GFCCVEGCSA-N 378.324 4.629 0 40 GJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C)c3C)c3ccccn23)cc1 4585223 PRQBXNBBUMSXCH-UHFFFAOYSA-N 397.478 4.930 0 40 GJAB CCOC(=O)/C(=C/c1ccc(OCC)c2ccccc12)NC(=O)c1ccccc1 4610907 CIXRDABIVFQCSD-PGMHBOJBSA-N 389.451 4.573 0 40 GJAB C[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)N3CCC[C@@H](C)[C@@H]3C)cc2)[C@H]1C 4713649 DVMVMYMDLLKZEC-MHORFTMASA-N 386.540 4.991 0 40 GJAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4cc(Cl)ccc4Cl)cc1c32 5153738 ZXSKSFVECCKVME-JTQLQIEISA-N 375.255 4.642 0 40 GJAB COc1cccc(C(=S)N2CCCC2)c1OCc1c(F)cccc1Cl 5746306 AEMPEZKJSBHRAV-UHFFFAOYSA-N 379.884 4.838 0 40 GJAB COc1cccc([C@H](CNc2nc(C)nc3sc4c(c23)CCCC4)N(C)C)c1 6510619 MQGBMOONTGTCQM-SFHVURJKSA-N 396.560 4.602 0 40 GJAB O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3ccc(C(F)(F)F)cn3)o2)c1 7008930 RMLJXZHZDBFEFS-LSHDLFTRSA-N 376.294 4.715 0 40 GJAB C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)Nc1ccccc1 7547088 SHJHTXDGQCTEGT-JXFKEZNVSA-N 389.524 4.978 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(CN3CC[C@H]4CCCC[C@@H]4C3)cs2)cc1 8266887 YADUZOYLRIBXLG-QZTJIDSGSA-N 383.561 4.645 0 40 GJAB O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 11999098 RDFUDESWCUWBLL-UHFFFAOYSA-N 392.846 4.582 0 40 GJAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cc(Cl)ccc1Cl 12517235 DCLDZHXUGRCKRD-GFCCVEGCSA-N 392.286 4.559 0 40 GJAB CCc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)s1 12734977 UXPFSGNAGVWJMS-AWEZNQCLSA-N 398.557 4.988 0 40 GJAB O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12761335 SDLGBWDAUJNBQT-MRXNPFEDSA-N 378.255 4.742 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 13669884 FVSXMYMAJMGPTI-KRWDZBQOSA-N 389.923 4.872 0 40 GJAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccccc1N1CCCC1=O 15544222 WPBBDOMCHGUEAF-UHFFFAOYSA-N 392.430 4.784 0 40 GJAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccncc2)n2c(nc3ccccc32)N1 17968113 NVORWFVJKZPPDE-OAQYLSRUSA-N 388.471 4.596 0 40 GJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(NC(=O)C2CC2)cc1 18009382 AGVMVXLZLMAJHB-UHFFFAOYSA-N 377.271 4.614 0 40 GJAB CC(C)c1nc(C2CCN(C(=O)C3CCCCC3)CC2)ncc1-c1ccncc1 19451538 AGIIGGCBJJSXMZ-UHFFFAOYSA-N 392.547 4.948 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NCc1c(C)nc2c(C)cccn12 19715800 HOYBSPIXEBNPRX-UHFFFAOYSA-N 377.467 4.564 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20143919 OVPCTPHHVRCCSV-UHFFFAOYSA-N 382.243 4.833 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCSCc2ccccc2)c(Cl)c1 20450580 DDDDRHILWKJJQF-UHFFFAOYSA-N 377.893 4.779 0 40 GJAB CCOC(=O)C1=C(C)N[C@@H]2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1cccc2ccccc12 21548828 VJGOHOLAAFENKA-UEVCKROQSA-N 391.511 4.738 0 40 GJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(F)c(Cl)c1 22394990 IQUBYCKWGNHMNN-UHFFFAOYSA-N 383.897 4.975 0 40 GJAB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1OCc1ccncc1 24469675 FNOLLSKVAAOUIM-UHFFFAOYSA-N 388.345 4.812 0 40 GJAB O=c1c2ccccc2c(-c2cccs2)nn1C[C@@H](O)c1ccc(Cl)cc1 24973563 CFMQOGTYYBKWSF-QGZVFWFLSA-N 382.872 4.512 0 40 GJAB O=C(N[C@@H](Sc1nc2ccccc2o1)C(=O)c1cccs1)c1ccccc1 27061723 HZIAFEKGAMBPED-IBGZPJMESA-N 394.477 4.620 0 40 GJAB CCCOc1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 27645382 DJGIBBNMXGDPNK-UHFFFAOYSA-N 384.892 4.745 0 40 GJAB C[C@H](NC[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2)c1ccccc1 28296805 GSUDRDNINUXOFS-WMZOPIPTSA-N 382.935 4.885 0 40 GJAB O=C1CCCN1Cc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 30480757 DMSCQVSGFSTYRQ-UHFFFAOYSA-N 396.918 4.913 0 40 GJAB CC(C)c1ccc2nc(-c3cccnc3)cc(C(=O)NCc3ccncc3)c2c1 31818756 VLSZSWCNMMPBDQ-UHFFFAOYSA-N 382.467 4.745 0 40 GJAB O=C([C@H]1Cc2ccccc2S1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 32878874 URRBRWCWKUUXII-DNVCBOLYSA-N 396.537 4.525 0 40 GJAB CCOc1ccc2oc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)c(C)c2c1 32906514 AVFGSLJGBDNBSQ-UHFFFAOYSA-N 392.455 4.628 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 36395105 SJJYNMSRRBDJBZ-DKSSEZFCSA-N 396.911 4.574 0 40 GJAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849295 NENFYBNKTXYFOR-AWEZNQCLSA-N 381.278 4.983 0 40 GJAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 39141507 GQZODCSELPBINF-KRWDZBQOSA-N 386.923 4.580 0 40 GJAB O=C(Nc1ccc(F)c(F)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 39768148 BQVNIWOJBCEWSG-UHFFFAOYSA-N 382.813 4.608 0 40 GJAB Cc1cc([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)c(C)s1 40074259 GZKNAVHINVBIHQ-JXFKEZNVSA-N 386.561 4.695 0 40 GJAB Cc1cc([C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)c(C)s1 40074262 GZKNAVHINVBIHQ-OXQOHEQNSA-N 386.561 4.695 0 40 GJAB C[C@H]1CCN(C(=O)CSc2nncc3ccccc23)c2ccccc2S1 44156978 RGGIPGHVDWZNOS-AWEZNQCLSA-N 381.526 4.639 0 40 GJAB COc1ccc(C(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)cc1 44213353 XELCCPTUQWWACC-UHFFFAOYSA-N 375.453 4.609 0 40 GJAB Cc1ccc(-n2nc(C)c(NC(=O)CN[C@H](C)c3ccc(Cl)cc3)c2C)cc1 57484077 TVSBJZNJBPIJIT-OAHLLOKOSA-N 396.922 4.740 0 40 GJAB Cc1noc(Cl)c1CCC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 69454266 YESZFBNVZMWOMP-UHFFFAOYSA-N 386.864 4.813 0 40 GJAB Cc1nc(-c2ccco2)sc1CNC(=O)c1csc(-c2ccccc2)n1 90593410 GPGDXJPGMGCCBG-UHFFFAOYSA-N 381.482 4.765 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c(Br)c1 218871638 LNOUVIDRVSDVBH-UHFFFAOYSA-N 384.220 4.868 0 40 GJAB COc1ccc(OC[C@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 219002662 GZVCNDXSLAVAGY-IBGZPJMESA-N 389.495 4.678 0 40 GJAB COc1ccc(OC[C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 219127290 FSWVGXIMQIOHEH-IBGZPJMESA-N 389.495 4.801 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)cc1OCC 219602881 GCSAVVLVYYXKFT-GOSISDBHSA-N 391.895 4.611 0 40 GJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)cc1 223408302 DTOAQOXNXSSAOZ-OALUTQOASA-N 395.553 4.633 0 40 GJAB O=C(CSCc1ccccc1Cl)NCCOc1cccc2ccccc12 223509027 VRMRVUIMDJPLJN-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1OC 224244398 ONZYJJGDCYUUGQ-UHFFFAOYSA-N 391.467 4.555 0 40 GJAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)c(C)c1C 225362656 YTGDMCLQRHTJHF-QHCPKHFHSA-N 395.524 4.688 0 40 GJAB COc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)c2cccnc12 225877124 KQUVECRKEWTAHY-UHFFFAOYSA-N 377.513 4.999 0 40 GJAB Cc1cc(C)nc(Nc2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)n1 225913327 NGMHZSFTOZVBPJ-HNNXBMFYSA-N 380.879 4.981 0 40 GJAB C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C 253531393 CVNYHSDFZXHMMJ-BGYSOJIISA-N 390.564 4.686 0 40 GJAB CN(C)c1cc([C@H]2CCCN(C(=O)c3ccccc3-c3ccccc3)C2)ccn1 257344611 ZXZKORMMPSFTAE-NRFANRHFSA-N 385.511 4.834 0 40 GJAB C[C@@H](NC(=O)N1CCC[C@@H](CCF)C1)c1cccc(NC(=O)c2ccccc2)c1 663577049 JVMYLGXRFPRTGC-MSOLQXFVSA-N 397.494 4.781 0 40 GJAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@H](c3ccc(Cl)cc3)C2=C1O 1547208605 TYQVGXNVWFSRCN-SFHVURJKSA-N 377.831 4.671 0 40 GJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccccc1 703874 SGSCIFKCECPHPZ-SFHVURJKSA-N 385.442 4.744 0 40 GJAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)N1CCCCCC1 801394 SFKXAISDLXBSLT-UHFFFAOYSA-N 379.529 4.579 0 40 GJAB COc1ccc(NC(=S)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 1336871 YIEYPQJIABICFA-UHFFFAOYSA-N 388.920 4.640 0 40 GJAB CC(C)CN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(C(F)(F)F)cc1)C2 1369622 IXVZENKBECBETE-ROUUACIJSA-N 383.458 4.868 0 40 GJAB CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 1934913 IYRRMCBNNDQAEK-DPQIITEBSA-N 382.529 4.747 0 40 GJAB Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccc4ccccc4c3)ccc12 2094829 IEALTFBHECCPLV-UHFFFAOYSA-N 388.419 4.851 0 40 GJAB biogenic O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1c1nccs1 2247714 VISZPZGJAURVBV-INIZCTEOSA-N 394.839 4.653 0 40 GJAB Cc1cc(C)nc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1 2373326 ZAIOFIOKMWQCCU-UHFFFAOYSA-N 377.231 4.616 0 40 GJAB O=C(c1ccccc1)c1ccc(C(=O)N(c2ccccn2)c2ccccn2)cc1 3169002 PATWXQFEVXTOMA-UHFFFAOYSA-N 379.419 4.686 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21 3363472 ZJJQZBOIMAGBCK-UHFFFAOYSA-N 379.407 4.806 0 40 GJAB Cc1cc(C)c2nc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)sc2c1 3369311 HBDBVZOIXCKDFK-QGZVFWFLSA-N 382.485 4.723 0 40 GJAB CCOc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 4078324 FCTNPHABBDOAPM-UHFFFAOYSA-N 389.477 4.621 0 40 GJAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)n1C1CCCCC1 4925259 GIRCVRKKJCPUIE-SNVBAGLBSA-N 398.454 4.628 0 40 GJAB CCN(CC)CCN(C(=O)c1ccccc1C)c1nc2c(F)cccc2s1 5122027 QJZQMQZYEZBROH-UHFFFAOYSA-N 385.508 4.732 0 40 GJAB Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 5164819 AVBHSCRAVLHHQK-QFIPXVFZSA-N 396.446 4.863 0 40 GJAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)o2)cc1 5210484 NIJOYOALQCJHRV-GJZGRUSLSA-N 379.485 4.503 0 40 GJAB CCN(CC)CCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5529722 JIJNJLMTFJLOPL-UHFFFAOYSA-N 381.907 4.627 0 40 GJAB CCc1cccc(C)c1NC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl 6365571 YOJXEKROMWPYGY-UHFFFAOYSA-N 385.847 4.643 0 40 GJAB COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)o1 6552887 AAEMATKHXUBFPG-UHFFFAOYSA-N 397.481 4.668 0 40 GJAB COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 6641811 XOZQFEQVRDICDF-ZKENHABCSA-N 393.527 4.782 0 40 GJAB biogenic C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)c1ccccc1 6792082 HHCYJWSAEAUZON-HNNXBMFYSA-N 375.453 4.891 0 40 GJAB COc1cccc(-c2c(NC(=O)C3CCCCC3)oc3ccccc3c2=O)c1 6815073 SXXYGSJMEKTJMP-UHFFFAOYSA-N 377.440 4.987 0 40 GJAB biogenic CCCn1nnnc1CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 7241921 QZWRKAPOKLZMQD-UHFFFAOYSA-N 388.547 4.556 0 40 GJAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c1OC 7884771 ODZNQQSJRFODRO-OAQYLSRUSA-N 378.403 4.614 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)c1nccnc1-c1nc2ccccc2s1 7919402 IHFMYIKUVYKPOB-UHFFFAOYSA-N 380.860 4.967 0 40 GJAB O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928386 BOVUCYBLKFOITK-JTQLQIEISA-N 383.662 4.638 0 40 GJAB CCc1ccc(N2C[C@@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1 7929122 CPPAHKCZRRRORA-NRFANRHFSA-N 385.463 4.875 0 40 GJAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(Br)cc1 8188997 OKFPSDCSTMEAFJ-SNVBAGLBSA-N 392.322 4.616 0 40 GJAB CN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 8869646 RATMMVKBRAVTJZ-JOCHJYFZSA-N 397.430 4.547 0 40 GJAB COC(=O)CCS[C@@H]1c2ccccc2C(=O)N1[C@H]1CCCc2ccccc21 8984869 LYOYVIFVFMGDFZ-SIKLNZKXSA-N 381.497 4.515 0 40 GJAB CC(C)n1ncc2c(C(=O)Nc3ccc(N(C)C)cc3)cc(-c3ccco3)nc21 10507901 VFOPUOSTDOCESG-UHFFFAOYSA-N 389.459 4.591 0 40 GJAB C[C@H]1CN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 12596286 BAAFLPMPJFVFOP-OKILXGFUSA-N 378.394 4.698 0 40 GJAB CC(=O)N1C[C@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)Oc2ccccc21 12789249 RNSUKDODLLEZTE-OAQYLSRUSA-N 380.488 4.686 0 40 GJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(-c2ccccc2)cs1 12848644 KIIMZWLVZJWSLC-UHFFFAOYSA-N 375.453 4.955 0 40 GJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 13140791 ZLFIBKUZSYNLID-UHFFFAOYSA-N 378.453 4.831 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 15499447 UGLICORMZGJAFD-UHFFFAOYSA-N 397.434 4.726 0 40 GJAB CCOc1ccc([C@@H](CNC(=O)CC(C)C)c2c[nH]c3ccccc23)cc1OC 15670780 PNRVLUVFHLZKEB-LJQANCHMSA-N 394.515 4.869 0 40 GJAB O=C(CSc1nccn1Cc1ccccc1Cl)Nc1ccc(Cl)cc1 15825560 MXOOXHZMIUKRSD-UHFFFAOYSA-N 392.311 4.969 0 40 GJAB Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nn12 20609720 DKZFBJPWGJOOPP-UHFFFAOYSA-N 391.500 4.711 0 40 GJAB Cc1ccc(Cc2c(C)nc(Nc3nc(C)c4cc(C)c(C)cc4n3)[nH]c2=O)cc1 20673284 SUPKGBBOOGJGIF-UHFFFAOYSA-N 399.498 4.590 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 21836994 MWMWKIXQGSJYLM-HNNXBMFYSA-N 385.870 4.866 0 40 GJAB O=C(NCc1ccccc1F)c1ccccc1-c1ccc(Cn2cccn2)cc1 23042871 DSRCCQFSCVBQSM-UHFFFAOYSA-N 385.442 4.668 0 40 GJAB O=C1CCSc2ccc(C(=O)N(Cc3ccco3)Cc3cccs3)cc2N1 24460173 RXOISRWIQBIXAH-UHFFFAOYSA-N 398.509 4.618 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-n2ccnc2)nc1 25249187 QFEULDMRHFFWDQ-UHFFFAOYSA-N 390.830 4.965 0 40 GJAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-n2ccnc2)nc1 25538196 UUGFFMFVIPASHM-UHFFFAOYSA-N 397.463 4.796 0 40 GJAB CCC(CC)C(=O)Nc1nnc(-c2ccccc2-c2cccc(C(=O)O)c2)s1 27914160 CCYKWKSTGDKFJZ-UHFFFAOYSA-N 395.484 4.945 0 40 GJAB Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccco3)Cc3cccs3)oc2c1 27995191 RPFWOFCNPSIYPR-UHFFFAOYSA-N 393.464 4.907 0 40 GJAB CCN1CCC(NC(=O)c2cccc(CSc3ccc(Cl)cc3)c2)CC1 29606278 GCYZZTANDXRSFV-UHFFFAOYSA-N 388.964 4.846 0 40 GJAB Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c(C)s1 31951669 BYMNOVJDXINBFN-FZKQIMNGSA-N 392.952 4.650 0 40 GJAB COc1cc(C(=O)Nc2cccc3ncccc23)ccc1OCc1cscn1 32064271 NITPZKHPYQYHMW-UHFFFAOYSA-N 391.452 4.531 0 40 GJAB CCCCCCOc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 32115413 VAGBDAMKZQVDTE-UHFFFAOYSA-N 382.504 4.735 0 40 GJAB Cc1ccc2cc(COC(=O)COc3ccccc3Cl)c(Cl)nc2c1 32910175 QEIJJRMQVJKDEG-UHFFFAOYSA-N 376.239 4.972 0 40 GJAB O=C(NC1CCN(CCCc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 32921815 LAYGESUMOZZWAY-UHFFFAOYSA-N 391.342 4.820 0 40 GJAB CCCCOc1cccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)c1 33594625 PCMKWCMDKRNQNK-UHFFFAOYSA-N 394.496 4.851 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2cc(C)ccc2C)cc1OC 40039803 OVRUZVFPUOORHL-FQEVSTJZSA-N 395.499 4.647 0 40 GJAB Cc1nc(CSCCC(=O)NCc2ccc(Cl)cc2Cl)cs1 40069538 ZWRUABDXASQNDE-UHFFFAOYSA-N 375.346 4.698 0 40 GJAB O=C(Nc1ccccc1CN1CCCC1)c1ccc(COc2ccccc2F)o1 40134107 SJZACVYBXQDXDX-UHFFFAOYSA-N 394.446 4.846 0 40 GJAB N#Cc1ccccc1-c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)o1 50547952 SHXSHPCFYNIOMH-ODLFYWEKSA-N 387.420 4.912 0 40 GJAB O=C1c2ccccc2N[C@@H](c2csc(-c3ccccn3)n2)N1Cc1ccco1 54681571 IOFVNKBWERBSKN-LJQANCHMSA-N 388.452 4.565 0 40 GJAB Cc1nc2ccc(NC(=O)Cn3c(C)c(Br)c4ccccc43)cc2o1 58356463 NIWMDJTZGBGNBA-UHFFFAOYSA-N 398.260 4.801 0 40 GJAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1 59322982 FUVSMNLZIKPYFS-UHFFFAOYSA-N 395.355 4.575 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ncccc2C)C12CCCC2 71280931 NDEAFKKYHPLLBY-PXNSSMCTSA-N 391.515 4.679 0 40 GJAB O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 71817386 MDDSPLNXNACHSB-UONOGXRCSA-N 389.402 4.966 0 40 GJAB c1ccc(-c2nnc([C@H]3CC34CCN(c3ncnc5sccc35)CC4)o2)cc1 71889483 BDVYRMPXANGRCZ-MRXNPFEDSA-N 389.484 4.515 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 109003936 WOPGOWKVFAXVJB-FVCZOJIISA-N 381.520 4.734 0 40 GJAB COc1ccc(Cl)cc1NC(=O)NC[C@@](C)(O)c1cc2ccccc2s1 217523480 VSYXYLBAGKDSMZ-LJQANCHMSA-N 390.892 4.593 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222712281 ODQVNQRMADCROM-KKSFZXQISA-N 391.467 4.646 0 40 GJAB COc1ccc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)cc1Cl 224451351 NUDWABRJVSINPP-UHFFFAOYSA-N 377.868 4.782 0 40 GJAB CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224612110 PLFKVZGVEDJWQQ-UHFFFAOYSA-N 388.316 4.834 0 40 GJAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 224884474 MRIFEALONGCZEL-UHFFFAOYSA-N 392.421 4.744 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(C(F)(F)F)cc1 225450230 YGCVVZRMCZJLRA-UHFFFAOYSA-N 390.434 4.686 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccc(C)cc1 225640454 CHJMEGKPMWNVST-MBSDFSHPSA-N 381.516 4.615 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1C 225716303 ODVZPZWUJKGRGR-FQEVSTJZSA-N 381.545 4.868 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)ccc1O[C@@H](C)CC 225808319 IJCIIZXBGAZYKS-WCJKSRRJSA-N 391.508 4.574 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 408709283 YZTQCUVFQKIOLH-HJOIGYKYSA-N 390.955 4.804 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(C)cc2)cc1 408848086 WWVCXKWTZLXNNH-CJLVFECKSA-N 383.451 4.623 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)cc1C 409091929 VUVDHHVCOPEKFU-UHFFFAOYSA-N 380.517 4.540 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Cl)cc1C 409105463 HTQVDWMRPCFQFC-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB Cc1c2ccc(NC(=O)N3CCC[C@@H](c4ccc(F)c(F)c4)C3)cc2nn1C 1616042538 BRAALFUQBBWSFG-OAHLLOKOSA-N 384.430 4.571 0 40 GJAB COc1cccc(NC(=O)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 800769 TZJVKQDJEIPBAT-UHFFFAOYSA-N 380.469 4.878 0 40 GJAB C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3n2Cc2ccccc2F)C1 1381382 OEZXXLQVJHWSQG-MRXNPFEDSA-N 397.519 4.574 0 40 GJAB CN(C(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12)c1ccc(Cl)cc1 1402423 SKGSTSYHFBIEDW-UHFFFAOYSA-N 388.854 4.921 0 40 GJAB CC(C)c1ccc([C@H]2C[C@H](c3ccc(Br)cc3)n3nnnc3N2)cc1 2500117 VLCVTYCRSXJBCT-QZTJIDSGSA-N 398.308 4.705 0 40 GJAB Brc1ccc(Nc2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1 2665074 USSQOMJZVGEFQU-HNNXBMFYSA-N 399.292 4.727 0 40 GJAB COc1ccc(Nc2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)cc1 2686565 UVGQCXVGBXAKND-UHFFFAOYSA-N 394.905 4.690 0 40 GJAB COc1ccc(CNC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1 3037534 NJJWSYNLEXBYEN-UHFFFAOYSA-N 398.462 4.849 0 40 GJAB biogenic CC(C)N(C(=O)CSc1nnc(NCc2ccccc2)s1)c1ccccc1 3227380 IPVHDXOWPXGRIN-UHFFFAOYSA-N 398.557 4.684 0 40 GJAB Cc1cc(C)cc(O[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)c1 3253460 GVTQQKKIBNHESD-PMACEKPBSA-N 393.936 4.625 0 40 GJAB CCCCCCc1cc2cc(C(N)=O)/c(=N/c3ccccc3C)oc2cc1O 4077536 FSMMTOZUQAAQGS-BZZOAKBMSA-N 378.472 4.901 0 40 GJAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)Nc1cccc(O)c1 4275541 AIVMJMQWHSLPQI-UHFFFAOYSA-N 387.464 4.733 0 40 GJAB CCN(CC)CCN(C(=O)c1ccco1)c1nc2ccc(Cl)cc2s1 4359453 OOSJWHPIOIZUEW-UHFFFAOYSA-N 377.897 4.531 0 40 GJAB CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 4540015 KYWPVRJDZZFALK-JOCHJYFZSA-N 387.435 4.792 0 40 GJAB COc1ccc(-c2cn3cc(-c4ccc(Br)cc4)n(C)c3n2)cc1 4678307 VUWKQENBIKSULQ-UHFFFAOYSA-N 382.261 4.778 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc(O)cc2)on1 4880654 MIXHTXNPSFROEF-UHFFFAOYSA-N 382.725 4.972 0 40 GJAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccc(Cl)cc1 5483100 FFODJBCKILTTBX-UHFFFAOYSA-N 380.856 4.661 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCc1c[nH]c2ccccc12 5861433 JLHUQBIHJMCBBS-HGHGUNKESA-N 385.504 4.648 0 40 GJAB Cc1csc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)n1 5936576 MNZGDBATZIRQHX-UHFFFAOYSA-N 377.878 4.671 0 40 GJAB CCc1ccc(-c2csc(NC(=O)COc3ccc(C(C)=O)cc3)n2)cc1 6220617 ZIBDTHKHVMHEEP-UHFFFAOYSA-N 380.469 4.593 0 40 GJAB CCc1ccc2nc(NC(=O)c3ccc(CSc4ncn[nH]4)cc3)sc2c1 6497008 XRDZMVLDKRVSBF-UHFFFAOYSA-N 395.513 4.521 0 40 GJAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1Cl 6943272 OQCYGTLVTVLKQT-UHFFFAOYSA-N 397.833 4.793 0 40 GJAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)c(Cl)c1 7476711 JHYIIIHSYFSGTH-UHFFFAOYSA-N 395.330 4.655 0 40 GJAB Cc1ccc(C2=Nn3c(C[C@@H](C)c4ccccc4)nnc3S[C@H]2C)cc1C 7735529 YFWJMICBAZJTKB-SJORKVTESA-N 376.529 4.988 0 40 GJAB O=C(COc1ccccc1)Nc1nc(-c2cccc(Br)c2)cs1 8428142 LWSBQCURGOPULO-UHFFFAOYSA-N 389.274 4.590 0 40 GJAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2cccc(C)c2C)cc1 8476594 WAJQAPAHOOOUNJ-UHFFFAOYSA-N 396.494 4.790 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063405 HUCNEOFTNXHENN-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3cccnc3)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 9122328 SFOKPJCMTNXYMC-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB Cc1c(Cl)c(CN2CCC(NC(=O)c3ccccc3)CC2)nc2ccccc12 12761931 SHHYBBYMJYYVIA-UHFFFAOYSA-N 393.918 4.591 0 40 GJAB COc1cccc(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2Cl)c1 12767720 XKLIHCVIGWWIJI-SFHVURJKSA-N 390.867 4.553 0 40 GJAB CC(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12977777 ZFLPPLFNINKGNB-VBSWXYJSSA-N 394.559 4.956 0 40 GJAB COc1ccc(OC)c(NC(=O)CSc2ccc(Br)cc2C)c1 13007847 CTSUUVGLILZDPH-UHFFFAOYSA-N 396.306 4.506 0 40 GJAB C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 13041441 HSPLIDPQKOMDAL-JTQLQIEISA-N 397.340 4.764 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 13409145 WMUMZOAFCDOTRW-VPHAXDOUSA-N 390.564 4.686 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccc(C)c(C)c3)cc2c1 13646961 HPLIDILLVPIZOU-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cccc4ncccc34)n2)c(OC)c1 14197844 BMIGTQHCBCFAPX-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB O=c1c(Cl)c(NCc2cccc(C(F)(F)F)c2)cnn1-c1ccccc1 15165874 HCSOHOIOMQMLHO-UHFFFAOYSA-N 379.769 4.517 0 40 GJAB Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3cc(Cl)cc(Cl)c3N)o2)c1 16210467 KPCRTLQBZKZMPO-SNVBAGLBSA-N 392.242 4.852 0 40 GJAB COc1ccccc1CNCc1cn(Cc2ccccc2)nc1-c1cccs1 17310961 YMLGQVNAOBUJDY-UHFFFAOYSA-N 389.524 4.958 0 40 GJAB O=C(Cc1csc(-c2cccs2)n1)NCc1cccc(C(F)(F)F)c1 17346185 APWLOYKJIDEMSZ-UHFFFAOYSA-N 382.432 4.749 0 40 GJAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(NC(C)=O)cc1 18702097 AGOWDEFYROZCLX-UHFFFAOYSA-N 393.409 4.762 0 40 GJAB CCCCN(CCCC)CN1C(=O)S/C(=C/c2ccccc2OC)C1=O 19418430 XRGOYFXJBCQDQR-NBVRZTHBSA-N 376.522 4.591 0 40 GJAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3[C@@H](C)c3ccncc3)cc2n1 19522323 SCNVTXUZJBSCEH-GUYCJALGSA-N 389.425 4.604 0 40 GJAB CCOc1ccc2nc(NC(=O)c3cc(=O)c4c(C)cc(C)cc4o3)sc2c1 20867851 WAGDLFUSMNXFPY-UHFFFAOYSA-N 394.452 4.671 0 40 GJAB COc1cccc(CNc2cc(C(=O)O)ccc2C)c1OCc1ccccc1 20880187 VRAKRVJOEQRADA-UHFFFAOYSA-N 377.440 4.893 0 40 GJAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OC1(CCCCC1)O2 21046875 SSASKBJKCMUESG-UHFFFAOYSA-N 377.444 4.566 0 40 GJAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cccc(C(=O)N(C)C)c1 25326414 LUYSJNNZAFEGGJ-UHFFFAOYSA-N 399.903 4.726 0 40 GJAB CCCCCOc1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12 28251984 WNJQUYRWGLPDSF-UHFFFAOYSA-N 375.534 4.829 0 40 GJAB FC(F)(F)[C@@H]1CCCN(Cn2nc(NC3CCCCC3)sc2=S)C1 28710010 OEIAQLHSMSIKHP-LLVKDONJSA-N 380.505 4.650 0 40 GJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc2cc(F)ccc2[nH]1 32755174 WKZDSWZFWPYCDU-FQEVSTJZSA-N 385.870 4.527 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 32809600 FAPKEHRARMCQMJ-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(-c2ccccc2F)s1 32816430 AGLURRTVFMXROZ-UHFFFAOYSA-N 394.471 4.833 0 40 GJAB Cc1ccc(-n2nc3c(SCC(=O)c4ccccc4)nnc(C)c3c2C)cc1 36646301 SBDTWRNCLMFVMN-UHFFFAOYSA-N 388.496 4.716 0 40 GJAB O=C(NCCc1csc(-c2cccc(F)c2)n1)Nc1c(F)cccc1F 38668211 NYCLSNYLNJDTSQ-UHFFFAOYSA-N 377.391 4.592 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3F)c12 40128449 IBNZZSAPXOOPIR-UHFFFAOYSA-N 384.430 4.903 0 40 GJAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 59488476 OBEOGVZUXGTXDK-QGZVFWFLSA-N 384.907 4.983 0 40 GJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 72216072 OMVGDSBUQAIBBP-OAQYLSRUSA-N 379.504 4.936 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72359037 IGNMLAWTBCYIGG-HNNXBMFYSA-N 398.919 4.582 0 40 GJAB O=C([C@H]1C[C@@H]1c1ccc(Br)cc1)N(Cc1ccsc1)C1CC1 84393386 IPQSPOLDTAEONN-SJORKVTESA-N 376.319 4.805 0 40 GJAB O=C(NCc1cccc2ccccc12)N1CCC(Oc2ccc(Cl)cn2)CC1 96024950 WJFPVWNJVONCFG-UHFFFAOYSA-N 395.890 4.641 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccc(OCc3ccccc3)cc2)CCC1 102750480 RYGYZROTYWIYCV-HXUWFJFHSA-N 388.427 4.884 0 40 GJAB S=C(NCCSCc1ccccc1)Nc1ccc(Br)cc1 107372997 DCNSLTUPOOGHSR-UHFFFAOYSA-N 381.364 4.669 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)COc1ccc(C)cc1 219338174 BAOWEJKOKDKBGI-XMSQKQJNSA-N 377.484 4.889 0 40 GJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1F 223208714 IYVKCGLRIQVWAL-MRXNPFEDSA-N 387.520 4.521 0 40 GJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1 223435337 IVIYIYOPXMQRTG-UHFFFAOYSA-N 392.727 4.625 0 40 GJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225750150 KPMWCDPMMHSBFC-QFIPXVFZSA-N 378.557 4.721 0 40 GJAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(OCC2CCOCC2)nc1 253404206 QVXJSVSSWQIWEF-UHFFFAOYSA-N 388.467 4.806 0 40 GJAB CCn1cc(CN2CCC[C@@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 306141914 WJZGBTIRPWPVJG-GOSISDBHSA-N 377.517 4.616 0 40 GJAB CCn1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(=O)c2ccccc21 408713373 VQXKQMOOARBGMT-UHFFFAOYSA-N 396.490 4.864 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)c1C 409096808 MGHMXGGAFGTSRR-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB Cc1ccc(OCc2nn(CC(=O)Nc3ccccc3C(C)C)c(=S)o2)cc1 409174558 NPALAPVMHIGOHD-UHFFFAOYSA-N 397.500 4.855 0 40 GJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1c(OC)ccc2ccccc12 409369309 ATDYUYWBKAEQTK-LJQANCHMSA-N 380.469 4.616 0 40 GJAB Oc1nc2ccc(-c3noc(-c4cc(-c5ccco5)nc5ccccc45)n3)cc2[nH]1 546443447 IJZGCSUZNSXCDS-UHFFFAOYSA-N 395.378 4.794 0 40 GJAB CC[C@@H]1CN(Cc2nc3cc(C(=O)O)ccc3n2CC)CC[C@H]1c1ccccc1 571768817 OLPZHBFBHGKOHO-YLJYHZDGSA-N 391.515 4.770 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3ccc(F)cc3F)CC[C@@H]2N1c1ccc(F)cc1 1615158509 NFRLTWZNYYPFAU-VLIAUNLRSA-N 388.433 4.624 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1)C1CC1 1366512 XHXAHUJTQCIKIJ-UHFFFAOYSA-N 395.528 4.628 0 40 GJAB Cc1ccccc1Nc1nnc(SCc2nnc(-c3ccccc3)o2)s1 2633919 QCLWZMFTACQFBE-UHFFFAOYSA-N 381.486 4.932 0 40 GJAB Fc1ccccc1OCCSc1nc(-c2ccc(Br)cc2)n[nH]1 2646056 UHKBEMPVZXAVTE-UHFFFAOYSA-N 394.269 4.544 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(I)c1 3566751 MRNBVGXLDVINLB-UHFFFAOYSA-N 391.130 4.562 0 40 GJAB O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nnc(-c2cccc(F)c2)o1 4069913 LBHHBKZNLPOLAZ-UHFFFAOYSA-N 377.158 4.956 0 40 GJAB COc1ccc(CNc2nc(-c3ccccc3OC)cc(C(F)(F)F)n2)cc1 4597970 CTRWBGLVSBQNGO-UHFFFAOYSA-N 389.377 4.792 0 40 GJAB COc1cccc(-c2cc(C(F)(F)F)nc(N3CCc4ccccc4C3)n2)c1 4757746 RPDWVYLBMPAFHS-UHFFFAOYSA-N 385.389 4.734 0 40 GJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1cccc(C(C)=O)c1 4849372 RSIZRTXHXCYPKZ-UHFFFAOYSA-N 394.496 4.739 0 40 GJAB CCSc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 5241129 CLFDQZAJHNZRPB-UHFFFAOYSA-N 398.509 4.946 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CCCC2 6206693 DSIJWHQFRFXZQW-UHFFFAOYSA-N 383.513 4.935 0 40 GJAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/C=C/c1ccccc1 6324998 UBHBNFVRGQFHNX-HUPFXJEZSA-N 396.288 4.659 0 40 GJAB Clc1ccc(OCC2=NSC3=NCC(c4ccccc4)=NN23)c(Cl)c1 6344134 KEEMNVJDCTTXBT-UHFFFAOYSA-N 391.283 4.508 0 40 GJAB CCC(=O)Nc1cc(OC)c(C(=O)OCc2ccc(Cl)cc2)cc1Cl 6348866 BDUWWBALFLSMGU-UHFFFAOYSA-N 382.243 4.708 0 40 GJAB CNC(=S)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 6561555 CJTMMMRYIMOOND-AWEZNQCLSA-N 378.328 4.701 0 40 GJAB O=C(c1cc2ccccc2o1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 6608444 JCCIEXXLHWBKPS-UHFFFAOYSA-N 393.830 4.941 0 40 GJAB CC(C)Cn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccco1 6649983 UZDDGIIKPRPJHT-UHFFFAOYSA-N 399.451 4.676 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C(C)C 6736975 AOEVERBPOMFHHZ-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB Cc1ccc(-c2noc(CN(C(=O)COc3ccc(Cl)cc3)C(C)C)n2)cc1 6736980 JSIXJRPRIAUNPO-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1sc2cc(F)ccc2c1Cl 7990819 MXKFAZJPCKELEC-AWEZNQCLSA-N 392.883 4.854 0 40 GJAB CCn1nnc2cc(C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)ccc21 8071247 WMDJJIPNINMTIR-UHFFFAOYSA-N 394.862 4.637 0 40 GJAB COC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 8132849 XGAGBQGDQCAXMM-HNNXBMFYSA-N 395.528 4.885 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 8161172 PZFAQTAJUAVMBC-NRFANRHFSA-N 383.488 4.559 0 40 GJAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3ccccc3)ccc21 8959061 OFWQZMCIMOLEMU-UHFFFAOYSA-N 394.515 4.666 0 40 GJAB CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2)cc1 9018997 KPWHDMKELMEZCE-UHFFFAOYSA-N 398.462 4.774 0 40 GJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)CCc3ccccc3)ccc1O2 9135370 SUOMOXOOXJLMTN-UHFFFAOYSA-N 386.451 4.949 0 40 GJAB CC[C@@H](C)[C@@H](C(=O)OCC(=O)Nc1cccc2ncccc12)c1ccccc1 9513711 LHFPSJMPZKYFQA-OPAMFIHVSA-N 376.456 4.546 0 40 GJAB C[C@H](Sc1nc2ccccc2o1)C(=O)N1CCC(Cc2ccccc2)CC1 10141064 URLFRYASOJJQLP-INIZCTEOSA-N 380.513 4.790 0 40 GJAB CC(C)c1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccccc1)C3 10156946 OXDSKGSHAGHEIC-SFHVURJKSA-N 382.467 4.827 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CN3CCC[C@H]3c3ccccc3)c2)cs1 10340355 VMDBAIPTERSROM-NRFANRHFSA-N 377.513 4.894 0 40 GJAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc[nH]c1=S 11406296 QCRXXRUXSKYZBG-UHFFFAOYSA-N 386.480 4.527 0 40 GJAB C[C@H](Sc1nncc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 12849403 UBGTVDZKXYGOBZ-NSHDSACASA-N 377.391 4.768 0 40 GJAB COc1ccc(-c2csc(NC(=O)C3(c4ccc(F)cc4)CC3)n2)cc1OC 12906282 LCNNXQIBHZEXPJ-UHFFFAOYSA-N 398.459 4.637 0 40 GJAB COc1ccc(-c2nc(C)c3c(C)c(C(=O)Nc4nccs4)sc3n2)cc1 13687594 NFCDZPPDUIBKGJ-UHFFFAOYSA-N 396.497 4.693 0 40 GJAB CC(=O)c1cccc(NC(=O)CCn2ccc3cc(Br)ccc32)c1 13690331 FCUZJROMLKWDOK-UHFFFAOYSA-N 385.261 4.635 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14796246 SLTANKFUTGJCSQ-IRXDYDNUSA-N 396.531 4.918 0 40 GJAB CCCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2F)c2cccnc12 15841011 PIRRJNCDWOJZDP-GOSISDBHSA-N 382.435 4.959 0 40 GJAB CC[C@@H]1c2ccsc2CCN1C(=O)COc1ccc(Br)cc1F 16778719 BCEQWFKFUOVKKN-CQSZACIVSA-N 398.297 4.565 0 40 GJAB O=C(Oc1cccc2ccccc12)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 17081252 ILESWXCPSXWXQE-NHCUHLMSSA-N 397.430 4.515 0 40 GJAB O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc(-c2cccc(F)c2)cc1 19403100 SGYIBBWYKXOCQJ-UHFFFAOYSA-N 388.402 4.509 0 40 GJAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)cc2C)c(Br)c1 20036179 BTXOCRKXQAGMER-HNNXBMFYSA-N 390.321 4.885 0 40 GJAB CCCCOc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1 20141561 VONDVFQMESWLBZ-UHFFFAOYSA-N 395.455 4.879 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 20454457 BRHXUJLIZLLKIM-QGZVFWFLSA-N 382.504 4.746 0 40 GJAB Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 20486944 SHYKGUDZRIATPY-IBGZPJMESA-N 386.495 4.976 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 22526547 UBYIZULWXNQVOX-KRWDZBQOSA-N 391.515 4.562 0 40 GJAB COc1cccc(-n2ccnc2SCc2cc(=O)oc3c(C)c(C)ccc23)c1 23050663 CXFNEOGVRKILML-UHFFFAOYSA-N 392.480 4.896 0 40 GJAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 23142455 OSMHEJRKCIDXCX-AWEZNQCLSA-N 382.287 4.573 0 40 GJAB C[C@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCO2 24832332 MLVVKUVGXHYURM-KRWDZBQOSA-N 388.467 4.561 0 40 GJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 26295617 ZTFCLPNPYSPQIJ-ZIAGYGMSSA-N 382.348 4.968 0 40 GJAB Fc1cc2nc(SCCCc3nc(-c4cccs4)no3)[nH]c2cc1F 27078894 BAXBPVAJVTWYFM-UHFFFAOYSA-N 378.429 4.678 0 40 GJAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccc(Cl)cc1)c1ccccn1 27794299 FFDMNXHTHXQGTJ-UHFFFAOYSA-N 390.826 4.688 0 40 GJAB Cc1cccc(Cn2cc(Br)c(NC(=O)Nc3ccccc3C)n2)c1 27917495 DIDJMMMTNFLGAL-UHFFFAOYSA-N 399.292 4.955 0 40 GJAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3Cc3ccccc3)c12 27984882 RVXXRFWIXWGDBP-UHFFFAOYSA-N 396.494 4.997 0 40 GJAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCCCC2)N(Cc1ccco1)C1CC1 29270392 REQJOBREHXMIHD-UHFFFAOYSA-N 393.462 4.678 0 40 GJAB Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cnn1-c1ccccc1F 32903179 ZBGPKZPDYLCTDK-UHFFFAOYSA-N 393.340 4.513 0 40 GJAB COc1ccc(CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)cc1F 32933500 PDJNBRZBAYURKZ-UHFFFAOYSA-N 376.431 4.710 0 40 GJAB CCOc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)cc1 32935065 UJUMSGNEQRGXPK-IBGZPJMESA-N 387.277 4.545 0 40 GJAB O=C(NCCc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832939 QDTVOFFBUGKRQA-GOSISDBHSA-N 391.342 4.564 0 40 GJAB O=C(CSCc1cccnc1)Nc1nc(-c2ccccc2Cl)cs1 48356443 ZTKMEJWFDHYIQH-UHFFFAOYSA-N 375.906 4.730 0 40 GJAB CCOC(=O)c1ccc(NC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 51354279 GTLROYUQKSDSMG-UHFFFAOYSA-N 388.423 4.738 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 59227234 PKAJGAZNOGHAGZ-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB Cc1cc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)ccc1N(C)C 60369788 PGAPBDJEMQWDHJ-UHFFFAOYSA-N 378.476 4.661 0 40 GJAB CN(C)c1ccc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)cc1 67259048 KJWPCEZORISANV-UHFFFAOYSA-N 387.508 4.744 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1OCC 68740827 ZCCFMJRQPRVWRA-UHFFFAOYSA-N 389.451 4.967 0 40 GJAB COc1ccccc1-c1nccnc1[C@H]1CCCN(CCCc2ccccc2)C1 72358898 PHVMGSBAVAVVDI-NRFANRHFSA-N 387.527 4.964 0 40 GJAB C[C@](O)(CNC(=O)Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 77184139 TYQBPHJBKDXVKQ-QHCPKHFHSA-N 379.887 4.573 0 40 GJAB CCn1c(NCc2ccc(OCc3cccnc3)cc2)nc2cc(F)ccc21 95943693 JXMDYEJSQJCYNR-UHFFFAOYSA-N 376.435 4.781 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3ccc(N4CCOC4=O)cc3)sc2C)s1 95947731 JISHNWDGUQLMIF-UHFFFAOYSA-N 399.497 4.697 0 40 GJAB c1ccc(COc2ccc(CN3CC(c4nc(-c5ccco5)no4)C3)cc2)cc1 96024298 QJSLLOGZFSVWDP-UHFFFAOYSA-N 387.439 4.508 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219370361 ZHEWSCCXFTZFKP-MOPGFXCFSA-N 385.504 4.746 0 40 GJAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 222629429 KCAFIUYASPUFCN-GOSISDBHSA-N 398.572 4.501 0 40 GJAB CCCC[C@H](CC)CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 225121602 LQAQAMCELJBICZ-IGCAKMCNSA-N 382.504 4.692 0 40 GJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225693443 CAYSVUYSXMTPMQ-HSZRJFAPSA-N 390.568 4.721 0 40 GJAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 225776756 ZRNLEVLDULNFQC-UHFFFAOYSA-N 379.431 4.674 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225824592 CHRNMLYAVIZWIH-BTYIYWSLSA-N 379.497 4.574 0 40 GJAB CC(C)c1nc(Cc2ccc(NC(=O)c3conc3-c3ccccc3)cc2)no1 225870154 PERPHXQNZZFFBO-UHFFFAOYSA-N 388.427 4.691 0 40 GJAB CCN(C(=O)C(F)(F)F)c1ccc(C)c(-c2cc3ccccc3oc2=O)c1 226358356 YPIYQTIDZOULBX-UHFFFAOYSA-N 375.346 4.684 0 40 GJAB Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)c3c(F)cccc3F)C2)nc1 257232889 GMWGWIQVGOYRNO-INIZCTEOSA-N 397.425 4.651 0 40 GJAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)c3c(F)cccc3F)C2)nc1 257232890 GMWGWIQVGOYRNO-MRXNPFEDSA-N 397.425 4.651 0 40 GJAB O=C(NCc1nc(C2CCCCC2)cs1)C1(c2ccccc2)CCOCC1 390830070 INVKUVNGRJAQFM-UHFFFAOYSA-N 384.545 4.555 0 40 GJAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 408803548 QIQIJXPAXLTAMI-UHFFFAOYSA-N 380.276 4.770 0 40 GJAB O=C(Nc1cccc2ccccc12)C1CCN(C(=O)c2ccccc2Cl)CC1 780474 LMJBGWINDVBROH-UHFFFAOYSA-N 392.886 4.984 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4cccc(C)c4C)n3c2c1 903037 NWGHEOXHSXJSIS-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB Cc1cc(C(=O)CSc2ccc(Cl)cc2)cc(C)c1OC(=O)N(C)C 1397542 DYQPGDYHFVOFON-UHFFFAOYSA-N 377.893 4.992 0 40 GJAB CCCCOC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 1801375 ARKLIGNJVZCAPR-UHFFFAOYSA-N 396.270 4.968 0 40 GJAB O=C(c1ccco1)N(CC[C@@H](c1ccccc1)c1ccco1)C(=O)c1ccco1 2107140 ZKOJDKQBJDQLME-SFHVURJKSA-N 389.407 4.970 0 40 GJAB biogenic O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc(F)c(F)c1F 3436123 PRJJDIZZGUJDNF-UHFFFAOYSA-N 380.416 4.958 0 40 GJAB O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1F 3443775 YMPWBFMVJSWSGZ-UHFFFAOYSA-N 393.039 4.913 0 40 GJAB CCOc1ccc(C(=O)N2CCN=C2SCc2ccc(C)cc2)cc1OCC 4120369 VTORSUYSTQGPMB-UHFFFAOYSA-N 398.528 4.538 0 40 GJAB Cc1cc(SCC(=O)Nc2nnc(-c3ccccc3)o2)nc2c(C)cccc12 4801432 FXWSOKWQISOLOS-UHFFFAOYSA-N 390.468 4.632 0 40 GJAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN(c2nc3ccccc3s2)C1 4967866 PXZWJHBAKNZZRQ-QCYTXABWSA-N 395.572 4.598 0 40 GJAB c1ccc(-c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1 5018363 YHQSZVDPVCVYCL-UHFFFAOYSA-N 395.465 4.881 0 40 GJAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3cccs3)C[C@H]21 5091724 VLVMKDUFEQPIAC-GOSISDBHSA-N 397.544 4.501 0 40 GJAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl 5100285 CFSHSZBJCCTXPY-BXKMTCNYSA-N 388.231 4.690 0 40 GJAB CCc1ccc(-c2nnc(SCC(=O)c3ccc(OC(F)F)cc3)[nH]2)cc1 5180473 UKFLFCUJMQEQNK-UHFFFAOYSA-N 389.427 4.611 0 40 GJAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1c[nH]c2ccccc12 5430194 AATOPMWSEPTULQ-OAHLLOKOSA-N 390.512 4.734 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)oc2c1 6305077 GVLFSEKTRPPHHA-UHFFFAOYSA-N 395.802 4.952 0 40 GJAB CCOc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 6943770 DYUFDSFXYPKQFB-NRFANRHFSA-N 388.467 4.585 0 40 GJAB O=C(CN(Cc1ccco1)Cc1cccs1)N[C@H]1CCCc2ccccc21 7580646 JXMSTEUXFIBYGS-NRFANRHFSA-N 380.513 4.537 0 40 GJAB C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1ccccc1 8132389 GNLUUIXMFNANBA-SECBINFHSA-N 385.798 4.765 0 40 GJAB COC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1Cl 8220303 HIBVISPJKWCSMY-JTQLQIEISA-N 384.284 4.899 0 40 GJAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CCCCCC1 8313617 TVLUWCOMOWUACK-LBPRGKRZSA-N 379.913 4.710 0 40 GJAB Clc1ccccc1OCc1nn2c(CSc3ccccc3)nnc2s1 8393227 ZWQYYWKNHYXXQW-UHFFFAOYSA-N 388.905 4.711 0 40 GJAB COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 9135255 GICYEOORVQNPFK-UHFFFAOYSA-N 394.814 4.959 0 40 GJAB CC(C)c1ccc(NC(=S)N2CCN(c3nsc4ccccc34)CC2)cc1 9481914 MQKKRZTVFJYGBZ-UHFFFAOYSA-N 396.585 4.939 0 40 GJAB COc1ccc(Cl)cc1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 10279062 QXYJUXQPANGGJM-UHFFFAOYSA-N 395.890 4.684 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2)cc1 10629496 VJIKVAHRMJSGJE-UHFFFAOYSA-N 399.450 4.595 0 40 GJAB CCN1C[C@H](c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)CC1=O 12539651 OOBYKKLRXVWYRI-LJQANCHMSA-N 375.516 4.654 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1C[C@@H]1CCCO1 12564329 TULYYVJKZGEUEJ-SCLBCKFNSA-N 377.271 4.739 0 40 GJAB Cc1ccc(-c2noc(CN(C)Cc3ccccc3N3CCCCC3)n2)cc1 12586306 HUOWIYYRFXDOBH-UHFFFAOYSA-N 376.504 4.667 0 40 GJAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 13709014 PGVUBRFCUZJKIA-SFHVURJKSA-N 379.525 4.965 0 40 GJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2oc3ccc(C)cc3c2C)CC1 19220496 COYODWOZHBGIFS-UHFFFAOYSA-N 394.490 4.816 0 40 GJAB COc1ccc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1OC 19559864 DUDKEFZRABNYDH-KRWDZBQOSA-N 388.558 4.912 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccccc1Cl 20494598 UBSCPZRCFRICLI-GOSISDBHSA-N 375.896 4.645 0 40 GJAB O=C(c1cc2ccccc2o1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 20533932 NOWNUYVJTNETIR-UHFFFAOYSA-N 394.474 4.961 0 40 GJAB O=C1c2ccccc2-c2ccc(N3C(=O)c4ccccc4C3=O)c3cccc1c23 22636400 DDJORDNVTWRDBQ-UHFFFAOYSA-N 375.383 4.852 0 40 GJAB Cc1c([C@@H](C)NC(=O)c2ccc(F)cc2)cnn1-c1cccc(C(F)(F)F)c1 24753177 UORVAQNVWWCYNV-GFCCVEGCSA-N 391.368 4.830 0 40 GJAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc2cccc(Br)c2o1 32637022 WJIAGDOCTYHLJU-UHFFFAOYSA-N 399.244 4.796 0 40 GJAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 32796623 NATNKUOFTKMGBC-QGZVFWFLSA-N 388.467 4.781 0 40 GJAB Cn1c(SCc2ccccc2Cl)nnc1-c1sc2ncccc2c1N 35477238 YNNMIMYVJIEOJX-UHFFFAOYSA-N 387.921 4.620 0 40 GJAB Cc1nccn1-c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1F 40155010 KGWVZDXBTUEWGW-UHFFFAOYSA-N 377.341 4.520 0 40 GJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cccc(F)c1 45863995 XWUYGAAPCGVVTG-INIZCTEOSA-N 376.431 4.911 0 40 GJAB Cc1csc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)n1 46894300 DRBKPJLFEZLPDP-UHFFFAOYSA-N 390.262 4.654 0 40 GJAB O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cc(-c2ccco2)nn1-c1ccccc1 58136312 XYGWFNRXXXKBBG-UHFFFAOYSA-N 395.422 4.775 0 40 GJAB Cc1cccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c1 67288532 GIVBJDQYXPLAOJ-UHFFFAOYSA-N 377.463 4.921 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc(F)c(F)c(F)c1F 70020413 BQWLFDXLKMKVKZ-UHFFFAOYSA-N 394.368 4.512 0 40 GJAB FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCCN(C3CCOCC3)C2)c1 72359077 YDCDQWJTYPQOPW-MRXNPFEDSA-N 391.437 4.521 0 40 GJAB Cc1cc(N)nc(S[C@@H](C)C(=O)N2c3ccccc3Sc3ccccc32)n1 84114576 ABHFMCWXPZXYHB-ZDUSSCGKSA-N 394.525 4.677 0 40 GJAB COc1ccc(SCC2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc1 90608290 FPWVQWUKVZQMHY-UHFFFAOYSA-N 388.508 4.548 0 40 GJAB O=C(Nc1c(F)cc(Br)cc1F)c1cc(Cl)cc(Cl)n1 95468159 XFNFSHVDILAPFP-UHFFFAOYSA-N 381.991 4.681 0 40 GJAB CCOc1ccccc1-c1csc(NC(=O)c2cc(OC)c(OC)cc2C)n1 95964742 BFMNOLQPUFYFRA-UHFFFAOYSA-N 398.484 4.787 0 40 GJAB Cc1sc(NC(=O)c2cnn(C(C)C)c2C)nc1-c1c(F)cc(F)cc1F 97032836 OFMJFKBQEABELC-UHFFFAOYSA-N 394.422 4.874 0 40 GJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC45OCCO5)[C@@H]3CC[C@@H]2C1 118914899 DPBGWNOQXKBDCB-ALHBQKHBSA-N 376.537 4.704 0 40 GJAB O=C(Nc1ccccc1Sc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 195550535 ZDVZMVOUUUFQCG-BIPCEHGGSA-N 399.899 4.953 0 40 GJAB CCn1c(S/C(=C\c2ccc(C)o2)C(=O)O)nnc1-c1ccc(Cl)cc1 211522647 KUKLTKWXXAKZGA-GDNBJRDFSA-N 389.864 4.738 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 219562732 GDYXLWUDWXSCND-WOJBJXKFSA-N 385.504 4.765 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)cc1OCC 222992337 ZFIVPYBGLYTFNC-HXUWFJFHSA-N 385.504 4.575 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1(c2ccccc2)CCCC1 223244015 YMZFVXISVMTHID-HXUWFJFHSA-N 379.500 4.926 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1cccc(C)c1C 223945460 FTVSQUKQNKROOQ-NRFANRHFSA-N 377.484 4.809 0 40 GJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NC(C(C)C)C(C)C 224692576 XFKXVBQXSFHZNW-UYRXBGFRSA-N 384.545 4.624 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 225181553 CEEPKAXQKDBEBE-UHFFFAOYSA-N 383.532 4.990 0 40 GJAB CC(C)Oc1cccc(CNC(=O)CSCc2ccc(Cl)cc2F)c1 225440161 YAHOPPCIDBMDIU-UHFFFAOYSA-N 381.900 4.816 0 40 GJAB Cc1ccc(OCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225562403 XWWSZMGGLOBRHI-UHFFFAOYSA-N 399.741 4.776 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)COc2cccc(C(F)(F)F)c2)cc1 225813369 MHTLSKNLYZOBLW-UHFFFAOYSA-N 395.421 4.620 0 40 GJAB O=C(c1cccs1)N1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 306131321 KBTVMVRMEOMBCU-OAHLLOKOSA-N 394.525 4.539 0 40 GJAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(F)cc2)c1 408699807 ZMRJPVSYJSDKMI-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(=O)oc2c1 408801807 BWHIZSLRTTZIFK-UHFFFAOYSA-N 384.863 4.853 0 40 GJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3CC)o2)cc1 409350703 YVISLMORSDGWRK-UHFFFAOYSA-N 397.500 4.504 0 40 GJAB O=C(Cc1ccn(-c2ccccc2)n1)Nc1ccc(Sc2ccncc2)cc1 533260248 DHWXXJCODWVSDW-UHFFFAOYSA-N 386.480 4.600 0 40 GJAB CC[C@@H](C)Oc1cc(NCc2ccccc2CN2CCCCCC2)nc(C)n1 1639460394 SGQLUSWLNBHGIB-GOSISDBHSA-N 382.552 4.950 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 670375 BHGQQGOESDFXLR-NSHDSACASA-N 382.243 4.576 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccccc2Br)sc(C)c1C 834727 KOHUBAPPFGLMLS-UHFFFAOYSA-N 382.279 4.556 0 40 GJAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 924391 ZTYNHJWLXYISBL-UHFFFAOYSA-N 394.496 4.662 0 40 GJAB CCc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1 936137 VTVLGAXQQYVCHE-UHFFFAOYSA-N 391.496 4.673 0 40 GJAB Oc1c(C2=NCCC2)c2nc(-c3ccc(Cl)cc3)cn2n1-c1ccccc1 1772001 FAEBJLQTUWEMCN-UHFFFAOYSA-N 376.847 4.734 0 40 GJAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OC/C=C/c3ccccc3)ccc12 2094175 RJJLNVQCXWLTET-RMKNXTFCSA-N 378.424 4.519 0 40 GJAB biogenic CC(C)CCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 2389457 ORPCLUWQNHBWMV-UHFFFAOYSA-N 388.471 4.570 0 40 GJAB CC(C)(C)OC(=O)COc1ncnc2scc(-c3ccc(Cl)cc3)c12 3355238 LXWCTBQXWCIRNP-UHFFFAOYSA-N 376.865 4.732 0 40 GJAB O=C(Sc1nnc(-c2ccco2)n1-c1ccccc1)c1c(F)cccc1F 3404733 FUILOQFRGVBLIY-UHFFFAOYSA-N 383.379 4.738 0 40 GJAB Cc1nc(SCC(=O)Nc2nc3ccccc3s2)[nH]c1-c1ccccc1 4945301 RTXLQHNIOWCVGG-UHFFFAOYSA-N 380.498 4.726 0 40 GJAB O=C(Nc1cccc(Cl)c1)NC1(C(=O)Nc2cccc(F)c2)CCCCC1 4965410 PTTADYBHNZTFJP-UHFFFAOYSA-N 389.858 4.942 0 40 GJAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C(F)(F)F)oc2cc1O 5444886 MPHUZEMMOJKBQT-UHFFFAOYSA-N 392.329 4.518 0 40 GJAB biogenic O=C([C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1)N1CCCCC1 5472506 HZHAXVPSKDLDOL-SFHVURJKSA-N 379.485 4.583 0 40 GJAB O=C(NCCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1 5545847 UDHILGSZQJNBJP-UHFFFAOYSA-N 389.886 4.711 0 40 GJAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)n2)cc1 5867189 GMUXFXSHPDTQOL-NSHDSACASA-N 390.871 4.692 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1N1CCOCC1 6346127 IIVYGLMPOLTIQE-UHFFFAOYSA-N 386.495 4.684 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 6355434 APRMCQQNBBWIFN-XDHOZWIPSA-N 383.469 4.639 0 40 GJAB CCc1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1 6543684 ZARNBUPSOUEKKW-UHFFFAOYSA-N 387.555 4.956 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(CN2CCCC2)cc1 6627307 INBJYUMQXQZWJY-UHFFFAOYSA-N 379.287 4.850 0 40 GJAB Cc1occc1-c1nnc(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)o1 7218814 UJZRFRWEGSSRIG-UHFFFAOYSA-N 399.472 4.598 0 40 GJAB COc1ccccc1Nc1nc(Nc2ccc(C)c(Cl)c2)c2cnn(C)c2n1 7448236 YDGHZSWOAMMULF-UHFFFAOYSA-N 394.866 4.821 0 40 GJAB O=C(NCCc1nc2ccccc2n1CCCc1ccccc1)C1CCCCC1 7546632 ZVECOVGTIGGTCN-UHFFFAOYSA-N 389.543 4.908 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 7642038 HVXDILMBMJGOBF-MRXNPFEDSA-N 380.488 4.517 0 40 GJAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(Oc3ccccc3)c2)c1 7796596 NACLGLYMVLABDU-UHFFFAOYSA-N 388.467 4.806 0 40 GJAB Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)c1 7929155 BAFYOHFGERFBET-HXUWFJFHSA-N 385.463 4.929 0 40 GJAB CCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCC(=O)N4)n2)cc1 8982719 WGNLSODVQZZQTB-UHFFFAOYSA-N 377.469 4.510 0 40 GJAB CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 9184907 PABWRIMOYBPUIF-UHFFFAOYSA-N 376.500 4.796 0 40 GJAB Cc1occc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 10908607 DMRZHBXAVQPGCH-UHFFFAOYSA-N 375.403 4.510 0 40 GJAB COc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4F)o3)sc2c1 11807122 RBYVNHBWBXOGGH-UHFFFAOYSA-N 397.431 4.670 0 40 GJAB CN(Cc1nc(N)c2c3c(sc2n1)CCCC3)Cc1c(F)cccc1Cl 12511285 KETVXEUZWZTDSH-UHFFFAOYSA-N 390.915 4.577 0 40 GJAB Cc1ccccc1OCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 12539725 FGCHRVSUMLXSQY-KRWDZBQOSA-N 389.455 4.508 0 40 GJAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3cc(Cl)ccc3Cl)ccc(F)c21 12916979 MQUSASBQEZADSG-SECBINFHSA-N 382.218 4.840 0 40 GJAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 14839320 LUOKTLNIVNQSOB-UHFFFAOYSA-N 383.517 4.675 0 40 GJAB Cc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@@H]2c2ccccc2)cc1 15412884 VJWHVVRSUPIOCL-DEOSSOPVSA-N 384.479 4.733 0 40 GJAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccccc1Cl 17016959 MKNASGPGWZJLCN-UHFFFAOYSA-N 379.869 4.875 0 40 GJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1ccccc1Br 17964494 LHWWCBRTRZBKFD-LLVKDONJSA-N 398.732 4.754 0 40 GJAB Cc1cccc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c34)C2)n1 19236216 ZEMAOSVRNHQPBI-AWEZNQCLSA-N 390.409 4.633 0 40 GJAB COc1cc(C)c(NC(=O)c2noc(C)c2Cc2c(C)noc2C)cc1C(C)C 19567182 NMQOOUSCCBDKCR-UHFFFAOYSA-N 397.475 4.871 0 40 GJAB CC1CCN(Cc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)CC1 20457193 VEXHXOZHVFBTAD-UHFFFAOYSA-N 380.532 4.636 0 40 GJAB CCC[C@H](C)NC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 21734089 LGRZXRNPZKWMRO-AWEZNQCLSA-N 399.874 4.797 0 40 GJAB Cc1cccn2cc(COc3cccc(C(=O)Nc4cc(F)cc(F)c4)c3)nc12 22502176 CFLBSGXPDNAJQC-UHFFFAOYSA-N 393.393 4.752 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1Cl 22907717 YAGMJGHDSUTAAF-FQEVSTJZSA-N 396.943 4.931 0 40 GJAB COCCN1C(=O)c2ccccc2N[C@@H]1c1csc(-c2ccc(Cl)cc2)n1 25310672 PYNFNZADVIAWQI-SFHVURJKSA-N 399.903 4.676 0 40 GJAB COc1ccc(-c2noc(CN(Cc3c(F)cccc3Cl)C3CC3)n2)cc1 27370622 AZDRMOMXMMBRJI-UHFFFAOYSA-N 387.842 4.702 0 40 GJAB O=C(c1ccco1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 30180953 SWGFQOVJJXUSBW-UHFFFAOYSA-N 386.904 4.620 0 40 GJAB CNc1snc(C)c1C(=O)OCc1csc(-c2ccccc2Cl)n1 31627965 WNYPCIJJRFMUIP-UHFFFAOYSA-N 379.894 4.627 0 40 GJAB Cc1nn(C)c(C)c1/C=C/C(=O)N(Cc1ccccc1)[C@@H](C)Cc1cccs1 32988541 YFFARCPGTYETBX-UJGDBWEASA-N 393.556 4.772 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc3C2)c1 35269257 IUJOCGXJFVSKLQ-DEOSSOPVSA-N 384.479 4.627 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3ccccc3N(C)C(=O)C3CC3)c2)cs1 40145089 WPNSHEMPIZXBNJ-UHFFFAOYSA-N 391.496 4.744 0 40 GJAB CCCCC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 44197610 VRTIPYGJYHPEKN-MRXNPFEDSA-N 381.472 4.949 0 40 GJAB Cc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC3)c2c1 49421522 FOGIEIPOPCIEQA-UHFFFAOYSA-N 386.904 4.630 0 40 GJAB CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2nncs2)cs1 54913759 JSRSGDVNKHRISD-UHFFFAOYSA-N 382.923 4.625 0 40 GJAB Cc1nc(C)c(C(=O)NCC2(c3ccc(Cl)cc3Cl)CCOCC2)s1 55762347 MSHPNQRDYJAMEP-UHFFFAOYSA-N 399.343 4.545 0 40 GJAB Cc1ccc(-n2nc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1 64949590 OYJCLGBSBTVFCL-UHFFFAOYSA-N 398.397 4.550 0 40 GJAB CCCc1nc([C@@H](Nc2ncnc3c2oc2ccccc23)c2ccccc2)no1 84759030 LKNMTCFUWLHCLI-SFHVURJKSA-N 385.427 4.913 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3ncccc3C(F)(F)F)sc2C)cc1 95983251 TUOKDEDBHSRJOO-UHFFFAOYSA-N 393.390 4.793 0 40 GJAB COc1cccc(C(=O)N2N=C(c3cccs3)C[C@H]2c2cccc(OC)c2)c1 97165205 VWGOCJNSXUPALH-FQEVSTJZSA-N 392.480 4.757 0 40 GJAB COc1ccc(-c2c(NC(=O)C3CCCCC3)oc3ccccc3c2=O)cc1 101192117 FCDZGOUTTWQBGU-UHFFFAOYSA-N 377.440 4.987 0 40 GJAB biogenic C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1[C@@H](C)CCC[C@@H]1C 108852548 UNHYISUNSMWEAB-FHWLQOOXSA-N 379.500 4.540 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219322128 IRDCNQWKKRDTQR-SJORKVTESA-N 391.895 4.782 0 40 GJAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Br)cc2)cc1C 223449885 GOCSQNKHUIAUFK-OAHLLOKOSA-N 376.294 4.631 0 40 GJAB Cc1ccccc1OC[C@H](C)NC(=O)CSCc1ccc(Cl)cc1F 223977787 CHKKKVRCPYQNMI-AWEZNQCLSA-N 381.900 4.604 0 40 GJAB CCN(C(=O)c1c(-c2ccc(Cl)cc2)noc1[C@H](C)O)C1CCCCC1 253408734 YSCMSIXZXRNLKM-ZDUSSCGKSA-N 376.884 4.843 0 40 GJAB biogenic,in-vitro COc1cccc([C@H]2C[C@@](C)(NC(C)=O)C[C@@H](c3cccc(Cl)c3)O2)c1O 257269308 MPKOJSKEDRXDSK-ZVDOUQERSA-N 389.879 4.542 0 40 GJAB O=Cc1cc(Br)c(Sc2nnc(-c3ccc(Cl)cc3)o2)o1 408553804 QPMGSLRNFOHEMJ-UHFFFAOYSA-N 385.626 4.709 0 40 GJAB Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)c(Br)cc2C)cc1 408645351 LELOJWDGODLYDJ-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB OCC[C@H](Nc1ncnc2[nH]c3cc(F)ccc3c12)c1ccc(Cl)c(F)c1 630062701 BFVHBFKLFDSHNI-HNNXBMFYSA-N 388.805 4.578 0 40 GJAB O=C(O)[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 1535647249 GZNUBPKODNRXPQ-XCGNWRKASA-N 391.467 4.511 0 40 GJAB Cc1nc(N(CCN(C)C)Cc2ccco2)c2cc(-c3ccccc3)sc2n1 1639604320 UOCPHIQMWSMBDC-UHFFFAOYSA-N 392.528 4.828 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4C)c(N)c3cc2C1 661935 CHLFIBYULZWDEB-CYBMUJFWSA-N 395.528 4.963 0 40 GJAB Cc1[nH]c2c(C)ccc(F)c2c1CCNC(=O)c1ccc(Br)cc1 719088 HQCPQPWREIXMHM-UHFFFAOYSA-N 389.268 4.659 0 40 GJAB biogenic,in-vitro Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc2ccccc2c1 812120 GMPBARKBPMGOAJ-UHFFFAOYSA-N 399.479 4.875 0 40 GJAB Cc1c(OCc2ccc(Br)cc2)ccc2c3c(c(=O)oc12)CCC3 943983 UXCUNXABONWSSC-UHFFFAOYSA-N 385.257 4.932 0 40 GJAB CC(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2Cl)nc1C 1903806 MQNLMLBLPURVKR-UHFFFAOYSA-N 387.288 4.759 0 40 GJAB COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccccc3)n2)cc1OC 2496464 DMHOKSIQIRSGNW-UHFFFAOYSA-N 389.377 4.792 0 40 GJAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1F 3235443 WWKOHIMGEZXSCY-UHFFFAOYSA-N 376.598 4.581 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 3242276 XOBZILOPUNGSCA-UHFFFAOYSA-N 389.854 4.781 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)c1C 3268408 UPPFHALQASZGEX-UHFFFAOYSA-N 376.456 4.518 0 40 GJAB CC(C)c1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)cc1 3291037 BTMBUGQYOZHXJI-UHFFFAOYSA-N 380.271 4.841 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)c2ccccc2n1 4240479 DGSHGDZNRAGSCB-LIRRHRJNSA-N 377.513 4.613 0 40 GJAB O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2)o1 4496878 FQDSRGPYQAUSGE-UHFFFAOYSA-N 377.828 4.650 0 40 GJAB O=C1c2ccccc2C(c2ccc(O)cc2)(c2ccc(O)cc2)c2cc(O)ccc21 4692322 JNOJCKISCDAZHR-UHFFFAOYSA-N 394.426 4.731 0 40 GJAB CCc1nc2sc3c(c2c2nnc(SCc4cccnc4)n12)CC[C@@H](C)C3 4848070 NCHRVDCTPGCBCK-GFCCVEGCSA-N 395.557 4.714 0 40 GJAB CCCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccco1 4861130 MMEGUXPBYDYEGN-UHFFFAOYSA-N 384.505 4.686 0 40 GJAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2c[nH]c3ccccc23)n1 6009404 IAVXLISVFWTEKF-UHFFFAOYSA-N 398.875 4.590 0 40 GJAB CCOc1ccc2nc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)sc2c1 6048408 BDIPQGYIXMVNHL-UHFFFAOYSA-N 388.317 4.643 0 40 GJAB O=C(c1cc(Cl)c2ccccc2n1)N1CCN(c2cccc(Cl)c2)CC1 6277063 HDMJXQQEXSZKRA-UHFFFAOYSA-N 386.282 4.504 0 40 GJAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 6570349 BSXQNDXBDANCON-INIZCTEOSA-N 397.544 4.591 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Br)o1 6612435 MEHVONZGZDJCBX-NWDGAFQWSA-N 394.265 4.740 0 40 GJAB CCCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 6629000 ILBNUNZGAXBTPG-UHFFFAOYSA-N 394.544 4.560 0 40 GJAB CCc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)s1 7392456 TZYRHFZJHAALAI-UHFFFAOYSA-N 383.542 4.803 0 40 GJAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(NC3CC3)s2)cc1 7577709 GRYQLDUMLFEUCL-UHFFFAOYSA-N 382.514 4.657 0 40 GJAB c1ccc(Cn2c(SCCOc3ccccc3)nnc2-c2ccco2)cc1 7779068 NWTQXMMCDKBYRM-UHFFFAOYSA-N 377.469 4.758 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)cc1 7928669 RHMOQBZFUWLYCM-OAQYLSRUSA-N 385.463 4.544 0 40 GJAB CC[C@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2F)n(C)c1=S 8186505 VBYMDKSKXUZOJX-INIZCTEOSA-N 388.537 4.786 0 40 GJAB CN(Cc1cccs1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 8191953 WMUNXJLISFXECX-UHFFFAOYSA-N 379.510 4.935 0 40 GJAB CCCCn1c(S[C@H]2CCCCNC2=O)nc2cc(C(F)(F)F)ccc21 11419165 TUZKKINZEQSUOM-HNNXBMFYSA-N 385.455 4.616 0 40 GJAB O=C(Nc1ccc(SCc2ccc(C(F)(F)F)cc2)nn1)c1ccco1 11739284 ANHKRCCHBGNEJV-UHFFFAOYSA-N 379.363 4.633 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 12579034 AYTZQXAKANHZEL-FQEVSTJZSA-N 377.488 4.737 0 40 GJAB CC(C)c1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 12769294 NHZBNQKGGKZMBG-UHFFFAOYSA-N 395.528 4.558 0 40 GJAB O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)Nc1ccccc1F 13608515 ACQNTJBRJXVALP-UHFFFAOYSA-N 377.423 4.527 0 40 GJAB O=S(=O)(NCCCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 13612421 FWODMGDNKHEEDB-UHFFFAOYSA-N 378.708 4.558 0 40 GJAB COc1ccccc1C1(NCc2ccccc2OC[C@H]2CCCO2)CCCC1 13998201 GMPJUJHVSFMRQG-HXUWFJFHSA-N 381.516 4.812 0 40 GJAB COc1ccccc1[C@H]1CC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C1 14163856 BDZUVBYGVYRNKN-QGZVFWFLSA-N 383.451 4.626 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3F)c12 14204940 IFICJROYLWPQPG-UHFFFAOYSA-N 390.212 4.563 0 40 GJAB CCCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)c2ccccc12 16780193 SCWXUEPTSVOZIY-UHFFFAOYSA-N 389.904 4.761 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1C 22523173 FXLXGDFVXMNFBC-INIZCTEOSA-N 377.937 4.774 0 40 GJAB CCOc1ccc2ccccc2c1C(=O)NCC1(c2cccs2)CCOCC1 23238165 RVHADCMSOJQCIA-UHFFFAOYSA-N 395.524 4.778 0 40 GJAB COc1ccc(-c2nsc(NC(=O)c3cccc4ccccc34)n2)cc1OC 27794693 RRXPLUCIAPTTSN-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccccc4Br)no3)ccc2O1 28286980 PUJWXVJNOKPPCX-NSHDSACASA-N 399.244 4.680 0 40 GJAB Cc1ccc2c(CC(=O)Nc3cccc(OC[C@H]4CCCO4)c3)coc2c1C 32776632 WNBZYXNXGKAFEW-HXUWFJFHSA-N 379.456 4.789 0 40 GJAB CCOc1ccc2nc(NC(=O)c3cnc4onc(C(C)C)c4c3)sc2c1 32871955 LMSUXLQAWKGRRG-UHFFFAOYSA-N 382.445 4.607 0 40 GJAB C[C@H](NC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1 32931947 BXJNYTCIYBOTSQ-BLLLJJGKSA-N 397.828 4.600 0 40 GJAB Cc1cc(C)c2[nH]c(CSCC(=O)Nc3cccc(Cl)c3)cc(=O)c2c1 33064052 SXHPLQRUQUSCHI-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB CCCOc1ccc(CNC(=O)c2ccc(Br)cc2)cc1OCC 33633510 RPGOHGLDKQEAKR-UHFFFAOYSA-N 392.293 4.567 0 40 GJAB CCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 34152748 XCLXGCQTGNGHJQ-SNVBAGLBSA-N 389.757 4.877 0 40 GJAB Cc1ccccc1NC(=S)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 34387766 VRLCIZMQEFOIJA-YVNJGZBMSA-N 381.589 4.587 0 40 GJAB O=C(Nc1nc2ccccc2s1)C1CCN(c2nc3ccccc3s2)CC1 35314152 PQPNPBQNWJHDSA-UHFFFAOYSA-N 394.525 4.761 0 40 GJAB CCCCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 39762936 MEUGXINNZTYVFZ-UHFFFAOYSA-N 380.473 4.586 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cccc(N4CCOC4=O)c3)n2)cc1C 40128929 VCJLSPOWXMQFOO-UHFFFAOYSA-N 393.468 4.636 0 40 GJAB COc1cccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c1OC 49550117 IVGIRWGKIZWJGX-OAHLLOKOSA-N 397.862 4.726 0 40 GJAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NCCc1nccs1 50451680 FWRHVCHXQDKHJH-UHFFFAOYSA-N 393.487 4.722 0 40 GJAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)CC1 64875513 KFXWLCIGAYWHLL-UHFFFAOYSA-N 396.413 4.605 0 40 GJAB O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1Cl 67293294 LNBMDZLZYDRQPU-FLFQWRMESA-N 391.814 4.672 0 40 GJAB Cc1sc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc1-c1ccc(Cl)cc1 95947215 RTBWJPCTHXETCS-UHFFFAOYSA-N 399.903 4.726 0 40 GJAB COCc1nc(NC[C@H](O)c2cccs2)c2c(-c3ccccc3)csc2n1 95960599 VONAPHSCVMUKJL-HNNXBMFYSA-N 397.525 4.712 0 40 GJAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)c1 216033685 DTPDOZYORPQHMB-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 222905100 LWWSWOPXAUEFSV-LSDHHAIUSA-N 396.379 4.534 0 40 GJAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1 223784271 OZHINMHXDGFRPT-MOPGFXCFSA-N 381.526 4.719 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 223860504 BEAOIXWMIOLTMI-HZPDHXFCSA-N 385.504 4.646 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C(C)C 225012779 FLHFNZYJZFRAHN-NHCUHLMSSA-N 382.577 4.996 0 40 GJAB COc1cc(C)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C(C)C 225659842 QAAQEZLQDFFNDH-UHFFFAOYSA-N 386.923 4.743 0 40 GJAB Cc1ccc(-c2cccc(N[C@H](c3cccc(OC(C)C)c3)[C@H](O)[C@H](C)O)c2)o1 257307442 SYQYHMHKKROUIH-PKKBDPGCSA-N 395.499 4.937 0 40 GJAB Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(Cc3c[nH]c4ccccc34)C2)n1 257320993 VZQKIPKYPXYBCQ-SFHVURJKSA-N 386.499 4.899 0 40 GJAB CCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccccc1 408560925 FRTGVIWGKXUHBZ-FCQUAONHSA-N 396.512 4.557 0 40 GJAB CCCCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccccc1 408568362 SXUZMRGTFRTEOC-UHFFFAOYSA-N 391.261 4.668 0 40 GJAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Br)cn1 408621940 MYNRFPQBPPCOBC-UHFFFAOYSA-N 389.293 4.909 0 40 GJAB CC(C)Oc1ccc2c(c1)[C@H](NC(=O)CCc1ncc(C(C)(C)C)o1)CCC2 585079948 NQIQDJKXRZISAO-LJQANCHMSA-N 384.520 4.886 0 40 GJAB O=C(C[C@H]1CC2(CCN(CC3CCCCC3)CC2)Oc2ccccc21)NC1CC1 1201390484 WEJLKSJVQAKNNZ-FQEVSTJZSA-N 396.575 4.636 0 40 GJAB Clc1cnc2nc(C3CCN(C[C@@H]4OCCc5ccccc54)CC3)ccc2c1 2086896542 LHSQIGOBYAJLFX-QFIPXVFZSA-N 393.918 4.777 0 40 GJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 781491 IQKQYGJLNSEVIS-UHFFFAOYSA-N 394.544 4.545 0 40 GJAB Cc1cccc2cc(CN(C(=O)c3ccc(F)cc3)C3CCCC3)c(=O)[nH]c12 1346716 PXXSLAISNXTSCX-UHFFFAOYSA-N 378.447 4.561 0 40 GJAB Cc1ccc2c(SCC(=O)N3CCCCC3)nc(-c3ccc(F)cc3)nc2c1 1367867 XCNNTTNSBOMLKM-UHFFFAOYSA-N 395.503 4.849 0 40 GJAB Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 1400382 FSDLBGHLOCUMTN-UHFFFAOYSA-N 385.872 4.734 0 40 GJAB O=C(COC(=O)/C=C/c1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1 3300489 PAILVEKFDBJTND-MDWZMJQESA-N 398.890 4.525 0 40 GJAB CCOc1ccc(C(=O)CSc2nnc(Nc3ccccc3C)s2)cc1 3318199 FGFKZMAAZODADL-UHFFFAOYSA-N 385.514 4.964 0 40 GJAB COc1ccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc2c1 4273275 SCYQQPSUEHEEPI-UHFFFAOYSA-N 381.501 4.813 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccccc3SC)n2)c(OC)c1 4517407 XZXDZPIMTUANIM-UHFFFAOYSA-N 386.498 4.802 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(F)c(F)c4)c(N)c3cc2C1 4620048 LOEHLAZJLCNSQB-SNVBAGLBSA-N 387.455 4.924 0 40 GJAB Cc1cc(NC(=O)c2cc3ccccc3o2)cc(-c2nc3ncccc3o2)c1O 4736810 AGXRJKFWNWTGDD-UHFFFAOYSA-N 385.379 4.902 0 40 GJAB C[C@@H](NC(=O)COc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 5445180 SOHHHFBZPZCLGV-XXWNAHEMSA-N 392.337 4.549 0 40 GJAB C[C@H]1CCc2sc(-c3nnc(SCc4cn5ccccc5n4)o3)cc2C1 6105972 WYZDGBGJZLJPIJ-LBPRGKRZSA-N 382.514 4.863 0 40 GJAB COc1ccc(C(=O)Sc2nnc(-c3cccs3)n2-c2ccccc2)cc1 6588630 IQVHZHUWAVRVIL-UHFFFAOYSA-N 393.493 4.937 0 40 GJAB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2cc(C)cc(C)c2)cc1 6825771 QUIUDCGUDJSNHU-UHFFFAOYSA-N 393.483 4.877 0 40 GJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccccc1Cl 7759875 SVOJQAFFLLMZIS-DHZHZOJOSA-N 388.254 4.715 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccccc2F)CC1 9063480 DZWBSOQNVIVJJQ-UHFFFAOYSA-N 380.385 4.695 0 40 GJAB CC(C)[C@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 9791627 FSDRMXCGHBXAAG-FQEVSTJZSA-N 388.895 4.650 0 40 GJAB COc1ccccc1-n1c(SCc2ccccn2)nnc1-c1cccs1 10395750 KJKDYBFQYZVPSA-UHFFFAOYSA-N 380.498 4.692 0 40 GJAB O=C(CCn1c(-c2ccc(F)cc2)n[nH]c1=S)Nc1ccc(F)c(Cl)c1 10490092 MEUWFWNJUASMPF-UHFFFAOYSA-N 394.834 4.568 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(F)cc(F)c3)c12 10491501 YTUYEWDOOFRTLP-UHFFFAOYSA-N 383.329 4.868 0 40 GJAB Cc1cc(C(=O)N(C)Cc2cccc(Cl)c2Cl)c2cnn(C(C)C)c2n1 10964110 VQXKLFHWDUCEIN-UHFFFAOYSA-N 391.302 4.900 0 40 GJAB CC[C@H](C(=O)Nc1cc(C)nn1CC1CCCCC1)n1cnc2ccccc21 12148453 HRNMHBQKIQTPGR-LJQANCHMSA-N 379.508 4.711 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCCSc2ccccc21 12562906 NYTOZZRKMVIJSR-OAHLLOKOSA-N 397.569 4.818 0 40 GJAB COc1cc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc(Cl)c1OC 12760897 VRWYQMJXGOPDNZ-CMDGGOBGSA-N 383.875 4.686 0 40 GJAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(CN2CCCCC2)cc1 12787379 IOQVTYAMGKTVOC-UHFFFAOYSA-N 392.421 4.501 0 40 GJAB Cc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1Cl 12855061 TXLSSWBTOLFETA-CSKARUKUSA-N 382.891 4.539 0 40 GJAB CCOc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 12874915 QWVJZHKGDWWDDA-HOIFWPIMSA-N 384.495 4.627 0 40 GJAB CN(Cc1cccc(F)c1)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12907386 XFLJOTXOGRWNEH-UHFFFAOYSA-N 387.414 4.815 0 40 GJAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 17823027 PUKUKRSJLWIPPS-IBGZPJMESA-N 399.494 4.921 0 40 GJAB CN1CCN([C@H]2Cc3ccc(F)cc3Sc3cc(F)c(Cl)cc32)CC1 19802394 FAPGOSVHYQLFEO-KRWDZBQOSA-N 380.891 4.614 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1C)N(c1ccc(C)cc1)C(=O)C2 19880497 WNTASCPSLOCHCZ-RUZDIDTESA-N 387.479 4.999 0 40 GJAB CCN(CC)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3Cl)o2)C1=O 20266010 GJAKKWITKHYLOY-GZTJUZNOSA-N 390.892 4.936 0 40 GJAB Cc1cc(C)cc(Oc2cc(SCC(=O)Nc3ccccc3C)ncn2)c1 21657617 WPWBGTGJYZRTTL-UHFFFAOYSA-N 379.485 4.925 0 40 GJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 25712354 OLAFRNLROZEEQY-NRFANRHFSA-N 396.922 4.681 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCCCCC1 27662744 FFZDOSOAGNJIII-GOSISDBHSA-N 376.953 4.678 0 40 GJAB CC(=O)Nc1ccc(OC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 32905424 WEDYGXFNXUTBQB-UHFFFAOYSA-N 393.826 4.749 0 40 GJAB O=C(CCC(=O)N1CCC[C@H]1c1cccs1)c1ccc(Br)cc1 32988703 HVBGZOKICYBTEP-HNNXBMFYSA-N 392.318 4.837 0 40 GJAB COc1cc(CO)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 34772890 YPERZIHNULIXGM-UHFFFAOYSA-N 392.076 4.836 0 40 GJAB Cc1ccc(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2cccc(C)c2)cc1 35562332 KLLWCFTWTMNKJX-UHFFFAOYSA-N 397.478 4.967 0 40 GJAB CCn1ncc(-c2cc(C(F)F)nc(NCc3ccc(Cl)cc3)n2)c1C 36614156 MLEBVDGSARAJAI-UHFFFAOYSA-N 377.826 4.872 0 40 GJAB CCc1cc(C(=O)Nc2cccc(F)c2)c2c(C)nn(Cc3ccccc3)c2n1 36621687 AHUAGQPENJZABZ-UHFFFAOYSA-N 388.446 4.742 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 44790675 DNGLBWDRWZVESE-UHFFFAOYSA-N 391.298 4.991 0 40 GJAB Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c1 46079055 SKXMBMCXXMNCEQ-UHFFFAOYSA-N 388.442 4.979 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C3CC3)[C@@H](C)C3CC3)c12 48303206 PZAHBSDMISGXAY-AWEZNQCLSA-N 380.536 4.775 0 40 GJAB O=C(O)/C(=C/c1ccc(Br)s1)Sc1nc2ccccc2[nH]1 50547942 FLGBMVZHDSPVMM-XFFZJAGNSA-N 381.276 4.605 0 40 GJAB CCc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 57315453 ULYZOGNLQJBJFZ-UHFFFAOYSA-N 399.538 4.824 0 40 GJAB COc1ccc2cc([C@H](C)C(=O)Nc3nc4c(s3)C(=O)CCC4)ccc2c1 58223213 DIJJTHPNGAQXBC-LBPRGKRZSA-N 380.469 4.566 0 40 GJAB Cc1noc(Cl)c1CCC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 62581452 DHTHAEXOTGUZHT-MRXNPFEDSA-N 382.891 4.906 0 40 GJAB Cc1nccc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)n1 84290728 DIROZZJLDQDGRP-UHFFFAOYSA-N 375.215 4.531 0 40 GJAB Cc1nn2c(=N)c(-c3ccc(Br)cc3)c[nH]c2c1-c1ccccc1 105893541 BDTLBILCSRANJN-UHFFFAOYSA-N 379.261 4.547 0 40 GJAB COc1ccc(OC)c(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 106685514 RBXWKFKOSZCCPB-YVLHZVERSA-N 389.860 4.594 0 40 GJAB Cc1cc(=O)c(C2=Nc3ccccc3S[C@H](c3ccccc3O)C2)c(O)o1 137818602 VAVQDOVUHLLCCN-IBGZPJMESA-N 379.437 4.717 0 40 GJAB COc1ccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1Cl 170569255 VCOJQCMRPGZHQF-UHFFFAOYSA-N 382.851 4.751 0 40 GJAB O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCOc2ncccc21 177254106 GBVSVJFHOUMKIY-UHFFFAOYSA-N 392.267 4.551 0 40 GJAB CC[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(OC)c(C)c1 222622401 BUNJAFDLDFAPKR-SFHVURJKSA-N 375.896 4.920 0 40 GJAB COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2SC)cc1Cl 223438004 GUXBQWJEHQCRIF-UHFFFAOYSA-N 378.302 4.525 0 40 GJAB CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 224934167 NKOBBVWYJULXEY-UHFFFAOYSA-N 394.707 4.871 0 40 GJAB Cc1cc(N2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc(C)n1 257312641 UOXSTLSBZVWHJW-HXUWFJFHSA-N 376.479 4.602 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)c(C)c1 408668975 RNXFMNWDEOXOLA-HXUWFJFHSA-N 385.463 4.929 0 40 GJAB CN(C)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1cc2ccccc2o1 575620535 KOTRALLYRNQLKB-MRXNPFEDSA-N 391.393 4.876 0 40 GJAB O=C(NC1(Cc2ccc(Cl)cc2)CCC1)c1ccc(Br)cc1 1595783737 UFONUICUGSCYRP-UHFFFAOYSA-N 378.697 4.998 0 40 GJAB Cc1cc(OC[C@@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)ccn1 1775971853 VUAINFNAUSTXOY-OAHLLOKOSA-N 393.409 4.732 0 40 GJAB c1cc(C2=N[C@@H]3c4ccccc4C[C@@H]3O2)cc(C2=N[C@@H]3c4ccccc4C[C@@H]3O2)c1 1988187875 SAJMZFXDNXCYAW-CJRSTVEYSA-N 392.458 4.572 0 40 GJAB O=C(Cn1c2ccccc2n2nc(-c3ccccc3)nc12)c1ccc(Cl)cc1 729061 KJOIGXZDLDGMBS-UHFFFAOYSA-N 386.842 4.887 0 40 GJAB C[C@H](NC(=O)COC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 2647000 HORXYHQOCPEIIT-IBGZPJMESA-N 387.479 4.506 0 40 GJAB CCn1c(CSc2ncnc3sc(C)c(C)c23)nc2cc(C(=O)O)ccc21 2659400 ZZUBOCQIVRCQGP-UHFFFAOYSA-N 398.513 4.668 0 40 GJAB O=c1c2ccccc2nc(SCc2cccnc2)n1CCC1=CCCCC1 3052084 NCYFJZDFILTLTC-UHFFFAOYSA-N 377.513 4.974 0 40 GJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1ccc(Cl)cc1 3216472 GYUQZYVMPQUIJF-UHFFFAOYSA-N 394.858 4.563 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1 3229899 FWAQWPKOVJQEFY-UHFFFAOYSA-N 378.457 4.566 0 40 GJAB O=C(COC(=O)c1c(F)cccc1Cl)Nc1ccc(SC(F)F)cc1 3231702 HIJTXDFVLJFYBU-UHFFFAOYSA-N 389.782 4.589 0 40 GJAB Cc1ccccc1-n1nc2c(c1NC(=O)c1c(F)cccc1Cl)CSC2 4176107 TVLZFFYAPGGSNS-UHFFFAOYSA-N 387.867 4.972 0 40 GJAB CCCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2cc(C)ccc12 4895161 QULUWRVVPKEVPG-UHFFFAOYSA-N 383.492 4.753 0 40 GJAB CCC(=O)Nc1ccc(C(=O)CSc2nc(C)c(C)n2C2CCCC2)cc1 5090091 XGFGPPGBAGZSDW-UHFFFAOYSA-N 385.533 4.939 0 40 GJAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1cccs1 5500905 RPGASFVGBMBKCI-XJABCFGWSA-N 385.529 4.655 0 40 GJAB O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2c1cnn2-c1nc2ccccc2s1 6764471 MINYJPWFMHJKLS-LBPRGKRZSA-N 381.407 4.673 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(C4CC4)n3C)cc2)cc1 7235556 VCYXGMAPORHEMX-UHFFFAOYSA-N 394.500 4.524 0 40 GJAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(Oc2ccccc2)cc1 8285228 MEINSXXNFFOAQL-UHFFFAOYSA-N 394.858 4.843 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(Cl)c1 8369843 LJXYOVVSICHZTQ-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1cnn(-c2ccccc2)n1 9740466 HBDIDEYYMNLCRD-UZUQRXQVSA-N 395.466 4.595 0 40 GJAB O=C(Cc1ccc(Cl)cc1Cl)NCc1csc(-c2ccccc2)n1 10213135 VRHYIVWWVAHIIA-UHFFFAOYSA-N 377.296 4.976 0 40 GJAB C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1 10219593 HOVULYZGDJFOLT-MRXNPFEDSA-N 386.430 4.564 0 40 GJAB O=C(CCc1nc2ccccc2[nH]1)Nc1nc(-c2c[nH]c3ccccc23)cs1 10894760 KDQGSKMDTDAHNA-UHFFFAOYSA-N 387.468 4.739 0 40 GJAB O=C(c1ccc(SC(F)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 11202009 FVECXOATOKTZSK-INIZCTEOSA-N 391.439 4.750 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)n3cccc/c3=N\C(C)C)cccc2c1=O 11374435 NTLYUWLLFXTRNO-YYADALCUSA-N 398.462 4.568 0 40 GJAB CC[C@H](CC(=O)N1CCC(O)(c2ccc(C)cc2)CC1)c1c[nH]c2ccccc12 12205511 GKYLUJQNBXXWHY-LJQANCHMSA-N 390.527 4.870 0 40 GJAB C[C@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(F)cc1 12550819 AUWLBXHPQLRCKO-AWEZNQCLSA-N 379.460 4.622 0 40 GJAB Cc1cc(C)c(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c(C)c1 12971717 CHSAEYVDGRNRQZ-UHFFFAOYSA-N 389.499 4.691 0 40 GJAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)cc1 13709709 OGQLYENFHTUXQT-ZDUSSCGKSA-N 384.328 4.810 0 40 GJAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 13710551 FAGISLDSBISKOT-OAHLLOKOSA-N 395.927 4.913 0 40 GJAB COc1ccccc1CNc1nc(-c2ccc3c(c2)CCN3C(C)=O)c(C)s1 14102597 XKIPJLOXLXUWTR-UHFFFAOYSA-N 393.512 4.648 0 40 GJAB CCOC(=O)c1cccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 14291418 IUBUHKRGPFCTGM-UHFFFAOYSA-N 381.472 4.929 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccccc2I)cc1 14429718 NNUOVGNWIUWMLE-UHFFFAOYSA-N 395.240 4.722 0 40 GJAB O=C(/C=C/c1ccc(Br)s1)Nc1nc(-c2ccccn2)cs1 14688902 AEVXRBCMUQQLAD-FNORWQNLSA-N 392.303 4.681 0 40 GJAB CCC(=O)c1ccc(OCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 16298681 IEVZJCHIVUSMAX-KRWDZBQOSA-N 389.904 4.665 0 40 GJAB CCc1c(C)nc(SCc2nc(-c3ccc(Cl)cc3)oc2C)nc1O 16840805 UZWFEYZBIBINSH-UHFFFAOYSA-N 375.881 4.962 0 40 GJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Br)cc2C)c1 17077144 WFBDSPLMIGNUCY-UHFFFAOYSA-N 377.307 4.501 0 40 GJAB CC(C)COc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1 17080630 PCNGHIWVYDAXOG-UHFFFAOYSA-N 394.496 4.707 0 40 GJAB CC(C)[C@H](NC(=O)c1ccccc1I)c1ccc(F)cc1 18136218 CGEFRPSDNSBKQJ-INIZCTEOSA-N 397.231 4.557 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC 18238729 DXUNCMAVGICWPF-UHFFFAOYSA-N 379.412 4.757 0 40 GJAB COc1cccc(CN2CCC(c3nnc(-c4sccc4C)o3)CC2)c1OC 19238728 PUKAWZZCQJWQEJ-UHFFFAOYSA-N 399.516 4.503 0 40 GJAB COc1ccc2c(c1)C=C(CN[C@@H](Cc1ccsc1)c1nccs1)CO2 19562291 KBYMPRSIQACAHY-SFHVURJKSA-N 384.526 4.563 0 40 GJAB COc1ccccc1CC(=O)N1CCC[C@H]1c1cc(-c2ccccc2)cc(C)n1 19690736 QXOPHMRVFYGUIN-QHCPKHFHSA-N 386.495 4.972 0 40 GJAB CC(=O)c1ccc(OC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)cc1 22517236 BRCSAIXVOYOZEM-UHFFFAOYSA-N 392.436 4.990 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 22527043 PTYCQVNDHJLTCG-FQEVSTJZSA-N 388.964 4.555 0 40 GJAB Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)O)cc21 35067228 XAAPQRFIXGDKPZ-UHFFFAOYSA-N 398.619 4.570 0 40 GJAB Cc1ccccc1NC(=O)CSc1nnc2c(n1)-c1cccc3cccc-2c13 35291165 SJFBWQFGDGXYAV-UHFFFAOYSA-N 384.464 4.711 0 40 GJAB O=C(NCc1ccccc1Cn1cccn1)Nc1ccccc1Cc1ccccc1 40024060 WATYFCWPUFTKEG-UHFFFAOYSA-N 396.494 4.844 0 40 GJAB Clc1ccc(-c2noc(CCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 41097919 HBWLWAFCMKCLFS-UHFFFAOYSA-N 387.226 4.879 0 40 GJAB Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCc3ccccc32)c1C(F)(F)F 46179685 QRKQUTUBOFRHKK-KRWDZBQOSA-N 385.389 4.617 0 40 GJAB CC[C@@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487287 QAWIERLBFVDTFL-QGZVFWFLSA-N 398.894 4.650 0 40 GJAB O=C1OC(c2ccccc2F)=N/C1=C/c1cccc(OCc2ccc(F)cc2)c1 59194909 AMLKWYIKAUWEQN-FYJGNVAPSA-N 391.373 4.888 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1C 59227366 MUTQFEYACFMVSE-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 60461668 INPGPZKXLXYTPJ-RTBURBONSA-N 398.572 4.883 0 40 GJAB CC(C)C[C@H](NC(=O)C(=O)Nc1ccc2oc(C(C)C)nc2c1)c1ccccc1 89821032 YRNRLXXDYGGZNN-SFHVURJKSA-N 393.487 4.793 0 40 GJAB CC(C)c1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1 98211317 CCAXZYOXVKVYKR-UHFFFAOYSA-N 386.455 4.967 0 40 GJAB O=C(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 98212180 SGJBRODRSISASF-MRXNPFEDSA-N 389.789 4.646 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 103245617 YRWRIRXTNBTXFS-DOERSZECSA-N 376.859 4.997 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)COc1ccc(C(C)C)cc1)CC(C)(C)O2 218962822 SJPXKCZLWLREKU-HXUWFJFHSA-N 383.488 4.616 0 40 GJAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)c1 224295257 FHZCFGXEAXQFAM-RTWAWAEBSA-N 376.529 4.522 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccc(OC)cc1 225490387 UNFOTKCFJGIIBW-LJQANCHMSA-N 397.544 4.568 0 40 GJAB COc1ccc(CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225557654 AHVHJXXTEVZYPL-UHFFFAOYSA-N 384.545 4.936 0 40 GJAB O=C(Cc1cccc(Br)c1)NCCCc1cccc2ccccc12 225623370 YEXFSXFXWRRYGI-UHFFFAOYSA-N 382.301 4.894 0 40 GJAB CCOC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225679166 UYJAXLSLOJULOU-GOSISDBHSA-N 398.528 4.761 0 40 GJAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)c1csc2ccccc12 225694588 FJXSNVBLCNPGFK-QGZVFWFLSA-N 393.430 4.703 0 40 GJAB O=C(c1ccccn1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257278470 OCKHDQQSQFTONM-LJQANCHMSA-N 381.863 4.681 0 40 GJAB CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 408626949 JPVFWFVGMAALJW-UHFFFAOYSA-N 380.256 4.635 0 40 GJAB CCN(CC)c1nc(Nc2ccc(Cl)cc2)nc(=Nc2cc(C)ccc2C)[nH]1 408719863 GUHAJYRVYFMZMX-UHFFFAOYSA-N 396.926 4.897 0 40 GJAB CCOC(=O)N[C@H](CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 408979133 LMXBIDNFSCRCBJ-OAHLLOKOSA-N 381.259 4.809 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 553038092 RJOXLEGNHCCZBK-LFEPYJTBSA-N 397.518 4.974 0 40 GJAB Nc1c2c(nc3c1cnn3-c1ccccc1)C[C@@H](c1cccc(Cl)c1)CC2=O 584906318 YETGNAXJFQPDGN-CQSZACIVSA-N 388.858 4.569 0 40 GJAB O=C(Nc1ccccc1F)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 919322 BNKUPZYYAVXBDX-DOMZBBRYSA-N 394.328 4.528 0 40 GJAB Cc1csc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)n1 1357921 QNBQBRQBBFAALQ-UHFFFAOYSA-N 392.575 4.927 0 40 GJAB Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)Nc2ccc(F)cc2)C3)cc1 1377608 JTZUTCPNERHURW-VXKWHMMOSA-N 381.495 4.841 0 40 GJAB COc1ccc(-c2cc(NC=O)n(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1 1405053 JKIRCCFXQDXJLZ-UHFFFAOYSA-N 390.468 4.548 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 1980275 DEGHBOASKPOBHY-INIZCTEOSA-N 384.545 4.819 0 40 GJAB Cc1ccc2c(C)nc(Nc3ncc4c(n3)C[C@H](c3ccccc3)CC4=O)nc2c1 2395426 KYVDADXMOBTYJV-KRWDZBQOSA-N 395.466 4.693 0 40 GJAB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1 2419937 KAPUSPGFDDFXQT-UHFFFAOYSA-N 385.471 4.924 0 40 GJAB CC1(C)COC(CCCC(=O)c2ccc(Cl)c(Br)c2)OC1 2518167 HTIWLMHMBRSJQD-UHFFFAOYSA-N 375.690 4.855 0 40 GJAB CCOP(=O)(OCC)[C@H](O)/C=C(\Cl)c1ccc(Br)cc1 2557655 NDYNANDUTQNCTO-SUIFULHWSA-N 383.606 4.613 0 40 GJAB O=C(OCCN1CCCCC1)c1ccc(COc2cc(Cl)ccc2Cl)o1 2750441 FXKVMDXPYLOKLG-UHFFFAOYSA-N 398.286 4.808 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1c(F)cccc1Cl 3376902 QZEDRYSETAJESE-GLJUWKHASA-N 384.875 4.569 0 40 GJAB COc1ccc(-c2nnc(SCC(=O)c3ccc[nH]3)n2C2CCCCC2)cc1 3416196 WPBCCHFETFUEPC-UHFFFAOYSA-N 396.516 4.762 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4703059 TYSAQNGDCAXRDI-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB Cc1c(CC(=O)N2CCCCC2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 4743887 JYXAGRZDTSWHBD-UHFFFAOYSA-N 381.472 4.700 0 40 GJAB CCOc1ccc(-c2cn3c(CC(=O)Nc4cccc(F)c4)csc3n2)cc1 5147006 IWVBIDBBJPUPFW-UHFFFAOYSA-N 395.459 4.782 0 40 GJAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)c1 5185767 VBYFJVGKRCTMDW-VJTSUQJLSA-N 395.543 4.881 0 40 GJAB COc1cc(C(=O)O[C@@H]2CCCCC2=O)ccc1OCc1ccccc1Cl 6640915 AQLQYNLIBYADPH-GOSISDBHSA-N 388.847 4.596 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C(C)C)n2C)c1 6788530 WNTMUOLNCAFNEI-UHFFFAOYSA-N 394.544 4.953 0 40 GJAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 7718793 VTNVRDOBLWHLSH-DNQXCXABSA-N 397.474 4.948 0 40 GJAB C[C@@H](C(=O)NC[C@@H](O)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9420420 DVUPTRVSXBZMLM-JLCFBVMHSA-N 392.886 4.928 0 40 GJAB CSc1ccc(Cl)c(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 9951135 COGOTYUICNHXRE-QGZVFWFLSA-N 378.925 4.612 0 40 GJAB Cc1oc(-c2ccccc2)nc1COC(=O)/C=C/c1ccc(Br)o1 12258167 DNWUTYSDXJZNPL-CSKARUKUSA-N 388.217 4.762 0 40 GJAB CSCC[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1nc2ccccc2[nH]1 12532884 ITEJGIJKBPRIRL-INIZCTEOSA-N 395.862 4.719 0 40 GJAB CN(Cc1ccccc1Cl)C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 12536452 LCGWHTRHCGPTOX-UHFFFAOYSA-N 375.856 4.600 0 40 GJAB CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 12558116 UTRKISLBLADDRM-HTAPYJJXSA-N 380.513 4.663 0 40 GJAB CCN(CC(=O)Nc1c(F)cccc1F)Cc1csc(-c2ccccc2)n1 12803233 PTLOXSIHWAKGGG-UHFFFAOYSA-N 387.455 4.549 0 40 GJAB CCc1cccc(C)c1NC(=O)c1csc(-c2cccc(OC)c2OC)n1 12822278 SWHODSXSNNJVJA-UHFFFAOYSA-N 382.485 4.950 0 40 GJAB COc1ccc([C@H](NC(=O)Cc2csc(-c3ccccc3)n2)C2CC2)cc1 12855670 GKZBTENJDMCLCC-OAQYLSRUSA-N 378.497 4.629 0 40 GJAB O=C(Cc1csc(-c2cccs2)n1)NCc1ccc(OC(F)(F)F)cc1 12901360 ZPZWRMRDRSBCOG-UHFFFAOYSA-N 398.431 4.629 0 40 GJAB O=C(NC[C@@H]1CCCO1)c1sc2cccc(F)c2c1COc1ccccc1 12932406 QUPVDQJIMLSABY-HNNXBMFYSA-N 385.460 4.528 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4cc[nH]c4c3)s2)cc1OC 13731489 QDYWVJJYJNSCCC-UHFFFAOYSA-N 393.468 4.869 0 40 GJAB O=C(NCCc1cccc(Cl)c1)c1ccc(NC(=O)c2cccs2)cc1 14240830 UJKKNSWBRVOIKB-UHFFFAOYSA-N 384.888 4.626 0 40 GJAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(c2cc3ncccc3[nH]2)CC1 19345324 BTFJVIHQGPZNAZ-UHFFFAOYSA-N 388.298 4.818 0 40 GJAB CCCC(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19501332 YZRQACZCRHZVBB-HXUWFJFHSA-N 387.487 4.746 0 40 GJAB Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2CC2CCCCC2)c1C 19558536 NTPJRHNXMYLMFC-IBGZPJMESA-N 383.540 4.532 0 40 GJAB CCCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)c2ccccc12 19943424 OLPJGBJJBFZFJG-UHFFFAOYSA-N 380.469 4.524 0 40 GJAB Cc1ccccc1[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 20492770 YKOGVORXHXVOJB-OAQYLSRUSA-N 385.916 4.857 0 40 GJAB Cc1noc(-c2ccccc2NC(=O)c2cccc(OCc3ccccc3)c2)n1 22463745 UQWVLCZQUIECLS-UHFFFAOYSA-N 385.423 4.876 0 40 GJAB Cc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 22913629 RPDPJEVBBBNHBL-UHFFFAOYSA-N 398.550 4.916 0 40 GJAB CCc1ccccc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 23118970 IWVKARUMMMWCOR-UHFFFAOYSA-N 388.496 4.690 0 40 GJAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 27662513 OJUADLYIVSZNJG-FQEVSTJZSA-N 386.561 4.882 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CCCCCC2)cc1 27795754 FUGTWLHBXXSGCS-OAQYLSRUSA-N 386.923 4.696 0 40 GJAB biogenic Cc1cc(OCC(=O)Nc2noc(-c3cccc4ccccc34)n2)ccc1Cl 32623948 GKGCHVPSOTYSQF-UHFFFAOYSA-N 393.830 4.869 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)cc1 35290914 JFUAEGHBMDOKFT-UHFFFAOYSA-N 379.485 4.687 0 40 GJAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1C 39607150 CHEVIOHQYBZYRU-OAHLLOKOSA-N 397.496 4.604 0 40 GJAB COCCn1c(SCc2cc(=O)oc3cc(C)c(Cl)cc23)nc(C)c1C 47560674 VMDAPGBRRQVHKE-UHFFFAOYSA-N 392.908 4.507 0 40 GJAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1[nH]c2ccc(F)cc2c1Cl 56441288 FEEBFPDHTLDOGL-LJQANCHMSA-N 379.822 4.875 0 40 GJAB CCOc1ccc2cc(CNc3ccc(N4CCC[C@H](C)C4)cc3)c(=O)[nH]c2c1 57712706 KZBJLTQRZFZCCT-KRWDZBQOSA-N 391.515 4.775 0 40 GJAB Cc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1C 64949570 BYFBDRRWUFQUMH-UHFFFAOYSA-N 394.434 4.720 0 40 GJAB Cc1ccc(C(=O)Nc2cc(-c3ccccc3C)nn2Cc2ccccc2)cn1 72035834 MZRDXBUWUFHODU-UHFFFAOYSA-N 382.467 4.863 0 40 GJAB COc1cc(C)ccc1CN1CCC[C@@H]1c1cccc(Nc2nccs2)n1 72375729 IVISQLDUXOXMJM-GOSISDBHSA-N 380.517 4.936 0 40 GJAB C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NCCCOC1CCCCC1 84718131 IXVBJVTXMJNRGH-GOSISDBHSA-N 396.531 4.700 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cc(-c2ccco2)n[nH]1 90593193 JYVFFWVRMMVPGB-UHFFFAOYSA-N 398.875 4.685 0 40 GJAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccc(O)c(Cl)c2)SC1 95475043 YUOKSHGEETZYOG-MRXNPFEDSA-N 391.905 4.776 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2cc(C)nc3ccccc23)c1 95982836 KCTPWXSLUUUATN-NRFANRHFSA-N 391.471 4.929 0 40 GJAB C[C@H](Sc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 96234442 LRRBBSMPTIOLBQ-ZDUSSCGKSA-N 387.892 4.529 0 40 GJAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 100773787 QTTHHWQAKPVMDW-DHIUTWEWSA-N 389.539 4.597 0 40 GJAB C[C@@H]1[C@@H](NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)CCC[C@H]1C 102251787 HHGPQTGILUJUHV-IPYPFGDCSA-N 393.603 4.696 0 40 GJAB CCOC(=O)[C@@H](C(=O)CSc1ccc2ccccc2c1)c1nc(C)cs1 103034689 IFQAWWJLIPAPOT-SFHVURJKSA-N 385.510 4.613 0 40 GJAB C[C@@H](NC(=O)CSCc1ccccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 103122303 FUQCFIAXZNMTAB-KQTLUZQSSA-N 382.367 4.623 0 40 GJAB Cn1c(=O)c(C2=Nc3ccccc3N[C@@H](c3ccco3)C2)c(O)c2ccccc21 104827607 FLLYTOJUHLUQCZ-QGZVFWFLSA-N 385.423 4.515 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1 105338698 NRVUXCIWFKMFPD-GFCCVEGCSA-N 396.712 4.921 0 40 GJAB Cc1ccc2c(c1)[C@H](NC(=O)COc1cccc3ccccc13)CC(C)(C)O2 218914785 NNKARDYBAPHDHQ-HXUWFJFHSA-N 375.468 4.946 0 40 GJAB COc1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)ccc1OC(C)C 222848719 NGGQJAGUDOTMPG-HNNXBMFYSA-N 391.895 4.528 0 40 GJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 224172347 PKYUAXURNWQTSP-CYBMUJFWSA-N 387.892 4.881 0 40 GJAB CN(c1ccc(Br)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929509 JIEGLJWAOFRSKX-UHFFFAOYSA-N 395.105 4.581 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccc(OC)cc1 225489115 KTJFTHRTRRGGJB-KRWDZBQOSA-N 392.908 4.573 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(OC)cc2OC)cc1 225497850 UMGXSAIXRXLWAH-LJQANCHMSA-N 388.533 4.786 0 40 GJAB CCSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccc(OC)cc1 225544814 SIMAIYIWCFUOHB-UHFFFAOYSA-N 391.496 4.561 0 40 GJAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc4ccccc4c3)ccc21 225702751 IIIRGOKTCQGCAH-UHFFFAOYSA-N 398.509 4.598 0 40 GJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225847630 TYCFWRMVMILQPR-JOCHJYFZSA-N 393.524 4.965 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 225878799 PYSBHDNQDUUOJX-GXPOEHQZSA-N 377.440 4.715 0 40 GJAB C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NC2CCCCCC2)n1 226011315 UMOHVEPNNVPLOA-CYBMUJFWSA-N 381.977 4.518 0 40 GJAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1cccc(Br)c1 226326531 VLSMRSWYGARPNZ-UHFFFAOYSA-N 385.641 4.778 0 40 GJAB CCc1ccc(CC)c(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 260843315 QFZGWWLCXRAYJH-IBGZPJMESA-N 378.560 4.973 0 40 GJAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2C)c1 408643680 BJJHVRCBQMHTLC-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)c(Cl)c3)n2C)cc1 409198091 WVALJHNGUASGLJ-XDOYNYLZSA-N 386.904 4.774 0 40 GJAB CCc1ccc2[nH]c(=O)c(CN(C(=S)NCC(C)C)C3CCCCC3)cc2c1 916834 WFLCHBMHRVQVDJ-UHFFFAOYSA-N 399.604 4.756 0 40 GJAB Cc1sc2nc(C(C)C)nc(SCC(=O)Nc3nccs3)c2c1C 1340407 LHXFVCDZYUEHMR-UHFFFAOYSA-N 378.548 4.619 0 40 GJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)N1c1ccccc1 2087643 NSQNBXBJKYAZOR-JTHBVZDNSA-N 393.446 4.651 0 40 GJAB biogenic Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1 2255059 OFVXSMFLAUYTFJ-GOTSBHOMSA-N 396.425 4.630 0 40 GJAB Cc1ccc([C@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2264306 ZACYUMYSOOFCQF-QDPGVEIFSA-N 395.439 4.872 0 40 GJAB COc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 2343441 FMYKQDBUMIMFGG-UHFFFAOYSA-N 388.496 4.939 0 40 GJAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1 2349217 WVIKTHFAJJUBSS-KBMIEXCESA-N 381.840 4.817 0 40 GJAB Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5c(=O)o4)cc3)oc(=O)c2c1 3075033 XTVKWHWVODYHOO-UHFFFAOYSA-N 396.402 4.640 0 40 GJAB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)c1ccc(Br)cc1 3284524 PSYOTANTIZMOKB-LLVKDONJSA-N 389.274 4.863 0 40 GJAB CC(C)(C)c1ccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 3367753 VBDLDTCUGXUQIG-UHFFFAOYSA-N 398.506 4.980 0 40 GJAB CCOC(=O)/C=C/C(=O)n1nc(-c2ccccc2)c2c1[C@@H](C(C)C)CC[C@H]2C 4671455 GNUMJKTYKPYMCK-KVOGJJTBSA-N 380.488 4.947 0 40 GJAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1 4705217 AZWZGRHPJKGLAD-UHFFFAOYSA-N 376.456 4.633 0 40 GJAB CCCCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1 4741146 HYBXUASPQNYAQY-UHFFFAOYSA-N 388.895 4.608 0 40 GJAB Cc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 4816518 PLRMZPUORWIHTI-DHIUTWEWSA-N 394.478 4.968 0 40 GJAB Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2C(C)C)c(C)s1 4883655 AFPWXTDJDSYTSK-UHFFFAOYSA-N 387.501 4.633 0 40 GJAB O=C(NC1CCCCC1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 4890474 FOFCLSXEERGPEJ-HNNXBMFYSA-N 388.899 4.612 0 40 GJAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2cc3ccccc3cc2O)cc1 4914155 TUHORVCRLGLVAI-UHFFFAOYSA-N 377.440 4.638 0 40 GJAB O=C(Nc1cccc(Cl)c1)NC1(C(=O)NCc2cccs2)CCCCC1 4965401 BFDCKFJONZWAHX-UHFFFAOYSA-N 391.924 4.542 0 40 GJAB COc1ccc2o/c(=N\c3ccc(Oc4ccccc4)cc3)c(C(N)=O)cc2c1 5188819 ZAVWFYDONZOEIR-BZZOAKBMSA-N 386.407 4.565 0 40 GJAB Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)c2ccsc2)cc1 5452221 PKQQYQAXHIJCOC-JOCHJYFZSA-N 376.481 4.636 0 40 GJAB CCN(CC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)ccc12 5840052 OVNXSTVJRQJZGD-JOCHJYFZSA-N 384.907 4.939 0 40 GJAB CCCn1c(C)cc(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c1C 6099455 ARWLFVIDHTXUGA-UHFFFAOYSA-N 397.331 4.839 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 7882067 ZPWHBDZCYZZSMW-GXTWGEPZSA-N 377.271 4.542 0 40 GJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 7928862 ODLJYIBDLLYVDI-GCJKJVERSA-N 385.463 4.869 0 40 GJAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCCC1=CCCCC1 7987518 FSPLVSGBBQCIQL-UHFFFAOYSA-N 389.499 4.622 0 40 GJAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc(Oc2ccccc2)c1 9052332 OPABKIBPLXECAQ-UHFFFAOYSA-N 375.424 4.522 0 40 GJAB CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCc1ccc(C)cc1 9582513 CRTAACMITSUUQX-UHFFFAOYSA-N 394.544 4.697 0 40 GJAB O=c1[nH]c2c(s1)[C@@H](c1ccc(Br)cc1)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11990741 SQFALPKIUAOVMZ-ZZEGJQGJSA-N 394.359 4.851 0 40 GJAB Cc1ccccc1Cn1c([C@@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 12539132 QVHDNIMHFJAWQC-LJQANCHMSA-N 383.495 4.813 0 40 GJAB COc1cccc(-n2c(-c3ccccc3)cnc2SCc2nc(C)no2)c1 12630205 FQTHRZZIHQEOJH-UHFFFAOYSA-N 378.457 4.532 0 40 GJAB CSc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 12753908 GHBREEPYCXQBLH-UHFFFAOYSA-N 377.391 4.865 0 40 GJAB CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 12814691 TXCBCWJWBQBLSJ-UHFFFAOYSA-N 386.442 4.579 0 40 GJAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)no1 12911583 XIKWEEDROPOVNQ-UHFFFAOYSA-N 377.828 4.715 0 40 GJAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc(Cl)cc1Cl 14424012 YVGINPFSMNOVKT-UHFFFAOYSA-N 377.271 4.918 0 40 GJAB O=C(CC1(O)CCCCC1)N1CCC[C@H]1c1ccc(Cc2cccc(F)c2)cn1 19688555 WLYZXGXVLUUFBL-QFIPXVFZSA-N 396.506 4.560 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20144164 ZGKOEYKLCVLOGS-UHFFFAOYSA-N 392.238 4.763 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 22514399 FCOALSPHKRPVDQ-WMZOPIPTSA-N 382.504 4.546 0 40 GJAB Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 23157188 SRFDAWJCAMRPEL-DOXZYTNZSA-N 398.576 4.996 0 40 GJAB c1coc([C@@H](CNc2nc(-c3ccncc3)nc3ccccc23)N2CCCCC2)c1 25165140 LBQYDEVEPYKLDM-OAQYLSRUSA-N 399.498 4.924 0 40 GJAB CCCOc1cccc(C(=O)Nc2nc(-c3ccc(OCC)cc3)ns2)c1 28287252 OHEOWLXGPPUQPJ-UHFFFAOYSA-N 383.473 4.645 0 40 GJAB O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCCCCC1 29237261 ZDPWCTHXWLXOFJ-UHFFFAOYSA-N 386.289 4.696 0 40 GJAB C[C@H](Sc1nc2sccc2c(=O)n1C)c1nc2ccccc2n1C(F)F 30546083 RLYVZRDXFYPYML-VIFPVBQESA-N 392.456 4.593 0 40 GJAB Fc1ccc(SC[C@@H]2CSc3nnc(-c4ccncc4)n32)cc1Cl 30795071 UFRMGVXLYWFEHK-LLVKDONJSA-N 378.885 4.572 0 40 GJAB COc1ccc(C)cc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 36446950 REXOSKSWXXIMHR-NRFANRHFSA-N 398.553 4.713 0 40 GJAB Cc1ccc(-c2cc3nc(SCc4cccc(C)c4)n(N)c(=O)c3s2)cc1 36646154 DRZDRUSVBYBHAZ-UHFFFAOYSA-N 393.537 4.748 0 40 GJAB Cc1nc(CSc2ccc(C(=O)N3CCOc4ccccc43)cc2)cs1 36838007 KCUABYQBFFJWJJ-UHFFFAOYSA-N 382.510 4.783 0 40 GJAB CCCOc1ccc(Oc2ncccc2CNC(=O)Nc2ccccc2)cc1 40145999 PQQYXSJITIYXBQ-UHFFFAOYSA-N 377.444 4.984 0 40 GJAB COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4ccc(F)cc4)c3n2)c1 40484777 CEODCDVJDBROGX-UHFFFAOYSA-N 399.425 4.512 0 40 GJAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(OC)cc1 44885540 LCGPPQRCRLOYMY-KRWDZBQOSA-N 388.316 4.573 0 40 GJAB Cc1cc(C(=O)Nc2ccc(-c3nc(C4CC4)n[nH]3)cc2)c2ccc(F)cc2n1 58245066 WXZLSQTUUIKNPX-UHFFFAOYSA-N 387.418 4.597 0 40 GJAB Cc1sc2nc(-c3ccccn3)nc(N(C)C[C@H](C)O)c2c1-c1ccccc1 63255846 TZPRUJRCYLVLEQ-AWEZNQCLSA-N 390.512 4.546 0 40 GJAB Nc1nc(CSC[C@H](O)c2ccccc2)nc2sc3c(c12)CCCCC3 65533924 ONCIRWAOUAAGFM-HNNXBMFYSA-N 385.558 4.509 0 40 GJAB O=C(c1c(-n2cccc2)sc2c1CCCC2)N1CCC[C@H](C(F)(F)F)C1 71927882 BSGYSKQYSSKSHK-ZDUSSCGKSA-N 382.451 4.832 0 40 GJAB O=C(OCc1csc(-c2ccsc2)n1)c1cc(O)c2ccccc2c1O 95349032 FRICIGLFESWVON-UHFFFAOYSA-N 383.450 4.793 0 40 GJAB COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OCc1ccc(F)cc1 96831493 PQVLYPZUKVZUBE-CPNJWEJPSA-N 394.446 4.569 0 40 GJAB CCN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 107174852 NDARNUNVWAZQCT-RHSMWYFYSA-N 383.923 4.679 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 222776586 TZRRZJMCVYYTPM-IBGZPJMESA-N 395.543 4.869 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC(C)C 222918292 WAWBNUUDWQNVGJ-OAQYLSRUSA-N 396.531 4.918 0 40 GJAB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3cc(C)c(C)cc3C)ccc2c1 223500581 ZYDADAGMAGKJAO-QGZVFWFLSA-N 383.513 4.813 0 40 GJAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1C 224105815 YFUOQSCYZOOWKM-UHFFFAOYSA-N 379.431 4.652 0 40 GJAB CCCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 225760274 YASUCZHHXYZOJP-QHCPKHFHSA-N 394.559 4.507 0 40 GJAB CC(=O)c1cccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)c1 225829164 CFMJPSWIYSLQEH-UHFFFAOYSA-N 385.423 4.664 0 40 GJAB COCCN1C(=O)N(c2ccc(Cl)cc2)[C@@H]2[C@H](c3cccc(F)c3)CC[C@@H]21 257326362 WWYRGOJXMCTCKN-SLFFLAALSA-N 388.870 4.682 0 40 GJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 408564637 ZARVVFMXXPITCL-QGZVFWFLSA-N 382.529 4.822 0 40 GJAB CC(=O)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 408624446 UFAPKSDEOSVJTB-UHFFFAOYSA-N 382.872 4.823 0 40 GJAB CCc1nc2ccccc2n1Cc1noc([C@@H]2C[C@@H]2c2cccc(F)c2F)n1 546595511 ACRKKDUSXPGQIZ-ZIAGYGMSSA-N 380.398 4.579 0 40 GJAB CCc1ccc([C@H]2CCCN(C(=O)C3CCC(OC[C@@H]4CCCO4)CC3)C2)cc1 552123815 LFMDOBKIPGWEOF-WDTLCOQZSA-N 399.575 4.709 0 40 GJAB CCN(C(=O)c1cccc(Oc2ccc(Cl)cc2)n1)[C@H]1CCOC(C)(C)C1 585085376 UDHJHAALUZWIRR-INIZCTEOSA-N 388.895 4.947 0 40 GJAB Cc1sccc1CN1CCC(N(C)C(=O)c2ccc(C(F)(F)F)cc2)CC1 585085793 HUPADKCAKRLSDF-UHFFFAOYSA-N 396.478 4.812 0 40 GJAB C/C(CCC(=O)O)=C1/CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1560408780 RUXSDYBLLFVIDI-FOQFJTCFSA-N 390.564 4.542 0 40 GJAB Cc1ccc2cccc(NC(=O)N3CCCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)c2n1 1659020319 AWBFXLYVWGVXDP-GDVKCFTOSA-N 381.520 4.727 0 40 GJAB COc1ccccc1CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 854704 MUYNFYRRGZQVIF-UHFFFAOYSA-N 391.254 4.895 0 40 GJAB CCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3c(C)cccc23)c1 949559 KHISIDQXZCSNFM-UHFFFAOYSA-N 378.428 4.640 0 40 GJAB O=C(Nc1cc(F)ccc1F)c1ccn(COc2c(Cl)cccc2Cl)n1 2795272 OETGGDDFFROSBE-UHFFFAOYSA-N 398.196 4.757 0 40 GJAB CCCCCCC(=O)N[C@@H](Nc1ccccc1OC)C(Cl)(Cl)Cl 3147768 AJKGTCFEWCACPG-OAHLLOKOSA-N 381.731 4.890 0 40 GJAB FC(F)Sc1ccc(NC(=S)Nc2ccccc2N2CCOCC2)cc1 3277848 IUEHKNFCQBFDIW-UHFFFAOYSA-N 395.500 4.647 0 40 GJAB CCCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 4555245 KLDLVRXREWFNLD-SANMLTNESA-N 399.490 4.647 0 40 GJAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 4649425 YIHHYXHFMIAISE-UOWZEBRGSA-N 399.855 4.861 0 40 GJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)CCc2ccccc2)c1 4659894 PVDQBSUBMRZPPX-UHFFFAOYSA-N 388.467 4.909 0 40 GJAB O=C(Nc1ccc(Cl)cc1C(=O)NCc1ccc(Cl)cc1)c1ccco1 4699582 QTJYFVVGOBDHIA-UHFFFAOYSA-N 389.238 4.769 0 40 GJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1[C@H](CO)Cc1ccccc1 4731424 RVBXGOSYXHFXPE-DFBJGRDBSA-N 396.490 4.625 0 40 GJAB O[C@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N(Cc1ccccc1Cl)CC2 5184680 DHAIHTADTTVAFV-LEOXJPRUSA-N 399.918 4.937 0 40 GJAB O=C(/C=C/c1cccs1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 6589958 LZEHYJNTLXLTKU-MDZDMXLPSA-N 385.876 4.656 0 40 GJAB Fc1ccccc1-c1nnc(SCc2nc(-c3ccsc3)no2)n1C1CC1 7299169 IZTMHNVWNVLCBP-UHFFFAOYSA-N 399.476 4.823 0 40 GJAB C[C@H]1c2ccsc2CCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 7830491 DYECRDKOGHVGCT-ZDUSSCGKSA-N 382.510 4.821 0 40 GJAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8041828 QPXSABQMEPMVKE-SFHVURJKSA-N 389.524 4.966 0 40 GJAB C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCc2ccccc2C1 8118335 HXYZKNYIIBCADL-GFCCVEGCSA-N 382.813 4.744 0 40 GJAB COc1ccc(N(CC(=O)c2ccc(C)cc2)C2=NCCCCC2)c(OC)c1 8411414 AARYKSVBRLNTKA-UHFFFAOYSA-N 380.488 4.674 0 40 GJAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(OC(C)C)cc1 8570356 JCPLSSPCLGERAD-UHFFFAOYSA-N 399.878 4.840 0 40 GJAB COCCNc1oc2c(c1-c1cccc(Cl)c1)c(=O)n(C)c1ccccc21 9485452 HKAMGOPDOZKWDZ-UHFFFAOYSA-N 382.847 4.663 0 40 GJAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 10339945 CNZHLTKRRFORMM-HSZRJFAPSA-N 399.494 4.715 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(SC(F)F)cc3)o2)cs1 11212945 ZLGAUXKZJUJJDU-UHFFFAOYSA-N 380.441 4.956 0 40 GJAB CCn1ncc2c(C(=O)Nc3cc(C)ccc3F)cc(-c3cccs3)nc21 11477282 XWOKNOBNCGLWNO-UHFFFAOYSA-N 380.448 4.880 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 12494015 KNVADAPHVNKTEP-CIGXQKLNSA-N 390.564 4.686 0 40 GJAB endogenous,in-man Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(N)c3c(C)c(C)sc3n2)c1 12539267 UOFVKSOMRXPAAG-ZDUSSCGKSA-N 386.546 4.626 0 40 GJAB Cc1ccc(-c2nnc(S[C@H]3C[C@@H](C)OC3=O)nc2-c2ccc(C)cc2)cc1 12750304 JAQGSVLUCXNNLT-QAPCUYQASA-N 391.496 4.619 0 40 GJAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccccc1F 12878093 SDYUMYJEWGWOPI-UHFFFAOYSA-N 376.840 4.696 0 40 GJAB CCC[C@@H](CC(=O)O)c1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](C)[C@H](C)C2=O 13382644 MXFUJXIOAUPXPT-XQQFMLRXSA-N 388.460 4.535 0 40 GJAB biogenic,in-vitro Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)n(-c2nc3ccccc3[nH]2)n1 13639539 BODNZRBUVDCZDS-UHFFFAOYSA-N 387.226 4.583 0 40 GJAB Cc1oc2cc(OCC(=O)NC(C)(C)C)ccc2c(=O)c1-c1ccc(Cl)cc1 13732715 BEKBKRNQQGDXMD-UHFFFAOYSA-N 399.874 4.715 0 40 GJAB O=C(CCC(=O)c1ccc2ccccc2c1)NCCc1ccc(OC(F)F)cc1 14239841 IFIMBINAQZFTJH-UHFFFAOYSA-N 397.421 4.763 0 40 GJAB CCOCc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)oc2ccccc12 16301856 XFKOTXHTMUBETI-UHFFFAOYSA-N 377.362 4.918 0 40 GJAB COc1ccc(NC2=NC(=O)/C(=C\c3cccc(OC)c3OC(C)C)S2)cc1 16440342 ZKMCSMUWBQDEFJ-LDADJPATSA-N 398.484 4.573 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c(C)c1 20450313 WCHKNYQSWQMNRM-QGZVFWFLSA-N 394.515 4.656 0 40 GJAB CN1C(=O)c2ccccc2N[C@H]1c1cccc(NC(=O)c2ccc(Cl)cc2)c1 20936310 FTMLMXMWEQRGPF-HXUWFJFHSA-N 391.858 4.789 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 21346624 SQLFRRAYTMNMLL-ROUUACIJSA-N 388.467 4.584 0 40 GJAB CCCc1ccc(-c2nc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)sc2C)cc1 22875649 OJWJOMRQUPQMKX-CYBMUJFWSA-N 387.549 4.560 0 40 GJAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC(F)F 24836322 SONRVEWMODQISX-SECBINFHSA-N 388.773 4.528 0 40 GJAB O=C(c1ccncc1)c1c(Nc2ccc(Cl)cc2)[nH]c(=O)c2ccccc12 26572004 LNGCQHWNQSAKIK-UHFFFAOYSA-N 375.815 4.551 0 40 GJAB Nc1c(-c2nc3ccccc3[nH]2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 27987350 NRGAFNVLFBDKOH-UHFFFAOYSA-N 386.842 4.949 0 40 GJAB Cn1ccnc1[C@H](NCc1ccc(SC(F)(F)F)cc1)c1ccccc1 30643812 LTDMTIFGENAJRI-QGZVFWFLSA-N 377.435 4.911 0 40 GJAB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 35040441 SLWVCKWDLAKPLL-OQLLNIDSSA-N 389.885 4.752 0 40 GJAB COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2cccc(F)c2)cc1 36247938 IJUFPQYUNYMKQX-UHFFFAOYSA-N 385.460 4.538 0 40 GJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCC(Cc2ccccc2)CC1 39538812 NVPLZNABLQHMKW-UHFFFAOYSA-N 392.474 4.895 0 40 GJAB COc1cc(C)ccc1Oc1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cn1 40090807 ZEGWUEYQXYUKON-SJPCQFCGSA-N 394.471 4.525 0 40 GJAB Cc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)cc1F 41076950 GNIFXAQLMHNUHK-UHFFFAOYSA-N 381.451 4.666 0 40 GJAB Cc1cc(NC(=O)[C@@H](Sc2ccc3c(c2)OCCCO3)c2ccccc2)no1 53224083 GGSPLERQNQNZMY-FQEVSTJZSA-N 396.468 4.616 0 40 GJAB O=C(NCc1ccccc1C(F)(F)F)c1cc(-c2cccc(Cl)c2)[nH]n1 57413713 SMAVEVDSDCKMOF-UHFFFAOYSA-N 379.769 4.679 0 40 GJAB Cc1ccc(C)c(N(C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)C(C)C)c1 58266769 GMQHOXPRQIOQAT-SFHVURJKSA-N 384.545 4.659 0 40 GJAB Cc1ccccc1-c1noc(-c2nn(-c3ccccc3C)c(=O)c3ccccc23)n1 64950174 VNXFVPSHVKQCRP-UHFFFAOYSA-N 394.434 4.720 0 40 GJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65814522 GNLKVONFFMQVCA-JREAUHRESA-N 398.510 4.585 0 40 GJAB Cc1cc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)on1 69897231 AEFIQSJOCCRPIW-QFIPXVFZSA-N 396.535 4.672 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@H](C)N2Cc3ccccc3-c3ccccc3C2)cc1 69926246 SSUIHCPMYLKPGD-KRWDZBQOSA-N 384.479 4.899 0 40 GJAB O=C(Cc1ccccc1Cl)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200197 FIKTZLJOURMSRC-QZTJIDSGSA-N 386.879 4.559 0 40 GJAB CSc1ccccc1C(=O)N1CCC(CSc2nc(C)cs2)CC1 90608116 FWBJDGJYPOQQNP-UHFFFAOYSA-N 378.588 4.818 0 40 GJAB COc1cc(/C=C/c2nc(C(=O)O)c(-c3ccccc3)s2)cc(OC)c1OC 95997448 KUPAELMDVLJVOJ-MDZDMXLPSA-N 397.452 4.705 0 40 GJAB C[C@H](NCc1csc(CCc2ccccc2)n1)c1ccc2c(c1)CCC(=O)N2 97228481 QSCAIQOAPUXSNC-INIZCTEOSA-N 391.540 4.664 0 40 GJAB CCNC(=O)c1cc(NC(=O)c2cc(SC)ccc2Cl)nc2ccccc12 97229911 KNSZJXIWAMGVJZ-UHFFFAOYSA-N 399.903 4.612 0 40 GJAB Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4C5CC6CC(C5)CC4C6)[C@@H]3C2=O)c1 100660878 UESZGMALBGUBGC-ACWWLXBFSA-N 385.507 4.669 0 40 GJAB Cc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(O)C[C@@H](c3ccco3)CC1=N2 102576658 FUQFLKLFXAOLKL-DJJJIMSYSA-N 380.835 4.898 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 222801056 CQXIMUKRJZNRQM-RBUKOAKNSA-N 381.526 4.818 0 40 GJAB CCCC[C@H](CC)CNC(=O)COc1ccc(Br)cc1Cl 224262474 HARVJTRYUGCFPS-LBPRGKRZSA-N 376.722 4.814 0 40 GJAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1 224735020 FPUSUMQASNKLIP-UHFFFAOYSA-N 382.323 4.590 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1 225499999 JZKJPGJBCPRECM-IBGZPJMESA-N 386.517 4.556 0 40 GJAB CCCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccccc1 408563696 WQADTEMORDNRSE-FCQUAONHSA-N 380.513 4.939 0 40 GJAB O=C(C(=O)N1CCCCC1)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 408566270 FFKVDCRUFPMDOU-UHFFFAOYSA-N 398.865 4.677 0 40 GJAB CCCN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409223537 ZYRISFFCSYGZGT-XDHOZWIPSA-N 393.874 4.646 0 40 GJAB C[C@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nc3ccccc3s2)s1 548397494 IEWDTVKZWGIGCB-KBPBESRZSA-N 386.542 4.790 0 40 GJAB CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)/C=C/c1ccc2ccccc2n1 1624165327 FLEBKLVKNFFUBY-ZFBATQKFSA-N 380.875 4.794 0 40 GJAB Cc1cc(OCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc(C)c1Cl 943431 BQIHWTHINHOGBJ-UHFFFAOYSA-N 398.842 4.536 0 40 GJAB COc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)Nc2ccccc2C)C3)cc1 1370549 FMLBJFYOCYDRPC-NHCUHLMSSA-N 393.531 4.711 0 40 GJAB Cc1ccccc1NC(=O)c1sc(NC(=O)c2cccc(Cl)c2)nc1C 1378926 RSUQQUSIZGPIMJ-UHFFFAOYSA-N 385.876 4.918 0 40 GJAB O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1)c1ccc(F)cc1 1399222 MEGUQTDWZVZVMD-UHFFFAOYSA-N 393.437 4.544 0 40 GJAB CCOC(=O)c1sc(NC(=O)c2ccc(OCC)cc2)nc1-c1ccccc1 1509278 OATBTMLJAXUTKT-UHFFFAOYSA-N 396.468 4.638 0 40 GJAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)c1ccc(F)cc1 3135894 JYDLJDLUEBCMBE-UHFFFAOYSA-N 378.403 4.647 0 40 GJAB Nc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1C(=O)c1ccccc1 4585240 RPRUZNNPBVESPU-UHFFFAOYSA-N 389.842 4.658 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 4816609 VHHFHYVYKYGQFC-MOPGFXCFSA-N 398.869 4.794 0 40 GJAB COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)c1ccc(C)cc1 4880599 DJINXZSSMBJCOL-UHFFFAOYSA-N 382.891 4.794 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)c1 4902580 YWIMVZUYMYARKW-UHFFFAOYSA-N 393.390 4.795 0 40 GJAB CCOc1cccc(NC(=O)c2sc3nc(-c4cccnc4)ccc3c2N)c1 5478214 LXWOSSUUDXKBAN-UHFFFAOYSA-N 390.468 4.592 0 40 GJAB C[C@@H]1CSC(N(C(=O)c2ccc(-n3cccn3)cc2)c2ccc(Cl)cc2)=N1 6647219 IHMKZHIVYDDYKV-CQSZACIVSA-N 396.903 4.664 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(N2CCCC2=O)c1 7492006 PXAIIVVYRVRSHZ-UHFFFAOYSA-N 383.498 4.559 0 40 GJAB CCc1cccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 8105995 VHJRTXHZZYDWLD-KRWDZBQOSA-N 380.513 4.644 0 40 GJAB C[C@H](NC(=O)c1cccnc1SC(F)F)c1nc2ccccc2n1C(F)F 8704406 QPIVBLJKKMMUMO-VIFPVBQESA-N 398.385 4.632 0 40 GJAB Cc1cc(C)c(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c(C)c1 10139798 YXLVKURPKIEOEE-UHFFFAOYSA-N 375.516 4.911 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)no2)cc1F 11916770 GCWCTOKOIQXXQW-UHFFFAOYSA-N 375.197 4.804 0 40 GJAB O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccoc1 12574532 CUOOTTJOVWZBLD-QGZVFWFLSA-N 385.345 4.694 0 40 GJAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccccc1Cl 13039988 YFRYPLDDOSQKGG-AWEZNQCLSA-N 385.920 4.768 0 40 GJAB O[C@H](CNCc1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccccc1 16477414 JBFKDAVLCDWLDH-OAQYLSRUSA-N 385.866 4.881 0 40 GJAB COc1ccc(-c2noc(CCCC(=O)Nc3cc(Cl)ccc3C)n2)cc1 19816418 YAYRAHNUPSNDIA-UHFFFAOYSA-N 385.851 4.668 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 20531139 YZMGAKKATSXKLH-OAQYLSRUSA-N 390.870 4.546 0 40 GJAB CCN(c1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1)S(C)(=O)=O 20673146 CBFSCRSSAJVBHT-UHFFFAOYSA-N 392.933 4.916 0 40 GJAB Cc1ccc(-n2cnnc2S[C@H](C)c2nc(C(C)(C)C)no2)cc1Cl 24046351 IFLWSLOEZYCMNV-LLVKDONJSA-N 377.901 4.763 0 40 GJAB CNC(=O)c1cc(-c2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 25186091 FVOKNAFQKZTTGZ-UHFFFAOYSA-N 394.887 4.676 0 40 GJAB CCc1ccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 27990485 GVPWSILNGYVKJU-KRWDZBQOSA-N 394.540 4.807 0 40 GJAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccc(COc2ccc(F)cc2F)o1 28244259 ZFXLRHKFFRLEEM-UHFFFAOYSA-N 395.365 4.779 0 40 GJAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccc(F)cc1)Cc1ccco1 28251236 YAWGONDCPHSHPR-UHFFFAOYSA-N 395.361 4.507 0 40 GJAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1Oc1ccccc1 32838746 TVKIEZLTHWMXRT-UHFFFAOYSA-N 387.435 4.615 0 40 GJAB Cc1nc(C)c(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)s1 32996023 WEMHSYUESXJDHJ-SFHVURJKSA-N 375.497 4.803 0 40 GJAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(N2CCCCC2)cc1 33026460 PRLFGRMNAOXEDN-UHFFFAOYSA-N 380.488 4.596 0 40 GJAB C=C1C[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 35566775 UDKABVSQKJNZBH-MMTYHIRTSA-N 396.527 4.741 0 40 GJAB biogenic CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 44904183 RUIFNLNJLRQDRA-LJQANCHMSA-N 388.895 4.666 0 40 GJAB CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)ccc1OC(C)C 50547993 ZDNZJVSYZMVRGA-UNOMPAQXSA-N 398.484 4.967 0 40 GJAB CN(C)c1c(Cl)cccc1NC(=O)COc1ccc(Cl)c2cccnc12 83852370 CIAFHVBRCGJFNA-UHFFFAOYSA-N 390.270 4.625 0 40 GJAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 100554677 ZZMDCGIDRVEUOO-WXPXUSHHSA-N 385.847 4.818 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2Cl)C[C@@H](c2ccccc2)C1 102603915 CKIZXYZAHWKWCE-JLTOFOAXSA-N 376.847 4.997 0 40 GJAB Cc1ccc(-c2cn3c([nH]2)c(C2=NCCCCC2)c(=O)n3-c2ccccc2)cc1 102626364 IIDQDZFDBLULRQ-UHFFFAOYSA-N 384.483 4.757 0 40 GJAB CC(=O)CCSC1=NN/C(=C2\C=Nc3ccccc32)N1c1ccc(Cl)cc1 102899037 CBQZPKRMYYNILD-ZPHPHTNESA-N 396.903 4.818 0 40 GJAB CSc1cccc(NC(=O)[C@@H](C)N2CCC(c3nc4ccccc4o3)CC2)c1 105609459 DIQDPEGWMNLOHF-OAHLLOKOSA-N 395.528 4.756 0 40 GJAB Cc1c(C(=O)N2CCS[C@@H](c3ccccc3)CC2)cnn1-c1ccccc1 211139627 KVRPPFPDYKXFDU-OAQYLSRUSA-N 377.513 4.501 0 40 GJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc2ccccc12)c1ccc(OC)c(OC)c1 219047684 BCLBIKVHJLHXFE-OXJNMPFZSA-N 393.483 4.892 0 40 GJAB Cc1cc(OCC(=O)NC(C)(C)Cc2ccccc2)cc(C)c1Br 223243200 FDDBVYRYJBAQNL-UHFFFAOYSA-N 390.321 4.582 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223732598 JCALAMUTKNXNLC-OAQYLSRUSA-N 383.532 4.899 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 225484443 VKFOZTUVURCAMB-NZQKXSOJSA-N 394.559 4.568 0 40 GJAB Cc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3ccc4ccccc4n3)C2)n1 257302697 SDXUBYLXLUALSD-LJQANCHMSA-N 398.510 4.966 0 40 GJAB CO[C@H](C(=O)NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1 408924445 OGVBDMLRFOFDOA-KRWDZBQOSA-N 384.328 4.731 0 40 GJAB O=C1CC[C@]2(CCCN(c3ncc4sccc4n3)CC2)N1CC1CCCCC1 585100219 HYACQUJKOGUINJ-QFIPXVFZSA-N 398.576 4.623 0 40 GJAB COc1ccccc1CN1CC[C@H](c2c(C(=O)N(C)C)sc3ccccc23)C1 585169362 MVNMAYVOOWZVBN-KRWDZBQOSA-N 394.540 4.601 0 40 GJAB O=C(c1ccc2c(c1)CCC=C2)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 656422816 FCMXGHNJYQGHRD-ZJSPYRCASA-N 398.550 4.629 0 40 GJAB Cc1ccc(C(=O)N[C@H](Nc2ccccc2F)C(Cl)(Cl)Cl)cc1 1231033 LXGFOVYAJYIJAP-HNNXBMFYSA-N 375.658 4.672 0 40 GJAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)c3ccco3)c(=O)[nH]c2c1C 1359442 NAUKKSLWIXJBAZ-UHFFFAOYSA-N 392.480 4.642 0 40 GJAB CC[C@H](C)NC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 1383670 HXERARAIXDPHBE-NRUITVPNSA-N 388.305 4.956 0 40 GJAB Clc1ccc(SCc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 1404375 JGAXOPCDHROAMD-UHFFFAOYSA-N 397.931 4.926 0 40 GJAB CSc1cccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c1 2725960 BCDLJLHRESUURJ-UHFFFAOYSA-N 390.258 4.530 0 40 GJAB COC(=O)c1ccc(/C=C/C(=O)O[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cc1 3362540 VTDZKLGWSPRKRF-AHQMPEJBSA-N 394.467 4.599 0 40 GJAB CCCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 4314920 WCPBDDJTRDPJGE-UHFFFAOYSA-N 377.488 4.762 0 40 GJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4735555 QQWSGQMKLRRUEY-FQEVSTJZSA-N 379.435 4.808 0 40 GJAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1 4735611 GUIWRDYJEQWOIN-OAQYLSRUSA-N 391.471 4.676 0 40 GJAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N[C@@H]1CCCc2ccccc21 4987415 PKTIOBGIXAJGFU-FZKQIMNGSA-N 397.475 4.550 0 40 GJAB CCCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 5027487 SCVAZLZATYVKAY-UHFFFAOYSA-N 376.909 4.672 0 40 GJAB C/C(=C\C(=O)Nc1cccc(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1 5183557 CUYVYCUZMJGYBK-FYWRMAATSA-N 390.314 4.658 0 40 GJAB Clc1cc(CSc2nnc(C3CC3)n2-c2ccccc2)cc2c1OCCO2 5259847 YPFVFUUDTSOENF-UHFFFAOYSA-N 399.903 4.862 0 40 GJAB O=C1[C@@H]2C=CC=C[C@H]2N=C(SCc2ccc(F)cc2)N1Cc1ccccc1 5682906 STRCWNLEWXDMGA-WOJBJXKFSA-N 378.472 4.568 0 40 GJAB COc1ccccc1-[n+]1cc(-c2ccc(Br)cc2)n2c1CCCCC2 6007484 YGWZQBGSEFFMSS-UHFFFAOYSA-N 398.324 4.929 0 40 GJAB CCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3ccc(F)cc32)cc1 6600828 XIWZUBUPVQIHMM-UHFFFAOYSA-N 389.430 4.667 0 40 GJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cc(Cl)ccc1Cl 7725809 UZOCXAYMGZUMQF-UHFFFAOYSA-N 379.243 4.820 0 40 GJAB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCC(C)C 7973576 UGGDNOSQAWCIIJ-UNOMPAQXSA-N 379.456 4.773 0 40 GJAB O=C1CCCCCN1CCCNc1ncnc2sc(-c3ccccc3)cc12 7981824 AIAYJRQQFQBOEJ-UHFFFAOYSA-N 380.517 4.563 0 40 GJAB CC(=O)c1sc(NC(=O)c2ccccc2OCc2ccc(F)cc2)nc1C 7982587 GXFCXKUMPTVJIO-UHFFFAOYSA-N 384.432 4.625 0 40 GJAB COc1ccc(CN(C)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1F 8308639 MYKAEOVANZJLNX-JOCHJYFZSA-N 396.437 4.785 0 40 GJAB Cc1cc(C)c(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(C)c1 8310374 LJPQJHDWFKDPTE-HXUWFJFHSA-N 394.515 4.549 0 40 GJAB Cc1cc(NC(=O)COC(=O)c2ccccc2Cl)c(C)cc1Br 8433653 UWOBZGIDUWZQHP-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB Cc1n[nH]c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 8762420 JYXKPLMLMAALGP-OAHLLOKOSA-N 392.406 4.604 0 40 GJAB CCCOc1c(Cl)cc(-c2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1OC 9516558 KVSRLBFLFCDOBB-UHFFFAOYSA-N 390.892 4.591 0 40 GJAB Cc1ccc2c(C)c(CCC(=O)Nc3nc4c(s3)C[C@H](C)CC4)c(=O)oc2c1 11448846 IYTDYMBJYLOFHQ-CYBMUJFWSA-N 396.512 4.562 0 40 GJAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCc1ccccn1 12324464 KTDSHBRJXNVFQZ-UHFFFAOYSA-N 378.284 4.750 0 40 GJAB O=C(NCCCn1cnc2ccccc21)c1ccc(Oc2ccc(F)cc2)cc1 12547282 VQKSNLNRBIYRBJ-UHFFFAOYSA-N 389.430 4.788 0 40 GJAB CCN1CCc2nc3ccccc3c(C(=O)Nc3ccccc3SC)c2C1 12940597 BBYGPXDZDDBILL-UHFFFAOYSA-N 377.513 4.587 0 40 GJAB Cc1ccc2cc(CNc3ccc(-c4nc5ccccc5[nH]4)cc3)c(=O)[nH]c2c1 13561299 NMVRRCNJWTTWFA-UHFFFAOYSA-N 380.451 4.992 0 40 GJAB Cc1ccc(SCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 13677936 IHLLLWXZZBMUQW-UHFFFAOYSA-N 390.357 4.514 0 40 GJAB COc1cc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(OC)cc1Cl 13708680 FSXQNNWDRJPZRB-ZDUSSCGKSA-N 385.847 4.916 0 40 GJAB Cc1cccc(-n2c3c(c(SCc4ccccc4Cl)nc2=O)CCC3)c1 15840555 IQHFHNIBTPFTIJ-UHFFFAOYSA-N 382.916 4.975 0 40 GJAB COc1ccc2nc(NC(=O)C34C[C@@H]5C[C@@H](CC(Cl)(C5)C3)C4)sc2c1 17992113 UXCFAZBOYFMCDB-ORMMXULVSA-N 376.909 4.821 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1Cl 20453947 IKVHNWNSJPWSPT-QGZVFWFLSA-N 396.270 4.966 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CCc1ccc2ccccc2n1 21432285 SUSKRBLNQXTWHU-INIZCTEOSA-N 386.451 4.772 0 40 GJAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnc(NCC(C)C)s2)c(C)c1 23226910 UQXVLLKZGNJLRZ-CQSZACIVSA-N 378.567 4.651 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(NC(=O)c2cccs2)c1 24033188 UTLSOOVQVYVIRJ-UHFFFAOYSA-N 375.453 4.663 0 40 GJAB Cc1ccc(C)c(-n2cnn(CN(C)Cc3nc4ccccc4s3)c2=S)c1 24083567 MHALTBPPCOTRGM-UHFFFAOYSA-N 395.557 4.719 0 40 GJAB Cc1cccc(CSc2ncc(Cl)c(C(=O)NCc3ccccc3)n2)c1 27663850 GALGFHUESRYIKF-UHFFFAOYSA-N 383.904 4.661 0 40 GJAB Cc1cc(C(F)(F)F)nc2sc(C(=O)NCc3ccccc3Cl)c(N)c12 32117825 RDHYIBFETAQWOD-UHFFFAOYSA-N 399.825 4.789 0 40 GJAB COc1ccc(C)cc1NC(=O)c1sc2nc(C(F)(F)F)cc(C)c2c1N 32117846 BNCCCAIWWPYWNS-UHFFFAOYSA-N 395.406 4.775 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1 32836714 ZPAFMFLDKRKFFX-GKKZROPHSA-N 391.471 4.903 0 40 GJAB O=S(=O)(/C=C/c1ccccc1)N[C@H](COc1ccccc1F)c1ccccc1 36398015 QUKHGDJYMGIMRC-UFBKIKKCSA-N 397.471 4.536 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(OC)c(Cl)cc1OC 44842127 UTYBBGREYJVKRT-MRXNPFEDSA-N 377.868 4.770 0 40 GJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)c1 44880909 HHCRCQWUHZUAMJ-MRXNPFEDSA-N 377.937 4.941 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cnc(Cl)c(Cl)c1 55742321 NQFGCFBKSVPSMY-UHFFFAOYSA-N 392.286 4.657 0 40 GJAB COc1ccccc1-c1nc(CN2CCN(c3cccc(Cl)c3)CC2)cs1 57378594 VHZBUPIEILYDAY-UHFFFAOYSA-N 399.947 4.794 0 40 GJAB CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 65544630 XELGGFDNNUULMI-QGZVFWFLSA-N 396.384 4.900 0 40 GJAB CC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 67321553 UPUOCYAGIVFUFS-XUGLNINTSA-N 390.483 4.908 0 40 GJAB CNC(=O)c1ccc(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c(C)c1 69351479 CJJZCJSNXZOREM-MRXNPFEDSA-N 384.545 4.819 0 40 GJAB NNc1nc2c(Cl)cc(NC(=O)c3ccccc3Cl)c(Cl)c2s1 72229016 AZKHYGPXUZDOBC-UHFFFAOYSA-N 387.679 4.794 0 40 GJAB COc1ccc(S(=O)(=O)N(C)[C@@H](C)CC2CCCCC2)c2c1CCCC2 72408062 VLSJIHWOPYGVTD-INIZCTEOSA-N 379.566 4.553 0 40 GJAB O=C(CCSc1ccccc1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200213 MFCDGWBJAHJWJY-RTBURBONSA-N 398.528 4.845 0 40 GJAB Cc1ccc(C(C)(C)C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)cc1 95957436 PFRPGVNDARSQPS-UHFFFAOYSA-N 391.471 4.751 0 40 GJAB COc1ccc(C)cc1CSCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 95958443 HEGZHFCQPSLDPF-UHFFFAOYSA-N 395.528 4.678 0 40 GJAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1 222911890 DOGSUWZBPHFQCG-VXKWHMMOSA-N 390.556 4.809 0 40 GJAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccccc1 224366934 AQUGAAYEYRZUEW-UHFFFAOYSA-N 391.467 4.603 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(OC)CCC(C)CC2)ccc1O[C@@H](C)CC 225810739 DEVWIRDNEQSARY-BXFSZVDSSA-N 391.508 4.574 0 40 GJAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCc1ccccc1 225830844 YQNKGERJKKTGOW-UHFFFAOYSA-N 383.451 4.653 0 40 GJAB COC(=O)c1cccc(NC(=S)NC2(c3ccccc3C)CCCC2)c1C 225858766 QWGYFMBGFVTGDM-UHFFFAOYSA-N 382.529 4.846 0 40 GJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CCC(=O)OC[C@@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245239439 IWMSSVYTWMLNDF-NIUSZHQZSA-N 388.548 4.593 0 40 GJAB CCc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)s1 409060188 YDNPUVKNXAIFDT-WJDWOHSUSA-N 377.462 4.565 0 40 GJAB CCOC1CC2(CCN(C(=O)c3cccc(Oc4ccc(Cl)cc4)n3)C2)C1 585082170 VKKQRMUVKHIJEZ-UHFFFAOYSA-N 386.879 4.559 0 40 GJAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CCCC12CCCCC2 661435993 RFLMGXQHZGCLCV-LBPRGKRZSA-N 375.460 4.806 0 40 GJAB COc1cccc([C@@H](CO)NC(=O)c2cc3sc4ccccc4c3s2)c1 678393682 PPBSSDNSIOJWFK-OAHLLOKOSA-N 383.494 4.588 0 40 GJAB Cn1ncc(C2CC2)c1CNC(=O)Nc1cccc2cccc(Br)c12 952963142 DEHNUWMEWYVACM-UHFFFAOYSA-N 399.292 4.535 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Oc3ccc(F)cc3)nc2)cc1 1628775565 KLYWWTDBUMHSHH-NRFANRHFSA-N 392.430 4.999 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1C 633831 KCRMCBIASKKOLR-UHFFFAOYSA-N 381.472 4.810 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c(C)c1 672670 XWXRWFCWMVYTNY-UHFFFAOYSA-N 395.484 4.748 0 40 GJAB O=C(Nc1nccs1)c1c(-c2ccccc2)nn(-c2ccccc2)c1Cl 940102 GKBNVBQMCSIWJY-UHFFFAOYSA-N 380.860 4.902 0 40 GJAB O=C(NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1)Oc1ccccc1 1050502 KIRROZDEMSFVAJ-UHFFFAOYSA-N 394.132 4.769 0 40 GJAB CCc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3 1288043 IKZUMYKFQCPVKI-UHFFFAOYSA-N 393.512 4.848 0 40 GJAB O=C(c1ccc(Cl)cc1)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 1336917 TWTPUDNNJUPKPY-UHFFFAOYSA-N 376.884 4.771 0 40 GJAB COc1ccccc1C(=O)N(CC(C)C)c1nnc(-c2ccccc2C)s1 1345350 BEDKMIMBWSBPCU-UHFFFAOYSA-N 381.501 4.825 0 40 GJAB Cc1[nH]c2c(Cl)cccc2c1CCN1C(=O)OC2(CCCCC2)[C@@]1(C)O 1444470 KBUMGCOIRAVGQK-LJQANCHMSA-N 376.884 4.536 0 40 GJAB CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OCC)ccc3c2=O)cc1 2424943 ZMJLAWROHWNBHG-UHFFFAOYSA-N 382.412 4.859 0 40 GJAB biogenic Cc1sc2nc(S[C@H]3CCCCC3=O)n(Cc3ccccc3)c(=O)c2c1C 2642639 IUHZHDCKTRSODO-KRWDZBQOSA-N 398.553 4.727 0 40 GJAB CC[C@@H](C(=O)OCC(=O)Nc1cc(C(C)(C)C)ccc1OC)c1ccccc1 3217152 LASIUGUSJXEJSI-GOSISDBHSA-N 383.488 4.668 0 40 GJAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1c(Cl)cccc1Cl 3231782 LEKUZWULHVCRAV-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccc(C(C)(C)C)cc1 3259004 OBKPVPIFMXODKU-UHFFFAOYSA-N 389.879 4.507 0 40 GJAB CCc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1 3402298 YYKSREOQIDLYPS-UHFFFAOYSA-N 388.290 4.782 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1C 4077625 MPRKKBOETKTGDW-UHFFFAOYSA-N 376.437 4.786 0 40 GJAB O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccc2c(c1)OCCO2 4264290 SXZJXKRASCPHLW-UHFFFAOYSA-N 381.240 4.627 0 40 GJAB CCCCCOC(=O)CC(CC(=O)OCCCCC)C(=O)OCCCCC 4403548 ZAFQKNMWLKQGSY-UHFFFAOYSA-N 386.529 4.583 0 40 GJAB COc1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1 4655805 WCJXHZGTXOLABI-LICLKQGHSA-N 388.876 4.763 0 40 GJAB CCn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 4785761 RLVBNFZOPGURAB-UHFFFAOYSA-N 386.542 4.622 0 40 GJAB C[C@H]1c2cc3c(cc2CCN1C(=O)c1cc(Cl)cc(Cl)c1)OCCCO3 5425919 UXGDUAYZFFZANA-LBPRGKRZSA-N 392.282 4.914 0 40 GJAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1c[nH]c2ccccc12 6128532 JKEKOTTZHZFCJC-AWEZNQCLSA-N 388.496 4.990 0 40 GJAB C[C@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 7702679 KVNMZZHYWIXEIT-NSHDSACASA-N 391.254 4.669 0 40 GJAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(Br)ccc1Cl 7778693 OKZXEZXKCCSKSW-MRVPVSSYSA-N 384.623 4.906 0 40 GJAB Cc1ccc(-c2noc(CSc3nnc(-c4cccs4)n3C3CC3)n2)cc1 8133069 NNWVBBIHDUNJJU-UHFFFAOYSA-N 395.513 4.992 0 40 GJAB Cc1cccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)c1 8476895 QAKSPRGKHBQBMX-UHFFFAOYSA-N 394.906 4.959 0 40 GJAB COc1ccc(CNC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 8936277 XGSOFLKEONLHKG-UHFFFAOYSA-N 398.553 4.611 0 40 GJAB Cc1cc(N[C@H](C)C(=O)Nc2cccc(Cl)c2C)ccc1N1CCCC1=O 10750091 ITSAYABFIFDHHG-OAHLLOKOSA-N 385.895 4.523 0 40 GJAB CC(=O)N1c2ccc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)cc2C[C@H]1C 12204621 GXNZVCYSBRBTQO-LLVKDONJSA-N 381.863 4.680 0 40 GJAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](/C(C)=C/c2ccccc2)n2ncnc2N1 12289311 AXHNDFIHVJRNGP-RDOKFVIMSA-N 385.471 4.569 0 40 GJAB C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1F 12676979 LJPLCRCQGCJJNV-SGTLLEGYSA-N 391.284 4.656 0 40 GJAB C[C@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 12909111 CLJBSRIKGZFGFB-VOJFVSQTSA-N 381.278 4.803 0 40 GJAB CCCCc1nc2ccccc2n1Cc1nnc2n1-c1ccccc1SC2 13152695 HBLQWXLFRRAJPQ-UHFFFAOYSA-N 375.501 4.614 0 40 GJAB Cc1cccc(OCCNC(=O)c2ccc(CSc3nc(C)cs3)cc2)c1 17641714 LLSNVKURIZIKRP-UHFFFAOYSA-N 398.553 4.861 0 40 GJAB CCCC(=O)N1CCC(c2noc3nc(C(C)C)cc(C(F)(F)F)c23)CC1 19501147 LJKORTPCHSZXHS-UHFFFAOYSA-N 383.414 4.871 0 40 GJAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3scnc3C)CC2)n1 19691434 CAHUCKCHHSLUCS-UHFFFAOYSA-N 377.513 4.842 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)cc(C)c1Cl 20035451 RKFDVEKPGUVLES-INIZCTEOSA-N 397.906 4.535 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCc1cccc(OC)c1 20042004 HBXYVSAOKDUOCZ-QFIPXVFZSA-N 377.484 4.755 0 40 GJAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1C 20196864 KBLUCTAPDXQNCN-UHFFFAOYSA-N 387.892 4.661 0 40 GJAB COc1cc([C@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)ccc1O 20851384 VEOGJBJZTAQPHQ-CQSZACIVSA-N 398.256 4.791 0 40 GJAB CN(Cc1c(F)cccc1Cl)C(=O)CSCc1nc2ccccc2s1 22441296 PORCVPUFISEOLQ-UHFFFAOYSA-N 394.924 4.981 0 40 GJAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc2c(c1)Cc1ccccc1-2 23621086 MPNKCBFZZYZWBC-SFHVURJKSA-N 382.463 4.788 0 40 GJAB O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc(F)cc2)s1 24355703 VAOAVRYJHSDSKM-ZROIWOOFSA-N 377.803 4.806 0 40 GJAB CCOc1cccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 28251629 YZRKBDAPXKQLGJ-UHFFFAOYSA-N 386.904 4.835 0 40 GJAB CCN(CC)Cc1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 32912221 JYFCKVOAYNOPJY-UHFFFAOYSA-N 378.438 4.819 0 40 GJAB Nc1c(C(=O)Nc2ccccc2Cl)sc2nc3cc4c(cc3cc12)OCO4 35316020 GWCATVNKZOSCQO-UHFFFAOYSA-N 397.843 4.666 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)no2)cc1 35673100 JTVVLFCOYQBYPH-UHFFFAOYSA-N 387.439 4.811 0 40 GJAB Cc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36615903 PWXWBKPAUHCDQH-OAHLLOKOSA-N 388.446 4.667 0 40 GJAB COc1ccc(-c2noc(CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 41154612 VKFRTWJHOHQLEM-UHFFFAOYSA-N 396.834 4.624 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(-c3nnco3)c2)cc1 44086325 NQPARTJARSWKCX-FQEVSTJZSA-N 392.459 4.894 0 40 GJAB O=C(Nc1ccccc1Br)c1cnn(-c2ccc(Cl)cc2)c1 44256547 GNDATFZVRNWEOJ-UHFFFAOYSA-N 376.641 4.541 0 40 GJAB CCCOc1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2)cc1OC 48286565 NPEZLGJDPNOZEC-UHFFFAOYSA-N 385.851 4.575 0 40 GJAB CC(=O)Nc1ccc(CN2CCC[C@@H]2c2cccc(Cc3ccccc3)n2)cc1 72358106 BHLVVDLWZGGNKP-RUZDIDTESA-N 385.511 4.968 0 40 GJAB Cc1cccc(Nc2cncc([C@@H]3CCCN3Cc3cn(C)c4ccccc34)n2)n1 72376421 MAIZTOAYVHTJRP-QFIPXVFZSA-N 398.514 4.752 0 40 GJAB CO[C@H](C)c1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)c1 79110626 XROFCGQMCBLDGT-URZJWIJPSA-N 390.487 4.641 0 40 GJAB CC(C)c1sc(Br)nc1C(=O)Nc1ccc(C(F)(F)F)nc1 95474933 XATSRARNBJBKJU-UHFFFAOYSA-N 394.216 4.695 0 40 GJAB CN(C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1)C1CCCCCC1 95958306 IFOBLKDPNUJLEE-UHFFFAOYSA-N 377.492 4.507 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 222891326 IVVRWSYHDWBGSL-HXUWFJFHSA-N 385.504 4.519 0 40 GJAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1ccccc1C(C)C 224571996 BYGADAKFOWYCRI-QGZVFWFLSA-N 385.504 4.552 0 40 GJAB COc1ccccc1O[C@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225131445 XACBQNWWHCCZBY-HXUWFJFHSA-N 380.465 4.921 0 40 GJAB COc1cccc(-c2nnsc2C(=O)Nc2cccc(Cl)c2Cl)c1 225766101 NDKWDCISPKFIRI-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CC(C)CSc1nnc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)s1 225836455 NTWDCEPJJDDPOU-ZDUSSCGKSA-N 393.578 4.990 0 40 GJAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1Br 226254725 DOHOYZPBAWFESD-CYBMUJFWSA-N 388.309 4.662 0 40 GJAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1cc(Cl)ccc1Cl 253399696 JUSZABWOUDJHOQ-KRWDZBQOSA-N 398.336 4.782 0 40 GJAB CCn1ccnc1[C@@H]1OCCC[C@H]1c1nc(-c2cc3cc(Cl)ccc3[nH]2)no1 664899526 XKTDJBJPYQSWFH-RHSMWYFYSA-N 397.866 4.723 0 40 GJAB CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)c1cnc2ccccc2n1 1185737714 ZZAGIEFVMKGZAM-UHFFFAOYSA-N 389.330 4.895 0 40 GJAB Cc1nc(Cl)ccc1COC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 1518355372 ILXLAUACLMXZHO-LSDHHAIUSA-N 380.669 4.653 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3cccc(F)c3F)CC[C@@H]2N1c1cccc(F)c1 1615158535 QVOMJNHSGBYSMG-KUHUBIRLSA-N 388.433 4.624 0 40 GJAB O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(Br)cc1 839472 XVEQDUBFHFPYPV-UHFFFAOYSA-N 377.241 4.815 0 40 GJAB CCc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 888473 NRYYGZDRQWJDBF-UHFFFAOYSA-N 383.542 4.863 0 40 GJAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CCc2ccc(F)cc2)[C@@H]3CCC1 1426382 KWJNPOLWRZUCDQ-JOCHJYFZSA-N 376.475 4.941 0 40 GJAB O=C1[C@@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=S)N1c1ccc(Cl)cc1 1437056 GFBAPUHTSGRVHK-GOEBONIOSA-N 395.336 4.741 0 40 GJAB CC[C@H](C)COC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2264154 RDTKSJFYMKCEBK-AWEZNQCLSA-N 388.471 4.667 0 40 GJAB Cc1ccc2c(c1)C1=C([C@H](c3ccccc3)O2)[C@@H](c2cccs2)N2N=CNC2=N1 2707274 MWQROICGVSRTNC-YADHBBJMSA-N 398.491 4.861 0 40 GJAB CCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1C 3308170 WVLRDUDQEAWUAS-UHFFFAOYSA-N 377.469 4.943 0 40 GJAB COc1ccc(OC)c(NC(=O)CCCSc2nc3ccccc3s2)c1 3415466 FEJNBZICUINESC-UHFFFAOYSA-N 388.514 4.825 0 40 GJAB O=C(c1cccs1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 4273310 XQBLBKOQXSHQNB-UHFFFAOYSA-N 387.436 4.878 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](CC(C)C)NC(=O)C1CCCCC1 4778524 BYHXOYSPCGQFRM-GOSISDBHSA-N 394.943 4.707 0 40 GJAB Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccc(Cl)cc1 4882529 QLFSLUALKLAREF-UHFFFAOYSA-N 396.899 4.532 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 5077452 FMVZEAWAUWJGLY-UHFFFAOYSA-N 387.867 4.593 0 40 GJAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)cc1OC 5158155 FKRPXPXSMAVQSM-HUVFLSCGSA-N 399.506 4.711 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1nn(-c2ccccc2C)c(=S)s1 5290488 GTLJORDYJDHSBO-CQSZACIVSA-N 393.603 4.855 0 40 GJAB Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3)=NN1C1(CCN(C)CC1)O2 5297861 WSYCOLYBQFRUFP-HXUWFJFHSA-N 381.907 4.614 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@@H](C)c3nnc(-c4ccccc4)o3)n2)cc1 5318623 WZCQSNKJRUIPTC-ZDUSSCGKSA-N 377.473 4.937 0 40 GJAB Cc1cc(OCc2ccc3ccccc3c2)c2c(C)c(CC(=O)O)c(=O)oc2c1 5547191 GYWCTPNEZWSDPY-UHFFFAOYSA-N 388.419 4.769 0 40 GJAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NC(c1ccccc1)c1ccccc1 5628392 SSCYERBFSJCQSN-MRXNPFEDSA-N 387.508 4.949 0 40 GJAB Nc1cc(Nc2ncnc3sc4c(c23)CCC4)ccc1OC(F)(F)C(F)F 5688626 RZJWTNLFROVRSV-UHFFFAOYSA-N 398.385 4.743 0 40 GJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 6564052 BWAWTDCNPUDDRM-UHFFFAOYSA-N 397.544 4.591 0 40 GJAB Cc1ccc(CSc2ncc(Cl)c(C(=O)NCc3ccccc3)n2)cc1 6748013 AEUUSOMOYRTXIF-UHFFFAOYSA-N 383.904 4.661 0 40 GJAB Cc1oc2cc(OCCN3CCC(C)CC3)ccc2c(=O)c1-c1ccccc1 6759870 TVOBNHUCFROZPS-UHFFFAOYSA-N 377.484 4.879 0 40 GJAB biogenic FC(F)(F)c1nc(NC[C@@H](c2ccco2)N2CCCCC2)c2ccccc2n1 7989435 PKQDUXJWSYWDPF-INIZCTEOSA-N 390.409 4.881 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1 8162358 SHMWXXREGDVSOQ-UHFFFAOYSA-N 377.440 4.795 0 40 GJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@H](C)c1ccccc1 8187262 KHTZLDUNVVHBCW-KGLIPLIRSA-N 398.557 4.700 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 8851032 OAVCPTHUKCLCPP-HNNXBMFYSA-N 392.480 4.948 0 40 GJAB S=C(c1cccc(Br)c1)N1CCN(c2cccc(Cl)c2)CC1 9188018 IHXSQYLRIKIOBB-UHFFFAOYSA-N 395.753 4.600 0 40 GJAB COc1ccc(SCCC(=O)Nc2nc3c(F)cc(F)cc3s2)cc1 10219626 FQMUBGBMRBSWAT-UHFFFAOYSA-N 380.441 4.704 0 40 GJAB COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1 11690647 BQYYNDOWJFEAKG-UHFFFAOYSA-N 383.831 4.958 0 40 GJAB O=C(O)Cc1csc(-c2ccc(Oc3ccc(Br)cc3)cc2)n1 11860345 ZDBLWVGSTKOMTI-UHFFFAOYSA-N 390.258 4.992 0 40 GJAB COc1ccc(Br)c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 12914456 MWYHCNYTGKBJFN-QGZVFWFLSA-N 394.696 4.992 0 40 GJAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 13167892 TUCKEINVGUGZBC-UHFFFAOYSA-N 381.815 4.870 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13685483 ZDMFSDYMJFONMJ-QGZVFWFLSA-N 390.483 4.776 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccc(Cl)c(Cl)c1 13695902 AIPJWOJIHFEWEW-UHFFFAOYSA-N 375.255 4.545 0 40 GJAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 13710356 WYFIPBHFBOJPLY-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB C[C@@H]1Sc2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc2NC1=O 14376858 CWVLCPWOHVMCHI-JTQLQIEISA-N 399.472 4.634 0 40 GJAB Cc1ccc(CSCCNC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1 15031938 GFIJNHCQVGPFHG-UHFFFAOYSA-N 393.556 4.520 0 40 GJAB Cc1nc2cc(NC(=O)/C=C/c3cc(Br)ccc3F)ccc2o1 15596296 YWYMGDALZIXSJI-FARCUNLSSA-N 375.197 4.690 0 40 GJAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)CC3CCCCC3)CC2)C1 19019850 OCUOEFCYNGNJIF-UHFFFAOYSA-N 384.564 4.621 0 40 GJAB C[C@@H](Oc1ccccc1F)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 19079738 FNEMMOJAMPHFEC-JLTOFOAXSA-N 384.838 4.547 0 40 GJAB CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)cn1 19524920 JMPYGEJANCLVON-OAQYLSRUSA-N 380.492 4.684 0 40 GJAB COc1cccc([C@@H]2CCCN2C(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c1 19662130 ADDJJMPBQHZDIS-FQEVSTJZSA-N 393.874 4.783 0 40 GJAB O=c1cc(-c2ccc(Cl)cc2)nc(Nc2nc(-c3ccccc3)cs2)[nH]1 19819619 RYWNZGLNCISMHY-UHFFFAOYSA-N 380.860 4.957 0 40 GJAB COc1ccc(-c2csc3nc(CNc4cccc(Cl)c4)[nH]c(=O)c23)cc1 19926598 ZIULPFFEHGNZQM-UHFFFAOYSA-N 397.887 4.926 0 40 GJAB COc1ccc([C@H]2SCC(O)=Nc3n[nH]cc32)cc1OCc1ccc(F)cc1 20739389 SWUSYDCSAFGXOL-LJQANCHMSA-N 399.447 4.561 0 40 GJAB CN(C)C[C@@H](N[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 22789444 ZIVTYNYWZTVDRW-RPBOFIJWSA-N 397.522 4.984 0 40 GJAB Cc1noc(CSc2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2)n1 24983700 DNMBPAFSMNZFIM-UHFFFAOYSA-N 393.390 4.941 0 40 GJAB O=C(CCCCc1nc2ccccc2s1)N1CCO[C@@H](c2ccccc2)C1 30765742 IVHQXLGPIJPPKP-LJQANCHMSA-N 380.513 4.609 0 40 GJAB Cc1nc(NC(=O)c2ccccc2)sc1-c1nc(-c2ccc(F)cc2)no1 31812931 ZDXZCOVHLOZOIG-UHFFFAOYSA-N 380.404 4.560 0 40 GJAB Cc1sc2nc(NCc3ccco3)n3nc(-c4ccccc4)nc3c2c1C 32094699 HRUUDHNIUALDHK-UHFFFAOYSA-N 375.457 4.828 0 40 GJAB O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(O)n1)c1ccccc1 32778450 HTKXAMBZACLEPO-UHFFFAOYSA-N 398.296 4.588 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872169 OLBNJFSRSRAHPA-LJQANCHMSA-N 394.559 4.664 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65814483 WKIDXKASEYYEKL-LPOKXYRGSA-N 383.923 4.544 0 40 GJAB COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1 68339503 RVVYNPGGXLXMHD-NRFANRHFSA-N 393.462 4.521 0 40 GJAB CCN(CC)c1nc2sc(C(=O)Nc3ccc4oc(=O)ccc4c3)cc2s1 69416064 CIUAVRLVIVKUSP-UHFFFAOYSA-N 399.497 4.563 0 40 GJAB CC[C@@](C)(NC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 72294562 CAKJFEOAGKNXHG-OAQYLSRUSA-N 380.469 4.594 0 40 GJAB COc1ccc([C@@H]2CCCN2c2cc(C(=O)OCc3cccs3)ccn2)cc1 72307774 DPTREZDXLFQIQI-FQEVSTJZSA-N 394.496 4.850 0 40 GJAB C[C@@H](C(=O)N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1ccccc1 72396962 VMYVZYRJFSDZHQ-IERDGZPVSA-N 393.918 4.882 0 40 GJAB CC(C)c1csc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)n1 84630764 LBEMEBHCUSWORG-CYBMUJFWSA-N 387.530 4.702 0 40 GJAB CCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc(OC)c(OC)c1 100676484 NOJVJYOXMCSLSP-UHFFFAOYSA-N 381.428 4.524 0 40 GJAB O=C(Nc1cccc(Oc2cnccn2)c1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103120449 RANQBLGCZKMQNP-VKFLQFAXSA-N 383.879 4.785 0 40 GJAB O=C(c1ccc2nsnc2c1)N1CCS[C@H](c2ccccc2Cl)CC1 206994785 CZMGCJFKVJVASZ-KRWDZBQOSA-N 389.933 4.665 0 40 GJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccccc1CN1CCCC1 224804593 YCLIJSOZZZORSS-UHFFFAOYSA-N 391.342 4.838 0 40 GJAB COc1ccc(CCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225315374 AYGNTXSJIDEHEK-UHFFFAOYSA-N 399.741 4.640 0 40 GJAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225516165 OCHXJGWTDGIDAH-UHFFFAOYSA-N 384.495 4.607 0 40 GJAB CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3)nc2c1 226344501 KFRVQZCSNFDQOZ-UHFFFAOYSA-N 379.641 4.823 0 40 GJAB CC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 408624815 CBYYTNZFDOXUQE-UHFFFAOYSA-N 380.256 4.635 0 40 GJAB CC1=C(C(N)=O)[C@H](c2ccccc2)N2C(c3ccc(Cl)cc3)=CSC2=N1 408989697 LKCCWZMOIRQYDM-SFHVURJKSA-N 381.888 4.557 0 40 GJAB O=S(=O)(c1ccc2c(c1)-c1ccccc1C2)N1CCS[C@H]1c1ccccc1 629885 WZJLZGKZNABKIE-QFIPXVFZSA-N 393.533 4.694 0 40 GJAB Fc1ccc(Cc2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)cc1 632740 OXSWSCRTROTXPG-UHFFFAOYSA-N 378.354 4.602 0 40 GJAB C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1 1381376 XLTODNMXEQYVEI-MRXNPFEDSA-N 397.519 4.717 0 40 GJAB CC(C)N(C(=O)CSc1nc2ccccc2n1Cc1ccccc1)C(C)C 1381407 IBHSJOONMJWCRJ-UHFFFAOYSA-N 381.545 4.822 0 40 GJAB CCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 1769972 BETGBLHFKZYXKK-OAHLLOKOSA-N 382.412 4.614 0 40 GJAB biogenic COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccccc1SC(F)(F)F 2293340 VJQTZBXBYHAICY-HNNXBMFYSA-N 385.363 4.597 0 40 GJAB COc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccc(C)cc1 2688689 ANBHPSNNABSMQF-UHFFFAOYSA-N 383.447 4.598 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nc(-c2cccc(C)c2)ns1 2917534 LYDPGNVFOMZEPP-UHFFFAOYSA-N 385.514 4.643 0 40 GJAB O=C1CCC[C@H]1[C@H](Nc1ccc(I)cc1)c1ccccc1 3085797 DGQNMZQQSHHYKF-SJLPKXTDSA-N 391.252 4.814 0 40 GJAB O=C(CSc1nncn1-c1ccccc1)N(C1CCCCC1)C1CCCCC1 3443005 XHAJTVKRMUODOG-UHFFFAOYSA-N 398.576 4.853 0 40 GJAB O=C1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(=O)OCCc1ccccc1 4886774 BLWXWRNPYHUOTD-CAOCKLPOSA-N 384.475 4.929 0 40 GJAB CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3F)=NN12 5093378 MYRVDBWBHYRUIM-NRFANRHFSA-N 379.479 4.571 0 40 GJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1ccc(Cl)cc1 5146704 IRZZHVUCKQQCBI-UHFFFAOYSA-N 381.888 4.575 0 40 GJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)c(OC)c1 5162460 MVSZIESXWTZSRG-QDSKXPNFSA-N 399.506 4.711 0 40 GJAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 5178191 QAKVVKVPFMQARF-LADGPHEKSA-N 386.451 4.946 0 40 GJAB FC(F)Sc1ccc(C2=NN3C(Cc4ccccc4)=NSC3=NC2)cc1 5244616 VQYXIVHYBGJKFQ-UHFFFAOYSA-N 388.468 4.680 0 40 GJAB O=C1N(Cc2cccs2)c2ccc(Cl)cc2[C@@]1(O)c1c[nH]c2ccccc12 5323013 MGXSLYXUYSMHDT-OAQYLSRUSA-N 394.883 4.666 0 40 GJAB CC[C@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 6122308 AVPZDYPISIYXHA-JTQLQIEISA-N 377.897 4.659 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)CSc3ccc4c(c3)OCCCO4)c2C)no1 6436956 XOUKKJOADALKCM-UHFFFAOYSA-N 398.484 4.527 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccc(C)c(C)c3)n2)cc1 6510860 YPDAQSNDUJFJMO-UHFFFAOYSA-N 379.485 4.567 0 40 GJAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cc2c(s1)CCC2 6657581 GIDYNKQSEKGUAB-IBGZPJMESA-N 387.508 4.827 0 40 GJAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1F 6943164 XBJIDCAMIXNITN-UHFFFAOYSA-N 397.833 4.793 0 40 GJAB O=C(Nc1ccccc1SCc1ccccc1)[C@@H]1COc2ccccc2O1 7280932 BWOFPUWKGDDISL-FQEVSTJZSA-N 377.465 4.757 0 40 GJAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(Cl)cc1 7990459 WDZVTVFNBRIMKU-UHFFFAOYSA-N 376.869 4.896 0 40 GJAB CCN(CC)Cc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 9062700 ZJMIBZQXFCJCFC-UHFFFAOYSA-N 397.538 4.518 0 40 GJAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 10422199 SRTGMVNFOQTZRW-UHFFFAOYSA-N 395.422 4.636 0 40 GJAB COc1ccccc1C(=O)N1CCC[C@H](c2cc3c(C)c(OC)ccc3cn2)C1 12187850 QSQWJZRUMLQYNX-SFHVURJKSA-N 390.483 4.580 0 40 GJAB O[C@H](c1ccccc1)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 12376022 OSGOZHKZSWELNI-OAQYLSRUSA-N 378.859 4.850 0 40 GJAB COc1ccccc1[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1nccn1C 12601175 CDFCXGUOMPVHFW-HNNXBMFYSA-N 396.800 4.697 0 40 GJAB Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)no1 12634498 CQPLBFDHMSUHHI-UHFFFAOYSA-N 390.468 4.771 0 40 GJAB CSc1cccc(NC(=O)CCC(=O)c2ccc(Br)cc2)c1 12999866 JTOTWUHLIGYFCF-UHFFFAOYSA-N 378.291 4.773 0 40 GJAB O=C(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)NCc1cccs1 13716682 GECWKZYYJDRUGH-UHFFFAOYSA-N 384.888 4.513 0 40 GJAB COCc1c(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)sc2cccc(F)c12 16104310 WNAJOVKJJUCBML-UHFFFAOYSA-N 395.358 4.761 0 40 GJAB CCN(CC)CCNCc1c(OCc2ccccc2F)ccc2ccccc12 19691215 LLGGRPQBQDCQQO-UHFFFAOYSA-N 380.507 4.989 0 40 GJAB COc1cccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 20039748 UDKMUIABDICYAT-JPYJTQIMSA-N 375.468 4.677 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1OCC 20047512 BOEUDYMVYPHSMT-HXUWFJFHSA-N 385.504 4.575 0 40 GJAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)c(C)c1 20457063 NGZJQCCQEDBPJS-INIZCTEOSA-N 390.321 4.939 0 40 GJAB C[C@H](OC(=O)/C=C/c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl 20867950 HMRPYMQWBDIARN-VKJYCEFSSA-N 382.218 4.716 0 40 GJAB Cc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2C)N2CCC(C)CC2)o1 21659820 PSAAMDJFPSEABS-LJQANCHMSA-N 380.488 4.846 0 40 GJAB CC(=O)c1c(C)cc(C)c(CSc2nnc(N3CCCC3)n2C2CC2)c1C 22539402 AGJUOWQVJVMGSW-UHFFFAOYSA-N 384.549 4.633 0 40 GJAB CC(C)(C)c1ccc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 23227801 YCCMNDJRKDMFHS-JXMROGBWSA-N 390.571 4.774 0 40 GJAB CC(C)Oc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 27662511 OJUADLYIVSZNJG-HXUWFJFHSA-N 386.561 4.882 0 40 GJAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)Nc1cccc(F)c1 28305349 WREPQMZSZWHZRK-UHFFFAOYSA-N 390.365 4.598 0 40 GJAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccc4ccccc4c3)c2C)c1 32610615 PMRSHNLUJNYWJE-UHFFFAOYSA-N 385.467 4.962 0 40 GJAB CCOc1ccc(-n2c(S[C@H](C)c3nc(C)no3)nc3ccccc32)cc1 32905975 NUBGNOICBHGQHC-CYBMUJFWSA-N 380.473 4.969 0 40 GJAB COc1ccc(NC(=O)c2sc3ncn(C4CCCCC4)c(=O)c3c2C)cc1 35672925 JHPJYFSMMSLNMP-UHFFFAOYSA-N 397.500 4.533 0 40 GJAB Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCCC2)cc1 40615470 NGEQJGCIYVDIHK-IBGZPJMESA-N 376.422 4.581 0 40 GJAB O=C(Nc1ccccc1)c1cc(C(F)(F)F)cc(C(=O)Oc2ccccc2)n1 43804495 VNMLTRYFZLLJLX-UHFFFAOYSA-N 386.329 4.572 0 40 GJAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(Oc2ncccn2)c1 44243916 IGLGEWPXDDMGET-KRWDZBQOSA-N 380.473 4.872 0 40 GJAB CN(Cc1ccccc1)C(=O)c1ccccc1SCc1cn2ccccc2n1 44668306 UEQUGCHJJZXEIZ-UHFFFAOYSA-N 387.508 4.899 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 44911935 OPNMHVBURWWLEK-KRWDZBQOSA-N 394.515 4.656 0 40 GJAB Clc1ccc(-c2nnc([C@H]3CCN(Cc4c[nH]c5ccccc45)C3)o2)cc1 49169422 VOBCIZMIGVQRET-HNNXBMFYSA-N 378.863 4.861 0 40 GJAB biogenic,in-vitro Cc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(Cl)c4)c3N)n2)cc1 49421762 SYXYQGJMUFZDJE-UHFFFAOYSA-N 381.892 4.910 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccccc1C(F)(F)F 51364539 NDIQUPAQWVVITO-HNNXBMFYSA-N 398.384 4.864 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(Cc1ccccn1)C1CC1 52953787 UARZYYGIHPWEPV-UHFFFAOYSA-N 383.904 4.972 0 40 GJAB CC(C)c1ccc(-c2nc(CNc3cccc(S(C)(=O)=O)c3)cs2)cc1 53599366 SIIJRCBTXCDTKS-UHFFFAOYSA-N 386.542 4.949 0 40 GJAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(F)c1 57486710 MZMCPHKTQBEYOB-UHFFFAOYSA-N 396.809 4.636 0 40 GJAB Cc1ccsc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57622095 PRLICZNHAOCLOB-UHFFFAOYSA-N 391.540 4.631 0 40 GJAB CC(=O)N(C)Cc1cccc(NC(=O)[C@@H](SCc2ccccc2)C(C)C)c1 58297709 MSKGKPZFYCPVFO-NRFANRHFSA-N 384.545 4.561 0 40 GJAB CCN(C[C@@H]1CCOC1)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 64320093 PXOXSNSFHAIMKV-ZDUSSCGKSA-N 387.530 4.600 0 40 GJAB Nc1c(Br)cc2nc(Cc3ccccc3)oc2c1Br 70461412 SHJULUYYNYFMMG-UHFFFAOYSA-N 382.055 4.526 0 40 GJAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1 70640037 CACSRFNUOTZUOW-HXUWFJFHSA-N 399.412 4.687 0 40 GJAB Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)cnc1N1CCCCC1 72219156 VRVUQVMYGZYTPL-OAQYLSRUSA-N 379.504 4.854 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)N3C[C@H]4CCCC[C@]43c3ccccc3)c12 84066711 RVRJGGSDHCZEAE-KOSHJBKYSA-N 387.483 4.950 0 40 GJAB COC(=O)c1scc(-c2ccccc2)c1NC(=O)CSc1ccccc1 96182296 NBXJBOQJUSOTMG-UHFFFAOYSA-N 383.494 4.933 0 40 GJAB Cc1cc(C)cc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2cccs2)c1 100423807 MRGKAEJOUFUMCV-OALUTQOASA-N 385.602 4.847 0 40 GJAB Cc1cc(C)c(C)c(OCC(=O)NCCSCc2c(F)cccc2Cl)c1 218965776 WVWLWCFPKNBRGI-UHFFFAOYSA-N 395.927 4.833 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 223196768 CSFRAPBCCRWLSY-SFHVURJKSA-N 397.500 4.627 0 40 GJAB CC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)c(C)c1 223296472 WHKFQUJVDUIHHO-INIZCTEOSA-N 382.287 4.957 0 40 GJAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3OC)c2)cc1 224242739 LPWCRSYPVRXJAJ-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(C)c(C)c1 224297331 JVLTYZZFTOCULY-UHFFFAOYSA-N 393.458 4.960 0 40 GJAB Cn1c(=O)sc2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc21 225047769 NAQBHBXQONYYFS-UHFFFAOYSA-N 388.492 4.638 0 40 GJAB O=C(c1ccccc1F)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225262847 FALKKOBAYABXHI-LICLKQGHSA-N 383.473 4.532 0 40 GJAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc3sncc3c2)n1 225916091 ABJSGKBEGKMBLD-UHFFFAOYSA-N 375.457 4.699 0 40 GJAB CCCCOc1cccc(C(=O)Nc2c(C)cc(N)cc2Br)c1 226763251 YQEMOWINDDUYHP-UHFFFAOYSA-N 377.282 4.771 0 40 GJAB O=C(N1CCC(Oc2ccncc2Cl)CC1)C1(c2cccs2)CCCC1 253470996 AKYRNKXJLRJQSS-UHFFFAOYSA-N 390.936 4.678 0 40 GJAB Clc1ccc(CN2CCCC[C@H]2c2ccc(Nc3cnccn3)nc2)cc1 257239822 HQXYVCDRCJLMDB-IBGZPJMESA-N 379.895 4.996 0 40 GJAB COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C 408552495 QDBRRSTZNAMDRV-UHFFFAOYSA-N 380.680 4.765 0 40 GJAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)c1 408640171 HNPGAHSSZMBMRI-GOSISDBHSA-N 386.451 4.779 0 40 GJAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)c1 408699642 VJTOGOOOBOJGJK-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB O=C(O)c1cccc2c1N[C@H](c1ccc3c(c1)OCO3)[C@@H]1Cc3ccccc3[C@@H]21 408994113 FXETWQSUGKXKEZ-BVYCBKJFSA-N 385.419 4.585 0 40 GJAB C[C@H](NCc1cc(-c2cnn(C)c2)no1)c1ccc(Cl)c(Cl)c1Cl 1559701469 VMJHCQRQYFKLSZ-VIFPVBQESA-N 385.682 4.886 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4oc3=O)n2)cc1C 950477 PPDWIPUIGLYVCZ-UHFFFAOYSA-N 376.437 4.786 0 40 GJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(C(=O)OC)cc1 1340020 JTVGYYMJFCEHHJ-UHFFFAOYSA-N 394.496 4.623 0 40 GJAB O=C1O[C@H](c2ccc(Br)cc2)C2(CCCC2)C(=O)C12CCCC2 1440403 CUZBXCADALNELD-OAHLLOKOSA-N 377.278 4.737 0 40 GJAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc3ccccc3c2)cc1C 2079620 UQPXJBVSRQMMNT-UHFFFAOYSA-N 389.451 4.601 0 40 GJAB CCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12 2369315 IFHSFQZTFKPVLT-UHFFFAOYSA-N 388.471 4.892 0 40 GJAB O=S1(=O)c2ccccc2N[C@H](c2ccc(Cl)cc2)N1CCc1ccccc1 2532739 WSRQFGRXCBHQAD-NRFANRHFSA-N 398.915 4.698 0 40 GJAB CCc1ccc(OCc2nnc(S[C@@H]3CCCCC3=O)n2CC(C)C)cc1 2657014 JWNVWAUVOYWUKZ-LJQANCHMSA-N 387.549 4.679 0 40 GJAB COCCNc1nnc(SCC(=O)c2ccc(C3CCCCC3)cc2)s1 3352621 XZRCYMUVLNHJFW-UHFFFAOYSA-N 391.562 4.619 0 40 GJAB C[C@@H](CCC(=O)O)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 3850242 XWJTYEGVQBFZHI-LCECTTKRSA-N 390.564 4.542 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1 4070821 RWVWEAQOYUVRMB-UHFFFAOYSA-N 395.303 4.895 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 4704858 HXVIQAJGQMBZCU-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB CCCCN(C(=O)COc1ccccc1)c1nnc(-c2cccc(C)c2)s1 4982516 WIKYNNBUHFUQJK-UHFFFAOYSA-N 381.501 4.726 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1c(F)cccc1Cl 5136168 TVODWVMQOQDMNZ-UHFFFAOYSA-N 398.821 4.917 0 40 GJAB O=C(/C=C/c1ccccc1)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 5389815 RXXURPGSOGAPJQ-SWOYPMQOSA-N 379.475 4.734 0 40 GJAB O=C(NC1CCN(Cc2ccccc2)CC1)C1c2ccccc2Oc2ccccc21 5451244 UWQDGCAENPSCTL-UHFFFAOYSA-N 398.506 4.705 0 40 GJAB O=c1c2c(nc3n1CCCS3)c1ccccc1n2Cc1c(F)cccc1Cl 5451548 CMRAVZNNVZYRMA-UHFFFAOYSA-N 399.878 4.688 0 40 GJAB COc1ccc(Br)cc1CN(C)C(=O)c1oc2ccccc2c1C 5458719 RERALUULRYCWDG-UHFFFAOYSA-N 388.261 4.785 0 40 GJAB CCCCCCc1cc2c3c(c(=O)oc2cc1O[C@@H](C)C(=O)OC)CCCC3 5548384 WGBGKLCXZPNGIA-HNNXBMFYSA-N 386.488 4.735 0 40 GJAB O=C(CSc1ccc2ccccc2n1)Nc1ccc(OC(F)(F)F)cc1 5627342 OXFAEVLWDHKGMS-UHFFFAOYSA-N 378.375 4.864 0 40 GJAB CCOc1ccccc1NC(=O)CCCOc1cccc(Br)c1 6303994 CNSFQVYKQBHFNM-UHFFFAOYSA-N 378.266 4.646 0 40 GJAB O=C(NC(=S)Nc1ccccn1)c1sc2cc(Cl)ccc2c1Cl 6393699 AFYHZAMXWPAOBC-UHFFFAOYSA-N 382.297 4.730 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 6433939 LHSQLCHNQKOVRB-JOCHJYFZSA-N 376.456 4.678 0 40 GJAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2nc(-c3ccccc3)cs2)C(C)C)cc1 6779450 AVGWIRDJFAJIGM-IBGZPJMESA-N 393.512 4.512 0 40 GJAB CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OC 6959139 DLJMCMILKHIDND-JSDDMWTDSA-N 396.940 4.836 0 40 GJAB O=C(COc1ccc(Cl)c2cccnc12)Nc1cccc(Br)c1 7612335 QBNFFBJHXIWIDJ-UHFFFAOYSA-N 391.652 4.668 0 40 GJAB c1ccc(-c2nnc(CSc3nnc(C45CC6CC(CC(C6)C4)C5)o3)o2)cc1 8410870 KFXFGFHQPJLCMB-UHFFFAOYSA-N 394.500 4.880 0 40 GJAB CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccncc4)cc3o2)cc1 9660296 ZGTMACGYKFADLI-UHFFFAOYSA-N 386.407 4.506 0 40 GJAB biogenic COc1ccc([C@@H]2CCCN2C(=O)Nc2nc3ccccc3s2)c(OC)c1 10202406 PQZYENZMXYHVRN-INIZCTEOSA-N 383.473 4.683 0 40 GJAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cc(Cl)cc(Cl)c1 12871745 ANLKLPITZBUQNR-UHFFFAOYSA-N 395.330 4.655 0 40 GJAB COc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 13564052 IXKMRGOQLGZODC-KRWDZBQOSA-N 385.467 4.584 0 40 GJAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13684691 ACFZPIYWSZFOJV-UHFFFAOYSA-N 388.467 4.656 0 40 GJAB O=C1C[C@H](c2cc(F)ccc2F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15107228 RXVDCEJQMKEFQJ-CYBMUJFWSA-N 385.391 4.866 0 40 GJAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(C[C@H]2CC=CCC2)C1 19400457 ANZNQKFCIDZDIG-SGIRGMQISA-N 395.591 4.888 0 40 GJAB N=c1n(CCOc2ccccc2)c2ccccc2n1Cc1ccccc1Cl 20123735 FUFWJPHDFNIKTA-UHFFFAOYSA-N 377.875 4.703 0 40 GJAB COc1ccc(-c2cc3nc(C)cc(Nc4ccc(F)cc4)n3n2)cc1OC 21150295 AUYGSGZTHVIIGN-UHFFFAOYSA-N 378.407 4.605 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccncc2)no1 22462130 FTGNGROUQKEOGX-UHFFFAOYSA-N 390.830 4.633 0 40 GJAB C[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1Cl 24364492 JVFQLHFJANPFHZ-AWEZNQCLSA-N 386.879 4.671 0 40 GJAB C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@@](=O)Cc1cccc(Cl)c1 24829290 FTWPSMBKSKPHQB-HWRSSNJWSA-N 377.937 4.913 0 40 GJAB Cc1ccc2c(c1)SCC(=S)N2C(=O)c1ccc(Br)cc1 28527640 BDDXKZRVBXQARA-UHFFFAOYSA-N 378.316 4.837 0 40 GJAB Cc1cccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 30856567 PGZOILDJVWFZQD-UHFFFAOYSA-N 384.523 4.920 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)c1C 30864356 RXONLPSFUVPLBN-SFHVURJKSA-N 375.852 4.621 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30938702 OKEOLCWRQWFMRF-CQSZACIVSA-N 381.278 4.983 0 40 GJAB Cc1ccc2[nH]c3c(SCC(=O)Nc4cccc(C)c4C)ncnc3c2c1 33172552 PAGQYQQSLIASBR-UHFFFAOYSA-N 376.485 4.767 0 40 GJAB CCC[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 33505346 JZWLSXINEVHWEP-FRRDWIJNSA-N 388.460 4.535 0 40 GJAB biogenic,in-vitro Clc1ccc(-c2cs/c(=N\c3ccccc3)n2-n2cnnc2)cc1Cl 33622183 HGLQBVUSLUXVMF-XLNRJJMWSA-N 388.283 4.659 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 33820762 XNTYYYINMGRBQW-ZSZPYHQRSA-N 388.548 4.894 0 40 GJAB Cc1cc2cc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc(Cl)c2o1 35316746 OMLJBRJPQQXRBI-HNNXBMFYSA-N 382.847 4.695 0 40 GJAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@H]2C(=O)N(C)c1ccccc1 36576014 PQIMHSDNQHSYKN-KRWDZBQOSA-N 394.862 4.708 0 40 GJAB CC(C)(C)c1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)o1 42570425 NTBCQDBENMWHKW-UHFFFAOYSA-N 393.512 4.923 0 40 GJAB CC(C)CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078903 GVZPEAUJWCAWRI-UHFFFAOYSA-N 384.907 4.709 0 40 GJAB CC(C)c1ccc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 49547031 SHIRDUNJXYUWGL-GOSISDBHSA-N 378.497 4.771 0 40 GJAB Cc1ccc(CN(C)C(=O)CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)o1 71954676 DJCHZJPWDJZGKF-UHFFFAOYSA-N 381.303 4.518 0 40 GJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCCN2C=O)cn1 72215834 NESNEZPOGBWMEV-IBGZPJMESA-N 381.476 4.838 0 40 GJAB C[C@@H](Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc12)c1ccccc1 72328514 BTHJHIBBQWBMRO-OAHLLOKOSA-N 395.503 4.736 0 40 GJAB COc1nc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)cc2ccccc12 83915484 KSEVKJOPRWQLOF-UHFFFAOYSA-N 381.863 4.749 0 40 GJAB COCCCn1c(SCc2cccs2)nnc1-c1ccccc1Cl 96997878 LZFIIPULIGKLRZ-UHFFFAOYSA-N 379.938 4.989 0 40 GJAB Cc1cccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2cccc(C)c2)C3)c1 100426217 AXUPIZQCDWPEMH-FGZHOGPDSA-N 391.515 4.651 0 40 GJAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1)c1ccc(F)cc1 196686438 SPXRYWVMQIKHKN-UHFFFAOYSA-N 375.852 4.875 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1Cc1ccco1 222820071 HYUHPBQVOYTBLR-LEWJYISDSA-N 394.544 4.522 0 40 GJAB CC(C)Sc1nnc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)s1 223167484 MIGGYAZGDJXYKY-LBPRGKRZSA-N 379.551 4.742 0 40 GJAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225204100 CITOIJLVKAYWAL-CQSZACIVSA-N 381.480 4.715 0 40 GJAB Cc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1N1CCCC1=O 225337009 FRDPFWVRTLXTSF-UHFFFAOYSA-N 391.298 5.000 0 40 GJAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C(=O)OC 225682851 IKUDQESDYUOFKU-UHFFFAOYSA-N 399.462 4.852 0 40 GJAB CCOc1ccc(C2(NC(=S)Nc3cccc(C(=O)OC)c3)CCCC2)cc1 225862770 MVJLAAXQHBWNQO-UHFFFAOYSA-N 398.528 4.628 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 257290422 QCXCNIIMBOLHJQ-IBGZPJMESA-N 381.863 4.600 0 40 GJAB COc1cc(N)c([C@H]2N[C@@H](C)Cc3c2[nH]c2cc(Cl)c(F)cc32)cc1Cl 261508974 YSJVBYYUXMVASZ-WPCRTTGESA-N 394.277 4.828 0 40 GJAB O=C1S/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)N1CCc1ccccc1 409005919 HDAPEHRNXNEPKU-DHDCSXOGSA-N 394.279 4.978 0 40 GJAB CCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccccc1 409100006 PDFZZLJHWZHKPQ-UHFFFAOYSA-N 394.544 4.957 0 40 GJAB CCOc1ccc(Oc2ccccc2NC(=O)N2CCC[C@@H](OC)CC2)cc1 679954854 RNNGDOPABIOMML-QGZVFWFLSA-N 384.476 4.910 0 40 GJAB Cc1sc2nc(C(C)C)nc(SCC(=O)NCCc3ccccc3)c2c1C 1340385 FEZPVIQJMZWJSJ-UHFFFAOYSA-N 399.585 4.883 0 40 GJAB CCc1ccc2nc(-c3ccccc3)nc(SCC(=O)N3CCCCC3)c2c1 1367652 LPMMHKZEGWTSOQ-UHFFFAOYSA-N 391.540 4.964 0 40 GJAB COc1ccc(CNCC[C@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)cc1 4073327 ZARVEZQRYMEMMI-RPBOFIJWSA-N 397.559 4.957 0 40 GJAB biogenic CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O 4469425 PJURFBCOOGSJLB-UHFFFAOYSA-N 399.535 4.517 0 40 GJAB CC(C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 4695976 VXSCZTAHWYMJMG-OVCLIPMQSA-N 391.832 4.743 0 40 GJAB Cc1nnsc1C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 4785354 LSJHEAXXOZXBCN-UHFFFAOYSA-N 397.843 4.729 0 40 GJAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1F)c1ccccc1 5632557 XPTJBPANXLZPMG-CQSZACIVSA-N 380.394 4.708 0 40 GJAB Cc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c(Cl)c1 6501648 IHZRWUVGXOXIAY-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3cccc(F)c3)cc1)S[C@@H](C)C(=O)N2 6678718 QGPVDZRWYFKJHP-ORAYPTAESA-N 397.475 4.599 0 40 GJAB CCCCn1c([C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 6753167 YIDLUPQYEQHHSI-QGZVFWFLSA-N 377.488 4.756 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c1C 6788796 INCMOVMAKSOPRF-UHFFFAOYSA-N 388.493 4.768 0 40 GJAB O=C(COC(=O)CCC1CCCC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 7777401 BNLGWMYSDQERSV-UHFFFAOYSA-N 394.443 4.540 0 40 GJAB C[C@H](NC(=O)CSc1nccn1Cc1ccccc1)c1cc2ccccc2o1 8215776 ZPTRHYNLMUQABY-INIZCTEOSA-N 391.496 4.647 0 40 GJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2cccc3ccccc23)cc1 8273472 SXDADXDGHGHLFX-UHFFFAOYSA-N 399.494 4.798 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(c1ccccc1)c1ccccc1 8388178 GRVUADOQUAKWDH-UHFFFAOYSA-N 395.506 4.937 0 40 GJAB Cc1cc(C)n2nc(SCc3csc(-c4ccccc4Cl)n3)nc2n1 8491463 QDANPTJSDLHHOV-UHFFFAOYSA-N 387.921 4.810 0 40 GJAB O=C(NCCCn1c(-c2ccc(F)cc2)cc2cccnc21)c1ccccc1F 12291910 NRQCEKSCFQWJQD-UHFFFAOYSA-N 391.421 4.802 0 40 GJAB CCCn1c(S[C@H](C)C(=O)N2CCCC2)nc2ccc(C(F)(F)F)cc21 12520209 IOYPBKGOWWHHGT-GFCCVEGCSA-N 385.455 4.568 0 40 GJAB Cc1cc(C)c(C)c(C(=O)CSc2nnc(NCc3ccco3)s2)c1C 12763606 DDQHYFSFNURVEL-UHFFFAOYSA-N 387.530 4.952 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1 12775323 MNYIHIPHFLJBFY-OAHLLOKOSA-N 388.467 4.688 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 12797346 VWLTWWVABCDKAC-LJQANCHMSA-N 398.934 4.956 0 40 GJAB COCc1c(C(=O)Nc2ccc(/C=C/C(=O)O)cc2)sc2cccc(F)c12 12992942 JXEUAPBGLXVGJO-JXMROGBWSA-N 385.416 4.537 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3ccccc3)c3ccccc3C)c(=O)[nH]c2c1 13659864 LVBFMDQVTCZDEE-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccc(F)cc1Cl 13695395 LVWLAPZFLLHCJQ-UHFFFAOYSA-N 384.794 4.527 0 40 GJAB FC(F)(Br)[C@](F)(Br)C(F)(F)Oc1ccccc1 14628556 QYJBNNMFIHYLKB-SSDOTTSWSA-N 383.936 4.707 0 40 GJAB COc1ccc(NC2=NC(=O)/C(=C\c3cccc(Br)c3)S2)cc1 16440223 FIFKPXRHUHCJGN-XNTDXEJSSA-N 389.274 4.540 0 40 GJAB CC[C@H]1c2ccsc2CCN1C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 16779194 ZDZWGFWNUUXFQD-ROUUACIJSA-N 390.936 4.505 0 40 GJAB O=C(CC[C@@H]1CCCO1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 19293316 XYLHHCMWOLOUKF-AWEZNQCLSA-N 384.423 4.650 0 40 GJAB Cc1nc(NCCc2ccccc2F)cc([C@H](C)Cn2nc(C)c(C)c2C)n1 19717918 NUMJQUGGFOHETH-CQSZACIVSA-N 381.499 4.504 0 40 GJAB CCOC(=O)c1cc(NC(=O)CSCc2ccccc2C)ccc1Cl 20107309 MKWUKRDHOWJYQP-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 20612089 BLHSQCHOEJCJMI-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB CCn1ncc2c(C(=O)N(C)Cc3ccccc3C)cc(-c3cccs3)nc21 23080924 CJQJJSCJARJYNI-UHFFFAOYSA-N 390.512 4.760 0 40 GJAB COc1cccc(/C=C/C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c1OC(F)F 25161273 ZGIGUDGJWAJHAA-SJFMBGHLSA-N 387.426 4.886 0 40 GJAB O=C(NCc1cccs1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 25352929 NDLYVLJFANTFCP-UHFFFAOYSA-N 385.798 4.536 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccccc2)C1 25512120 PBTMVXLRLACJHC-FPOVZHCZSA-N 396.918 4.556 0 40 GJAB C[C@H](NC(=O)NCc1cccc(NC(=O)c2ccco2)c1)c1ccc(Cl)cc1 28408566 PQABWWKFFKBQFK-AWEZNQCLSA-N 397.862 4.746 0 40 GJAB CN(CCOc1ccc(Cl)cc1)C(=O)c1csc(-c2cccs2)n1 32744529 BTDFUOKFFRRJKT-UHFFFAOYSA-N 378.906 4.676 0 40 GJAB CC(=O)c1ccc(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(F)c1 32960661 KJSKAAGVDOLKNS-HIGJEIRPSA-N 389.536 4.842 0 40 GJAB Cc1cccc(Nc2nnc(CC(=O)Nc3cc(F)ccc3Cl)s2)c1 62007208 SXSUMZVYLNSMOI-UHFFFAOYSA-N 376.844 4.564 0 40 GJAB CN(C)C(=O)Sc1ccccc1NC(=O)C1=Cc2cc(Cl)ccc2OC1 68314759 AWFWFRXIKJNMIU-UHFFFAOYSA-N 388.876 4.528 0 40 GJAB CN(Cc1ccccc1NC(=O)N1CCC[C@@H](N2CCCC2)C1)C1CCCCC1 83865567 DHTSJYXUHKDQFN-JOCHJYFZSA-N 398.595 4.543 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cc1noc2ccccc12 90593138 RVRQXIHEIRHQNE-UHFFFAOYSA-N 397.887 4.772 0 40 GJAB Cc1nc(-c2noc3ccc(C(=O)NCc4ccc(Cl)cc4)cc23)cs1 96037858 ASHKVMPZYOJCFC-UHFFFAOYSA-N 383.860 4.843 0 40 GJAB CCCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccncc1 96305732 LMMVYUUAERRHNW-UHFFFAOYSA-N 376.522 4.749 0 40 GJAB Cc1cc(CNC(=O)NCc2ccc(Cl)nc2)ccc1Oc1ccc(F)cc1 195740834 VVMPODJGJAIWAQ-UHFFFAOYSA-N 399.853 4.974 0 40 GJAB Cc1ccc(CNC(=O)COc2ccc(C(C)C)cc2Br)cc1 218870515 KDXRJDCVFKNVBS-UHFFFAOYSA-N 376.294 4.576 0 40 GJAB CCc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1 223187231 JWGURCGMYRKXSY-LBPRGKRZSA-N 396.712 4.921 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225825120 LWYAFMOKTPTSMJ-QFIPXVFZSA-N 393.524 4.822 0 40 GJAB CCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C(=O)OC 225856340 WCGZYCTWEHAZPV-UHFFFAOYSA-N 391.508 4.576 0 40 GJAB Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)cc1 408528284 VMRWSYNCKHQTSQ-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB CCc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 408624877 DACHLQBZSMNZOF-UHFFFAOYSA-N 397.525 4.508 0 40 GJAB Cc1ccc(CNC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1 408679404 WNIWGZBDTYFACH-UHFFFAOYSA-N 386.426 4.553 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)c(C)c1 409083261 AAWWDBCULJVJBD-UHFFFAOYSA-N 394.544 4.849 0 40 GJAB Cc1cc(N[C@@H](C)c2cnn(C)c2C)c2cc(Br)cc(F)c2n1 536984504 FKRSYYDPKPICOB-JTQLQIEISA-N 377.261 4.660 0 40 GJAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1 686692 YXBVPFOHVCGKOF-UHFFFAOYSA-N 388.496 4.849 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2cccs2)CC1 783991 GBBNOGMWPHGWJL-UHFFFAOYSA-N 383.300 4.546 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 851910 HHUSALPHMGOWDC-UHFFFAOYSA-N 375.424 4.695 0 40 GJAB Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4c(C)noc4C)cc3)sc2c1 1032588 HOFKIZORSGWFLM-UHFFFAOYSA-N 399.497 4.677 0 40 GJAB O=C1OC(c2ccccc2Br)=N/C1=C/c1ccc2ccccc2c1 1084804 KJMMPIJVGYKAQO-LDADJPATSA-N 378.225 4.947 0 40 GJAB Cc1sc2nc(C3CC3)nc(SCC(=O)N3CCC(C)CC3)c2c1C 1377438 UNMKURIYWULTSC-UHFFFAOYSA-N 375.563 4.536 0 40 GJAB CCOc1ccc([C@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1 2307268 IAQKSXRFJKPYOR-MRXNPFEDSA-N 383.498 4.521 0 40 GJAB CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C)cc1)CC2=O)c1ccccc1 2408093 MCEFSJVOEVDHJN-VQTJNVASSA-N 399.494 4.830 0 40 GJAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(C(C)C)cc1 2448183 UMDXKVXNGLNOOM-QFQXNSOFSA-N 375.449 4.897 0 40 GJAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccc2ccccc2n1 2622312 SILQDTMREPOGQU-UHFFFAOYSA-N 384.258 4.859 0 40 GJAB O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1Cc1ccco1 2970179 VNSVIJZOAVVLON-UHFFFAOYSA-N 382.872 4.984 0 40 GJAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccccc1Cl 3275268 SFVTYSLJDJKTAD-UHFFFAOYSA-N 393.826 4.760 0 40 GJAB CCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(Cl)ccc21 4193426 CGBVEEHZLDKCNU-UHFFFAOYSA-N 389.904 4.596 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(-c2ccccc2)cc1)C(=O)O 4241210 MNEMRGCBNUYVIW-HSZRJFAPSA-N 381.472 4.750 0 40 GJAB CCOc1ccc(CNc2ncc(-c3cccc(Br)c3)n2C)cc1 4678252 POFJKBDDVXOKMB-UHFFFAOYSA-N 386.293 4.860 0 40 GJAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Nc1ccccc1Cl)c1ccccc1 4888249 VENLMPJFQHDOOV-AYHJJNSGSA-N 397.906 4.687 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1cccc(C)n1)C3=O 5215516 ODJABOQYFAUPNV-NRFANRHFSA-N 382.419 4.555 0 40 GJAB Cc1csc(SCc2ccccc2C(=O)OCC(=O)c2ccccc2)n1 5426921 WCJCAZUMTIXQEL-UHFFFAOYSA-N 383.494 4.784 0 40 GJAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 6044266 MOEWFLNONMIYOC-UHFFFAOYSA-N 390.439 4.543 0 40 GJAB O=C(COc1ccccc1Cl)Nc1ccc(Br)cc1Cl 6260163 OURLVWGHTGPYGR-UHFFFAOYSA-N 375.049 4.773 0 40 GJAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c3ccccc23)c1 6582716 KUAPOYJUFNYRKB-CYBMUJFWSA-N 385.847 4.916 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O 6656974 JEDGAENOUHKGOY-LDADJPATSA-N 398.440 4.620 0 40 GJAB Fc1ccc(COc2ccc3ccccc3c2CNn2cn[nH]c2=S)cc1 7541591 DEMHAROTOPSLSV-UHFFFAOYSA-N 380.448 4.556 0 40 GJAB Cc1cccc(-c2noc(CNC(=O)c3ccc(OCc4ccccc4)cc3)n2)c1 7781099 FOXOQGBNAUTCRI-UHFFFAOYSA-N 399.450 4.554 0 40 GJAB COc1ccc2cc(CN(C)CC(=O)Nc3ccc(OC)c(Cl)c3)ccc2c1 7926586 CNSKJHQPSZKCCC-UHFFFAOYSA-N 398.890 4.581 0 40 GJAB COc1ccc(-c2nc(CC(=O)N3CC=C(c4ccccc4)CC3)cs2)cc1 7989404 WANCCFVCWQXRFQ-UHFFFAOYSA-N 390.508 4.677 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 8101812 ZWTTWXGKHZJGDS-UHFFFAOYSA-N 375.424 4.695 0 40 GJAB CCc1cccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c1 8428854 BTIYQPZVRXEFKX-UHFFFAOYSA-N 388.493 4.714 0 40 GJAB O=C(CCCCCNc1nc(=S)[nH]c2ccccc12)NCCc1ccccc1 8682945 QKJGWUZRPCTEJO-UHFFFAOYSA-N 394.544 4.624 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 9063448 WQPNSZFOZXIGDE-GOSISDBHSA-N 384.951 4.690 0 40 GJAB C[C@@H](Sc1nnc2n1CCCCC2)c1nnc(-c2cccc(Cl)c2)o1 9217896 JWOPTUMOUDWUEE-LLVKDONJSA-N 375.885 4.561 0 40 GJAB CC(C)c1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c2ccccc2n1 9448413 NRNUXXZPWMMBNH-OAQYLSRUSA-N 377.488 4.518 0 40 GJAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(Cl)cc1Cl 9513834 CDVARDKEEDRQBP-VIFPVBQESA-N 383.300 4.894 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc1 9625372 MODGNUKWCAQPRE-UHFFFAOYSA-N 394.500 4.894 0 40 GJAB Cc1ccc(-c2nnc(SCc3c(F)c(F)c(F)c(F)c3F)n2C)cc1 9964142 AIJUWQHOATUNQA-UHFFFAOYSA-N 385.361 4.778 0 40 GJAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1cc(Cl)ccc1F 10140690 GCPAEDFXAZAAGO-UHFFFAOYSA-N 385.870 4.779 0 40 GJAB Cc1ccc(SCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 10867747 FZOKKVQLFFKFPA-MRXNPFEDSA-N 398.553 4.909 0 40 GJAB COc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)ccc1OC(C)C 12345309 AOIWQUCXSYGGNT-SVGJNIJCSA-N 399.506 4.636 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2sc(-c3ccsc3)nc2C)cc1F 12983736 VLQUZYMDLQJPJB-SNVBAGLBSA-N 376.478 4.819 0 40 GJAB COc1ccc(CNCC[C@@]2(Cc3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1 13511984 BWDBVIZIEPZRRP-WATLYSKOSA-N 380.576 4.764 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13709437 NDMSZYSGKYDEDX-KRWDZBQOSA-N 390.483 4.728 0 40 GJAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(C2SCCS2)cc1 14239802 YIOHWXVUAFIOHB-FQEVSTJZSA-N 398.597 4.732 0 40 GJAB O=C(Nc1ccc(NC(=O)[C@H]2CC=CCC2)c(C(F)(F)F)c1)c1ccco1 14809748 QUZHEXFNESFTLI-LBPRGKRZSA-N 378.350 4.846 0 40 GJAB O=S(=O)(Oc1ccccc1-c1ccccc1)c1ccccc1Br 16090246 MXLJHUKCWYGAKR-UHFFFAOYSA-N 389.270 4.884 0 40 GJAB CCc1ccc(CN(C)C(=O)CSc2nnc(-c3ccc(C)c(C)c3)o2)cc1 18960974 SNLMYXNEXBJFFP-UHFFFAOYSA-N 395.528 4.667 0 40 GJAB O=C(C1CCC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373177 PIVIVKGHOYPGNM-NRFANRHFSA-N 399.498 4.746 0 40 GJAB C[C@H](CCc1ccc(Cl)cc1)NC(=O)C1(c2cccc(F)c2)CCOCC1 19717458 YFLQHGYBVUBCPB-MRXNPFEDSA-N 389.898 4.665 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1Cl 20111817 FMXFKDHASHGAIX-GOSISDBHSA-N 381.900 4.686 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 20484966 IICWYXZAZAYFAY-SFHVURJKSA-N 375.852 4.540 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1cccc(Cl)c1 20486422 CFHDVQDTMMZXBG-LJQANCHMSA-N 393.936 4.556 0 40 GJAB O=C(Nc1ccccc1F)[C@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 20737417 IWOMCSCWOPVQSV-MRXNPFEDSA-N 384.798 4.514 0 40 GJAB Cc1cc(N2CCCC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 21790459 YRLORDYXVSYQEH-UHFFFAOYSA-N 380.801 4.977 0 40 GJAB COc1cc(/C=C/C(=O)N(C)Cc2c(F)cccc2Cl)cc(Cl)c1OC 22402629 QQNVDYXDFFHAOT-BQYQJAHWSA-N 398.261 4.822 0 40 GJAB COc1ccc2c(CN(Cc3c(F)cccc3Cl)C3CC3)cc(=O)oc2c1 27370223 CDSFCHYZITUDSK-UHFFFAOYSA-N 387.838 4.759 0 40 GJAB O=C(COc1cccc(-c2noc(-c3ccccc3)n2)c1)Nc1ccc(F)cc1 33327233 OODFLAXJWACRBL-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB COc1ccc(NC2(c3nnnn3-c3ccc(Cl)cc3)CCC(C)CC2)cc1 35622088 RWURCJBUMFTBAW-UHFFFAOYSA-N 397.910 4.842 0 40 GJAB Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCC(N)=O)cc1 44085548 TURXEJARLODOOG-UHFFFAOYSA-N 392.311 4.732 0 40 GJAB Cc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCCCCC3)cnc2n1 49004784 MMXJWPPBRXYJHA-UHFFFAOYSA-N 396.441 4.976 0 40 GJAB O=C(Nc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)N1CCCCCC1 58165900 MJHZJYYLFZAYSI-DTQAZKPQSA-N 399.516 4.507 0 40 GJAB Cc1ccc(C)c(-c2nnc(OCC(=O)N(C)c3ccccc3)c3ccccc23)c1 58407652 UZEKIXMDLFGTBV-UHFFFAOYSA-N 397.478 4.955 0 40 GJAB CCc1ccccc1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 67290075 MEUCPMLQYPGFBK-UHFFFAOYSA-N 394.525 4.751 0 40 GJAB O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cc(F)cc(F)c1 67296085 XNEBKMWWYMPFHB-NKFKGCMQSA-N 383.379 4.652 0 40 GJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)s2)C1 77200232 NFORMYRNCWNIAV-KBPBESRZSA-N 378.881 4.691 0 40 GJAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)cc1 95472447 VNUMOIOHNUTNGW-RHSMWYFYSA-N 387.505 4.614 0 40 GJAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2CCC(=O)OC[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100362792 IWMSSVYTWMLNDF-NMQYNDBPSA-N 388.548 4.593 0 40 GJAB Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 102850420 PWSSKSYDSPYWTM-RDTXWAMCSA-N 384.549 4.750 0 40 GJAB CCOc1ccc(NC(=O)NCc2ccc([C@@H](O)c3ccccc3)s2)cc1 207973329 DNNTWIZENGVGJV-FQEVSTJZSA-N 382.485 4.550 0 40 GJAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)c1 216033344 LANQYEQRXUYQKA-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB CC[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc2c(c1)CCCC2 223047927 HFQZONVPUNUQMG-QFIPXVFZSA-N 398.506 4.946 0 40 GJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 223837011 RLNVYCCRQDVREX-JXFKEZNVSA-N 379.500 4.751 0 40 GJAB C[C@H](O)c1ccc(C2(CNC(=O)c3ccc4ncsc4c3)CCCC2)s1 225681444 WMEMCTDLKIOFJQ-ZDUSSCGKSA-N 386.542 4.653 0 40 GJAB COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 227308562 MJHIRDUYWMUNHY-AJSBUHFISA-N 382.935 4.760 0 40 GJAB COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)c1 257313466 USPMEDFNWBQLBT-QFIPXVFZSA-N 390.483 4.570 0 40 GJAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260814458 IMMUUUFMRMEUBZ-XXBNENTESA-N 390.568 4.720 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)N1CCc2sc(Cl)cc2C1 575617074 XKUBBWNYFATTHT-UHFFFAOYSA-N 376.692 4.672 0 40 GJAB CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(Cl)cccc23)cc1 940253 HRIYWAFEZKQBMQ-UHFFFAOYSA-N 398.846 4.985 0 40 GJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(C(C)=O)cc1 953682 IEACUVZIOAWJFB-UHFFFAOYSA-N 378.428 4.756 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCC1=O 1020783 PCFYKWHJZIDUEU-SFHVURJKSA-N 377.271 4.522 0 40 GJAB CC(C)(C)c1ccc([C@H]2CC(=O)c3cnn(-c4nc5ccccc5[nH]4)c3C2)cc1 1459834 SYROSKLKXFPQNJ-MRXNPFEDSA-N 384.483 4.959 0 40 GJAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 2442032 KWECUZYQEFHBJX-MRXNPFEDSA-N 381.907 4.852 0 40 GJAB O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]1(O)c1c[nH]c2ccccc12 2443796 VIOLUUILROGECM-HSZRJFAPSA-N 388.854 4.604 0 40 GJAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 2658182 KMTQTXHIBFJFKN-UHFFFAOYSA-N 392.069 4.669 0 40 GJAB CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc12 2780351 SPTQHPSKXBSLOT-UHFFFAOYSA-N 391.393 4.889 0 40 GJAB Cn1cnnc1S[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 3221751 NWFJKIPSHQVJEC-OAHLLOKOSA-N 393.299 4.594 0 40 GJAB O=C(/C=C/c1cccc(Br)c1)OCC(=O)c1ccccc1Cl 3300643 RFIDLNQPSLMNJG-CMDGGOBGSA-N 379.637 4.542 0 40 GJAB CCOC(=O)c1ccoc1CSc1nnc(Nc2ccc(C)cc2)s1 3442908 KEWKVUWSRUEBCT-UHFFFAOYSA-N 375.475 4.652 0 40 GJAB Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc(Cl)cc2)n1 4167451 PJSIIUPWBBKBGS-UHFFFAOYSA-N 375.906 4.898 0 40 GJAB COc1ccc(NC(=O)CCCCCCCCCC[C@@H]2COCCO2)cc1 4577758 XYOKDQCCBRNXQN-OAQYLSRUSA-N 377.525 4.950 0 40 GJAB CSc1ccc(NC(=O)Nc2cc(C)cn(Cc3ccccc3F)c2=O)cc1 5000861 GIZOZXYQNPEUSM-UHFFFAOYSA-N 397.475 4.710 0 40 GJAB Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 5046986 DVGUVWYKIWNOHH-UHFFFAOYSA-N 384.814 4.623 0 40 GJAB Cc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc12 5115487 FIBWPSKPUDECSN-UHFFFAOYSA-N 389.524 4.966 0 40 GJAB C[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 5239454 IJJQIKNAVNUGIB-SNVBAGLBSA-N 384.358 4.553 0 40 GJAB Cc1ccc(C(=O)Nc2c(-c3ccccc3F)c(=O)c3ccccc3n2C)cc1 5347086 VAUPSVGMMZQAMJ-UHFFFAOYSA-N 386.426 4.905 0 40 GJAB CCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C(CC)CC)cc1 5965371 PUMCBLGGJDOLDZ-GOSISDBHSA-N 389.521 4.513 0 40 GJAB CCOCN(C(=O)CSCc1nc2ccccc2[nH]1)c1c(C)cccc1CC 6024739 MKPFUJDUVMALCX-UHFFFAOYSA-N 397.544 4.694 0 40 GJAB Cc1cccc(CN2C(=O)S/C(=C\c3cn(CC#N)c4ccccc34)C2=O)c1 6079491 WLDYYPAADDQORK-NDENLUEZSA-N 387.464 4.710 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 6237716 NMURDPGOSMQHFD-UHFFFAOYSA-N 386.860 4.684 0 40 GJAB CCCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)C(C(=O)OC)=C1C 6322992 SEGHZEXRRJALMD-PGMHBOJBSA-N 391.467 4.952 0 40 GJAB COc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1Br 6846903 UUSDRPRZLODJDU-UHFFFAOYSA-N 386.245 4.872 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1 7763605 PVFAWOFXPFSPOW-ZDUSSCGKSA-N 384.530 4.769 0 40 GJAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)no1 9156396 WHDWSUUNORVKJP-UHFFFAOYSA-N 396.468 4.689 0 40 GJAB COc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)cc1 9431913 PSOJDXAZAFCPIO-UHFFFAOYSA-N 385.847 4.549 0 40 GJAB CCc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1 9625294 LHXNKQRTBMPSSZ-UHFFFAOYSA-N 394.500 4.839 0 40 GJAB O=C(/C=C/c1ccc2c(c1)OCO2)N[C@@H](c1ccc(F)cc1)c1cccs1 9897867 PBYRYXARCVUFOL-TVIPLOHISA-N 381.428 4.535 0 40 GJAB CCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c2ccccc12 11613987 QRFMSONCONDJLQ-UHFFFAOYSA-N 399.468 4.518 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 12111313 NKSBWVGMIPKLFP-INIZCTEOSA-N 395.459 4.548 0 40 GJAB Oc1ccc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 12185724 CTHVKOAIINFDGJ-FQEVSTJZSA-N 392.455 4.893 0 40 GJAB COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OCc1ccccc1F 12371685 HEYYCMZEDDYGMW-HNNXBMFYSA-N 383.444 4.949 0 40 GJAB CC(C)NC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 13682767 SNRWZSZYGGDQEC-UHFFFAOYSA-N 395.934 4.849 0 40 GJAB Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 14069794 UNKUCZQPNYFPTN-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB C[C@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1ccc(Cl)cc1Cl 14086343 RSARUXQIKNYPTD-JTQLQIEISA-N 399.347 4.964 0 40 GJAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cc(OC)ccc1OC 15108042 VOIBYWKCNMGXKJ-UHFFFAOYSA-N 386.835 4.826 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2nc(-c3cccs3)ns2)cc(C)c1Cl 15669648 CXISEPRAQJRMAE-NSHDSACASA-N 393.921 4.943 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@H](c3nnc(-c4nccc5ccccc45)o3)C2)c1 19234405 MZTSHAGAFCEOLQ-IBGZPJMESA-N 398.466 4.613 0 40 GJAB Brc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 19948379 WLDPXOITCHSJMH-UHFFFAOYSA-N 391.228 4.991 0 40 GJAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20493306 PVGHMRPSEQRNMN-GOSISDBHSA-N 381.497 4.779 0 40 GJAB Cc1[nH]c(SCC(=O)N(C2=CCCCC2)C2CC2)nc1Cc1ccccc1 23274244 DMAVLCMPLDYPST-UHFFFAOYSA-N 381.545 4.850 0 40 GJAB O=C(c1ccc(N2CCCC2=O)cc1)c1cc2cc(Br)ccc2o1 25060419 KTPJENMTSKSWRD-UHFFFAOYSA-N 384.229 4.553 0 40 GJAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 25250138 UMPNLIYYGHDLRW-GQCTYLIASA-N 381.838 4.685 0 40 GJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCc1ccccc1OC(F)F 25535717 MPZZYYYKSHFELL-UHFFFAOYSA-N 396.459 4.573 0 40 GJAB C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCCCO2 32282104 DQSCUDRJIRFQFF-AWEZNQCLSA-N 381.403 4.738 0 40 GJAB CC(=O)c1cc2c(cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl)OCO2 32994762 FDMLYEXQYDQTSX-HWKANZROSA-N 378.211 4.577 0 40 GJAB CCn1nc(C)c(NC(=O)c2cc3occc3n2Cc2ccc(F)cc2)c1C 36365883 CFQWECPXBMYVTO-UHFFFAOYSA-N 380.423 4.507 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nc3ccccc3[nH]2)CC1 36709078 AQGFHZQOWVAIOW-UHFFFAOYSA-N 388.393 4.993 0 40 GJAB CCOc1cccc(/C=C2/CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)c1 40139751 QFVFSIQCXGNHBY-UVTDQMKNSA-N 386.373 4.758 0 40 GJAB COc1ccc(Br)cc1NC(=O)c1ccc(Br)cc1C 48444764 IVTHPBYIADVZIU-UHFFFAOYSA-N 399.082 4.781 0 40 GJAB CC(C)[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1cccs1 57614143 CFQDHJAYMGIKSH-IBGZPJMESA-N 383.565 4.889 0 40 GJAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(CN2CCSCC2)cc1 58310684 SKFOWSNYDNAUTK-UHFFFAOYSA-N 395.355 4.723 0 40 GJAB O=C(c1ccc(Cl)s1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635407 LLKSXKNHQBNQSM-GFCCVEGCSA-N 375.799 4.634 0 40 GJAB O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 71817385 MDDSPLNXNACHSB-KGLIPLIRSA-N 389.402 4.966 0 40 GJAB COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NC3(CCN(C(C)C)CC3)N2)cc1 80324987 PUVJMADWZPURDC-QHCPKHFHSA-N 395.522 4.559 0 40 GJAB Cc1cc(C(=O)N2CCC(n3c(C)ccc3C)CC2)c(C)n1Cc1ccco1 95393303 ZRIFISWCUIZTSD-UHFFFAOYSA-N 379.504 4.642 0 40 GJAB Fc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccc(Cl)s2)c[nH]1 96296174 HPBJABNJYBNPIQ-HNNXBMFYSA-N 377.872 4.504 0 40 GJAB biogenic,in-vitro O=C(Oc1cccc2ccccc12)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 101913284 ILESWXCPSXWXQE-SFTDATJTSA-N 397.430 4.515 0 40 GJAB Cc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(O)C[C@@H](c3ccco3)CC1=N2 102576653 FUQFLKLFXAOLKL-ORAYPTAESA-N 380.835 4.898 0 40 GJAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCO[C@@H](c2ccc(F)cc2)C1 105722219 DQVSASKKSQRENK-FZKQIMNGSA-N 375.394 4.705 0 40 GJAB CSc1nc(Nc2ccc(Oc3ccccc3)cc2)c2c(=O)[nH]ccc2n1 115789381 HISZEYPBQXPUMB-UHFFFAOYSA-N 376.441 4.576 0 40 GJAB CCCC[C@@H](CC)CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 225121564 LQAQAMCELJBICZ-AFDUHFSSSA-N 382.504 4.692 0 40 GJAB COc1ccc(CCCNC(=S)Nc2ccc(Br)c(C)c2)cc1 225556401 ZGDUEFKMKHADCO-UHFFFAOYSA-N 393.350 4.685 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccccc2C)cc1Cl 225754487 HAKRRTFEEWOUQC-CYBMUJFWSA-N 376.909 4.873 0 40 GJAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 225873984 JOLUCIYUFNTGPA-GOSISDBHSA-N 383.557 4.691 0 40 GJAB CC1CCN(c2ccc(N)cc2NC(=O)c2ccc(Br)cc2)CC1 226255063 ZIQBMTITIQPZNA-UHFFFAOYSA-N 388.309 4.520 0 40 GJAB C[C@H]1CCCN([C@H](c2cccc(C(F)(F)F)c2)c2nnnn2C2CCCC2)C1 227146545 RVRVUHIVWNXATC-KBXCAEBGSA-N 393.457 4.628 0 40 GJAB COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@@H](C2)[C@H]1[C@H](C)CC(=O)C3 253504571 HLKCYOOWMVLNED-YBVULOPDSA-N 391.511 4.601 0 40 GJAB biogenic,in-vitro CCCCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1OC 408527273 BQIQZFIYNLKGHM-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)CC(C)C)cc3O)nc2c1 408629088 ZCXINHMMAOPZIA-UHFFFAOYSA-N 397.500 4.622 0 40 GJAB C[C@@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1c(F)cccc1F 501686033 YSXJHAZRORWTMN-LLVKDONJSA-N 395.331 4.660 0 40 GJAB Cc1c(C(=O)NCC2(c3ccc(F)cc3F)CC2)cccc1-c1ccccn1 536444708 RPXLVOJWXPWMEE-UHFFFAOYSA-N 378.422 4.797 0 40 GJAB O=C(Nc1ccccc1C(F)F)N1CCOC[C@H]1c1nc2ccccc2s1 570957120 DRFYHNQVFSFDSR-HNNXBMFYSA-N 389.427 4.839 0 40 GJAB Cc1cc(-c2noc(CN(Cc3ccc(F)cc3)C3CCOCC3)n2)ccc1F 585082920 SJIMWDUKWLNWSU-UHFFFAOYSA-N 399.441 4.504 0 40 GJAB O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 618254497 AKOSVOFXKJJVOJ-OAQYLSRUSA-N 395.462 4.590 0 40 GJAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CC(Cc2c(F)cccc2Cl)C1 1252713686 OGIIFMBXUSUJQG-UHFFFAOYSA-N 384.842 4.576 0 40 GJAB Fc1ccc(Br)cc1OCOc1cc(Br)ccc1F 2362803744 FVDKDSBGXIITCX-UHFFFAOYSA-N 394.009 4.905 0 40 GJAB CCC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1ccc(Cl)cc1 1391463 QVHMFNKKZYCPRE-UHFFFAOYSA-N 378.803 4.697 0 40 GJAB COc1cc(NC(=O)c2ccco2)ccc1NC(=O)c1cc2ccccc2o1 1411723 KQJAVJBCVVTVOC-UHFFFAOYSA-N 376.368 4.539 0 40 GJAB Cc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)[C@H]2CCOC(C)(C)C2)cc1 2299068 BDSWUGIHYGTWRP-VQTJNVASSA-N 391.511 4.970 0 40 GJAB O=C(Nc1cccc2ccccc12)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 2726422 PIPVYHFXEVMZRO-QFIPXVFZSA-N 396.446 4.639 0 40 GJAB O=C(Nc1ncn(Cc2c(Cl)cccc2Cl)n1)c1ccc(Cl)cc1 2798204 YHBHJGFZNDPGIW-UHFFFAOYSA-N 381.650 4.539 0 40 GJAB O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(C(F)(F)F)cc1 3333689 DJWBKQREZGHTCI-UHFFFAOYSA-N 376.205 4.914 0 40 GJAB Cc1ccc(C(O)(c2ccc(C)cc2)[C@]2(C)CC[C@@H](C(=O)O)C(C)(C)O2)cc1 3845833 HHUXSSCDXMJTOO-REWPJTCUSA-N 382.500 4.588 0 40 GJAB biogenic COc1cc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2cc1OC 4479898 FBOQNHWPSDQYCA-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 4689663 MRCAEFRQWYSUSR-ROUUACIJSA-N 399.292 4.586 0 40 GJAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@H]1c1ccc(Cl)cc1 4816548 ZRZDPLORGRRJMZ-RBUKOAKNSA-N 380.879 4.717 0 40 GJAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)NCCC1=CCCCC1 4997122 UXJWIOVUANSLSI-CQSZACIVSA-N 396.516 4.705 0 40 GJAB Cc1ccc(CN2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 6009206 UKFZRHVJMLZHMW-VWLOTQADSA-N 390.571 4.688 0 40 GJAB CC(C)C(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 6615841 YISCKAFSIVINBQ-UHFFFAOYSA-N 375.222 4.557 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccccc2)sc2c1CCCC2 6892068 ZTGFWBCRBYBZTA-ZDUSSCGKSA-N 389.542 4.923 0 40 GJAB CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccc(OC)cc1 6954367 AZZUPPTZTQXJRO-JUAGQRJUSA-N 377.469 4.800 0 40 GJAB Cc1ccccc1-c1noc(COC(=O)CCCc2c[nH]c3ccccc23)n1 7339377 OYZPZXVMZPHCHV-UHFFFAOYSA-N 375.428 4.592 0 40 GJAB O=C(/C=C/c1nc2ccccc2o1)N1CCC(c2nc3ccccc3s2)CC1 8040327 MQZHRNIACODWLI-MDZDMXLPSA-N 389.480 4.857 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C)sc3C)cc2)cc1 8071135 LHYMPUZCRCUMLC-UHFFFAOYSA-N 380.469 4.878 0 40 GJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3cc(C)ccc3C)o2)cc1OC 8231604 FDDCADHCCVAIHK-AWEZNQCLSA-N 398.484 4.734 0 40 GJAB CCCCOc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 8564464 KRQZAMDSRCZZID-UHFFFAOYSA-N 392.455 4.641 0 40 GJAB COc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3c(C)cccc3cc12 9349674 URNOYRFGNLUQIC-UHFFFAOYSA-N 388.471 4.810 0 40 GJAB Cc1cc(C)c2nc(NC(=O)CSc3ncnc4sccc34)sc2c1 9747275 ZDDBKCLXOPUNSM-UHFFFAOYSA-N 386.527 4.649 0 40 GJAB COc1cccc([C@@H]2CCCN2CC(=O)Nc2cccc(Cl)c2Cl)c1 10226121 OJQBBARAXJIIFP-KRWDZBQOSA-N 379.287 4.778 0 40 GJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 10280112 USFQTZYDXNTOPN-OAQYLSRUSA-N 380.488 4.545 0 40 GJAB Cc1cc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc(C)n1 12016781 FXIWQQQGQJSXGW-VIFPVBQESA-N 389.830 4.885 0 40 GJAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cnc(-c2ccccc2F)s1 12390399 CWCWOPJYNVHDNV-AWEZNQCLSA-N 393.487 4.720 0 40 GJAB COc1ccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1OC 12563225 WYRPNVJIXYFYHT-ZDUSSCGKSA-N 397.500 4.575 0 40 GJAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccc(SC(F)F)cc1 13004986 BJUYBQMAFQFOIS-NSHDSACASA-N 391.395 4.514 0 40 GJAB Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 13610826 YIMXSPJUEGXCCS-HHNLSAEISA-N 380.451 4.558 0 40 GJAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Cn2cccn2)cc1 14020096 WQZSIDOZVVGPAX-XMMPIXPASA-N 381.479 4.645 0 40 GJAB O=C(Nc1ccccc1Br)c1cc(-c2ccc(Cl)cc2)[nH]n1 14206032 LNDRWOPPWBVWNF-UHFFFAOYSA-N 376.641 4.745 0 40 GJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CC=C(c4ccccc4)CC3)cc12 14250098 PHAOXNHTNSORLR-UHFFFAOYSA-N 379.529 4.992 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)c(OC)c1 16382454 UCEKIWXAKBHFIM-SFHVURJKSA-N 399.878 4.744 0 40 GJAB Clc1cccc(CSc2nnc(-c3ccco3)n2C[C@@H]2CCCO2)c1 17076883 JEZXNOUCSWCNAY-HNNXBMFYSA-N 375.881 4.663 0 40 GJAB Cc1cc(NC(=O)COc2ccc(F)cc2)nn1Cc1cccc2ccccc12 17079464 SJNJVIJHJCPYEO-UHFFFAOYSA-N 389.430 4.550 0 40 GJAB CCOc1ccccc1C(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1C 19520081 JYJIXPMBCYBVFP-HXUWFJFHSA-N 390.487 4.546 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3nnc(C4CCCCC4)s3)on2)cc1 19718917 WGKQCJOZBMXKBL-UHFFFAOYSA-N 384.461 4.502 0 40 GJAB C[C@@H]1CCC[C@@H](N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)C1 19841858 RYYHMGASSLYPIG-NFBKMPQASA-N 376.544 4.541 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCc2ccccc21 20491415 YSHXYRBKFVZEIL-DEOSSOPVSA-N 388.511 4.566 0 40 GJAB Cc1ccc(Nc2nc3nonc3nc2NC2C3CC4CC(C3)CC2C4)cc1C 20890195 CZQOANCLDMVDFZ-UHFFFAOYSA-N 390.491 4.610 0 40 GJAB COc1ccc(NC(=O)c2cccnc2Nc2ccc(Br)cc2)cc1 22072057 MOGGSEYMRFJIEO-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 22689378 YGCZAHUSODALFN-INIZCTEOSA-N 378.472 4.622 0 40 GJAB COc1ccc(-c2csc3c(=O)n(Cc4cccc(Cl)c4)cnc23)cc1 23126648 WIVUCRPNWWXAID-UHFFFAOYSA-N 382.872 4.835 0 40 GJAB Fc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)cc1 24432642 IATKINLGQIDXND-LJQANCHMSA-N 380.419 4.589 0 40 GJAB CCN(CC)[C@@H](CNC(=O)c1ccc(OC(C)C)cc1)c1ccccc1Cl 27579705 GPTFPEOBTNTBFD-NRFANRHFSA-N 388.939 4.940 0 40 GJAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccn(-c2ccc(F)cc2)n1 36760079 DYDROMXSRFMCMH-UHFFFAOYSA-N 382.395 4.526 0 40 GJAB COc1nc2ccc(Br)cc2cc1[C@H](O)c1ccc(F)c(Cl)c1 38490569 XMPAREHMHYGKSP-MRXNPFEDSA-N 396.643 4.880 0 40 GJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C/c1cccc(Br)c1 40106906 FAQYTTDPDXFEEX-UXBLZVDNSA-N 399.288 4.758 0 40 GJAB CCn1c(SCC(=O)N(c2ccc(F)cc2)C(C)C)nnc1-c1ccccc1 41124463 HJRWDJACJJUHSX-UHFFFAOYSA-N 398.507 4.638 0 40 GJAB CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(OC)cc1 44936475 SQEYHTYWVMSQQD-QHCPKHFHSA-N 380.532 4.808 0 40 GJAB Cc1nc(SCC(=O)Nc2ccc(C)c(Cl)c2)cc(-c2ccncc2)n1 49007191 XDZRBUABIVYYOB-UHFFFAOYSA-N 384.892 4.540 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)Nc2cccc(Br)c2)c1 51354331 FJRLFCBYCTWTTI-UHFFFAOYSA-N 379.254 4.891 0 40 GJAB C[S@](=O)c1ccc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)cc1 63691226 PDYFZVIKQPCOHK-HHHXNRCGSA-N 375.493 4.507 0 40 GJAB Cc1n[nH]c(C(=O)N(C2CC2)[C@@H](C)c2ccc3ccccc3c2)c1Br 65889968 XUQOBLQALALPHV-ZDUSSCGKSA-N 398.304 5.000 0 40 GJAB O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1cccc(Cl)c1 67293300 AOSNXBQWWXUASW-FLFQWRMESA-N 391.814 4.672 0 40 GJAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C[C@@H](C)c4ccccc4)C3)cc2n1 72397159 ZPDKWPRAMQISSF-PBHICJAKSA-N 388.437 4.650 0 40 GJAB COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1scnc1C 84065645 SICFSYZUPCHKRM-UHFFFAOYSA-N 392.889 4.872 0 40 GJAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](c1ccc(O)cc1)SCC(O)=N2 95476988 UKEKMPMDWKDHFN-GOSISDBHSA-N 387.505 4.592 0 40 GJAB COc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2Cl)c1 95946110 JCVJYBIGBLHHJO-LJQANCHMSA-N 380.831 4.933 0 40 GJAB O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1cccc(C(F)(F)F)c1 96119836 RPMQLTLGDJXTLR-UHFFFAOYSA-N 395.427 4.989 0 40 GJAB COc1ccc(-c2cnoc2-c2cc(Br)c(OC)c(OC)c2)cc1 96336898 SSBYLHXGHZVURW-UHFFFAOYSA-N 390.233 4.797 0 40 GJAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@H](Cc1ccccc1)c1ccccc1 97593128 DTCAUBOZRJRQII-KSFYIVLOSA-N 377.488 4.506 0 40 GJAB O=c1[nH]c(-c2c[nH]c3ccccc23)nc2c1sc(=S)n2Cc1ccccc1 100145319 PGVOAQSNVJHMDA-UHFFFAOYSA-N 390.493 4.712 0 40 GJAB Cc1ccnc(NC(=O)CC23C[C@@H]4C[C@@H](C2)CC(c2c(C)noc2C)(C4)C3)c1 103151509 JWYMCOIHBCICNK-FFACFXHASA-N 379.504 4.862 0 40 GJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1C 218829820 GYJGQLKDFNHVKM-HNNXBMFYSA-N 376.294 4.631 0 40 GJAB COc1ccc(CCCNC(=O)c2cccc(OCc3ccccc3)c2)cc1 218977855 CUSANGBXLMSUKH-UHFFFAOYSA-N 375.468 4.637 0 40 GJAB Cc1ccccc1[C@H]1CCN(C(=O)CSc2nc3ccccc3o2)CCS1 219266794 FITKYXZKHJEATA-LJQANCHMSA-N 398.553 4.935 0 40 GJAB COc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)c(Cl)c1Cl 222767426 BKZDHJOQDNRDBA-UHFFFAOYSA-N 396.295 4.634 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 222929393 XSBGCJJDIDYZOE-RTWAWAEBSA-N 376.529 4.501 0 40 GJAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COCC(C)C 224451274 QQTDPZMGAXMVRS-UHFFFAOYSA-N 377.868 4.782 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225738619 SEYDJNUIEGQQLF-XXBNENTESA-N 390.568 4.721 0 40 GJAB CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(OC)c(C)c1 225879562 SGYAPNBGNVAISH-QFIPXVFZSA-N 380.532 4.871 0 40 GJAB NNc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 226310599 IFTCDTNOZFSLJB-UHFFFAOYSA-N 387.679 4.794 0 40 GJAB Cc1cccc(CN2CCC[C@@H](c3nc4ccc(-c5cccs5)cn4n3)C2)n1 306132608 LNSVMSVOKIEBJP-GOSISDBHSA-N 389.528 4.541 0 40 GJAB COc1ccc(Br)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408559174 XTXNIAQFBXIWRR-INIZCTEOSA-N 398.709 4.890 0 40 GJAB CCOc1ccccc1N(Cc1ccccc1C)S(=O)(=O)c1ccccc1 408624330 GVSIXTJXLKDKAR-UHFFFAOYSA-N 381.497 4.789 0 40 GJAB O=C(c1oc2ccccc2c1CSCc1ccccc1)N1CCn2nccc21 552777480 BOKOFQGTZJJNOG-UHFFFAOYSA-N 389.480 4.723 0 40 GJAB CN(C)c1ccc([P@@](=O)(OCc2ccccc2)[C@H](O)c2ccccc2F)cc1 724039 LODQNKQWPYWQSD-RBISFHTESA-N 399.402 4.703 0 40 GJAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccccc1Br 799479 JKYWRYRHVGQKLQ-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB CC1=C(C(=O)OC2CCC(C)CC2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 832348 TZOHHRITIHXBON-MOIAVMEXSA-N 397.302 4.743 0 40 GJAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1cccc(Cl)c1 853654 BHFIWGWATVLRNH-UHFFFAOYSA-N 389.933 4.954 0 40 GJAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 919595 FXBKHHKGZJDQCX-XJKSGUPXSA-N 390.365 4.697 0 40 GJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n12 929688 LGLJCSNNPZIFIU-IRXDYDNUSA-N 396.560 4.689 0 40 GJAB Cc1n[nH]c(S/C(=C\c2ccc(-c3cc(Cl)ccc3C)o2)C(=O)O)n1 1235525 HAQIFVQHRZHBAY-NVNXTCNLSA-N 375.837 4.553 0 40 GJAB O[C@H](c1cc(C(F)(F)F)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 1572963 GBOMJGJESBMUBL-SWLSCSKDSA-N 379.209 4.736 0 40 GJAB in-vitro COc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1Cl 2224599 CVILRWCPJUACTA-UHFFFAOYSA-N 376.803 4.891 0 40 GJAB CCCc1nc2oc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2 2338794 YDPVIXYHEWNURO-UHFFFAOYSA-N 392.459 4.780 0 40 GJAB CCCCc1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1CCC2 2416903 XBIYOQFSMSZJRS-CYBMUJFWSA-N 382.533 4.662 0 40 GJAB O=C(Nc1ccc(F)cc1)c1ccn(COc2ccc(Cl)cc2Cl)n1 2795611 CJMNUPHYWSMNSU-UHFFFAOYSA-N 380.206 4.618 0 40 GJAB COc1cccc(/C=C/C(=O)Oc2ccc(OCc3ccccc3)cc2)c1OC 3252498 YZHDUADNHNUGPI-LFIBNONCSA-N 390.435 4.902 0 40 GJAB C[C@@H](Sc1ncnc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 3288378 BJZYULOKXIOFPY-LLVKDONJSA-N 377.391 4.768 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1Cc1ccccc1 3344020 VJEPZMLDONBQLC-FQEVSTJZSA-N 380.488 4.615 0 40 GJAB Cc1ccc2c(CC(=O)N(Cc3nnc(-c4ccccc4)o3)C(C)C)coc2c1 3356598 XXFWMZZJFVTOGM-UHFFFAOYSA-N 389.455 4.771 0 40 GJAB CCC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 3607088 OJQHTGIJVOWBLX-GFCCVEGCSA-N 380.271 4.842 0 40 GJAB O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)NC1CCCC1 4060706 NBHVSEWXRNGFQK-UHFFFAOYSA-N 382.504 4.980 0 40 GJAB CN1[C@H]2CC[C@@H]1C=C(N(CCc1ccccc1)C(=O)c1ccc(Cl)cc1)C2 4076194 CYJGIDCBUJBZAX-RTWAWAEBSA-N 380.919 4.775 0 40 GJAB CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C 4118961 ANYSNVIXMHPKQV-MRXNPFEDSA-N 385.291 4.553 0 40 GJAB O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(Cl)s1 4249096 ZRWOMUMGGNBAQG-UHFFFAOYSA-N 395.918 4.579 0 40 GJAB O=C(CCCC(=O)Nc1cccc(Br)c1)NCCC1=CCCCC1 4700881 TXSNXWUCCLXIHW-UHFFFAOYSA-N 393.325 4.565 0 40 GJAB COc1cc(C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OC 4741095 MSCLNLROQBYWFU-UHFFFAOYSA-N 386.245 4.872 0 40 GJAB CC1CCN(CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)CC1 4847601 FUVWZLBQTSUCLF-UHFFFAOYSA-N 396.556 4.528 0 40 GJAB CC(C)Sc1nc2nc3c(cc2c(=O)n1-c1cccc(Cl)c1)CCCC3 5100534 CZBLNGACWWOMNP-UHFFFAOYSA-N 385.920 4.813 0 40 GJAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1COc2ccccc2O1 6237070 RCLQRTGUWMSLDK-IZKRSNETSA-N 389.495 4.933 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 6392454 QVQOZLLAOQLEPR-JTQLQIEISA-N 388.183 4.874 0 40 GJAB COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)ccc1O 6922842 ZPRXFOYSQXJVFF-QDSKXPNFSA-N 381.516 4.578 0 40 GJAB biogenic Cc1ccc2c(c1)CCCN2Cc1nnc(-c2c(-c3ccccc3)noc2C)o1 7214694 OTPGPRXAXLQXIA-UHFFFAOYSA-N 386.455 4.961 0 40 GJAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccccc2[C@H](C)CC)CC1=O 7929375 PBAZRWWHPMDUKN-SJORKVTESA-N 381.472 4.557 0 40 GJAB CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 7967341 GNJMLUIISJFNNY-UHFFFAOYSA-N 386.448 4.674 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)Nc3cc(F)ccc3F)s2)c1 7979388 RXTJVFHOGGTTGQ-UHFFFAOYSA-N 392.456 4.599 0 40 GJAB CC(C)OC(=O)c1ccc(CNc2ccccc2C(=O)Nc2ccc(F)cc2)o1 8130635 BCNVKZKBPSSCRQ-UHFFFAOYSA-N 396.418 4.848 0 40 GJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NC1CCCCCC1 8174453 QBTFMQHFMJFNML-LBPRGKRZSA-N 397.466 4.968 0 40 GJAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3OC)o2)cc1 8314430 PHAOJVGUARKDIC-CYBMUJFWSA-N 384.457 4.507 0 40 GJAB CCCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 8869564 BVHFTKYLNSFFKD-OAQYLSRUSA-N 387.907 4.950 0 40 GJAB CCOc1cccc2cc(C(=O)Nc3nnc(Cc4ccc(C)cc4C)o3)oc12 8923035 RRAGVDAPPWUZEZ-UHFFFAOYSA-N 391.427 4.674 0 40 GJAB COc1ccc(N2CCn3c(SCc4cccc5ccccc45)nnc32)cc1 9651685 KZMDPWBGPBMMFF-UHFFFAOYSA-N 388.496 4.884 0 40 GJAB O=S1(=O)CC[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 12175025 RDMWWUCZJXVQBZ-QFIPXVFZSA-N 394.561 4.899 0 40 GJAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4cc(F)cc(F)c4)C3)cc2c1C 12187886 RGSGPWADMSLIGW-INIZCTEOSA-N 396.437 4.850 0 40 GJAB Cc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)sc1C 12910698 MWGIWLSBISEYHN-UHFFFAOYSA-N 390.306 4.625 0 40 GJAB O=C(Cc1noc2ccccc12)N1CCc2sccc2[C@H]1c1cccs1 12940225 YTCUSQQICGJNRR-FQEVSTJZSA-N 380.494 4.668 0 40 GJAB C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 12985520 XZZYNVBWGADXQB-ZDUSSCGKSA-N 397.500 4.578 0 40 GJAB O=C1N/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1ccc(Cl)cc1 14011498 BHVHLBIBXMOVTH-WQRHYEAKSA-N 396.805 4.832 0 40 GJAB O=C(c1ccc(Cl)nc1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 14629506 DEACWEFGZPRPIA-UHFFFAOYSA-N 383.904 4.917 0 40 GJAB CCSc1nnc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)s1 14673862 OWNQLYNYYCHDAP-UHFFFAOYSA-N 375.450 4.834 0 40 GJAB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(Br)s3)S2)cc1 16440334 AYLJYKUMTPLNJC-XYOKQWHBSA-N 395.303 4.602 0 40 GJAB CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1CCc1ccccc1)c1ccccn1 19081706 LRGFKSWVIAQCKE-JTHBVZDNSA-N 393.575 4.772 0 40 GJAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1cccc(F)c1)C3 20480077 QWRRRRNDEGGMBF-UHFFFAOYSA-N 387.838 4.543 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(OC)c(Cl)cc1OC 20482925 QDHVGUSKYCQASM-MRXNPFEDSA-N 377.868 4.770 0 40 GJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc2nc(C)ccc12 21595803 RFYZWFSQTBCMHY-YRNVUSSQSA-N 397.272 4.966 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(C(C)C)s1 26601596 JRSFDAAXJNYIJT-UHFFFAOYSA-N 380.832 4.670 0 40 GJAB CCOc1c(Cl)cc(C(=O)Nc2nonc2-c2ccc(F)cc2)cc1Cl 27664710 XJBLYYWHXUAWNR-UHFFFAOYSA-N 396.205 4.834 0 40 GJAB CCCOc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1Br 28252013 HEAKWFLDPTUPRE-UHFFFAOYSA-N 398.322 4.656 0 40 GJAB COc1ccc2c(CNc3ccc4c(c3)OC3(CCCCC3)O4)cc(=O)oc2c1 28367658 SGZDFIYSJMLCMH-UHFFFAOYSA-N 393.439 4.845 0 40 GJAB COc1cccc([C@H]2CC(O)=Nc3nc(N)sc32)c1OCc1ccccc1F 32074554 GYJULAUORBLCHA-CYBMUJFWSA-N 399.447 4.576 0 40 GJAB CC(=O)c1cccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 35312228 TYSRRGGNGQJNOR-UHFFFAOYSA-N 384.863 4.669 0 40 GJAB Cc1cccc(CN2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 39753926 WLTHRKSQESCETA-UHFFFAOYSA-N 376.422 4.865 0 40 GJAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)C1CCCCC1 40050322 LTUWEFHLPIDEFE-UHFFFAOYSA-N 390.527 4.673 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(F)cc2C)nc(-c2ccc(Cl)cc2)n1 49006988 UQSGZVVOQYXVPU-UHFFFAOYSA-N 385.826 4.570 0 40 GJAB Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1oc2c(C)cccc2c1C 50382061 TVIVUXFCZWEVCF-UHFFFAOYSA-N 378.472 4.996 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cccs2)c1 57572433 VQNIRJWNGZRBGN-OAQYLSRUSA-N 378.497 4.763 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)NC(C)(C)c3ccccc3)s2)cc1OC 65575100 GRCANTZKVWYEKQ-UHFFFAOYSA-N 396.512 4.801 0 40 GJAB C[C@H]1CN(c2ccccc2)CCN1Cc1c[nH]nc1-c1cccc2ccccc12 67489698 ITLTZAUJGJYSTR-IBGZPJMESA-N 382.511 4.941 0 40 GJAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H](c2cccc(-c3ccccc3)n2)C1 72361031 UTIOLRDLVWDJJC-LJQANCHMSA-N 382.467 4.645 0 40 GJAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc(-c2cccnc2)cs1 72404336 DRDSFYCYOWQQPQ-UHFFFAOYSA-N 395.875 4.511 0 40 GJAB O=C(CSc1ccc(F)cc1)N(CCc1cccs1)Cc1ccco1 77183934 OXYAAEWNNJNYAL-UHFFFAOYSA-N 375.490 4.844 0 40 GJAB O=C(Nc1ccccc1F)C1CN(c2nc3c(C(F)(F)F)cccc3s2)C1 77191796 ZGKBWCIUGDICNJ-UHFFFAOYSA-N 395.381 4.529 0 40 GJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 77200172 JQVSXLLBIZFWRS-ROUUACIJSA-N 378.428 4.723 0 40 GJAB O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CCN(c2cccc(Cl)c2)CC1 95460766 JORDJIIVGFTOIJ-UHFFFAOYSA-N 380.879 4.689 0 40 GJAB Cn1ccnc1-c1sc(NC(=O)c2cccc(Cl)n2)nc1-c1ccccc1 95957884 OQNZCNOLAGHRDU-UHFFFAOYSA-N 395.875 4.511 0 40 GJAB O=C(Nc1cc(Cl)ccn1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 95959629 WVFQLJIJMVOKKE-UHFFFAOYSA-N 392.267 4.955 0 40 GJAB Cc1ccc(-c2ocnc2C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc1 95961432 JNLIJWMDJKVEJF-UHFFFAOYSA-N 398.422 4.550 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 96625596 RBSRJOIMXARGLQ-UHFFFAOYSA-N 396.384 4.575 0 40 GJAB CC(C)Cn1cnc2c(c1=N)[C@@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 101351695 RQDCNBCALOYSQP-SFHVURJKSA-N 381.863 4.663 0 40 GJAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@H](c4cccnc4)C3=C(O)C2)cc1 102721982 QSQZKWXPNBEXBZ-KKSFZXQISA-N 387.439 4.994 0 40 GJAB CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)[C@H]1O 195992775 QXDBLBAREDKEQW-SFHVURJKSA-N 376.283 4.863 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1Cl 222847189 GTPHMPWNDBEGHV-AWEZNQCLSA-N 388.895 4.583 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cc1 222974799 ZPTVBZUUBCMCMQ-YADHBBJMSA-N 390.556 4.953 0 40 GJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2)c1ccc(OC)cc1 225258893 FYHDTQQEGHXYCK-XZOQPEGZSA-N 381.516 4.999 0 40 GJAB Fc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1F 225368666 ZQWOOEGCAUEKMB-UHFFFAOYSA-N 390.883 4.977 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@@H]2CCCc3ccccc32)ccc1Cl 225461551 DRYUYIDEFQHLCS-GOSISDBHSA-N 388.920 4.881 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)C2(c3ccccc3)CCOCC2)cc1 225689197 QDYXWKBKHBKHNF-QFIPXVFZSA-N 381.516 4.647 0 40 GJAB COc1ccccc1CNC(=S)c1ccc(OCc2ccccc2)c(OC)c1 408571677 CICOOYMITRHCSK-UHFFFAOYSA-N 393.508 4.748 0 40 GJAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccccc3Cl)nc12 408628044 PVFMPMXRIKRNKI-UHFFFAOYSA-N 375.906 4.693 0 40 GJAB CN(Cc1cccc(OC(F)(F)F)c1)Cc1cccc(O)c1Br 1140555702 SFQLUJAXDLPGSU-UHFFFAOYSA-N 390.199 4.685 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1ccc(COc2cc(C)cc(C)c2)o1 1083489 GZGFDVPMTDXICR-UHFFFAOYSA-N 379.412 4.514 0 40 GJAB aggregator COc1ccc(-c2cc3nc4c(c(N5CCC[C@@H](C)C5)n3n2)CCCC4)cc1 1341523 MSPAFBYMMRZIKC-MRXNPFEDSA-N 376.504 4.520 0 40 GJAB Cc1ccc2c(c1)nnn2C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 1380725 TVTXWEVUJZRBMF-UHFFFAOYSA-N 376.504 4.515 0 40 GJAB CCCC[C@@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1791748 JGSCNFBKLFYANO-YFKPBYRVSA-N 399.057 4.540 0 40 GJAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc(C(=O)O)cc1 2834390 NIYPJYLWFWTPNX-UKTHLTGXSA-N 383.812 4.597 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)Nc3cccc(Cl)c3)s2)c1 3345501 LFABCMCOPVPNAY-UHFFFAOYSA-N 390.921 4.974 0 40 GJAB C#C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C=C(C(C)(C)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 3849811 NFVZMTPMHRVCTP-YDEHCHDGSA-N 382.544 4.961 0 40 GJAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2)cc1 4688091 LLYSBVLSMBWAAY-MRXNPFEDSA-N 399.560 4.837 0 40 GJAB CCCc1cc(=O)oc2c(C)c(O[C@@H](C(=O)OCC)c3ccccc3)ccc12 4747401 AHVRCKICGWAYFY-JOCHJYFZSA-N 380.440 4.737 0 40 GJAB COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 5209771 IHOTUMLKDLMSLP-OAHLLOKOSA-N 397.906 4.875 0 40 GJAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)c(OC)c1 5253052 FAACTDGNFHHGQS-XWGVYQGASA-N 399.506 4.711 0 40 GJAB CN(C)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1 5523899 PUWDWHNREQTJSB-UHFFFAOYSA-N 388.496 4.919 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccc(C)cc2[nH]1 6017030 TXYTXBVZBVXVGE-UHFFFAOYSA-N 375.881 4.573 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)oc2c1 6304972 CUWFFGMHJORFMD-UHFFFAOYSA-N 385.423 4.557 0 40 GJAB S=c1nc(-c2ccccc2)n(C[C@H]2COc3ccccc3O2)c2c1CCCC2 6476014 NQQVYPMBZHYUKJ-KRWDZBQOSA-N 390.508 4.998 0 40 GJAB Cc1ccc(NC(=O)CCc2nc3cc(Cl)ccc3n(CC(C)C)c2=O)cc1 6670172 BNAKYJFRUPVNRT-UHFFFAOYSA-N 397.906 4.586 0 40 GJAB COc1ccc(-c2noc(CN(C(=O)c3ccc(C)c(Cl)c3)C(C)C)n2)cc1 6736972 GPYFREPEBQJERO-UHFFFAOYSA-N 399.878 4.758 0 40 GJAB Cc1ccsc1CN(Cc1ccco1)C(=O)COc1ccc(Cl)cc1 6747325 MVWMMHRASNUOCQ-UHFFFAOYSA-N 375.877 4.911 0 40 GJAB CCN(CC)c1ccc2cc(-c3nc(-c4ccccc4C)no3)c(=O)oc2c1 6868007 FFAIJXBYBBEFKH-UHFFFAOYSA-N 375.428 4.665 0 40 GJAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O 7078459 KQEWCEFKVJPXEM-NPRIEWAGSA-N 395.480 4.783 0 40 GJAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(-n3ccnc3)cc2)cc1 7128366 CHVAMZZYDWJYCX-HSZRJFAPSA-N 396.450 4.652 0 40 GJAB COc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1Cl 7129814 NGJNXNKQJIAMHP-UHFFFAOYSA-N 395.842 4.863 0 40 GJAB Cc1cc(=O)oc2cc(OC(=O)COc3ccccc3-c3ccccc3)ccc12 7970910 ADBFJCQBTYEYDE-UHFFFAOYSA-N 386.403 4.753 0 40 GJAB O=C(c1ccc(Cl)cc1)c1ccc(OCc2nnc(-c3ccco3)o2)cc1 8429114 NFBLWKVUMPZYLC-UHFFFAOYSA-N 380.787 4.793 0 40 GJAB Cc1cccc(CN2CCC(C(=O)NCCCc3ccccc3Cl)CC2)c1 9062574 SUEOBUFIEPBJPJ-UHFFFAOYSA-N 384.951 4.609 0 40 GJAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 9190833 RLOXUBUCZJNDJW-GFCCVEGCSA-N 395.286 4.538 0 40 GJAB Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2cccc(Cl)c2Cl)n1 9426748 AWMRBFWYBGTYKJ-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB Cc1cc(F)ccc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 11214251 KWCMFGCVNLLBMB-UHFFFAOYSA-N 378.407 4.972 0 40 GJAB COc1c(Br)cc(Cl)cc1NC(=O)COc1cc(C)cc(C)c1 12786030 KHYOSYNQHBINTP-UHFFFAOYSA-N 398.684 4.745 0 40 GJAB O=C(Nc1nc2ccccc2s1)c1csc(COc2ccc(F)cc2)n1 12800604 PZESCKLIGUTLLO-UHFFFAOYSA-N 385.445 4.723 0 40 GJAB O=C(Nc1ccnn1Cc1ccccc1Br)c1cccc(Cl)c1 12902600 OFHDIWBIONKUQJ-UHFFFAOYSA-N 390.668 4.600 0 40 GJAB O=S(=O)(/C=C/c1ccccc1)NCc1ccc(-c2nc3ccccc3s2)o1 14098308 IFCDVXRXHFIBKJ-OUKQBFOZSA-N 396.493 4.647 0 40 GJAB Cc1c(C(=O)Nc2ccc3nsnc3c2)oc2ccc(Br)cc12 15841346 MWYGHROHRCEWLE-UHFFFAOYSA-N 388.246 4.761 0 40 GJAB O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19346887 SVCRCQPMKISYMP-OAHLLOKOSA-N 388.298 4.818 0 40 GJAB O=C(Nc1ccc(CCN2CCCC2)cc1)c1csc(Cc2ccccc2)n1 19372810 DXGUBDXROCOLBU-UHFFFAOYSA-N 391.540 4.625 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1cccc(C)c1 20489099 LWSGBIQJSBMZIF-SFHVURJKSA-N 377.937 4.855 0 40 GJAB COc1cc(OC)c(C2=CCN(C(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)CC2)c(OC)c1 22186228 FYPXXRAFUKYFSJ-GCJKJVERSA-N 399.531 4.567 0 40 GJAB OC[C@H]1CCCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)C1 23968318 HWYNHULEXMWMKS-HNNXBMFYSA-N 375.497 4.720 0 40 GJAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Nc2ccc(C)cc2)cc1 24101391 CFRUNZDOJJEVDC-UHFFFAOYSA-N 380.469 4.742 0 40 GJAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CCc1ccsc1 24644707 FRLMUWZXVAISFJ-UHFFFAOYSA-N 399.343 4.865 0 40 GJAB CC(C)COc1ccc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1 24887370 WHWMFNRMNBVINO-MRXNPFEDSA-N 387.549 4.662 0 40 GJAB C[C@](CC(=O)NC[C@H]1CCCO1)(c1cccc(C(F)(F)F)c1)c1cccs1 32093655 ZZCOGOSZHFZQDJ-APWZRJJASA-N 397.462 4.758 0 40 GJAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ccccc1Cl 36620890 KTICXOWWLBVSFK-FQEVSTJZSA-N 375.921 4.745 0 40 GJAB O=C(NCc1cccc2ccccc12)NCC1CCN(Cc2cccs2)CC1 38489620 NRFZRLYNZVFNFO-UHFFFAOYSA-N 393.556 4.613 0 40 GJAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 40104605 KNPWCBXLLKROEZ-CYBMUJFWSA-N 396.882 4.553 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1 40488463 CQUAAICZGFNEJT-LLVKDONJSA-N 388.826 4.942 0 40 GJAB Cc1csc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)c1 42380231 HXYXUBQEKNWIDR-CYBMUJFWSA-N 387.505 4.734 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1cc(Cl)ccc1F)SCC(O)=N2 44891397 VSBQHJYBLZNMBO-QGZVFWFLSA-N 388.855 4.792 0 40 GJAB CCCCOc1ccc(NC(=O)N2CC(c3nc(-c4cccs4)no3)C2)cc1 49484815 VABDFOFQSOFRFH-UHFFFAOYSA-N 398.488 4.608 0 40 GJAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccccc3)oc12 67190087 PSJIPEQBYJOCDK-BZZOAKBMSA-N 385.423 4.630 0 40 GJAB Cc1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c(C)n1C(C)C 69057440 JNVZOWHEFNNWAH-UHFFFAOYSA-N 396.318 4.703 0 40 GJAB Cc1nc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)co1 72350452 OSOVGRHHKGEUGP-INIZCTEOSA-N 381.863 4.718 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1ccc(Oc2cccc3[nH]ccc23)nc1 72405018 RJMFKRLRZSKGLC-UHFFFAOYSA-N 389.411 4.625 0 40 GJAB C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(N2CCOC2=O)cc1 84651565 SCYWRXLHIPPKQQ-JTQLQIEISA-N 385.773 4.884 0 40 GJAB CN(C)CCCN(C)C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 95463140 HXWIVYCCWSAWJH-UHFFFAOYSA-N 399.585 4.612 0 40 GJAB Cc1cc(C)nc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1 95972419 XIFXKAYXOLRXQR-UHFFFAOYSA-N 394.784 4.809 0 40 GJAB COc1ccc(/C=C2\SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1 96602716 WCJXHZGTXOLABI-YVLHZVERSA-N 388.876 4.763 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)ccc21 100271167 FMQSFXLYUGDCOT-DNQXCXABSA-N 390.483 4.875 0 40 GJAB Cc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1C 101092228 BGDSNICJSSQLHW-QFBILLFUSA-N 387.277 4.836 0 40 GJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1C 224459717 KFEABFZXUYMSQY-RBUKOAKNSA-N 382.920 4.559 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224991849 BEKBESJDFLIIAN-UHFFFAOYSA-N 389.923 4.990 0 40 GJAB CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 225862743 QPRRJIMRVUBGJI-UHFFFAOYSA-N 388.895 4.601 0 40 GJAB COc1ccc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)oc2c1 226042896 YXUPTOGEXWNGAK-UHFFFAOYSA-N 387.391 4.846 0 40 GJAB COc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc(OC)c1OC 226343637 XKMGNTIRNCRSDH-UHFFFAOYSA-N 397.656 4.672 0 40 GJAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(Cl)cc1Cl 227146782 LUHPDHBYGJOGSN-UHFFFAOYSA-N 390.064 4.599 0 40 GJAB COCCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 409129097 KBBXPEINZBBHPH-XNTDXEJSSA-N 397.374 4.648 0 40 GJAB CC(C)(NCc1ncc(Cl)cc1Br)c1cc(C(F)(F)F)on1 527710211 NBLBRVAMICHVSL-UHFFFAOYSA-N 398.610 4.529 0 40 GJAB FC(F)(F)c1cccc([C@@H](NCc2ccc3c[nH]nc3c2)C2CCOCC2)c1 560067736 ZIWWPQGQHSTKDT-FQEVSTJZSA-N 389.421 4.839 0 40 GJAB O=C(NCc1cncc(-c2ccco2)c1)NC(c1ccccc1)c1ccccc1 585403371 DBQHVFLTXPTZLZ-UHFFFAOYSA-N 383.451 4.930 0 40 GJAB COc1ccc(-c2ccc(NC(=O)c3c(C4CCC4)cnn3C)nc2)cc1Cl 622858637 WBRNXDNEYLQEGJ-UHFFFAOYSA-N 396.878 4.664 0 40 GJAB C[C@H]1CN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)C[C@@H](C)N1C 1160105193 ZMXLMDVDPSXQHD-AOOOYVTPSA-N 390.858 4.738 0 40 GJAB CC(C)CN1C(=O)C2(CCOCC2)c2cc(NC(=O)CC3=CCCCC3)ccc21 2055793459 HJYNRYYNTPIOJS-UHFFFAOYSA-N 396.531 4.566 0 40 GJAB O=c1c(SCc2ccccc2)c(N2CCCCC2)cnn1-c1ccccc1 641791 UPASKZHJWHRKFO-UHFFFAOYSA-N 377.513 4.515 0 40 GJAB O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cccnc1 848960 KRXCZRLUXXDDEJ-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@H](C(C)C)C[C@H]12 899569 GCAXPYWXIWWHHT-GRDTXPOLSA-N 386.488 4.852 0 40 GJAB endogenous,in-man CCCCCNC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2377786 CLDYSGRAEWWCEF-UHFFFAOYSA-N 379.508 4.592 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c(C)c1 3259991 SLGUIPRICGHWRG-UHFFFAOYSA-N 375.424 4.891 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)s2)c(C)c1 3378994 DCACHCSSWIGVIJ-HIFRSBDPSA-N 390.578 4.686 0 40 GJAB CN(C)CCCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1 3469622 IEBUACWTCPKRKU-UHFFFAOYSA-N 399.947 4.812 0 40 GJAB CCCCOc1ccc(N2C[C@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 4600360 WYAICLQHFOAMDN-LJQANCHMSA-N 394.515 4.782 0 40 GJAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(nc3ccccc32)N1 4735581 QMGCHOHRMBHISJ-NRFANRHFSA-N 391.471 4.677 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1ncccc1-c1nc2ccc(C)cc2[nH]1 4903297 LEMHBVBEYULFBA-INIZCTEOSA-N 394.544 4.817 0 40 GJAB Cc1ccc(C)c(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1 5147352 UYQITPNMSRSQOO-UHFFFAOYSA-N 379.460 5.000 0 40 GJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C)cc1Cl 6472946 LMUUBKYUVVMUQD-UHFFFAOYSA-N 384.819 4.755 0 40 GJAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C 6831972 RICAVHODDLDMJT-CYBMUJFWSA-N 387.892 4.550 0 40 GJAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(Cl)cc1F 7580489 FEZSIQXADFTBDI-UHFFFAOYSA-N 378.856 4.775 0 40 GJAB CCOc1c(Br)cc(Br)cc1CNC1CCCC1 8253302 BXEMYMWQDWMKGE-UHFFFAOYSA-N 377.120 4.643 0 40 GJAB Cc1ccc(SCCNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 8264768 ZRNGYEKPZSZXGN-UHFFFAOYSA-N 394.544 4.720 0 40 GJAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c1 8903635 CZPOOFCTEZNPRO-UHFFFAOYSA-N 398.484 4.901 0 40 GJAB COC1CCN(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1 8921343 LENHZWAVJRZBTD-UHFFFAOYSA-N 388.920 4.580 0 40 GJAB CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc(Cl)c(Cl)c2)cs1 9659461 FEOUYEIRGZIIRF-UHFFFAOYSA-N 386.304 4.616 0 40 GJAB Cc1ccc(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 10689949 SHSPJZIQQHQSHD-JOCHJYFZSA-N 384.479 4.803 0 40 GJAB O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1ccccc1C(F)(F)F 12527024 WCCOSPOMAZWFEQ-UHFFFAOYSA-N 395.358 4.660 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccco1 12560055 ASPIUVPWBJPFDY-KRWDZBQOSA-N 385.345 4.694 0 40 GJAB Cc1cc(C)c2nc(NC(=O)c3cc(C4CC4)nc4onc(C)c34)sc2c1 12923185 MRGQDPUDJQQDGT-UHFFFAOYSA-N 378.457 4.887 0 40 GJAB COc1ccc(CN(Cc2ccncc2)C[C@H](C)c2ccccc2)cc1OC 13989942 NSLVFAPXVHMTQG-IBGZPJMESA-N 376.500 4.905 0 40 GJAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1cccs1)c1ccccn1 15669877 HQNTZILUIYUUSW-UHFFFAOYSA-N 396.855 4.750 0 40 GJAB COc1cc(CN[C@H](Cc2ccsc2)c2ncccc2C)cc(OC)c1OC 19237634 ABTUADLBOKWKDT-GOSISDBHSA-N 398.528 4.551 0 40 GJAB CC1(C)C[C@H](NC(=O)Cc2csc(-c3ccccc3)n2)c2ccccc2O1 19715097 WNEXDWMMOUGCBD-SFHVURJKSA-N 378.497 4.771 0 40 GJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 20047671 YFOHXHADQFMYLW-FGZHOGPDSA-N 385.504 4.765 0 40 GJAB O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)C(Cl)(Cl)Cl 22464301 LONCPHHLCUAKME-UHFFFAOYSA-N 396.661 4.636 0 40 GJAB Cc1ccc(-c2csc3nc(CN4CCc5ccccc5C4)[nH]c(=O)c23)s1 23909309 NZRTZVGYEGOFHW-UHFFFAOYSA-N 393.537 4.580 0 40 GJAB Cc1ccc(SCCNC(=O)Cc2csc(-c3ccsc3)n2)cc1C 24751787 NMJQVXMFMKEQDF-UHFFFAOYSA-N 388.583 4.939 0 40 GJAB CCc1ccc(CN(C(=O)COc2ccc(Cl)cc2)c2ccccn2)cc1 27664103 FRPRZRUZGOLFRW-UHFFFAOYSA-N 380.875 4.910 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 27990437 NTINUEMIZMXSGE-GOSISDBHSA-N 394.540 4.862 0 40 GJAB CCOc1ccccc1NC(=O)c1ccc(COc2ccc(C(C)=O)cc2)o1 28237258 PRGQNMRYKMSRBI-UHFFFAOYSA-N 379.412 4.712 0 40 GJAB Cc1[nH]c(SCC(=O)N[C@H](c2cccs2)C(C)C)nc1Cc1ccccc1 29239932 WHDLBXHXSXHSPY-FQEVSTJZSA-N 399.585 4.976 0 40 GJAB CCNc1nnc(SCc2csc(Cc3ccc(Cl)cc3)n2)s1 32329594 KPHBPSLYHPKZJA-UHFFFAOYSA-N 382.967 4.963 0 40 GJAB Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCc3ccccc32)c1C(F)(F)F 46179682 QRKQUTUBOFRHKK-QGZVFWFLSA-N 385.389 4.617 0 40 GJAB COc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)cc1 49004733 SGCAQPIZCXQGEO-UHFFFAOYSA-N 390.487 4.707 0 40 GJAB COc1ccccc1-c1c(C)oc2c3c(ccc2c1=O)OCN(CC(C)C)C3 57176043 PDSQLKYAJNQDEQ-UHFFFAOYSA-N 379.456 4.585 0 40 GJAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc2ccccc2c1 58008855 USYCMJZXZGKKQE-UHFFFAOYSA-N 386.373 4.998 0 40 GJAB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(C(=O)/C=C/c2cccc(F)c2)c2ccccc21 58156985 AZZXXUGEKOQVPT-VBENSVIVSA-N 394.490 4.663 0 40 GJAB O=C1c2ccccc2C(=O)N1CCCCSC1=Nc2ccccc2CS1 58358089 JJHHDAITZYASTG-UHFFFAOYSA-N 382.510 4.731 0 40 GJAB FC(F)Oc1ccc(-n2nnnc2CSc2ccc3ccccc3c2)cc1 58424040 KGPHGIIIBWLWGX-UHFFFAOYSA-N 384.411 4.709 0 40 GJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(C)cc1 59351767 WWVQORKYKJCRIC-RDTXWAMCSA-N 376.294 4.792 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1 59419009 ANVLEGGNZNLZQY-GZTJUZNOSA-N 388.876 4.845 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CCSc4c(F)cccc43)cc2)n1 61134881 VGOCBWQZXYUJLN-HXUWFJFHSA-N 395.503 4.654 0 40 GJAB C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@@H](c2ccccc2)O1 65591443 AZGHNCPCNIGPJW-DYVFJYSZSA-N 386.904 4.999 0 40 GJAB COc1ccc2c(c1)[C@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[C@@H]3CCCCO3)CC[C@@H]12 65743337 KBLHOUGMAXJFJU-QSCVSSCQSA-N 386.532 4.954 0 40 GJAB in-vitro Cc1cc(C)cc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1 67293194 SPRAISRKQUINEL-BZZOAKBMSA-N 385.423 4.635 0 40 GJAB CCOc1ccccc1-c1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 72333549 FKPIOCSYHNVJHX-UHFFFAOYSA-N 380.517 4.719 0 40 GJAB COc1cc(CC(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccccc1 77272986 YHOQRDYKTVTNKJ-SFHVURJKSA-N 375.468 4.694 0 40 GJAB in-vitro Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(F)c(Cl)c1)SCC(O)=N2 79477037 JZGNNVXDOKDVKE-QGZVFWFLSA-N 388.855 4.792 0 40 GJAB COc1ccc([C@@H]2CC(=O)CC(=O)[C@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 100917855 APLRHUIRZISVRH-YOEHRIQHSA-N 397.780 4.562 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219379566 XHWOCVGDPZDJOG-RTBURBONSA-N 385.504 4.746 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SC(C)C)s1 222925658 AFYRFHWRJTZIDF-INIZCTEOSA-N 387.530 4.988 0 40 GJAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 224110721 YGNRTUJOUOPLJJ-UHFFFAOYSA-N 394.452 4.600 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1CCCNc1ccccc1 225033545 ZKUHGCILYKWMIJ-VQTJNVASSA-N 394.569 4.618 0 40 GJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225693469 CAYSVUYSXMTPMQ-QHCPKHFHSA-N 390.568 4.721 0 40 GJAB Cc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)cc(C)c1O 257270642 MVBGAZQIPKBJFP-QYHHQVRGSA-N 385.548 4.664 0 40 GJAB Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 257311710 UKRPWTLEBJOQRB-SFHVURJKSA-N 375.447 4.902 0 40 GJAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 408627136 KOKQFXZZLAKUHN-AWEZNQCLSA-N 387.936 4.846 0 40 GJAB CN(C)[C@@H](CNC(=O)Cc1c(F)cccc1Cl)c1csc2ccccc12 575622427 YQXKWDCDCSLGJL-SFHVURJKSA-N 390.911 4.655 0 40 GJAB COc1ccc2cc(C(=O)Nc3ccccc3-c3cn4c(n3)CCCC4)[nH]c2c1 585150185 FSGQVBAJBCSHQE-UHFFFAOYSA-N 386.455 4.629 0 40 GJAB Cc1cccc(-c2cccc(CNC(=O)N[C@H]3COc4c(C)cccc4C3)c2)c1 1563897314 SAASZOXEHPOZFC-HSZRJFAPSA-N 386.495 4.773 0 40 GJAB O=C(CSc1nc2ccccc2s1)Nc1ccc(OC(F)(F)F)cc1 708711 FVNCFMNPSIIUQY-UHFFFAOYSA-N 384.404 4.926 0 40 GJAB COc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(C)=O)c(Cl)nc2c1 1239325 ZIVCLQILTQZZNS-HXUWFJFHSA-N 379.847 4.594 0 40 GJAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)COc1ccccc1C 1329996 XCIWMNZKRQHELW-UHFFFAOYSA-N 380.469 4.635 0 40 GJAB O=C(Cc1ccccc1)N(c1nnc(-c2ccc(F)cc2)s1)C1CCCC1 1345223 ANPXIRVTBBQNBS-UHFFFAOYSA-N 381.476 4.863 0 40 GJAB CC(C)[C@@H]1Cc2c(sc3nc(SCc4cccc(F)c4)nc(N)c23)CO1 2226120 CSXDFTJIJFQVFW-AWEZNQCLSA-N 389.521 4.802 0 40 GJAB CSc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCCCC2)cc1 2268546 KNCGLJXGCXUPGM-FXBPSFAMSA-N 394.540 4.582 0 40 GJAB COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H]4CCCCC4=O)ccc23)cc1 2438486 SCSSZYHBDINXAY-OAQYLSRUSA-N 378.424 4.668 0 40 GJAB biogenic COc1ccc(C)cc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 2447199 NWZNNLMSUFSYQB-UHFFFAOYSA-N 399.541 4.618 0 40 GJAB CCOC(=O)C(=Cc1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)OCC 3172500 DPFRWAYXSGNTJY-UHFFFAOYSA-N 396.411 4.771 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N(C(C)C)C(C)C)s2)cc1C 3286166 RKJKNTBDEKITLI-UHFFFAOYSA-N 378.567 4.636 0 40 GJAB C[C@H](NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 3297273 KYXMDSYBKPJZCC-KRWDZBQOSA-N 375.424 4.513 0 40 GJAB CN(Cn1nc(-c2cccs2)n(C[C@H]2CCCO2)c1=S)C1CCCCC1 3375086 BIENZMFMJWPTHR-MRXNPFEDSA-N 392.594 4.544 0 40 GJAB Cc1sc2nc(-c3cccnc3)nc(N3CCOCC3)c2c1-c1ccccc1 3427716 QDVOAJSUDSQJQP-UHFFFAOYSA-N 388.496 4.565 0 40 GJAB COc1ccc2cc(C(=O)Nc3cccc4ccccc34)sc(=O)c2c1OC 3651768 MYTAUHGTONAVMF-UHFFFAOYSA-N 391.448 4.684 0 40 GJAB COc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1 4106600 ALXMLJCQGOIBRU-XSFVSMFZSA-N 390.464 4.722 0 40 GJAB CC[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(C(C)C)s1 4174619 DMOFZVWYTPCGNR-LLVKDONJSA-N 378.548 4.781 0 40 GJAB CN(C)CCCN(C(=O)C1CCCCC1)c1nc(-c2ccc(F)cc2)cs1 4215031 MYNNZIOMRROQMO-UHFFFAOYSA-N 389.540 4.814 0 40 GJAB CSc1ccc2nc(Nc3nnc(-c4ccc5c(c4)OCCO5)o3)sc2c1 4359841 MOEJXOPOILCMES-UHFFFAOYSA-N 398.469 4.583 0 40 GJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCc4ccccc4)c(C)c3cc12 4743812 OERFFSNZNRROBR-UHFFFAOYSA-N 389.451 4.713 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(SC)cc3)n2)c1 5222814 UCQIYAUIDTYRIP-UHFFFAOYSA-N 386.498 4.802 0 40 GJAB CCOC(=O)c1oc2ccccc2c1CN(C)CCOc1ccc(Cl)cc1 5937007 SGSMDJTXCMLMHA-UHFFFAOYSA-N 387.863 4.774 0 40 GJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(OC)c(Br)c2)c1 6554870 FGADQLXPBKOLIQ-GFCCVEGCSA-N 378.266 4.887 0 40 GJAB CCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Cl)cc32)cc1 6600838 VNDLNJJMWYEWLQ-UHFFFAOYSA-N 376.847 4.568 0 40 GJAB COc1ccc(CC(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 6607873 UUAYZCKMKFQAEM-VWLOTQADSA-N 399.446 4.886 0 40 GJAB Cc1cccc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c1C 6886681 HYZGJFMBXTWIDN-UHFFFAOYSA-N 379.481 4.731 0 40 GJAB CCOc1ccccc1Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 6974800 BQKKRFJZVLWTOL-UHFFFAOYSA-N 376.481 4.880 0 40 GJAB COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccncc3)c3ccccc3n2)cc1 7184042 DJEYNJAYNVUERB-MRXNPFEDSA-N 383.451 4.796 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 7687157 YIMXUKXVYDXAAO-LJQANCHMSA-N 386.561 4.512 0 40 GJAB O=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(Cl)nc1 7985454 ZBPCRLXIXGAWHN-UHFFFAOYSA-N 390.826 4.923 0 40 GJAB COc1ccc(CN2C[C@@H](c3nc4ccccc4n3CCC(C)C)CC2=O)cc1 8786748 QXVRBNQPBGTABN-IBGZPJMESA-N 391.515 4.607 0 40 GJAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H]1c1cccs1 9117722 RNROAESHRSCKDJ-FXAWDEMLSA-N 383.561 4.903 0 40 GJAB Cc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1cccs1)C3 10156918 YNYXPDNUSGWLOQ-ZDUSSCGKSA-N 394.887 4.727 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)c(C)c1 10225054 BVPUAVFJEXFUNF-SFHVURJKSA-N 375.516 4.991 0 40 GJAB O=c1c2c(-c3ccc(Cl)cc3)ccnc2[nH]n1-c1nc2ccccc2s1 10338966 SFZCDKGFGIZAMQ-UHFFFAOYSA-N 378.844 4.644 0 40 GJAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1c(C)cccc1C 11692518 KNGZRLRRNGXQTG-QFIPXVFZSA-N 391.515 4.806 0 40 GJAB O=C(N1CCC(c2onc3c2CCCC3)CC1)C1(c2cccc(F)c2)CCCC1 12120169 LKSQGOYEBGFWLX-UHFFFAOYSA-N 396.506 4.911 0 40 GJAB CCCOc1c(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)cccc1OC 12238104 VYGCLWRWVIHNAC-QRQCMCJISA-N 399.506 4.638 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1c(F)cccc1Cl 12753917 ANAVWJPCGIFZMX-UHFFFAOYSA-N 383.732 4.936 0 40 GJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)Nc1ccc(F)cc1F 12754659 VZBBMYBIPXCMEJ-GOSISDBHSA-N 379.838 4.577 0 40 GJAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCC[C@@H]1c1cccs1 12766385 SQIVFHAYRWUIOH-LJQANCHMSA-N 388.496 4.518 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccccc1OC(F)(F)F 12796532 DMJQUIXSDXLSTD-UHFFFAOYSA-N 398.431 4.629 0 40 GJAB COc1cccc(/C=C/C(=O)N(Cc2ccco2)c2ccc(C)cc2)c1OC 12805548 DAPHOAMEVBXVGJ-SDNWHVSQSA-N 377.440 4.852 0 40 GJAB CC(C)c1cc(C(=O)Nc2ccnn2C2CCCC2)c2cnn(C(C)C)c2n1 12975119 PMVDUJNPPZCILD-UHFFFAOYSA-N 380.496 4.700 0 40 GJAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)cc1 13282016 ZHMRASPXKWPKCH-UHFFFAOYSA-N 384.370 4.504 0 40 GJAB CC(C)(C)C(=O)NC1CCC(CC2CCC(NC(=O)C(C)(C)C)CC2)CC1 17077491 VXGAWTVZQOMLQN-UHFFFAOYSA-N 378.601 4.819 0 40 GJAB Cc1cc(Br)ccc1N1C(=O)[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C1=O 18244046 FIRSCXKURKFPSN-JQHSSLGASA-N 398.300 4.831 0 40 GJAB Cc1cc2nc(Nc3nc(C)c(Cc4ccccc4C)c(=O)[nH]3)nc(C)c2cc1C 20798009 JNDWTDRMTISHIA-UHFFFAOYSA-N 399.498 4.590 0 40 GJAB COc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCCCC1 28291853 OWYDALCVFBEIOZ-JOCHJYFZSA-N 380.532 4.776 0 40 GJAB COc1cc(C(=O)N[C@H](c2cccs2)C(C)C)ccc1OCc1ccncc1 31895641 FUWAJMXAINUIFM-NRFANRHFSA-N 396.512 4.858 0 40 GJAB CCCn1nnc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)n1 32617125 NUNSWIGTEOAAJG-UHFFFAOYSA-N 392.290 4.581 0 40 GJAB O=C(COc1ccc(Br)cc1)N1CCC[C@H]1c1ccc(Cl)cc1 32796212 VLVBWSCZDGPTIV-KRWDZBQOSA-N 394.696 4.845 0 40 GJAB Cc1nccn1Cc1cccc(CNC(=O)c2ccc(-c3ccccc3F)o2)c1 32809648 HGBKUYGVEZTTKY-UHFFFAOYSA-N 389.430 4.569 0 40 GJAB S=C(Nc1ccccc1Cl)NC1C[C@@H]2CC[C@H](C1)N2Cc1cccs1 35310747 DZIOGDUMPKOZMC-GOOCMWNKSA-N 391.993 4.884 0 40 GJAB O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 38580518 UUHBRVGMVCJAAL-OAQYLSRUSA-N 379.456 4.559 0 40 GJAB CC1(C)OC[C@H](COP(=O)(OCc2ccccc2)OCc2ccccc2)O1 39061702 DYWQMEVAWGQPMX-LJQANCHMSA-N 392.388 4.696 0 40 GJAB in-vitro O=C(Nc1nccs1)[C@H](Oc1ccccc1Br)c1ccccc1 40140108 SNYXQUVDLCYHEU-OAHLLOKOSA-N 389.274 4.664 0 40 GJAB Cc1ccc(-c2nc(CSCc3cc(=O)n4c(C)csc4n3)cs2)cc1 45009058 IUXOLSMLFOQFFU-UHFFFAOYSA-N 399.566 4.930 0 40 GJAB O=C(NCCCn1cnc2ccccc21)N[C@@H](Cc1ccccc1)c1ccccc1 58724486 IHPMPWODPNORQM-QHCPKHFHSA-N 398.510 4.710 0 40 GJAB Cc1[nH]c2ccccc2c1C1CCN(CC(=O)Nc2ccc(F)cc2F)CC1 95360784 RSODJZXNIWGTCI-UHFFFAOYSA-N 383.442 4.573 0 40 GJAB CCCCN(C)C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96266617 NLELVFFYTLEPJX-UHFFFAOYSA-N 398.532 4.814 0 40 GJAB CC(=O)CCc1ccc(OCC(=O)Nc2cc(-c3ccncc3)ccc2C)cc1 101846929 PTTFFWWJUJAKIC-UHFFFAOYSA-N 388.467 4.596 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)cc12 101987269 RROVAUSODFWSPM-ZDRJDWQYSA-N 379.529 4.950 0 40 GJAB CCOc1c(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cccc1OC 214618416 IJJRJEWZOIFHKK-LDADJPATSA-N 383.469 4.639 0 40 GJAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cc(Cl)c(O)c(Cl)c2)S1 222583622 IIDLYSWGSXLJGU-LNHVQRHZSA-N 380.300 4.683 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(Br)cc3)N21 222643973 SRPAFVNITVZRIF-HYVNUMGLSA-N 388.334 4.824 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 224677502 FSLKVHDJQSAXFV-ZHRRBRCNSA-N 393.483 4.892 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc3c(c2)OCCO3)cc1 225499169 JMMQJPDNZPEQLZ-GOSISDBHSA-N 386.517 4.540 0 40 GJAB CCOc1ccc(NCc2cc(Br)c(OCC)c(OC)c2)cc1 319601165 MCNKLXGFEKXUER-UHFFFAOYSA-N 380.282 4.867 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)N1CC[C@H]2C[C@@H]2C1 666042443 BQSUOEBWBXJWPR-TUNNFDKTSA-N 389.499 4.538 0 40 GJAB C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)c1cc(O)nc2ccccc12 1132351395 PRRAEXMVZQNHMC-QFIPXVFZSA-N 398.865 4.970 0 40 GJAB COc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C)c(OC)c1 881267 FXOBDVIGIXTXPO-UHFFFAOYSA-N 396.512 4.908 0 40 GJAB CC1=C[C@@H](C)[C@H](CN(C2CCCCC2)S(=O)(=O)c2ccc(N)cc2)[C@@H](C)C1 1138691 GMXNCELBMADRND-FGSXEWAUSA-N 390.593 4.831 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(Cl)c(Cl)c1 1434812 PDIAPLGKQLNVBI-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB c1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1 1622950 BYJHUDSOAJICCH-UHFFFAOYSA-N 390.406 4.686 0 40 GJAB Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 2432984 LZDQVJJPJLMKHX-GOSISDBHSA-N 388.448 4.616 0 40 GJAB Cc1ccc(-c2nsc(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 2917456 XTFXQECGKZVXFQ-UHFFFAOYSA-N 375.906 4.898 0 40 GJAB Cc1cccc(NC(=O)OCCNC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1C 3087645 URQMKSZMXYUHCW-XJKSGUPXSA-N 399.318 4.559 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)cc1 3330183 OWDSDSYTMCFGIZ-UHFFFAOYSA-N 398.821 4.992 0 40 GJAB CCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1-c1ccccc1 3518288 UHQWSNRMBBCZEN-UHFFFAOYSA-N 377.469 4.672 0 40 GJAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)c1ccc(F)cc1 4393787 ILHKCJNXOXZSCZ-CQSZACIVSA-N 377.415 4.681 0 40 GJAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)C1(C)C 4717202 ODVRQBMHIDGPLA-ICSRJNTNSA-N 395.572 4.697 0 40 GJAB CCc1ccccc1NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O 5237462 LNKQSMSEYLIADB-UHFFFAOYSA-N 395.462 4.919 0 40 GJAB CC1(C)C[C@@](CCN2CCN(c3ccccc3)CC2)(c2ccccc2)CCO1 6719250 NDQBUUXGNKMAOY-VWLOTQADSA-N 378.560 4.726 0 40 GJAB CSc1ccccc1N[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 6786884 QHYGOCGRZGQQIJ-HXUWFJFHSA-N 398.553 4.540 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2C)c(OC)c1 7601400 LEDYKGVANOFUHY-UHFFFAOYSA-N 398.532 4.533 0 40 GJAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccccc3[C@@H](C)CC)CC2=O)cc1 7929204 RRUBUQXHTIVJKC-DLBZAZTESA-N 381.472 4.557 0 40 GJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2ccc(F)cc2)o1 8496606 YCHZPBXIATVOIQ-UHFFFAOYSA-N 396.447 4.759 0 40 GJAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc4ccccc4c3)cc21 8959502 NNSCOYZFUYGZGV-UHFFFAOYSA-N 388.467 4.864 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC([C@H](O)c2ccccc2)CC1 12802569 VAZMGKVSUICIFW-GOSISDBHSA-N 379.287 4.971 0 40 GJAB C[C@H](NC(=O)CN(Cc1ccco1)Cc1ccco1)c1ccc2c(c1)CCCC2 12987476 ZMRKARBMWQTLRF-SFHVURJKSA-N 392.499 4.631 0 40 GJAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1N1CCCC1 14779466 QYECMUOZCSBRPO-UHFFFAOYSA-N 379.435 4.652 0 40 GJAB COc1ccc2cc3c(nc2c1)N(C(=O)C(c1ccccc1)c1ccccc1)CC3 15842139 FUTLWOPHSZYFPE-UHFFFAOYSA-N 394.474 4.965 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 18204723 MMVCSKZALNEQFG-STQMWFEESA-N 379.909 4.715 0 40 GJAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cccnc3)no2)cc1OC 19561518 NRRVDFLSRBYNKW-FQEVSTJZSA-N 393.487 4.871 0 40 GJAB Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 19666234 LFZMPWLGDHTZJD-LBPRGKRZSA-N 398.459 4.520 0 40 GJAB Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@@H](CCN(C)C)c1ccccc1 19718667 DMYHDLQTWXNOPI-NRFANRHFSA-N 381.907 4.619 0 40 GJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 20141965 AMLWLDJWCGAMST-OAHLLOKOSA-N 395.455 4.877 0 40 GJAB Cc1ccc2c(Cl)c(C(=O)N3CCN(Cc4ccccc4)CC3)sc2c1 20407788 FXTUMINHRCEEOK-UHFFFAOYSA-N 384.932 4.821 0 40 GJAB Cc1ccc(SCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 20451932 ZOGIKJRRMZCRBK-IBGZPJMESA-N 382.573 4.749 0 40 GJAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 20634839 GTOYKCXTQAKIHM-KRWDZBQOSA-N 395.466 4.693 0 40 GJAB O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccccn1 22927594 OQGMMIBCWSZUAJ-NRFANRHFSA-N 382.916 4.874 0 40 GJAB Cc1cc(C)n(-c2ccccc2NC(=O)Cc2csc(-c3ccsc3)n2)n1 25013995 FBZADRJCCRULNK-UHFFFAOYSA-N 394.525 4.855 0 40 GJAB CCSc1ncc(Br)c(-c2nnc(-c3ccccc3Cl)o2)n1 28287109 QRLPGJZALNCJDH-UHFFFAOYSA-N 397.685 4.722 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccccc2)cc(C)c1Cl 28291060 MTRNKMMNBQXHDO-MRXNPFEDSA-N 383.879 4.608 0 40 GJAB Cc1nc(CC(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cs1 29188095 IHMLDCKTQYEZJL-UHFFFAOYSA-N 388.439 4.825 0 40 GJAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)N1CCSc2ccccc21 29936354 AQDLDIJQVZFHSE-OAQYLSRUSA-N 398.528 4.705 0 40 GJAB O=C(NCc1nc2ccccc2s1)c1cc(-c2ccncc2)nc2ccccc12 31098981 SMDNMSFRYYIFQY-UHFFFAOYSA-N 396.475 4.837 0 40 GJAB Cc1cccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccco2)c1 40158809 QBWQJUYTVYGMCC-UHFFFAOYSA-N 375.453 4.811 0 40 GJAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C12CC3CC(CC(C3)C1)C2 61972683 BMKXIVSYGCERBJ-UHFFFAOYSA-N 380.513 4.669 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c(Cl)c1 65474639 GVLFOKPQDMUYKJ-SNVBAGLBSA-N 378.910 4.831 0 40 GJAB CC(C)c1nnc(NC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)s1 69949193 LHWDBJLYBHDTGO-QWHCGFSZSA-N 384.530 4.960 0 40 GJAB Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC(=O)c1ccc(Cl)s1 71837475 RYQFYOSHJNBUPG-UHFFFAOYSA-N 379.796 4.544 0 40 GJAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72214495 OGLCZPXMJFHFFQ-OAHLLOKOSA-N 377.485 4.525 0 40 GJAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)cc1 72348993 OXVVBYIXFSNRGX-NRFANRHFSA-N 386.495 4.706 0 40 GJAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414308 WOUYXESCHHSUNA-UHFFFAOYSA-N 390.892 4.786 0 40 GJAB O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc(-c2ccccc2Cl)on1 84525073 GWUHAOLKRHZVGT-OAQYLSRUSA-N 389.842 4.909 0 40 GJAB Cc1cc([C@@H](O)CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C)o1 85561703 XEHSIOZBAFNMEY-IBGZPJMESA-N 375.896 4.602 0 40 GJAB C[C@H](NC(=O)CSCc1ccccc1Br)[C@H]1C[C@@H]2CC[C@@H]1C2 103122306 FUQCFIAXZNMTAB-DSJMHWKBSA-N 382.367 4.623 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCc1ccc(Cl)cc1 219681399 GJUOVQJNINSCPM-CYBMUJFWSA-N 396.712 4.619 0 40 GJAB Cc1ccc(N2CCC(C(=O)NCCCc3ccc(OC(C)C)cc3)CC2)cc1 219862564 HEQVVFRFVSQVDL-UHFFFAOYSA-N 394.559 4.748 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 222802167 BUWNGAQIGFYGPT-RTBURBONSA-N 383.904 4.987 0 40 GJAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 222820820 GAGXFCXMBZPBTG-VQTJNVASSA-N 396.947 4.907 0 40 GJAB S=C(Nc1nc(Cl)cc(N2CCCCCC2)n1)NC1CCCCCC1 226011410 HHEMWVZGXPQNDX-UHFFFAOYSA-N 381.977 4.520 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(C)c2)cc1 408699674 VOYJUPXLSGHPAL-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc3ccc(OC)cc3[nH]2)cc1 514835339 GQOFZUZOKFQGMK-CYBMUJFWSA-N 397.500 4.674 0 40 GJAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccc(C(F)(F)F)nc1 575620207 OTXBOEOEEZWDBJ-UHFFFAOYSA-N 386.377 4.553 0 40 GJAB O=C(Oc1c(-c2ccccc2)c(=O)n2c3c(cccc13)CCC2)c1ccccc1 1036083 LEYCUCIUEZSRFG-UHFFFAOYSA-N 381.431 4.834 0 40 GJAB CCC(=O)N1CCc2cc(-c3nc(NC(=O)c4ccccc4)sc3C)ccc21 1366565 PTHXBOUPWVAJTC-UHFFFAOYSA-N 391.496 4.670 0 40 GJAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)Nc1cccc(Br)c1 1386211 WWAZVLSIEORJNO-UHFFFAOYSA-N 393.590 4.698 0 40 GJAB CCCCCOc1cccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)c1 2109087 UVRAHFZNMLZKNC-LECGRMGRSA-N 390.527 4.893 0 40 GJAB biogenic Cc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1C 2252959 JBZOQNBCELDUTQ-UHFFFAOYSA-N 388.471 4.728 0 40 GJAB O=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2ccccc2)cc1 2741802 DTBJXAYRBNBHFD-UHFFFAOYSA-N 380.831 4.610 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C 3355595 ADBRGUXYTSWZKZ-CYBMUJFWSA-N 394.475 4.774 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](Sc1nnc(C)s1)c1ccccc1 3389078 XBTXIGDFBVTUOK-KRWDZBQOSA-N 385.514 4.717 0 40 GJAB CCCCCC(=O)Nc1cccnc1-n1nc(C(F)(F)F)cc1C(F)(F)F 4052555 BBHAXLSARONPTC-UHFFFAOYSA-N 394.319 4.824 0 40 GJAB CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(C(C)C)s1 4174617 DMOFZVWYTPCGNR-NSHDSACASA-N 378.548 4.781 0 40 GJAB O=c1cc(-c2ccccc2)n2c(SCc3cccc4ccccc34)nnc2[nH]1 4250075 MWWZLQLWOOSHLU-UHFFFAOYSA-N 384.464 4.530 0 40 GJAB CCC(=O)Oc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 4340703 AERQKAPLXPIFNT-UHFFFAOYSA-N 387.229 4.846 0 40 GJAB biogenic CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CC[C@H](CC)C2 4558281 KKRNCEFKOCIBFM-ZDUSSCGKSA-N 387.501 4.701 0 40 GJAB COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1 4660056 DNQWQAQPJHOVLA-UHFFFAOYSA-N 386.860 4.915 0 40 GJAB C[C@@H]1CCC[C@@H](N2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 4745315 UWADVROSAKPYEC-FGCOXFRFSA-N 382.592 4.758 0 40 GJAB COc1ccc(C(=O)NCc2ccc(C)n2C)cc1C12CC3CC(CC(C3)C1)C2 4772506 AASQYVBPFSIWAO-UHFFFAOYSA-N 392.543 4.740 0 40 GJAB Cc1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)cc1 4883088 VRTWXMPXKIDZJL-FRIKZZABSA-N 381.495 4.841 0 40 GJAB CCc1c(C)sc2nc(C)nc(SCC(=O)Nc3ccc(C(C)=O)cc3)c12 4888814 ZOSKOTCCXXAADP-UHFFFAOYSA-N 399.541 4.804 0 40 GJAB COc1ccccc1OCCn1cc(/C=C/c2cc[n+](C)cc2)c2ccccc21 4932930 DTCAIAASCGGXRZ-UHFFFAOYSA-N 385.487 4.724 0 40 GJAB O=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1 4937717 DPZHEWNUKGVIBN-LNVKXUELSA-N 379.412 4.637 0 40 GJAB Cc1ccc(C(=O)N2CCc3cc(C(=O)[C@@H](C)N4CCC(C)CC4)ccc32)cc1 4993884 LZJTUSUNOMNOMJ-LJQANCHMSA-N 390.527 4.501 0 40 GJAB CCc1ccc(C2=N/C(=C\c3c(C)nn(-c4ccccc4)c3Cl)C(=O)O2)cc1 5215229 YQZIVMHRZNWGPK-UYRXBGFRSA-N 391.858 4.741 0 40 GJAB Cc1c(C(=O)OCc2ccccc2)[nH]c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 6819389 HACPRUUSTRLDDR-QGZVFWFLSA-N 377.415 4.732 0 40 GJAB COc1ccc(CC(=O)Nc2c(-c3cccs3)nc3cc(C)ccn23)cc1 6971140 WJMXDOXTHWLKPC-UHFFFAOYSA-N 377.469 4.561 0 40 GJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCCOC2CCCCC2)c1 6989343 WVJZAXREFMZWEW-UHFFFAOYSA-N 376.497 4.503 0 40 GJAB Cc1nnc(S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)O)o1 7603668 RIRFHPVEFTYSFO-JYRVWZFOSA-N 394.861 4.993 0 40 GJAB CCOc1ccc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(C)=C2C(=O)OC)cc1 8085616 CILVCNVFUUAMTO-QNGOZBTKSA-N 391.467 4.525 0 40 GJAB Cc1ccsc1CN(C)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 8156154 VVXGTXJZJHLPGO-FQEVSTJZSA-N 391.492 4.783 0 40 GJAB C[C@@H](NCCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl 8172949 CTSLWNNBOFHPMF-LLVKDONJSA-N 392.735 4.771 0 40 GJAB CCCc1nnc2sc(/C=C(/c3ccccc3)c3ccc(OC)cc3)nn12 8392315 QLPBYCOQYXHUSY-JXAWBTAJSA-N 376.485 4.736 0 40 GJAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(C)c(C)c2)cc1 8476941 ZOOLXKLLYXSPCL-UHFFFAOYSA-N 396.494 4.790 0 40 GJAB O=C(c1ccccc1Cl)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O 9242968 OPHFLXHYOAFDIQ-UHFFFAOYSA-N 392.842 4.617 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)CCc2ccccc2)CSC3)c(C)c1 9390984 CAMMSXYAJKBNKQ-UHFFFAOYSA-N 377.513 4.807 0 40 GJAB Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccncc2)c1 9461890 JLACKZPEDIDYRO-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB Cc1cc(NC(=O)Cc2cccs2)n(-c2nc(-c3ccccc3)cs2)n1 12441763 FTUQYFRVTALAPX-UHFFFAOYSA-N 380.498 4.547 0 40 GJAB CC[C@@H](C)N1COc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2C1 12442688 NCPYAESLTGIDJW-CQSZACIVSA-N 381.428 4.544 0 40 GJAB biogenic CCc1ccc(-c2csc(NC(=O)C[C@@H](NC(C)=O)c3cccs3)n2)cc1 12486811 KDHFILLVAYABTO-MRXNPFEDSA-N 399.541 4.640 0 40 GJAB COc1cccc(N2C[C@H](c3nc4ccccc4n3CCC(C)C)CC2=O)c1 12637287 YJYFUEFUUNWAMP-QGZVFWFLSA-N 377.488 4.612 0 40 GJAB COc1ccc([C@@H](CNC(=O)/C=C/c2ccc(Cl)cc2)N2CCCCC2)cc1 13072693 NIZRBYVDKMPMCD-LGQSSRTCSA-N 398.934 4.705 0 40 GJAB Cc1nn2c(C)c(C(=O)Nc3ccccc3)nnc2c1-c1cccc2ccccc12 13635658 SSWVHAQPVGLMLK-UHFFFAOYSA-N 393.450 4.814 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3ccccc3Cl)C(C)(C)C)c(=O)[nH]c2c1 13750836 CKPSJIFYNQUVAD-UHFFFAOYSA-N 382.891 4.931 0 40 GJAB O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccc(Cl)cc1 14187870 NUTRWMXDHCMZGE-INIZCTEOSA-N 385.794 4.973 0 40 GJAB O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1ccco1 16493587 ZWPWQPWMDYKJBD-QGZVFWFLSA-N 379.803 4.502 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@H](c1ccccc1)N(C)C 16599881 GJNBMOQLJIGWHN-GOSISDBHSA-N 399.947 4.805 0 40 GJAB O=C(NCc1ccc(F)cc1)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 19926631 XWOYUMRZBZZJHO-HXUWFJFHSA-N 391.471 4.852 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)Cc3ccc4c(c3)OCCO4)ccc21 22250976 FMMFYWQJBBUXLO-UHFFFAOYSA-N 386.451 4.767 0 40 GJAB Cc1cccc(COC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)c1 23871160 DBXLFMUYUDCFLJ-UHFFFAOYSA-N 393.414 4.509 0 40 GJAB CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1C 24965756 KJESYXOOCCUXSZ-UHFFFAOYSA-N 396.468 4.885 0 40 GJAB O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1ccnc(Cl)c1 31826061 OWNYFFNLAGSJAC-UHFFFAOYSA-N 387.770 4.538 0 40 GJAB CC(C)c1cc(C(=O)OCC(=O)N[C@H](C)c2cccs2)c(O)c(C(C)C)c1 32956594 MNFNYIZMSDBVHT-CQSZACIVSA-N 389.517 4.735 0 40 GJAB Cc1cc(C)n(-c2ncc(-c3c(O)c(Cl)c(Cl)c(O)c3Cl)s2)n1 33352977 UFNMSEONVDLWEC-UHFFFAOYSA-N 390.679 4.984 0 40 GJAB Cc1cc(C(=O)Nc2cccc(C)c2C)c2c(C)nn(Cc3ccccc3)c2n1 36615775 SKASTFTUHUPONM-UHFFFAOYSA-N 384.483 4.966 0 40 GJAB Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cc(F)ccc1F 38486793 ZNHJIGUXKCWKQA-UHFFFAOYSA-N 389.818 4.572 0 40 GJAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 44017970 DRYZFZVTXYFFCQ-INIZCTEOSA-N 390.365 4.831 0 40 GJAB O=C(CCSCc1ccccc1)NCc1ccc(CN2CCCCC2)cc1 44875020 CTVSEOXOWDJSOG-UHFFFAOYSA-N 382.573 4.612 0 40 GJAB Cc1nc(NC2CCCCC2)sc1C(=O)NCCc1ccc(Cl)cc1 71326710 BBAMHDPSIBASRQ-UHFFFAOYSA-N 377.941 4.822 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)[nH]n2)cc1 72331579 KQARHZHOGSPVME-HXUWFJFHSA-N 375.472 4.673 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nccs2)C12CCCCC2 72400338 HEXKIWIYMPTMJN-MAUKXSAKSA-N 397.544 4.823 0 40 GJAB Cc1nc2ccc(C(=O)N3CCCc4cc(C(F)(F)F)ccc43)cc2nc1C 84057333 VALCBRKQXRLZPH-UHFFFAOYSA-N 385.389 4.858 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1 84689083 BASNASACFHDNLR-ATZDWAIDSA-N 377.960 4.528 0 40 GJAB CC(=O)N1N=C(c2cccc(Cl)c2)C[C@H]1c1cn(-c2ccccc2)nc1C 89544368 WVPAAJWJXQBXBR-NRFANRHFSA-N 378.863 4.532 0 40 GJAB CC[C@@H]1Oc2cc([C@@H](C)NCc3cc(C)nc4ccccc34)ccc2NC1=O 95985468 QOTPIJQPFQNXHL-VFNWGFHPSA-N 375.472 4.504 0 40 GJAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccc(Br)cc1 106721901 REYWXJBELSVIAV-DHDCSXOGSA-N 392.249 4.825 0 40 GJAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1[C@H](c2ccccc2)CCC[C@H]1C 107075823 KDIWGMNOUXGBKU-DKLXNKCPSA-N 390.527 4.665 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)CC(C)(C)O2 219059791 IREUZYKUQLWCIT-DYVFJYSZSA-N 389.879 4.535 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1cccc(OC(C)C)c1 219329826 NECZVWOAHXXHHM-HSZRJFAPSA-N 383.532 4.997 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222713477 SDFORLPZKVLWCW-BFUOFWGJSA-N 391.920 4.859 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)ccc1Cl 222897031 WLLDZFSPMNDIIX-NSHDSACASA-N 385.942 4.654 0 40 GJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(OC)c(OC)c1 223076611 NOKRHJAFMSLILG-HRAATJIYSA-N 397.515 4.617 0 40 GJAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(C)cc(C)c1 224319217 SGHYIOVKRGJWRK-RTWAWAEBSA-N 376.529 4.697 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccc(C)cc1 225484325 WDDAHAWQRAFXIP-KRWDZBQOSA-N 376.909 4.873 0 40 GJAB O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c3c(cccc13)CC2 226862375 ZFWSKNGCKGKJEB-UHFFFAOYSA-N 388.286 4.502 0 40 GJAB CC(C)(C1CCC(O)CC1)C1CCC(OC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1 255187645 FVGCHUVBRJOKEW-OZFFSNAHSA-N 394.552 4.557 0 40 GJAB CCOc1cc(C(=O)Nc2cccc(O)c2)ccc1OCc1ccc(C)cc1 408554677 SRCISBMUHCYANQ-UHFFFAOYSA-N 377.440 4.931 0 40 GJAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccccc2)cc1 408698438 NWOANVDHCDHELX-UHFFFAOYSA-N 384.439 4.585 0 40 GJAB C[C@H](N[C@H](C)c1nc(-c2ccc(Br)cc2)no1)C1CC(F)(F)C1 529559972 ZPSBEABNQOCNTF-VHSXEESVSA-N 386.240 4.584 0 40 GJAB COc1ccc(C2(c3noc([C@@H]4CCC(F)(F)C4)n3)CCCC2)cc1OC 585084199 IXBVBJTTZSKGOD-CYBMUJFWSA-N 378.419 4.850 0 40 GJAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)NCCn3cncn3)cc2)cc1 588237767 ZPOZWUMTVGHLQW-UHFFFAOYSA-N 393.491 4.580 0 40 GJAB CN1CC2(CCCCc3ccccc3OCCCC1=O)CCN(CC1CC1)CC2 643565325 WQKMNAMDEAWDPX-UHFFFAOYSA-N 398.591 4.523 0 40 GJAB CCN(CC)CCCOC(=O)C(OC(C)C)(c1ccccc1)c1ccccc1 1840919 DUWSOQYQDUYMDE-UHFFFAOYSA-N 383.532 4.630 0 40 GJAB CCCCCCOc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc1 2318385 ZKPWNICJMONBTQ-IBGZPJMESA-N 382.504 4.744 0 40 GJAB CCCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@H](C)C2 2738836 MHUDUEGGINDYGC-ZDUSSCGKSA-N 387.501 4.701 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)c1C 3316622 OSCDRBGZCRTWTL-UHFFFAOYSA-N 390.483 4.826 0 40 GJAB Cc1ccccc1OCCC(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3330576 FLDWQECFKCTAJA-UHFFFAOYSA-N 386.447 4.761 0 40 GJAB O=c1c(Cl)c(Oc2ccc(Br)cc2F)cnn1-c1ccccc1 3393812 DQJDIXFGMSFMAF-UHFFFAOYSA-N 395.615 4.580 0 40 GJAB CCOc1ccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 4072054 VWODCYNPHHQAPP-UHFFFAOYSA-N 383.517 4.657 0 40 GJAB C[C@H](CCC(=O)O)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]21C 4529140 XWJTYEGVQBFZHI-NGZXADQISA-N 390.564 4.542 0 40 GJAB biogenic C/C(=C(/NC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1ccc(C)cc1 4656254 MZTQRXZWLXFQFI-PYCFMQQDSA-N 376.500 4.605 0 40 GJAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1[C@H](CO)Cc1ccccc1 4731425 RVBXGOSYXHFXPE-UQBPGWFLSA-N 396.490 4.625 0 40 GJAB O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCC(Cc2ccccc2)CC1 4745043 OCVZWQBLKZFBAG-HSZRJFAPSA-N 394.534 4.519 0 40 GJAB CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(F)cc3)=NN12 4898822 KYDXLYCZFCDKCN-OAQYLSRUSA-N 379.479 4.571 0 40 GJAB C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccccc1-c1ccccc1 5208901 DHJMUDHZWHCPQY-INIZCTEOSA-N 385.423 4.810 0 40 GJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cc(C)n(C2CC2)c1C 5430326 NVNGNWDSIWGURS-UHFFFAOYSA-N 394.544 4.617 0 40 GJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 5482936 DZWIGNOSHKVYBN-JTQLQIEISA-N 378.762 4.679 0 40 GJAB C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1-c1ccccc1)C(=O)O 5587157 PHFGYRUSSNJJHT-OAHLLOKOSA-N 389.480 4.577 0 40 GJAB O=S(=O)(c1ccc(-c2nc3ccccc3s2)cc1)N1CCc2ccccc21 5875370 ZNHNAHXPXHELNH-UHFFFAOYSA-N 392.505 4.715 0 40 GJAB CC(=O)Oc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1 6022643 HMABYIAGFOJXEX-UHFFFAOYSA-N 399.406 4.581 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 7003005 MIJCTSUAEDIICQ-OAHLLOKOSA-N 387.911 4.778 0 40 GJAB Cc1ccc(-n2nc(C)c(NC(=O)CN3CCC[C@H]3c3cccs3)c2C)cc1 7362735 XSZXRXLCCPBSGC-IBGZPJMESA-N 394.544 4.635 0 40 GJAB CC1CCN(C(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)CC1 7604418 AWSVOMGGYMMRFE-UHFFFAOYSA-N 380.875 4.701 0 40 GJAB CCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OCC 7736589 MAKZTCKUPABDBE-UHFFFAOYSA-N 390.288 4.592 0 40 GJAB CC[C@H](C)n1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O 7779608 IYSZLKMSJWYOPO-AWEZNQCLSA-N 391.496 4.824 0 40 GJAB Cc1n[nH]c(-c2ccc(OCCN3CCC[C@@H](C)C3)cc2O)c1-c1ccccc1 8743969 CVFCZPZOIPRAGY-QGZVFWFLSA-N 391.515 4.868 0 40 GJAB c1ccc(-c2nc(CSc3nnc(NCc4ccco4)s3)cs2)nc1 12481307 NLWJEGRCSWJOAE-UHFFFAOYSA-N 387.515 4.554 0 40 GJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1ccc(F)cc1Cl 12539377 WOPNQEDQADFIOI-UHFFFAOYSA-N 386.732 4.591 0 40 GJAB Cn1c(C[C@@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2)nc2ccccc21 12628683 XSHCVUFCWQHAJV-HXUWFJFHSA-N 389.886 4.941 0 40 GJAB CCOc1ccccc1NC(=O)CN1CCCCC[C@@H]1c1ccc(OC)cc1 12989916 GSYDAPKLYFEQJX-OAQYLSRUSA-N 382.504 4.650 0 40 GJAB Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)nc1 14683575 SWVKWHOHWWUIQG-IBGZPJMESA-N 393.874 4.543 0 40 GJAB N=c1n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2n1Cc1ccccc1 18286259 XLWMPYMNCNRIDQ-UHFFFAOYSA-N 399.538 4.756 0 40 GJAB Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)CC2CCCCC2)c1C 19558128 CMDNTWDCMQVBNB-LJQANCHMSA-N 384.524 4.716 0 40 GJAB COc1ccc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)cc1OC 20411916 ZJNLMVGPODDLQK-UHFFFAOYSA-N 392.386 4.903 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OCC 20460335 WRAXHWCPPNCCKW-KRWDZBQOSA-N 385.504 4.691 0 40 GJAB CCCc1c(-c2ccccc2)nc(Nc2nc(C)c3cc(C)ccc3n2)[nH]c1=O 20634030 DIPNRZUSZRDCQC-UHFFFAOYSA-N 385.471 4.693 0 40 GJAB O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)Nc1cccs1 22767060 GIWCEAPHBJUTHM-GOSISDBHSA-N 383.542 4.731 0 40 GJAB O=c1c2scc(-c3cccc(Cl)c3)c2ncn1CCOc1ccccc1 23126532 CPTOSXSZKYHWFJ-UHFFFAOYSA-N 382.872 4.857 0 40 GJAB CN(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCc2ccccc21 29482266 RAJPOCZSUSJTDR-KRWDZBQOSA-N 382.813 4.917 0 40 GJAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccccc4)cc3)n2)cc1 32578568 IANCUCDOGGEPIQ-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB CC(C)c1ccc([C@H](C)NC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 32802304 QSYSMCNLZMFMDO-UWJYYQICSA-N 376.504 4.693 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](C)SCc1cc(Cl)c2c(c1)OCO2 32854196 AOFQBQVCWLHIPS-LBPRGKRZSA-N 393.892 4.646 0 40 GJAB COc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1OCC(C)C 32999867 AIDPOBZVECOEPE-UHFFFAOYSA-N 383.366 4.881 0 40 GJAB Cc1ccc(-c2noc(CN3C(=O)COc4cc(C(C)(C)C)ccc43)n2)cc1C 38651951 ACDIGELNTWQKKT-UHFFFAOYSA-N 391.471 4.577 0 40 GJAB Cc1ccc(CNC(=O)COc2ccc3ccccc3c2Br)cc1 59210996 JSYFEVQABYHAOY-UHFFFAOYSA-N 384.273 4.606 0 40 GJAB Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 84052950 JEDDPSUJSSURTG-QAPCUYQASA-N 386.448 4.501 0 40 GJAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(Cc2c[nH]c3ccccc23)n1 97001745 XQMDSGKPUMSBAY-KRWDZBQOSA-N 384.480 4.754 0 40 GJAB CCc1ccccc1NC(=S)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423216 CDLIFSLWWPCFIG-NHCUHLMSSA-N 379.573 4.731 0 40 GJAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)[C@H]2C=C[C@H]1CC2 102354742 JMJXZVUNVBQREH-FEBSWUBLSA-N 397.858 4.984 0 40 GJAB COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1OC 102399477 FNSALUZZXNMXHJ-OAQYLSRUSA-N 375.428 4.725 0 40 GJAB Cc1nc(COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cs1 102403144 MJLONQJDHBQCJE-QJRTVWDNSA-N 384.339 4.619 0 40 GJAB CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1NC(C)=O 222590777 QJNVTKIAZBQOAD-UHFFFAOYSA-N 392.546 4.600 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCC1 223938551 JIZHTDQAXGWNBT-CYBMUJFWSA-N 385.335 4.569 0 40 GJAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(OC)c3)c2)cc1 224254756 ZSLZONMYGXJFQO-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB CCC1(CC)C[C@H](NC(=O)CCc2ccc3c(c2)OCCO3)c2ccccc2O1 224337103 JQBWJSFBZDIZHQ-IBGZPJMESA-N 395.499 4.589 0 40 GJAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(Br)cc2)c1 225522880 DIWMJLHIYHNBIY-UHFFFAOYSA-N 379.323 4.723 0 40 GJAB CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225525828 NULROPOLTXZSDK-UHFFFAOYSA-N 386.923 4.731 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)OC)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 408625101 WHGPWRAPZPTTBR-UWEUENHESA-N 391.467 4.556 0 40 GJAB O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cc(O)nc2ccc(F)cc12 606172525 RRXJMUDSPSONFS-JOCHJYFZSA-N 390.389 4.738 0 40 GJAB C[C@@H](CC(=O)NCCc1ccc(Oc2ccc(F)cc2)cc1)c1ccncc1 676987798 GJMVVKYNPQITBE-KRWDZBQOSA-N 378.447 4.866 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775977583 IXOJFPDBROURLQ-QFIPXVFZSA-N 387.504 4.961 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cccc(Br)c2)sc(C)c1C 825439 GWFNKOGAUYQLJI-UHFFFAOYSA-N 382.279 4.556 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC[C@@H](C)C4)cc1 2502140 SCMFUFIYNJICEY-CQSZACIVSA-N 385.485 4.757 0 40 GJAB Cc1ccc(-c2nsc(SCC(=O)Nc3nc4ccccc4s3)n2)cc1 2917478 JGWPWCIDFFSIDM-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1ccc(Cl)cc1F 3231780 VRGQZGUYWWYJBK-UHFFFAOYSA-N 393.817 4.612 0 40 GJAB CSc1ccc(CN(C)CC(=O)Nc2ccc(SC(F)F)cc2)cc1 3335481 YIJVXMMGMGONAY-UHFFFAOYSA-N 382.501 4.794 0 40 GJAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cc1 3498847 RFLQBIWAWPHYCL-OAHLLOKOSA-N 380.517 4.632 0 40 GJAB CC[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2OC)s1 4174664 JCGFGSNMKHOYLA-MRXNPFEDSA-N 385.514 4.723 0 40 GJAB Cc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(F)cc2)c1 4518172 KCQXIHVRWPAWBT-UHFFFAOYSA-N 393.466 4.691 0 40 GJAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc1 4854466 YZZSZSAMDXJORL-FQEVSTJZSA-N 381.863 4.787 0 40 GJAB Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(Cl)c1 5076937 CKDASRCNMSUUMN-UHFFFAOYSA-N 385.707 4.911 0 40 GJAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1cccc(F)c1 5151052 BCKNYLRTWVRYAH-SFLYRZDNSA-N 397.490 4.733 0 40 GJAB COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2Br)c(O)c1 5164816 COYBSBOVKOGNBP-UHFFFAOYSA-N 375.222 4.654 0 40 GJAB COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Br 5278710 BGAAZBFODQYROI-UHFFFAOYSA-N 390.155 4.609 0 40 GJAB Cc1ccccc1-c1nnc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)o1 5505546 HEWXFMNXSOCSHP-LJQANCHMSA-N 393.512 4.891 0 40 GJAB CC1(C)C[C@@]2(c3ccccc3)C[C@H](c3ccccc3)[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)O 5743104 WAFGKPZUKLMZJF-YBZAYSDLSA-N 378.468 4.560 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2cccc(C)c2)cc1OC 6138758 FOOSJUUNMCEKEH-UHFFFAOYSA-N 378.266 4.807 0 40 GJAB COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1Br 6263263 LRNNZIYBYKIRON-UHFFFAOYSA-N 378.266 4.599 0 40 GJAB COc1ccc2cc(CN(C)CC(=O)Nc3c(C)cccc3C)c(Cl)nc2c1 6607813 FTZUQMFIUNNQMD-UHFFFAOYSA-N 397.906 4.584 0 40 GJAB COc1ccccc1CNC(=O)c1cc(Cl)ccc1OCc1ccccc1 7687334 VFEFVUHNLQMKQY-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc4ccccc34)CC2=O)cc1Cl 7881786 MAAVVBWXCFYCJF-INIZCTEOSA-N 378.859 4.793 0 40 GJAB COc1ccccc1O[C@H](C)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 8586767 CPALUPDEWOPEPW-OAHLLOKOSA-N 388.423 4.909 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 9048225 GNZXPUMZOXMWLK-PZJWPPBQSA-N 385.891 4.796 0 40 GJAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 9190835 RLOXUBUCZJNDJW-LBPRGKRZSA-N 395.286 4.538 0 40 GJAB CC(C)[C@@H](NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1)c1cccs1 11223718 KAANKWNMPBJJOS-GOSISDBHSA-N 384.467 4.712 0 40 GJAB CC[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3cccc(C)c3C)cc2C1 12751490 PIMZMMXATHTTBD-INIZCTEOSA-N 384.545 4.591 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 12781928 YGZTUDXISPGRJA-UHFFFAOYSA-N 377.375 4.598 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)COc3cc(Cl)ccc3Cl)o2)cs1 12882805 QPRPVANOCJBYAQ-UHFFFAOYSA-N 397.283 4.714 0 40 GJAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1cc(F)cc(F)c1 12997823 LBHVUICTOHMCQU-IBGZPJMESA-N 390.480 4.674 0 40 GJAB S=C(NNC(=S)Nc1ccc(Oc2ccccc2)cc1)Nc1ccccc1 13892925 KBRWSXPJGJLCLB-UHFFFAOYSA-N 394.525 4.667 0 40 GJAB CC(=O)N1CCC(NCc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 15577777 NHVZPIMGIKBNDA-UHFFFAOYSA-N 392.421 4.598 0 40 GJAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 16740442 BWVFICNHUUZOIT-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1 18238965 ISAOYEAASQVJMF-UHFFFAOYSA-N 391.423 4.901 0 40 GJAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)Cc3csc(C)c3)CC2)C1 19572032 OYCQWLVDICQSJC-UHFFFAOYSA-N 398.572 4.611 0 40 GJAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)CCc1nc2cc(Cl)ccc2n1C 19714219 SKBDRPBEESLZOQ-SFHVURJKSA-N 387.886 4.908 0 40 GJAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccccc1F)C3 20403839 MFVTUYQQEAQPTO-UHFFFAOYSA-N 387.838 4.890 0 40 GJAB Clc1cc(CN[C@@H]2CN3CCC2CC3)cc(Cl)c1OCc1ccccc1 20477471 ZSIQMZORZSPEAG-HXUWFJFHSA-N 391.342 4.756 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccccc1F 22526650 KKQFKIIRNYRDIS-QGZVFWFLSA-N 381.900 4.686 0 40 GJAB Cc1nc(C2(NC(=O)c3sc4cc(F)ccc4c3Cl)CCCCC2)no1 23507804 AUFMGXPOAXXJTL-UHFFFAOYSA-N 393.871 4.975 0 40 GJAB Cc1occc1-c1nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c(=S)n1C 24375280 DLQVIWMAJSHMFJ-UHFFFAOYSA-N 396.438 4.628 0 40 GJAB O=C(CCSc1nnc(NCc2ccco2)s1)Nc1cccc(Cl)c1 24988279 NKVCXRVHDSDYRR-UHFFFAOYSA-N 394.909 4.518 0 40 GJAB Cc1ccc([C@@H](CNC(=O)c2ccc(OCC(C)C)cc2)N2CCCC2)cc1 27793034 OBGIFNRDYRMEID-HSZRJFAPSA-N 380.532 4.597 0 40 GJAB CN(C)c1cccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c1 32610051 RUCKCWRPAXVIIH-UHFFFAOYSA-N 389.286 4.557 0 40 GJAB CCOc1ccc(CN(C)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 32923133 AAZKGZYXLDHPLH-UHFFFAOYSA-N 399.494 4.552 0 40 GJAB C[C@H](C(=O)Nc1ccc(SCc2cccnc2)cc1)n1cnc2ccccc21 46673348 GLPZSXDUJSKTFP-MRXNPFEDSA-N 388.496 4.923 0 40 GJAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)C(F)(F)F)cc3n2)cc1 57316779 QBJKCXHVFUNNDB-UHFFFAOYSA-N 376.382 4.572 0 40 GJAB Cc1c(Br)cc(-c2nc3cc(N)ccc3o2)cc1Br 57326843 NXVMYJLXGRKJRD-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB COc1cccc(-n2nnc(-c3nc(-c4ccc(C)cc4C)cs3)c2C)c1 67341704 JJDRHCGSTNXQAU-UHFFFAOYSA-N 376.485 4.992 0 40 GJAB O=C(COc1ccc(C2SCCCS2)cc1)N1CCC[C@@H]1c1ccc[nH]1 84338988 NCLIARJNBFIFTL-GOSISDBHSA-N 388.558 4.626 0 40 GJAB C[C@@H](CC(=O)N[C@H](C)CC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 84636734 FKGBSCNBVSLEGU-LSDHHAIUSA-N 377.406 4.977 0 40 GJAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(CSCc2ccco2)CC1 90608405 WQERLNHXOXOGHR-UHFFFAOYSA-N 399.434 4.964 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](n2cnc3ccc(Br)cc32)CC1 91302664 KMBWCUNQQLDBEI-CQSZACIVSA-N 394.313 4.761 0 40 GJAB in-vitro Cc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C(=S)Nc2ccccc2)c1 100426868 FDDNAGXVMWNGHX-NHCUHLMSSA-N 393.556 4.507 0 40 GJAB O=C1[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 101464104 BTIQDACSUXCHFU-JFUQEUTASA-N 386.278 4.923 0 40 GJAB O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206880749 JXMLAKMDONMYNL-LJQANCHMSA-N 379.891 4.936 0 40 GJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccccc1F 219039826 WMGCDSMGDBPGSF-INIZCTEOSA-N 383.488 4.796 0 40 GJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1 223408399 AWIQPHNEARYMTO-PMACEKPBSA-N 395.553 4.633 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1ccc(C)c(Cl)c1 224184402 FUKPCRICTPNLEQ-LJQANCHMSA-N 396.314 4.963 0 40 GJAB CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 224710874 LYAOHPNXFSVFTO-UHFFFAOYSA-N 388.714 4.626 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C(C)C 224886108 IRHABFBZTZVIPM-UHFFFAOYSA-N 389.395 4.518 0 40 GJAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c(C)c1 225478576 JLKQQKFXCBIUNU-KRWDZBQOSA-N 381.545 4.786 0 40 GJAB Cc1ccccc1COc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 226298626 FBRZLPRVAIPEEO-UHFFFAOYSA-N 390.390 4.759 0 40 GJAB O=C(c1cccnc1)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257265679 LZVDCLJXSSHZBZ-IBGZPJMESA-N 381.863 4.681 0 40 GJAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 409235830 CEAWBZXIXMFFFG-PXLXIMEGSA-N 386.451 4.722 0 40 GJAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)c1 506972934 SWJCDNVYOWBCJO-UHFFFAOYSA-N 389.455 4.589 0 40 GJAB O=C(NC[C@@H]1CCCN([C@H]2CCCc3ccccc32)C1)Nc1cccc(F)c1 1167937019 QEAWQNHTGRGNCO-JTSKRJEESA-N 381.495 4.737 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CCCCC2 671423 MMYXISBEZHIFBM-UHFFFAOYSA-N 392.908 4.883 0 40 GJAB S=C(Nc1ccccc1)Nc1nc2ccccc2n1CCOc1ccccc1 1000421 OWHJVIQZUFQZJS-UHFFFAOYSA-N 388.496 4.924 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)c1 1363757 MPZICWVNBHGIPO-KRWDZBQOSA-N 381.863 4.718 0 40 GJAB COc1cccc(CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)c1 2347664 TZMSBQHJHNIGFD-UHFFFAOYSA-N 388.496 4.939 0 40 GJAB C[C@@H](SC1=NCCN1S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 2711478 NOXUAPNIHXMEEW-MRXNPFEDSA-N 396.537 4.695 0 40 GJAB O=C(CCCOC(=O)c1ccc2ccccc2n1)c1ccc(Br)cc1 3266600 WAJDHKVVPASMHO-UHFFFAOYSA-N 398.256 4.817 0 40 GJAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)NC1CCCCCC1 3269288 GTGUXOMWYJJTGK-GHRIWEEISA-N 389.542 4.732 0 40 GJAB O=C(Nc1nnc(C2CC2)s1)c1cn(-c2ccccc2)nc1-c1ccccc1 3364236 WWMGYKOQNHTTFX-UHFFFAOYSA-N 387.468 4.521 0 40 GJAB Clc1ccc(-c2nnn(-c3nc(-c4cccs4)nc4ccccc34)n2)cc1 3437644 NMSBJXGXOKLZEX-UHFFFAOYSA-N 390.859 4.654 0 40 GJAB COc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c1 3446501 DBCNXVGCGILSNC-UHFFFAOYSA-N 388.492 4.746 0 40 GJAB CCCCOc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1 4166974 STDNBKHUJITDBG-UHFFFAOYSA-N 380.513 4.962 0 40 GJAB COc1cccc(NC(=S)N(CCc2nc3ccccc3[nH]2)C2CCCC2)c1 4858973 HHKSDCWRGUQOJG-UHFFFAOYSA-N 394.544 4.756 0 40 GJAB CCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1 5163437 MYQGRZNGONFWMX-UHFFFAOYSA-N 378.350 4.875 0 40 GJAB Cc1ccc(OCCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)cc1 5235881 AOYRBMOQEOJNKK-UHFFFAOYSA-N 393.531 4.519 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(=O)[nH]1 5237992 MFBLGWGSPHFVCC-CYBMUJFWSA-N 399.903 4.518 0 40 GJAB CC(C)(c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 5632673 DEWXRCRCTHMYAO-MXXWWZHRSA-N 393.486 4.814 0 40 GJAB CC[C@H](C)n1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 5876029 IDVXNGWYTGYUCU-SLDJAQPHSA-N 391.446 4.844 0 40 GJAB O=C(NC1CCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 6112670 QIGXKMYHBJSPOH-UHFFFAOYSA-N 399.450 4.784 0 40 GJAB biogenic COc1ccc2nc(NC(=O)Cc3coc4cc5c(cc34)CCC5)sc2c1 6583241 FNHKPCXYOQYMTB-UHFFFAOYSA-N 378.453 4.721 0 40 GJAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccccc1Cl 6595636 TTWOFOXIDIIKOE-LICLKQGHSA-N 389.860 4.642 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc3ccccn23)c2ccccc2)c1 6903599 PWWGMAVRCYTWJJ-HXUWFJFHSA-N 388.496 4.818 0 40 GJAB Cc1nnc(S/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)O)o1 7365697 IGLHPLSUYWRXIF-YVLHZVERSA-N 383.473 4.620 0 40 GJAB CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 7758379 YLIKTQYKWGYYJT-QFIPXVFZSA-N 391.423 4.656 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)OCC(=O)c2cccc3ccccc23)cc1 7783973 IHWUXEGGWKZNRR-UHFFFAOYSA-N 376.452 4.942 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-c2ccc(F)cc2)s1 8073984 JPNBNZIOOMYBEX-QGZVFWFLSA-N 384.476 4.714 0 40 GJAB O=C(Nc1nc2c(s1)CCCC2)c1cc(-c2cccnc2)nc2ccccc12 8132008 YCBDQTRQGBNKGN-UHFFFAOYSA-N 386.480 4.884 0 40 GJAB COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4ccc(F)cc4)C3)c2C)cc1 8636094 JPIHKKVXRDWSMA-TZIWHRDSSA-N 391.490 4.839 0 40 GJAB biogenic,in-vitro Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Sc2nccn2C)cc1 8704408 ASROFARIZCESSG-UHFFFAOYSA-N 390.468 4.787 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc(Cl)cc1Cl 9154338 ORCRCXJJAPDHJY-INIZCTEOSA-N 382.291 4.935 0 40 GJAB COc1cc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)ccc1OC(C)C 9173182 BFUGQUOFYPCISH-UHFFFAOYSA-N 396.439 4.563 0 40 GJAB Cc1cc2oc(=O)cc(COc3ncnc4sc(C)c(C)c34)c2cc1Cl 9550183 GLMNWDHFYTYPHS-UHFFFAOYSA-N 386.860 4.955 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCc2c(F)c(F)c(F)c(F)c2F)cc1 10132612 ZTFNKKRAIFEDFI-UHFFFAOYSA-N 385.361 4.872 0 40 GJAB CC(C)COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1 12507713 DZMCLQCQZSTHOF-HXUWFJFHSA-N 397.906 4.628 0 40 GJAB CCCCc1ccc(NC(=O)[C@@H](C)n2c(=S)[nH]c3ccccc3c2=O)cc1 12814056 LENGNWWIGPZXSY-CQSZACIVSA-N 381.501 4.601 0 40 GJAB Cc1cccc(N2CCN(C(=O)/C=C/c3c(Cl)cccc3Cl)CC2)c1 16281344 POTGZCHURSQETE-CMDGGOBGSA-N 375.299 4.664 0 40 GJAB CC(C)CC(=O)Nc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 16331444 BJUJSEHOCMBFDW-UHFFFAOYSA-N 390.512 4.893 0 40 GJAB CCCC(=O)N1CCC[C@H](c2cc(Oc3ccc(NC(C)=O)cc3)cc(C)n2)C1 19501285 LVTZALZLMKJLNX-SFHVURJKSA-N 395.503 4.647 0 40 GJAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc3c(c2)OCCO3)s1 19819591 CSHYPJPWRFZQIU-UHFFFAOYSA-N 386.498 4.523 0 40 GJAB Cc1ccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1C 19927980 MGPQQXSVWUJHAM-UHFFFAOYSA-N 394.456 4.608 0 40 GJAB Fc1ccc(-c2nnc(CSc3nnc(-c4ccccc4Cl)o3)o2)cc1 19928113 GJLPLLRZVBQJSJ-UHFFFAOYSA-N 388.811 4.871 0 40 GJAB COc1ccc(S[C@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1OC 20108529 SYERSCNBLQDYFS-CQSZACIVSA-N 393.936 4.587 0 40 GJAB Cc1cccc(C)c1NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20241735 KTEGUXLYISONFY-UHFFFAOYSA-N 399.538 4.878 0 40 GJAB Cc1ccccc1C(=O)Oc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 20418437 SENBAKKHVIVMAG-RCCKNPSSSA-N 383.403 4.559 0 40 GJAB CC(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)s1 21617880 MPCPPUFRWXJUKI-UHFFFAOYSA-N 376.890 4.904 0 40 GJAB Cc1cc(NC(=O)Cc2csc(-c3ccsc3)n2)n(Cc2ccccc2)n1 24757095 TYXOTVBNKGLFJF-UHFFFAOYSA-N 394.525 4.606 0 40 GJAB Cc1ccn(C(=O)c2csc(-c3ccsc3)n2)/c(=N/C2CCCCC2)c1 26492307 KAEMZXAIFORIHQ-DYTRJAOYSA-N 383.542 4.903 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1cnn(Cc2cccc3ccccc23)c1 28220906 GISSHWSYBKMROK-UHFFFAOYSA-N 391.858 4.999 0 40 GJAB O[C@@H](CN1CCc2ccccc2C1)Cn1c2c(c3cccc(Cl)c31)CCCC2 28296807 QKFZOMGHFZCHBG-IBGZPJMESA-N 394.946 4.593 0 40 GJAB Cc1cc2nc(C3CCN(C(=S)Nc4ccc(F)cc4)CC3)[nH]c2cc1C 35311823 NZMQNTQLHHPPDG-UHFFFAOYSA-N 382.508 4.895 0 40 GJAB CCN(CC)C(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 36316647 HCOIKXPPYLDMOF-UHFFFAOYSA-N 388.895 4.618 0 40 GJAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nccn2-c2cccc(C)c2)c1C 36781859 NJXHJRDQKLQELQ-KRWDZBQOSA-N 397.544 4.781 0 40 GJAB C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)c1nc(C(C)(C)C)no1 40057287 SAOUPCLHZCTVFN-SNVBAGLBSA-N 394.884 4.836 0 40 GJAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)c1 59351435 NITHZDTVSVULEP-ZDUSSCGKSA-N 396.712 4.976 0 40 GJAB CCc1ccc(-c2nc(CSc3nc(-c4cccnc4)n[nH]3)cs2)cc1 60531101 ZSZAQLINZRTKAM-UHFFFAOYSA-N 379.514 4.845 0 40 GJAB CC[C@H](C)Nc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213576 NQDYRELIMKYKSL-FXAWDEMLSA-N 387.549 4.516 0 40 GJAB Cc1ccc([C@H](C)C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)s1 72311321 JCJQNTHVGFOVGU-HNNXBMFYSA-N 396.487 4.868 0 40 GJAB CN(CC(=O)Nc1cccc(OC(F)F)c1)c1nc2c(Cl)cccc2s1 77196778 XEAYIJLJVLBXMA-UHFFFAOYSA-N 397.834 4.626 0 40 GJAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCCSC[C@@H]1CN1CCCC1 90609014 PMVFUCSSHRLUPW-FQEVSTJZSA-N 396.556 4.522 0 40 GJAB OC1=Nc2c(cnn2Cc2ccccc2Cl)[C@@H](c2cccc(O)c2)SC1 95472172 DNRXBBZVJCOBRL-GOSISDBHSA-N 385.876 4.715 0 40 GJAB O=C(O)c1ccc([C@H]2SCC(O)=Nc3c2cnn3-c2ccc(Cl)cc2)cc1 95477583 WPUFPFGQMHNNGC-QGZVFWFLSA-N 399.859 4.648 0 40 GJAB CC(C)(C)[C@@H]1CC(c2cccc(Br)c2)=NN1C(=O)c1ccco1 97105846 JOBIFBCFGGNNQO-INIZCTEOSA-N 375.266 4.707 0 40 GJAB COc1ccccc1CC1CCN(C(=O)Nc2ccc3nc(C)oc3c2)CC1 102527323 UAJHTILQTMKSRY-UHFFFAOYSA-N 379.460 4.631 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc2ccccc2cc1OC 219394175 CSXSIDNKAFSUTQ-HXUWFJFHSA-N 391.467 4.889 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219600837 PGFUZZHBBKAGDA-GOSISDBHSA-N 399.878 4.514 0 40 GJAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cn2c3c(cccc3c1=O)CC2 223092693 VUOSSODEWJHWOF-UHFFFAOYSA-N 393.657 4.770 0 40 GJAB O=C(c1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1)N1CCCCC1 225462404 FGLPSCUDQGEDMX-NRFANRHFSA-N 393.556 4.677 0 40 GJAB COc1cccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3Cl)n2)c1 225823111 IZROQNGPBCIXRZ-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB COc1ccc(C2(NC(=S)Nc3c(F)cccc3F)CCCC2)cc1OC 225860211 VLXADQVUGSAIHY-UHFFFAOYSA-N 392.471 4.738 0 40 GJAB Cc1cc(N(C)C(=O)C(F)(F)F)ccc1NC(=O)c1cc2ccccc2o1 226285842 JFAUXZYPDMFZDL-UHFFFAOYSA-N 376.334 4.519 0 40 GJAB Cc1cc(-c2nc3cc(Br)cc(Br)c3[nH]2)ccc1N 226343692 FITPKNOYOUTVMM-UHFFFAOYSA-N 381.071 4.646 0 40 GJAB CCn1c2c(s/c1=N\C(=O)c1cc(Cl)ccc1OC)CCc1ccccc1-2 408561201 HDEWTEAYUCXSSA-LNVKXUELSA-N 398.915 4.738 0 40 GJAB Cc1ccc(CSCCNC(=O)CCCOc2ccc(Cl)cc2)cc1 408706470 XYPPGAUQPPDTJA-UHFFFAOYSA-N 377.937 4.857 0 40 GJAB CCCCOC(=O)[C@H]1[C@@H](C(=O)O)[C@@H](c2ccccc2)C=C[C@H]1c1ccccc1 408731859 NNJGESMIHPDOFF-CLAROIROSA-N 378.468 4.784 0 40 GJAB CCCCCC1=NN(C(=O)c2ccc(Cl)c(C)c2)[C@@](O)(C(F)(F)F)C1 409179450 NXISAGYUTNQBGU-INIZCTEOSA-N 376.806 4.682 0 40 GJAB O=Cc1ccc(-c2ccc(C(=O)OCc3ccc(Br)cc3)cc2)o1 409181608 DEWXTCMFMONZOC-UHFFFAOYSA-N 385.213 4.879 0 40 GJAB Cc1csc(Nc2ccc(NC(=O)[C@@H](C)N3CCc4ccccc4C3)cc2)n1 605512392 NQNHKNVLWFKFDW-MRXNPFEDSA-N 392.528 4.580 0 40 GJAB COc1ccc(C(=O)Nc2cc(C)c(NC(=O)c3ccccc3)cc2OC)cc1 732498 BNJGZSFLADNWKX-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB CCOc1ccc2cc3c(N)c(C(=O)Nc4cccc(F)c4)sc3nc2c1 891612 LELIMRZMSAUXES-UHFFFAOYSA-N 381.432 4.822 0 40 GJAB CCOc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1 1369131 PNZPGFYCLJMZHY-ROUUACIJSA-N 399.560 4.854 0 40 GJAB O=C(Nc1cccc(Cl)c1)OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 1388012 NSIXMFWDUIJSJZ-UHFFFAOYSA-N 397.649 4.976 0 40 GJAB O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)c1ccccc1 2452097 TUKKKTJABCKGBI-UHFFFAOYSA-N 393.443 4.701 0 40 GJAB CC[C@H](C)[C@@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O 2604894 SGYQTZNDBKRINT-SUMWQHHRSA-N 375.428 4.954 0 40 GJAB O=C(Cc1cccs1)OCC(=O)N1c2ccccc2Sc2ccccc21 3233177 HQAWEQUEELNPOI-UHFFFAOYSA-N 381.478 4.663 0 40 GJAB COc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccs3)sc2c1 4273166 ICCJGDUBCYYTTD-UHFFFAOYSA-N 381.482 4.608 0 40 GJAB Cc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccccc2C)cc1 4518183 QXSVUTUGNYGKBN-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB O=C(CCSc1ccc(Cl)cc1)Nc1nnc(Cc2ccccc2)s1 4777222 YVJZJYXMHDVYJD-UHFFFAOYSA-N 389.933 4.903 0 40 GJAB CCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccc3)c(CC)s2)cc1 4783468 RYVSOPICUHTRKA-UHFFFAOYSA-N 379.485 4.973 0 40 GJAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N[C@H]1CCCc2ccccc21 4987418 PKTIOBGIXAJGFU-UGSOOPFHSA-N 397.475 4.550 0 40 GJAB CCSc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 5240759 ZGCJGKWCADMBEG-UHFFFAOYSA-N 375.515 4.778 0 40 GJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(C)cc2)cc1 5256426 ZPFURBWJURIMNR-JOCHJYFZSA-N 375.472 4.832 0 40 GJAB Cc1cccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)cnn23)c1 5561704 KOJWBWRBESWBFD-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB Cc1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1 5900077 IQHATTHIQAUVKZ-UHFFFAOYSA-N 386.499 4.932 0 40 GJAB Cc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 6759373 HKGFYEXNNFEUQS-GDBMZVCRSA-N 390.365 4.697 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)c2ccc(C)cc2)cc1OCCC 6811497 XOEOBNMFSIMKHF-UHFFFAOYSA-N 395.459 4.875 0 40 GJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1 6933456 XSDMQIJGGNKULN-DEOSSOPVSA-N 395.462 4.660 0 40 GJAB COc1ccc2cc(CN(C)C(=O)c3ccccc3Br)ccc2c1 7742294 ZKFOPQCXKRKWKU-UHFFFAOYSA-N 384.273 4.883 0 40 GJAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccs1 7988149 XBGCWWUUGKLRIW-MRXNPFEDSA-N 388.496 4.546 0 40 GJAB CC(=O)Nc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(F)c1 8042092 BJHLAOJKXCRNSG-UHFFFAOYSA-N 395.459 4.923 0 40 GJAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2cc(C)ccc2C)cc1 8476701 MGFYBQNFMZORSQ-UHFFFAOYSA-N 396.494 4.790 0 40 GJAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(C)cc2)CC1=O 8844971 MVVBDGKYFZJCOV-LJQANCHMSA-N 391.515 4.540 0 40 GJAB Fc1cccc(-c2nnc3sc(-c4ccc(F)c(Br)c4)nn23)c1 9048188 AJYVPEOZQPMMDV-UHFFFAOYSA-N 393.216 4.561 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1 9218659 WVZQDDGJPKQLJJ-UHFFFAOYSA-N 389.451 4.967 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3c(C)cccc3C)cs2)cc1 9625386 VCQFLSASSQLPEA-UHFFFAOYSA-N 394.500 4.894 0 40 GJAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccnc1 10002543 YZZXEWSOAHAYAX-UHFFFAOYSA-N 379.423 4.529 0 40 GJAB NC(=O)[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccccc1 10206062 GTXASLZKKPVBJX-ZDUSSCGKSA-N 393.946 4.635 0 40 GJAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1)c1cccs1 12262084 GSWLEEBYBWPRAF-INIZCTEOSA-N 399.541 4.694 0 40 GJAB CCOC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccc(Cl)cc1 12589373 HDMYCUJOLSJZIK-UHFFFAOYSA-N 392.846 4.621 0 40 GJAB O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1c(Cl)cccc1Cl 12767655 GQHLLPBLLGSSBQ-UHFFFAOYSA-N 391.298 4.817 0 40 GJAB CCOc1c(Cl)cc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1OC 12777256 CPSLUDIOYFUALU-UHFFFAOYSA-N 392.864 4.618 0 40 GJAB Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 12891590 PQHHTYXCIIFRGJ-UHFFFAOYSA-N 393.424 4.809 0 40 GJAB Cc1cccc(-c2nc(CC(=O)N(Cc3ccc(F)cc3)C3CC3)cs2)c1 14141791 XQCHWHGJRTYREN-UHFFFAOYSA-N 380.488 4.991 0 40 GJAB CCn1ncc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)c1C 19523954 WEWUPYBJMYUQJG-JOCHJYFZSA-N 394.519 4.992 0 40 GJAB c1ccc(Cc2ccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)nc2)cc1 19692293 GRRFRYKWNJRGPK-AREMUKBSSA-N 395.506 4.794 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Br)c(C)c1 20456605 QGTIGINVHREZRJ-KRWDZBQOSA-N 378.266 4.562 0 40 GJAB Cc1cccc(-c2n[nH]c(SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)n2)c1 21098788 NIOGEEDIKCELBL-UHFFFAOYSA-N 376.485 4.531 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@@H](C)c3ccccc3)c12 21960678 QLQZVZXIHCRQQK-ZDUSSCGKSA-N 375.403 4.828 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@H]4CCCC[C@@H]4C3)n2)cc1 22409314 YMAGGINJSWLMBN-UYAOXDASSA-N 381.520 4.831 0 40 GJAB CC[C@@H](CNC(=O)c1ccc(SCc2nc(C)no2)cc1)c1ccccc1 23007365 MZEBGCPQJFQLDA-INIZCTEOSA-N 381.501 4.594 0 40 GJAB O=C(c1ccc(F)c(F)c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 25130446 WPIUAAAUYJESGU-UHFFFAOYSA-N 387.407 4.645 0 40 GJAB Cc1ccc(SCc2nnc(C(=O)NCc3ccc(F)cc3)s2)c(C)c1 26034511 ZETPNQIPXWFARM-UHFFFAOYSA-N 387.505 4.516 0 40 GJAB COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccs3)s2)cc1 28186012 XSDBVPILQQGMFC-LCYFTJDESA-N 377.878 4.597 0 40 GJAB COC(=O)c1ccc(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)o1 28851895 HMWGUIZEZYARQC-UHFFFAOYSA-N 398.918 4.989 0 40 GJAB Cc1cnc2c(S(=O)(=O)N(C)Cc3ccc(Cl)c(Cl)c3)cccc2c1 29321546 VUJCADDRAQDKQC-UHFFFAOYSA-N 395.311 4.671 0 40 GJAB O=C(Nc1ccccc1Oc1ccccc1)c1cccc(CN2CCOCC2)c1 30758732 WYJLLBWJDPABSB-UHFFFAOYSA-N 388.467 4.563 0 40 GJAB COc1cccc(CO[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 31697036 FJFNOWLXEIVDJJ-CHWSQXEVSA-N 382.287 4.785 0 40 GJAB C[C@@H](Sc1ncnc2ccsc12)C(=O)c1ccc(Br)cc1 32850644 OQEPLMSYFJGQEY-SECBINFHSA-N 379.304 4.817 0 40 GJAB O=C(CCc1cccc(Cl)c1Cl)NCCCc1nc2ccccc2[nH]1 32924476 INTBQVNBGNCYKZ-UHFFFAOYSA-N 376.287 4.551 0 40 GJAB Cc1ccc2nc(COCC(=O)Nc3cc(Cl)c4oc(C)cc4c3)[nH]c2c1 35316928 SEEHICBQCKWOAI-UHFFFAOYSA-N 383.835 4.735 0 40 GJAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(F)cc1F 41078100 NYGBQLSAWUIOIL-UHFFFAOYSA-N 399.441 4.867 0 40 GJAB Cc1cnc2c(S(=O)(=O)N3CC[C@@H](C)Sc4ccccc43)cccc2c1 48324502 CFCRAYFREVCEOP-OAHLLOKOSA-N 384.526 4.623 0 40 GJAB Cc1csc(COc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)n1 56907699 IFPQXDITGNMURC-INIZCTEOSA-N 380.513 4.782 0 40 GJAB O=C(NCc1cccnc1OC1CCCC1)c1[nH]c2ccc(F)cc2c1Cl 58414098 XGVJCIWWYSLMIS-UHFFFAOYSA-N 387.842 4.607 0 40 GJAB CN(C)C1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 63735326 PPTCLMBCKPAHIG-UHFFFAOYSA-N 376.422 4.539 0 40 GJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 72216073 OMVGDSBUQAIBBP-NRFANRHFSA-N 379.504 4.936 0 40 GJAB Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccc(-c4ccccc4F)o3)C[C@H]21 72392525 PTMDSZULALRAOX-IQOKHDRSSA-N 392.474 4.519 0 40 GJAB Cc1nc(CNC(=O)[C@H](C)Oc2cccc(F)c2)oc1-c1ccc(Cl)cc1 79074014 PWDPJXJHQUUYMY-ZDUSSCGKSA-N 388.826 4.526 0 40 GJAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCO)cc1 85430361 CQDBXRTYBMEXEZ-XMMPIXPASA-N 382.463 4.681 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc23)o1 96052672 ASKIBQGGIYBFLA-HXUWFJFHSA-N 392.543 4.525 0 40 GJAB Cc1cccc(C)c1NC(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2 100426397 BDINZIPLHOMKDR-SFTDATJTSA-N 391.515 4.651 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)C[C@H](c2ccc(F)cc2)C1 102565947 DPQQUCSFXSWGNQ-FKIZINRSSA-N 396.372 4.761 0 40 GJAB C[C@@H](NC(=O)c1cc(Br)ccc1OC(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 103152828 NCROOAVJCNIGNZ-BLFANLJRSA-N 388.252 4.605 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1OC 216278953 XYIAAWOSLXETEM-GOSISDBHSA-N 389.495 4.980 0 40 GJAB O=C(c1ccc(F)c(F)c1F)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219329446 GQMPJTBAMSDJJM-OAHLLOKOSA-N 387.373 4.703 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1OCC 222848510 RBACJLIMVZYFIC-OAHLLOKOSA-N 391.895 4.530 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SCC(C)C)s1 224107051 QYFJITHDOTYMNW-CYBMUJFWSA-N 385.942 4.736 0 40 GJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 224199561 CFGOGAKVMIRLCA-RTWAWAEBSA-N 376.529 4.522 0 40 GJAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)s1 224554276 SZYFWXBCTWZUIN-OALUTQOASA-N 381.526 4.637 0 40 GJAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)C1 224921933 YSLCALKXZBEOBL-LJQANCHMSA-N 377.532 4.771 0 40 GJAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2cccs2)c(Cl)c1 226285408 YBEGYYHZINNWET-UHFFFAOYSA-N 376.787 4.569 0 40 GJAB CCOc1cc(NC(=O)c2cc3ccccc3cc2OC)cc2sc(N)nc12 226314184 RVZYDZPKARIZTI-UHFFFAOYSA-N 393.468 4.691 0 40 GJAB COc1ccccc1NC(=O)COc1ccc(CNc2ccccc2)cc1Cl 408559298 ZCKDXUKMAJZXOW-UHFFFAOYSA-N 396.874 4.978 0 40 GJAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(F)cc2)o1 408796931 FDQLSRZODMVGLM-UHFFFAOYSA-N 383.399 4.988 0 40 GJAB COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)c(Cl)c1Cl 409131563 WATZYZNFHTWISH-UHFFFAOYSA-N 382.268 4.956 0 40 GJAB CCOc1ccc(NC(=O)NC[C@@H](c2csc3ccccc23)N(C)C)cc1 575618763 CIXUYRFRFVIZAA-IBGZPJMESA-N 383.517 4.724 0 40 GJAB Cc1ccc(CN2C(=O)CC[C@]23CCCN(Cc2sc(C)nc2C)CC3)cc1 585100735 UYFFINDMWBNBDM-QHCPKHFHSA-N 397.588 4.616 0 40 GJAB O=C(Nc1nc([C@@H]2CCCN2Cc2ccccn2)cs1)c1cccc(Cl)c1 585295318 URQWRVUVBYQTAU-SFHVURJKSA-N 398.919 4.781 0 40 GJAB Cn1nc2c(c1-c1nc(CCCOc3cccc4ccccc34)no1)CCCC2 680739902 HUORLMAEZKMWQR-UHFFFAOYSA-N 388.471 4.514 0 40 GJAB C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@H]2CC[C@@H](Nc3ccccn3)CC2)C1 1544753089 ZOUNOJLIETYYOF-PZBISTMVSA-N 381.495 4.801 0 40 GJAB Fc1cccc(-c2cc3nc(-c4ccccc4)cc(NC[C@H]4CCCO4)n3n2)c1 1341375 ROVQSTLNMRGISN-LJQANCHMSA-N 388.446 4.793 0 40 GJAB COc1c(Cl)ccc(Cl)c1C(=O)NC(=S)Nc1ccc(Cl)cc1 1443793 JPIFLSNFONGSRB-UHFFFAOYSA-N 389.691 4.782 0 40 GJAB COc1ccc(-c2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 1448169 HSPMQNZGMWLJBG-UHFFFAOYSA-N 390.366 4.827 0 40 GJAB biogenic Cc1ccc2ccccc2c1CSc1nc(N)nc2c1ncn2CC(C)C 1687414 KUIRJFQCMORRRL-UHFFFAOYSA-N 377.517 4.818 0 40 GJAB in-vitro O=C(NCC1(c2ccccc2)CCOCC1)C(c1ccccc1)c1ccccc1 2315984 PXXFZEDLWCZMRW-UHFFFAOYSA-N 385.507 4.683 0 40 GJAB COc1ccc(OC)c2sc(NC(=O)c3cc(Cl)sc3Cl)nc12 2723963 MWZVFOFWBQWZOM-UHFFFAOYSA-N 389.285 4.934 0 40 GJAB CCCCN(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(C)cc1 3276780 FCSYXBYCCWBYSU-UHFFFAOYSA-N 389.908 4.587 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](Nc2ccc3c(c2)OCCO3)c2ccccc2)c1 3342748 MALGSZKJTPEQTD-HSZRJFAPSA-N 388.467 4.867 0 40 GJAB Cc1cccc(C)c1Nc1nnc(SCC(=O)N(C)C2CCCCC2)s1 3343330 VLXBJXZMEZUHCJ-UHFFFAOYSA-N 390.578 4.782 0 40 GJAB COc1ccccc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 4119276 RJEMROHJALDBQS-UHFFFAOYSA-N 394.283 4.697 0 40 GJAB CC(C)OC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C(C)(C)C)C3 4213739 QMSOAHLWRIEGBC-GFCCVEGCSA-N 378.563 4.886 0 40 GJAB O=C(CN(C1=NCCCS1)c1ccc(Br)cc1)c1cccs1 4615151 DEJXVCXKEAGOAG-UHFFFAOYSA-N 395.347 4.693 0 40 GJAB C[C@H]1CCCC[C@H]1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 5053572 COGHPZMQUJHMAS-YIKIYTBXSA-N 375.944 4.813 0 40 GJAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)CC(C)C)ccc3o2)cc1 6242700 AXQKGDQAQVWMDZ-UHFFFAOYSA-N 397.500 4.753 0 40 GJAB CCCOc1cccc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)c1 6324708 VVZMCPUKMJIYNG-UHFFFAOYSA-N 376.865 4.999 0 40 GJAB Cc1ccc(C=C(C(=O)NC2CCCCC2)C(=O)NC2CCCCC2)c(C)c1 6507873 QTFFXISEKDMPJQ-UHFFFAOYSA-N 382.548 4.585 0 40 GJAB COC(=O)c1ccc(COC(=O)c2oc3ccccc3c2COC(C)C)cc1 6598685 BDETZQQMERXIHZ-UHFFFAOYSA-N 382.412 4.501 0 40 GJAB Cc1n[nH]c2c1[C@H](c1ccc(OCc3cccc(F)c3)cc1)S[C@H](C)C(=O)N2 6678724 QGPVDZRWYFKJHP-YJYMSZOUSA-N 397.475 4.599 0 40 GJAB Cc1ccc(C2=N/C(=C\c3cccc(Br)c3)C(=O)O2)cc1Cl 6866177 JZXFROIERHQFCW-NVNXTCNLSA-N 376.637 4.755 0 40 GJAB Cc1cccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)c1 6867074 UJNICFYJMYUJLA-UHFFFAOYSA-N 392.405 4.934 0 40 GJAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3ccc(SC)cc3)nc2c1 6908244 ROBDNVOZOKKUQF-DHDCSXOGSA-N 386.860 4.581 0 40 GJAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C 6966767 FZFKCSPLZMQXEO-DEDYPNTBSA-N 391.858 4.845 0 40 GJAB Cc1nc(COc2ccccc2C(=O)N[C@@H]2CCCc3ccccc32)cs1 8327854 KUVYRSMBBKKQNR-HXUWFJFHSA-N 378.497 4.838 0 40 GJAB C[C@@H](NC(=O)C[C@](C)(C(=O)O)c1ccccc1)c1ccc(Cl)c(Cl)c1 8392447 GSPMYUAIXNAZLL-BLVKFPJESA-N 380.271 4.603 0 40 GJAB Cc1ccc(Cl)cc1-n1nc(C(=O)NC2CCCCC2)nc1-c1ccccc1 8476765 NKOBJBZRZSAWDV-UHFFFAOYSA-N 394.906 4.959 0 40 GJAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)C(C)C)ccc3c2C)c1 9047208 NSHOICATFJQQPD-UHFFFAOYSA-N 381.428 4.584 0 40 GJAB biogenic CSc1ccc(Cl)c(C(=O)NCc2ccccc2CN2CCCCC2)c1 10281696 MXTWVYZUCZHIOC-UHFFFAOYSA-N 388.964 4.978 0 40 GJAB COc1ccccc1CN(C)C(=O)c1sc(COc2ccc(C)cc2)nc1C 12756681 BZDTTWIRPMDNLK-UHFFFAOYSA-N 396.512 4.620 0 40 GJAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1cnccn1 12785685 RDFOOZVVDUNDLN-UHFFFAOYSA-N 392.509 4.946 0 40 GJAB CCC(C)(C)NCC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC 12808565 FKSLCJDCSSIANL-UHFFFAOYSA-N 394.924 4.572 0 40 GJAB COC(=O)c1cc(NC(=O)/C=C/c2cccc(Cl)c2Cl)c(F)cc1F 12855269 VMLLGBMLSMURSL-AATRIKPKSA-N 386.181 4.710 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)NCCc3cccc4cccnc34)o2)cc1C 12898144 QQVQAOYPAULOET-UHFFFAOYSA-N 399.494 4.798 0 40 GJAB CCCCc1ccc(-n2c([C@H]3C[C@H]3C)nc3cc(OC)c(OC)cc3c2=O)cc1 12950262 XNAKTJWPYDUPDP-QAPCUYQASA-N 392.499 4.869 0 40 GJAB CC(C)c1ccc(NC(=O)CCCn2nc(-c3cccs3)ccc2=O)cc1 13698587 TWNZOXUBJAJWOB-UHFFFAOYSA-N 381.501 4.514 0 40 GJAB O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(C2CCCCC2)cc1 15518689 ZTEMDRUHVJWRFG-UHFFFAOYSA-N 379.409 4.549 0 40 GJAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccc(F)cc1)CO3 20411921 FQDJGCDOOKZECA-UHFFFAOYSA-N 387.410 4.951 0 40 GJAB CC(C)c1ccc(-n2nc3ccc(NC(=O)COc4ccccc4)cc3n2)cc1 20610651 JUAMQAXLDSEPIL-UHFFFAOYSA-N 386.455 4.561 0 40 GJAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccccc1C 21787421 MHWPKOQYBYVZNO-JOCHJYFZSA-N 391.515 4.887 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(OC)cc1 22514988 XOAXOJLBQAPWBT-JOCHJYFZSA-N 377.484 4.755 0 40 GJAB OC[C@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c12)Cc1ccco1 24205957 CVFSTMALWUKXCD-ZDUSSCGKSA-N 399.903 4.868 0 40 GJAB NC(=O)[C@@H](Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccccc1 28370394 GUOXSMJTMKPAGC-FQEVSTJZSA-N 384.838 4.697 0 40 GJAB COc1ccc(CSCCC(=O)Nc2cc(Cl)ccc2OC)cc1F 32778705 CVELGQNYLIDBND-UHFFFAOYSA-N 383.872 4.758 0 40 GJAB CC(C)n1nccc1-c1nnc(NC(=O)c2cccc(Oc3ccccc3)c2)o1 38661767 WTKIFWZYMXMPIX-UHFFFAOYSA-N 389.415 4.559 0 40 GJAB Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Oc2cnccn2)cc1 40112573 ANHUMTTYMHXOJE-UHFFFAOYSA-N 390.374 4.624 0 40 GJAB Cc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4F)c3N)n2)c(C)c1 49001883 UUHKLGOEWGXJPV-UHFFFAOYSA-N 383.427 4.535 0 40 GJAB Cc1nc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)sc1-c1ccccn1 58014332 PNUZEHLANSQSRU-UHFFFAOYSA-N 383.521 4.841 0 40 GJAB Cc1cc(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)c2c(C)noc2n1 58366297 ZPSJNWGGBGWEPP-UHFFFAOYSA-N 392.846 4.735 0 40 GJAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 59227239 DJGZUARVTPAECD-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4ccccn4)C3)c2)c1 72353857 WCEODFCSCIBDSD-QFIPXVFZSA-N 385.511 4.704 0 40 GJAB O=C(NNc1cccc(Cl)c1)c1cc(-c2ccco2)nn1-c1ccccc1 95347448 IZCZCICASXWSSN-UHFFFAOYSA-N 378.819 4.543 0 40 GJAB O=C(c1ccccc1F)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 96822806 IJCTXEMMVJTEEY-TWGQIWQCSA-N 389.426 4.957 0 40 GJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 118914991 GSSIBIORSPCRIO-BHXFFAOXSA-N 376.537 4.704 0 40 GJAB COc1ccc(Cl)cc1NC(=O)NCc1ccc(C(=O)c2ccco2)s1 211083082 SSPGDOHDNYBOQK-UHFFFAOYSA-N 390.848 4.556 0 40 GJAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223481244 JQVPDXPVUOPDFH-OFNKIYASSA-N 394.559 4.650 0 40 GJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc2ccccc2c1 223615853 DKJBCGOLOPSFII-SFHVURJKSA-N 385.463 4.956 0 40 GJAB COc1ccccc1O[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225131405 XACBQNWWHCCZBY-FQEVSTJZSA-N 380.465 4.921 0 40 GJAB Cc1cc(NC(=O)C(C)(C)Br)cc(C)c1OCc1ccccc1 225595779 BRXSPZZBXCTBGJ-UHFFFAOYSA-N 376.294 4.994 0 40 GJAB COc1ccc(-c2nnsc2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 225762326 JRRBGMHJFPHBLW-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccc(F)cc1 408693646 BKVMVJWIEJZKTB-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB CC[C@H](C)c1ccc([C@H](NC(=O)c2cn3c(n2)COCC3)c2cccs2)cc1 623682689 YZLRFMLJCPSGPE-BTYIYWSLSA-N 395.528 4.508 0 40 GJAB CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 626520143 PQOISBDSRWJBPB-AKAXFMLLSA-N 394.393 4.732 0 40 GJAB CC1(C)CN(C(=O)[C@H]2CCc3ccccc3O2)c2cc(C(F)(F)F)ccc2O1 1133939179 UOQHGRMKXLHXOH-GOSISDBHSA-N 391.389 4.603 0 40 GJAB CC(C)C(=O)N[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 832372 UZQKTENNJAIXRA-LLVKDONJSA-N 379.498 4.841 0 40 GJAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c(C)c1 990087 VYZBSIDKDVNBRU-AREMUKBSSA-N 399.490 4.619 0 40 GJAB CC(=O)c1cccc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)c1 1339909 LFTIFKODKCSEBM-UHFFFAOYSA-N 390.508 4.965 0 40 GJAB Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)Nc1ccc(F)cc1 1401136 JJHWYZFZDBZPKF-UHFFFAOYSA-N 393.340 4.931 0 40 GJAB CCCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 1775068 RDXUQDCPWSIXLH-UHFFFAOYSA-N 388.803 4.571 0 40 GJAB O=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 2323506 VMQJUCKAZSYZJX-UHFFFAOYSA-N 377.831 4.901 0 40 GJAB COc1ccc2nc3c(cc2c1)c(NC(=O)c1cccs1)nn3CC(C)C 2416023 GZTSSNCBJRWJOA-UHFFFAOYSA-N 380.473 4.563 0 40 GJAB Cc1cccc2cc3c(NC(=O)COc4ccccc4)nn(CC(C)C)c3nc12 2420383 UQOKJNDCCJIEGB-UHFFFAOYSA-N 388.471 4.566 0 40 GJAB Cc1ccccc1[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@@H]2c1cccs1 2707217 OTINGDSTQHQADC-FGZHOGPDSA-N 398.491 4.861 0 40 GJAB COc1ccc(CN(C[C@H](O)COc2cccc3[nH]cc(C)c23)C(C)(C)C)cc1 3109437 TYUMCLALIPLROE-IBGZPJMESA-N 396.531 4.525 0 40 GJAB CCOc1ccccc1N(C(=O)Nc1ccc(Cl)cc1)C1=NCCS1 3227227 OUQHBVIMAOYXQN-UHFFFAOYSA-N 375.881 4.880 0 40 GJAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1 3515707 NGNDGYXJTUAKSC-JTQLQIEISA-N 399.082 4.618 0 40 GJAB COc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)cc1 4059421 ZVGVOUOZRXTWCD-HXUWFJFHSA-N 397.931 4.952 0 40 GJAB COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)n2)cc1 4134719 YTSNFHWKTQALAT-UHFFFAOYSA-N 378.862 4.564 0 40 GJAB O=C(Nc1nc2c(Br)cccc2s1)c1nc2ccccc2s1 4325781 MXJAKZSUZXWYLX-UHFFFAOYSA-N 390.287 4.921 0 40 GJAB NC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCCC2 4574412 ZAKWVNXLSDLKEO-UHFFFAOYSA-N 392.480 4.770 0 40 GJAB C[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)N3CCC[C@@H](C)[C@H]3C)cc2)[C@H]1C 4713647 DVMVMYMDLLKZEC-USTZCAOPSA-N 386.540 4.991 0 40 GJAB Cc1ccc(CNC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1 5146514 ANJRWHZOUUPTPD-UHFFFAOYSA-N 395.915 4.884 0 40 GJAB CCn1c(SCC(=O)c2c(C)cc(C)cc2C)nnc1-c1ccc(OC)cc1 5850423 WRHYBKNLYSVDTC-UHFFFAOYSA-N 395.528 4.874 0 40 GJAB Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCCCCCCCC2)cc1 5929539 QVXHQJUAFTVXHV-UHFFFAOYSA-N 380.554 4.656 0 40 GJAB Cc1cccc(N(CC(=O)Nc2ccc(Cl)cc2)c2n[nH]c(=S)s2)c1 8414505 XDODGBJIKCCOMO-UHFFFAOYSA-N 390.921 4.939 0 40 GJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-n2cccc2)cc1 9469643 DOWUGJQXWQUEPF-UHFFFAOYSA-N 397.482 4.715 0 40 GJAB COc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)cc1 10156633 YXCDIIGBMIAMQA-OAHLLOKOSA-N 377.419 4.589 0 40 GJAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3ccncc3)on2)cc1 12120248 WRUYQMTVHQLIBE-HXUWFJFHSA-N 377.444 4.503 0 40 GJAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)c2ccccc2)n(C(C)C)c1C 12408540 JPHDQEIVLIOWSL-UHFFFAOYSA-N 396.512 4.771 0 40 GJAB CCCc1nnc2sc(-c3cccc(NC(=O)c4cc(C)cc(C)c4)c3)nn12 20609617 WEPCSEZRIWJLLJ-UHFFFAOYSA-N 391.500 4.674 0 40 GJAB CCn1nc(NC(=O)c2ccccc2Br)c2cc3ccccc3nc21 21596643 NTNPOZWLAGBDNN-UHFFFAOYSA-N 395.260 4.619 0 40 GJAB COc1cccc(-c2c(C(N)=O)c(C)nc3sc4c(c23)CC[C@H](C)C4)c1OC 25668307 JEERWSNKHPXLAA-NSHDSACASA-N 396.512 4.513 0 40 GJAB Cc1ccsc1CN(Cc1ccco1)C(=O)c1cc(=O)c2ccccc2o1 27990851 IFLZFXBXHOMXBL-UHFFFAOYSA-N 379.437 4.599 0 40 GJAB Cc1cccc(-c2nnc(S[C@H]3CCCCCC3=O)n2Cc2ccco2)c1 28189212 MSSJSJCIANHEKY-IBGZPJMESA-N 381.501 4.889 0 40 GJAB COc1ccccc1O[C@H](C)C(=O)N(Cc1ccccc1Cl)c1ccccn1 28293492 SIZXWKUUDFXUTM-MRXNPFEDSA-N 396.874 4.744 0 40 GJAB Cc1cc(C)cc(NC(=O)c2c(N)n(C(=O)c3ccccc3)c3ccccc23)c1 28535382 DGEFPMCSAUDGMK-UHFFFAOYSA-N 383.451 4.781 0 40 GJAB O=C(N[C@H]1CCCCC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 32099080 XHSIQBBMUSBJOO-CTNGQTDRSA-N 379.456 4.559 0 40 GJAB Cc1cc2oc(C(=O)NCCc3nc(-c4ccccc4)no3)c(C)c2cc1Cl 32593731 UQIJVDSCOMUERU-UHFFFAOYSA-N 395.846 4.726 0 40 GJAB C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)[C@@H]1CCCO1 36758243 WYVPAHPKCOCIIY-QAPCUYQASA-N 378.497 4.774 0 40 GJAB CC(C)Cc1noc(CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)n1 37143216 SJMMFGFTYHIFIZ-UHFFFAOYSA-N 392.912 4.505 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(Cc2cccnc2)CC1 40096286 VRESJKRTFILWKA-UHFFFAOYSA-N 380.536 4.678 0 40 GJAB CC(C)C(=O)Nc1cccc(CNC(=O)Nc2ccc(Cl)cc2Cl)c1 40096606 TVJDGTCIFPQRRR-UHFFFAOYSA-N 380.275 4.910 0 40 GJAB COc1ccc(CN(CCCn2ccnc2)Cc2ccc(C)s2)c(C)c1C 43277886 QBRMUFWHIBZCCG-UHFFFAOYSA-N 383.561 4.971 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)NCc1ccoc1 47842373 JOFGYNFUAZKGSY-KBPBESRZSA-N 389.883 4.658 0 40 GJAB O=C1N[C@@H](c2c[nH]c3ccccc23)Nc2c1sc(=S)n2-c1ccccc1 59459470 XIEKVDIMDIQPNU-INIZCTEOSA-N 378.482 4.604 0 40 GJAB O=c1c2ccccc2nc(SCCc2ccccc2)n1CCc1ccccc1 67259292 LHJKSKPOTAGRMF-UHFFFAOYSA-N 386.520 4.974 0 40 GJAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1 67295465 AFRFNMFIKRZKTD-FLFQWRMESA-N 378.815 4.842 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1OC 72230012 VLLMHCHMGVRRQY-NRFANRHFSA-N 397.858 4.691 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 72309805 SPLAUOOUCOQQLJ-UHFFFAOYSA-N 388.475 4.655 0 40 GJAB Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)c1 98212187 UOFIRLAKEZIURC-GOSISDBHSA-N 381.863 4.605 0 40 GJAB CCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1F 224587427 WRXOJSBYXBIFMK-UHFFFAOYSA-N 395.927 4.860 0 40 GJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225702971 QVCYSODXJMAESH-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB CSc1cccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 409017600 FVJCAAKSABWVNP-UHFFFAOYSA-N 388.920 4.553 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)Cc3ccccc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409361718 RDDPDCDZHVDHTA-QINHECLXSA-N 396.453 4.531 0 40 GJAB O=C1CC[C@@]2(CCCN(Cc3cc(F)ccc3F)CC2)N1CC1CCCCC1 585100257 JCFCJNOBRPGOLM-HSZRJFAPSA-N 390.518 4.892 0 40 GJAB CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2ccccc2OC)nc1O 1533044308 AXUZNMBJWGGZCV-UHFFFAOYSA-N 396.874 4.779 0 40 GJAB Cc1ccc2c(c1)OC1(CCN(Cc3csc(C)n3)CC1)[C@@H]1CCCO[C@@H]21 1615156872 NBIXQZKLNLUQII-CTNGQTDRSA-N 384.545 4.655 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)o1 1083491 SYXFNDJWKXXIJC-UHFFFAOYSA-N 385.803 4.551 0 40 GJAB Cc1nc(SCC(=O)N(C(C)C)C(C)C)c2c3c(sc2n1)C[C@H](C)CC3 1326246 KYGUPYRWTCZEFN-CYBMUJFWSA-N 391.606 4.862 0 40 GJAB CCCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2cccc(C)c2)s1 1345442 NUCBQRHEDBTQMM-UHFFFAOYSA-N 381.501 4.508 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)c1ccc(Br)cc1 3285447 XLJBIXUJZQEKSH-JTQLQIEISA-N 384.067 4.862 0 40 GJAB C[C@@]12C(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 4162328 UVNVIINRUYTRNB-NCJVPTDTSA-N 379.843 4.834 0 40 GJAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc2ccccc2c1 4610412 HRGWRXGAPYZJAT-UHFFFAOYSA-N 399.402 4.725 0 40 GJAB Cn1cc(-c2ccccc2)nc1SCC(=O)c1ccc(Br)s1 4632179 JZLRLXQXWAMRQQ-UHFFFAOYSA-N 393.331 4.886 0 40 GJAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)cc1 5235748 QGGOWZMSWQXNGN-HXUWFJFHSA-N 381.479 4.914 0 40 GJAB CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OC)cc3OC)s2)cc1 5405022 XALVURGUHZAFPN-UHFFFAOYSA-N 382.485 4.950 0 40 GJAB C[C@H]1c2cc3c(cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1)OCCCO3 5422886 GHIZUYJHKPEILN-ZDUSSCGKSA-N 391.389 4.626 0 40 GJAB CC[C@@H](C)CCCNc1nnc(SCC(=O)N2CCCC[C@H]2CC)s1 5505554 UKAYVNTYGPXJLH-HUUCEWRRSA-N 384.615 4.660 0 40 GJAB O=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccc(Br)cc1 5579506 ZYWSTUALGRGJBT-UHFFFAOYSA-N 388.286 4.502 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccccc1F)c1ccccc1 6058955 AFIKDCNVYPHEQN-NRFANRHFSA-N 393.414 4.680 0 40 GJAB Cc1nc2ccc(C(=O)OCc3cc4ccccc4nc3Cl)cc2nc1C 6590452 RLFLPHCYGMQUIL-UHFFFAOYSA-N 377.831 4.805 0 40 GJAB O=C(COC(=O)/C=C/c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 6929465 BNFGCXVRPCBOGX-RMKNXTFCSA-N 383.753 4.554 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2nnc(NCc3ccccc3)s2)c(C)c1 6942329 DZVUYOWGYMIDRC-UHFFFAOYSA-N 398.557 4.806 0 40 GJAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 7718792 VTNVRDOBLWHLSH-RPWUZVMVSA-N 397.474 4.948 0 40 GJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1ccc(Cl)cc1 9036878 HTVBQICWDCYGML-UHFFFAOYSA-N 396.899 4.852 0 40 GJAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 11999096 HAPBCGVNQIGXIM-UHFFFAOYSA-N 392.846 4.582 0 40 GJAB CC[C@@H](C(=O)NCc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 12854126 YIZQYXGEGUUISS-FQEVSTJZSA-N 393.556 4.571 0 40 GJAB COc1ccc(CCC(=O)Nc2cc(Cl)cc(Br)c2OC)cc1 12949578 SQAAMWCRNCSNEM-UHFFFAOYSA-N 398.684 4.691 0 40 GJAB COc1ccc2c(-c3ccccc3)cc(=O)n(C[C@@H](O)c3ccc(F)cc3)c2c1 12985860 XWCGONGFLZYCGK-HSZRJFAPSA-N 389.426 4.550 0 40 GJAB COC(=O)[C@H](CSC/C=C(/C)CC/C=C(\C)CCC=C(C)C)NC(C)=O 13515438 MXSBUVKSWFWHTQ-MXUUDVGZSA-N 381.582 4.817 0 40 GJAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(C1CCCC1)C3 13735836 NXFFDNSUCSPPJP-UHFFFAOYSA-N 377.440 4.563 0 40 GJAB biogenic O=C(Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1)C1CC1 14084832 ZWTAKZQRBDOWSE-UHFFFAOYSA-N 384.435 4.911 0 40 GJAB COc1cc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl 14347517 QHBWTSZGFMFCJO-UHFFFAOYSA-N 393.226 4.918 0 40 GJAB COc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1 17045563 BQZXIGCFYYFKMG-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB COc1cccc([C@H]2CCCN2C(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c1 19662131 ADDJJMPBQHZDIS-HXUWFJFHSA-N 393.874 4.783 0 40 GJAB CC[C@@H](C(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1)c1ccccc1 22925278 WXJCZFSOFCZROL-QGZVFWFLSA-N 394.496 4.903 0 40 GJAB CCc1nn2c(=O)cc(CNc3ccc(-c4ccccc4)cc3Cl)nc2s1 25734146 FXMAEIASLWOTBX-UHFFFAOYSA-N 396.903 4.646 0 40 GJAB Cc1c(NC(=O)c2ccccc2)cccc1C(=O)N1CCc2sccc2C1 26044823 VBDNEULQLPJHAJ-UHFFFAOYSA-N 376.481 4.507 0 40 GJAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cc(F)c(F)cc1Cl 28303745 KBZJONDVXXFDQM-UHFFFAOYSA-N 382.197 4.769 0 40 GJAB O=C(NCCc1ccccn1)c1ccccc1Nc1cccc(C(F)(F)F)c1 28819978 DMVPAROHBBQGPT-UHFFFAOYSA-N 385.389 4.817 0 40 GJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCCN1C(=O)c1ccccc1 32759491 ZTVVRHNJBSAKOJ-HSZRJFAPSA-N 382.463 4.501 0 40 GJAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1 35078073 FSGZKJKCJVGAQU-UHFFFAOYSA-N 388.398 4.575 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38848662 YLCOPMBCKHQKBV-MRXNPFEDSA-N 395.305 4.661 0 40 GJAB O=C(C1CCN(CC(F)(F)F)CC1)N1CCC[C@H]1c1cccc2ccccc12 56363056 QNBDBGJLLMMPDR-FQEVSTJZSA-N 390.449 4.778 0 40 GJAB Cn1ccnc1-c1nc(N[C@@H]2CCc3ccccc32)ncc1-c1ccccc1F 57775430 WYAUEAYJHFWTEI-HXUWFJFHSA-N 385.446 4.783 0 40 GJAB O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(-c2ccsc2)c1 58218557 IFUCCYWHUCJQNA-UHFFFAOYSA-N 378.453 4.742 0 40 GJAB C[S@](=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 60608933 ZNEKLXNMLHMXLV-HHHXNRCGSA-N 392.505 4.953 0 40 GJAB COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(C)n1 67296693 YOWYPEKFRKFPLE-BZZOAKBMSA-N 385.423 4.630 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(NC3CCCC3)nc2)cc1 72213997 DGERPXGFXKQWIZ-NRFANRHFSA-N 399.560 4.660 0 40 GJAB CCCCNC(=O)N1CCN([C@H](c2ccc(C)cc2)c2ccccc2C)CC1 72265280 UULCGJVDZKQSBJ-HSZRJFAPSA-N 379.548 4.520 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC[C@@]2(CC=CCC2)C1 72284963 HRYZQZNFKTYSSX-RDPSFJRHSA-N 392.547 4.638 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)C3C[C@@H]4CC[C@H](C3)N4C(C)C)cn2)cc1 79019314 XYKMDKNGVQPEGF-CTXDPNEZSA-N 379.504 4.772 0 40 GJAB O=C(c1cc(Cl)ccc1Cl)N1CCC(CSC2=NCCS2)CC1 90608305 PAJRCJIRRNAJOF-UHFFFAOYSA-N 389.373 4.682 0 40 GJAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)c1C 95947389 BDZGNJMHODTWSW-UHFFFAOYSA-N 392.484 4.981 0 40 GJAB O=C(CSCc1ccc(Cl)cc1Cl)NCCSCc1ccco1 222718125 RMTCCXUPOJOWAI-UHFFFAOYSA-N 390.357 4.869 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(OC(C)C)cc1 222967357 ZZQBMLHXFJQCMU-QFIPXVFZSA-N 383.532 4.997 0 40 GJAB O=S(=O)(Nc1cccc(OCCc2ccccc2)c1)c1ccc(Cl)cc1 223641853 ZPPQCXOXCGDIMY-UHFFFAOYSA-N 387.888 4.762 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223698969 IOBPNLNITMVQLI-HNNXBMFYSA-N 375.896 4.600 0 40 GJAB S=C(NCc1ccc(Cl)cc1)Nc1ncc(Cl)cc1Br 223928152 XUNMEOIJSNXTDQ-UHFFFAOYSA-N 391.121 4.638 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)c1 225140124 OGQQVFNYQUMWMH-GFCCVEGCSA-N 397.899 4.607 0 40 GJAB C[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(C(C)(C)C)cc1 225408557 UYPWGCDEILEJBP-OAHLLOKOSA-N 383.561 4.734 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 225549214 QQNRGNYQTRHLHU-NZQKXSOJSA-N 394.559 4.568 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Cl)cc1 225685616 BUNRUYSPPZYANP-INIZCTEOSA-N 376.909 4.937 0 40 GJAB COc1cccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)c1 225834468 GPKWAMPXKOOFHQ-UHFFFAOYSA-N 385.714 4.598 0 40 GJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C(=O)OC)c1 225845608 OVMFNJBIOUVQQF-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB Cc1cc(Nc2cccc(CC3CCN(Cc4cccc(F)c4F)CC3)n2)[nH]n1 257314515 UXIIDMCYUKOZNJ-UHFFFAOYSA-N 397.473 4.590 0 40 GJAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(N2CCCC2)cc1 408676543 KJONKEZYRGATDC-UHFFFAOYSA-N 379.685 4.955 0 40 GJAB CCOc1ccccc1N=c1[nH]c(-c2ccc(CC)cc2)c(CC(=O)O)s1 408895350 MKOGMQGSPHSWGS-UHFFFAOYSA-N 382.485 4.564 0 40 GJAB Cc1cccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@@H]3[C@]2(O)C(F)(F)F)c1 409098878 MMYMTVGUTJAJTP-DOXZYTNZSA-N 382.426 4.520 0 40 GJAB Cc1cc(Cl)c2ccccc2c1NC(=O)N1CCC[C@H](N2CCCC2=O)CC1 573547718 HHRHLGVBEDNDNX-INIZCTEOSA-N 399.922 4.810 0 40 GJAB O=C(Nc1nc([C@H]2CCCN2Cc2ccccn2)cs1)c1cccc(Cl)c1 585295317 URQWRVUVBYQTAU-GOSISDBHSA-N 398.919 4.781 0 40 GJAB O=C(O)c1cc2cc(CN3CCC[C@@H]4O[C@H](c5ccccc5)C[C@@H]43)ccc2o1 652512699 MZPDGXLXFNCUKE-JBACZVJFSA-N 377.440 4.626 0 40 GJAB Cc1nnc(CN(C)C(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)s1 664567622 ARBATLUSOHVJGT-CYBMUJFWSA-N 384.480 4.555 0 40 GJAB O=C(N[C@@H](Nc1ccc2ccccc2c1)C(=O)c1ccccc1)c1cccs1 655670 IBMISQLAQVJSNZ-JOCHJYFZSA-N 386.476 4.952 0 40 GJAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCCCC1 902158 ITPQXEGJLAENEP-UHFFFAOYSA-N 399.438 4.687 0 40 GJAB CC1CCN(C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)CC1 1465522 MYHFGDAFCZUTOU-UHFFFAOYSA-N 383.542 4.709 0 40 GJAB CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cc(C)ccc1C 2184809 BVXDGKZEGFQQMI-UHFFFAOYSA-N 397.496 4.670 0 40 GJAB CCCCN(CCCC)CCCn1cnc2c([nH]c3ccc(OCC)cc32)c1=O 2214568 WKSMTDHFDBPRKU-UHFFFAOYSA-N 398.551 4.569 0 40 GJAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C(C)C)cc1 2448180 UMDXKVXNGLNOOM-LVXARBLLSA-N 375.449 4.897 0 40 GJAB CCOC(=O)Nc1scc(-c2ccc(Br)cc2)c1C(=O)OCC 2773416 CDQFRVVWSGRIBB-UHFFFAOYSA-N 398.278 4.923 0 40 GJAB COc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 4510542 BCLWMIHWPKZDNX-KRWDZBQOSA-N 396.314 4.850 0 40 GJAB CCOC(=O)/C=C/C(=O)n1nc(-c2ccccc2)c2c1[C@H](C(C)C)CC[C@H]2C 4671457 GNUMJKTYKPYMCK-UKBCRRFPSA-N 380.488 4.947 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C(C)C)cc2)NC(=S)N1 4889324 GVZFPFVICPMHPG-NRFANRHFSA-N 393.556 4.858 0 40 GJAB COc1cccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccco3)C2)c1 5069491 SJMORQDBPBHLPN-LJQANCHMSA-N 380.831 4.933 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1OC 5244946 DVTKKTVZFLUGTB-RIYZIHGNSA-N 380.488 4.736 0 40 GJAB CCc1nc(SCC(=O)Nc2cccc(C)c2)c2oc3ccccc3c2n1 5501396 MULCQOZRYCPIEQ-UHFFFAOYSA-N 377.469 4.978 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1Cc1ccccc1 5576579 KGCRMYSJIRAWIB-NRFANRHFSA-N 385.394 4.678 0 40 GJAB COc1ccc(/C=C2\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)cc1Cl 5676017 JAWVZLSDEAKXBA-AUWJEWJLSA-N 382.630 5.000 0 40 GJAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)s1 5689468 XHGIFFMMXIFSIL-FQEVSTJZSA-N 378.453 4.552 0 40 GJAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1cc(F)ccc1F 6485609 LFPROLYTGCHLQF-UHFFFAOYSA-N 383.350 4.553 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 6501912 JKYPSQPOAGKYIX-UHFFFAOYSA-N 383.698 4.538 0 40 GJAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(Cl)c1 6505423 OHSKRAUOIYIPBF-UHFFFAOYSA-N 383.344 4.567 0 40 GJAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(F)cc1 6535843 QVOXFTCRXOTDBN-UHFFFAOYSA-N 394.789 4.532 0 40 GJAB Cc1cc(C(=O)COc2ncnc3ccccc23)c(C)n1CCc1cccs1 6589884 NIMLCBUFSUDTFM-UHFFFAOYSA-N 391.496 4.614 0 40 GJAB O=C(Oc1ccc2c(c1)OCO2)c1cccnc1Sc1ccc(Cl)cc1 6626358 HTKHDEDCCXMPFF-UHFFFAOYSA-N 385.828 4.834 0 40 GJAB COc1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)cc1 6706672 SBTFHTZUIRYXDJ-PXLXIMEGSA-N 398.462 4.952 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2Cc2cc(=O)oc3cc(C)c(C)cc23)c1 7718535 ASCKQDCDZYVHKV-OAQYLSRUSA-N 393.483 4.764 0 40 GJAB Cc1cc(C)cc(OCC(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 7793823 NFAANKWSFHFVBH-UHFFFAOYSA-N 389.451 4.678 0 40 GJAB CCOc1ccc2oc(C(=O)NCc3ccccc3CN3CCCC3)c(C)c2c1 8012114 IQKVQDXSJGQZRF-UHFFFAOYSA-N 392.499 4.666 0 40 GJAB O=C(COc1ccc(F)cc1Cl)N[C@H](c1ccccc1)c1cccs1 8070187 DTJAPKUUYWZVNS-LJQANCHMSA-N 375.852 4.825 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc3ccccc3o2)CC1 8131922 RTBRUDXYOHMKLU-UHFFFAOYSA-N 387.439 4.811 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c(C)c1 8280407 BVHZHCYMNPKGPF-UHFFFAOYSA-N 377.469 4.697 0 40 GJAB CN1CCN(c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)CC1 8297177 SQEJFLXZNCAVRF-UHFFFAOYSA-N 392.503 4.849 0 40 GJAB Cc1nc(-c2cccc(N[C@H](C)C(=O)Nc3ccc(F)c(F)c3F)c2)cs1 8429110 AGSNLNZCGWBLEB-SNVBAGLBSA-N 391.418 4.975 0 40 GJAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 8633874 MFJLWOBXBYCRQI-UHFFFAOYSA-N 391.452 4.629 0 40 GJAB COc1ccc(Nc2ccccc2NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 9378797 MDZZCWUSYRBJTR-OAQYLSRUSA-N 388.423 4.679 0 40 GJAB COc1ccccc1NC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 9876792 NMHNQEMTDHMFCN-UHFFFAOYSA-N 396.343 4.521 0 40 GJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(C)c2)cc1 11116439 VFAXQWYIGCJSEP-LEWJYISDSA-N 393.512 4.511 0 40 GJAB O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 11692662 NHUMAQOZZMGBDU-HXUWFJFHSA-N 384.464 4.683 0 40 GJAB C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1F 12677007 LJPLCRCQGCJJNV-KZULUSFZSA-N 391.284 4.656 0 40 GJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NOCc1ccccc1 12914931 QTNRSPCOFRNAPK-UHFFFAOYSA-N 377.227 4.818 0 40 GJAB C[C@H](Sc1cnc2ccccc2n1)C(=O)Nc1ccccc1C(F)(F)F 12929787 XLTDHLMQDMZBGI-NSHDSACASA-N 377.391 4.768 0 40 GJAB COc1cc(CNC(=O)c2cccc3cccnc23)ccc1OCc1ccccc1 14137575 AGGHWJCFOBRZLG-UHFFFAOYSA-N 398.462 4.752 0 40 GJAB Cc1cc(C)cc(NC(=O)c2ccc(CSc3ncnc4nc[nH]c34)cc2)c1 18179971 LJQVCDXOWIWODL-UHFFFAOYSA-N 389.484 4.514 0 40 GJAB Oc1cccc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1 19330831 ZABXKYDTQGQLNQ-HXUWFJFHSA-N 392.455 4.893 0 40 GJAB CCC(=O)N1CCC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 19498676 OZPJJVQELIYPED-HSZRJFAPSA-N 398.572 4.501 0 40 GJAB COc1cccc(CN2CCCC[C@H]2c2nnc(-c3cccs3)o2)c1OC 19567892 CTEMKHOKRYLJTF-HNNXBMFYSA-N 385.489 4.543 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1C 20143831 PPYOCWKREQHXNG-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB Cc1cc2nc(-c3cccc(NC(N)=S)c3C)oc2c(Br)c1C 20156928 GIFOWAYRVROKGS-UHFFFAOYSA-N 390.306 4.838 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20485312 OHWFUOUGBIUOSS-LJQANCHMSA-N 380.532 4.808 0 40 GJAB COc1ccccc1CNC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 23174832 ANAKHJRKWASOAH-UHFFFAOYSA-N 393.468 4.507 0 40 GJAB C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccc(F)cc1F 24843204 JFGFCCBJFLVXHM-SECBINFHSA-N 379.204 4.700 0 40 GJAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc1 27584495 WTFGWQDIFHOEJO-QHCPKHFHSA-N 380.532 4.741 0 40 GJAB C[C@@H](NC(=O)NCc1cccc(NC(=O)c2ccco2)c1)c1ccc(Cl)cc1 28408563 PQABWWKFFKBQFK-CQSZACIVSA-N 397.862 4.746 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(OC2CCCC2)cc1 29026721 LDQXEFDIXVUSMV-QHCPKHFHSA-N 390.483 4.911 0 40 GJAB Cc1cc(C(F)(F)F)nc2sc(C(=O)N(C)c3ccc(F)cc3)c(N)c12 32117799 FCJVCRNRXNFYTL-UHFFFAOYSA-N 383.370 4.621 0 40 GJAB CC[C@H]1CCc2sc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2C1 32967223 YNNKVBHIFRNEHZ-FUHWJXTLSA-N 386.561 4.813 0 40 GJAB Cc1ccc(COc2c(Cl)cc(C(=S)N3CCOCC3)cc2Cl)cc1 33671833 CYCAPUZDHBAZIX-UHFFFAOYSA-N 396.339 4.889 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38834712 KJJBFAITBKZXBC-HNNXBMFYSA-N 380.385 4.695 0 40 GJAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCC[C@H]3c3ccc[nH]3)s2)cc1 48309684 AIDVSZIBNMUXBV-SFHVURJKSA-N 381.501 4.644 0 40 GJAB COc1ccccc1C1(CNC(=O)c2cc3c(s2)CCCCC3)CCOCC1 58421700 YWAJJZLLHWZIDT-UHFFFAOYSA-N 399.556 4.504 0 40 GJAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 59227330 WPUIKLSQKCCPPY-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)NC2CC2)cc1 71844363 WBFUKWNJOYOPRT-VXKWHMMOSA-N 391.515 4.769 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 216354205 YCAZULPXDZZLCO-JOCHJYFZSA-N 390.483 4.776 0 40 GJAB Cc1cc(C)c(OCC(=O)n2cc(C=O)c3ccccc32)c(Br)c1 216810261 SBTFRTWTAFQIJE-UHFFFAOYSA-N 386.245 4.552 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 222854312 GECGBBGPOTVJBY-KRWDZBQOSA-N 389.923 4.954 0 40 GJAB COc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1C(C)C 223265383 LSVOGOHYKOMABW-MNDMWVCDSA-N 381.472 4.746 0 40 GJAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN(C)C)cc3)CCCC2)cc1 225513073 MSNNGIYAZXPNIB-UHFFFAOYSA-N 380.532 4.776 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 225526600 JLKGKSYDWQXJPG-REWPJTCUSA-N 394.559 4.568 0 40 GJAB COc1cc(CNC(=S)Nc2cccc(C(F)(F)F)c2)ccc1OC(C)C 225530633 KSVHGONSGPIQOW-UHFFFAOYSA-N 398.450 4.988 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 225851770 HJDRTVJDVIVQJA-IAGOWNOFSA-N 385.504 4.780 0 40 GJAB O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 225904039 KODFZMPXQBGUFM-OAHLLOKOSA-N 385.920 4.800 0 40 GJAB CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2cccc(F)c2)c1 408619857 IAMVPNMJIPJAIY-UHFFFAOYSA-N 380.872 4.609 0 40 GJAB O=C(NC(=S)Nc1ccc(F)cc1)c1cccc(OCc2ccccc2)c1 408624652 VKOVCOGHIQSBDA-UHFFFAOYSA-N 380.444 4.532 0 40 GJAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1C[C@@H](C)c2ccccc21 549819361 YJZVUIHWELRIHK-CQSZACIVSA-N 379.891 4.835 0 40 GJAB CO[C@@H](C(=O)Nc1c(Cl)cccc1Oc1cc(C)cc(C)c1)[C@@H]1CCOC1 622890342 DDHSBXOIAVHVOC-FOIQADDNSA-N 389.879 4.739 0 40 GJAB COc1ccc(-c2csc3nc(-c4coc(C5CC5)n4)nc(O)c23)cc1OC 630386059 STTJQIRIOGHUAT-UHFFFAOYSA-N 395.440 4.614 0 40 GJAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(CCCc3ccccc3)C[C@@H]1CCO2 1534646132 CNEFRYGPLRUZDU-VXKWHMMOSA-N 392.543 4.677 0 40 GJAB C[C@H]1C(=O)N(Cc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 1385976 GEWYNZJJVBJZCD-HNNXBMFYSA-N 392.405 4.547 0 40 GJAB CC(=O)Nc1cc(Br)cc2c1-c1ccc(Br)cc1C2 1580953 YXURSMHNWJXGHN-UHFFFAOYSA-N 381.067 4.741 0 40 GJAB O=C(Nc1cccnc1Oc1ccc(F)cc1F)C(Cl)=C(Cl)Cl 2152011 BIYLFUUCWDHURS-UHFFFAOYSA-N 379.577 4.976 0 40 GJAB CCOc1ccc(C(=O)[C@H](C)[C@@H](C)c2cc(Cl)cc3c2OCOC3)c(O)c1 2160654 ZHTDENBYWIFXCL-CHWSQXEVSA-N 390.863 4.933 0 40 GJAB biogenic COC(=O)CSc1nc(O)c2c(n1)-c1ccccc1C[C@@]2(C)C1CCCCC1 2293934 BYSUMBFCWPJNLW-QFIPXVFZSA-N 398.528 4.508 0 40 GJAB Cc1ccc(NC(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(N)=O)cc1 2773662 ZZOHHAXEBJGVFJ-UHFFFAOYSA-N 383.448 4.914 0 40 GJAB COc1ccc(-c2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)o2)cc1 3610393 DGWMBCWNGFCWNE-UHFFFAOYSA-N 379.441 4.510 0 40 GJAB C[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C(N)=O)C1 4174164 RKBFTLCWJNIYAL-ZCFIWIBFSA-N 389.329 4.592 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 4331425 LPVBECNMRPZRBQ-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1Cl 4616563 MKANHYUPEFZXAI-UHFFFAOYSA-N 389.691 4.782 0 40 GJAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccc(OC)c(OC)c1 4849259 MWFDVBNAUSVFQE-UHFFFAOYSA-N 382.485 4.545 0 40 GJAB CNC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CC[C@H](C)C2 5055627 LGYNKKHPIQPVIN-ZDUSSCGKSA-N 378.497 4.638 0 40 GJAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccc(F)cc1 5164807 OYPVOPCWDLCKSV-FJIJXJHWSA-N 397.490 4.733 0 40 GJAB CCCCC1CCC(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)CC1 5168611 WLQOXMZLZIYJSK-UHFFFAOYSA-N 377.492 4.726 0 40 GJAB CCn1cc(NC(=O)N2CCN(c3ccccc3Cl)CC2)c2ccccc21 5265954 GUHZTYWRONTDOZ-UHFFFAOYSA-N 382.895 4.669 0 40 GJAB Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCCCC1=O 5441763 IGYCALJXXQOBQB-UHFFFAOYSA-N 376.378 4.783 0 40 GJAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2cccnc2)N1 5447020 AYSVPOOUSGCNNT-FQEVSTJZSA-N 384.464 4.614 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1CCc1ccccc1 5533049 NDFIYZKIUDHTBA-QFIPXVFZSA-N 381.431 4.581 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c(Cl)c1 6233575 PWLDDBISQQKNEU-UHFFFAOYSA-N 389.691 4.788 0 40 GJAB Cc1ccc(-n2nnnc2SCc2csc(Nc3ccccc3)n2)c(C)c1 6509557 KIOBBAZGDLLDAC-UHFFFAOYSA-N 394.529 4.772 0 40 GJAB CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(C)cc3c2C)cc1 6767609 UPBRHLXOFWXGLM-UHFFFAOYSA-N 377.400 4.751 0 40 GJAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 6849454 FWOFSGVAIHDXDD-KOAUVEIYSA-N 391.511 4.603 0 40 GJAB biogenic O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1ccccc1Cl 7007693 GOGDMNNVIYVCMC-UHFFFAOYSA-N 392.282 4.987 0 40 GJAB CCc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)s1 7347646 PUQZFULYDZMYPX-UHFFFAOYSA-N 389.484 4.514 0 40 GJAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3)ccc21 8959301 KWKORGWPGBCLGJ-UHFFFAOYSA-N 380.488 4.737 0 40 GJAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)c(C)c1 9462667 XPCDPBFIFRBURK-UHFFFAOYSA-N 386.451 4.893 0 40 GJAB Cc1ccc(NC(=O)CSCCOc2ccccc2)cc1Br 9882905 KGDZXPBOEDEYFL-UHFFFAOYSA-N 380.307 4.508 0 40 GJAB O=C(/C=C/c1ccccc1Br)N1CCc2[nH]c3ccccc3c2C1 9901829 XSPRXGOTOVOBGJ-MDZDMXLPSA-N 381.273 4.529 0 40 GJAB C[C@@H](NC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc2c(c1)OCO2 10358880 OXSPUMQTJXLOMR-CQSZACIVSA-N 384.457 4.543 0 40 GJAB CCCOc1ccc(OCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 11072995 AARQGOSRIBJQTG-UHFFFAOYSA-N 390.483 4.651 0 40 GJAB CC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c1 12865193 SSQYUNKGAJEOOH-UHFFFAOYSA-N 377.425 4.715 0 40 GJAB C[C@@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)c1ccc(F)c(F)c1 13010768 ILBNUEXGSVDXTM-GFCCVEGCSA-N 389.423 4.712 0 40 GJAB O=C(O)c1ccc(CNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 13166258 JWYXZFSBXNYZGI-UHFFFAOYSA-N 380.252 4.836 0 40 GJAB COc1ccc(O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 14397676 WQLZILOQZOUJTK-IBGZPJMESA-N 375.468 4.692 0 40 GJAB Cc1cccc(C)c1NC1=NN=C(c2ccc(NC(=O)C(C)C)cc2)CS1 15404128 IADRBMJNOLXNBN-UHFFFAOYSA-N 380.517 4.817 0 40 GJAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccsc2)cc1 15412977 ZBIGFCKQDGPAOU-JOCHJYFZSA-N 390.508 4.794 0 40 GJAB O=C(CSc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 16781336 LNJDYDVVBMRFNK-UHFFFAOYSA-N 388.964 4.734 0 40 GJAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cn3cc(Cl)cn3)n2)cc1 17080730 FNJCHJYCVBOFJT-UHFFFAOYSA-N 394.862 4.590 0 40 GJAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(OCc2ccccc2)cc1 20144986 IWROQFUNHHAIKC-UHFFFAOYSA-N 381.815 4.870 0 40 GJAB CCOC(=O)Nc1ccc2c(CN3CCC[C@@H]3c3cccs3)cc(=O)oc2c1 25424059 NBRDFACTBAKEED-QGZVFWFLSA-N 398.484 4.760 0 40 GJAB C[C@H]1CCCN(Cc2csc(NC(=O)COc3ccc4ccccc4c3)n2)C1 28683500 PTWINOFEHVKKKJ-INIZCTEOSA-N 395.528 4.546 0 40 GJAB c1ccc([C@H](NCc2cccc(OCc3ccccn3)c2)c2ccccn2)cc1 30544686 KBOAZTGUBJJFAQ-VWLOTQADSA-N 381.479 4.935 0 40 GJAB CCCCCc1nnc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)s1 31276573 OJSSBINNACBIBS-UHFFFAOYSA-N 376.507 4.856 0 40 GJAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)no2)cc1C 32623515 RGQOGJOYVDDJKI-JOCHJYFZSA-N 389.499 4.525 0 40 GJAB Cc1ccc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)cc1F 32876687 MAQMPYMWXWRTJY-UHFFFAOYSA-N 383.444 4.561 0 40 GJAB Cc1cc(C(=O)NCc2ccccc2Cl)c2c(-c3ccc(F)cc3)noc2n1 36613329 AJPRFDKVUKIADN-UHFFFAOYSA-N 395.821 4.921 0 40 GJAB COc1ccc2cc([C@H]3CC(c4ccc(F)cc4)=NN3C(C)=O)c(Cl)nc2c1 69351379 OBSOCGICXUQUFX-HXUWFJFHSA-N 397.837 4.734 0 40 GJAB FC(F)(F)c1cccc(-c2cncc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 72359409 SJVQDJJZMCHRCP-SFHVURJKSA-N 398.432 4.937 0 40 GJAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 72397177 OOEHXHHVENESOG-FRRDWIJNSA-N 395.450 4.586 0 40 GJAB Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H]1CCCC[C@@H]1OCCC(C)C 89548262 JCPAMNVCOYFEIJ-MJGOQNOKSA-N 390.549 4.744 0 40 GJAB Cc1ccc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)o1 96038320 CJUJTHMGBHTKMW-UHFFFAOYSA-N 387.487 4.754 0 40 GJAB O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC[C@@H]2CCCC[C@H]21 97212381 RHSCKMQKTDWJCS-SWLSCSKDSA-N 379.382 4.550 0 40 GJAB COc1ccccc1NC(=O)[C@@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C 100641870 OUQBEFBPZPPCCK-DNQXCXABSA-N 387.483 4.606 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C(C)C 223796583 WMJFVZCFSSXYKV-IBGZPJMESA-N 375.896 4.816 0 40 GJAB C[C@H](NC(=S)Nc1ccc(N2CCc3ccccc3C2)nc1)c1ccccc1 223958264 XLDPYWBGXOOREO-KRWDZBQOSA-N 388.540 4.692 0 40 GJAB COc1cccc(OCc2cc(C(=O)NCCC3=CCCCC3)ccc2OC)c1 224249999 MNMHNXNPCIMPRA-UHFFFAOYSA-N 395.499 4.903 0 40 GJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 224711776 JUYFEKRLUMMMIF-IERDGZPVSA-N 379.500 4.751 0 40 GJAB S=C(NCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Cl)c1 225820242 LMXQFCXNGKEBOB-UHFFFAOYSA-N 379.272 4.530 0 40 GJAB O=C(N[C@]1(C(=O)O)CC2CCC1CC2)OCC1c2ccccc2-c2ccccc21 253187823 VMAZQTMZEUFSRF-KQPQDQJMSA-N 391.467 4.559 0 40 GJAB CCc1nnc(Nc2cccc([C@H]3CCCN(C(=O)CC4CCCC4)C3)n2)s1 257216851 CWISQVNMVZHRQE-INIZCTEOSA-N 399.564 4.525 0 40 GJAB CC(C)Sc1ccc(CC(=O)NCc2ccnc(-c3ccncc3)c2)cc1 390827912 LVWGFFXQSNWVKD-UHFFFAOYSA-N 377.513 4.503 0 40 GJAB CCCOc1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)cc1 408801544 VNFWIKVPSVYSSU-UHFFFAOYSA-N 383.493 4.555 0 40 GJAB O=C([C@H]1CC12CCOCC2)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 618963245 AFSJWCQTTSAGNO-IEBWSBKVSA-N 387.932 4.692 0 40 GJAB FC(F)(F)COCc1ccc(-c2noc(-c3ccc4c(c3)CCOC4)n2)cc1 664739539 RZXKALRFEYEWIE-UHFFFAOYSA-N 390.361 4.555 0 40 GJAB O=C(CCc1nc(O)c2ccccc2n1)N1CCC[C@@H]1CCC1CCCCC1 676064488 SCADWBIZWVMSGV-GOSISDBHSA-N 381.520 4.620 0 40 GJAB Cc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1 669812 VTBATXMCMNPRRB-UHFFFAOYSA-N 387.464 4.930 0 40 GJAB O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccccc1)c1ccccn1 805382 RXQIOWMTEFXDQC-UHFFFAOYSA-N 393.295 4.784 0 40 GJAB CCOc1ccc(NC(=O)CSc2cc(C)c3ccc(OC)cc3n2)cc1 943205 ATKGKQFOGCJWCG-UHFFFAOYSA-N 382.485 4.681 0 40 GJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(Cl)cc1 949596 YWWWHSBGXROQCQ-UHFFFAOYSA-N 384.819 4.595 0 40 GJAB CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(Cl)cc23)cc1 954341 DMNIXFVOOPRRPA-UHFFFAOYSA-N 398.846 4.985 0 40 GJAB CSc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)cc1 1060474 KZODSONXMDTHDH-NYYWCZLTSA-N 395.265 4.665 0 40 GJAB Nc1c(C(=O)Nc2cccc3ccccc23)sc2nc3c(cc12)C(=O)CCC3 1306849 KJFWGPLKTISRPF-UHFFFAOYSA-N 387.464 4.803 0 40 GJAB CCOc1ccc2nc(Cl)c(CN(CCc3ccccc3)C(C)=O)cc2c1 1367896 VWHKVQRMNBDJTQ-UHFFFAOYSA-N 382.891 4.878 0 40 GJAB NC(=O)[C@H](c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 1385502 CGODDVNAPDQFMY-LLVKDONJSA-N 383.584 4.678 0 40 GJAB CN[C@@H](CC(C)C)C(=O)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1 2007439 QGJKMAIASNMXFI-QFIPXVFZSA-N 388.502 4.627 0 40 GJAB in-vivo COc1ccccc1-c1c(NC(=O)c2ccccc2C)n(C)c2ccccc2c1=O 2199107 KFAQCUVQCAIYAU-UHFFFAOYSA-N 398.462 4.775 0 40 GJAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1cccc2ncccc12 2657063 ZSVMDDGNSJVIKF-UHFFFAOYSA-N 384.435 4.831 0 40 GJAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1c(F)cccc1Cl 3008137 QESDLPNTABVRIU-UHFFFAOYSA-N 391.830 4.803 0 40 GJAB COc1ccc(-c2nc3cccc(C)n3c2NCc2ccc3c(c2)OCO3)cc1 4848465 WSBVTBCRSPBJMY-UHFFFAOYSA-N 387.439 4.659 0 40 GJAB COc1ccc2ccccc2c1/C=C/[C@@]12NC(=O)CCN1c1ccccc1C2(C)C 5164628 KSWCIZGTJPSAEQ-ZRVKMLQASA-N 398.506 4.876 0 40 GJAB Cc1ccc([C@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(Br)cc2)cc1 5818329 XWJVUKXMIRJWLR-SFHVURJKSA-N 382.261 4.539 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(Br)c(Cl)c2)c1 6504249 DLFPZZRRNLXLPM-UHFFFAOYSA-N 383.698 4.538 0 40 GJAB Cc1nnc(S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)O)[nH]1 6588284 BRPDFBMYLZUTBA-JYRVWZFOSA-N 393.877 4.729 0 40 GJAB Cc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c(C)n1-c1ccnn1C(C)C 7088386 TYFSXCFXUNUANQ-JOCHJYFZSA-N 389.503 4.600 0 40 GJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1 7882554 WSKXBZHQHMPVMQ-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H]1c1nc2ccccc2s1 7987097 GYYAXRGQZNTJNP-LLVKDONJSA-N 384.935 4.537 0 40 GJAB CCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 8339092 RKHMGADKQQRPDE-UHFFFAOYSA-N 392.887 4.618 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 8497080 KXPUPEZWOQEPMO-HXUWFJFHSA-N 398.478 4.684 0 40 GJAB CCOc1cccc(NC(=O)CSCc2ccc(Br)cc2)c1 10294230 KPBIGQSXSJGGBY-UHFFFAOYSA-N 380.307 4.720 0 40 GJAB O=c1c2cc(Cl)ccc2ncn1Cc1csc(-c2ccc(Cl)cc2)n1 11517908 HDPZEBJPMLZHHY-UHFFFAOYSA-N 388.279 4.875 0 40 GJAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12578402 XDDMMLLAOVQBKO-QFIPXVFZSA-N 397.478 4.972 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc(-c2ccccc2)cs1 12807981 PLRGOHOKQLSZDD-FQEVSTJZSA-N 389.480 4.713 0 40 GJAB COC(=O)c1ccc(CN(C)c2nc(-c3ccsc3)nc3ccccc23)cc1 12940054 ILZNTRWWXNTIBA-UHFFFAOYSA-N 389.480 4.781 0 40 GJAB C[C@@H](O)CN(Cc1ccc(-c2ccc(F)cc2)cc1)Cc1ccc2c(c1)OCO2 13991954 YKNVHOYEWODJAT-QGZVFWFLSA-N 393.458 4.604 0 40 GJAB CCN(CC)Cc1ccccc1CNC(=O)Cc1csc(-c2ccccc2)n1 14197597 XHVJJTDJIROIPG-UHFFFAOYSA-N 393.556 4.511 0 40 GJAB CNC(=O)c1c(NC(=O)Cc2coc3cc(C)cc(C)c23)sc2c1CCCC2 16750868 JGZPCBXFMBHKMM-UHFFFAOYSA-N 396.512 4.531 0 40 GJAB Cc1nn(C)cc1-c1cc(C(F)F)c2c(C3CC3)nn(-c3ccccc3)c2n1 17077536 WFDGMJZLUNKVOB-UHFFFAOYSA-N 379.414 4.944 0 40 GJAB CCc1oc2ccccc2c1CN1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 19521352 VXFIGXLXWLUVBQ-UHFFFAOYSA-N 394.490 4.762 0 40 GJAB Cc1c(C(=O)N[C@H](CCN(C)C)c2ccccc2)n(C)c2ccc(Cl)cc12 19659564 YMTIXBARNLTDGS-LJQANCHMSA-N 383.923 4.563 0 40 GJAB CC(C)c1noc(CCC(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)n1 19663901 KYBHLZSEAOPHSY-UHFFFAOYSA-N 381.480 4.619 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCC(C)CC2)cc1 20381336 FEHLAWLWNCRMOD-UHFFFAOYSA-N 398.503 4.751 0 40 GJAB COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 22075711 JRAWRVHSVGLXSU-OAQYLSRUSA-N 397.902 4.751 0 40 GJAB O=C(Nc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 23054909 ZFDARWGDVMDZKG-CHWSQXEVSA-N 396.434 4.851 0 40 GJAB COc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1OCc1cscn1 23081354 NGYRUZGGOBHPOY-IBGZPJMESA-N 394.496 4.538 0 40 GJAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1csc(Nc2ccccc2)n1 25672089 NSDREGANDJQZOA-UHFFFAOYSA-N 385.798 4.769 0 40 GJAB CCOc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3ccncc3)s2)cc1 28941222 AODIQWFYQYTWBY-IBGZPJMESA-N 393.512 4.890 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2cc(OC)ccc2OC)cc1 30948447 YLOCCJMJYSCGDN-QFIPXVFZSA-N 397.515 4.789 0 40 GJAB O=C(NCc1cccc(OCc2ccccn2)c1)c1cccc(Cl)c1Cl 32930586 LDQQZLUHYAPHCN-UHFFFAOYSA-N 387.266 4.897 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-c2coc(C)n2)cc1 40052073 HVSZAXGXAJYTPF-QFIPXVFZSA-N 387.439 4.553 0 40 GJAB CCOc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2CC)cc1OCC 40093411 PXKSUBGEPNISQI-UHFFFAOYSA-N 393.487 4.544 0 40 GJAB CC(=O)c1ccc(N2CCN(Cc3csc(C4CCCCC4)n3)CC2)cc1 40105810 KWNTYQPBWVFRMQ-UHFFFAOYSA-N 383.561 4.716 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3c(C)nn(C)c3C)c3ccccc3n2)cc1 40162099 KMZRNNSPAASLLV-UHFFFAOYSA-N 386.455 4.513 0 40 GJAB CN(Cc1cccnc1)C[C@@H]1CCCN(C(=O)Nc2cccc3ccccc23)C1 58343525 VTJAJAIGHWSCPL-FQEVSTJZSA-N 388.515 4.611 0 40 GJAB O=C(Nc1ccccc1N1CCCCC1)N[C@@H]1CCCOc2ccc(F)cc21 65437570 RCBKVPCFBPKJNK-GOSISDBHSA-N 383.467 4.851 0 40 GJAB Cn1c(CCCNc2nc(-c3cccnc3)nc3ccccc23)nc2ccccc21 72307704 UAQVSJMDXFVVEY-UHFFFAOYSA-N 394.482 4.623 0 40 GJAB COc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)nc2c(C)cc(F)cc12 72329519 OPKMQNIVJGWPRC-UHFFFAOYSA-N 392.352 4.640 0 40 GJAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN(Cc3cnn(C)c3C)C2)n1 72353981 AUEGDZMJTOTZPO-NRFANRHFSA-N 392.522 4.541 0 40 GJAB COc1ccc(-c2c(NC(=O)c3cccs3)oc3ccccc3c2=O)cc1 101192113 YNVLFHZQDSONKJ-UHFFFAOYSA-N 377.421 4.782 0 40 GJAB COc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccccc2)cc1Cl 109125313 OSZOFYNMCXDVPQ-UHFFFAOYSA-N 387.888 4.841 0 40 GJAB Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc(F)c(Cl)c2)cs1 206908934 ODIRWNFQUBZJRO-UHFFFAOYSA-N 382.869 4.712 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]2)c1 216027686 NKLYOMQIYQXENI-UHFFFAOYSA-N 392.406 4.530 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219378120 QSBVOPSWRRPWCP-VQTJNVASSA-N 397.515 4.888 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(C)c(Cl)c1 224164400 HUDLKAUYEOBBMO-KRWDZBQOSA-N 382.287 4.654 0 40 GJAB CCCc1ccc(OCCNC(=O)c2cc(Br)ccc2Cl)cc1 225075165 CUXFVZXONWPBSW-UHFFFAOYSA-N 396.712 4.864 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OCC 225683102 FSWURTCXIRREOS-UHFFFAOYSA-N 399.462 4.852 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)N[C@@H](C)CC 225748158 VXVAMZHDXNHHHQ-SUMWQHHRSA-N 387.351 4.815 0 40 GJAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(F)c(F)c2)cc1OCC 225750721 RLUNIFQEGCKXIW-GFCCVEGCSA-N 380.460 4.810 0 40 GJAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NCCC1=CCCCC1 225827153 XCTFGJOBDCZBGF-UHFFFAOYSA-N 375.472 4.829 0 40 GJAB COc1ccc(-n2cccc2CNC(=O)c2ccc3nc(Cl)sc3c2)cc1 225985135 CWYZLFXCKUSZPO-UHFFFAOYSA-N 397.887 4.679 0 40 GJAB O=C(C(c1ccccc1)c1ccccc1)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2 253471959 GTMXNKYSHOTYFE-VXKWHMMOSA-N 398.506 4.815 0 40 GJAB C[C@H]1[C@H](C)CCC[C@H]1n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 253568250 KZAQLJAAZKBOPK-QEEYODRMSA-N 390.462 4.848 0 40 GJAB NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 257211904 CAZWWHILWICBGC-QAQDUYKDSA-N 398.572 4.971 0 40 GJAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)c2)cc1 257314834 UYRACWOSQMAILP-HXUWFJFHSA-N 378.516 4.962 0 40 GJAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1cc(-c2cccs2)[nH]n1 390825911 PIRCUOCCHUXDMK-UHFFFAOYSA-N 385.452 4.705 0 40 GJAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccccc3Cl)sc2c1 408625596 FAEVCJJXHVVJRL-UHFFFAOYSA-N 375.906 4.693 0 40 GJAB Cc1c(NC(=S)NC(=O)c2ccccc2)cccc1-c1nc2ccccc2o1 681057 PIRIAESXQYKALL-UHFFFAOYSA-N 387.464 4.930 0 40 GJAB Nc1c(C(=O)NCc2ccc(Cl)cc2)sc2nc(-c3ccncc3)ccc12 803918 VDEFADNQFPVXOB-UHFFFAOYSA-N 394.887 4.524 0 40 GJAB CN(C)C(=O)N[C@@H](Oc1ccc(Cl)c2ccccc12)C(Cl)(Cl)Cl 825915 UOYLOQXCDYQJNB-ZDUSSCGKSA-N 396.101 4.840 0 40 GJAB Cc1cc(Cl)ccc1Nc1ncnc2ccc(I)cc12 955110 OAPUNCWBVSRGPA-UHFFFAOYSA-N 395.631 4.940 0 40 GJAB COc1ccc([C@H]2SCCN2C(=S)Nc2ccc(OC)c(Cl)c2)cc1 1441204 UGHCKBOVMNFQKF-QGZVFWFLSA-N 394.949 4.802 0 40 GJAB Clc1ccc(-n2ncc3c2ncn2c(C4CCCCC4)nnc32)cc1Cl 2400551 PCJYDNKFTMLCOO-UHFFFAOYSA-N 387.274 4.818 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccco4)cc3)sc2c1 3239554 UQMPQEMJRZIKQF-UHFFFAOYSA-N 392.436 4.660 0 40 GJAB aggregator C[C@@H]1CCCC[C@H]1NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 3445117 XSYQNCCMPJIIMD-BXUZGUMPSA-N 397.566 4.589 0 40 GJAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C(C)C)cc1 5100901 UMBFGWSVXWGLKB-LVXARBLLSA-N 375.449 4.896 0 40 GJAB Cn1c(NC(=O)c2cccs2)c(-c2ccccc2F)c(=O)c2ccccc21 5346062 CHRAJLHUZNBNOY-UHFFFAOYSA-N 378.428 4.658 0 40 GJAB CCC(CC)NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 5688622 AQFZMJFVYYHBOA-UHFFFAOYSA-N 398.528 4.527 0 40 GJAB COc1cc(CCC(=O)OCc2cccc3ccccc23)cc(OC)c1OC 5692963 PUVVIVRXXPYDQJ-UHFFFAOYSA-N 380.440 4.542 0 40 GJAB COc1cccc(-c2nc(COC(=O)CCC(=O)c3cccs3)cs2)c1 5831491 KCZAVMVREZWPEW-UHFFFAOYSA-N 387.482 4.587 0 40 GJAB Sc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4 6104880 WWTDWSGRMWRRJZ-UHFFFAOYSA-N 384.555 4.799 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@@H]3CCCC[C@H]3C)c2n1 6547128 URMJRJFLOISXIV-BDJLRTHQSA-N 381.303 4.924 0 40 GJAB C[C@H]1CCc2sc3ncnc(N4CCN(c5ccccc5Cl)CC4)c3c2C1 6571201 VDWBPRGMNHBOBV-AWEZNQCLSA-N 398.963 4.796 0 40 GJAB Cc1cc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)ccc1Cl 6736986 CSPWBXBMIMUARJ-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB O=C(Nc1nnc(Cc2ccccc2)s1)C(c1ccccc1)c1ccccc1 6790233 GNBJAYSIQAUXLA-UHFFFAOYSA-N 385.492 4.900 0 40 GJAB Cn1c(Cl)cnc1CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 6922962 FLBMYLDBUMXREY-UHFFFAOYSA-N 399.882 4.753 0 40 GJAB O=C(CCSCc1ccccc1)Nc1ccc(I)cc1 7685494 PWUVCJWEDGCIEO-UHFFFAOYSA-N 397.281 4.553 0 40 GJAB CCCCC(=O)OCC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 7813729 OHUCKUQTNSOPTR-UHFFFAOYSA-N 391.471 4.520 0 40 GJAB O=C(Nc1cccc(N2CCCC2=O)c1)C1c2ccccc2Oc2ccccc21 7923894 ISSYOMVSMXCVQV-UHFFFAOYSA-N 384.435 4.690 0 40 GJAB COc1ccc(-c2csc3ncnc(NCc4ccc5c(c4)OCO5)c23)cc1 8492868 DEYKHGIOPPQTJA-UHFFFAOYSA-N 391.452 4.708 0 40 GJAB O=C(OCc1nccn1C(F)F)c1cc(-c2cccs2)nc2ccccc12 8704658 USLBYWJXAZFSAH-UHFFFAOYSA-N 385.395 4.912 0 40 GJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(OCc2ccccc2)cc1 8751165 QYDUTDXOASUFIN-UHFFFAOYSA-N 389.451 4.658 0 40 GJAB CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(OCC)cc1 9427402 YOLVUFHBSJBNOZ-UHFFFAOYSA-N 378.472 4.569 0 40 GJAB O=C(Nc1nc(CN2CCCCC2)nc2ccccc12)c1cc2ccccc2o1 11164985 PRYDBCPWPKIZTK-UHFFFAOYSA-N 386.455 4.614 0 40 GJAB CN1CCC[C@@H]1CCn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21 12233904 YPNONDSQKUDLOL-MRXNPFEDSA-N 385.870 4.544 0 40 GJAB COc1ccc(-c2cc(-c3nn4c(-c5sccc5C)nnc4s3)no2)cc1 12408413 SIKWJSFNWHLYAW-UHFFFAOYSA-N 395.469 4.553 0 40 GJAB O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 12420936 MNWOCSUKATWQLW-KRWDZBQOSA-N 390.493 4.744 0 40 GJAB O=C(OCc1coc(-c2ccccc2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1 12535625 BBWSASREVFTOPP-UHFFFAOYSA-N 379.803 4.742 0 40 GJAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CCSc2c(F)cccc21 12548977 AIOQAMQUYPYEMW-HXUWFJFHSA-N 380.488 4.887 0 40 GJAB CCOc1ccccc1[C@@H]1c2cc3c(cc2O[C@](C)(N2CCCC2)[C@H]1C)OCO3 13144072 LPWYMVXRDVBDOS-GHEQTVGYSA-N 395.499 4.786 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nncn2C2CC2)c2ccccc2)c1 14085999 RUKYIHVYAWRKSF-IBGZPJMESA-N 378.501 4.702 0 40 GJAB Cc1ccc([C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)cc1 18086799 ZDZIIWQEADWNNO-DEOSSOPVSA-N 384.479 4.641 0 40 GJAB O=c1oc2ccc(Cl)cc2n1[C@@H]1CCCN(Cc2ccnc3ccccc23)C1 19376088 WUUZUQCMKISQMV-QGZVFWFLSA-N 393.874 4.633 0 40 GJAB Brc1ccc(CN2CCN(Cc3cccc4ccccc34)CC2)cc1 19900174 AQXLQUZBIVZSQL-UHFFFAOYSA-N 395.344 4.920 0 40 GJAB CSc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 20029888 RVTWTRJHOPVTGV-JTQLQIEISA-N 376.330 4.755 0 40 GJAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccccc1F)CO3 20610423 CITMRWDITDAYCF-UHFFFAOYSA-N 387.410 4.951 0 40 GJAB biogenic O=C(COC(=O)CCc1ccsc1)Nc1ccc(Cl)cc1C(F)(F)F 22155325 XKDKZLYAJBQYCM-UHFFFAOYSA-N 391.798 4.535 0 40 GJAB COc1cc(OC)c(C2=CCN(C(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)CC2)c(OC)c1 22186231 FYPXXRAFUKYFSJ-XMSQKQJNSA-N 399.531 4.567 0 40 GJAB COc1ccccc1[C@H](CNC(=O)c1cccc(Cl)c1Cl)N1CCCC1 23692027 BITBGYHICWDXIP-KRWDZBQOSA-N 393.314 4.569 0 40 GJAB O=c1[nH]c(CN2CCC[C@H]2c2ccc(F)cc2)nc2scc(-c3ccco3)c12 25444602 POHZTDSZYSXKAK-INIZCTEOSA-N 395.459 4.721 0 40 GJAB CCCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1 27749496 GEQRJRKXHIPLEE-QHCPKHFHSA-N 380.532 4.741 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 28838896 ZASUZSIRFABKHQ-UHFFFAOYSA-N 379.441 4.732 0 40 GJAB O=C(CCn1cnc2ccccc21)NCCC(c1ccccc1)c1ccccc1 29634021 AEPSNAZPRHDNGD-UHFFFAOYSA-N 383.495 4.765 0 40 GJAB CSc1ccccc1NC(=O)CCN1CCC[C@H](c2nc3ccccc3o2)C1 29828574 CXGLHCLTISEDEY-INIZCTEOSA-N 395.528 4.758 0 40 GJAB COc1ccc(C)cc1NC(=O)c1nn(-c2ccc(C)c(F)c2)c2c1CCCC2 31483325 HZIHOPXGVUICLB-UHFFFAOYSA-N 393.462 4.768 0 40 GJAB Cc1cccc(C)c1NC(=O)CCCSCCC(=O)N1CCc2ccccc21 32778699 HTXZMANKWFKRHR-UHFFFAOYSA-N 396.556 4.735 0 40 GJAB COC(=O)c1ccc(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)cc1 35586213 NLGFUJBTCFAJNX-UHFFFAOYSA-N 390.823 4.642 0 40 GJAB CCN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C1C2CC3CC(C2)CC1C3 40090294 MFCUYWNUKYLHBU-OAWJIPTQSA-N 383.532 4.531 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCC(=Cc4cccc(F)c4)CC3)[nH]n2)cc1 40135192 UYMNQWVHIQXLNV-UHFFFAOYSA-N 375.447 4.844 0 40 GJAB O=C(Nc1cccc2c1CCCC2)c1cccc(N2C(=O)c3ccccc3C2=O)c1 40159401 DLSCGEWOTKWINB-UHFFFAOYSA-N 396.446 4.618 0 40 GJAB O=C(NCC1CCN(Cc2ccsc2)CC1)Nc1cccc(C(F)(F)F)c1 43972247 GBVFLUDCKDIIOO-UHFFFAOYSA-N 397.466 4.801 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2nccn2C)ccc1C(C)C 44369912 CBCDABIQNHXJFT-AVRDEDQJSA-N 391.515 4.525 0 40 GJAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(CN2CCOCC2)c1 44904296 XIBDSGAGHUTIIP-UHFFFAOYSA-N 399.705 4.731 0 40 GJAB COc1ccc(N(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)[C@@H](C)C2CC2)cc1 58158910 RDRNTNYQTKTJSR-GAJHUEQPSA-N 395.499 4.698 0 40 GJAB C[C@@H]1CCCCN1C(=O)c1cc(Cl)c(I)c(Cl)c1 59842955 NWSOOAUIRRYFQM-MRVPVSSYSA-N 398.071 4.613 0 40 GJAB O=C(Nc1cnn(CC(F)F)c1)Nc1sc(C2CC2)nc1-c1ccccc1 89851074 JILVFOXBIMGWCO-UHFFFAOYSA-N 389.431 4.793 0 40 GJAB COc1ccsc1C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 95950609 XLRGMYOTYJPNOG-UHFFFAOYSA-N 396.497 4.533 0 40 GJAB O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119103 IEVSKDKBVVLTSE-GFCCVEGCSA-N 388.880 4.863 0 40 GJAB O=C(Nc1ccccc1)N1C[C@@H]2CN(CC(c3ccccc3)c3ccccc3)[C@H]2C1 96244927 VGBVRAUDLWKVSQ-DHLKQENFSA-N 397.522 4.667 0 40 GJAB O=C(Nc1cccc(Cl)c1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100789681 VNZACHDXGSNDAD-DEPWHIHDSA-N 385.939 4.767 0 40 GJAB biogenic Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3c(C)cc(C)cc3C)C2=O)cc1 111507783 CDYWTNMACSVLGP-ODLFYWEKSA-N 394.496 4.595 0 40 GJAB O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1cc(-c2ccccc2)on1 211084369 HOYVCRUMYSTABZ-UHFFFAOYSA-N 394.477 4.626 0 40 GJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(OC)c(OC)c1 222857193 ZVVBZISQKLUQTJ-KSSFIOAISA-N 391.895 4.700 0 40 GJAB COc1cc(C)c(S(=O)(=O)NCCSc2ccc(C)cc2)cc1C(C)C 223086554 NSZRMXFCNPZZAP-UHFFFAOYSA-N 393.574 4.506 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 223693849 IJJWHNYUXRIFJL-AOMKIAJQSA-N 397.515 4.617 0 40 GJAB O=C(NCC1=CCCCC1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 224544215 DWUYHDHBTVKTGO-UHFFFAOYSA-N 381.347 4.822 0 40 GJAB C[C@H](CNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 224549366 KFGAFHMGVQWUNM-MRXNPFEDSA-N 388.914 4.611 0 40 GJAB CCOCc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCC 224694974 VKVHHEROZHHCEE-UHFFFAOYSA-N 378.266 4.637 0 40 GJAB CCOC(=O)C(CNC(=O)OC(C)(C)C)=C(c1ccccc1)c1ccccc1 225750030 RMHQFVBCTLOYPR-UHFFFAOYSA-N 381.472 4.576 0 40 GJAB CCOc1cccc(NC(=S)N[C@H](C)c2ccc(OCC)c(OCC)c2)c1 225751008 SXOPPMCIRYDCRY-OAHLLOKOSA-N 388.533 4.930 0 40 GJAB CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 239402685 QZNQTLPLRIJJML-JUKMUDQWSA-N 397.302 4.743 0 40 GJAB COc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1ccccc1F 408608205 KVVTXRZHHXRWRX-UHFFFAOYSA-N 381.403 4.724 0 40 GJAB Cc1cccc(C)c1OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408650769 BQEJMNKUJYQVOH-CYBMUJFWSA-N 378.255 4.569 0 40 GJAB CC(C)c1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1 1360240 FFPPHJLKHDGNSQ-HXUWFJFHSA-N 375.472 4.880 0 40 GJAB CSCC[C@@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O 1900834 VNUFJGXQRBFQHB-OAHLLOKOSA-N 393.468 4.661 0 40 GJAB CCCCc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 1909281 VMDWVMJRGZYARS-NRFANRHFSA-N 392.499 4.679 0 40 GJAB Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)cc1 2255060 OFVXSMFLAUYTFJ-XZOQPEGZSA-N 396.425 4.630 0 40 GJAB CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cccc(C(F)(F)F)c1 2377632 CAIXSQJIRHDHCR-UHFFFAOYSA-N 390.361 4.924 0 40 GJAB Cc1ccc(SCCNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)cc1C 2631343 ZXTPNQDBDNRENY-FXAWDEMLSA-N 393.980 4.777 0 40 GJAB COc1cc(NC(=O)c2sc3ccccc3c2Cl)cc(OC)c1OC 2726446 YLEMQOSYEIXFBX-UHFFFAOYSA-N 377.849 4.833 0 40 GJAB O=C(/C=C/c1cccs1)N(C1CC1)C1(C(=O)Nc2ccccc2)CCCC1 3258340 CZGQMSOYTQBSMJ-OUKQBFOZSA-N 380.513 4.704 0 40 GJAB C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3278559 KGCMWXNQCXPFCF-QMMMGPOBSA-N 388.634 4.536 0 40 GJAB O[C@](Cn1cnc(Cl)c1Cl)(c1ccc(F)cc1)c1ccc(Cl)cc1 4105204 XTHWQCQINJXNCB-KRWDZBQOSA-N 385.653 4.919 0 40 GJAB COc1ccc2c(c1)Cc1sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc1-2 4281712 CWEVEJNEPGOAEB-UHFFFAOYSA-N 380.513 4.878 0 40 GJAB O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccc(Cl)cc1 4341626 QCDGZQBEMYYWKX-UHFFFAOYSA-N 398.850 4.583 0 40 GJAB Cc1ccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)c(C)c1 4392179 CPBIGKRRRGDLGN-UHFFFAOYSA-N 384.530 4.565 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CC[C@@H](CC)C2 4558279 KKRNCEFKOCIBFM-CYBMUJFWSA-N 387.501 4.701 0 40 GJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@@H]1c1ccccc1 4816738 SUFCZIBXMCTZON-NHCUHLMSSA-N 390.487 4.544 0 40 GJAB CCCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccoc1C 4860622 VVRZLEFRCXXXLX-UHFFFAOYSA-N 388.468 4.517 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)s2)c1 4878609 YFZRJQUUZHMQNQ-YCPHGPKFSA-N 390.578 4.623 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 5204105 ZMOMMFSJGGCCNB-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1 5864728 MWSYKNLLVFPTOL-QGZVFWFLSA-N 394.515 4.765 0 40 GJAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(Cl)cc1 6038260 KBXTYJGZANDWMN-UHFFFAOYSA-N 380.831 4.879 0 40 GJAB O=C(Nc1ccccc1)Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1 6752704 HDXRFGMFRXJWHP-UHFFFAOYSA-N 389.503 4.829 0 40 GJAB COc1ccccc1NC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 6938526 PYHDCQQHCIOHCT-UHFFFAOYSA-N 379.391 4.731 0 40 GJAB C[C@@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)Nc1ccccc1 7547087 SHJHTXDGQCTEGT-OXQOHEQNSA-N 389.524 4.978 0 40 GJAB O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc(F)cc1 7573184 IRDOSKOCQYILDQ-UHFFFAOYSA-N 376.435 4.525 0 40 GJAB O=S(=O)(N[C@H](c1ccccc1)c1cccs1)c1ccc(Cl)cc1F 7702206 IKDZKSPPGLCCHY-QGZVFWFLSA-N 381.881 4.609 0 40 GJAB CCn1nnc2cc(C(=O)Nc3cc4oc5ccccc5c4cc3OC)ccc21 7777365 MCSYEKJXJCJEBW-UHFFFAOYSA-N 386.411 4.612 0 40 GJAB O=C(Nc1ccccc1SCc1ccsc1)[C@H]1COc2ccccc2O1 8187889 XYVOSPIWYNRBBO-GOSISDBHSA-N 383.494 4.819 0 40 GJAB COc1ccccc1-c1nnc(SCC(=O)c2ccc3ccccc3c2)o1 8193259 VDNQQAIOXZOBHK-UHFFFAOYSA-N 376.437 4.873 0 40 GJAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 8329085 BJRYZFKRKZNDBA-UHFFFAOYSA-N 385.847 4.983 0 40 GJAB Cc1c(Cl)cccc1-c1ccc(CNn2c(-c3ccncc3)n[nH]c2=S)o1 8548500 BYKZWJUTNVQWST-UHFFFAOYSA-N 397.891 4.968 0 40 GJAB O=C(OC[C@H]1CCCO1)c1cccc(COc2cc(Cl)ccc2Cl)c1 8983726 XTMIUOGJLUVNSR-MRXNPFEDSA-N 381.255 4.908 0 40 GJAB CCCCc1ccc(NC(=O)COC(=O)c2cc(Cl)nc(Cl)c2)cc1 9477109 JABFWEFNIAWRDJ-UHFFFAOYSA-N 381.259 4.527 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccc3c(c2)OCO3)c2ccccc2)c1 9607632 QEXYCNOYYRHSMJ-QHCPKHFHSA-N 388.467 4.502 0 40 GJAB Cc1c(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)oc2ccc(F)cc12 11751867 WJPVMHCFMIPBEF-UHFFFAOYSA-N 384.388 4.514 0 40 GJAB O=C(c1cccc(F)c1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 12422070 QUJDSOCBUHICTO-HSZRJFAPSA-N 396.425 4.760 0 40 GJAB O=C(c1cc(Cl)c2nc3cc(Cl)ccc3n2c1)c1cc(F)ccc1O 12546234 HCEBKCMTXDYZIM-UHFFFAOYSA-N 375.186 4.870 0 40 GJAB Cc1cc(C)c2nc(SCC(=O)N3CCc4ccccc4C3)cc(C)c2c1 12546963 SVZIKGMWYREABM-UHFFFAOYSA-N 376.525 4.837 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1ccccc1)c1ccccn1 12558244 VEBMZWLORLPFHA-QHCPKHFHSA-N 397.478 4.579 0 40 GJAB COc1ccc(OCCN(C)Cc2c(-c3ccccc3)nc3sccn23)cc1 12628152 RLYGIZFJWAQJJW-UHFFFAOYSA-N 393.512 4.582 0 40 GJAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(F)cc1Cl 12994952 JVTIQXHTVRMISL-IBGZPJMESA-N 392.858 4.997 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1OC 12995407 CRGRSBNIDSQODT-UHFFFAOYSA-N 395.440 4.529 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 13684644 TXLSNRQYPMKJEJ-UHFFFAOYSA-N 388.467 4.658 0 40 GJAB O=C(CCSCc1ccccc1)Nc1ccccc1C(=O)N1CCCCC1 13688148 VIGPILWBMORWBO-UHFFFAOYSA-N 382.529 4.575 0 40 GJAB CCCCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1C(C)C 13691453 VZFFNBQVQKEVMQ-UHFFFAOYSA-N 376.522 4.647 0 40 GJAB CCCCn1nc(NC(=O)c2ccc(F)cc2)c2cc3cc(OC)ccc3nc21 17249575 WPEBQFGRJXPISL-UHFFFAOYSA-N 392.434 4.785 0 40 GJAB CC(C)c1ccc(C(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 18037637 KGMWTTNYLXGPLC-UHFFFAOYSA-N 398.553 4.962 0 40 GJAB COc1ccc2cnc([C@@H]3CCCN(C(=O)Cc4cccc(F)c4)C3)cc2c1C 19582637 WPWURLUXIQFSLY-LJQANCHMSA-N 392.474 4.640 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2cccc(Cl)c2C)cc1C 19647692 ORINLPUKKOJJHQ-UHFFFAOYSA-N 376.909 4.576 0 40 GJAB O=C(c1ccc(F)cc1)N1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19687721 BNUSZRTVGSQEQA-NRFANRHFSA-N 396.849 4.755 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 20042060 RNYOZCZVEPEZCR-LJQANCHMSA-N 393.936 4.887 0 40 GJAB COc1ccc([C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1 20489334 SXFQNQUYELJCBJ-ZDUSSCGKSA-N 394.334 4.568 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)ccc1Cl 20490977 UJGBVXQGBYLAEY-HNNXBMFYSA-N 389.879 4.848 0 40 GJAB COc1ccc(Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 21790266 PEVHFPPZPDMFEY-UHFFFAOYSA-N 382.872 4.835 0 40 GJAB O=C(Nc1cccc(I)c1)c1occc1-c1ccccc1 22836653 BTLWFOGAIIMVMC-UHFFFAOYSA-N 389.192 4.804 0 40 GJAB Cc1c(C(=O)Nc2cc(F)ccc2F)cnn1-c1cccc(C(F)(F)F)c1 24353144 JZLNUPLWTSDVQD-UHFFFAOYSA-N 381.304 4.730 0 40 GJAB COc1ccccc1-c1noc(CSc2ncc(-c3ccc(F)cc3)[nH]2)n1 26569776 HETBOTSDKHMVFQ-UHFFFAOYSA-N 382.420 4.567 0 40 GJAB CC(C)[C@@H](Sc1nc2cc(F)c(F)cc2[nH]1)C(=O)N(C)c1ccccc1 27085274 ITWWOWLHRZTMCC-QGZVFWFLSA-N 375.444 4.621 0 40 GJAB O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1ccccc1F 32623249 AAMAKQWGIWXQJX-UHFFFAOYSA-N 377.350 4.934 0 40 GJAB CCOc1ccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ccccn23)cc1 35616391 ZSCXOFRFCBLSEE-UHFFFAOYSA-N 375.428 4.858 0 40 GJAB COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)/C(=C/c3cn(C)nc3C)C[C@H]12 36005144 MEPYNTVXLJQGPP-CIVKETMESA-N 392.543 4.648 0 40 GJAB Cc1cc(C(=O)Nc2ccc(F)c(F)c2)c2c(C)nn(Cc3ccccc3)c2n1 36616777 WMXHDGIEFKOZRR-UHFFFAOYSA-N 392.409 4.627 0 40 GJAB O=C(CCCc1cccs1)NCc1cccc(C(=O)Nc2ccccc2)c1 40106736 QRAFHEAKAHLWPQ-UHFFFAOYSA-N 378.497 4.640 0 40 GJAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)c1c[nH]c2ccccc12 57364711 JSSINBPDZPKWFY-HNNXBMFYSA-N 375.497 4.840 0 40 GJAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc3ncccc23)c1 58404219 SXGTXFVDIRPHPD-UHFFFAOYSA-N 397.434 4.748 0 40 GJAB CCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2s1 59294106 BXLXPYWRFCNNGJ-UHFFFAOYSA-N 397.500 4.786 0 40 GJAB Cc1cc(SCC(=O)NCCC2=CCCCC2)nc(-c2cccc(F)c2)n1 67257303 IMYLVCATSFEVBS-UHFFFAOYSA-N 385.508 4.690 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(C)ccc2C)nc1 67294254 PSRMBQPCDACFCN-LCUIJRPUSA-N 399.450 4.943 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(SC(C)(C)C)nc2)cc1 72217371 VNDLXSPZNJNUGQ-SFHVURJKSA-N 390.574 4.806 0 40 GJAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3)n2)cc1 72357964 VVSWJQOVHRFKCE-XMMPIXPASA-N 386.495 4.587 0 40 GJAB COc1ccccc1OC[C@H](O)Cn1c(C2CCCCC2)nc2ccccc21 82087072 JVFVQVJCVGWJEM-GOSISDBHSA-N 380.488 4.533 0 40 GJAB O=C(c1ccc(F)cc1Cl)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 90613815 BNANIIJXKJTFFC-MRXNPFEDSA-N 388.653 5.000 0 40 GJAB COc1ccc(CNc2c(C)c(C3CC3)nn2-c2ccccc2)c(OC)c1OC 95971858 WEUJACJRGZEEDQ-UHFFFAOYSA-N 393.487 4.696 0 40 GJAB CCOc1ccccc1-c1nn2c(-c3oc4ccccc4c3C)nnc2s1 96194198 GSQWUPCEEPUSTB-UHFFFAOYSA-N 376.441 4.973 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 216232031 TWAFENTVEOHSGX-ZDUSSCGKSA-N 381.900 4.988 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(Cl)cc1 224458748 WNWOJIYRNXPAQT-NRFANRHFSA-N 383.875 4.846 0 40 GJAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 225520497 MQUYERRSNSRNCL-CEZZIEKDSA-N 388.467 4.545 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 225549181 QQNRGNYQTRHLHU-NFBKMPQASA-N 394.559 4.568 0 40 GJAB O=C(C1CCN(Cc2ccc(Cl)cc2F)CC1)N1CCCc2ccccc21 225582581 QRECZRDRKBMCAO-UHFFFAOYSA-N 386.898 4.671 0 40 GJAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cccc2ccccc12 408628986 YZCXIEXRTPHQAU-UHFFFAOYSA-N 391.279 4.979 0 40 GJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cccc(C(F)(F)F)c3)S2)cc1 408781292 BUJNRRCGDKWODH-MUMAZLPKSA-N 378.419 4.867 0 40 GJAB CCc1ccc([C@@H]2CCCN(C(=O)C3CCC(OC[C@H]4CCCO4)CC3)C2)cc1 552123814 LFMDOBKIPGWEOF-UGAUIIJPSA-N 399.575 4.709 0 40 GJAB O=C(c1ccc(Br)cc1OC(F)(F)F)C(Cl)(Cl)Cl 575362602 HHUXOQHLZYXPMI-UHFFFAOYSA-N 386.378 4.901 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](Cc3cccnc3)C2)cc1 1848353652 DAHWNYPKFQCQLG-NRFANRHFSA-N 386.495 4.902 0 40 GJAB CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 2037924039 NAYHOWMUALFNTP-YFVAEKQCSA-N 399.874 4.519 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 643660 LOBYXIXZTYJWQB-UHFFFAOYSA-N 383.706 4.918 0 40 GJAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(F)c4)sc3n2)cc1 658834 UAVNRZKDRXDSNR-UHFFFAOYSA-N 393.443 4.946 0 40 GJAB C[C@H]1CN=C(N(Cc2cccnc2)C(=O)Nc2ccc(Cl)c(Cl)c2)S1 1044118 JRCFROHVFKNNCP-NSHDSACASA-N 395.315 4.914 0 40 GJAB NC(=O)[C@@H](c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 1385501 CGODDVNAPDQFMY-NSHDSACASA-N 383.584 4.678 0 40 GJAB Cc1[nH]c2ccc(Br)cc2c1CCNC(=S)NC1CCCCC1 1410394 KQNSWKNUULHNNM-UHFFFAOYSA-N 394.382 4.578 0 40 GJAB O=C(C[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc2ccccc12 1624396 XPVRXXHQUZULBI-HXUWFJFHSA-N 386.234 4.559 0 40 GJAB Cc1nn(C(=O)c2c(-c3ccccc3Cl)noc2C)c2c1[C@H]1[C@@H](C2)C1(C)C 2311046 RUWIHNOKYSHJME-FZKQIMNGSA-N 381.863 4.793 0 40 GJAB Cc1ccc(OCc2nnc(SCC(=O)C(C)(C)C)n2Cc2ccco2)cc1 2443500 IEQFVNQWKDXKQU-UHFFFAOYSA-N 399.516 4.514 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc4ncsc4c3)n2)cc1OC 4088402 AJVYATNPHHDTHP-UHFFFAOYSA-N 397.481 4.689 0 40 GJAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OS(=O)(=O)c3ccccc3)cc12 4340676 IYICJSVPONJNNS-UHFFFAOYSA-N 392.432 4.536 0 40 GJAB biogenic CCc1ccc2nc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)sc2c1 5180989 BWONALBPALRWBZ-UHFFFAOYSA-N 391.949 4.536 0 40 GJAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccco3)sc2c1 5265153 SRYNQMCLTWNRIA-UHFFFAOYSA-N 379.441 4.530 0 40 GJAB CC[C@@H]1C[C@@H](CC(=O)NC(=S)Nc2ccc(Br)cc2)C1(C)C 5333318 GKZXVZBFLVRRIA-NEPJUHHUSA-N 383.355 4.725 0 40 GJAB CCc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 5938883 BRVSSFPMDAJUKT-SFHVURJKSA-N 378.501 4.663 0 40 GJAB CCSc1nc2ccc(Br)cc2c(=O)n1[C@@H](C)c1ccccc1 6510358 DLRTWUAJNCVRGQ-LBPRGKRZSA-N 389.318 4.880 0 40 GJAB COc1cccc(-c2cc(OC(=O)c3cccs3)cc3sc(=O)oc23)c1 6809722 AESQVNMVPSYZKL-UHFFFAOYSA-N 384.434 4.811 0 40 GJAB Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)nc12 7424524 BHRJVVXMULNUEO-UHFFFAOYSA-N 394.475 4.677 0 40 GJAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCC2)c1nnc(-c2ccccc2)o1 7824252 WKXKZYAWXACQOU-AWEZNQCLSA-N 385.423 4.692 0 40 GJAB CCCCN1C(SCc2ccc(Cl)cc2)=NS(=O)(=O)c2ccccc21 8023947 PGTBTGXYFJEAQR-UHFFFAOYSA-N 394.949 4.938 0 40 GJAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(F)cc2)cc1C 8476955 AOSUONDCFAVCKR-UHFFFAOYSA-N 392.478 4.753 0 40 GJAB Cn1ccnc1Sc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 8747995 KZXGSRNYKIKEKH-UHFFFAOYSA-N 379.819 4.755 0 40 GJAB CC(C)COc1ccc(Cc2c(O)nc(SCc3ccccc3)nc2O)cc1 9360802 TVZDPPGJVHVUAV-UHFFFAOYSA-N 396.512 4.806 0 40 GJAB Cc1nc(SCC(=O)Nc2ccccc2N2CCCC2)n(C2CCCC2)c1C 9367145 DKNUAIXMVFOYRA-UHFFFAOYSA-N 398.576 4.946 0 40 GJAB O=C(Oc1ccccc1[C@@H]1CC(=O)n2c(nc3ccccc32)C1)c1ccccc1 9517189 UFJSLSGPCLQKMB-KRWDZBQOSA-N 382.419 4.626 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cccc(OCc3cn4cccc(C)c4n3)c2)cc1 10393025 NJFFDLGIIGCJNI-UHFFFAOYSA-N 399.450 4.677 0 40 GJAB COc1ccc(C(C)(C)C)cc1CN1C[C@@H]2CCC[C@H](C1)C2(O)c1ccccn1 12135122 JZIZAFMPKVRZTL-KEVCNVLYSA-N 394.559 4.507 0 40 GJAB COc1ccc(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)cc1 13956886 QPEQQEANURSGFP-UHFFFAOYSA-N 377.256 4.835 0 40 GJAB Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 14152768 XHFFQDKTCNAMDC-UHFFFAOYSA-N 395.328 4.553 0 40 GJAB Brc1cc2c(cc1CN1CCC[C@H]1c1cccs1)OCCO2 15301534 PFOPHXOGARGGLR-AWEZNQCLSA-N 380.307 4.619 0 40 GJAB O=C(COc1cccc2ccccc12)NCc1ccc(CN2CCCCC2)cc1 15614174 XYDJSOHMPWNUKO-UHFFFAOYSA-N 388.511 4.521 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCc1c[nH]c2ccccc12 16035352 JLHUQBIHJMCBBS-BLIXFSHQSA-N 385.504 4.648 0 40 GJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)s2)cc1 16141671 WXGWPXHECPSYGH-AWEZNQCLSA-N 380.307 4.887 0 40 GJAB Cc1ccc([C@@H](NC(=S)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 17449746 NKEXSYQBIGOLJP-QFIPXVFZSA-N 390.508 4.842 0 40 GJAB O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(Oc2ccccc2)cc1 20041279 GSLUKZWYOUCADJ-JOCHJYFZSA-N 379.481 4.835 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1OC 20459533 KEWZMQBTGXKOBL-LJQANCHMSA-N 399.531 4.535 0 40 GJAB COc1c(C)cc(Br)cc1C(=O)Nc1cccc2nc(C)ccc12 21595874 HCSDYEBFSLIJLM-UHFFFAOYSA-N 385.261 4.875 0 40 GJAB CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C)nn23)cc1 21798809 DYLFKIGLIHUBTR-UHFFFAOYSA-N 389.434 4.854 0 40 GJAB FC(F)(F)c1nc(N2CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc2n1 25713104 AJVJWFLWGJKIDH-UHFFFAOYSA-N 397.404 4.909 0 40 GJAB O=C(CCC(=O)c1ccccc1)Nc1ccccc1N1CCc2ccccc2C1 25798741 CUPDBPWGFIPBSP-UHFFFAOYSA-N 384.479 4.851 0 40 GJAB Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCCCC2)cc1 27582046 KNBFSNWQBLTLGI-XMMPIXPASA-N 394.559 4.724 0 40 GJAB COc1ccc(-c2nc(CCNC(=O)c3cccc4ccccc34)cs2)cc1 27993607 GIGRUPOBRMUMGG-UHFFFAOYSA-N 388.492 4.944 0 40 GJAB COc1cccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)c1 28288691 FFAOEVIQBKMIDV-QFIPXVFZSA-N 380.532 4.560 0 40 GJAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(Cl)c1 32073652 KKQYINVBNMTYLW-INIZCTEOSA-N 380.835 4.683 0 40 GJAB Cc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 33569875 MBOSOUPNLQWUSE-JOCHJYFZSA-N 392.480 4.615 0 40 GJAB CC(C)c1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)nn1C(C)(C)C 40143321 SHSXLYVOKYTSDI-UHFFFAOYSA-N 394.519 4.923 0 40 GJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(CN2CCCC2)cc1 44872530 PAHJDPWIXFHTNN-LJQANCHMSA-N 388.511 4.519 0 40 GJAB CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 44932265 ZBUXUXBPHSKZFJ-IBGZPJMESA-N 380.532 4.636 0 40 GJAB O=C(NC[C@H](O)c1cccc(Cl)c1)c1ccc(-c2nc3ccccc3s2)o1 48354643 PYKNKYVTWJPMMU-HNNXBMFYSA-N 398.871 4.673 0 40 GJAB C=CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1OCC 50547989 WBQWWXLRFQRFNS-UYRXBGFRSA-N 396.468 4.744 0 40 GJAB CC(=O)Nc1cccc2c1CCCN2C(=O)c1ccc(-c2ccc(F)cc2)o1 58434709 QDDVIFOETCZCLE-UHFFFAOYSA-N 378.403 4.637 0 40 GJAB CCCCNC(=O)N1CCN([C@@H](c2ccc(C)cc2)c2ccccc2C)CC1 72265279 UULCGJVDZKQSBJ-QHCPKHFHSA-N 379.548 4.520 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2Cl)cc1Cl 72329326 UWELTANTOKBGPK-UHFFFAOYSA-N 390.270 4.712 0 40 GJAB COc1ccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)c(OC)c1 96194182 RKNPMISNHCLCBK-UHFFFAOYSA-N 392.440 4.592 0 40 GJAB CN(NC(=S)Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(Cl)n1 96248528 ADQQUHILOILMAG-UHFFFAOYSA-N 395.237 4.745 0 40 GJAB CC1(C)[C@@H]2CC[C@]1(C)CN(C[C@H](O)Cn1c3ccccc3c3ccccc31)C2 100330038 DNUFRGCCNUMJNP-HHJKRLRDSA-N 376.544 4.914 0 40 GJAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)OCC(=O)c1ccccc1 102234495 AZUVAXGGAGDYQZ-SNEKZUEESA-N 391.305 4.537 0 40 GJAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccc(C)cc1 113935549 PCIMVPWCWKBWRV-ZDUSSCGKSA-N 388.316 4.740 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)c(Cl)c1 216394361 GMZAWLBVMIUZQY-INIZCTEOSA-N 396.270 4.966 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccccc1F 222994210 FEMRVTAVPWCDBN-HXUWFJFHSA-N 375.509 4.650 0 40 GJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(OC)c(C)c1 225455733 CZMLKNOHRIYTKI-UTKZUKDTSA-N 381.516 4.917 0 40 GJAB CCc1nc2ccc(C(=O)NCc3cncc(-c4cccs4)c3)cc2s1 238882916 POOBXLMGGGVYSV-UHFFFAOYSA-N 379.510 4.912 0 40 GJAB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)nn12 408573852 OWNUMECQNWKLHR-UHFFFAOYSA-N 391.500 4.711 0 40 GJAB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1C1CCCCC1 409077836 GAGIFNYWDCMRBS-ATVHPVEESA-N 386.904 4.990 0 40 GJAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)c4ccccc4)C3=O)c[nH]c12 409130281 HCKFMGVEGNMXKQ-ODLFYWEKSA-N 390.464 4.650 0 40 GJAB CO[C@@H](C(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1)[C@H]1CCOC1 614252627 SMQQYSBAEIODOI-SCLBCKFNSA-N 380.271 4.650 0 40 GJAB Cc1ccccc1Oc1cc(F)cc(F)c1NC(=O)N(C)CC1=CCCOC1 621517641 DKVTXRMUYGEIPJ-UHFFFAOYSA-N 388.414 4.876 0 40 GJAB COCCOc1c(Cl)cc(NC(=O)N2CCCC3(CC2)CC3)cc1Cl 626476668 HLRLUZHOLJVJKE-UHFFFAOYSA-N 387.307 4.817 0 40 GJAB CN([C@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl 1660583921 QGRDMACUSXGKSW-HXUWFJFHSA-N 389.879 4.889 0 40 GJAB COc1ccccc1-c1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 632736 FJXZJJAUTMKDJQ-UHFFFAOYSA-N 376.363 4.547 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc(F)c(F)cc2Cl)sc2c1CCC2 707551 LJAQWOKWOWQBNT-UHFFFAOYSA-N 385.819 4.597 0 40 GJAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3cccc(F)c3)n12 902988 PROYYCVPVNBNIW-UHFFFAOYSA-N 394.475 4.678 0 40 GJAB CCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1cc(Cl)cc(Cl)c1 1037639 UQDOPEKUDWZNMX-UHFFFAOYSA-N 380.231 4.553 0 40 GJAB Cc1nc(C(=O)Nc2ccccc2Cl)nn1-c1cc(Cl)cc(Cl)c1 1385736 MJKWERUKBOABBN-UHFFFAOYSA-N 381.650 4.788 0 40 GJAB O=C1OC(c2ccc(C(F)(F)F)cc2)=N/C1=C\c1ccccc1OC(F)F 3327003 YLIGYIIHUBOCOS-LCYFTJDESA-N 383.272 4.651 0 40 GJAB COc1ccc(C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1OC 3513446 MPBGJSIGMFMJTA-UHFFFAOYSA-N 396.439 4.599 0 40 GJAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(C(F)(F)F)cc1 4033032 SBAJBJHUNMKPLL-UHFFFAOYSA-N 382.345 4.667 0 40 GJAB NC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCCCC2 4176860 PYRBKQCUWPTJPA-UHFFFAOYSA-N 383.300 4.675 0 40 GJAB CCCCn1cc(S(=O)(=O)c2ccc(CC)cc2)c(=O)c2cc(C)ccc21 4193414 VZINEZZTYDTIGB-UHFFFAOYSA-N 383.513 4.505 0 40 GJAB COc1ccccc1-c1nnc(NC(=O)c2sc3ccccc3c2Cl)o1 4276009 JIMOHFUTMVFHPM-UHFFFAOYSA-N 385.832 4.866 0 40 GJAB COc1cccc(NC(=O)CCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 4384088 BDCPUMPRNUOCAU-UHFFFAOYSA-N 379.460 4.614 0 40 GJAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(Cl)cc3)nn2)s1 4392273 JCFUDZNLYZAAKX-UHFFFAOYSA-N 390.921 4.601 0 40 GJAB CCCCCSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12 4438309 OMFMUXTZRFDEAR-UHFFFAOYSA-N 398.557 4.994 0 40 GJAB CC1=CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 4731236 MCTDXPDDZLFJHR-LOCCHRAXSA-N 382.500 4.941 0 40 GJAB in-man Cc1ccc(Cl)cc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 4863377 DBTDFMNGCJUKAT-UHFFFAOYSA-N 375.896 4.737 0 40 GJAB Cc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 6056277 YKLOOBLJDOSAOS-OAHLLOKOSA-N 377.513 4.736 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccccc2OCCOc2ccccc2)C1=O 6323991 FOMMGSYXSILEGK-XDJHFCHBSA-N 383.469 4.591 0 40 GJAB O=C(Nc1ccccc1F)C(=Cc1ccc(F)cc1)C(=O)Nc1ccccc1F 6429897 YFHTZGUTQSGZNJ-UHFFFAOYSA-N 396.368 4.765 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)NCCCSc2ccccc2)cc1 6541241 ASYIHJAFZJBRBM-UHFFFAOYSA-N 396.512 4.783 0 40 GJAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)c1c[nH]c2ccccc12 7161960 UDKFMXDFIAGWKZ-LLVKDONJSA-N 384.486 4.588 0 40 GJAB Cc1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)no1 7371409 MGBUQEKHTSWZDH-UHFFFAOYSA-N 383.864 4.571 0 40 GJAB CN(CC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)Cc1ccco1 7919033 OCRNVJBQQIRGEH-FQEVSTJZSA-N 378.497 4.592 0 40 GJAB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)c1C 7939768 ODUKPWNUXASOFH-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB CCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 8227138 FOEHJYMDRJNARK-UHFFFAOYSA-N 382.273 4.675 0 40 GJAB O=C(CSc1ccc(F)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1 8230933 LAURIWBJSQVFAZ-UHFFFAOYSA-N 383.473 4.933 0 40 GJAB Clc1ccccc1OCc1nnc(SCc2cscn2)n1C1CC1 8315392 ZJYNPCIOXZLHPE-UHFFFAOYSA-N 378.910 4.594 0 40 GJAB O=C(Cc1coc2ccc3ccccc3c12)NC1CCN(Cc2ccccc2)CC1 8394859 WKNOOKQTLFAQAQ-UHFFFAOYSA-N 398.506 4.909 0 40 GJAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCN(c2ccccc2)CC1 8427870 FXXGZYYKLNAKKZ-UHFFFAOYSA-N 397.931 4.734 0 40 GJAB COc1ccc(CCNCc2cccc(OC)c2OCc2ccccc2F)cc1 8474520 PCQBNJSZWMPYIS-UHFFFAOYSA-N 395.474 4.754 0 40 GJAB O=C(CNc1cccc2ccccc12)Nc1ccccc1C(=O)NC1CCCC1 9113354 NFTABHOHCFMSHV-UHFFFAOYSA-N 387.483 4.563 0 40 GJAB Cc1cc(NC(=O)COc2ccccc2F)cc(-c2nc3ccccc3o2)c1O 9486509 LKLSEEQNUSGWPR-UHFFFAOYSA-N 392.386 4.665 0 40 GJAB Cc1ccc(-c2cc(C(=O)OCn3nnc4ccccc43)c3ccccc3n2)cc1 9667814 RDQCCPCGGIROGB-UHFFFAOYSA-N 394.434 4.769 0 40 GJAB COc1ccc([C@@H](CNC(=O)Nc2cccc3ccccc23)N2CCCC2)cc1 11004544 FXNKBNRAYCWCFB-HSZRJFAPSA-N 389.499 4.807 0 40 GJAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)on1 11175737 XAOYFBYBNNQFGX-AWEZNQCLSA-N 390.468 4.713 0 40 GJAB Cc1ccccc1[C@H](C)NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 12871266 KIPLBHZMTCJEQG-KRWDZBQOSA-N 393.556 4.662 0 40 GJAB Cc1nc(N2CCC([C@H](O)c3ccccc3)CC2)c2c3c(sc2n1)CCCC3 12892687 SLVFFAQMKWGIAS-OAQYLSRUSA-N 393.556 4.829 0 40 GJAB COc1cc(C)c(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C(C)C 14009962 DMNXVYUWDOTKCP-YBFXNURJSA-N 398.890 4.873 0 40 GJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1N1CCCCC1 14771497 NZAQPFSCYAHAOY-UHFFFAOYSA-N 375.472 4.903 0 40 GJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)c1 17079879 PVBDFUHIAIEVKP-UHFFFAOYSA-N 391.334 4.810 0 40 GJAB CC(=O)N1CCc2sccc2[C@@H]1c1ccc(NC(=O)c2cccc(F)c2)cc1 19018109 HQAMMYBWWAKFIB-NRFANRHFSA-N 394.471 4.634 0 40 GJAB ClC(Cl)(Cl)C1=N[C@H](C(Cl)(Cl)Cl)NC(c2ccccc2)=N1 19227935 FUUPDJWPQXLQRW-MRVPVSSYSA-N 393.916 4.501 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2c(C)nc3ccc(Cl)cn23)cc1OC 19658714 FFAZXDSQRJJMCJ-KRWDZBQOSA-N 385.895 4.650 0 40 GJAB O=C(c1ccccc1)N1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19687725 DLXMQHNHJNZVHX-OAQYLSRUSA-N 378.859 4.616 0 40 GJAB Cc1c(CN2CCC[C@@H](c3nc4ccccc4n3C)C2)c(-c2ccccc2)nn1C 19715873 BPJQRRXOUOMDKO-HXUWFJFHSA-N 399.542 4.662 0 40 GJAB CCOC(=O)c1cc(NC(=O)c2ccccc2Br)ccc1Cl 20457520 VEYKBGKOIOFHRQ-UHFFFAOYSA-N 382.641 4.532 0 40 GJAB O=C(Nc1ccc(F)cc1)c1cccnc1Nc1ccc(Br)cc1 22053894 GQOKBVCADXOAFO-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB O=C(Nc1ccc(CNc2nc(-c3ccncc3)nc3ccccc23)cc1)C1CC1 23076318 OLHJYJGECKNGCL-UHFFFAOYSA-N 395.466 4.652 0 40 GJAB Cc1nc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)sc1C 24497707 JJXAROANBUGCNG-UHFFFAOYSA-N 380.395 4.525 0 40 GJAB Cc1ccc([C@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 30872217 RJZDSPVIGJHARW-HNNXBMFYSA-N 376.294 4.631 0 40 GJAB Cc1nnc(NC(=O)CSc2nc3cc(C)c(C)cc3c3c2CCCC3)s1 35315958 YQOXPDZLELVZNR-UHFFFAOYSA-N 398.557 4.621 0 40 GJAB CN(Cc1ccccc1OC(F)(F)F)C(=O)Cc1ccc(-n2cccc2)cc1 40080046 XDNYERMBCVYTJU-UHFFFAOYSA-N 388.389 4.577 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(Br)c1 40692335 CWPFNXSUDRUTQE-UHFFFAOYSA-N 395.105 4.865 0 40 GJAB CCc1ccc([C@@H](NCC(=O)Nc2cc(C)ccc2OC)c2cccs2)cc1 57323130 OLWBRVAELFRSRW-HSZRJFAPSA-N 394.540 4.945 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)c1C 57752606 KRFJQFYTQSGGMY-CYBMUJFWSA-N 380.410 4.556 0 40 GJAB COc1ccc(-c2csc3ncnc(NC[C@H](O)c4ccc(F)cc4)c23)cc1 58393294 XDQKZUKBSFGHEM-SFHVURJKSA-N 395.459 4.652 0 40 GJAB CC(C)c1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)on1 70765072 XMRNFACQBFKRDV-UHFFFAOYSA-N 393.472 4.574 0 40 GJAB CCOc1ccc(OCC)c(NC(=S)Nc2ccc(OC)c(Cl)c2)c1 71761811 CJIRARDBQIIJFB-UHFFFAOYSA-N 380.897 4.955 0 40 GJAB CCc1ccc(C2=C[C@H](c3cc(Br)ccc3F)n3ncnc3N2)cc1 101668080 FOSVNSLAKJXTLM-GOSISDBHSA-N 399.267 4.798 0 40 GJAB aggregator Cc1cc(NC(=S)NCCSCc2ccco2)ccc1Br 107372960 KRYUOBJMNBPYJV-UHFFFAOYSA-N 385.352 4.570 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1cccc(OC(C)C)c1 219365575 CAQALNSUUXMTCC-JOCHJYFZSA-N 383.532 4.997 0 40 GJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1 225320244 JHPNWXWVQIXLHW-HNNXBMFYSA-N 399.541 4.853 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 225655225 DCPCEGHPHBCYMS-KRWDZBQOSA-N 399.541 4.935 0 40 GJAB CCN(CC)c1ccc(N)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC 226261412 VSECZUZLHLIOPT-UHFFFAOYSA-N 382.291 4.683 0 40 GJAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1cc(Br)ccc1Cl 226366851 GMIHWEDLDBGZAR-UHFFFAOYSA-N 392.636 4.752 0 40 GJAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(OC)c4)OCC[C@@]31C2 257335186 YIZDACVHTLJSTE-UALQTUHCSA-N 389.511 4.633 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1Cl 408624868 CVDJUILLWPDMHZ-UHFFFAOYSA-N 389.691 4.788 0 40 GJAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1cccc(Br)c1 409165935 BMWXPPXGEIZPKI-MDWZMJQESA-N 380.288 4.747 0 40 GJAB CCc1ccc(N(C(=O)[C@H](OC)[C@@H]2CCOC2)c2nc3ccccc3s2)cc1 622765452 QZFFCEWBMURFBH-OXQOHEQNSA-N 396.512 4.575 0 40 GJAB O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@H](O)c1ccc(Cl)c(Cl)c1 1539322537 KCPJDKGBWUFJLJ-GDBMZVCRSA-N 386.275 4.519 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2cccs2)CC1 783876 HBPARVHHMWWJKV-UHFFFAOYSA-N 383.300 4.546 0 40 GJAB CCOC(=O)c1nnc(-c2ccccc2)nc1Oc1cccc(C(F)(F)F)c1 1392087 PXHGSHPXCRGCJQ-UHFFFAOYSA-N 389.333 4.526 0 40 GJAB Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C(=O)Nc1ccc(F)cc1F 1401130 FPSVFEDUVOFUQD-UHFFFAOYSA-N 377.778 4.705 0 40 GJAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cccc(OCc2ccccc2F)c1 2083952 SGAJXWWZPMYWML-BKUYFWCQSA-N 391.373 4.888 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)Cc3ccccc3)cc12 3216606 IFPPWMOCJFXWLZ-OAHLLOKOSA-N 375.497 4.756 0 40 GJAB COc1ccccc1CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 3354590 XSWZMNUIVQDIFW-UHFFFAOYSA-N 375.346 4.904 0 40 GJAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)CCc1nc2ccccc2c(=O)[nH]1 4293145 SCNPCNARKZTIHW-UHFFFAOYSA-N 392.499 4.513 0 40 GJAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2)cc1 4815059 ZDASPAJCAJIWDW-GOTSBHOMSA-N 394.478 4.968 0 40 GJAB COCCn1c(SCc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O 5046224 YJFFVPIWROKPRK-UHFFFAOYSA-N 382.529 4.633 0 40 GJAB COc1ccc(/C=C/C(=O)NCCSCc2c(F)cccc2Cl)cc1 5879929 QWKNAURGVWEKJL-JXMROGBWSA-N 379.884 4.551 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OC 6155363 ZNNGTPPLNVILQH-UHFFFAOYSA-N 378.266 4.726 0 40 GJAB COc1ccc2nc(S[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)[nH]c2c1 6314468 BQARTBCWLLEQDV-SECBINFHSA-N 396.299 4.998 0 40 GJAB O=C(COC(=O)c1cccc(O)c1)Nc1cc(Cl)ccc1Oc1ccccc1 6887265 KMSJYXLYISWESB-UHFFFAOYSA-N 397.814 4.633 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@@H](C)c3cccnc3)c2n1 7988004 FSBGLORWSSHVSP-LBPRGKRZSA-N 390.270 4.501 0 40 GJAB O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1CN1CCCC1 8011962 ATTSXBALTQHDCN-UHFFFAOYSA-N 388.964 4.734 0 40 GJAB Cc1nc2ccc(NC(=O)c3c(C)nn(Cc4ccccc4)c3C)cc2s1 8185693 DRNUAIBTXDCZMA-UHFFFAOYSA-N 376.485 4.719 0 40 GJAB c1ccc(-c2nnc(CSc3nnc(Cc4cccs4)n3C3CC3)o2)cc1 8271215 VNHHHDGPKVUXNN-UHFFFAOYSA-N 395.513 4.608 0 40 GJAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 8341932 ALRCOWKBIMFULW-HSZRJFAPSA-N 394.515 4.877 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](C)Sc1cc(-c2ccccc2)nc(C)n1 8654844 OWYYDFYVLHIQHE-OAHLLOKOSA-N 393.512 4.970 0 40 GJAB COc1ccc(/C=C/c2nnc(NC(=O)CSc3ccc(C)cc3)s2)cc1 9356968 YHEYJPWIVLLGPE-KPKJPENVSA-N 397.525 4.756 0 40 GJAB COc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1 9376324 MKLJMKVPAZRAPA-UHFFFAOYSA-N 375.453 4.862 0 40 GJAB CCCCNC(=O)[C@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 9850296 HCVPVHPBHCITBA-NVXWUHKLSA-N 398.956 4.607 0 40 GJAB O=C(c1ccc(Br)o1)N1CCC[C@@H]1c1nc2ccccc2s1 9908514 MBXZHRCSGRBBSF-LLVKDONJSA-N 377.263 4.629 0 40 GJAB CCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 10314317 CRJHIJQDALMWJM-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB C/C=C/c1ccc(OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(OC)c1 10539814 MPSBXUOYXNVHAF-WEVVVXLNSA-N 391.471 4.548 0 40 GJAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1cccnc1Cl 11443785 HBVGWXGRCFYMAM-UHFFFAOYSA-N 399.230 4.538 0 40 GJAB Cc1ccc(NC(=O)c2cc(O)c(OCc3ccc(F)cc3)cn2)cc1Cl 12169036 CANKUMKEXWHADB-UHFFFAOYSA-N 386.810 4.719 0 40 GJAB C[C@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)NCc1ccco1 12521488 XDZHUBXKUJQPPU-HNNXBMFYSA-N 391.496 4.597 0 40 GJAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(C(C)=O)cc2)cs1 12617439 RDVCNVCXYKDLRC-UHFFFAOYSA-N 380.469 4.593 0 40 GJAB Fc1cc2c(c(CN3CCc4sccc4[C@@H]3c3ccccc3)c1)OCOC2 12745481 YCLNLIZDIPTLHL-NRFANRHFSA-N 381.472 4.901 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)c1 12790963 NHIZRPHSPIIOKA-UHFFFAOYSA-N 397.500 4.605 0 40 GJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)[C@@H](C)c2ccccc2)cc1 12795731 FUZSKECRWSOIOH-INIZCTEOSA-N 380.517 4.526 0 40 GJAB CCOc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)cc1 12927032 JHNJYNSHVIICGT-QHCPKHFHSA-N 392.524 4.733 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 13058381 UDTOISRLGPLELZ-LBPRGKRZSA-N 379.287 4.655 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(F)c(Cl)cc1Cl 14198948 VJTKOTPGFDLTCH-MRXNPFEDSA-N 385.266 4.683 0 40 GJAB CC(C)Oc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 14646127 GEAYFDWMZUUPOX-UHFFFAOYSA-N 398.684 4.907 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2Cl)cc1 15538648 CTIAIRCUEXDHOZ-KRWDZBQOSA-N 380.271 4.745 0 40 GJAB CC[C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)c1ccccc1 15596006 OWCKUMAGCYCVHP-HNNXBMFYSA-N 385.870 4.897 0 40 GJAB COC(=O)c1ccc(COc2cccc3ccc(N4CCCCC4)nc23)cc1 16917371 IWXWQXOUFLDWRC-UHFFFAOYSA-N 376.456 4.591 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)cc1 17053217 CQOLTMHFDYCUGA-UHFFFAOYSA-N 380.469 4.892 0 40 GJAB CCc1cc(C(F)(F)F)c2c(C3CCN(Cc4ccncc4)CC3)noc2n1 19522101 XGHHFEWFSDXNAQ-UHFFFAOYSA-N 390.409 4.579 0 40 GJAB CCOc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1ccc(C)cn1)OCO2 19532525 QGDNXLBMLAQRNO-IBGZPJMESA-N 396.512 4.653 0 40 GJAB Cc1nc2sc([C@H](c3ccccc3Cl)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 22626510 DMOMWXGJLHUGAR-HSMVNMDESA-N 390.940 4.526 0 40 GJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(-c4nnco4)c3)c12 23075410 YSTONDQDVSGJQN-UHFFFAOYSA-N 397.394 4.501 0 40 GJAB Cc1cccc(C(=O)Nc2ncc(Cc3ccc(OC(F)(F)F)cc3)s2)n1 26050092 FVZWEMWHJWOGKT-UHFFFAOYSA-N 393.390 4.588 0 40 GJAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc2ccccc2[nH]1 27635789 QMPUKJIBAIFUBE-UHFFFAOYSA-N 385.471 4.714 0 40 GJAB CCCOc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)c1 27662124 ATMCRAZULUMUDK-QHCPKHFHSA-N 380.532 4.741 0 40 GJAB CC(=O)c1c(C)nc(-c2ccccc2)nc1SCC(=O)Nc1cccc(C)c1 27789679 OETYSYXJUGXCJI-UHFFFAOYSA-N 391.496 4.694 0 40 GJAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccco1)Cc1ccccc1F 27992775 WPTVWCZZTXRNGQ-UHFFFAOYSA-N 395.361 4.507 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 28183479 YSNXMNIPAPQKJJ-UHFFFAOYSA-N 397.327 4.921 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)o1 28244948 AHAHLWDFCKOXCN-UHFFFAOYSA-N 389.411 4.510 0 40 GJAB COc1ccccc1OCCNC(=O)c1ccc(CSc2ccccc2)cc1 31243227 TUTUQZPCBKSRJZ-UHFFFAOYSA-N 393.508 4.796 0 40 GJAB CC(=O)c1ccc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(F)c1 32960660 KJSKAAGVDOLKNS-XSXQVXRUSA-N 389.536 4.842 0 40 GJAB O=C(Nc1cc(Cl)ccc1F)c1cc(-c2ccc(Br)cc2)[nH]n1 40478309 JDQUNYWVEPRMLB-UHFFFAOYSA-N 394.631 4.884 0 40 GJAB COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccccc3)C2=S)cc1 45932671 QFXHNFAETGEVPC-UHFFFAOYSA-N 378.497 4.628 0 40 GJAB Cc1cc(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)[nH]n1 47555242 BKSBEGGBSMEOLL-UHFFFAOYSA-N 394.504 4.641 0 40 GJAB O=C1c2ccccc2N[C@H](c2csc(-c3ccccn3)n2)N1Cc1ccco1 54681574 IOFVNKBWERBSKN-IBGZPJMESA-N 388.452 4.565 0 40 GJAB CSc1ccccc1C(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62129344 UIEPOPXLUUFVID-UHFFFAOYSA-N 391.540 4.824 0 40 GJAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NC1CCSCC1 65515184 ZRMLEUVXRKJIIN-UHFFFAOYSA-N 382.504 4.918 0 40 GJAB CCc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2ccccn2)cc1 67293446 AIDZPDAPXAVKIJ-LCUIJRPUSA-N 399.450 4.884 0 40 GJAB CC(C)CC(=O)N[C@H](c1nccs1)C1CCC(CNC2CCCC2)CC1 72373166 NTDJMDPYDFRBKN-UHYCVJNDSA-N 377.598 4.685 0 40 GJAB CC(C)c1ccc2c(c1)CCCN2C(=O)c1cc(N2CCNC2=O)ccc1Cl 78878111 ZEKOMLBCPXKJFL-UHFFFAOYSA-N 397.906 4.586 0 40 GJAB Cc1n[nH]c(O)c1[C@H](c1ccc(-c2cccc(Cl)c2C)o1)c1c(O)n[nH]c1C 96193504 MFAULKHZYYELGI-UHFFFAOYSA-N 398.850 4.563 0 40 GJAB CC(=O)N(c1nc(/C=C2/SC(=S)N=C2O)cs1)c1c(C)cccc1C 96662806 BMWMSEPOPFOQCW-NTUHNPAUSA-N 389.527 4.774 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 219301907 OVVVIIZVUNGEOA-FQEVSTJZSA-N 383.532 4.917 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(C)c(Cl)c1 224164805 MOXKWLPNIIZOHK-FQEVSTJZSA-N 375.896 4.618 0 40 GJAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 224590985 PTFQZJUQRAPCPG-IRXDYDNUSA-N 387.917 4.679 0 40 GJAB O=C(CCSc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 225134957 HTHWLYZOKSMIAL-UHFFFAOYSA-N 375.906 4.979 0 40 GJAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1ccccc1Oc1ccccc1 225752655 PLCYLPOACAETDN-UHFFFAOYSA-N 388.398 4.572 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1 225781534 PQPVKSALZFPDTF-UHFFFAOYSA-N 399.447 4.553 0 40 GJAB S=C(NCCCc1cccc2ccccc12)Nc1ccc2c(c1)OCCO2 225808725 RTVFGLDOVNOPQS-UHFFFAOYSA-N 378.497 4.530 0 40 GJAB COc1cccc(OC)c1CCC(=O)NC(c1ccccc1)c1ccccc1 225996021 KACXEBRCPBXPQK-UHFFFAOYSA-N 375.468 4.542 0 40 GJAB Cc1cccnc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257306166 STEOALLMYGCOSX-IBGZPJMESA-N 395.890 4.990 0 40 GJAB CCCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccccc1 408564536 ZFDPAONJOBRIDD-FCQUAONHSA-N 380.513 4.939 0 40 GJAB CCOC(=O)C1=CNc2cc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccccc1 409025499 VXYMBDGNIRFKLO-FQEVSTJZSA-N 379.847 4.665 0 40 GJAB Cc1ccsc1/C=C1/SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 409327150 QJKQFRQNKWCEDZ-OVCLIPMQSA-N 377.874 4.629 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccccc1C(F)(F)F 606440615 HLRDNASGWGTQFW-CYBMUJFWSA-N 397.443 4.959 0 40 GJAB COc1cc(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2C)ccn1 1671727927 ZCGKCCLXNWFZLN-MRXNPFEDSA-N 390.281 4.530 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)cc1C 663987 BRXWNTRPPHOCSB-UHFFFAOYSA-N 394.544 4.949 0 40 GJAB O=C(CN1CCCCCC1)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2 793423 UOLADZKUKLSGPG-UHFFFAOYSA-N 396.556 4.672 0 40 GJAB O=C(COc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 1006484 IDPPOLUPYNKLCK-UHFFFAOYSA-N 380.831 4.610 0 40 GJAB CCOC(=O)c1c(NC(=O)CSc2ccc(C)cc2)sc2c1CCCC2 1959029 HXEVZDXMCXHKBK-UHFFFAOYSA-N 389.542 4.843 0 40 GJAB CC(C)c1nc2oc3c(N4CCCCC4)ncnc3c2c2c1COC(C)(C)C2 2360085 XCPFPEXNOKHCDT-UHFFFAOYSA-N 380.492 4.736 0 40 GJAB Fc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4Cl)nc32)cc1 2411179 PQGUZOTUIJHCJE-UHFFFAOYSA-N 399.216 4.576 0 40 GJAB Cc1ccc2c(CC(=O)OCc3cc(=O)oc4cc5c(cc34)CCC5)coc2c1 2664157 OGMOSWQXMWZUFQ-UHFFFAOYSA-N 388.419 4.622 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 3072089 MATPIZLQVBYFSL-NSHDSACASA-N 382.243 4.576 0 40 GJAB Cc1nc(SCC(=O)c2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3 3267614 AKBBMLVLXGVZNQ-UHFFFAOYSA-N 398.509 4.582 0 40 GJAB CCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccc(C)c1 5155548 ZEZDKEFXAWVGRY-UHFFFAOYSA-N 384.480 4.533 0 40 GJAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1Cc1cccs1 5813913 CQKMPQSAEATOAX-UHFFFAOYSA-N 399.497 4.833 0 40 GJAB COc1ccc(-c2nc3cc(NC(=O)c4cccnc4)ccc3o2)cc1Cl 5918067 FJRSISPKCBOQQN-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)NCCC(C)C 6085281 BAYAUTBCPDOERK-UHFFFAOYSA-N 388.726 4.976 0 40 GJAB COc1ccc(CCN(C)C(=S)Nc2ccc(Cl)cc2Cl)cc1OC 6638100 JDXBAZGFLROJCQ-UHFFFAOYSA-N 399.343 4.882 0 40 GJAB CN(C)C(=O)[C@@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1 6842411 IQWSEFASDHMTEP-HNNXBMFYSA-N 386.662 4.633 0 40 GJAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CC(=O)N(c2ccccc2F)C1 6881129 XBUTXRCMZBFTMA-INIZCTEOSA-N 390.414 4.610 0 40 GJAB CCCC(=O)Nc1ccc(C(=O)CSc2nnc(C3CCCCC3)o2)cc1 7215645 LFYBJODJXNIWRH-UHFFFAOYSA-N 387.505 4.831 0 40 GJAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(OC(F)F)cc2)cs1 7921497 HSQRFDXPUZOQLB-UHFFFAOYSA-N 390.411 4.884 0 40 GJAB CC(=O)c1cccc(OCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 8325597 VJRWLMIFADGHIS-OAQYLSRUSA-N 397.521 4.565 0 40 GJAB COc1cc(CNCCCN(C)C)cc(Cl)c1OCc1ccccc1Cl 8373833 TYNLYANALUXMQH-UHFFFAOYSA-N 397.346 4.622 0 40 GJAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2C)n1 8476696 SRMVGLMHCGYOAL-UHFFFAOYSA-N 389.286 4.689 0 40 GJAB O=C(CNc1ccc(F)c(Cl)c1)Nc1ccc(OC(F)F)c(Cl)c1 8852781 KJQLABPNPSTUGX-UHFFFAOYSA-N 379.165 4.785 0 40 GJAB CC(=O)c1cc(CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)oc1C 9256452 JWVUMZCEGTVSQE-SFHVURJKSA-N 382.485 4.697 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1ccc(Br)cc1 10449674 ZBCUUARAZXIDKE-CYBMUJFWSA-N 376.319 4.660 0 40 GJAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 11216466 UOQKWJQTFXBWEO-INIZCTEOSA-N 393.439 4.902 0 40 GJAB Cc1ccc(-n2ccnc2S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 11424722 ZXIMVPSNBJOZFP-HNNXBMFYSA-N 376.485 4.579 0 40 GJAB Cc1cc(-c2cnc(NC3CCN(Cc4ccccc4)CC3)nc2C(C)C)on1 12186856 CFDWOGMGNTWLDW-UHFFFAOYSA-N 391.519 4.640 0 40 GJAB Cc1ccccc1Cn1c([C@H](C)NC(=O)Cc2ccccc2)nc2ccccc21 12539134 QVHDNIMHFJAWQC-IBGZPJMESA-N 383.495 4.813 0 40 GJAB CCc1ccc(-c2noc(CCC(=O)N(C)Cc3ccc(SC)cc3)n2)cc1 12553224 ODEWLOWXFKPXDS-UHFFFAOYSA-N 395.528 4.612 0 40 GJAB CCCc1noc(CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)n1 12738699 UXVKAMYTKSZZOJ-UHFFFAOYSA-N 395.488 4.523 0 40 GJAB CC(=O)c1c(C)[nH]c(-c2csc(CC(=O)Nc3ccc(C)cc3C)n2)c1C 12902980 WJCYUSVYEVMOKL-UHFFFAOYSA-N 381.501 4.756 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)CCNC(=O)c3ccccc3)ccc21 15623583 WMOKPNIBERIAQV-UHFFFAOYSA-N 385.467 4.573 0 40 GJAB Cc1nc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc2c1C(=O)CC(C)(C)C2 16266323 BVMKAPRUSJSTPA-UHFFFAOYSA-N 393.274 4.891 0 40 GJAB O=C(/C=C/c1cccc(F)c1)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 16700405 NRMQXMPTMURLSO-RMKNXTFCSA-N 389.352 4.741 0 40 GJAB Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3nnc(-c4ccsc4)o3)coc2c1 19221625 BLJUUCWANCHICZ-QGZVFWFLSA-N 393.468 4.759 0 40 GJAB CC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1-n1cccc1)CN(C)CC3 19889387 OZTPLDZLZUXNEV-UHFFFAOYSA-N 387.508 4.945 0 40 GJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 20144097 RBFBITKHESYKGV-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB CCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 20411749 SWRRDBGTYCIDAQ-UHFFFAOYSA-N 384.457 4.513 0 40 GJAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCC[C@H]1c1cccs1 23200055 QKJANQXMXKRFFM-SFHVURJKSA-N 381.476 4.539 0 40 GJAB Cc1ccc(SCc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1C 26034049 JJRDHXNKDJXBQM-UHFFFAOYSA-N 387.505 4.516 0 40 GJAB CCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 27741461 ZJBMZEKWEGNRKM-HXUWFJFHSA-N 386.561 4.884 0 40 GJAB CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2OCC)nc(C)c1C 29627537 SIZYTTOFAXPTCJ-INIZCTEOSA-N 375.538 4.818 0 40 GJAB O=C(NCc1ccc(Cn2ccnc2)cc1)C1(c2ccc(Cl)cc2)CCCC1 30218517 VRPRIADWIUHYFH-UHFFFAOYSA-N 393.918 4.713 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H](c2cccs2)C2CCCC2)C1 32397244 ATQNRRBJYOPOIL-FUHWJXTLSA-N 392.565 4.743 0 40 GJAB O=C([C@@H]1Cc2ccccc2S1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 32878867 URRBRWCWKUUXII-KXBFYZLASA-N 396.537 4.525 0 40 GJAB CCOC(=O)c1cccc(Nc2c(-c3ccccc3O)nc3ccc(C)cn23)c1 35616354 XFJHEZGOHTUGME-UHFFFAOYSA-N 387.439 4.936 0 40 GJAB CCCCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(O)cc3)nc21 36614338 VUCZGORRESXYLM-UHFFFAOYSA-N 395.406 4.646 0 40 GJAB COc1cc(NC(=O)N(C)Cc2cccc(Cl)c2Cl)cc(OC)c1OC 40096249 GEMZODVYGYZCRI-UHFFFAOYSA-N 399.274 4.683 0 40 GJAB C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1cccc(N2CCOC2=O)c1 68686770 VBMGSTPQUIRBQQ-JTQLQIEISA-N 385.773 4.884 0 40 GJAB CC(C)N(c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C)C(C)C 72213056 RTCDIORTZFDMDE-UHFFFAOYSA-N 377.529 4.583 0 40 GJAB Cc1nccn1Cc1cccc(CNC(=O)[C@H](C)CCCc2ccccc2)c1 95462907 XSWCHRULXQAIRH-LJQANCHMSA-N 375.516 4.515 0 40 GJAB COC(=O)C[C@@H](c1oc(CSc2ccc(Cl)cc2)cc(=O)c1O)C(C)C 95474964 GZIZIWPDQDZHKZ-OAHLLOKOSA-N 396.892 4.594 0 40 GJAB Cc1ccc(-c2cc(C(=O)N[C@@H]3C[C@@H]3c3ccccc3OC(F)F)on2)cc1 95960930 AUWFPVSJXOSDOA-NVXWUHKLSA-N 384.382 4.537 0 40 GJAB C[C@@H](NC(=O)c1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 102320672 VNMBCNYYGSCKPZ-LCLWPZTBSA-N 376.500 4.942 0 40 GJAB COc1cc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc1OC 102727295 WSMYLDBFEJZXQU-LJQANCHMSA-N 398.459 4.859 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219317917 KIIMHSLJDGPZHF-VQTJNVASSA-N 383.488 4.580 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 222975602 DYXLANIWFDYLBP-RTWAWAEBSA-N 394.519 4.784 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1ccco1 223339801 NXVXNKIGLCBGAV-NHCUHLMSSA-N 392.528 4.764 0 40 GJAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 223407183 YLLBPNVFCPRIRC-NRFANRHFSA-N 386.923 4.592 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225163639 MSMHOLKZIKACQN-SFHVURJKSA-N 384.501 4.748 0 40 GJAB Cc1cccc(CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 225393916 LIFVGRGUFNWJQT-UHFFFAOYSA-N 395.572 4.540 0 40 GJAB CO[C@@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 225704704 HBJFAWLYVRJFIP-ZDUSSCGKSA-N 391.842 4.857 0 40 GJAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCC(Cc2ccccc2)CC1 253401441 MXUXKBZMQFAQMK-HNNXBMFYSA-N 396.512 4.551 0 40 GJAB biogenic,in-vitro Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257338392 YXELWTSCSKBSJD-QGZVFWFLSA-N 385.464 4.537 0 40 GJAB O=C1N/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1C1CCCCC1 409083038 URMPDNSXEFZWSZ-STZFKDTASA-N 394.446 4.630 0 40 GJAB O=C(NCc1cncc(C2CC2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575620576 OMFFSNZDGORTDQ-UHFFFAOYSA-N 388.311 4.927 0 40 GJAB Cc1nc(Oc2ccc(-n3cncn3)cc2)c2c3c(sc2n1)CCCCC3 606154610 JEDLITSEOJJXOE-UHFFFAOYSA-N 377.473 4.642 0 40 GJAB COCc1cc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)ccc1OC 1558028512 YIBMCDONZPNGKA-UHFFFAOYSA-N 387.439 4.637 0 40 GJAB Fc1ccccc1Cc1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 632741 AKIHGUSPGIBZOB-UHFFFAOYSA-N 378.354 4.602 0 40 GJAB COC(=O)c1c(C)n(CCOc2cc(C)ccc2C(C)C)c2ccc(O)cc12 718967 MSXYGABTWBGUTB-UHFFFAOYSA-N 381.472 4.953 0 40 GJAB CCOC(=O)c1c(NC(=O)c2csc3c2CCCC3)sc2c1CCCC2 942086 UHXVTUIOZZVSRJ-UHFFFAOYSA-N 389.542 4.996 0 40 GJAB COc1ccc([C@@H](O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 1024722 IVIPOHNOZWHEMV-OAHLLOKOSA-N 380.284 4.823 0 40 GJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1nccs1 1175680 NSWQAOWDOBCLIO-DHZHZOJOSA-N 390.443 4.787 0 40 GJAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4C)cc3n2)cc1 1263272 BNAQTWPYQLCTEW-UHFFFAOYSA-N 386.455 4.688 0 40 GJAB CC[C@]1(C)Cc2c(sc3nc(SCc4cccc(F)c4)nc(N)c23)CO1 2209751 VZWVZHLDMPWJGX-LJQANCHMSA-N 389.521 4.946 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCc1ccccc1-2 2300973 BXFNSQHNYYMDLV-UHFFFAOYSA-N 377.465 4.943 0 40 GJAB aggregator CCN1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1 2324452 IBWRRUNCUDLQEW-UHFFFAOYSA-N 399.947 4.949 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 2644924 NCCIQGMIKRWGPG-UHFFFAOYSA-N 395.286 4.803 0 40 GJAB COc1ccc(-c2cc(-c3nnc4n3CCCCC4)n(-c3ccccc3)n2)cc1 3256846 OMRYDGVCKTXXAY-UHFFFAOYSA-N 385.471 4.533 0 40 GJAB Cc1cc(=O)[nH]c2sc(C(=O)Nc3ccccc3Oc3ccccc3)c(N)c12 3264516 VQLBLQKNKBLLBB-UHFFFAOYSA-N 391.452 4.525 0 40 GJAB CCOc1ccc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)cc1 3317111 COEXFPBYASFSLU-UHFFFAOYSA-N 389.860 4.749 0 40 GJAB Cc1ccc2c(CSc3nnc4c(Cl)cc(Cl)cn34)cc(=O)oc2c1 3416231 ZOCRIVAKOSIUPX-UHFFFAOYSA-N 392.267 4.743 0 40 GJAB Cc1ccc(NC(=O)CN(C)C(=O)CC(c2ccccc2)c2ccccc2)cc1 3555533 AEXGQHWKFHZOTO-UHFFFAOYSA-N 386.495 4.614 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1 4249079 PQEVBJMFEWFWET-UHFFFAOYSA-N 383.860 4.734 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1C 4585390 ONUGEJFBRBBFDH-UHFFFAOYSA-N 383.451 4.563 0 40 GJAB Cc1ccc(C)c(CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC(C)(C)C)cc32)c1 4965747 YWYMUOINMHJHHK-UHFFFAOYSA-N 394.515 4.536 0 40 GJAB COc1ccc2sc(N(CCCN(C)C)C(=O)c3ccc(C)c(C)c3)nc2c1 5122503 HWJOQAVYCGGYGX-UHFFFAOYSA-N 397.544 4.520 0 40 GJAB Oc1ccc2c(c1)Oc1ncn3nc(-c4cccs4)nc3c1[C@@H]2c1ccccc1 5176057 AEZRCVNYOIUYGO-GOSISDBHSA-N 398.447 4.844 0 40 GJAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 5241120 XKNUQAJUULARTA-UHFFFAOYSA-N 399.450 4.769 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc3c(s2)CCC3)cs1 5307981 QHVGHXPPPGHBOS-UHFFFAOYSA-N 398.509 4.735 0 40 GJAB COc1cc(/C=C/C(=O)OCc2csc(Nc3ccc(C)cc3)n2)ccc1O 5620566 FNUFWWPNRSZVPA-UXBLZVDNSA-N 396.468 4.666 0 40 GJAB Cc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccccc3)OC2=O)cc1 5814280 PSPZCLJSYOCPRV-HMMYKYKNSA-N 383.403 4.559 0 40 GJAB COC(=O)c1c(CSc2ncccn2)nc2ccccc2c1-c1ccccc1 6646795 IIGAERUNKBZJCK-UHFFFAOYSA-N 387.464 4.771 0 40 GJAB CSCC[C@@H](NC(=O)c1ccc(OCC(C)C)cc1)c1nc2ccccc2[nH]1 6654348 KTTLYROGSHXZMA-HXUWFJFHSA-N 397.544 4.822 0 40 GJAB Cc1ccc(F)cc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 6755359 WCSJNVIGDKJVRQ-UHFFFAOYSA-N 378.403 4.673 0 40 GJAB O=C(NCc1ccc(F)cc1)c1cn(Cc2ccccc2)nc1-c1ccccc1 8344609 NSHPMAQIHDDROZ-UHFFFAOYSA-N 385.442 4.668 0 40 GJAB O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(Cl)cc1Cl 8770033 VPRAXHFZJPONCO-UHFFFAOYSA-N 382.247 4.827 0 40 GJAB CC1(C)CCc2cc(Cc3nn4c(-c5cccs5)nnc4s3)ccc2O1 12322918 DCLAPQASJISXDB-UHFFFAOYSA-N 382.514 4.609 0 40 GJAB C[C@H](CN1CCC([C@H](NC(=O)C(C)(C)C)c2nccs2)CC1)c1ccccc1 12365687 LKEJPSTYVQFSDD-XLIONFOSSA-N 399.604 4.862 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C)c2)n1 14609618 VQRNWVVPWHDPMS-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC 16439882 UBAKCUZKKSIVTQ-WUXMJOGZSA-N 377.227 4.556 0 40 GJAB Cc1ccc(S[C@H]2CSc3nc(C)cc(=O)n3[C@@H]2c2ccccc2)cc1 16779215 YRISKBSJAJBYEM-AZUAARDMSA-N 380.538 4.716 0 40 GJAB O=C(Nc1cccc(C2SCCS2)c1)[C@H]1Cc2cc(Cl)ccc2O1 18216739 BQRBMEFLENLPSS-MRXNPFEDSA-N 377.918 4.761 0 40 GJAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)Cn2cnc3ccccc32)n1 19690589 JMNLQNOCMMBQHD-DEOSSOPVSA-N 396.494 4.770 0 40 GJAB COc1cccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 19934766 IWTVQLSQZAMGSX-WZONZLPQSA-N 375.468 4.677 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2ccnc2)cc1 20455578 AEHURZKGHRMWIX-LJQANCHMSA-N 385.920 4.713 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)OC)c1C 20488649 FVELZDNHDOJHNE-HXUWFJFHSA-N 377.440 4.731 0 40 GJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCCc1nc2ccccc2[nH]1 22431144 YTZYWFFEAICEME-UHFFFAOYSA-N 391.302 4.644 0 40 GJAB CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCCCC3)c(O)n2n1 22853094 GLAUMZWFDJKYII-GOSISDBHSA-N 384.549 4.758 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CN(C)[C@@H]3CCc4ccccc43)c2)cs1 29486340 ZHESKYNZIMZSNM-OAQYLSRUSA-N 377.513 4.676 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 30850711 FGCKNNNGFULVSJ-JTDSTZFVSA-N 383.001 4.695 0 40 GJAB C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 32664750 QFNYSNSPCNAFDR-NSHDSACASA-N 392.735 4.771 0 40 GJAB Cc1nc2sc([C@@H](c3ccccc3Cl)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36066088 DMOMWXGJLHUGAR-MQIPJXDCSA-N 390.940 4.526 0 40 GJAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38857370 NJSKAOXAGMFJME-QGZVFWFLSA-N 377.315 4.522 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCCC2)cc1 44855417 UAAYJXWTNOYSOR-NRFANRHFSA-N 378.516 4.623 0 40 GJAB COc1cc(CN(C(=O)Nc2cc(F)cc(F)c2)C2CC2)ccc1OC(F)F 47824205 KPKDXNZZNHIAAM-UHFFFAOYSA-N 398.356 4.771 0 40 GJAB Cc1nc(SCC(=O)Nc2cccc(Cl)c2C)cc(-c2ccccn2)n1 49007156 QROHYTSWAIPOCF-UHFFFAOYSA-N 384.892 4.540 0 40 GJAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1cccc(OCc2cccnc2)c1 49544289 LOHAPQBTUASNLS-GOSISDBHSA-N 376.460 4.736 0 40 GJAB Cn1ccnc1-c1nc(NCc2ccc(Cl)cc2)ncc1-c1ccccc1F 57775417 ATLKQKIBDYRUPI-UHFFFAOYSA-N 393.853 4.949 0 40 GJAB CC(=O)Nc1ccc(Br)cc1NC(=O)c1csc2c1CCCC2 58330760 LVIUKPKACRMVSJ-UHFFFAOYSA-N 393.306 4.600 0 40 GJAB Cc1[nH]c2ccc(CNc3cnn(-c4ccccc4)c(=O)c3Cl)cc2c1C 64947725 SEGUNLRMPFUOQP-UHFFFAOYSA-N 378.863 4.596 0 40 GJAB COc1ccccc1-c1nc(C(=O)N2CCCc3c(F)ccc(C)c32)cs1 66786736 XVOVQIHTEVUQPV-UHFFFAOYSA-N 382.460 4.859 0 40 GJAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)cc1F 67290140 MACVJFLLUCOJTC-UHFFFAOYSA-N 398.488 4.636 0 40 GJAB CC[C@@H](C)Sc1ccc(NC(=O)N2CCC(c3n[nH]c(C)n3)CC2)c(C)c1 72293203 OUDHYXJMWDHAEG-CQSZACIVSA-N 387.553 4.724 0 40 GJAB CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1Cl 75104788 JTPDSGPDGZPFFF-RDTXWAMCSA-N 377.916 4.522 0 40 GJAB O=C(c1cc(-c2ccccc2)on1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 84560083 VMSDFVZZELOCHJ-RBBKRZOGSA-N 390.483 4.850 0 40 GJAB O=C(c1cc(Cl)ccc1Cl)N1CCC(Oc2ncccc2Cl)CC1 96024785 VTGGSYQEMZOXMZ-UHFFFAOYSA-N 385.678 4.725 0 40 GJAB COCCn1c(C(=O)NCc2cccs2)cc2c1c1ccccc1n2C(C)C 96037302 XRAVXAXJJSXRTP-UHFFFAOYSA-N 395.528 4.815 0 40 GJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@@H](c4ccccc4)C3=C(O)C2)cc1 102736699 XXKBAGGTVZPQQX-YWZLYKJASA-N 388.427 4.707 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 103420011 HQEIXRPSZKYMIC-UYZIEWPDSA-N 391.467 4.521 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(Br)c2)cc1OC 216453446 VWXQKYYHGMJAJV-NSHDSACASA-N 396.306 4.586 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219325985 YTTUSCPNRGOCAT-GOSISDBHSA-N 399.878 4.514 0 40 GJAB CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 219404633 CCTIXIUYYNGSDX-UHFFFAOYSA-N 378.560 4.771 0 40 GJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 224193322 VWIFFWSYGCUEQQ-SFTDATJTSA-N 376.529 4.950 0 40 GJAB CCCCc1ccc(NC(=S)N2CCN(C3Cc4ccccc4C3)CC2)cc1 225210580 WWEHSSAFMLWAIV-UHFFFAOYSA-N 393.600 4.511 0 40 GJAB Cc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(N)cc2)cc1 225312367 WHYOYEUHDAVFOK-UHFFFAOYSA-N 386.904 4.626 0 40 GJAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c1 225538273 ZQTGLCCFMVEUDP-QGZVFWFLSA-N 381.545 4.786 0 40 GJAB CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OCC)cc3)nn2)cc1 408535551 ZNKLUGXGJLTDCM-UHFFFAOYSA-N 392.455 4.940 0 40 GJAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 408579722 JTXNBXBQGZGGIP-UHFFFAOYSA-N 382.485 4.950 0 40 GJAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccc3)o2)cc1 409170700 WTPIKYYEDLKKLA-UHFFFAOYSA-N 383.473 4.503 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)c1OC 409382283 QURQRXUOGPGYBI-FNORWQNLSA-N 382.243 4.671 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1)N1CC[C@@H]2C[C@H]2C1 666042442 BQSUOEBWBXJWPR-RZUBCFFCSA-N 389.499 4.538 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)Nc4cc(OC)ccc4C)c(N)c3cc2C1 661854 VNUCIKODVQQKFT-ZDUSSCGKSA-N 395.528 4.963 0 40 GJAB Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 2302222 YPSPMGPZNYUFJZ-GOTSBHOMSA-N 396.425 4.630 0 40 GJAB CC[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 2720039 DZUROFHJTRSGPT-JTQLQIEISA-N 397.363 4.534 0 40 GJAB S=C(NCCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 4088092 LMRZDODNVOVKNS-NRFANRHFSA-N 395.959 4.664 0 40 GJAB COc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccccc32)cc1OC 4129872 JXBIKFXOSXHRLB-UHFFFAOYSA-N 391.858 4.791 0 40 GJAB CCOC(=O)c1c(NC(=O)COc2cc(C)c(Cl)c(C)c2)sc(C)c1C 4558259 IKVJQQZQALNUAK-UHFFFAOYSA-N 395.908 4.829 0 40 GJAB Cc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816595 UJKPDXJMGINFQU-SFTDATJTSA-N 392.478 4.839 0 40 GJAB Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(C4CCCCC4)cc3)CC2)n1 4966072 AXGDDWWKMIBMEI-UHFFFAOYSA-N 392.547 4.996 0 40 GJAB COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccco3)C2)cc1 5024262 JDMIMQPXIOWUTJ-IBGZPJMESA-N 377.469 4.836 0 40 GJAB Cc1ccccc1C(=O)N(Cc1cccnc1)c1nc2c(F)cccc2s1 5142191 PJZJXFOJZDDQNF-UHFFFAOYSA-N 377.444 4.986 0 40 GJAB COC(=O)c1ccc(OC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 6169706 FKVRSCZKLGTJIO-UHFFFAOYSA-N 389.432 4.969 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1 6231639 ZCYMBJCUELEHTD-JTQLQIEISA-N 399.082 4.618 0 40 GJAB COc1cc(C)ccc1OCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 7063578 QUFJWOQQZFGTTQ-GOSISDBHSA-N 375.468 4.927 0 40 GJAB O=C(Cc1cccc2ccccc12)NCc1cc(Cl)c2c(c1)OCCCO2 7923079 XGTXLEOMRYAAGA-UHFFFAOYSA-N 381.859 4.513 0 40 GJAB COc1ccc(Cl)cc1NCC(=O)Nc1ccc(OCc2ccccc2)cc1 8230643 YIOORWRPLOIBPO-UHFFFAOYSA-N 396.874 4.978 0 40 GJAB Cc1ccc(CSc2nnc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)s2)cc1 8395319 IPRNVACRFDJGPY-OAHLLOKOSA-N 399.541 4.853 0 40 GJAB CC[C@@H](NC(=O)COc1cccc2cccnc12)c1ccc(Br)cc1 8429195 IVUPPAAVWINEKS-QGZVFWFLSA-N 399.288 4.644 0 40 GJAB COCCc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccc(C)cc3)n2)cc1 8703876 YNSZOVYIXLOPRP-INIZCTEOSA-N 396.512 4.713 0 40 GJAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1Cc1ccccc1 9709911 PLWNRCYJTLLONX-UHFFFAOYSA-N 395.466 4.518 0 40 GJAB CCOc1ccccc1CCCNC(=O)CSCc1c(F)cccc1Cl 10110888 MFRQQVDIDQOFSB-UHFFFAOYSA-N 395.927 4.860 0 40 GJAB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 10768491 NKYOKHDDFOBAIU-NSHDSACASA-N 392.286 4.781 0 40 GJAB Cc1csc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)n1 11374376 RJMFJUUFUZFMMH-UHFFFAOYSA-N 382.272 4.985 0 40 GJAB CC[C@H](C(=O)Nc1ccc(-c2cn3nc(OC)ccc3n2)cc1)c1ccccc1 11693486 BNXFENYBXDROJI-IBGZPJMESA-N 386.455 4.537 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)c2cccc(OCCC)c2)cc1 12062604 UTVUEJIDBCFFFK-UHFFFAOYSA-N 381.432 4.567 0 40 GJAB CC(C)(C)c1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 12863789 VLTKRNYCUNKHIE-UHFFFAOYSA-N 392.455 4.847 0 40 GJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1OC[C@H]1CCCO1 12904053 AFWCAEGSCCCMAU-CYBMUJFWSA-N 397.805 4.752 0 40 GJAB O=C(OC[C@H]1CC1(Cl)Cl)c1ccccc1C(=O)c1ccc(Cl)cc1 12905749 NZHIQOJEGHMZCE-GFCCVEGCSA-N 383.658 4.922 0 40 GJAB CC(C)n1ncc2cc(C(=O)Nc3cc(Cl)ccc3N3CCCC3)cnc21 14711731 VNWFEXVFYFEXNO-UHFFFAOYSA-N 383.883 4.518 0 40 GJAB CCOc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1OCC 15017913 IUWSFDKGGAQTDK-OAHLLOKOSA-N 390.277 4.525 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1ccc(Br)cc1 15960745 HSLZRZGTWKOLTG-ZDUSSCGKSA-N 376.294 4.980 0 40 GJAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)/C(=C/c3cnn(C)c3C)C[C@H]12 17080254 CYLDEGQGXAFYIQ-NOEULQIYSA-N 392.543 4.648 0 40 GJAB COCCSc1nc(-c2ccc(Br)cc2)nc2ccccc12 18262318 RPSZLFCVWDOORE-UHFFFAOYSA-N 375.291 4.798 0 40 GJAB CCCc1ncc(CN[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccc(OC)c(OC)c2)cn1 19525788 HJGQSRSVIWCOGO-WJNSRDFLSA-N 395.547 4.508 0 40 GJAB Cc1sc(NC(=O)CCC2CCCCC2)nc1-c1ccc2c(c1)NC(=O)CO2 19796455 MPRXRVQDDOVVNR-UHFFFAOYSA-N 399.516 4.748 0 40 GJAB Clc1ccc(COc2cccc(CN[C@@H]3CN4CCC3CC4)c2)c(Cl)c1 20477074 FMXLWVYQTRYWTE-OAQYLSRUSA-N 391.342 4.756 0 40 GJAB COc1cccc(CN(C)C(=O)c2sc3ccccc3c2Cl)c1OC 21635846 WSYFLCAHLBPSBX-UHFFFAOYSA-N 375.877 4.844 0 40 GJAB COc1ccc(Nc2ncccc2C(=O)Nc2cccc(Br)c2)cc1 22072605 XRYDRVPRTMQWAY-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB COc1cccc([C@@H](CNCc2ccco2)c2c[nH]c3ccccc23)c1OC 23935283 GKZYPMOVYWZZEE-LJQANCHMSA-N 376.456 4.700 0 40 GJAB Cc1ccc(C(N)=O)c(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 25244362 LDVWFHRDMOAMCN-UHFFFAOYSA-N 392.402 4.815 0 40 GJAB Cc1cc(NC(=O)CCSCc2csc(-c3ccc(F)cc3)n2)no1 32778869 CQWQFLSAXXNYCX-UHFFFAOYSA-N 377.466 4.508 0 40 GJAB O=C(NCCc1ccc(F)cc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 36395269 CMVMOELLVBBSNX-ZWKOTPCHSA-N 380.488 4.844 0 40 GJAB Cc1nc2cc3c(cc2c(C)c1C(=O)Nc1ccccc1C(F)(F)F)OCO3 57938377 LTEADAVXBJFEIY-UHFFFAOYSA-N 388.345 4.851 0 40 GJAB CC(C)N(Cc1ccccc1)Cc1nc(-c2cc(Br)cs2)no1 59833645 ZGNFWWQWJONETG-UHFFFAOYSA-N 392.322 4.971 0 40 GJAB O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCOC[C@@H]1c1ccccc1 72303773 YYJLXBSLTSLWLN-LJQANCHMSA-N 398.915 4.606 0 40 GJAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc2nc(C(C)C)sc2c1 84631195 BONQITJSNUMYPD-UHFFFAOYSA-N 391.496 4.875 0 40 GJAB Cc1nc2scc(C3CC3)n2c1CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 89547634 BZPGHQXRIYBJAK-ZDUSSCGKSA-N 394.544 4.781 0 40 GJAB COc1ccccc1[C@@H]1SC(C)=Nc2c1c(O)nn2[C@@H]1CCOC(C)(C)C1 95475594 HYTRLZZPWOBMGQ-DYVFJYSZSA-N 387.505 4.614 0 40 GJAB Cn1cc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)c(C(F)(F)F)n1 95948378 DVABMMVAZOBOCP-UHFFFAOYSA-N 396.372 4.906 0 40 GJAB CCCCO[C@H](C)C(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 95986093 KQBRXJUZBGILMS-KNQAVFIVSA-N 390.568 4.610 0 40 GJAB C[C@@H](NC(=O)CSCc1ccccc1Br)[C@H]1C[C@H]2CC[C@H]1C2 108842173 FUQCFIAXZNMTAB-ORIJERBGSA-N 382.367 4.623 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)c1C 219606478 IGBAQUMUAMFTAU-SFHVURJKSA-N 375.852 4.621 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3cccnc3)N21 222685385 YVECDQRTJJDVTG-TYCQWZJGSA-N 389.528 4.555 0 40 GJAB Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 222696559 OZBIDEUVPAFMEE-FQEVSTJZSA-N 394.559 4.568 0 40 GJAB CC(C)CSc1nnc(NC(=O)c2ccc(CN3CCCCC3)cc2)s1 222899620 QARILUHVBOUCTI-UHFFFAOYSA-N 390.578 4.524 0 40 GJAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C)c2)cc1 224099644 YJXUSWQDXSEGPY-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(C)cc1 224127887 MDDNAUVKPYQMBK-UHFFFAOYSA-N 387.479 4.781 0 40 GJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2C)c1 224909717 FYQUQTMMZMQJTC-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)ccc21 225123061 HQKGANNYVLDTEP-HNNXBMFYSA-N 398.528 4.921 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 225526566 JLKGKSYDWQXJPG-OFNKIYASSA-N 394.559 4.568 0 40 GJAB COc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1 225606068 CKTBGXBMXXVGFY-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB COc1cc(C)c(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1C(C)C 225669824 BTVWSOSWMQRXBF-UHFFFAOYSA-N 399.878 4.760 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)NC2(c3ccccc3C)CCCC2)c1 225856034 HRBHBDMLKWBLGV-UHFFFAOYSA-N 382.529 4.846 0 40 GJAB Cc1cc(C)nc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1 408543210 NQJJEVUPACGSDM-UHFFFAOYSA-N 376.696 4.784 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 408629337 XLNVWZLDZAAJHE-UHFFFAOYSA-N 388.895 4.846 0 40 GJAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCCOc1ccccc1 409207375 SXIVMVDUOYUZLJ-UHFFFAOYSA-N 385.529 4.705 0 40 GJAB CCc1ccc(N(C(=O)[C@H](OC)[C@H]2CCOC2)c2nc3ccccc3s2)cc1 622765451 QZFFCEWBMURFBH-OXJNMPFZSA-N 396.512 4.575 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)CCOc2ccccc2)CN1c1cccc(F)c1 1615156817 LBHZLBKRJQFXTC-XMMPIXPASA-N 396.506 4.645 0 40 GJAB CSCC[C@H](NC(=O)c1oc2ccccc2c1C)c1nc2ccccc2[nH]1 3334314 FLMLHPYVXWHWJB-KRWDZBQOSA-N 379.485 4.842 0 40 GJAB CCCCOc1ccc(-c2nnn(Cc3c(Cl)cccc3Cl)n2)cc1 4130094 GEAXCMPRNGNKFW-UHFFFAOYSA-N 377.275 4.874 0 40 GJAB CC[C@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1ccccc1Cl 4772645 AVEBTIMALLPEHM-LJQANCHMSA-N 384.871 4.746 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)c(OC)c1 4881173 YDVPYSZIBCUUMZ-UHFFFAOYSA-N 393.226 4.918 0 40 GJAB CCCCN(C(=O)c1ccccc1OC)c1nnc(-c2cccc(C)c2)s1 4982517 WWJLEAHSRRNWJM-UHFFFAOYSA-N 381.501 4.969 0 40 GJAB CC(C)(Cn1ccc(O)c(Cc2ccccc2)c1=O)SCc1ccc(F)cc1 5832133 OTUNLYZALWZOCW-UHFFFAOYSA-N 397.515 4.996 0 40 GJAB O=C(Nc1ccc(-c2ccccc2)cc1)C1CCN(C(=O)c2cccs2)CC1 7129925 IKRCVNMWEYWFDU-UHFFFAOYSA-N 390.508 4.906 0 40 GJAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3ccc(Cl)cc3Cl)o2)cc1 7398101 QNKJSZOJWCDWFJ-SNVBAGLBSA-N 393.226 4.970 0 40 GJAB CC(=O)c1cccc(NC(=O)CNc2ccccc2CN(C)C2CCCCC2)c1 7976980 MSAUMDQZWQWBST-UHFFFAOYSA-N 393.531 4.704 0 40 GJAB c1ccc(-c2nnc(CSc3nnc(-c4cccs4)n3C3CC3)o2)cc1 8072205 KAULIRRNLUFCBF-UHFFFAOYSA-N 381.486 4.684 0 40 GJAB Cc1cccc(N2CCN(C(=O)c3cc(C4CC4)nc4ccccc34)CC2)c1C 8137475 DFINJSCUIANHJN-UHFFFAOYSA-N 385.511 4.691 0 40 GJAB COc1ccc(CCNc2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)cc1OC 8225587 PGMPXTZBLUPMLR-UHFFFAOYSA-N 399.516 4.629 0 40 GJAB O=C(CN(C1=NCCCCC1)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 8418851 PQVVTWZRKPVVQT-UHFFFAOYSA-N 384.863 4.731 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2ccccc2F)CC1 9063468 ROELTSIPQHQGFQ-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 9435563 SXUCKPZYKUGFBL-UHFFFAOYSA-N 392.842 4.714 0 40 GJAB CC(C)[C@H](NC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc2c(c1)OCCO2 9936612 VEMOJOVJTWBZNL-VXKWHMMOSA-N 380.488 4.605 0 40 GJAB O=C(c1ccccc1)C1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 9986519 PUXQOUDYKYWQJG-UHFFFAOYSA-N 399.490 4.854 0 40 GJAB O=C(NCCCn1ccc2ccccc21)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 10058116 CZAUVVGRLSLPMQ-RBUKOAKNSA-N 386.417 4.970 0 40 GJAB O=C(CCC1CCCCC1)NC(Nc1cccnc1)(C(F)(F)F)C(F)(F)F 12374834 CGWMVEDPPGKICC-UHFFFAOYSA-N 397.363 4.791 0 40 GJAB C[C@H](NC(=O)Cc1csc(SCC(=O)c2ccccc2)n1)c1ccccc1 12444141 VYLCUOSUDUFAGD-HNNXBMFYSA-N 396.537 4.538 0 40 GJAB CCc1ccc([C@H](C)NC(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)cc1 12798951 JHXZHFNBWITRFM-KKSFZXQISA-N 392.524 4.659 0 40 GJAB Cn1c(Cl)cnc1COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 18320874 FVHAPPNJIPZENL-MBWAJUJLSA-N 384.907 4.655 0 40 GJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)c1 20412389 FYKGZKXWLHDVGP-GFCCVEGCSA-N 384.457 4.513 0 40 GJAB O=C(c1cc2cc(Cl)ccc2o1)N1CCN(C/C=C/c2ccccc2)CC1 20623811 QKNLFQHVDMSKIX-QPJJXVBHSA-N 380.875 4.557 0 40 GJAB CC(C)c1c(C(=O)N[C@H](C)CCc2ccco2)cnn1-c1cccc(Cl)c1 23109355 DYIDBYXKBWGWDH-OAHLLOKOSA-N 385.895 4.993 0 40 GJAB C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccc(F)cc1F 24843208 JFGFCCBJFLVXHM-VIFPVBQESA-N 379.204 4.700 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 24992878 MFMBRYGYWZTJSP-UHFFFAOYSA-N 386.860 4.659 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc(C)c2C)c(C)c1 26441878 PNSQQZXOATUROE-UHFFFAOYSA-N 380.517 4.540 0 40 GJAB CCCCOc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1 28288499 WFBQLYQJRAQQPY-UHFFFAOYSA-N 380.513 4.962 0 40 GJAB O=C(Cc1cn2ccccc2n1)Nc1ccc(Oc2ccccc2Cl)cc1 30180639 IUAAEMHFXQTNPR-UHFFFAOYSA-N 377.831 4.961 0 40 GJAB Cn1nc(C(=O)Nc2ccc(-c3ccc(C(C)(C)C)cc3)cc2Cl)ccc1=O 31982543 AOIDYSJVSFDSMK-UHFFFAOYSA-N 395.890 4.651 0 40 GJAB CC[S@@](=O)c1ccccc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 32722391 JYSOCZIVZYNRTK-CRYYWNKWSA-N 377.509 4.972 0 40 GJAB O=C(COc1ccccc1-c1noc(-c2cccc3ccccc23)n1)N1CCCC1 33325111 VZZCDCHKRARCKL-UHFFFAOYSA-N 399.450 4.558 0 40 GJAB CCN(CC)C(=O)c1cc(-c2ccco2)nc2onc(-c3ccc(C)cc3)c12 36618430 SJUKXMVJBDJWEA-UHFFFAOYSA-N 375.428 4.940 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(C)c(C)c2)cc1OC 40039807 AWVHXBHPWNFQCH-FQEVSTJZSA-N 395.499 4.647 0 40 GJAB Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(Br)cc3F)c12 40282970 PHGQZQUYJOZZRR-UHFFFAOYSA-N 392.228 4.809 0 40 GJAB Cc1nc2nc3ccn(C4CCCCC4)c(=O)c3c(-c3cccc(Cl)c3)n2n1 40398342 RYPTWVZKCKNEFC-UHFFFAOYSA-N 393.878 4.573 0 40 GJAB COc1ccc(C(=O)NC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1Br 41107601 UIOFZVYOJVGNKB-GOSFSIBNSA-N 392.337 4.937 0 40 GJAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(I)cc1 42200189 LCUUDHDLRCDVTH-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(OC)c(Cl)cc1OC 44842122 UTYBBGREYJVKRT-INIZCTEOSA-N 377.868 4.770 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 44916227 HJTJUQANTRZYKT-UHFFFAOYSA-N 394.559 4.822 0 40 GJAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCCc1ccc(Cl)cc1 71326507 HTOQFJRHZKNJCM-UHFFFAOYSA-N 399.947 4.732 0 40 GJAB COc1ccc2cc(CNc3ccc(N4CCCCCC4)cc3)c(=O)[nH]c2c1 72396139 AEJLCDQAALCVQM-UHFFFAOYSA-N 377.488 4.529 0 40 GJAB CC(C)(C)OC(=O)NC1(CNC(=O)Nc2cccc(Cl)c2)CCCCC1 73633268 QHRCHNAZWGPNPH-UHFFFAOYSA-N 381.904 4.689 0 40 GJAB Cn1cc(-c2cccs2)nc1CCNC(=O)Nc1cccc(C(F)(F)F)c1 90606983 VLWVIFKXHQDOLX-UHFFFAOYSA-N 394.422 4.532 0 40 GJAB Cc1ncc(Cl)c(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)n1 92093270 KFAMLHIQTICHHL-IUODEOHRSA-N 383.801 4.523 0 40 GJAB O=C(C[C@H]1OCCc2ccccc21)Nc1ccccc1CN1CCc2ccccc21 95959813 RKIFDSVDSHPTLF-RUZDIDTESA-N 398.506 4.892 0 40 GJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(Cl)cc2)S1 96117207 NPCPRDFXJISNMZ-GOEBONIOSA-N 391.924 4.846 0 40 GJAB O=C(Nc1ccccc1-c1cn[nH]c1)c1cccc(NC(=O)C2CCCCC2)c1 97108995 CKPCXQADESKIAN-UHFFFAOYSA-N 388.471 4.848 0 40 GJAB CCc1ccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 100423225 GBWQJXIOSXCDEM-FGZHOGPDSA-N 379.573 4.731 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\Nc3ncccc3C)c3ccccc3C2=O)cc1C 103005282 QUHMFFHBFHQAKE-STZFKDTASA-N 383.451 4.647 0 40 GJAB O=C1CCc2cc(NCc3nc(-c4c(F)cccc4F)cs3)c(F)cc2N1 155804471 RHCXGHUCEKENEV-UHFFFAOYSA-N 389.402 4.724 0 40 GJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1C)c1ccc(OC)c(OC)c1 219370291 ZHEWSCCXFTZFKP-RBUKOAKNSA-N 385.504 4.746 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 222776529 TZRRZJMCVYYTPM-LJQANCHMSA-N 395.543 4.869 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 222930809 RXQXPIDPGBYSEP-NHCUHLMSSA-N 394.519 4.640 0 40 GJAB CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 223606701 YVFRCMXVYRDPJY-UHFFFAOYSA-N 378.560 4.648 0 40 GJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 224633098 IFRLWWKEBMAKAY-HSZRJFAPSA-N 394.559 4.507 0 40 GJAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)s2)cc1 225357718 FOAVFZDJZQCYPM-AWEZNQCLSA-N 397.500 4.743 0 40 GJAB Cc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1N1CCCC1=O 225378137 VSPOWYTUSRNXHP-UHFFFAOYSA-N 391.298 5.000 0 40 GJAB Cc1cccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)n1 225535546 QGCWHZOXURWCOY-UHFFFAOYSA-N 381.476 4.595 0 40 GJAB O=C(CCc1ccc(Cl)c(Cl)c1)N[C@H](c1cccnc1)C1CCOCC1 225619423 NEJLHUJFQDGOCR-FQEVSTJZSA-N 393.314 4.605 0 40 GJAB CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)c2ccccc12 225915004 PBZZYYRQAFVQIR-UHFFFAOYSA-N 391.467 4.929 0 40 GJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1C 409093211 ZHRMWSDFHGESCY-UHFFFAOYSA-N 394.544 4.627 0 40 GJAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C 409377868 LTQYRGZQAHIMFR-UHFFFAOYSA-N 390.483 4.942 0 40 GJAB FCC1(CF)CC(NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 657881308 MCOXTZPNEZELAF-UHFFFAOYSA-N 377.306 4.635 0 40 GJAB O=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 990457 KBRAAZYRIXSSAG-UHFFFAOYSA-N 393.826 4.632 0 40 GJAB COc1ccc(-c2nnc(N(CC(C)C)C(=O)c3ccc(F)cc3)s2)cc1 1356531 STRMCMFCFFQFDY-UHFFFAOYSA-N 385.464 4.656 0 40 GJAB O=C(COC(=O)c1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 1962570 NWQJILVZAKTPIN-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1ccc(F)cc1 2091798 AKSJOQSIHUIONZ-UHFFFAOYSA-N 389.382 4.617 0 40 GJAB biogenic COC(=O)c1cc(CSc2nnc(Nc3ccc(C)cc3C)s2)oc1C 2637560 MTGXJTVQHUAVMF-UHFFFAOYSA-N 389.502 4.879 0 40 GJAB CN(C)CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 2714753 JWMPOVSJMGSQHN-UHFFFAOYSA-N 389.478 4.590 0 40 GJAB O=C1CCCC[C@H]1Sc1nnc(Cc2cccs2)n1CCc1ccccc1 3504428 HYMVRLWIIVVESI-LJQANCHMSA-N 397.569 4.777 0 40 GJAB O=C(c1cccc(C(F)(F)F)c1)N1CCN=C1SCc1ccccc1F 4120544 VMEWAMYDZPISJJ-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB Cc1ccc(COc2c(Br)cc(CO)cc2Br)cc1 4364819 VYPQISFNRXWFPW-UHFFFAOYSA-N 386.083 4.591 0 40 GJAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 4953312 NISZBEVTTILJQT-QGZVFWFLSA-N 390.270 4.568 0 40 GJAB Cc1ccccc1-c1nnc(SCC(=O)c2ccc(Br)s2)o1 5435128 YMFBTCZFYBCYAL-UHFFFAOYSA-N 395.303 4.844 0 40 GJAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)N1CCCCC1 6365107 ZIFICOXQQGZNLE-UHFFFAOYSA-N 387.505 4.602 0 40 GJAB Cc1nc(C)c(C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)s1 6367067 FVJVQVFCAOEQFD-OAQYLSRUSA-N 399.443 4.864 0 40 GJAB O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccncc1 6372853 VPSZCYAXDIZJAZ-UHFFFAOYSA-N 385.345 4.605 0 40 GJAB CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1c(Cl)cccc1Cl 6820049 PSFGRFIQXYNETN-ZDUSSCGKSA-N 384.303 4.850 0 40 GJAB O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 7889516 PZSKVZHSCRFITA-IBGZPJMESA-N 375.852 4.825 0 40 GJAB Cc1cccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(F)cc2)c1C 8476603 GVINIPGSWHKVGW-UHFFFAOYSA-N 392.478 4.753 0 40 GJAB Cc1nc(SCc2noc(-c3ccc(F)cc3)c2C)c(C(N)=O)c(C)c1C 8704936 OCNRYGRJLLJFKQ-UHFFFAOYSA-N 385.464 4.501 0 40 GJAB c1ccc(Cc2nnc(SCc3cn4ccccc4n3)n2-c2ccccc2)cc1 8706520 NQQRGYCMQLXQOS-UHFFFAOYSA-N 397.507 4.798 0 40 GJAB COc1cc2c(cc1/C=C(\CC(=O)O)c1nc3ccccc3s1)O[C@@H](C)C2 9481563 DYFSFEGMEQKNSI-AAWHYMEISA-N 381.453 4.644 0 40 GJAB O=C1c2ccccc2N[C@H](c2c(Cl)nc3ccccn23)N1c1ccc(F)cc1 9516373 SLMUWTGMLBBJAK-FQEVSTJZSA-N 392.821 4.898 0 40 GJAB COc1ccc(C2=NN3[C@H](c4ccc(OC)cc4)Oc4ccccc4[C@H]3C2)cc1 12195459 VHXQCBDSNBJIGN-VWNXMTODSA-N 386.451 4.946 0 40 GJAB CC[C@H](C)c1cc2c(cc1[C@H](C)CC)OCCOCCOCCOCCO2 12418686 XHJKANYIENENGN-HDICACEKSA-N 380.525 4.535 0 40 GJAB O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1c1ccc(OC(F)F)cc1 12608168 ASUSDWZGIHMCLU-IBGZPJMESA-N 382.366 4.765 0 40 GJAB COc1ccc(C(C)=O)cc1Cn1c(COc2ccccc2)nc2ccccc21 12631110 FNRAFZQYTQTVAI-UHFFFAOYSA-N 386.451 4.875 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1 12691909 TYGXWULCJOKUMZ-UHFFFAOYSA-N 376.422 4.870 0 40 GJAB COc1ccc(CNC(=O)[C@H](C)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 12748885 OZKUOYRIHSFJPP-OALUTQOASA-N 388.511 4.718 0 40 GJAB COc1ccc(-c2noc(CSCc3ccccc3Cl)n2)cc1OC 12813486 WMWWJNBYDXQIFG-UHFFFAOYSA-N 376.865 4.841 0 40 GJAB COc1cccc(-c2cc(CC(=O)Nc3ccccc3C(F)(F)F)no2)c1 12865595 YGAUSAGXKUWSSV-UHFFFAOYSA-N 376.334 4.550 0 40 GJAB C[C@@H]1CCc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 12872930 MAVRVZCDVKCMNM-GOSISDBHSA-N 394.478 4.916 0 40 GJAB COc1ccc(OCCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cc1 12919085 HAALNJIOUYIXLV-QFIPXVFZSA-N 383.488 4.617 0 40 GJAB CCNc1c(NC(=O)c2ccc(Cl)c(Cl)c2)c(=O)oc2ccccc12 16681919 PHOMJJBGQQPWIB-UHFFFAOYSA-N 377.227 4.784 0 40 GJAB O=C(CCCOc1ccccc1)Nc1nnc(SCc2ccccc2)s1 20836412 JIZJCXUIOZEPTL-UHFFFAOYSA-N 385.514 4.628 0 40 GJAB O=C(CCCSc1nnc(NCc2ccco2)s1)c1ccc(F)cc1 22087346 QEPIDALDZDSDNK-UHFFFAOYSA-N 377.466 4.638 0 40 GJAB CN(C(=O)CSc1ncc2ccccn12)C(c1ccccc1)c1ccccc1 26371518 QKHKTZBAICXGKU-UHFFFAOYSA-N 387.508 4.674 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1cccc(F)c1)c1ccccn1 28292969 PLQFTPBRYKCZLC-LJQANCHMSA-N 382.410 4.751 0 40 GJAB Cc1nc(COc2ccc(C(=O)N(Cc3ccccc3)C3CC3)cc2)cs1 31069657 QXKSLFROCJAVSW-UHFFFAOYSA-N 378.497 4.835 0 40 GJAB Cc1ccc(CN(C)Cn2nc(-c3cccs3)c3ccccc3c2=O)cc1 31732553 QDIJLMPPRQZJGO-UHFFFAOYSA-N 375.497 4.523 0 40 GJAB CCOc1cc(C(=O)Nc2nc(C(C)C)cs2)ccc1OCc1cccnc1 32795864 URRZGBUGKCMUPB-UHFFFAOYSA-N 397.500 4.892 0 40 GJAB Cc1ccc(/C=C/c2nn(CN(C)Cc3c(F)cccc3Cl)c(=S)[nH]2)o1 32899376 CWHNLTBMYVNCAW-CMDGGOBGSA-N 392.887 4.895 0 40 GJAB COc1ccccc1CNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 32905361 BLWWBPABKDJWFD-UHFFFAOYSA-N 379.843 4.510 0 40 GJAB CCN(Cn1nc(C)n(Cc2ccccc2)c1=S)C1C2CC3CC(C2)CC1C3 32935470 OPITVERBVHWMRK-UHFFFAOYSA-N 396.604 4.875 0 40 GJAB Cc1c(C)n(-c2nc3ccccc3s2)c2ncn3nc(-c4ccccc4)nc3c12 44928682 LXXDCWHJUQCONP-UHFFFAOYSA-N 396.479 4.962 0 40 GJAB CCN(C(C)=O)c1nc(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)cs1 48262225 YULWCYLTNRZDNB-UHFFFAOYSA-N 398.359 4.987 0 40 GJAB O=C(/C=C/c1c(F)cccc1F)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 65627117 HLPAAPUKWIVNBO-VAWYXSNFSA-N 379.410 4.817 0 40 GJAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)c1ccc[nH]1 69490655 FOWDLUSUACTJJP-SQFISAMPSA-N 398.418 4.682 0 40 GJAB O=C(CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)Nc1ccccc1F 72092935 AMOOTJWXORQICT-SFHVURJKSA-N 397.277 4.535 0 40 GJAB COc1ccccc1Cc1cc(C)nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)c1 72353934 DJRNSFFAUUGTPG-JOCHJYFZSA-N 392.543 4.886 0 40 GJAB COc1ccc(-c2cc(NCc3ccc(Br)cc3F)no2)cc1 72427591 DQRJZDRCNLCCNP-UHFFFAOYSA-N 377.213 4.864 0 40 GJAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCC(F)(F)F)nc1 84736552 DJJHDOLYPNELBO-ZDUSSCGKSA-N 385.411 4.626 0 40 GJAB O=C(NCc1cccc2ccccc12)N1CCC(CSc2ccccn2)CC1 90608065 SXQKPDZHTHCHGG-UHFFFAOYSA-N 391.540 4.949 0 40 GJAB Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CCS1 219267082 DUCPXFKSRUBSDR-QFIPXVFZSA-N 391.540 4.560 0 40 GJAB CCCCOCc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OCC 224724338 KWGPUQRIEIRZEJ-UHFFFAOYSA-N 375.896 4.985 0 40 GJAB CC(C)Sc1nnc(NC(=O)CSCc2c(F)cccc2Cl)s1 224724993 ZWZBYJSEXQZTBG-UHFFFAOYSA-N 391.946 4.703 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2cccc(Br)c2)cc1C(C)C 225451148 YSNZKXNGWCDRQR-UHFFFAOYSA-N 398.322 4.690 0 40 GJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C 225584912 REBZWPMHJHHRBU-GOSISDBHSA-N 397.515 4.868 0 40 GJAB CCSc1ccccc1C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 244986257 JMYHZPIQQDLWLZ-LJQANCHMSA-N 389.567 4.588 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 408563129 JLLWFGJMFNMRQM-UHFFFAOYSA-N 384.545 4.657 0 40 GJAB CCCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccc(C)cc3o2)c1 408628700 WEIURAPFICQQJP-UHFFFAOYSA-N 383.473 4.512 0 40 GJAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 408629190 OSAQLVSGICIPIF-IZZDOVSWSA-N 397.950 4.867 0 40 GJAB O=C(Nc1ccccc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408699914 XCJNBTVRMOEYJX-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB CCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(Cc3ccc(F)cc3)c12 409142978 MJCSTNCEDPKDDX-ZDLGFXPLSA-N 380.444 4.715 0 40 GJAB O=C(CSc1cccc(C(F)(F)F)c1)NCc1cnccc1C(F)(F)F 621201155 LMVIEORVJNHCNY-UHFFFAOYSA-N 394.340 4.528 0 40 GJAB O=C(c1ccc2ccccc2c1)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@H]21 656408304 XDMMPDFTXPAWIC-POTDNYQPSA-N 396.534 4.822 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 713030 NHIQMKBOJHQXPS-HNNXBMFYSA-N 394.858 4.998 0 40 GJAB CC1CCN(C(=S)Oc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)CC1 819720 WIINBTNSXDWZEA-UHFFFAOYSA-N 388.920 4.988 0 40 GJAB CCc1ccc(-c2nc(Nc3ccc(C(=O)OC)cc3)sc2CC(=O)O)cc1 979679 REAWMRDYDRVBPL-UHFFFAOYSA-N 396.468 4.530 0 40 GJAB CCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1-c1ccco1 1364359 SQMNVUHWGLNLQN-UHFFFAOYSA-N 398.532 4.804 0 40 GJAB Cc1c(C(=O)OCCOc2ccc(Cl)cc2Cl)sc(=S)n1C 2239618 XFNIXPYNKUAQLX-UHFFFAOYSA-N 378.302 4.667 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccn(COc2ccccc2Cl)n1 2786369 FZRBIKODFAQGGQ-UHFFFAOYSA-N 380.206 4.618 0 40 GJAB O=[S@@](CC(O)(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1 3128415 DOMYPULKFPEEIB-AREMUKBSSA-N 392.854 4.662 0 40 GJAB O=C1c2ccccc2[C@@H]2c3[nH]c4ccccc4c3[C@@H](c3ccc4c(c3)OCO4)CN12 4084888 NPLQAJWRJOQYGL-HOYKHHGWSA-N 394.430 4.587 0 40 GJAB biogenic CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)c1 4492341 ZBGCSSWBMXEPHV-INIZCTEOSA-N 393.512 4.631 0 40 GJAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)c(C)c1 4681852 HLCNZUWWTRJRGI-UHFFFAOYSA-N 396.556 4.728 0 40 GJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(C)c1)OCO3 4849534 QSOWMWYZSQJLPZ-UHFFFAOYSA-N 380.469 4.565 0 40 GJAB Cc1c(C(=O)N2CCc3ccccc32)sc2nc(-c3ccc(F)cc3)cn12 4930872 OFSBNXNNZKHKER-UHFFFAOYSA-N 377.444 4.713 0 40 GJAB CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccccc4F)nc(N)c23)CO1 5269712 LUAWWWNYMGKSPT-AWEZNQCLSA-N 389.521 4.802 0 40 GJAB COc1ccccc1-n1c(S)nnc1COc1ccccc1-c1ccccc1 6182165 QNLXBWZZWVTYKI-UHFFFAOYSA-N 389.480 4.811 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)CCCOc3ccccc3)n2)c1 6261052 OHRKHBAIUPKBFY-UHFFFAOYSA-N 398.484 4.625 0 40 GJAB C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccccc1F 6612041 IZDNQFNJFJMHHC-AWEZNQCLSA-N 391.398 4.634 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(F)c(F)c3)s2)c1 6623629 ZMWTYKYSXHVNBD-UHFFFAOYSA-N 392.456 4.599 0 40 GJAB CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(CC)CC)c3N2)cc1 6759778 VNEAOSQSBMZIFD-IRXDYDNUSA-N 394.441 4.588 0 40 GJAB Cc1nc(SCC(=O)Nc2ccc(F)cc2F)c2c(C)c(C)sc2n1 6879061 WEKKESZCOXMPHK-UHFFFAOYSA-N 379.457 4.626 0 40 GJAB CCOc1cc(C[C@H]2SC(=O)N(CC)C2=O)ccc1OCc1ccc(C)cc1 6952914 KROFNDMSCURNAN-HXUWFJFHSA-N 399.512 4.599 0 40 GJAB Cc1ccc2[nH]c(SCC(=O)N[C@@H](c3ccccc3)c3cccs3)nc2c1 8065694 LETIABNYLLPUCM-FQEVSTJZSA-N 393.537 4.931 0 40 GJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCC[C@H]2CCCC[C@@H]21 8187240 CNTOHWFNZASGLT-NQIIRXRSSA-N 386.499 4.729 0 40 GJAB Cc1nc2cc(NC(=O)c3cccnc3SCc3c(C)noc3C)ccc2o1 8327518 ZYGFIRFZUPOXFX-UHFFFAOYSA-N 394.456 4.681 0 40 GJAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2cc(C)ccc2C)cc1OC 8410733 SAZKDEANGHMQST-UHFFFAOYSA-N 394.515 4.982 0 40 GJAB COc1cccc2c1N(S(=O)(=O)c1ccc(C3CCCCC3)cc1)CCC2 8783340 GCZMKCXGWXQRQA-UHFFFAOYSA-N 385.529 4.884 0 40 GJAB C[C@H](Sc1nnc(Nc2ccccc2F)s1)c1nc2ccccc2c(=O)[nH]1 9544913 GEIBTVPCRGHGAS-JTQLQIEISA-N 399.476 4.511 0 40 GJAB O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)c(Cl)c1 10156760 OKRKBSVFTKCHLJ-UHFFFAOYSA-N 397.261 4.508 0 40 GJAB CC(C)c1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccccc1)C3 10156947 OXDSKGSHAGHEIC-GOSISDBHSA-N 382.467 4.827 0 40 GJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(Br)cc1F 11375262 UZJYZEKYXXFKDR-UHFFFAOYSA-N 389.224 4.815 0 40 GJAB C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1Cl 12601623 AQEYBIXATSHDNW-ZDUSSCGKSA-N 396.903 4.691 0 40 GJAB Cc1sc2ncnc(N[C@H](C)C(=O)Nc3ccc4ccccc4c3)c2c1C 12681882 HCUHVUHEKINQOU-CYBMUJFWSA-N 376.485 4.900 0 40 GJAB CCCOc1c(Cl)cc(C(=O)Nc2ccsc2C(=O)OC)cc1OCC 12803624 KPTINMPKDUHVRE-UHFFFAOYSA-N 397.880 4.628 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)c1 14553164 JUKJHWUFOHTLAH-SFHVURJKSA-N 388.467 4.962 0 40 GJAB CC[C@@H](NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1)c1c(C)nn(CC)c1C 19717636 PRKCKMWQUPJRRW-GOSISDBHSA-N 397.910 4.511 0 40 GJAB COc1ccc([C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 20025304 QSEAJSZWQOVPGC-QGZVFWFLSA-N 375.468 4.713 0 40 GJAB Cc1nc(C(=O)Oc2cccc(Cl)c2Cl)nn1-c1ccc(Cl)cc1 21675430 BFPPETSXPRYOBA-UHFFFAOYSA-N 382.634 4.755 0 40 GJAB Cc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)cc1 21787693 MUYUPTNDLUUCCJ-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB COc1ccc(NC(=O)c2cccnc2Nc2ccccc2Br)cc1 22072068 SQUIPQMAFOYMPT-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc2ccccc2n1 24987315 ZZELHKJBDJHBGF-UHFFFAOYSA-N 390.468 4.779 0 40 GJAB CC(C)COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1 27742364 WMSVMHGUVPVYHR-FQEVSTJZSA-N 386.561 4.740 0 40 GJAB O=C(Nc1ccc(-n2cc(Br)cn2)cc1)c1c(F)cccc1Cl 27917987 GTHLQPFOXKWELZ-UHFFFAOYSA-N 394.631 4.680 0 40 GJAB Cc1ccc(OCc2nnc(SCc3cc(-c4cccs4)on3)o2)cc1 31621229 YEEDYYYRHPUBDB-UHFFFAOYSA-N 385.470 4.966 0 40 GJAB COc1cc(OC)c(NC(=O)c2c(-c3ccc(F)cc3)noc2C)cc1Cl 31877615 QOERQIOYGQTCTJ-UHFFFAOYSA-N 390.798 4.712 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc(Cl)c1Cl 31961164 JLCYWVLKEQKCFB-UHFFFAOYSA-N 398.311 4.962 0 40 GJAB O=C([C@@H]1Cc2ccccc2S1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 32878872 URRBRWCWKUUXII-BEFAXECRSA-N 396.537 4.525 0 40 GJAB COc1ccccc1OCCC(=O)OCc1csc(Nc2ccc(C)cc2)n1 32910334 VUAVNNKXGGTMTE-UHFFFAOYSA-N 398.484 4.716 0 40 GJAB Fc1ccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3C2CCCCC2)cc1 35310752 PEFKMGWGCHBOKS-CTXDPNEZSA-N 375.557 4.830 0 40 GJAB Cc1cccc(C)c1NC(=O)c1sc2nc3cc4c(cc3cc2c1N)OCO4 35310927 MLAHALNEYITXFN-UHFFFAOYSA-N 391.452 4.630 0 40 GJAB CCOc1ccc2c(c1)C=C(C(=O)N(c1ccccc1)c1nc(C)cs1)CO2 40129036 SORMTMNUKKZZKU-UHFFFAOYSA-N 392.480 4.991 0 40 GJAB COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CCCC3)cc1 45932814 SUDCXWGYPBPJRC-UHFFFAOYSA-N 398.915 4.891 0 40 GJAB CCN(C(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)no1)c1ccccc1 57486799 MTCUBKLGBLMKIW-UHFFFAOYSA-N 386.455 4.567 0 40 GJAB C[C@@]1(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC1(Cl)Cl 58152597 WVEOSWOQUMVQAK-KRWDZBQOSA-N 381.328 4.833 0 40 GJAB C[C@@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2C(F)(F)F)o1 58791425 AJNGRYTXNMCFSY-IUODEOHRSA-N 399.434 4.775 0 40 GJAB CN(C)CCOc1ccc([C@@H](c2ccccc2)[C@H](CCO)c2ccccc2)cc1 71625200 LSBUBGBAISEBHG-CLJLJLNGSA-N 389.539 4.925 0 40 GJAB CC(C)n1c(SCCCc2nc3ccccc3o2)nc2ccccc2c1=O 71964956 ZTSLYIPAPATKDN-UHFFFAOYSA-N 379.485 4.844 0 40 GJAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1 72358922 WLDRFTZHPAKLSV-FQEVSTJZSA-N 389.474 4.540 0 40 GJAB FC(F)(F)c1cccc(-c2nnn(Cc3csc(C4CCCC4)n3)n2)c1 89774544 PGVOCTAMAWGMFW-UHFFFAOYSA-N 379.411 4.521 0 40 GJAB CO[C@H]1CCN(c2ccc(NC(=O)CCc3c(Cl)cccc3Cl)cc2)C1 96122246 XMXIRLVCNMSJNI-INIZCTEOSA-N 393.314 4.790 0 40 GJAB O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC[C@H]2CCCC[C@H]21 97212380 RHSCKMQKTDWJCS-IUODEOHRSA-N 379.382 4.550 0 40 GJAB CCCNc1c(NC(=O)Nc2ccc(OCC)cc2)c(=O)oc2ccccc12 101096042 UFFZZUUWIYJZEN-UHFFFAOYSA-N 381.432 4.658 0 40 GJAB O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CCC[C@H](n2cccn2)C1 102533667 NDSWZLZRZBDGGY-INIZCTEOSA-N 388.899 4.727 0 40 GJAB COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccc(Cl)cc1Cl 216906934 AIGLYSAQTNPKHJ-XVNBXDOJSA-N 392.242 4.717 0 40 GJAB Cc1cc(OCC(=O)NCCSCc2ccccc2F)cc(C)c1Cl 218922628 QKXMQXDGPMFJDL-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219331147 IYPIBQUXWDOLOD-SFTDATJTSA-N 397.515 4.888 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)c1cc3ccccc3cc1OC)CC(C)(C)O2 219394001 PXVGWCYAAKRHTF-HXUWFJFHSA-N 391.467 4.889 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCCC2)c1C 222780829 RKGBUAQWWSBRLI-RTWAWAEBSA-N 382.577 4.998 0 40 GJAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 222820758 GAGXFCXMBZPBTG-UXHICEINSA-N 396.947 4.907 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1 222881895 BSUXWBIDCQAZTI-IERDGZPVSA-N 382.504 4.573 0 40 GJAB CC[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc2c(c1)CCCC2 223138504 DRPLTVLRRZVDED-FQEVSTJZSA-N 387.545 4.620 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1C 223479434 QIWMVGJQRDDPOJ-CYBMUJFWSA-N 387.892 4.881 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCCC1 224875285 PRIIHKPLCIPGLY-CQSZACIVSA-N 399.362 4.960 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)NCCCSC2CCCCC2)c1 225590586 ZAJKOQXQGQUMPJ-UHFFFAOYSA-N 380.579 4.524 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)N[C@H](C)CC 225722177 ZRWRALKNXQMUHS-CXAGYDPISA-N 387.351 4.815 0 40 GJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225731077 NSTWCSJPGHITCT-XXBNENTESA-N 390.568 4.721 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225739130 PTYMKYLEYXOMHQ-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C 408677354 CFFPRJVCDUFTHT-LJQANCHMSA-N 394.515 4.726 0 40 GJAB Cc1ccccc1OCC(=O)NCCSCc1ccc(Cl)cc1Cl 408907757 QTWRIHDOXOKHIB-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccccc3C)C2=O)c(C)c1 409374767 YUHGBJXLMWXDIQ-WOJGMQOQSA-N 394.496 4.595 0 40 GJAB COc1ccc(C2=NN(c3ccc(C(=O)O)cc3)[C@H](c3ccc(F)cc3)C2)cc1 409418116 TVPICQYBBXCXPE-QFIPXVFZSA-N 390.414 4.888 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](Oc2ccncc2Cl)C1 575612054 IQFPAMIFBAHZHN-CQSZACIVSA-N 399.800 4.829 0 40 GJAB O=C(Nc1ccc(-c2ccccc2)nn1)C1(c2ccc(F)cc2F)CCCC1 1524648877 PRMIMXYRAQDOKN-UHFFFAOYSA-N 379.410 4.872 0 40 GJAB CC(C)(C)c1ccc2[nH]c(C(=O)NCc3cccc(Cn4cccn4)c3)cc2c1 1545011950 YHLOPAQIRHKBJX-UHFFFAOYSA-N 386.499 4.640 0 40 GJAB CO[C@@H](c1nc(-c2ccc(Oc3ccc(F)c(F)c3)cc2)no1)[C@@H]1CCOC1 1548453526 MBLVAZNAXOFIJW-FZKQIMNGSA-N 388.370 4.531 0 40 GJAB Cc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)Nc2c(C)cccc2C)cc1 977008 XBSDQMHCVZBHTP-MRXNPFEDSA-N 380.517 4.620 0 40 GJAB CC(C)c1ccc(NC(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)cc1 1380773 BYRIIMZCJVWLQJ-UHFFFAOYSA-N 381.455 4.563 0 40 GJAB Cc1cc(-c2noc(COc3c(F)c(F)cc(F)c3F)n2)c2ccccc2n1 1423800 VCBYBCGFXJTATN-UHFFFAOYSA-N 389.308 4.729 0 40 GJAB Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 2703976 JJRWWMPRHZWUAG-JOCHJYFZSA-N 397.430 4.552 0 40 GJAB O=C(Nc1ccc(Cl)cn1)c1ccn(COc2ccc(Cl)cc2Cl)n1 2793628 UISPAXLRARFARH-UHFFFAOYSA-N 397.649 4.527 0 40 GJAB O=C1O[C@](c2ccccc2)(c2cc(Br)ccc2O)c2ccccc21 4692306 WPSPHXZZWGJJQK-FQEVSTJZSA-N 381.225 4.617 0 40 GJAB Cc1ccc(C)c(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c1 5396499 MBXOHFRIGITQSV-UHFFFAOYSA-N 383.542 4.857 0 40 GJAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1nc2ccccc2nc1Cl 5652502 HXTYXBPKEOXBGD-UHFFFAOYSA-N 389.908 4.690 0 40 GJAB COc1ccccc1C(=O)CSc1nnc(Nc2ccc(C)cc2C)s1 5694655 DLGSHMQIEHJVHV-UHFFFAOYSA-N 385.514 4.882 0 40 GJAB O=C(O/C(=C/c1nccn1C(=O)c1ccccc1)c1ccccc1)c1ccccc1 5827878 BDUZHTRZURSZCC-RELWKKBWSA-N 394.430 4.927 0 40 GJAB COc1ccc(Nc2ccccc2NC(=O)c2ccc(NC(C)=O)cc2)cc1 6578397 SYPZZHDGGCTHMH-UHFFFAOYSA-N 375.428 4.650 0 40 GJAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1cccc(Cl)c1Cl 6621759 DJGGESORERPMRC-SNVBAGLBSA-N 380.300 4.999 0 40 GJAB O=c1[nH]c2ccc(NCc3cc(Cl)ccc3OCc3ccccc3)cc2[nH]1 6672028 XQVXSVNYUHQCAR-UHFFFAOYSA-N 379.847 4.701 0 40 GJAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)c2c[nH]c3ccccc23)cc1 7138094 OMYJSNDRJLSZSB-AWEZNQCLSA-N 377.469 4.726 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cc4ccccc4s3)c2C)no1 7412938 MPZXLSPGAPEGBK-UHFFFAOYSA-N 394.452 4.645 0 40 GJAB Cc1nc(-c2cccc(N[C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)c2)cs1 8429109 AGSNLNZCGWBLEB-JTQLQIEISA-N 391.418 4.975 0 40 GJAB O=C1N=C(Nc2ccc(Br)cc2)S/C1=C/c1ccccc1F 8435724 METAVHJFIHTHOD-NTEUORMPSA-N 377.238 4.671 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1 8555642 ZDGHOTNXKXQSSF-UHFFFAOYSA-N 375.424 4.599 0 40 GJAB COc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccccc1 9188107 YBLZNLZTJYXRQH-UHFFFAOYSA-N 377.509 4.782 0 40 GJAB Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2)c1 9428365 XUYSRVDGMTYBRK-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)NCCCCOc2ccc(F)cc2)cc1 9513895 IEWVIWKATLUMLL-NRFANRHFSA-N 386.467 4.540 0 40 GJAB CC(C)c1cc(C(=O)Nc2ccc(F)cc2)nn1-c1nc2ccccc2s1 12223561 ZERQQGDVRKQLJS-UHFFFAOYSA-N 380.448 4.997 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccoc1 12574520 CUOOTTJOVWZBLD-KRWDZBQOSA-N 385.345 4.694 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12628663 CSTZGBYPTVLIEZ-QGZVFWFLSA-N 394.525 4.654 0 40 GJAB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 12812070 AEXUKCRQRJWJQM-KRWDZBQOSA-N 386.300 4.528 0 40 GJAB CCc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3ccccc3)n2)cc1 12819677 OOQITIAQZZDHSV-FQEVSTJZSA-N 375.472 4.595 0 40 GJAB O=C(OCc1coc(-c2ccccc2)n1)c1csc(NCc2ccccc2)n1 15277835 BPCLREANXDXJPW-UHFFFAOYSA-N 391.452 4.767 0 40 GJAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(F)cc2F)cc1OCC 16317291 RKKQERIGCKMLDJ-GFCCVEGCSA-N 380.460 4.810 0 40 GJAB COc1ccc(-c2c(C)nn3c2N=C(C)C[C@H]3c2ccc(OC)cc2OC)cc1 17079924 JAZSBNHBULDDOI-FQEVSTJZSA-N 391.471 4.970 0 40 GJAB COCCn1cc(CNC2(c3ccc(OC)cc3)CCCC2)c2ccccc21 19594212 RXZACRHXFYWVIK-UHFFFAOYSA-N 378.516 4.855 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)cc1 19928665 WSNRUFSAIFRMTN-UHFFFAOYSA-N 388.876 4.894 0 40 GJAB COc1cc(CN[C@@H](C)[C@H](O)c2ccccc2)ccc1OCc1cccs1 22076389 SXHDONGRNUFPEX-AOMKIAJQSA-N 383.513 4.547 0 40 GJAB O=C(/C=C/c1ccco1)Nc1ccccc1-c1nc(COc2ccccc2)no1 22462040 AYJKIUKWVBCJIB-OUKQBFOZSA-N 387.395 4.561 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1 22969815 AAHRRJCVAKXXDC-KRWDZBQOSA-N 380.271 4.988 0 40 GJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCc1ccc2c(c1)OCO2 24616132 YZVPQSKMYIFURP-UHFFFAOYSA-N 397.858 4.920 0 40 GJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 24776531 LPKBANONLORVIO-GWKQRERASA-N 388.467 4.792 0 40 GJAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1cc2sc3ccccc3c2s1 31297545 ZCBLKQRHDXAUQM-AWEZNQCLSA-N 389.448 4.858 0 40 GJAB CCCOc1ccc(NC(=O)c2cc(-c3cccs3)on2)c2cccnc12 32623482 QODVPEXAXKHCEY-UHFFFAOYSA-N 379.441 4.992 0 40 GJAB COc1ccccc1NC(=O)CCSCc1ccc(F)cc1Br 32778831 BYAQKICPYIIGCR-UHFFFAOYSA-N 398.297 4.859 0 40 GJAB COc1cccc(NC(=O)[C@H](NCCc2c[nH]c3ccccc23)c2ccccc2)c1 34872869 YGEPUFXXQGFEAK-XMMPIXPASA-N 399.494 4.689 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2OC(C)C)cc1 36359162 QWFIHMBAORMGFZ-SFHVURJKSA-N 377.444 4.792 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38835501 MFWSIRPZHTXAQI-AWEZNQCLSA-N 381.278 4.983 0 40 GJAB COc1ccc(-c2nc(CC(=O)OCc3cc(C)cc(C)c3)cs2)cc1OC 39576516 PGIPQVDIEQUWCM-UHFFFAOYSA-N 397.496 4.730 0 40 GJAB O=C(c1ccccc1)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 43192525 HMBJRHGKMUOVIH-UHFFFAOYSA-N 392.377 4.712 0 40 GJAB O=C(c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1)N1CCCCC1 46078816 IQHFPRYVHYOWTJ-UHFFFAOYSA-N 382.891 4.559 0 40 GJAB O=C(c1ccc(Br)cc1)N1CCC[C@H](COCc2ccccc2)C1 49031497 ONKFBOMRAICSMB-KRWDZBQOSA-N 388.305 4.518 0 40 GJAB Cc1cc(NC(=O)[C@@H](Sc2c(F)cc(F)cc2F)c2ccccc2)no1 54486763 PMNOAFFRKPUSSQ-INIZCTEOSA-N 378.375 4.872 0 40 GJAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 58356467 BMHGFBAOSMFTHG-CVTTXWKISA-N 375.875 4.582 0 40 GJAB Cc1ccc(-c2csc3ncc(C(=O)Nc4ccccc4Cl)c(=O)n23)cc1 64787902 DUPKMBCGQMOHSO-UHFFFAOYSA-N 395.871 4.637 0 40 GJAB COc1ccc(-c2nc(C)cc(SCC(=O)NCCC3=CCCCC3)n2)cc1 67257555 CADFWVMMBGFAQZ-UHFFFAOYSA-N 397.544 4.559 0 40 GJAB FC(F)(F)c1ccc(N2CCC(Nc3nc4ccccc4s3)CC2)nc1 72270847 AWJPOKRJOIBILX-UHFFFAOYSA-N 378.423 4.791 0 40 GJAB O=C1N=C(Nc2cc(F)c(F)c(F)c2)/C(=C/c2ccc3nccnc3c2)S1 72401634 WXXAALBSXKVTLM-UUASQNMZSA-N 386.358 4.765 0 40 GJAB O=C(NCC1(Sc2ccccc2)CCOCC1)Nc1ccccc1Cl 96331361 XDKYWAVMPCDQHN-UHFFFAOYSA-N 376.909 4.803 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccco1 100423580 HKKNNABIIQJWPY-GJZGRUSLSA-N 393.409 4.616 0 40 GJAB COc1ccc([C@@H]2CCCCN(C(=O)c3ccc(Br)cc3)C2)cc1 208003241 JOMOYCNFCKSGQJ-QGZVFWFLSA-N 388.305 4.868 0 40 GJAB O=C(c1cc(-c2cccs2)on1)N1CCS[C@H](c2cccs2)CC1 219523170 GCPAGCYROWASIC-INIZCTEOSA-N 376.528 4.785 0 40 GJAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222585726 AXLBDFUAKRFIPY-HSZRJFAPSA-N 394.559 4.507 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223492968 LDRXGOSHKGORPZ-OAHLLOKOSA-N 391.855 4.794 0 40 GJAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2)cc1Cl 224119421 IMKXWOVOABMYMW-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224428864 HJBVXCAOROECAZ-UXHICEINSA-N 394.519 4.954 0 40 GJAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(N2CCCCC2)cc1 224960508 WEELTLQUIQWTKQ-UHFFFAOYSA-N 399.343 4.926 0 40 GJAB CCOCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c(C)n1 225867121 KRYJLKSAEUEJGT-UHFFFAOYSA-N 396.531 4.954 0 40 GJAB C[C@]12COC[C@H]1CN(C(=O)c1oc3ccccc3c1CSc1cccs1)C2 618717577 JXAPONDBHMRCGP-SZNDQCEHSA-N 399.537 4.895 0 40 GJAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCC[C@H]1CCCO1 641892168 PERZVHWGKLJMJK-GOSISDBHSA-N 398.453 4.731 0 40 GJAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NOCCOc3ccccc3)c2c1 1159227549 AISHRSCJWGJNSG-UHFFFAOYSA-N 398.462 4.951 0 40 GJAB COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@@H](C)Oc1ccccc1 2768270 WWLCGVLJCKWIDM-OAHLLOKOSA-N 395.480 4.916 0 40 GJAB O=C(COC(=O)c1ccc(N2Cc3ccccc3C2)cc1)c1ccc(Cl)cc1 3097294 JEORYZFRJOAWPK-UHFFFAOYSA-N 391.854 4.900 0 40 GJAB CC(=O)c1cccc(NC(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c1 3234868 CPEFOHLTZLOMPO-UHFFFAOYSA-N 398.513 4.524 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cccnc2Cl)c2ccccc2)c1 3254196 RGZJAUUZBLVJQH-LJQANCHMSA-N 394.858 4.889 0 40 GJAB Cc1cc(Br)ccc1NC(=O)CSc1nc2ccccc2o1 3503809 HYBIGVPDBDAVCC-UHFFFAOYSA-N 377.263 4.630 0 40 GJAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C[C@@H](C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 4556888 PSGAAPLEWMOORI-OIXPENTDSA-N 386.532 4.655 0 40 GJAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cccc(C)c1 4691470 MPXFGBAGVHGEFE-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB COc1ccc(CCn2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 5064681 OOCGCEGDMUEIEX-UHFFFAOYSA-N 380.451 4.898 0 40 GJAB Cc1ccc(Cn2c([C@@H](C)NC(=O)Cc3ccccc3)nc3ccccc32)cc1 5452202 RFQFYZJYXOIUOE-LJQANCHMSA-N 383.495 4.813 0 40 GJAB O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 5583798 UKTMKQVBXSKYBT-UHFFFAOYSA-N 394.814 4.543 0 40 GJAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(Br)cc1Cl 6260016 BZLJFJXCJZAVDA-UHFFFAOYSA-N 380.669 4.609 0 40 GJAB Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)Nc1ccccc1 6553320 WRHSXOHLXUAKDO-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB C[C@H]1CSC(N(C(=O)c2ccc(-n3cccn3)cc2)c2ccc(Cl)cc2)=N1 6647225 IHMKZHIVYDDYKV-AWEZNQCLSA-N 396.903 4.664 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 6879193 AKXSGDHUFIGRKX-LDADJPATSA-N 398.440 4.620 0 40 GJAB Cc1ccccc1OCC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)C 6938598 KLSJMMSIXTWTMC-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB Cc1ccc(C(=O)CSc2nnc([C@@H](C)Oc3ccccc3F)o2)c(C)c1 7137549 NYWPFOKEFWHSFP-CQSZACIVSA-N 386.448 4.941 0 40 GJAB CCCCn1c([C@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 7543593 OJVPZSDMUYZSPY-KRWDZBQOSA-N 377.488 4.756 0 40 GJAB Cc1cccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1C 7645001 WQJZUEVLSRZTLI-UHFFFAOYSA-N 380.513 4.698 0 40 GJAB Fc1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)[nH]n2)cc1 7998490 UPHGWAJYDALWGB-UHFFFAOYSA-N 385.196 4.695 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)cc1C 8040805 ZSGMGGXGFPEMOS-INIZCTEOSA-N 377.937 4.774 0 40 GJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccccc2Br)cc1 8273755 SZBTUBJHSWOMON-UHFFFAOYSA-N 398.304 4.643 0 40 GJAB COc1c(Cl)cc(Cl)cc1CNn1c(-c2ccccc2)n[nH]c1=S 8469577 JIKNNUYCSVETDQ-UHFFFAOYSA-N 381.288 4.667 0 40 GJAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(N3CCOCC3)cc2)cc1 8991193 XADRGOBMBQXLCV-XMMPIXPASA-N 399.494 4.603 0 40 GJAB O=C(Nc1cc(-c2ccc(F)c(F)c2)no1)c1ccc(Br)cc1 9250585 WKECDZBVHUSTKX-UHFFFAOYSA-N 379.160 4.635 0 40 GJAB C[C@@H](NC(=O)COc1ccc(-c2nnco2)cc1)c1ccc(-c2ccccc2)cc1 9884143 BSBYDQNCADDDRY-QGZVFWFLSA-N 399.450 4.660 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c1C 10224836 RQPUQBQQMLAFJO-UHFFFAOYSA-N 382.489 4.728 0 40 GJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(F)c(Cl)c2)cc1 10490116 NOKGYMGAFBWWKV-UHFFFAOYSA-N 390.871 4.737 0 40 GJAB COc1ccc(Cl)cc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1 11125302 MKJLMNJPMHJFBK-FQEVSTJZSA-N 386.904 4.728 0 40 GJAB Clc1ccc(-c2nnc3sc(-c4cc(-c5ccccc5)on4)nn23)cc1 12321453 KMOWIVCGBLIGKB-UHFFFAOYSA-N 379.832 4.828 0 40 GJAB Cc1cc(C)cc(NC(=O)c2c(N)c(C(=O)c3cccs3)n3ccccc23)c1 12342029 DNNCJUINGOYTGD-UHFFFAOYSA-N 389.480 4.683 0 40 GJAB Cc1ccc(F)cc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 12559594 SXVAUACKKAJDBB-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB O=C(CSc1nc2ccccc2n1-c1ccccc1)N1CCc2ccccc2C1 12620688 SCTZTOUKHPAUOS-UHFFFAOYSA-N 399.519 4.703 0 40 GJAB O=C(Cc1noc2ccccc12)Nc1nc2ccc(SC(F)F)cc2s1 12747560 WYRLJUMWKLQTBP-UHFFFAOYSA-N 391.424 4.933 0 40 GJAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2cc(-c3ccco3)on2)o1 12906005 SXRDRYUJQIGASL-LLVKDONJSA-N 387.392 4.889 0 40 GJAB Cc1ccccc1[C@@H](C)N[C@@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12945582 AJXBUIBBQLZNBW-KGLIPLIRSA-N 379.485 4.965 0 40 GJAB Cc1ccc(C)c(/N=c2\scc(-c3ccc4c(c3)NC(=O)CO4)n2C2CC2)c1 13109608 YZFJTWSHEQJWMP-GYHWCHFESA-N 391.496 4.732 0 40 GJAB C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 13784995 XZLIRISHXUWHPU-BMINWGARSA-N 381.479 4.975 0 40 GJAB O=C(Cc1ccccc1Cl)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 15317886 RHECNKCSSMYOTG-UHFFFAOYSA-N 397.931 4.536 0 40 GJAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc2ccccc2oc1=O 16525604 NAEQHEVZLKIEBQ-UHFFFAOYSA-N 382.375 4.854 0 40 GJAB CCCn1ncc(C(=O)Nc2nc(-c3cc(C)ccc3OCC)cs2)c1C 19525913 CASUEDLGROPAET-UHFFFAOYSA-N 384.505 4.684 0 40 GJAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1nc(-c2ccccn2)cs1 19666107 UKBUSVYLFQRSEB-UHFFFAOYSA-N 380.860 4.967 0 40 GJAB CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 20612105 LGKCXKGASDVXNI-UHFFFAOYSA-N 384.907 4.954 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc2nc(N3CCCC3)sc2c1 22480492 XWOITCVBSYJSIM-UHFFFAOYSA-N 376.485 4.559 0 40 GJAB C[C@@H](Sc1nncn1C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 24746199 VZDFHXDYVRCLHK-CYBMUJFWSA-N 383.908 4.720 0 40 GJAB COc1ccc([C@@H]2CN[C@@]3(CC(=O)CC(C)(C)C3)c3[nH]c4ccccc4c32)cc1 25538860 GRPYXJAAELENBN-NBGIEHNGSA-N 388.511 4.886 0 40 GJAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N[C@@H](C)C3CC3)c12 25773636 XELBQSOLUZWFSO-JTQLQIEISA-N 389.377 4.745 0 40 GJAB C[C@@]1(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1(Cl)Cl 26083567 USNPKCVLSLIBLC-KRWDZBQOSA-N 398.311 4.636 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2cccc(F)c2)c2ccccn2)c1C 28292967 ASFPBFMPTHBNJH-SFHVURJKSA-N 378.447 4.838 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(OC(F)F)c(Cl)c1 28935817 FSUSAIBVQXPVTN-UHFFFAOYSA-N 383.807 4.549 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)n2)cc1 32843323 PVRCGTNMROAQFF-WMZOPIPTSA-N 383.517 4.945 0 40 GJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(Cl)c1C)O[C@H](C)C2 32854018 HURUTYZIYUNRLK-TZMCWYRMSA-N 388.895 4.810 0 40 GJAB CCc1cc(C(=O)N2CCC(C)CC2)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621747 HTQVXQPDGJPDQU-UHFFFAOYSA-N 388.515 4.732 0 40 GJAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cc(C)oc1C 40159461 PUQPEIPRKJYLCZ-UHFFFAOYSA-N 383.275 4.694 0 40 GJAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)N1CCCCC1 44085998 VGOKJPJCTJAWPD-UHFFFAOYSA-N 377.513 4.644 0 40 GJAB CCN1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1 58167945 UCAMZGYOHDGDOK-LJQANCHMSA-N 387.911 4.564 0 40 GJAB Oc1nc(-c2ccccn2)nc2cc(-c3cccc(Br)c3)sc12 63581075 UOTBEZONAFBSIJ-UHFFFAOYSA-N 384.258 4.888 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3ccc(N4CCCC4)nc3)cs2)c(C)c1 64024475 BMRSAGALECAIPE-UHFFFAOYSA-N 378.501 4.674 0 40 GJAB C[C@H]1CN(c2ccccc2NC(=O)NC2(c3ccccc3)CCC2)C[C@H](C)O1 69370115 CGORSCJPOGANKN-ROUUACIJSA-N 379.504 4.501 0 40 GJAB Fc1cccc(-c2nnc([C@H]3CC34CCN(c3nc5ccccc5o3)CC4)o2)c1 71890501 YSPCBUNKDLVRAJ-MRXNPFEDSA-N 390.418 4.791 0 40 GJAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccccc1OC 72328521 LDBSQPXKWLDYDO-UHFFFAOYSA-N 397.906 4.991 0 40 GJAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4scnc4C)C3)n2)c1 72349832 ZMSWOUIAGWINSR-KRWDZBQOSA-N 393.512 4.542 0 40 GJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 77200174 JQVSXLLBIZFWRS-MSOLQXFVSA-N 378.428 4.723 0 40 GJAB C[C@@H](C(=O)Nc1c(F)cccc1F)N1CC=C(c2c[nH]c3ccccc23)CC1 89518780 WRSOJGPZQAHZFN-AWEZNQCLSA-N 381.426 4.562 0 40 GJAB CO[C@H](C)c1cccc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccccc2)c1 89905238 UECPKRVVCLUCDU-OXQOHEQNSA-N 382.504 4.626 0 40 GJAB Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C(=O)c2ccc(C)s2)s1 95436608 KXHYCSRARBNDDS-HOTGVXAUSA-N 390.574 4.582 0 40 GJAB CCNC(=O)N1CCC(N[C@@H](c2ccccc2)c2cccc3ccccc23)CC1 95462805 GVOPOOJTBFDKCK-DEOSSOPVSA-N 387.527 4.713 0 40 GJAB O=C(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccc(F)cc1Cl 96099222 NYSVWVFXPCONQC-UHFFFAOYSA-N 375.875 4.600 0 40 GJAB Cc1ccc(OCc2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1 96194309 FZNCISNWMXSSJV-UHFFFAOYSA-N 376.441 4.795 0 40 GJAB O=C1/C(=C\NCc2ccccc2)c2ccccc2C(=O)N1c1ccccc1Cl 108577096 GFGWVBZCHFUIND-CYVLTUHYSA-N 388.854 4.658 0 40 GJAB CCCOc1ccccc1CCCNC(=O)COc1ccc(C(C)(C)C)cc1 218933254 ABHWWGADQJYKHT-UHFFFAOYSA-N 383.532 4.901 0 40 GJAB CCSc1ccccc1C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219652353 OWYUWBXYBRLQQC-UHFFFAOYSA-N 387.892 4.774 0 40 GJAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)S1 222624522 ZRHRZJNQTBBKAQ-GKCIPKSASA-N 378.476 4.601 0 40 GJAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 224731944 YEQGQZMZDIFZDF-UHFFFAOYSA-N 388.714 4.626 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 225730115 ARFHYGQNYYIXOH-QGZVFWFLSA-N 392.421 4.691 0 40 GJAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cccc(Cl)c1Cl 225799640 CQSWSEWGFQLGKM-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408693725 CMVKBQZMNUGXKP-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB COc1cccc2cc(C(=O)NCCSCc3ccccc3Cl)oc12 408704259 ZDZYWINMPXIHBH-UHFFFAOYSA-N 375.877 4.758 0 40 GJAB O=C1N/C(=C\c2ccccc2OCc2cccc(F)c2)C(=O)N1C1CCCCC1 409081736 QLWFBINAKWERFQ-ZHZULCJRSA-N 394.446 4.630 0 40 GJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C 409105636 JYPCIBLKPPTNOZ-UHFFFAOYSA-N 380.517 4.640 0 40 GJAB Cc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CCCC3)cc1 409114457 HMPIYZSQVFPJJY-UHFFFAOYSA-N 382.407 4.688 0 40 GJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1 409240862 QHAMPDDEHVUYRV-PXLXIMEGSA-N 398.462 4.667 0 40 GJAB CC(C)(C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccccc1F 539659858 GNTWMPOKCFAUSD-UHFFFAOYSA-N 375.403 4.945 0 40 GJAB CCc1cnccc1[C@@H](C)NCC(=O)Nc1ccc(OCc2ccccc2)cc1 541195664 UVRJMLHKXYOBPZ-GOSISDBHSA-N 389.499 4.512 0 40 GJAB CCOC(=O)c1sc(NC(=O)[C@H](C(C)C)n2cccc2)nc1-c1ccccc1 575443203 OEZZLWHKUUTOAB-KRWDZBQOSA-N 397.500 4.624 0 40 GJAB Cc1cc(O)nc2cc(C(=O)Nc3cccc4c3CN(CCC(C)C)C4)ccc12 585083785 MNYJAQYSBXNGGO-UHFFFAOYSA-N 389.499 4.863 0 40 GJAB O=C(Nc1cccc(-c2ccc(Br)cc2)c1)N1CC2(CCCO2)C1 626559540 FJXIIYUVMNGEBI-UHFFFAOYSA-N 387.277 4.513 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccc(C)cc1 687368 HFPTWTQQYLTLLR-UHFFFAOYSA-N 398.557 4.726 0 40 GJAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1c(Cl)cccc1Cl 848490 UXVJVWOYFRHENR-UHFFFAOYSA-N 386.588 4.809 0 40 GJAB CC[C@@H](C)OC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 938348 VSPOVRYYQOPEBM-LLVKDONJSA-N 376.478 4.931 0 40 GJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@](C)(CC)OC3 984868 SDTIHMLZLCKOLP-HXUWFJFHSA-N 386.542 4.801 0 40 GJAB CCCCOC(=O)c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 1774173 ZHRVICPFRYQDSR-UHFFFAOYSA-N 390.863 4.898 0 40 GJAB CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 2146592 MCTDXPDDZLFJHR-KDNSLJGTSA-N 382.500 4.941 0 40 GJAB in-man CCOc1ccc(C(=O)[C@H](C)[C@H](C)c2cc(Cl)cc3c2OCOC3)c(O)c1 2160658 ZHTDENBYWIFXCL-QWHCGFSZSA-N 390.863 4.933 0 40 GJAB biogenic CC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc(C)cc3)cc12 2184790 UDQFDVQMGDWUAM-UHFFFAOYSA-N 377.849 4.706 0 40 GJAB O=C1c2ccccc2C(=O)N1CCCCN(Cc1ccccc1)Cc1ccccc1 2187455 IRLGZQPCYMMBQS-UHFFFAOYSA-N 398.506 4.765 0 40 GJAB CC(C)OC(=O)CSCc1oc2ccc(O)cc2c1C(=O)c1ccccc1 2231031 GHXQPGPGGSBBAG-UHFFFAOYSA-N 384.453 4.554 0 40 GJAB CC[C@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(OC)cc1 2720794 GTJZGKQPQLHPJN-ZDUSSCGKSA-N 379.485 4.766 0 40 GJAB Cc1c(C2=CCCCC2)c2ccccn2c1C1=NS(=O)(=O)c2ccccc21 3190748 NHNACCALCHWQLO-UHFFFAOYSA-N 376.481 4.745 0 40 GJAB Cc1cccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1C 3239146 MWHVYCQQZKBFIR-CYBMUJFWSA-N 396.270 4.559 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4027814 HNOJVNYUMCALQT-MAUKXSAKSA-N 388.895 4.725 0 40 GJAB biogenic COc1ccc(NCN2C(=O)S/C(=C/c3ccccc3F)C2=O)cc1Cl 4661964 USBHHIWNFBWBMC-LZYBPNLTSA-N 392.839 4.594 0 40 GJAB CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 5002927 QZNQTLPLRIJJML-ANTHHZPCSA-N 397.302 4.743 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1cccc(Br)c1 5022033 NKEZPWKLBKGRCC-NBMJBFSESA-N 398.300 4.631 0 40 GJAB CCCN(CCC)C(=O)Cc1csc2nc(-c3ccc(OCC)cc3)cn12 5146912 QWWTXGAGKWVCAL-UHFFFAOYSA-N 385.533 4.653 0 40 GJAB O=C1C[C@@H](c2ccccc2)CC2=NNC(c3ccc(Br)cc3)=C[C@H]12 5279826 AFCNKNFHNUDTKV-RDJZCZTQSA-N 381.273 4.512 0 40 GJAB COc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccncc2)cc1 5363982 MZQCPXYYGOGQJN-UHFFFAOYSA-N 388.496 4.939 0 40 GJAB COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 6624868 FYBAWYSDJIAXEB-UHFFFAOYSA-N 396.874 4.978 0 40 GJAB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)S[C@H](C)C(=O)N2 6678730 ZCCYFIBSOUBXEV-BFUOFWGJSA-N 397.475 4.599 0 40 GJAB O=c1cc(CN[C@@H]2CCCc3ccccc32)nc2scc(-c3ccccc3)n12 7015603 AVGNPYHWOHJPRO-HXUWFJFHSA-N 387.508 4.590 0 40 GJAB COc1ccccc1CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 7807763 PPMPOXSIRASTJJ-UHFFFAOYSA-N 384.435 4.947 0 40 GJAB COc1ccc(C(=O)CN(C2=NCCCS2)c2cc(C)ccc2C)c(F)c1 8410751 HUFUDZNISPEFGW-UHFFFAOYSA-N 386.492 4.633 0 40 GJAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1c[nH]c2ccccc12 8428018 SSDVYMUDWZQSJH-UHFFFAOYSA-N 394.525 4.722 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 8707146 HCGXHPQNHDNLAZ-OAHLLOKOSA-N 379.460 4.830 0 40 GJAB COc1ccccc1OCCNC(=O)c1ccccc1SCc1ccccc1 8816589 ISUMQDKRRMGFBR-UHFFFAOYSA-N 393.508 4.796 0 40 GJAB Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@@H](c1cc(F)cc(F)c1)C2 9938798 JMJBVPRNLSAANN-ZDUSSCGKSA-N 395.434 4.981 0 40 GJAB CCCCC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1C(C)C 12323125 IFJYPJXTOBMJEY-UHFFFAOYSA-N 394.512 4.786 0 40 GJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCCN(Cc2ccc(F)cc2)CC1 13010002 XECCSPHWFJBQNE-UHFFFAOYSA-N 388.486 4.841 0 40 GJAB O=[S@](CCCC[S@](=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 13398052 RWDYSSMDVBIEHM-SZPZYZBQSA-N 375.342 4.689 0 40 GJAB Cc1ccnc(NC(=O)CC23C[C@@H]4C[C@H](C2)CC(c2c(C)noc2C)(C4)C3)c1 13640794 JWYMCOIHBCICNK-WVKNIADZSA-N 379.504 4.862 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)CCc3ccccc3F)cc2)cc1 14228121 YFMMITPBYYZADN-UHFFFAOYSA-N 392.430 4.658 0 40 GJAB COc1cc(C(=O)Nc2ccc(Br)cc2F)cc(Cl)c1OC 15007868 FAHQAGMSNSGOPK-UHFFFAOYSA-N 388.620 4.511 0 40 GJAB Cc1ccc(N2CC(=O)N(c3cccc(C)c3C)[C@@H](c3ccccc3)C2=O)cc1 15413294 BTEMULDQTAKHHP-DEOSSOPVSA-N 384.479 4.733 0 40 GJAB Cc1ncsc1-c1nc(NCCc2ccccn2)ncc1-c1ccc(F)cc1 19562406 PGBCXCUYOFBTRJ-UHFFFAOYSA-N 391.475 4.764 0 40 GJAB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccccc2)n1 21787713 ZUQSYKUKSGWOFB-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB c1ccc(-n2ncc(CNC[C@H](c3cccs3)c3c[nH]c4ccccc34)n2)cc1 23983022 YEMFEUYGKZVROR-NRFANRHFSA-N 399.523 4.732 0 40 GJAB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc2ncsc2c1 24033258 SGPBKRKGXBVRSE-UHFFFAOYSA-N 379.466 4.862 0 40 GJAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)C1 24967474 GFISXTLQLXURPB-FRRDWIJNSA-N 397.466 4.634 0 40 GJAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)c(C)[nH]1 25146550 WMHQRQGESBTBPV-UHFFFAOYSA-N 386.496 4.660 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28237197 XXAAOYUMXIWSAB-QGZVFWFLSA-N 384.483 4.771 0 40 GJAB CCCOc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1Br 28252034 YQNGJOFIHUNXII-UHFFFAOYSA-N 398.322 4.656 0 40 GJAB C[C@H](Nc1nc2ccccc2s1)C(=O)NCc1csc(-c2ccccc2)n1 28509177 HYSQDILSGWDQPR-ZDUSSCGKSA-N 394.525 4.537 0 40 GJAB O=C(c1csc(Br)c1)N1CCC(CCc2ccc(O)cc2)CC1 32786765 SUQFBVZLLCNTLA-UHFFFAOYSA-N 394.334 4.701 0 40 GJAB Cc1cccc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1 33048493 DPUAGDSQVZYYBT-UHFFFAOYSA-N 395.105 4.865 0 40 GJAB Cc1ncc(NC(=O)Cc2ccc(F)cc2)n1-c1nc(-c2ccccc2)cs1 35682919 JPHHRBLHJNSVDA-UHFFFAOYSA-N 392.459 4.625 0 40 GJAB Cc1ccc2c(C(=O)CN3CCN(c4cc(Cl)ccc4C)CC3)c(C)[nH]c2c1 35999902 YBPGGFHMPKQRQA-UHFFFAOYSA-N 395.934 4.751 0 40 GJAB CC(C)(C)c1ccc(CS(=O)(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1 40060021 OQUNSJBZNSBBRL-UHFFFAOYSA-N 387.476 4.893 0 40 GJAB CCOc1ccc(/C=C/C(=O)N(C)Cc2cccc3ccccc23)cc1OC 40070276 NJPPQHBBMAAIJA-FYWRMAATSA-N 375.468 4.919 0 40 GJAB CNC(=O)c1ccc(CN(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 40096472 RHXOPCMUXMRPTP-UHFFFAOYSA-N 389.455 4.502 0 40 GJAB O=C(COc1ccc(F)cc1)Nc1ccccc1NC(=O)c1ccccc1Cl 44224979 CIUUPSWGQAURJV-UHFFFAOYSA-N 398.821 4.749 0 40 GJAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3cc(C)c(C)s3)n2)cc1 52773684 QESOAFYHBRGPOC-LBPRGKRZSA-N 399.541 4.938 0 40 GJAB O=C(NC[C@H](O)c1cccc2ccccc12)C(c1ccccc1)c1ccccc1 70636064 LSMXWXHRQGSCBY-DEOSSOPVSA-N 381.475 4.822 0 40 GJAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)C2CCCCC2)n1 72390721 DYQLNNWSKHZJPU-IBGZPJMESA-N 396.535 4.945 0 40 GJAB CCc1ccc2nc(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccco3)sc2c1 83825556 AMWSLYMSSOCWRQ-HOCLYGCPSA-N 385.489 4.572 0 40 GJAB Cc1ccc2nc(C)cc(C(=O)N[C@H](c3ccc(F)cc3)[C@H]3CCCO3)c2c1 89657509 GCQANJQBPGDOKZ-FGZHOGPDSA-N 378.447 4.641 0 40 GJAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccc([S@@](C)=O)cc2)n1 95951425 TYTQXXBXFGDWHR-MHZLTWQESA-N 395.509 4.590 0 40 GJAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)CC1=O 103718878 DIPOXDPZEOOALM-OAHLLOKOSA-N 384.907 4.938 0 40 GJAB CN(C)[C@H](CNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccc1Cl 195533613 ZGUFFRUYRWVNON-ZQPYIGSKSA-N 395.374 4.637 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222713414 SDFORLPZKVLWCW-DJJJIMSYSA-N 391.920 4.859 0 40 GJAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1C(C)C 223382652 HEHKZDBEGHWUHF-GOSISDBHSA-N 391.515 4.863 0 40 GJAB O=S(=O)(NCCOc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl 223603205 LNJYGDUCVSYAIK-UHFFFAOYSA-N 396.295 4.504 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 225579188 SEUZWJDWFHBFPG-NFBKMPQASA-N 394.559 4.568 0 40 GJAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 225793403 JMJXZVUNVBQREH-ILWKUFEGSA-N 397.858 4.984 0 40 GJAB C[C@@H](Cc1csc2ccccc12)NS(=O)(=O)Cc1ccccc1Cl 575618706 BFRXYUSIEGZUOD-ZDUSSCGKSA-N 379.934 4.605 0 40 GJAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(Cc2cccc(F)c2)n1 585265564 OCLOWXZYMUXCOQ-UHFFFAOYSA-N 395.430 4.974 0 40 GJAB COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCC3)cc1 996454 OEJSYAGKOLPAPQ-UHFFFAOYSA-N 387.501 4.843 0 40 GJAB Cc1ccccc1-c1nnc(N(CC(C)C)C(=O)COc2ccccc2)s1 1345349 QJSSJCCIWWHBBS-UHFFFAOYSA-N 381.501 4.582 0 40 GJAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nnc(-c2ccccc2)n1C 3295193 GSCFOBIGTCHCFF-JQHSSLGASA-N 387.549 4.578 0 40 GJAB COc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(C)cc32)cc1OC 4129874 MCPNXJWXMKUQQA-UHFFFAOYSA-N 385.467 4.755 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2cc(C)ccc2[nH]1 5357093 OGBZFFGFTWTCNY-LLVKDONJSA-N 375.881 4.653 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3cccc4ccccc34)c2C)no1 5737999 PRJAMVDNDPZVGC-UHFFFAOYSA-N 388.423 4.583 0 40 GJAB C[C@H](OC(=O)/C=C/c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 6013208 GNMUJZSOSKMJJY-QZZNQRLBSA-N 385.463 4.537 0 40 GJAB CCOc1ccc(OCCCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 6820378 LHKGHZZXQXRRGS-UHFFFAOYSA-N 382.504 4.873 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1Cc1ccc(F)cc1 7289676 HWCLTDMRODOIMB-UHFFFAOYSA-N 385.464 4.528 0 40 GJAB O=S(=O)(c1ccc(Cl)s1)N(Cc1cccs1)Cc1cccs1 8262406 MJEONTXGGQUMAY-UHFFFAOYSA-N 389.976 4.916 0 40 GJAB COc1ccc(OC)c(N(CC(=O)c2ccc(C)cc2C)C2=NCCCS2)c1 8410402 VRXXMWZBQFASPM-UHFFFAOYSA-N 398.528 4.503 0 40 GJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(Cl)cc1Cl 8496602 JEMJHTNAENYDAN-UHFFFAOYSA-N 381.288 4.667 0 40 GJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(F)c(F)c1F 11370760 HDZOEWFPUYGBHU-UHFFFAOYSA-N 382.288 4.608 0 40 GJAB Cc1cc(C)c(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)c(C)c1 11610635 GHKKRMYFZFLPOK-UHFFFAOYSA-N 384.476 4.968 0 40 GJAB COc1ccc2nc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)sc2c1 11807113 LSDSXVDEYPKPRM-UHFFFAOYSA-N 397.431 4.670 0 40 GJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)c(Cl)c1 13634752 KMRXSDLYVDOEOS-KRWDZBQOSA-N 388.254 4.805 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14399650 ZOUJYZVSDXEXNW-KRWDZBQOSA-N 396.531 4.872 0 40 GJAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccccc2)cc1 15412193 JXCHOWLNSMTJCH-DEOSSOPVSA-N 384.479 4.733 0 40 GJAB COc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N=C3O)cc2c1 17137741 FUEHZFLPFAUAEI-WJDWOHSUSA-N 385.514 4.563 0 40 GJAB COc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12 17246510 ZBEKBTZUTWQCBD-UHFFFAOYSA-N 388.471 4.810 0 40 GJAB O=C(NC1CCC2(CC1)CC(=O)c1ccccc1O2)c1cc2ccccc2o1 19376272 CWFACLXMDAODOC-UHFFFAOYSA-N 375.424 4.509 0 40 GJAB Cc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)c4oc(C)nc4C)C3)nc2)c1 19690322 URQDKXPXBCUVTB-OAQYLSRUSA-N 389.499 4.605 0 40 GJAB CCN1CCc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2C1 21295296 VUVNBAXJXHPVCH-UHFFFAOYSA-N 391.540 4.682 0 40 GJAB CCc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2s1 22255121 RVIXRMYWGBIASG-UHFFFAOYSA-N 387.313 4.966 0 40 GJAB O=C(Cc1c(F)cccc1Cl)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 24828363 GGZPJRAQIMVUEF-QFIPXVFZSA-N 393.849 4.804 0 40 GJAB CC(=O)Oc1ccccc1-c1oc2ccccc2c1I 26894824 BALUMCIZZWEAOK-UHFFFAOYSA-N 378.165 4.630 0 40 GJAB CCN(CC)[C@H](CNC(=O)COc1ccc(C)c(C)c1)c1ccccc1Cl 27579716 RXBLXBOUFJMNGG-OAQYLSRUSA-N 388.939 4.535 0 40 GJAB CCCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCC)c(C)c2)cc1 27746619 KLICDEAGJDUVSZ-UHFFFAOYSA-N 395.459 4.875 0 40 GJAB Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3CCc4sccc4C3)n2)cc1 28174384 NNMWFDCRADZXRT-CQSZACIVSA-N 383.542 4.565 0 40 GJAB COc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(C)cc1 35289488 MDHWXNFRWPVUTA-SEJPIABJSA-N 393.531 4.711 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)[nH]c3C)c3ccccc3C2=O)cc1 35306281 RFWRPWRZEQPPEK-HYARGMPZSA-N 386.451 4.758 0 40 GJAB O=C(Nc1c2c(nn1-c1nc3ccccc3s1)CCC2)c1c(F)cccc1F 35596707 WJOWQVUVUKUEOK-UHFFFAOYSA-N 396.422 4.501 0 40 GJAB CCc1cc(C(=O)N[C@H](C)CC)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621728 ZLIOVBJGOYFGMB-CYBMUJFWSA-N 380.467 4.528 0 40 GJAB O=C(Cn1ccc2c(Br)cccc21)Nc1cccc2ncccc12 40266381 URGWOYOWKDUWLB-UHFFFAOYSA-N 380.245 4.591 0 40 GJAB Cc1ccc(C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 40968188 NSHJDNLHDGURBQ-UHFFFAOYSA-N 379.481 4.648 0 40 GJAB C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1ccccc1 43204651 BGAVVPDORCZLJU-DEOSSOPVSA-N 387.435 4.525 0 40 GJAB in-vitro O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCc2sccc2C1 44775919 GQEYTJGOFVVFTJ-JKSUJKDBSA-N 380.538 4.993 0 40 GJAB O=C(NCc1ccc(F)cc1Cl)c1cc(-c2cccc3ccccc23)[nH]n1 44839278 GFVVKKWRBUZYTE-UHFFFAOYSA-N 379.822 4.952 0 40 GJAB COc1ccccc1CCC(=O)N1CCC[C@@H]1c1cccc(Br)c1 55785435 ATQBLDFBERCDHO-GOSISDBHSA-N 388.305 4.754 0 40 GJAB C[C@H](NC(=O)Nc1ccc(Br)cc1)c1nc(-c2ccccc2)c[nH]1 58325521 WOOGTAJVQLCBGC-LBPRGKRZSA-N 385.265 4.722 0 40 GJAB O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1cc(F)ccc1F 71769087 HKSIBGUKSCLXDM-UHFFFAOYSA-N 399.466 4.808 0 40 GJAB COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)c3ccc(F)cc3)n2)c1 72357614 ASEABFSVRQMPIV-HSZRJFAPSA-N 390.458 4.797 0 40 GJAB FC(F)(F)c1cccc(-c2noc([C@@H]3CCN(Cc4ccsc4)C3)n2)c1 72369973 CANPQIBYXQVHND-CQSZACIVSA-N 379.407 4.806 0 40 GJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)C2CCCC2)n1 72377061 SFMOOXQWIIOSKX-SFHVURJKSA-N 384.911 4.623 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)C12CCCCC2 72400500 FBEPIJCMTHMDHT-LAUBAEHRSA-N 391.515 4.761 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(F)cc1Cl)SCC(O)=N2 79482548 RALJPBFRKNYRHM-QGZVFWFLSA-N 388.855 4.792 0 40 GJAB O=C(NCc1ccc(Cl)cc1)N1CCC(CSCc2ccco2)CC1 90608414 DOLRUIVORRLMCN-UHFFFAOYSA-N 378.925 4.788 0 40 GJAB CC(C)(C)SCC(=O)NC1(c2nc(-c3cccs3)no2)CCCCC1 95450510 IMBQEHKWDCMRRB-UHFFFAOYSA-N 379.551 4.605 0 40 GJAB CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C1 95933626 XCWWVMIKMXDYJM-MRXNPFEDSA-N 396.915 4.869 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 96627721 CTXWOLKSSSAIKI-FQEVSTJZSA-N 395.522 4.667 0 40 GJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cc(Cl)c(O)c(Cl)c2)S1 222583688 IIDLYSWGSXLJGU-ZWZTZDBGSA-N 380.300 4.683 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccccc1C(C)(C)C 223732870 QEORFCKSOZQQJI-FQEVSTJZSA-N 383.532 4.954 0 40 GJAB COc1ccc(OCc2cc(C(=O)Nc3ccccc3F)ccc2OC)cc1 224264473 UQBVASZGKGNNRB-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)s2)cc1 224606257 PUDMRTPPUWRHNC-OAHLLOKOSA-N 397.500 4.545 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224720450 ZJLPGXKAMBZRIY-INIZCTEOSA-N 387.892 4.963 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCCC1 224929855 AKNYMLHLPZQNNV-AWEZNQCLSA-N 399.362 4.960 0 40 GJAB C[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(C(C)(C)C)cc1 225408606 UYPWGCDEILEJBP-HNNXBMFYSA-N 383.561 4.734 0 40 GJAB Fc1ccc(NC(=S)Nc2nnc(SCc3ccccc3)s2)cc1 225461765 XONHBBIDTMRDEQ-UHFFFAOYSA-N 376.507 4.778 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Cl)cc1)CC(C)(C)O2 225681188 RUSRTMUUIDJRKU-INIZCTEOSA-N 376.909 4.937 0 40 GJAB COCCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C 225867253 IBXWDVKXDPPSLX-UHFFFAOYSA-N 382.504 4.564 0 40 GJAB Cc1ccc(Cc2cc(C)nc([C@H]3CN(C(=O)c4ccccc4)CCO3)c2)cc1 257233501 GPODEBYXNJGULX-XMMPIXPASA-N 386.495 4.503 0 40 GJAB NC(=O)c1c(NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCCC2 408629207 PSQRDWZQZFEJTP-UHFFFAOYSA-N 384.888 4.785 0 40 GJAB O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCc2ccc(Br)cc21 503109335 QVTQODGICPIJIC-KRWDZBQOSA-N 386.289 4.546 0 40 GJAB Cc1cc(C2CCN(C(=O)c3cc4c(Cl)c(Cl)ccc4[nH]3)CC2)n[nH]1 680618331 NFRGHZZVLQSSFP-UHFFFAOYSA-N 377.275 4.526 0 40 GJAB Cc1cc(C(C)(C)C(=O)N2CCCc3occc3C2)ccc1Br 1527470617 WESYEZVQOCLWNJ-UHFFFAOYSA-N 376.294 4.603 0 40 GJAB O=C(c1cccc2nc(O)[nH]c12)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 1556306611 FZUUSPGEWODNDY-INIZCTEOSA-N 389.377 4.655 0 40 GJAB O[C@@H](CN1CCCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 626507 DUPVGFMKXACAET-INIZCTEOSA-N 377.315 4.948 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(Cl)cc1 976820 BPGZOMXLBSDWSY-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB O=C(c1ccc(F)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 991521 MVRXAHKVPPBBSS-HXUWFJFHSA-N 388.398 4.546 0 40 GJAB C1=NC2=NC3=C([C@@H](c4cccs4)N2N1)[C@@H](c1ccccc1)Oc1ccccc13 2253396 JNFBXKJPXGUGLE-NHCUHLMSSA-N 384.464 4.552 0 40 GJAB c1coc(Cn2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccs2)c1 2394916 MEDYPNIEHPZTRE-UHFFFAOYSA-N 393.497 4.817 0 40 GJAB Cc1cc(NC(=O)CSc2nc3ccccc3o2)ccc1Br 2634719 ZWXGTPZUFAVQBP-UHFFFAOYSA-N 377.263 4.630 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCc1nc2ccccc2s1 3396208 WAJKANDOKYXCCK-OUKQBFOZSA-N 389.480 4.855 0 40 GJAB Cc1ccc(Cn2cc(SCC(=O)NCc3ccco3)c3ccccc32)cc1 4059724 GZYYXKSLQDLEEI-UHFFFAOYSA-N 390.508 5.000 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1nnc(COc2ccc(Cl)cc2)s1 4696185 OLKXFAVFJXDVEU-UHFFFAOYSA-N 394.283 4.605 0 40 GJAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccccc3)oc12 4937792 MHKVZBAJWJOLOX-FCQUAONHSA-N 391.448 4.507 0 40 GJAB COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 5019815 CIYLVFZQOAPAHS-INIZCTEOSA-N 396.314 4.850 0 40 GJAB Cc1ccc(C2=NN(C(=O)CSc3nc(C)cs3)[C@H](c3ccco3)C2)cc1 5101562 RSOAXTABAFRNSO-KRWDZBQOSA-N 397.525 4.823 0 40 GJAB CCOc1ccccc1OCCCC(=O)Nc1ccc(N2CCCCC2)cc1 5694589 NCIZCQZVZHTOJN-UHFFFAOYSA-N 382.504 4.873 0 40 GJAB CCC(=O)Nc1ccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)cc1 6026102 IGIJWKRYBUHTRW-UHFFFAOYSA-N 386.459 4.524 0 40 GJAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(-c2nnc3n2CCCCC3)c1 6278098 NCVHJWRFOGZXGF-UHFFFAOYSA-N 398.869 4.645 0 40 GJAB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)CC1 6517628 XMGHFTYFNYEXMU-VGOFMYFVSA-N 377.532 4.604 0 40 GJAB COc1cccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 6653788 WMICDIXHIUCFKM-NSFRLNINSA-N 397.478 4.685 0 40 GJAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)C1CCCCC1 6665256 FRMPCGQYYYSFEA-UHFFFAOYSA-N 394.519 4.813 0 40 GJAB COc1ccc(C)cc1-n1c(SC[C@@H]2CCCO2)nnc1-c1cccs1 6975558 BPJFYPVNMZRIAX-AWEZNQCLSA-N 387.530 4.584 0 40 GJAB CCn1c(/C=C/c2cccs2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 7503066 NETAUKXPTBJBPT-VMPITWQZSA-N 386.420 4.582 0 40 GJAB CCOc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCC(=O)NC(C)(C)C 7520898 NDSXTONFEVXMRM-UHFFFAOYSA-N 392.584 4.683 0 40 GJAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccccc1-c1ccccc1 8026002 KUGBRAIFWMVSKV-KRWDZBQOSA-N 388.467 4.954 0 40 GJAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1 8371563 GCWITYDXWBUKGF-MHWRWJLKSA-N 388.286 4.994 0 40 GJAB Cc1ccccc1OCc1nnc(SCc2cc(-c3ccccc3)on2)[nH]1 8513949 XWBMGVUXVKDIDE-UHFFFAOYSA-N 378.457 4.639 0 40 GJAB COc1ccc(CN2C[C@H](c3nc4ccccc4n3CCC(C)C)CC2=O)cc1 8786747 QXVRBNQPBGTABN-LJQANCHMSA-N 391.515 4.607 0 40 GJAB CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)NC(C)(C)C)cc1 9250237 JOHLIYHJDXKLKG-UHFFFAOYSA-N 399.560 4.520 0 40 GJAB O=C(NCc1ccccc1OC(F)F)N(Cc1ccco1)Cc1cccs1 10593668 IPAHGMKDHBNBTA-UHFFFAOYSA-N 392.427 4.855 0 40 GJAB Cc1cc(F)ccc1NC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 11374111 LUUBLZGJHSJQFN-UHFFFAOYSA-N 389.430 4.922 0 40 GJAB Cc1c(C(=O)NCc2ccc(COCC(F)(F)F)cc2)oc2ccc(F)cc12 11483993 ZBXFMULGIDQISH-UHFFFAOYSA-N 395.352 4.889 0 40 GJAB CCOc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)c(C)cc1OC 12345600 DANJXONNGUFQRI-SVGJNIJCSA-N 399.506 4.556 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc4ncccc34)o2)cc1C 12799694 LYOKCCRTDZYCTL-UHFFFAOYSA-N 390.468 4.632 0 40 GJAB CCCNc1c(NC(=O)c2cc(Cl)ccc2OC)c(=O)oc2ccccc12 13364907 KKTXEZZEECILRP-UHFFFAOYSA-N 386.835 4.529 0 40 GJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 13685378 VOVPGENTPMXACQ-MRXNPFEDSA-N 390.483 4.774 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)CC)CCC3)cc1 17270892 OIAJJQLBQWNHIO-UHFFFAOYSA-N 380.488 4.807 0 40 GJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1Oc1ccccc1 17973294 FRIGEVCOFINUHF-UHFFFAOYSA-N 388.467 4.806 0 40 GJAB Cn1cc(CCC(=O)NCCc2nc(-c3ccccc3)cs2)c2ccccc21 19290429 MWEYZERBJNLZLY-UHFFFAOYSA-N 389.524 4.593 0 40 GJAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cn(C)nc3C)no2)cc1 19583858 HFRXJQLKCAOMKN-NRFANRHFSA-N 380.492 4.509 0 40 GJAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 20717979 LPTCXUNKCOMXID-VLIAUNLRSA-N 391.496 4.783 0 40 GJAB O=c1c2ccccc2c(-c2cccs2)nn1C[C@H](O)c1ccc(Cl)cc1 24973555 CFMQOGTYYBKWSF-KRWDZBQOSA-N 382.872 4.512 0 40 GJAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 25957415 CFYLESQPMKEPLL-XMMPIXPASA-N 399.490 4.503 0 40 GJAB Cc1cc([C@H](C)NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c(C)s1 31951668 BYMNOVJDXINBFN-UGSOOPFHSA-N 392.952 4.650 0 40 GJAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(Oc3cccc(Br)c3)nc2)C1 32926697 ZVCVLMSTAFGQJM-OKILXGFUSA-N 389.293 4.755 0 40 GJAB O=C([C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2)N1CCCCC1 36357362 WUUXUUWHXOYAHD-JOCHJYFZSA-N 388.511 4.756 0 40 GJAB NC(=O)c1cccc(NC(=O)c2ccc(/C=C/c3ccc4ccccc4n3)cc2)c1 40151270 QCBYVEGODQTMRE-GXDHUFHOSA-N 393.446 4.756 0 40 GJAB CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(OC)c(OC)c1 44856863 LTRAFLQKUNMKHI-NRFANRHFSA-N 396.531 4.571 0 40 GJAB Cc1ccccc1CN1CCC[C@H]1c1nc(-c2ccc(-c3ccncc3)nc2)no1 49155504 YZEAHHDWVZXFLL-QFIPXVFZSA-N 397.482 4.839 0 40 GJAB biogenic,in-vitro Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCC[C@@H]3C)c2c1 49699181 UGDMQTRZGCCDBK-KRWDZBQOSA-N 380.513 4.755 0 40 GJAB CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)C1 58838521 VZLFUVPNCKZOBG-SFHVURJKSA-N 376.456 4.687 0 40 GJAB CCOc1ccc([C@@H](NC(=O)CCc2c(C)noc2Cl)c2ccccc2)cc1 60100764 SNUIXLIYEPLCGD-NRFANRHFSA-N 398.890 4.874 0 40 GJAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc2ccccc12 71980481 BVMPDNPWTJNLIB-STWKMJTMSA-N 395.499 4.698 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cn[nH]c1-c1cccc(Cl)c1 72328862 LIEMBYHKRNDNNV-UHFFFAOYSA-N 379.769 4.679 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(Cl)cc1F)SCC(O)=N2 79482824 CLRSVOUZPUMREE-KRWDZBQOSA-N 388.855 4.792 0 40 GJAB O=C(CSCc1c(F)cccc1Cl)NCCSC1CCCCC1 96237522 ZNUOFOACFYJABE-UHFFFAOYSA-N 375.962 4.894 0 40 GJAB O=C1[C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(O)c1 101996675 MSMNYVHIMRGVNV-WAPCQROESA-N 395.458 4.635 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)COc2ccc3ccccc3c2)c1 222835525 QIMPBSUCYRMICD-UHFFFAOYSA-N 377.484 4.755 0 40 GJAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccccc2OC)c2ccccc2O1 223587021 DIFOLXVUEOPFCW-AEFFLSMTSA-N 383.488 4.661 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 224086346 MBBAWJQTONFTDE-INIZCTEOSA-N 387.892 4.963 0 40 GJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1 225320280 JHPNWXWVQIXLHW-OAHLLOKOSA-N 399.541 4.853 0 40 GJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225847528 CHOVJTILVSRHJX-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@H]32)C1 253497775 BQIBBYLXJDSLIR-LZYQXXIISA-N 376.537 4.893 0 40 GJAB biogenic Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(F)c4)cc3n2)cc1Cl 408619394 BRVHLHQPBZWMJP-UHFFFAOYSA-N 380.810 4.774 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@@H]32)cc1 409002256 ZLZNNUBMNYOMPE-FKBYEOEOSA-N 399.446 4.642 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)OC(C)(C)C)[C@@](O)(C(F)(F)F)[C@H]2C1 409362054 RSQHNRCEXYEWSP-PEBVRCNWSA-N 378.435 4.697 0 40 GJAB FC(F)(F)c1nsc(N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 568367307 OFHRPYSHGLPYMO-NSHDSACASA-N 387.818 4.818 0 40 GJAB Cc1ccc(-c2ncc(-c3nc(-c4ccc5nc(O)[nH]c5c4)no3)s2)c(C)c1 680753511 IBYMGQMJSAVDDO-UHFFFAOYSA-N 389.440 4.726 0 40 GJAB O=C(c1cccc(C(F)(F)F)c1)C1CCN(C(=O)NCc2ccccc2)CC1 1336637 VRXJHTLCLARLIR-UHFFFAOYSA-N 390.405 4.510 0 40 GJAB O=C(O[C@@H](C(=O)NCc1ccccc1)c1ccc(Cl)cc1)c1cccs1 1381188 DMKXCTSPJOONFT-GOSISDBHSA-N 385.872 4.616 0 40 GJAB CC[C@H]1c2c(nc3ccccc3c2Cl)-c2cc3c(c(=O)n21)COC(=O)[C@@H]3CC 1768021 DMEFYKZHPYTSLZ-BZNIZROVSA-N 394.858 4.580 0 40 GJAB O=C1C[C@H](c2csc([C@@H]3CC(=O)OC34CCCCC4)n2)C2(CCCCC2)O1 2105701 ZLYUWLDLNQGNQB-CABCVRRESA-N 389.517 4.610 0 40 GJAB biogenic C[C@H]1CC[C@@H](C)CN1c1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2367090 QZBZBJLSWBHMRZ-OLZOCXBDSA-N 382.533 4.716 0 40 GJAB C[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N(C)Cc1ccccc1 2659244 XKCHQAQUCRLFLF-GOSISDBHSA-N 389.451 4.683 0 40 GJAB Cc1cccc(CN2CCc3c(OCc4ccc(F)cc4)cccc3C2=O)c1 2716524 NICWQRRMXOGTPH-UHFFFAOYSA-N 375.443 4.912 0 40 GJAB O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccc(F)cc1 2917646 PVYUDUKIYGNJLJ-UHFFFAOYSA-N 379.869 4.728 0 40 GJAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc2ccccc2c1 3224033 ZOMYRJDICJIRCR-UHFFFAOYSA-N 390.420 4.594 0 40 GJAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 3311949 VUIMPBOSQSNAHS-AWEZNQCLSA-N 390.528 4.596 0 40 GJAB C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]21CCC(=O)O1 3882028 QZDICFWNRZAVJB-OYGDUULSSA-N 386.532 4.768 0 40 GJAB biogenic COC(=O)c1ccc([C@H]2O[C@H]3CCCC[C@@H]3c3cc(OC)c(OC)cc32)cc1 4788999 RRDRXWGBAPJIMR-GTCCEBARSA-N 382.456 4.636 0 40 GJAB CCSc1nsc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 4898343 PABRNEIPPZKZGA-UHFFFAOYSA-N 382.820 4.966 0 40 GJAB O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1cc2ccccc2o1 4945046 PWVKCVOGQYJJPK-UHFFFAOYSA-N 382.375 4.854 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 5034773 UMRGATLUBVBFMP-UHFFFAOYSA-N 386.407 4.924 0 40 GJAB Cc1cc(NC(=O)c2ccccc2Cl)c(C)cc1I 5538825 BOLJNROVIYQVIV-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB Cc1ccc([C@@H]2c3c(C)n[nH]c3C(=O)N2c2ccc(Br)cc2)cc1 5818311 XWJVUKXMIRJWLR-GOSISDBHSA-N 382.261 4.539 0 40 GJAB Cc1ccc2c(CSc3nnc(C)n3-c3ccccc3)cc(=O)oc2c1C 6109378 ICFCZDBULJXIPG-UHFFFAOYSA-N 377.469 4.591 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H]1CCSc2ccccc21 6852751 RGVBUZWMBJGZIX-INIZCTEOSA-N 383.904 4.801 0 40 GJAB COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 7781327 SMNAPGXKLDFRHI-UHFFFAOYSA-N 386.448 4.756 0 40 GJAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1 8209226 QJZDJOMGBPNXQC-UHFFFAOYSA-N 393.512 4.894 0 40 GJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCSc3ccccc32)o1 8213138 CUGNBPRNQFDHNW-UHFFFAOYSA-N 390.468 4.812 0 40 GJAB O=C(Nc1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 8429379 TUFJKGTZHAVFGE-UHFFFAOYSA-N 381.745 4.584 0 40 GJAB COc1ccc(CCNCc2cccc(OCc3ccccc3F)c2)cc1OC 8493657 SAGNAKMSOIUHLY-UHFFFAOYSA-N 395.474 4.754 0 40 GJAB O=C(OCc1cc(-c2ccco2)on1)c1cc2c(s1)-c1ccccc1OC2 8506694 NAZKERZJOBFOCJ-UHFFFAOYSA-N 379.393 4.913 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCC1CCCCC1 8518485 TXGJIDVFXVTATJ-OAQYLSRUSA-N 398.934 4.898 0 40 GJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1c1ccccn1 8642915 KJLKVJCJWDEBEK-IBGZPJMESA-N 388.810 4.591 0 40 GJAB Cc1cc(C(=O)Nc2ccc(Br)cc2C)c2cnn(C(C)C)c2n1 10964119 KAJDIESUCCHMFI-UHFFFAOYSA-N 387.281 4.644 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)c2c(C)c(C)sc2n1 11135573 CYKWSVNVISFDHO-COPLHBTASA-N 377.579 4.602 0 40 GJAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1ccc(Br)cc1 11863067 NDMAGYHTTQASJA-QPJJXVBHSA-N 397.652 4.788 0 40 GJAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(NC(=O)C(C)(C)C)n(C(C)C)c1C 12321089 ZPHLMRYASNECIK-UHFFFAOYSA-N 394.512 4.642 0 40 GJAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(Cl)c1Cl 12514196 YCXZCEPJHMQYEK-LBPRGKRZSA-N 392.286 4.559 0 40 GJAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CC(c1ccccc1)c1ccccc1 12773126 ATQBKOOIVVPNMW-OAQYLSRUSA-N 387.479 4.507 0 40 GJAB COc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)ccc1OCc1c(C)noc1C 12805059 KPLMTMUJBFEIKK-XLIONFOSSA-N 398.503 4.674 0 40 GJAB CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCc1cccc(Cl)c1 12923123 USEHZCNSMBTJBW-UHFFFAOYSA-N 393.870 4.969 0 40 GJAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(C2CCCCC2)C4)cc1 13687499 LPYZOFKKTIKNPR-UHFFFAOYSA-N 391.467 4.953 0 40 GJAB biogenic Cc1nn(-c2cccc(Cl)c2C)c2c1[C@H](C(=O)c1cccs1)CC(=O)N2 13996989 RCFLAHVMDLMFCK-GFCCVEGCSA-N 385.876 4.513 0 40 GJAB O=C(Nc1ccccc1I)c1cc(Cl)cc(Cl)c1 14429674 BKRZRTFHPYBKIW-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB COc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1OC 19300107 DWJHMKRZSGTQSU-UHFFFAOYSA-N 388.511 4.720 0 40 GJAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2cnc(C(C)C)nc2)cc1OC 19454150 LQAOHYIBEYHTOU-ZZTDLJEGSA-N 395.547 4.679 0 40 GJAB CCOc1ccc(CN[C@H](Cc2ccsc2)c2nc(C)cs2)cc1OC 19533957 YZBYYHUQBLMXAT-QGZVFWFLSA-N 388.558 4.994 0 40 GJAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1cccc(-n2cccn2)c1 19714417 WKULAHFDXCPALI-UHFFFAOYSA-N 378.432 4.696 0 40 GJAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H](C)c1ccc(SC)cc1 20030040 WBMNGFMLBHJVIJ-AWEZNQCLSA-N 379.547 4.580 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccccc2Cl)cc1OCC 20487968 MZGZYVDCERDVQK-KRWDZBQOSA-N 391.895 4.611 0 40 GJAB CCn1cc(C(=O)Nc2cccc(Cl)c2C)c(=O)c2cc(Cl)ccc21 32607918 DBZKPHHAJMNQFZ-UHFFFAOYSA-N 375.255 4.889 0 40 GJAB C[C@H](CNC(=O)CCCOc1ccccc1)c1nc2ccccc2n1C(F)F 32863751 AHXJAVBBDQZDJX-OAHLLOKOSA-N 387.430 4.510 0 40 GJAB O=C(Nc1ccc(F)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 35314495 CJUYMMXAYHMQAG-IUODEOHRSA-N 394.328 4.528 0 40 GJAB CC(C)CCC[C@H](C)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 40128469 NKOFFCVEHLYOJV-SFHVURJKSA-N 387.545 4.605 0 40 GJAB Cc1noc(C)c1CNc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@H]1C 42740639 UWDPXWWERQDNMU-BETUJISGSA-N 375.900 4.960 0 40 GJAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCC2)cc1 43729638 XUCQBPWORLFMCR-UHFFFAOYSA-N 391.342 4.838 0 40 GJAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 59433394 CKGWEVNGNACHBT-VUUXHMSQSA-N 397.449 4.787 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 59746073 IVLXMXYEEYVLET-AEFFLSMTSA-N 382.479 4.830 0 40 GJAB CC(C)(C)Cc1noc2ncc(C(=O)N3CCCc4cc(F)c(F)cc43)cc12 62264781 IQFQFPOZGHFOPK-UHFFFAOYSA-N 385.414 4.683 0 40 GJAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4CCCCC4)cc3)cc2c1 72396088 VMUKXYYEZSWRAN-UHFFFAOYSA-N 377.488 4.529 0 40 GJAB CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)N(C)Cc1ccncc1 79018068 HQPAYPFRPRAWMS-SFHVURJKSA-N 389.337 4.708 0 40 GJAB CCCOc1ccc(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)cc1OCCC 84758615 ARASCLTVOWACHH-WIYYLYMNSA-N 399.531 4.549 0 40 GJAB Cc1nncn1-c1cccc(NC(=O)C[C@H](C)c2ccccc2C(F)(F)F)c1 89740972 CYWNFNMVEDDUCM-ZDUSSCGKSA-N 388.393 4.727 0 40 GJAB Cc1c(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)cnn1CC(C)C 95980915 NEJZFXDZGYJSNG-UHFFFAOYSA-N 398.894 4.727 0 40 GJAB OC1=C2C(=NC(Nc3nc4ccccc4s3)=N[C@H]2c2cccnc2)CCC1 102678510 JKZCXJJMLKJTBZ-SFHVURJKSA-N 375.457 4.651 0 40 GJAB C/C(=C/[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O 112973006 JXTNUXJSXXIIFE-HZMYXVCSSA-N 381.472 4.820 0 40 GJAB CCCC[Sn](CCCC)(CCCC)c1ccc(C=O)cn1 169811537 ZXOSVNOBBUUDNO-UHFFFAOYSA-N 396.163 4.950 0 40 GJAB C[Si](C)(C)c1c(Cl)cc(Cl)c(I)c1Cl 195993096 KUACQPIBWIMHLN-UHFFFAOYSA-N 379.528 4.797 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219332383 NZQYMUIHURXIRH-PMACEKPBSA-N 385.504 4.746 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)ccc1Cl 219531609 HWTRAOSBWACTJI-CQSZACIVSA-N 375.852 4.540 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219596957 XKZFBWSUEOXWHH-PMACEKPBSA-N 383.488 4.580 0 40 GJAB Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222768557 PFFZIEUTWRJJFT-FQEVSTJZSA-N 394.559 4.568 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccco2)c1C 222864925 PLICSJKLSOUMQK-RTWAWAEBSA-N 394.544 4.524 0 40 GJAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc2c(c1)oc1ccccc12 224076904 LPMPLCSPKVAKDV-UHFFFAOYSA-N 394.452 4.518 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)[nH]1 224860727 FIAJJZUUHYFSLD-MOPGFXCFSA-N 398.919 4.563 0 40 GJAB Cc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1N1CCCC1=O 225360969 LOMDKDFTMZQHJB-UHFFFAOYSA-N 391.298 5.000 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCCC1 225707210 ARBBDOMBESPRPC-IBGZPJMESA-N 388.552 4.618 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225738580 GLHSCGYEQQACQA-HSZRJFAPSA-N 390.568 4.721 0 40 GJAB Fc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1Cl 225819098 UZZKACWWCIJGLF-UHFFFAOYSA-N 397.262 4.669 0 40 GJAB CC1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2N)CC1 226266191 JXQGCBHNJGSLJB-UHFFFAOYSA-N 388.309 4.520 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccc(N)cc2Br)o1 226304742 MSGMRUFGLHWUIT-RYUDHWBXSA-N 377.282 4.694 0 40 GJAB O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Nc1ccccc1Oc1ccccc1 257208047 BKLBBIQFKLOMLF-VDKIKQQVSA-N 388.511 4.963 0 40 GJAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)c(C)c1 408628144 QANBPKPPQYSCII-UHFFFAOYSA-N 381.501 4.971 0 40 GJAB O=C(Nc1cccc2ccccc12)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408642297 NXOBHLKBWMUPBO-IBGZPJMESA-N 380.447 4.985 0 40 GJAB Cc1ccc([C@@H](N[C@H](C)C2CC(F)(F)C2)c2cccc(S(C)(=O)=O)c2)cc1 529543297 UEEYYNVNSGMIQA-FOIQADDNSA-N 393.499 4.511 0 40 GJAB CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccccn3)cs2)cc1 585294523 HSYXVIRDDGSWNV-HXUWFJFHSA-N 392.528 4.690 0 40 GJAB CCN(Cc1ccc(OC)cc1)C(=O)c1csc(Nc2ccc(OC)cc2)n1 607045606 LRGVHMHKYIADEH-UHFFFAOYSA-N 397.500 4.566 0 40 GJAB O=C(c1csc(-c2ccc(Cl)cc2)c1)N1CCc2ccccc2[C@H]1CO 1546338865 MEFCHSBTKXPDAF-LJQANCHMSA-N 383.900 4.800 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1ccc(F)cc1Cl 1775976625 CKNNQJYJWFHORB-QGZVFWFLSA-N 375.852 4.671 0 40 GJAB CCOC(=O)c1c(NC(C)=O)sc2c(O)c(Sc3ccccc3)ccc12 846741 UHPCKDBBKUZXDE-UHFFFAOYSA-N 387.482 4.893 0 40 GJAB COc1cc(/C=C/C(=O)Nc2nc(C)c(C)s2)ccc1OCc1ccccc1 938666 WYHMDWVYTHPOTB-ZRDIBKRKSA-N 394.496 4.999 0 40 GJAB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C(=O)N1c1ccccc1 2087646 NSQNBXBJKYAZOR-FYYLOGMGSA-N 393.446 4.651 0 40 GJAB biogenic C1=NC2=NC3=C([C@@H](c4ccccc4)Oc4ccccc43)[C@H](c3cccs3)N2N1 2253394 JNFBXKJPXGUGLE-LEWJYISDSA-N 384.464 4.552 0 40 GJAB Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1Cl 2410424 DBQKJCBKYZPQMC-UHFFFAOYSA-N 381.859 4.990 0 40 GJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2nc3ccccc3s2)c1C 2723068 PDAJIRFKNGIOPJ-UHFFFAOYSA-N 394.525 4.830 0 40 GJAB CC[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H](CC)c1ccccc1)c1ccccc1 2774305 YFOSGPVEFATTDF-VXKWHMMOSA-N 394.559 4.633 0 40 GJAB C[C@H]1CCc2c(sc3ncn4nc(-c5ccc(OC(F)F)cc5)nc4c23)C1 2790229 HYPFKUYHIWXDQP-JTQLQIEISA-N 386.427 4.732 0 40 GJAB c1ccc(CNc2nc(NCc3ccccc3)nc(NCc3ccccc3)n2)cc1 3158676 WNHWOHOTTGCSET-UHFFFAOYSA-N 396.498 4.708 0 40 GJAB CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccccc1Cl 3176611 ACLWBEWVFYECLS-LJQANCHMSA-N 379.843 4.751 0 40 GJAB O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCCCC1 3192790 MTHBBLOCKYFYHP-HXUWFJFHSA-N 394.342 4.946 0 40 GJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc(C(F)(F)F)c1 4003168 XLKZBQQAVOWQHD-UHFFFAOYSA-N 387.283 4.713 0 40 GJAB Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1c(Cl)cccc1Cl 4679295 WBDMBULRDWSMGC-UHFFFAOYSA-N 376.243 4.735 0 40 GJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc(OC)c(OC)c1 4849307 ZQGMIAIOXMREPQ-UHFFFAOYSA-N 396.512 4.854 0 40 GJAB O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CC[C@H](c3ccccc3)C[C@H]12 4914207 RCHDAULJZFKSGX-UWJYYQICSA-N 393.914 4.957 0 40 GJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1c(Cl)cccc1Cl 5127321 ISLFTMHCOWVLFA-UHFFFAOYSA-N 382.287 4.692 0 40 GJAB Cc1noc(C)c1COc1ccccc1C(=O)OCc1nc2ccccc2s1 5367926 HJWAXUAVUKFYPE-UHFFFAOYSA-N 394.452 4.837 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)NCCOc1cccc2ccccc12 5876558 FDOOHQSSOMHMBH-UHFFFAOYSA-N 390.266 4.721 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 6270170 KIJAGGVGNPVTJY-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1 6752936 HBGUQYQFTSJROH-JOCHJYFZSA-N 391.471 4.526 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2c3c(nc4ccccc24)CCC3)c(C)c1 7119842 KWLDYPINXBFOSR-INIZCTEOSA-N 388.467 4.524 0 40 GJAB O=S(=O)(c1ccccc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 7307012 SWMCWYWGJALJAD-ZDUSSCGKSA-N 392.933 4.518 0 40 GJAB O=C(Nc1ccc2c(c1)CCC2)c1ccccc1OCc1cn2ccccc2n1 7319000 BJGDLDCJEJMCBS-UHFFFAOYSA-N 383.451 4.654 0 40 GJAB O=C(Cc1ccccc1Cl)Nc1cccc(-c2nnc3n2CCCCC3)c1 8188949 GANBHEWBGILTHO-UHFFFAOYSA-N 380.879 4.506 0 40 GJAB CCN(C(=O)[C@@H](C)Sc1nnc(NCc2ccccc2)s1)c1ccccc1 8192346 GGYBETLAMXPVIH-OAHLLOKOSA-N 398.557 4.684 0 40 GJAB CCOCCCNCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 8253174 AXJNUZNIVPVSOC-UHFFFAOYSA-N 381.875 4.583 0 40 GJAB COc1ccc(C(=O)N(CCc2ccccc2)Cc2cccs2)c(OC)c1 8394227 CEHRGXNMOWIURB-UHFFFAOYSA-N 381.497 4.650 0 40 GJAB COc1cc(C)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1OC 8428020 RYSLJUMXFNNLOA-UHFFFAOYSA-N 399.450 4.875 0 40 GJAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccc(C(F)(F)F)cc1 8746336 ZGCHPJSOIONPRG-LLVKDONJSA-N 379.407 4.711 0 40 GJAB Cc1cc(OCC(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)ccc1Cl 9250593 GNZUMRWWJBHXNO-UHFFFAOYSA-N 378.762 4.599 0 40 GJAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(Cl)cc1Cl 10281487 JQRAMCOWYHCNNV-UHFFFAOYSA-N 377.315 4.909 0 40 GJAB Cc1cccc(-n2c(C)nnc2SCc2noc(-c3ccc(Cl)cc3)n2)c1 12538024 HAAPLFZHSGGDJG-UHFFFAOYSA-N 397.891 4.880 0 40 GJAB O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1Cl 12781662 ODAVERUMYNRLKB-QHHAFSJGSA-N 394.652 4.526 0 40 GJAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(c1ccccc1)c1ccccc1 12785232 XQIDXXCNFFCCEN-DEOSSOPVSA-N 384.523 4.772 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 12945267 LALUQRYRYHVCHZ-CQSZACIVSA-N 376.456 4.722 0 40 GJAB COc1cc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 13935621 QOMPVFZYKYYLKW-UHFFFAOYSA-N 386.395 4.540 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 14673430 LTYXSEYKDRYKSR-MRXNPFEDSA-N 380.513 4.553 0 40 GJAB CCOc1cc(OCC)c(/C=C2/C(=O)Nc3ccccc32)cc1Br 15011376 AIYPYZZIPRKJAZ-NTEUORMPSA-N 388.261 4.739 0 40 GJAB Cc1ccc(CSc2nc(=O)n(-c3ccc(Cl)cc3)c3c2CCC3)cc1 15840466 ZMKLUMADMUGWFA-UHFFFAOYSA-N 382.916 4.975 0 40 GJAB CC(C)(C)c1cc([C@H](c2ccccn2)N2CCOCC2)cc(C(C)(C)C)c1O 19790505 FHIRILMXIWNDLT-OAQYLSRUSA-N 382.548 4.804 0 40 GJAB CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1cccc(C)c1 19927638 CUTFLEKPBLGLHL-UHFFFAOYSA-N 395.463 4.755 0 40 GJAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN2CCSC2=O)cc1 23200000 SCBHQVMMXVGIHL-UHFFFAOYSA-N 376.865 4.548 0 40 GJAB COc1ccc(CN(C(=O)c2ccc(Cl)c(Cl)c2)C2CC2)c(OC)c1 25291967 FYLOVZZWCUNALR-UHFFFAOYSA-N 380.271 4.815 0 40 GJAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccccc3)c3ccccc23)c(C)c1 28535290 QJDOHOCQBDVWSV-UHFFFAOYSA-N 383.451 4.781 0 40 GJAB O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCC(OCc2ccccc2)CC1 32795871 LPKPAUWMMJXNIH-UHFFFAOYSA-N 388.511 4.868 0 40 GJAB CCN(CC)Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c2ncccc12 32810237 OYXJJHVEKNREFZ-UHFFFAOYSA-N 397.906 4.748 0 40 GJAB CN(C(=O)COc1ccc(Oc2ccccn2)cc1)[C@@H]1CCCc2ccccc21 32907189 RGAHWCJZGVXLDU-JOCHJYFZSA-N 388.467 4.789 0 40 GJAB O=C(Nc1cc(F)ccc1F)C1(c2cccc(C(F)(F)F)c2)CCOCC1 52932716 YRCZQAIHTTZILZ-UHFFFAOYSA-N 385.332 4.671 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c1C 57380579 YXJHFBMIUPTZDN-UHFFFAOYSA-N 395.528 4.506 0 40 GJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 59351475 CBYBLQWQFPKGSU-GJZGRUSLSA-N 376.294 4.711 0 40 GJAB CSc1cccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 65564190 YGPPABAWZTXSFD-SNVBAGLBSA-N 376.532 4.591 0 40 GJAB Cc1nc(C)c2c(C)c(C(=O)Nc3ccccc3NCC(F)(F)F)sc2n1 65594398 YKFXNZRFZCTOTB-UHFFFAOYSA-N 394.422 4.843 0 40 GJAB CC(=O)N1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 72215856 DVXCSOLCQYONIL-IBGZPJMESA-N 381.476 4.838 0 40 GJAB Cn1c([C@@H]2CCCCN2C(=O)c2ccc(C(F)(F)F)cc2)nc2ccccc21 84313992 LKQCOWBKCHDLRP-SFHVURJKSA-N 387.405 4.960 0 40 GJAB COc1ccccc1C(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 170640222 LFSZYIFESKFSPE-KRWDZBQOSA-N 388.467 4.781 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1C1CCCC1 222825267 DHLBZFQESXZCFX-RTWAWAEBSA-N 382.577 4.996 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223047056 XFZULKAXNPSUJF-HNNXBMFYSA-N 387.892 4.963 0 40 GJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(Cl)c1 224996420 ZONKCHXHNUJUKV-UHFFFAOYSA-N 378.859 4.831 0 40 GJAB COc1ccc(C2=NN3[C@H](C(=O)c4ccc(C)cc4)Oc4ccccc4[C@H]3C2)cc1 245377319 JOQDHTFSKNHSBS-RDGATRHJSA-N 398.462 4.756 0 40 GJAB COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OCc1ccccc1C 256028199 YIWFJWCLTUIRIJ-UHFFFAOYSA-N 388.423 4.824 0 40 GJAB O=C(NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1)C1CCCCC1 257230600 GDAQCOMLNVUQLU-UAPYVXQJSA-N 378.520 4.509 0 40 GJAB CC(C)Cn1cnc2c1C1(CCN(Cc3ccco3)CC1)Oc1ccccc1-2 306131831 KQONERXEFYKCJR-UHFFFAOYSA-N 377.488 4.683 0 40 GJAB Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(F)cc3)n2)c1 408698365 MYKTYNIXQNDGJW-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CO[C@@H](C(=O)NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1 408924447 OGVBDMLRFOFDOA-QGZVFWFLSA-N 384.328 4.731 0 40 GJAB O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 590581702 PSEAJQKPHBXYQH-LJQANCHMSA-N 388.423 4.580 0 40 GJAB CC(C)(C)c1cc(NC(=O)CSc2ccc(Cl)cc2)c(C(N)=O)s1 1026326 SJAWZHSRUWDVID-UHFFFAOYSA-N 382.938 4.529 0 40 GJAB CCOc1cc(/C=C/C(=O)O)ccc1OCc1ccc(Br)cc1 1100099 NPHMHCSWUARTTM-UXBLZVDNSA-N 377.234 4.525 0 40 GJAB biogenic O=C(c1cccc(Cl)c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1359809 GDGCQTRJWZNMDQ-HNNXBMFYSA-N 385.826 4.549 0 40 GJAB O=C(Nc1ccc(F)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 1392016 SJPWRKFPLMHVOX-UHFFFAOYSA-N 383.732 4.936 0 40 GJAB Cc1ccc(S(=O)(=O)N2c3ccccc3CCN2/C=C/c2ccccc2)cc1 1577961 VRFPLHHQZPHNSG-BMRADRMJSA-N 390.508 4.634 0 40 GJAB CCCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1 2175752 PQOQLJKCRGTHKQ-OAHLLOKOSA-N 386.879 4.511 0 40 GJAB CCC[C@H]1Cc2c(sc3nc(SCCc4ccccc4)nc(N)c23)CO1 2214436 PNEYHODAPQNVMQ-AWEZNQCLSA-N 385.558 4.850 0 40 GJAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1Cl 2376194 USXGEUOADKRJJW-UHFFFAOYSA-N 379.851 4.838 0 40 GJAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C(C)C)c1 2696976 AHYVEDAMMXLMFQ-IRXDYDNUSA-N 381.582 4.855 0 40 GJAB CCCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(OC)c1 2720745 WOOVACCKJJQZFX-UHFFFAOYSA-N 379.485 4.768 0 40 GJAB O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)Nc1ccccc1 3476744 NNWDJTYWMNVZHZ-UHFFFAOYSA-N 395.842 4.715 0 40 GJAB Cc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccncc2)cc1C 3569170 NKNIABREXHZCGQ-IBGZPJMESA-N 380.517 4.607 0 40 GJAB COCCCN(C(=O)c1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 4169372 AGEJQACHPLIXPL-UHFFFAOYSA-N 382.485 4.502 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1c(F)cccc1F 4305470 OAGSYBVKQKZWJH-GOSISDBHSA-N 384.451 4.560 0 40 GJAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 4386048 FJNGSZZWNRFJMQ-GOSISDBHSA-N 391.515 4.538 0 40 GJAB COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1cccs1 4487784 DDOIJDYULCPOBE-UHFFFAOYSA-N 386.860 4.915 0 40 GJAB COc1cccc2cc(-c3nnc(Nc4cccc(C)c4C)s3)c(=O)oc12 4662917 JUQUVQXSTJTDTH-UHFFFAOYSA-N 379.441 4.681 0 40 GJAB COc1cccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)c1 4941119 WRORWTGVMXJSNV-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB CC1CCN(Cn2nc(-c3ccccc3F)n(-c3ccccc3)c2=S)CC1 5261112 QZBJTKACTNDADN-UHFFFAOYSA-N 382.508 4.899 0 40 GJAB Cc1cccc(-c2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)o2)c1 5505535 HBVPQOFSBHZTQI-IBGZPJMESA-N 393.512 4.891 0 40 GJAB CCN(CC)c1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 6318402 HRDZBROZDQSHGP-IOMROCGXSA-N 389.536 4.694 0 40 GJAB O=C1/C(=C/Nc2ccccc2O)c2ccccc2C(=O)N1c1ccccc1Cl 6455174 ZYCADTMXPNPNLZ-DTQAZKPQSA-N 390.826 4.686 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1Cl 6595888 GDEJCQXTBGUSJB-UHFFFAOYSA-N 390.867 4.594 0 40 GJAB CCCCN1C(=O)S[C@@H](Cc2ccc(OCc3ccccc3)c(OC)c2)C1=O 6647627 VWUGQZVMDZXLQD-FQEVSTJZSA-N 399.512 4.681 0 40 GJAB CCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1 6752937 HBGUQYQFTSJROH-QFIPXVFZSA-N 391.471 4.526 0 40 GJAB CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1C1CC1 7618404 UWHCCSOPUAMEPS-SFHVURJKSA-N 396.491 4.787 0 40 GJAB Cc1cc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc(C)c1O 7699999 GABFFWWOIUSHLV-NTEUORMPSA-N 386.373 4.682 0 40 GJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccccc1C(F)(F)F 7726081 CTYFROBNYFPTPS-UHFFFAOYSA-N 378.350 4.532 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 7848253 NSUWKKGIAATRRO-DEOSSOPVSA-N 399.494 4.914 0 40 GJAB CCOc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 8281042 IQPGTRNEOCBBKA-UHFFFAOYSA-N 387.439 4.564 0 40 GJAB COc1cc(CNCCCN(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 8373855 QWGPROZHRRYEQX-UHFFFAOYSA-N 397.346 4.622 0 40 GJAB CC1(C)Cc2c(c(-c3ccccc3)nc3sc4c(=O)[nH]c(=S)[nH]c4c23)CO1 8564342 ZXQZNRYVGMYVQG-UHFFFAOYSA-N 395.509 4.714 0 40 GJAB COc1ccc(CC(=O)NC2=Nc3ccccc3N=C(C)[C@H]2c2ccccc2)cc1 9355702 YTTUAMNTVNGBSW-DEOSSOPVSA-N 397.478 4.974 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 9596585 YKSWVAHKSMKBKO-UHFFFAOYSA-N 387.405 4.780 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(CN2CCCCC2)cc1 10287979 QRSTYFALWIBKQZ-UHFFFAOYSA-N 379.529 4.554 0 40 GJAB CN1CCC[C@H]1CCn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21 12233908 YPNONDSQKUDLOL-INIZCTEOSA-N 385.870 4.544 0 40 GJAB Cc1cc(C)cc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)c1 12627365 MGYKLKUGJFQXQG-QFIPXVFZSA-N 383.495 4.904 0 40 GJAB COCC(=O)N(c1ccc(SC(F)F)cc1)c1nc2ccccc2s1 12769296 XBYIUZNCEMUWNF-UHFFFAOYSA-N 380.441 4.922 0 40 GJAB C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 12772843 RZOUMGXGFJZWKC-CYBMUJFWSA-N 391.298 4.540 0 40 GJAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1Br 12861359 SGZXUSFTKDJVAU-GFCCVEGCSA-N 394.290 4.577 0 40 GJAB C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)cc1 12897189 ABHXPEWJFNMCMA-CQSZACIVSA-N 386.879 4.671 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1 13002035 MSRMMYFWSBROEJ-QGZVFWFLSA-N 397.906 4.568 0 40 GJAB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCO3)CC(O)=N2 13550759 PVZHZKKLGSIIJY-HNNXBMFYSA-N 381.819 4.686 0 40 GJAB CSc1nc2ccc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)cc2s1 14849374 OXMAOCMBEMLTDE-CYBMUJFWSA-N 397.525 4.548 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)OC(c3ccccc3)c3ccccc3)CC2=O)cc1 16292894 FEUYTNKFBWEXJI-OAQYLSRUSA-N 385.463 4.681 0 40 GJAB O=C(NC1CCCCCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 18209593 HXQNIXSQOFTYER-CJNGLKHVSA-N 396.413 4.589 0 40 GJAB COc1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)ccc1OC(C)C 19450766 XACCGWRZEZBWIL-LJQANCHMSA-N 379.504 4.738 0 40 GJAB COc1ccc(OC)c(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 20458041 KBDLAOPOGOQLGS-UHFFFAOYSA-N 388.467 4.519 0 40 GJAB CCCOc1ccc(C(=O)Nc2nc([C@H]3COc4ccccc4O3)cs2)cc1 20462965 UEBAIELJMNRJGH-LJQANCHMSA-N 396.468 4.697 0 40 GJAB O=C(NCCC(c1ccccc1)c1ccccc1)N(Cc1ccncc1)C1CC1 24638170 TXUYJRZKRJITJV-UHFFFAOYSA-N 385.511 4.978 0 40 GJAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 35314808 SNRISPBGLTUYOP-UHFFFAOYSA-N 393.512 4.795 0 40 GJAB CN(Cc1ccc(F)cc1F)C(=O)c1cc(-c2ccncc2)nc2ccccc12 36705532 QYZINFYGLWRJIP-UHFFFAOYSA-N 389.405 4.847 0 40 GJAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl 38850216 PNXDMOYJAYAPKE-HNNXBMFYSA-N 393.314 4.853 0 40 GJAB Cc1ccc(C)c(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 40022016 IWUXYSYPHGJLNL-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB C[C@@H](NC[C@H](O)COCC(c1ccccc1)c1ccccc1)c1ccccc1 40373199 YXBCIFNYBRWTHM-YKSBVNFPSA-N 375.512 4.547 0 40 GJAB CN1CCN(c2nc3c(c(-c4ccccc4)n2)CCC/C3=C\c2ccccc2)CC1 40385509 NEBCTOVORGABHP-ZBJSNUHESA-N 396.538 4.772 0 40 GJAB CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccccc2Cl)Cc2c[nH]c3cccc1c23 49171379 PQPOVTZTSXROCV-SFTDATJTSA-N 395.934 4.739 0 40 GJAB biogenic,in-vitro CSc1sc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C)nc1C 58157918 NCAUHCPGKYEDMF-UHFFFAOYSA-N 378.910 4.573 0 40 GJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)NC(=O)CS2 69757843 DNZPGPWTIBHJRK-IEBWSBKVSA-N 395.528 4.921 0 40 GJAB O=C(CCn1ccc2ccc(Br)cc21)Nc1cccc2[nH]ccc12 70666401 CSLDOGFLQONZKO-UHFFFAOYSA-N 382.261 4.914 0 40 GJAB biogenic CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72214406 GLUMDNZZUOVXLC-HNNXBMFYSA-N 377.485 4.891 0 40 GJAB Cc1ccc(CN(C)C(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)cc1 95365156 ILTGFRLAYGQQCA-UHFFFAOYSA-N 382.529 4.627 0 40 GJAB Cc1cccc(C(=O)Nc2cc(Cl)cc(-c3nc4ccccc4[nH]c3=O)c2)c1 95939594 SLMVTEBZGHMTIZ-UHFFFAOYSA-N 389.842 4.804 0 40 GJAB CCCOc1ccc(Cn2c(=S)[nH]c3c(sc4ncccc43)c2=O)cc1 101275689 VCVSANFSPRODJM-UHFFFAOYSA-N 383.498 4.506 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCc1cccc(OC(C)C)c1 219374520 RQWKKBPELPAUPE-JOCHJYFZSA-N 383.532 4.997 0 40 GJAB COc1ccc(-c2nnc(NC(=O)CCSc3ccc(C)cc3)s2)cc1 223327438 TTWRIMGTCRNPGH-UHFFFAOYSA-N 385.514 4.643 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1cccc2ccccc12 223551919 UUFGOBOCEUCINC-JOCHJYFZSA-N 377.484 4.809 0 40 GJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)cc1F 224279325 JTHJSGLQMLPZOI-GFCCVEGCSA-N 392.268 4.873 0 40 GJAB CN(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224879179 UMOLUYXZJNUHHO-UHFFFAOYSA-N 399.288 4.695 0 40 GJAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(Br)cc2F)c1 225524015 SSRVORXGSNCEPK-UHFFFAOYSA-N 397.313 4.862 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccccc2C)ccc1Cl 225754404 NLVKKANWQPBKHC-ZDUSSCGKSA-N 376.909 4.873 0 40 GJAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3cccc(OC)c3)nc2c1 226283788 JOECIFHOHPXEPI-UHFFFAOYSA-N 378.350 4.727 0 40 GJAB COc1cccc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@H]2c2ccccc2)c1 239415218 UABJRCUJCCIBRR-QZNHQXDQSA-N 383.919 5.450 0 40 GJAB O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408693844 FWDZMHZTXAHICO-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1C[C@@H]1c1ccc3ccccc3c1)CC2 534410055 DWZDBHNAZAKYJT-RPBOFIJWSA-N 383.491 4.773 0 40 GJAB Cc1c(C(=O)N2C[C@@H](C)c3ccccc32)cnn1-c1cccc(C(F)(F)F)c1 559301506 BMJFJQZSIIKXFL-CYBMUJFWSA-N 385.389 4.963 0 40 GJAB Cc1cccnc1CN1CCC[C@@H]1c1csc(NC(=O)c2ccc(F)cc2)n1 585274340 VHGJKKLWSDLGLD-LJQANCHMSA-N 396.491 4.575 0 40 GJAB Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CC3CC3)c(=O)c12 1889125072 YPQURHBQXDMJKA-UHFFFAOYSA-N 398.875 4.547 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)NCc4ccccc4Cl)c(N)c3cc2C1 661885 RNCFVPVQGJGUJX-LBPRGKRZSA-N 399.947 4.977 0 40 GJAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(O)cc4)c3n2)cc1 815362 VFWZKUKGQNQOGD-UHFFFAOYSA-N 394.381 4.600 0 40 GJAB Cc1cc(C)c(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1C 944464 GRWYCFWUPOWDPS-UHFFFAOYSA-N 399.493 4.734 0 40 GJAB COc1ccc(NCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1Cl 987361 FFCZPGGNEWRBCO-PXNMLYILSA-N 392.839 4.594 0 40 GJAB CCN(CC)C(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@@H](C)C3 1377299 XEZJHPFABWFUJE-GFCCVEGCSA-N 389.590 4.654 0 40 GJAB Cc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1-c1ccccc1 2652309 NFEYWDZKUHWKLQ-UHFFFAOYSA-N 383.864 4.571 0 40 GJAB Cc1ncsc1CCOC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3182613 RYYWVEDXLPDVCD-UHFFFAOYSA-N 383.498 4.560 0 40 GJAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccccc1-c1ccccc1 3330788 JJLNRHRKOARNNF-UHFFFAOYSA-N 379.843 4.731 0 40 GJAB CC(C)=CC(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 3370709 LCYOOZZTPVNVLU-UHFFFAOYSA-N 375.877 4.939 0 40 GJAB COc1ccc2c(CC(=O)Nc3ccc(Br)cc3F)coc2c1 3611559 GKOBPCDMWVIAEF-UHFFFAOYSA-N 378.197 4.524 0 40 GJAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 4910739 LOTLNWBRCGFOJO-MRXNPFEDSA-N 381.907 4.852 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C12CC3CC(CC(C3)C1)C2 4925678 QCVGKJHBQNIQDQ-UHFFFAOYSA-N 396.512 4.736 0 40 GJAB O=C(CSc1nc2cc(Cl)cc(Cl)c2[nH]1)N1CCc2ccccc2C1 5265684 RYLDENSHEFZUIS-UHFFFAOYSA-N 392.311 4.547 0 40 GJAB CCCCN(CCCC)CCCNc1ncnc2c1[nH]c1cccc(OC)c12 5557429 VHVCJTFHPTXASY-UHFFFAOYSA-N 383.540 4.824 0 40 GJAB O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc2ccccc2c1 5722366 WQCYNLDLKZSHSU-FQEVSTJZSA-N 386.234 4.559 0 40 GJAB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)CC1 5976478 VYFFCFOVKNHKMR-UHFFFAOYSA-N 383.435 4.622 0 40 GJAB Cc1ccc(-c2nc(C)c(C(=O)NCCc3c[nH]c4ccccc34)s2)cc1 6661518 KPTBXHDVJYQOIF-UHFFFAOYSA-N 375.497 4.881 0 40 GJAB Cc1cc(C)c(OCC(=O)N(Cc2cccc(F)c2)Cc2ccco2)c(C)c1 6747596 OLBMZLMGLHXTAY-UHFFFAOYSA-N 381.447 4.952 0 40 GJAB O=C(COc1ccc(F)cc1)Oc1cc(-c2ccccc2)c2oc(=O)sc2c1 6809644 CMZRWVQDYKGKIR-UHFFFAOYSA-N 396.395 4.645 0 40 GJAB Cc1cc2sc(NC(=S)NC(=O)/C=C/c3ccccc3)nc2cc1Cl 6826387 PIVMAMZFBUOEOH-BQYQJAHWSA-N 387.917 4.785 0 40 GJAB CCCOc1cccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)c1 7262760 FCRASBQESXBDQC-UHFFFAOYSA-N 376.865 4.756 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3ccc4ncsc4c3)sc2C)cc1 7670650 GOEWRXKRCMFEBX-UHFFFAOYSA-N 381.482 4.989 0 40 GJAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]1c1nc2ccccc2s1 7987096 GYYAXRGQZNTJNP-NSHDSACASA-N 384.935 4.537 0 40 GJAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc2ccccc2c1 8075673 ZFPMMDBOKJFZPR-AWEZNQCLSA-N 392.528 4.613 0 40 GJAB COc1ccc2nc(SCC(=O)N3CC[C@H](C)Sc4ccccc43)[nH]c2c1 8231624 BMONZKPFZLDKCI-ZDUSSCGKSA-N 399.541 4.581 0 40 GJAB CN(C(=S)NC1CCCCC1)[C@@]1(c2ccccc2Cl)CCCCC1=O 8691249 CBXZCXFSSRYOGA-HXUWFJFHSA-N 378.969 4.817 0 40 GJAB O=c1c2ccccc2n(Cc2cccc(Cl)c2)c(=O)n1-c1ccc(Cl)cc1 10156741 NQBXBJUJVDCZDB-UHFFFAOYSA-N 397.261 4.508 0 40 GJAB COc1ccc(-c2nsc(NC(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1 12111389 JTQNSABKLVWADI-UHFFFAOYSA-N 397.500 4.529 0 40 GJAB COc1ccccc1CNc1ncc(-c2cc(C)no2)c(-c2ccc(C)o2)n1 12185963 NOJLIIXWLRMJPB-UHFFFAOYSA-N 376.416 4.629 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H]1CCSc2c(F)cccc21 12622518 WRRSZQOVPAWEMZ-CQSZACIVSA-N 385.489 4.620 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC=C(c2ccccc2)CC1 12796004 SRJXYPXTLGNAEB-HNNXBMFYSA-N 386.289 4.532 0 40 GJAB CN(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl 12863977 BBBOALJFZHCTEW-UHFFFAOYSA-N 390.874 4.502 0 40 GJAB CCOc1ccccc1CCCNC(=O)CCCOc1ccc(Cl)cc1 13673200 QPDWHZYJWQPXOV-UHFFFAOYSA-N 375.896 4.647 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 16261750 ZYWUSWXAUNBUAY-INIZCTEOSA-N 394.689 4.900 0 40 GJAB NC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 17481580 KQPJVBOHXDSQGK-UHFFFAOYSA-N 396.899 4.984 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cccnc3)cc2n1 19452364 RYPDCGZMGCGPHG-KRWDZBQOSA-N 389.425 4.604 0 40 GJAB COc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCCC2)cc1Cl 21170972 VZPYBEVZQAIQDN-GOSISDBHSA-N 378.944 4.609 0 40 GJAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccc(C)nc2)c1 23508800 GBKGGFJPTSVJTC-GOSISDBHSA-N 387.483 4.752 0 40 GJAB C[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1cccc(F)c1 24954050 DIPAUWSFILCATB-CQSZACIVSA-N 376.431 4.818 0 40 GJAB C[C@H](NCc1cccc(OCc2ccccn2)c1)c1ccc(-n2ccnc2)cc1 30544910 XRQJBRYJYPLMMO-IBGZPJMESA-N 384.483 4.697 0 40 GJAB Cc1ccccc1C(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 32906619 AZRVRONJJUKTRS-UHFFFAOYSA-N 398.506 4.714 0 40 GJAB O=C(Cc1coc2cc3c(cc12)CCC3)N(Cc1cccnc1)Cc1ccco1 40050525 SERZQOQLPUXYSC-UHFFFAOYSA-N 386.451 4.681 0 40 GJAB CCOc1ccccc1OCCCC(=O)Nc1ccc(N(C)C)c(Cl)c1 40152530 CFMUTMUEMQBRCK-UHFFFAOYSA-N 376.884 4.602 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1OCC 44843713 HAJMRUBSYLRBPB-BEFAXECRSA-N 389.467 4.658 0 40 GJAB C=CCn1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c2ccccc21 50547856 WPQXZGOUQTVXGT-UNOMPAQXSA-N 375.453 4.921 0 40 GJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(Cl)cc3)n2)cc1 57486832 QIYVMIKHTYJXEE-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB O=C(NCCc1ccn(-c2ccccc2)n1)c1ccc(Oc2ccccc2)cc1 58191491 MPKIEWWLYGVKSP-UHFFFAOYSA-N 383.451 4.637 0 40 GJAB C[C@H]1CNC(=O)N1c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 58249775 VMNPABPWKSONSW-WMADIVHISA-N 390.270 4.563 0 40 GJAB CC(C)(C)[C@@H]1CCc2sc(-c3nnc(SCCn4cccn4)o3)cc2C1 63414436 XZURVZHSINHTMG-CQSZACIVSA-N 388.562 4.938 0 40 GJAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1 67190102 UCYMNPHRZCTOAE-FLFQWRMESA-N 375.815 4.966 0 40 GJAB CC(C)(C)CN(C[C@@H](O)c1ccccc1)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 72313617 UXXLIFCSSYOQJI-GOSISDBHSA-N 398.503 4.808 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72349826 FPZSVMIVNYEGLL-HNNXBMFYSA-N 381.476 4.672 0 40 GJAB O=C(O)C[C@@H](CC(=O)N(Cc1ccsc1)Cc1ccco1)c1cccs1 90607333 LZMDVBVWSGBPPG-OAHLLOKOSA-N 389.498 4.580 0 40 GJAB O=C(/C=C/c1ccccc1Cl)NCC(O)(c1cccs1)c1cccs1 90617131 XROIHEMYGMFCLO-MDZDMXLPSA-N 389.929 4.529 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 95392592 BXZJPIKAMOKUFX-SNVBAGLBSA-N 378.910 4.831 0 40 GJAB Cc1ccc(NC(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1Cl 95938994 DHEFOWIKROWGOU-OAHLLOKOSA-N 381.904 4.512 0 40 GJAB CC(C)CN(C)C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96154629 CZVXTBSAKWATGP-UHFFFAOYSA-N 398.532 4.670 0 40 GJAB O=C(CCCc1cc(Cl)sc1Cl)N1CCC([C@@H]2CCCO2)CC1 97104277 FKLDVNRWJNLDNY-AWEZNQCLSA-N 376.349 4.795 0 40 GJAB CCS[C@@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(Br)c2)o1 97165590 VUTCRULRLWUIAP-LSDHHAIUSA-N 396.354 4.653 0 40 GJAB COc1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 101464026 RXDMGQRDANHXGB-MFOYZWKCSA-N 388.876 4.763 0 40 GJAB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102703613 IZLCXQURFXKYCG-QKKBWIMNSA-N 392.409 4.930 0 40 GJAB Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3O)C2)c(O)o1 137819609 VAVQDOVUHLLCCN-LJQANCHMSA-N 379.437 4.717 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccccc2)c1C 222781653 MNKPEEMPWIOJAH-FCHUYYIVSA-N 390.556 4.541 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(C)C 223149976 CBVCSAJMZXESAL-UHFFFAOYSA-N 398.322 4.690 0 40 GJAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223407817 YTBADKIEXLXWCH-OAQYLSRUSA-N 386.923 4.736 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)c(C)c1 223584031 HAZYBJFXVQHWKL-QFIPXVFZSA-N 395.524 4.688 0 40 GJAB COc1cc(C)c(C(=O)NCc2cccc(CN3CCCC3)c2)cc1C(C)C 224641515 WWEKXDZJVAQFKC-UHFFFAOYSA-N 380.532 4.653 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C)ccc3C)cc2)cc1 225052224 QKUMZEQKUHJILF-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225577198 HQRIMQNTKVKWBP-UHFFFAOYSA-N 390.886 4.647 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(Cl)c1)CC(C)(C)O2 225681154 WEKYMAYEHQPPLM-MRXNPFEDSA-N 376.909 4.937 0 40 GJAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc12 225770132 PWMAZLGRQKOJCT-UHFFFAOYSA-N 375.468 4.925 0 40 GJAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C(F)(F)F 225775655 SGCHUIADEXDHJY-UHFFFAOYSA-N 397.368 4.540 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225801687 KCEIGSSOWPIIPC-YCRPNKLZSA-N 379.497 4.574 0 40 GJAB COc1ccc(SCCCNC(=S)Nc2cccc(OC(C)C)c2)cc1 225803695 GILXQWRGHLOOBI-UHFFFAOYSA-N 390.574 4.951 0 40 GJAB Cc1cc(N)cc(Br)c1NC(=O)COc1ccc(C(C)(C)C)cc1 227145141 UVQFKDBJFMJGOS-UHFFFAOYSA-N 391.309 4.655 0 40 GJAB COc1cccc(F)c1[C@H]1C[C@@](C)(NC(=O)C(C)C)[C@@H]2CC[C@@H](C)C[C@H]2O1 257229632 FYVLWGYUFDUDLH-VACFCZKPSA-N 377.500 4.631 0 40 GJAB O=C(c1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257236734 HDMXGUIYZQSPSP-LJQANCHMSA-N 381.863 4.681 0 40 GJAB CCOc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)ccc1O 408807949 PIFHRLPJHSKHFP-UHFFFAOYSA-N 389.884 4.516 0 40 GJAB CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1=O 409072400 NHOZJCDGFOMBEM-YBFXNURJSA-N 380.444 4.885 0 40 GJAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615153421 CUFYMEJTQPPHBZ-QHCPKHFHSA-N 399.510 4.909 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 946429 HXQRHSRTXZQRJF-HNNXBMFYSA-N 378.472 4.557 0 40 GJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cc(C(=O)O)ccc1C 953634 FPLQPIODWHCTHX-UHFFFAOYSA-N 378.428 4.779 0 40 GJAB Cc1cccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCC3)c(=O)[nH]c12 1378159 DSEGHXWXQIRZKH-UHFFFAOYSA-N 393.462 4.952 0 40 GJAB CCOC(=O)c1ccc(N2C(=O)[C@](Cl)(c3ccccc3)[C@@H]2c2ccco2)cc1 1589518 FWKHHZHUPJRWLK-UGKGYDQZSA-N 395.842 4.679 0 40 GJAB CCCSc1nnc(CSc2nc(C)cc(C)n2)n1CCc1ccccc1 2706257 MIPDSTSPUUPQAG-UHFFFAOYSA-N 399.589 4.722 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)NCCc1ccc(Cl)cc1Cl 3455921 KGPWVNQPVKBGMX-UHFFFAOYSA-N 375.255 4.929 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCc3nc4ccccc4c(=O)[nH]3)c2n1 3867082 IQARZCSELCQRKA-UHFFFAOYSA-N 386.238 4.666 0 40 GJAB Cc1ccc(C(=O)COC(=O)c2ccc(-c3cnc4ccccc4n3)cc2)cc1 4196509 DLMRNCROHOTWHF-UHFFFAOYSA-N 382.419 4.645 0 40 GJAB CSc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2N)cc1 4287567 QKCPHVBDWFJOQB-UHFFFAOYSA-N 392.553 4.750 0 40 GJAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccccc2)cc1 4928661 BULZSZQMNJCECY-QFIPXVFZSA-N 395.418 4.525 0 40 GJAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccccc1Oc1ccccc1 5308621 HESQCUSTSJVMHH-UHFFFAOYSA-N 393.464 4.825 0 40 GJAB Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccsc2)c(C)c1 5483388 JJEZGKOZTQKTFV-NRFANRHFSA-N 394.471 4.625 0 40 GJAB O=C(Nc1ccccc1NS(=O)(=O)c1cccs1)c1cc2ccccc2o1 6147273 DJFPBMZAWHOREB-UHFFFAOYSA-N 398.465 4.547 0 40 GJAB CCOc1ccc(CN(C)C(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC 6578737 VAIYSIRUZZRZER-UHFFFAOYSA-N 391.895 4.563 0 40 GJAB O=C(NCc1cccs1)c1cn(Cc2ccccc2)nc1-c1cccs1 8229607 SCSQQAQQRJQVOJ-UHFFFAOYSA-N 379.510 4.651 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 8904148 VVPJTMQKMSGLEQ-UHFFFAOYSA-N 396.512 4.611 0 40 GJAB CCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1 9708225 UJMRXTBJPRIPRO-OAQYLSRUSA-N 392.524 4.681 0 40 GJAB Cc1c(C(=O)CSc2nnc(C)n2Cc2ccccc2)oc2ccccc12 9872641 QUIVCJJSKBWNJT-UHFFFAOYSA-N 377.469 4.664 0 40 GJAB C[C@@H](NC(=O)CSc1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1 10603276 NHDJLXDJSGUYTI-MRXNPFEDSA-N 393.508 4.971 0 40 GJAB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc(Cl)c1Cl 10768599 QVWOUYBTXHAGBY-NSHDSACASA-N 392.286 4.781 0 40 GJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(C)c2)cc1 11116485 VFAXQWYIGCJSEP-NHCUHLMSSA-N 393.512 4.511 0 40 GJAB Cc1c(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)oc2ccc(F)cc12 11914659 HGISRHUGOYQUHA-UHFFFAOYSA-N 395.390 4.970 0 40 GJAB Cc1ccc(C(=O)CSc2nccn(-c3cccc4ccccc34)c2=O)cc1 12415282 NFGZZLODIPDLRY-UHFFFAOYSA-N 386.476 4.669 0 40 GJAB CCc1cccc(CC)c1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12914447 ICGKBJUMUOYFED-BUHFOSPRSA-N 390.527 4.702 0 40 GJAB COC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1CSC1CCCCC1 14675180 HVOLYJFTLLIPND-CYBMUJFWSA-N 376.474 4.717 0 40 GJAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1nc(Cl)ccc1Cl 14910506 KICIKMCBTAQWSH-UHFFFAOYSA-N 375.259 4.717 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc(C)c1Cl 17079021 LIBHBVFSKFGKSI-UHFFFAOYSA-N 386.923 4.960 0 40 GJAB COc1ccc2cc(CNc3cc(-c4ccccc4)ccc3OC)c(=O)[nH]c2c1 19563927 YXABUVUHQPTGDI-UHFFFAOYSA-N 386.451 4.824 0 40 GJAB COc1ccc(SCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 20043004 UREDIPOOAGNNCC-UHFFFAOYSA-N 386.698 4.842 0 40 GJAB O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1cccc(F)c1 22458319 VBINSBBJCNANPX-UHFFFAOYSA-N 389.386 4.707 0 40 GJAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 27664228 QZFYQXFPMXDGGJ-NRFANRHFSA-N 386.923 4.694 0 40 GJAB CCCCOc1cc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)ccc1Cl 27823957 COHWTMLIVRCYHE-UHFFFAOYSA-N 392.908 4.722 0 40 GJAB C[C@@H](NC(=O)CCCC(=O)c1cccs1)c1ccc(OC(F)(F)F)cc1 31951941 OAAZOEYXYYLRMM-GFCCVEGCSA-N 385.407 4.877 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2noc(-c3cccc(Cl)c3)n2)ccc1Cl 32623276 WTNYSPKUZUBQPB-LLVKDONJSA-N 392.242 4.758 0 40 GJAB COc1ccc(-c2noc(-c3cccc(NC(=O)c4ccccc4C)c3)n2)cc1 33012750 HLOOXBZWYBPZQN-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB CC(C)N(C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)C(C)C 33670974 YPWRDAGMXNKKBZ-UHFFFAOYSA-N 387.487 4.879 0 40 GJAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CCC(=O)c3cccs3)cn2)c1 36390625 UNMMFXDDWUJLCO-UHFFFAOYSA-N 394.496 4.832 0 40 GJAB CC[C@@H](CNC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)c1ccccc1 43950218 AVFNCHHXLOUXQL-AWEZNQCLSA-N 393.409 4.979 0 40 GJAB CCCn1cc(-c2nc(-c3ccc(SC)cc3)no2)c(=O)c2cc(F)ccc21 49001976 RZUOKCOOQYXCND-UHFFFAOYSA-N 395.459 4.990 0 40 GJAB CCc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 57313877 ZSCBMRODRJXUDE-JLHYYAGUSA-N 392.480 4.741 0 40 GJAB COc1ccc(NC(=O)c2ccc(CN(C)Cc3sccc3C)cc2)cc1 58169734 NKEFYOYEYCFIII-UHFFFAOYSA-N 380.513 4.949 0 40 GJAB Cc1ccc2oc(-c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3O)nc2c1 70462059 GFEGOLYYBDPRIB-UHFFFAOYSA-N 385.634 4.818 0 40 GJAB Cc1nn(C(C)C)c(C)c1NC(=O)NC[C@H](CC(C)C)N[C@@H](C)c1ccccc1 72277771 OIQZIBDZUKYRRS-UWJYYQICSA-N 399.583 4.968 0 40 GJAB Cc1ccc(C)c2c(C)c(C(=O)O[C@@H](C)C(=O)Nc3cccnc3Cl)oc12 84147924 DLIGAAGTTZUVBI-ZDUSSCGKSA-N 386.835 4.590 0 40 GJAB Clc1cc(CNc2cc(Cl)ccc2-n2cccn2)c2c(c1)COCO2 84615393 UHAIYCRBWUZBOT-UHFFFAOYSA-N 376.243 4.658 0 40 GJAB C[C@@](O)(CNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccc(F)cc1 89900560 SVJBGCQAPJHYIS-FYYLOGMGSA-N 395.499 4.683 0 40 GJAB CSc1ccc(Cl)c(C(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c1 102177382 IENGJFDRUYFLRF-XCLFUZPHSA-N 395.952 4.646 0 40 GJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118923122 JYBLPRVSUYUPPM-LZMGOZBSSA-N 385.592 4.878 0 40 GJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223075324 GXOZQZKVNIPNLV-DHIUTWEWSA-N 381.516 4.999 0 40 GJAB CCOc1ccc(-c2noc(CNC(=S)Nc3ccc(C(C)C)cc3)n2)cc1 225829770 WOHYNVNANSZRMQ-UHFFFAOYSA-N 396.516 4.745 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225842436 RBKJUZRWIHIAQG-QFIPXVFZSA-N 393.524 4.822 0 40 GJAB CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 409100097 PUUNEXKFKJZRTQ-CPNJWEJPSA-N 392.842 4.989 0 40 GJAB O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2ccncc2Cl)C1 575610266 GFTHBHMGCCEAJZ-LJQANCHMSA-N 392.886 4.547 0 40 GJAB Cc1cc(C)n([C@@H](CNC(=O)c2ccccc2C(F)(F)F)c2ccsc2)n1 575613516 IHNHCFLVTAUENQ-KRWDZBQOSA-N 393.434 4.600 0 40 GJAB Cc1[nH]nc(NC(=O)c2cnn(-c3ccc(F)cc3)c2)c1-c1ccc(Cl)cc1 1559027403 XHSBOGWZELCTJU-UHFFFAOYSA-N 395.825 4.616 0 40 GJAB COc1ccc(NC(=O)[C@H](C)Sc2ncnc3sc4c(c23)CCCC4)cc1 814829 YGMJAEZZWWSJJM-LBPRGKRZSA-N 399.541 4.698 0 40 GJAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cccc(Cl)c1Cl 869749 AVVAONANCOLHGR-UHFFFAOYSA-N 392.208 4.726 0 40 GJAB CCc1ccc(CN(Cc2ccco2)C(=O)c2cc3ccccc3oc2=O)cc1 1330102 CLUUAWZKHSAKJB-UHFFFAOYSA-N 387.435 4.791 0 40 GJAB O=C(NCc1ccc(Cl)cc1)c1csc(Cc2ccc(Cl)cc2)n1 1384048 QTSGZTBYJAXHTF-UHFFFAOYSA-N 377.296 4.971 0 40 GJAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C)c3C)sc2c1 1413786 CNDZXXAFKPBXNT-UHFFFAOYSA-N 399.541 4.992 0 40 GJAB O=C(c1ccc(F)cc1)c1cn(Cc2cccc(F)c2)c2ccccc2c1=O 2687686 LDHMJUOBNRTTJO-UHFFFAOYSA-N 375.374 4.559 0 40 GJAB Cc1ccc(C)c(NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1 2725346 QWMAFGFHALIIEW-QGZVFWFLSA-N 386.757 4.766 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)CSc2cccc3cccnc23)cc1 3075277 YMMAZFIFRWHLQC-UHFFFAOYSA-N 394.496 4.923 0 40 GJAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)c1 4039932 HZGKIKCZPCBRSK-REWPJTCUSA-N 378.472 4.524 0 40 GJAB biogenic CCOc1ncccc1C(=O)Nc1cccc(-c2nc3cccnc3s2)c1C 4063082 FHUVHFDZWRUJQB-UHFFFAOYSA-N 390.468 4.713 0 40 GJAB COC(=O)c1c(C)oc2ccc(OC(=O)c3c(C)oc4ccc(O)cc34)cc12 4387789 XDJFUAXGJFMHPN-UHFFFAOYSA-N 380.352 4.507 0 40 GJAB CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 4703028 FSZZURFIJRRMMN-LJQANCHMSA-N 394.515 4.810 0 40 GJAB Cc1ccc2nc(-c3ccc(SCC(=O)N[C@@H]4CCCC[C@H]4C)nc3)[nH]c2c1 4903429 JARGOQAFTIIGAY-NVXWUHKLSA-N 394.544 4.720 0 40 GJAB O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CC[C@@H](c3ccccc3)C[C@H]12 4914194 RCHDAULJZFKSGX-UTKZUKDTSA-N 393.914 4.957 0 40 GJAB Cc1sc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1C 4985799 LQZQJBZXYZUVPI-CQSZACIVSA-N 394.496 4.537 0 40 GJAB COc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(OC)c1 5879897 VWTAQOKZMUZBSA-UHFFFAOYSA-N 390.650 4.682 0 40 GJAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc1OC 5965914 KYSZDSNEUZWFLK-UHFFFAOYSA-N 386.498 4.558 0 40 GJAB CCOc1cc(Cl)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC 6958442 OPQSSGMBOYSFRW-MUKZLEBASA-N 396.940 4.836 0 40 GJAB CCc1nnc(S/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)O)o1 7365646 ACYSXJPJVOTDBH-GZTJUZNOSA-N 383.473 4.566 0 40 GJAB O=C(COc1cccc(Br)c1)Nc1ccc(-c2nccs2)cc1 7684111 HUVTUFKFEXXVQZ-UHFFFAOYSA-N 389.274 4.590 0 40 GJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2nc3c(s2)CCCC3)s1 7782423 RWMIIYPGNDSALD-UHFFFAOYSA-N 387.505 4.774 0 40 GJAB C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(Br)cc1 7918076 BOVRCGOOAXMBBR-LLVKDONJSA-N 378.295 4.754 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1ccc(OCc2csc(C)n2)cc1 7919120 RLHOTGLMEZZRPE-UHFFFAOYSA-N 388.876 4.945 0 40 GJAB CCc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)CC)cc2)CC1=O 7928789 FDLOOYTUASCYJX-GOSISDBHSA-N 379.500 4.895 0 40 GJAB CCN(C(=O)[C@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1)C1CCCCC1 8230582 DQUUQKKJXNRLBS-INIZCTEOSA-N 398.576 4.807 0 40 GJAB Cc1ccc(C)c(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(F)cc2)c1 8476713 CNYVVYPZEMTLDV-UHFFFAOYSA-N 392.478 4.753 0 40 GJAB Cc1ccccc1OCc1nn(CC(=O)Nc2ccccc2C(C)C)c(=S)o1 8571616 KFPCMJYMSPIKGQ-UHFFFAOYSA-N 397.500 4.855 0 40 GJAB COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c(OC)c1 8714175 ZWGHHHYGUPYFBP-UHFFFAOYSA-N 395.842 4.841 0 40 GJAB CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3)nn12 9252409 ANLLKZKPGVKEMH-UHFFFAOYSA-N 391.500 4.791 0 40 GJAB CN(C)[C@H](CNC(=O)Cc1cccc2ccccc12)c1c(F)cccc1Cl 12763872 YFOMQCAWXIHMFA-HXUWFJFHSA-N 384.882 4.594 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)NC(c3ccccc3)c3ccccc3)c12 14207423 HVQLCGBTEVDHLH-UHFFFAOYSA-N 383.451 4.928 0 40 GJAB CCc1ccc(-c2noc(CCC(=O)Nc3nc4ccc(F)cc4s3)n2)cc1 14236747 QCDRITSSTUNRPW-UHFFFAOYSA-N 396.447 4.619 0 40 GJAB Cc1ccc(OCCCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 14582646 XPHDWMWVVWQCHA-UHFFFAOYSA-N 399.541 4.937 0 40 GJAB CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14664049 VPOUUCPZIJLXBO-UHFFFAOYSA-N 380.488 4.789 0 40 GJAB COC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1CSC1CCCCC1 14675181 HVOLYJFTLLIPND-ZDUSSCGKSA-N 376.474 4.717 0 40 GJAB O=C(Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S)c1ccccc1 16769264 XUXIPJSBTGHAQO-UHFFFAOYSA-N 395.267 4.974 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 17135774 IASSBXZVTLYTRY-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 20140262 NMYJLZOTMBCMFK-UHFFFAOYSA-N 391.301 4.622 0 40 GJAB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1 20197102 SNJCDERUYIYHRU-UHFFFAOYSA-N 387.892 4.607 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2cc1OC 20452577 OMGRLAMBSGSULA-UHFFFAOYSA-N 376.456 4.631 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 20495678 HPKYFXBLDSKLCT-NRFANRHFSA-N 377.440 4.813 0 40 GJAB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(CC)cc4)c3)nn12 20609618 OWDDOMBQVOBRQL-UHFFFAOYSA-N 391.500 4.620 0 40 GJAB CC(C)c1c(C(=O)N[C@@H](C)CCc2ccco2)cnn1-c1cccc(Cl)c1 23109352 DYIDBYXKBWGWDH-HNNXBMFYSA-N 385.895 4.993 0 40 GJAB COc1cc(Cl)c(S(=O)(=O)Oc2cc(C)nc3ccccc23)cc1Cl 26919555 JCQVEYVLQKQTOR-UHFFFAOYSA-N 398.267 4.626 0 40 GJAB CCCOc1cc(C)c(C)cc1S(=O)(=O)n1cc(C)nc1-c1ccccc1 32603664 ZGQGSFFDGXGQNZ-UHFFFAOYSA-N 384.501 4.501 0 40 GJAB O=C(Oc1cccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1)c1ccco1 33913044 YULDGUMRTOEZQN-QGOAFFKASA-N 391.404 4.740 0 40 GJAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)c1 36365188 UMOHVQDHHWTODD-MRXNPFEDSA-N 383.835 4.667 0 40 GJAB O=C(Nc1cc(F)ccc1F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073420 PZLNMBIYGDVCHV-MRXNPFEDSA-N 399.224 4.515 0 40 GJAB Cc1ccc2c(Nc3ccc(F)c(F)c3)c(C(=O)N3CCCCCC3)cnc2n1 49004739 UDQDQOHTISREOG-UHFFFAOYSA-N 396.441 4.976 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 56340693 BTEZKZUPJGOZHG-UHFFFAOYSA-N 390.936 4.694 0 40 GJAB Cc1ccc2c(CC(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)coc2c1C 59017496 SZEPBAMNQBMVEJ-UHFFFAOYSA-N 382.485 4.842 0 40 GJAB Cc1ccc2c(CNc3ccccc3C(=O)NC(C)(C)C)cc(=O)oc2c1C 63468613 LVVWKDTVCYYMNL-UHFFFAOYSA-N 378.472 4.550 0 40 GJAB Cc1cc(OCC(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)ccc1Cl 65892158 OOZWYPKLKBBEIX-LJQANCHMSA-N 399.878 4.591 0 40 GJAB Cc1cc(SCC(=O)Nc2ccc(F)cc2F)nc(-c2ccc(F)cc2)n1 67257170 ZBUDKXGGMMIKDO-UHFFFAOYSA-N 389.402 4.600 0 40 GJAB Cc1ccc(C)c(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1 67293220 SABKGQNOSZLDBJ-BZZOAKBMSA-N 385.423 4.635 0 40 GJAB O=C(N1CCc2[nH]c3ccccc3c2C1)C1(c2cccc(Br)c2)CC1 72271216 UMWHOSLRUXKPTH-UHFFFAOYSA-N 395.300 4.547 0 40 GJAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(F)(F)F 72312863 ZEBOOJAABBJKHQ-UHFFFAOYSA-N 383.313 4.666 0 40 GJAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353859 JKVXZYSUWZWNJO-FQEVSTJZSA-N 389.474 4.535 0 40 GJAB O=C(c1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359335 DOPXDURRTPZYFA-GOSISDBHSA-N 377.875 4.817 0 40 GJAB Cc1cc(C)n(-c2ccc(NC(=O)N[C@@H]3CCSc4ccccc43)cc2F)n1 84105062 OFJSTIABXGNHQK-GOSISDBHSA-N 396.491 4.987 0 40 GJAB Cn1c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc2ccccc21 84313909 ZLNFQFLBOQTVGE-UHFFFAOYSA-N 393.830 4.929 0 40 GJAB Cc1ncc(Cl)c(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)n1 92093272 KFAMLHIQTICHHL-SWLSCSKDSA-N 383.801 4.523 0 40 GJAB CC1(C)C[C@@H](NC(=O)C[C@@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)CCO1 95478221 JXRMNOPSHXLVAJ-AVRDEDQJSA-N 393.955 4.631 0 40 GJAB CC(C)CCC[C@H](C)NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 101700591 KZRHTEGJCHXUCF-SLFFLAALSA-N 397.563 4.534 0 40 GJAB COCCOc1ccc(N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1F 123586558 DYAYFVOEICVKJO-LBPRGKRZSA-N 391.830 4.727 0 40 GJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c1OC 197184838 DRMWSOVOERZZOW-AQJGMREQSA-N 379.456 4.699 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 222974313 OAWDGOBUENNMHS-LEWJYISDSA-N 376.529 4.645 0 40 GJAB Oc1cccnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCCCC1 223997238 AMDHFLHNNAXRKY-UHFFFAOYSA-N 375.925 4.629 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)NCC(C)C 224876824 LPOBXGPVJKKCIE-QGZVFWFLSA-N 387.351 4.673 0 40 GJAB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1 224915532 XCAOBZMKTGYIDO-UHFFFAOYSA-N 385.460 4.620 0 40 GJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccccc1 224924498 LHCJTARISPJJSH-YVUGPFRESA-N 388.467 4.626 0 40 GJAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(C)C)c1)c1ccc(OC)c(C)c1 225441858 HZZDBKYPKVVJQI-IBGZPJMESA-N 391.533 4.565 0 40 GJAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225545357 SVCYFPSMOMOJBG-UHFFFAOYSA-N 398.522 4.997 0 40 GJAB CCOc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 225687327 PFYKMRYIULKZQM-SFHVURJKSA-N 386.517 4.683 0 40 GJAB CCn1ccc(C(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)n1 257270016 MSLGYOAICDAHOL-JOCHJYFZSA-N 392.478 4.780 0 40 GJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)S2)cc1 408786050 KLFVXGCEYILZBO-WLJFKGHSSA-N 377.513 4.649 0 40 GJAB O=C1CC[C@@H](c2cccc(NC(=O)N3CC=C(c4cccc(Cl)c4)CC3)c2)N1 557156459 LGUSELVOBARMKL-FQEVSTJZSA-N 395.890 4.612 0 40 GJAB CCn1c(CN2CC[C@@](C)(CCc3ccccc3)C2)nc2cc(C(=O)O)ccc21 566979349 TUQCLLIZJSKWHQ-XMMPIXPASA-N 391.515 4.599 0 40 GJAB O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(C(F)(F)F)c(F)c1 1636099898 LMYQLWXMGQMOLI-UHFFFAOYSA-N 394.393 4.941 0 40 GJAB Oc1ccc(CN(Cc2cc(O)cc(C(F)(F)F)c2)Cc2ccco2)cc1 1657453018 FDQAZUIARCWNSA-UHFFFAOYSA-N 377.362 4.912 0 40 GJAB O=C(NCCc1ccc(C2CCCCC2)cc1)N1CCC([C@@H]2CCCO2)CC1 1674357575 BVYDWKXTTYWVLE-QHCPKHFHSA-N 384.564 4.877 0 40 GJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1OC 849038 IOKJCTLLTFMVMY-UHFFFAOYSA-N 392.386 4.903 0 40 GJAB CCOC(=O)c1cnc2c(CC)cccc2c1NC1CC(C)(C)NC(C)(C)C1 955155 IJUDGADOBGJEOA-UHFFFAOYSA-N 383.536 4.695 0 40 GJAB CC(C)OC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2229266 XCDZBZKTTUWLOG-UHFFFAOYSA-N 398.825 4.514 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C3=O 2417542 DGTOKPKTMQLTRU-HXUWFJFHSA-N 389.382 4.579 0 40 GJAB O=C(CSc1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21 3221830 FDKNYMUZHFAYAD-QGZVFWFLSA-N 376.319 4.735 0 40 GJAB Cc1cc(C)c2c(N)c(C(=O)N3CCC(Cc4ccccc4)CC3)sc2n1 3230603 RTDCFKCOGLOVAL-UHFFFAOYSA-N 379.529 4.590 0 40 GJAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 3231219 RVWRXDXXOXHTEZ-CYBMUJFWSA-N 390.270 4.894 0 40 GJAB O=C(COC(=O)c1c(Cl)cccc1Cl)c1ccccc1Br 3255885 ZVPDATHKFKYUOY-UHFFFAOYSA-N 388.044 4.796 0 40 GJAB Cc1cc(C)n2c(Br)c(CSc3nc4ccccc4o3)nc2n1 4004179 UQDCURYGCLBBAC-UHFFFAOYSA-N 389.278 4.542 0 40 GJAB O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 4087695 DCIFQERLPUBGON-UHFFFAOYSA-N 382.247 4.832 0 40 GJAB Oc1nc(Nc2ccc(C(F)(F)F)cc2)nnc1Cc1ccc(Cl)cc1 4225138 CYASTQXCMBNIIP-UHFFFAOYSA-N 380.757 4.584 0 40 GJAB COc1ccc(Cc2nn3c(-c4ccc(C(C)(C)C)cc4)nnc3s2)cc1 4664897 YZBMYSYNYMHTRP-UHFFFAOYSA-N 378.501 4.750 0 40 GJAB COc1cc2[nH]c(=S)nc(NCCc3ccc(Cl)cc3)c2cc1OC 4918865 LVAJKBLYWSBCHB-UHFFFAOYSA-N 375.881 4.618 0 40 GJAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)n1C1CCCCC1 4925252 GIRCVRKKJCPUIE-JTQLQIEISA-N 398.454 4.628 0 40 GJAB Cc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)cc(F)c32)cc1 4936998 MCJPTOQMUAKHOK-UHFFFAOYSA-N 389.401 4.867 0 40 GJAB CC(C)C(=O)N1CCCc2cc(NC(=O)Cc3cccc4ccccc34)ccc21 5099479 YYMFVSSYMBETIY-UHFFFAOYSA-N 386.495 4.956 0 40 GJAB Nn1c(SCc2ccc(-c3ccccc3)cc2)nnc1-c1ccc(F)cc1 6785866 SCYKWCJWJOIYFO-UHFFFAOYSA-N 376.460 4.757 0 40 GJAB COc1ccc(/C=C(\c2nc(C)cs2)c2nc3ccccc3n2C)cc1O 7136377 GBZYZQNVVRTZFB-GDNBJRDFSA-N 377.469 4.641 0 40 GJAB CCOc1ccc(C(C)=O)cc1COC(=O)/C=C/c1nc2ccccc2s1 7432648 JXRILMLMXGOTKC-ZHACJKMWSA-N 381.453 4.654 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](Oc1cccc(C(C)=O)c1)c1ccccc1 7436223 WFYVTGYPSKHNBL-QHCPKHFHSA-N 389.451 4.965 0 40 GJAB COc1ccc(CNC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 7502223 XMCOJCBIUQYSSP-UHFFFAOYSA-N 388.496 4.725 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1C 7609974 BIUNBWFRSZTINZ-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB COc1ccc(CNC(=O)c2ccccc2CSc2nc(C)cs2)cc1 7969295 OTTAUSFCBANGRO-UHFFFAOYSA-N 384.526 4.682 0 40 GJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCCc1c[nH]c2ccccc12 7988279 DMDLOWCYUYUNIV-UHFFFAOYSA-N 392.459 4.572 0 40 GJAB COc1ccc2c(C)cc(SCc3nc4cc(Cl)ccc4c(=O)[nH]3)nc2c1 8409925 WGPZPBKCXFQMIK-UHFFFAOYSA-N 397.887 4.734 0 40 GJAB Cc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)c(F)c1 8783528 NROVQEZSKQGEJB-UHFFFAOYSA-N 378.432 4.640 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\Nc2ccccc2)cc1 9553539 YOYHZMAYUZIRPY-RWEWTDSWSA-N 385.423 4.627 0 40 GJAB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc(Cl)c1Cl 10768606 QVWOUYBTXHAGBY-LLVKDONJSA-N 392.286 4.781 0 40 GJAB CCCn1c(C)cc(-c2csc(NC(=O)Cc3noc4ccccc34)n2)c1C 10942036 BZOWQKQIIOUGOT-UHFFFAOYSA-N 394.500 4.961 0 40 GJAB COc1ccc(OCc2cc(C(=O)N[C@@H]3CCCc4ccccc43)c(C)o2)cc1 12766354 VYCXFDGKQMPQFA-HSZRJFAPSA-N 391.467 4.983 0 40 GJAB Cc1nn(C)c(C)c1NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 12781716 IKOAYWSMFJISCI-CCEZHUSRSA-N 397.482 4.542 0 40 GJAB CCOCc1c(C(=O)N2CCC(c3ccc(O)cc3)CC2)oc2ccccc12 13023530 KUPXJHBORSSWGB-UHFFFAOYSA-N 379.456 4.695 0 40 GJAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(N2CCOCC2)cc1 14401091 JIKFGASHEBAWFF-UHFFFAOYSA-N 385.678 4.736 0 40 GJAB CN(Cc1ccc(Br)cc1)Cc1nc(-c2ccc(Cl)cc2)no1 14670826 AUMIZNNUFKWVCM-UHFFFAOYSA-N 392.684 4.785 0 40 GJAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccccc1C(F)(F)F 16716907 OZGGGZSGYOIPHP-LLVKDONJSA-N 379.407 4.711 0 40 GJAB O=Cc1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccc(Br)cc12 17080035 WMEHQWWUALZFKW-UHFFFAOYSA-N 391.652 4.508 0 40 GJAB Clc1cc(CN[C@H]2CN3CCC2CC3)cc(Cl)c1OCc1ccccc1 20477474 ZSIQMZORZSPEAG-FQEVSTJZSA-N 391.342 4.756 0 40 GJAB CC[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(OC)cc1 21385754 MLQQUFWDKSPISS-LJQANCHMSA-N 382.435 4.689 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 24392923 UAEDVEXBBNEAPB-QFIPXVFZSA-N 392.499 4.801 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-n2cccn2)cc1 24570706 JRBNWTATTOOCFW-LBPRGKRZSA-N 376.243 4.585 0 40 GJAB COc1ccc(C(=O)CSc2n[nH]c(/C=C/c3ccc(C)o3)n2)cc1Cl 31802547 DZCBFCLQSZYVHV-SOFGYWHQSA-N 389.864 4.514 0 40 GJAB CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1ccccc1 36617034 LFGZYIXYOUDQJA-NRFANRHFSA-N 384.483 4.999 0 40 GJAB O=C(O)c1cc(-c2ccc(OC(F)F)cc2)nc2onc(-c3ccccc3)c12 36617502 RKQHSYBTRNFWOP-UHFFFAOYSA-N 382.322 4.856 0 40 GJAB COc1ccc(-c2csc(NC(=O)Nc3c(F)cccc3F)n2)cc1OC 36709310 HSUABXFBGIHSDQ-UHFFFAOYSA-N 391.399 4.750 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)N1CCc2nc(-c3ccccc3F)sc2C1 36752115 BNLSVMCXLVQNSW-UHFFFAOYSA-N 391.471 4.558 0 40 GJAB Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Br)c(N)c1 40301828 OORGQOBWYMUUKE-UHFFFAOYSA-N 398.098 4.663 0 40 GJAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc3nc(C)c(C)nc3c2)c1C 57996766 OCBCPWNKJBNPRJ-UHFFFAOYSA-N 376.456 4.732 0 40 GJAB CC(C)Cn1ccc2cc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)ccc21 58026668 GGTFZKNPCKRAOF-CQSZACIVSA-N 393.512 4.982 0 40 GJAB O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc(-c2nnco2)cc1 58291448 RVYAPNDKIFTPOT-UHFFFAOYSA-N 379.803 4.561 0 40 GJAB C[C@@H](OCC1CC1)C(=O)Oc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 64681985 KFDKFLINZARWPF-MRXNPFEDSA-N 395.499 4.957 0 40 GJAB Cc1noc(C)c1CN1CCC2(CC1)C[C@@H]2c1nc(-c2cccc(Cl)c2)no1 69668413 XFJBIBASDCIVBC-GOSISDBHSA-N 398.894 4.765 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1 72329023 LZSRTSWUHQCTRT-INIZCTEOSA-N 393.487 4.755 0 40 GJAB O=C(Nc1cccnc1Cl)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 78954349 CUQJLRBPWUPZJZ-UHFFFAOYSA-N 398.938 4.788 0 40 GJAB COc1cccnc1NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1 95961188 RALUXNSYLMJJKE-UHFFFAOYSA-N 390.226 4.837 0 40 GJAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CC3)CC2)on1 100743875 GCNAYSRTAMOEGB-IYBDPMFKSA-N 396.535 4.538 0 40 GJAB CC(C)c1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4cccnc4)C3=C(O)C2)cc1 102402292 YFDKDMBEMLIUAD-AVRDEDQJSA-N 385.471 4.862 0 40 GJAB O=C(c1ccc(Cl)s1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207016323 LSVDDILIZJCVIT-NSHDSACASA-N 393.921 4.608 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCc1cccc2ccccc12 222680671 KMVJQZLSONUKPH-UHFFFAOYSA-N 391.496 4.933 0 40 GJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3Cc3ccco3)N21 222686636 XPLXNRRUGMZVHA-CWFSZBLJSA-N 378.501 4.504 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 222992480 CXVBOVYPARAFMY-HXUWFJFHSA-N 385.504 4.573 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 223000694 FIQVETFWGAMXIK-LEWJYISDSA-N 397.515 4.888 0 40 GJAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C 223380013 IBTMIBYGPWLORS-FGZHOGPDSA-N 390.556 4.693 0 40 GJAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1C 223450084 KGJTVKXFCSLCEL-INIZCTEOSA-N 390.321 4.939 0 40 GJAB Cc1ccc(CNC(=S)Nc2ccc(N3CCCc4ccccc43)nc2)o1 223907377 PSDXVCAUOMHLNP-UHFFFAOYSA-N 378.501 4.554 0 40 GJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)c1 224539066 GTEHCSPKFQTMRD-LEWJYISDSA-N 392.528 4.650 0 40 GJAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(C)C)c1)c1ccc(OC)c(C)c1 225441819 HZZDBKYPKVVJQI-LJQANCHMSA-N 391.533 4.565 0 40 GJAB CCC(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(=O)NC(C)C)CC1 257215965 CSLXIIZPIMHIJE-UHFFFAOYSA-N 398.572 4.501 0 40 GJAB O=C(c1nccc2ccccc12)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257255775 KIUPBYYSLCARGN-HXUWFJFHSA-N 397.478 4.833 0 40 GJAB Cc1noc(C)c1-c1cc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)ccn1 257261955 LJKYQZSGJORYIY-CMDGGOBGSA-N 387.483 4.773 0 40 GJAB CCN(CC)c1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(C)=O)cc1 257263924 LSBBCAJSXCDZCB-KAQSZFGASA-N 384.564 4.551 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(C)cc2Br)cc1 408597116 WGECZQNOBVAHCF-UHFFFAOYSA-N 377.307 4.501 0 40 GJAB O=C(Cc1ccccc1)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 408621416 MEILVSNKFUXVDO-UHFFFAOYSA-N 378.859 4.702 0 40 GJAB Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1C 408623228 SCXPAOOBSDOFTD-UHFFFAOYSA-N 392.421 4.940 0 40 GJAB CC1(C)CCc2ccccc2[C@H](NC(=O)NCc2cnc(O)c3ccccc23)C1 1251127495 GIJGZJMEKQZPKD-OAQYLSRUSA-N 389.499 4.843 0 40 GJAB CCn1cc([C@@H](C)NC(=O)c2ccc(COc3ccccc3Cl)cc2)c(C)n1 654081 HFVGJCLSQSNCSV-OAHLLOKOSA-N 397.906 4.935 0 40 GJAB COC(=O)c1c(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCC2 677540 UHQSIQGEHJXZEZ-ZANVPECISA-N 388.316 4.553 0 40 GJAB COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccccc1Cl 866283 WFZFXFHYEKENNP-UHFFFAOYSA-N 389.904 4.729 0 40 GJAB COc1ccc(OC)c(C(=O)c2sc3nc4ccc(C)cc4cc3c2N)c1 907313 VQXVWGGQXGIMOH-UHFFFAOYSA-N 378.453 4.588 0 40 GJAB Cc1ccc(-c2csc3nnc(SCC(=O)Nc4ccc(F)cc4)n23)cc1 937504 FKHBSCWQLRAWQN-UHFFFAOYSA-N 398.488 4.636 0 40 GJAB COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CNC2CCCCC2)cc1 938479 QOXASPJYNWOQJX-NRFANRHFSA-N 378.516 4.600 0 40 GJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(Cl)c1C 949591 JLXJGYAJPNMRHF-UHFFFAOYSA-N 398.846 4.904 0 40 GJAB FC(F)(F)C(F)(F)c1nnc2c3ccccc3c(NCc3ccccc3)nn12 1088381 WPAMAISOTNNNGL-UHFFFAOYSA-N 393.319 4.544 0 40 GJAB CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)C4CCC4)n3)ccc21 1238077 HQWMVPTXSWVKQH-UHFFFAOYSA-N 397.544 4.874 0 40 GJAB O=C(O[C@@H](C(=O)NCc1cccs1)c1ccc(Cl)cc1)c1cccs1 1381230 CIYYQGLSRBZRNF-MRXNPFEDSA-N 391.901 4.678 0 40 GJAB CCCCC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2530035 VRTIPYGJYHPEKN-INIZCTEOSA-N 381.472 4.949 0 40 GJAB COC(=O)c1sccc1NC(=O)c1ccc(COc2ccccc2Cl)o1 2760859 VHTQZGXBPRWXOR-UHFFFAOYSA-N 391.832 4.612 0 40 GJAB COc1cccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)c1 2972245 UXUHJQYFEYQKIM-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB COc1ccc(CN(C)c2nc(C)nc3sc4c(c23)CC[C@H](C)C4)c(OC)c1 3383900 VRVKLCYEVLRNPD-ZDUSSCGKSA-N 397.544 4.778 0 40 GJAB Cc1cc(C(=O)Cn2c([C@@H](C)O)nc3ccccc32)c(C)n1Cc1cccs1 3415787 DOVPWUBXTAPPRL-MRXNPFEDSA-N 393.512 4.501 0 40 GJAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1cccc(F)c1 3430988 BPXICXWFCJIDOF-LFIBNONCSA-N 387.457 4.671 0 40 GJAB C[C@@H](OC(=O)Cc1c(Cl)cccc1Cl)C(=O)Nc1cccc(Cl)c1 3449892 UFLIGCROJFGPQS-SNVBAGLBSA-N 386.662 4.760 0 40 GJAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccccc3)c2c1 4193567 VPPFSWQDWQYIMN-UHFFFAOYSA-N 390.464 4.820 0 40 GJAB COc1cc2c(cc1NC(=S)NC(=O)c1ccccc1F)oc1ccccc12 4624077 IIGLIVIUBMHKRZ-UHFFFAOYSA-N 394.427 4.861 0 40 GJAB Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C3CC3)c3ncnn32)cc1 4732721 AHHJBNSSTGPYAZ-PMACEKPBSA-N 392.890 4.717 0 40 GJAB COC(=O)C1(NC(=O)Nc2cc3c(cc2OC)oc2ccccc23)CCCCC1 4995056 VJFNHPUFXUFRHK-UHFFFAOYSA-N 396.443 4.592 0 40 GJAB CCc1ccc(NC(=O)CSCC(=O)Nc2cccc(Cl)c2C)cc1 5464255 HXPWYSYFIJRENG-UHFFFAOYSA-N 376.909 4.521 0 40 GJAB CCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2cc(OC)ccc2OC)n1 5891834 UBQNUZRKAXYEEZ-UHFFFAOYSA-N 389.455 4.540 0 40 GJAB biogenic O=C(Nc1ccccc1)c1ccc(CSc2nnc3n2CCCCC3)cc1 6097192 PJPPCGSBNZCWOR-UHFFFAOYSA-N 378.501 4.549 0 40 GJAB O=C(CSc1ccc(Br)cc1)Nc1ccc(OC(F)F)cc1 6328969 LQLQPCQQFKHOLN-UHFFFAOYSA-N 388.233 4.781 0 40 GJAB Cc1ccc2c(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)coc2c1C 6804265 MWVDVZUMNUSYOG-UHFFFAOYSA-N 382.891 4.594 0 40 GJAB c1ccc(CN2CCC(Nc3nc(-c4cccnc4)nc4ccccc34)CC2)cc1 6840494 FPSNRFFFQDOELT-UHFFFAOYSA-N 395.510 4.768 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 6879197 TUMOWAMSQAHPAL-LDADJPATSA-N 398.440 4.620 0 40 GJAB Cc1nc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)sc1C 7685572 JZCDMZFHXNKPMN-UHFFFAOYSA-N 382.514 4.780 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)c1 8055077 UNDCOBOHCJQZOQ-CYBMUJFWSA-N 384.545 4.509 0 40 GJAB C[C@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccc(F)cc1F 8095070 DHLNLOCIVPTRLT-LBPRGKRZSA-N 376.403 4.803 0 40 GJAB Cc1ccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c(C)c1 8103481 KJXJWJDGOSFWCV-QGZVFWFLSA-N 380.513 4.698 0 40 GJAB Cc1nnc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)n1C1CCCCC1 8208863 XZRGBSCMCQQTCF-AWEZNQCLSA-N 398.532 4.807 0 40 GJAB COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1C 8276361 DIFIFNTYGBVMTL-CXUHLZMHSA-N 389.860 4.907 0 40 GJAB O=C(COc1cccc2cccnc12)NCc1ccc(-c2ccc(Cl)cc2)o1 8279615 VYJLFFJNLZYUMN-UHFFFAOYSA-N 392.842 4.843 0 40 GJAB Cc1cc(SCC(=O)N[C@@H]2CCSc3ccccc32)nc2ccccc12 8342336 LKHRTXONWSBVTO-GOSISDBHSA-N 380.538 4.989 0 40 GJAB CCCOc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 8869562 BVHFTKYLNSFFKD-NRFANRHFSA-N 387.907 4.950 0 40 GJAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccc(F)cc1F 9136345 MEWBCTXBQFOYEO-UHFFFAOYSA-N 392.405 4.697 0 40 GJAB Cc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2)cc1 9428455 SAGQZWOPUWHVIL-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB COc1ccc(OC)c(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)c1 9454920 PYKXESJRWFSELB-UHFFFAOYSA-N 396.440 4.881 0 40 GJAB O=C(Nc1ccc2ccccc2c1)c1cc2c(cc1Br)OCCO2 9668232 KXYFVJWXJHUYRG-UHFFFAOYSA-N 384.229 4.626 0 40 GJAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc2ccccc2c1 10023905 ULXLWJXCKSIHHY-UHFFFAOYSA-N 375.424 4.603 0 40 GJAB COc1ccc([C@H]2CC(=O)c3c(C)nn(-c4ccc(Cl)cc4)c3C2)cc1OC 10338884 YXVZNLJSVUXVTF-OAHLLOKOSA-N 396.874 4.764 0 40 GJAB Cn1/c(=N\C(=O)c2ccccc2Br)sc2c3ccccc3ccc21 11852831 HRLYIUCPDSEAJL-XUTLUUPISA-N 397.297 4.897 0 40 GJAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccc(F)c1 12023013 PEHUQOYBFMQDES-UHFFFAOYSA-N 385.442 4.668 0 40 GJAB O=C(NCC1CCCCC1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134173 UGSFYUYXUPWRIJ-UHFFFAOYSA-N 392.543 4.784 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2cncn2-c2ccccc2)cc1 12548315 AMEQJTJNLVJDIW-UHFFFAOYSA-N 396.494 4.672 0 40 GJAB CC(C)(C)c1ccc(NC(=O)c2ccccc2SCC(=O)NC2CC2)cc1 12734836 FCJGPRJRMKOMAJ-UHFFFAOYSA-N 382.529 4.607 0 40 GJAB COc1cc(CCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc(OC)c1 12756115 WHMRNWSMOVTHIV-XMMPIXPASA-N 389.495 4.737 0 40 GJAB COc1cc(OC)c(NC(=O)Cc2csc(-c3ccsc3)n2)cc1Cl 12766700 CUAUGFBHHNUZKQ-UHFFFAOYSA-N 394.905 4.723 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)Cc3c(F)cccc3Cl)s2)cs1 12791577 ALZFFRKHONGTDK-UHFFFAOYSA-N 394.924 4.874 0 40 GJAB C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1cccc(Cl)c1 13049342 HYUWSJQXPFBMBN-AWEZNQCLSA-N 397.862 4.746 0 40 GJAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 14849311 LJEIAZLVWISXGT-LBPRGKRZSA-N 396.796 4.889 0 40 GJAB O=C(CCc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 17178768 JUFLBWCGAKVIRI-UHFFFAOYSA-N 384.479 4.851 0 40 GJAB CCCC(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19501333 YZRQACZCRHZVBB-FQEVSTJZSA-N 387.487 4.746 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 20242066 SDNWNLIXPOKKAI-OAQYLSRUSA-N 398.550 4.996 0 40 GJAB Cc1ccc2c(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)cccc2n1 21595359 HYHFWFNLFWXZFK-UHFFFAOYSA-N 393.512 4.705 0 40 GJAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)cn1 21669890 DLWHHJGJQJEIMF-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB Cc1nc(NC[C@@H](CO)Cc2ccco2)c2c(-c3cccs3)csc2n1 24206163 SZGPIZLATSKWLS-ZDUSSCGKSA-N 385.514 4.584 0 40 GJAB CCc1ccccc1NC(=O)CCC(=O)c1cc(Br)ccc1OC 30998572 TWCTUCKTXYDMKZ-UHFFFAOYSA-N 390.277 4.622 0 40 GJAB CNc1snc(C)c1C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 32903688 KWTJDSKNNATOOI-HNNXBMFYSA-N 396.541 4.598 0 40 GJAB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S 35040485 KRQVMJNOXWWBAJ-OVCLIPMQSA-N 389.885 4.752 0 40 GJAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)c1OC(C)C 36353031 LVONHAQQHXFGDR-QGZVFWFLSA-N 377.444 4.792 0 40 GJAB CCn1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)c3c(C)noc3n2)n1 36617965 FSCWUEGSQTYNDS-UHFFFAOYSA-N 395.850 4.629 0 40 GJAB CCOc1ccc2ccccc2c1C(=O)N1CCC(c2nnc(C3CC3)o2)CC1 38518708 BKWKZFAHPILEQI-UHFFFAOYSA-N 391.471 4.519 0 40 GJAB COc1ccc2cc(CNc3ccc(C(=O)N4CCCC4)cc3)c(Cl)nc2c1 42666618 WMQGEHMUHQLPLB-UHFFFAOYSA-N 395.890 4.745 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 47081081 DNNGYMWPODRPGQ-UHFFFAOYSA-N 390.936 4.694 0 40 GJAB CC(C)(C)[C@@H](NC(=O)Nc1ccc(CN2CCOC2=O)cc1)c1cccs1 48234860 WBIICGIPGYHLCF-KRWDZBQOSA-N 387.505 4.609 0 40 GJAB Cc1ccc(C2=NN(C(=O)CNc3cc(F)cc(F)c3)[C@@H](c3ccco3)C2)cc1 57748477 MBCWKOVIHAMSJN-HXUWFJFHSA-N 395.409 4.656 0 40 GJAB Cc1nc(NC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)oc1C 65776550 YPFBCBHTDBYCBV-UHFFFAOYSA-N 390.237 4.636 0 40 GJAB CCC(CC)(CC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)O 65975825 KZCVOLIROGNKQE-UHFFFAOYSA-N 390.867 4.534 0 40 GJAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccn2)cc1C 67259347 FHGQUKRPLWGCFH-UHFFFAOYSA-N 387.508 4.749 0 40 GJAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2cccc(OC(F)F)c2)C1 72404548 BLFMTCDBLVKGPO-AWEZNQCLSA-N 375.400 4.718 0 40 GJAB CO[C@H](C)c1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)c1 79110630 XROFCGQMCBLDGT-XGRCMKMKSA-N 390.487 4.641 0 40 GJAB Cc1ccc(CC(=O)N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cn1 84191195 FWAXPTPARJYOIK-UHFFFAOYSA-N 375.299 4.945 0 40 GJAB O=C(C[C@@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21)NCC1CC1 96052661 SJWQMZRRPZXUMB-LJQANCHMSA-N 394.584 4.686 0 40 GJAB Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=S)Nc1ccccc1 100426860 NZXSARBWFRXSLY-WOJBJXKFSA-N 393.556 4.507 0 40 GJAB Cn1/c(=N\C(=O)c2ccccc2OCc2ccc(F)cc2)sc2ccccc21 104992769 XXXKCWSFRIUSSO-ZNTNEXAZSA-N 392.455 4.699 0 40 GJAB O=S(=O)(c1cccc2ccccc12)N1CCS[C@@H](c2ccccc2)CC1 208045046 MKDUZWFFWPSTFV-HXUWFJFHSA-N 383.538 4.709 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1cccc(OC)c1 224585949 SSQOCEUTYNTDSX-UHFFFAOYSA-N 377.440 4.925 0 40 GJAB CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Br)cc1 224729535 HFBZFKNNOLXMHG-UHFFFAOYSA-N 395.105 4.581 0 40 GJAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccc(Cl)cc1Cl 225722964 OQANWIYLIAQWKF-UHFFFAOYSA-N 381.646 4.600 0 40 GJAB Cc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3c[nH]c4ccccc34)C2)n1 257320992 VZQKIPKYPXYBCQ-GOSISDBHSA-N 386.499 4.899 0 40 GJAB O=C(Nc1cccc(F)c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 408697890 MHTVYSFXTSUZPV-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB COCCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 409144382 FOURNZAHKNFUNP-ZROIWOOFSA-N 398.267 4.936 0 40 GJAB COc1ccc(-c2cnc(CN(Cc3ccc(F)cc3)C3CCOCC3)o2)cc1 585082946 ZCGYZSJZHXOVLN-UHFFFAOYSA-N 396.462 4.671 0 40 GJAB O=C(NC[C@H](c1ccco1)c1cccs1)c1ccccc1Br 585146740 KFMDVJDDRCEPIC-CYBMUJFWSA-N 376.275 4.666 0 40 GJAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCCCn1cccc1 604418878 QYVCAJNUKMDOAV-NRFANRHFSA-N 379.504 4.732 0 40 GJAB O=C(c1ccc(Br)cc1)N(C1=NCCCCS1)c1ccccc1 820954 VGNIVPHTJXGSNY-UHFFFAOYSA-N 389.318 4.979 0 40 GJAB O=C(Nc1ccc(I)cc1)c1ccc(Cl)c(Cl)c1 842506 WBJHDJYWOVXHKY-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)NC1CCCCC1 1381402 JUZZOARHSCVGOT-UHFFFAOYSA-N 397.519 4.765 0 40 GJAB Cc1cc(-c2noc(COc3ccccc3Br)n2)c2ccccc2n1 1426591 DEHKGMIKEBZHCE-UHFFFAOYSA-N 396.244 4.935 0 40 GJAB CC(C)COC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2253101 ZAQJJOITXPEMHU-UHFFFAOYSA-N 394.862 4.622 0 40 GJAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(C(C)(C)C)cc1 3292930 FLHHCWSDADLGAH-IBGZPJMESA-N 388.458 4.655 0 40 GJAB Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1-c1cc(Cl)cc(Cl)c1 4625892 ZBQXXSFKUGAPPJ-UHFFFAOYSA-N 388.283 4.920 0 40 GJAB Cc1ccc(C(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)cc1 4953232 QJPYPBHIQXNFQK-UHFFFAOYSA-N 376.481 4.814 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(Cl)cc2)CSC3)cc1 5077757 XPGFOMRXQMKMBX-UHFFFAOYSA-N 383.904 4.762 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n2)cc1 5180227 MQEFZYIAFANWHL-KGLIPLIRSA-N 398.507 4.531 0 40 GJAB COc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccncc2)cc1 5363918 WVFPCZXORXDLBL-UHFFFAOYSA-N 392.459 4.769 0 40 GJAB O=S(=O)(c1ccccc1)N(SC(Cl)(Cl)Cl)c1ccccc1 5933770 CAXJFBOSFXRPOJ-UHFFFAOYSA-N 382.721 4.858 0 40 GJAB COc1ccc(Br)cc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 6324849 OOFRQXUIGMENGU-NGOKJDCPSA-N 397.338 4.547 0 40 GJAB COc1ccc(C(C)=O)cc1CSc1nnc(C2CC2)n1Cc1ccccc1 6531951 RYOAPRVUEDGVMS-UHFFFAOYSA-N 393.512 4.707 0 40 GJAB Cc1cccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c1 7654855 WHBXGUBBMDPTCZ-UHFFFAOYSA-N 377.824 4.798 0 40 GJAB Cc1nc(Sc2nnc(NC3CC3)s2)c2c3c(sc2n1)C[C@@H](C)CC3 8704819 YETIBEHNACSVGW-QMMMGPOBSA-N 389.575 4.702 0 40 GJAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cccc(Cl)c1 9320856 BREBTKGEDCUXJL-UHFFFAOYSA-N 395.889 4.532 0 40 GJAB COc1cccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@H](c3ccco3)C2)c1 9781669 LFZANZUVPJMDSR-IBGZPJMESA-N 380.831 4.933 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1C 10443769 ZFHVVITWIKTNPL-INIZCTEOSA-N 383.488 4.875 0 40 GJAB O=C(COc1ccc(Cl)cc1Br)N[C@@H](c1ccccc1)C1CC1 11212233 BSMDSTDQGHKSLB-SFHVURJKSA-N 394.696 4.749 0 40 GJAB Cc1ccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)cs3)c2C)cc1C 12415593 CRUOTKJXXQXSSR-UHFFFAOYSA-N 390.468 4.712 0 40 GJAB Cc1ccccc1Nc1nc(N)nc(CN[C@H](C)c2cccc3ccccc23)n1 12552766 FFHFFAMXLHKBFU-MRXNPFEDSA-N 384.487 4.510 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(Cl)c(Cl)c2)N1C[C@H]1CCCO1 12595532 NBHVJJCMPKDAMC-ACJLOTCBSA-N 377.271 4.739 0 40 GJAB C[C@@H](N[C@H]1CCc2ccccc21)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12805429 HNRILSPMUAAIBQ-WBMJQRKESA-N 377.469 4.583 0 40 GJAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1Cl 13708614 NWBXIOQGXZXTKS-CYBMUJFWSA-N 383.831 4.686 0 40 GJAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccccc1 14118932 YEGODRGVWZUTJA-UHFFFAOYSA-N 381.497 4.998 0 40 GJAB CCC[C@@H](C(=O)Nc1cc2c(cc1Br)OCCO2)c1ccccc1 16008723 GMLUPULKGOQUHT-CQSZACIVSA-N 390.277 4.743 0 40 GJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCC)c1 16806368 OGZGKUMOWFVUQQ-HXUWFJFHSA-N 377.440 4.537 0 40 GJAB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)s1 21988264 FWKLAIAXXQEGDY-UHFFFAOYSA-N 379.276 4.582 0 40 GJAB CCN(C(=O)c1cnc(SC)n1-c1ccccc1)c1nc2ccccc2s1 23042174 LFFKNHADXUQPBL-UHFFFAOYSA-N 394.525 4.871 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)NCCc2ccc(C(C)C)cc2)cc1OC 30867695 LFRXJAWFXNMDDZ-INIZCTEOSA-N 387.545 4.667 0 40 GJAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1 32594074 BNBHFZNDGLIWCJ-UHFFFAOYSA-N 377.444 4.657 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 32744568 KAZNOLULNKDQGS-UHFFFAOYSA-N 397.327 4.844 0 40 GJAB CC[C@H]1CCc2sc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2C1 32967227 YNNKVBHIFRNEHZ-WMZOPIPTSA-N 386.561 4.813 0 40 GJAB Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3cccc(Cl)c3)[nH]c2c1 33064078 OJEOWHDJVWBZJD-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB Cc1cc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccc1N1CCCC1=O 34797450 UOKJHQZQACXNNY-LDQXTDLNSA-N 386.536 4.538 0 40 GJAB CCOc1ccc2c(c1)c(C(=O)N1CCC[C@H]1c1cccc(OC)c1)c(C)n2C 35316970 KYRGDSRYVXXTTH-NRFANRHFSA-N 392.499 4.871 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCc2ccc(C)c(Cl)c2)c1 36626080 FCMCZJWVXLNEEF-FQEVSTJZSA-N 387.907 4.962 0 40 GJAB C[C@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1Cl 41127303 FSLQPVNDGYFCOG-QMMMGPOBSA-N 395.522 4.880 0 40 GJAB COc1ccccc1CN(CCCn1ccnc1)Cc1cccc2ncccc12 43277805 PBQPPFUOHBIUFB-UHFFFAOYSA-N 386.499 4.532 0 40 GJAB COc1ccc([C@H]2C[C@@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1OC 44859703 NILVFPRZURDMRP-RBUKOAKNSA-N 378.476 4.565 0 40 GJAB CCOc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3ccc[nH]3)s2)cc1 48264236 CTUXLSGXLBIYAS-SFHVURJKSA-N 381.501 4.823 0 40 GJAB O=C(/C=C/c1ccccc1Cl)N1CCC(c2nnc(-c3ccco3)s2)CC1 49362987 GEAQPDUTNGHMTB-BQYQJAHWSA-N 399.903 4.871 0 40 GJAB FC(F)(F)c1cccc(N2CCN(Cc3cc(-c4cccs4)on3)CC2)c1 57978272 QQSMONWUAHVATJ-UHFFFAOYSA-N 393.434 4.744 0 40 GJAB CCOc1ccc(O[C@H](C)c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1 71890692 BVPOJCLSSFZGCL-GFCCVEGCSA-N 392.415 4.689 0 40 GJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)[C@H]3C[C@H]3C)cc2N1 72341404 OYPLQCHMGHNCQG-NJNCZSALSA-N 398.473 4.536 0 40 GJAB Cc1ncsc1C(=O)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72349854 RDMGMTAIPFRSJO-UHFFFAOYSA-N 395.503 4.596 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C)cn2)C12CCCC2 79479902 FUDVRPJCORBFFH-LAUBAEHRSA-N 391.515 4.679 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3cnn(C4CCOCC4)c3C)sc2C)cc1 95980810 NHLKHIRLMCJNNR-UHFFFAOYSA-N 396.516 4.536 0 40 GJAB CCCOC(C(=O)O[C@@H]1CC[C@@H]2CC[C@@H]1N2C)(c1ccccc1)c1ccccc1 100798831 HKGIWDBWRYKYTC-RJGXRXQPSA-N 393.527 4.525 0 40 GJAB Cn1c(=O)c(C2=Nc3ccccc3N[C@H](c3ccco3)C2)c(O)c2ccccc21 104827602 FLLYTOJUHLUQCZ-KRWDZBQOSA-N 385.423 4.515 0 40 GJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1C[C@H](C)C[C@@H](C)C1 106028026 GFISXTLQLXURPB-UPJWGTAASA-N 397.466 4.634 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1cccc(C)c1 216439349 FDYDYDBCJVTDBB-IBGZPJMESA-N 377.937 4.855 0 40 GJAB O=C(NCc1cccc2ccccc12)[C@H]1CCCN(Cc2ccc(F)cc2)C1 222889994 PWBCFIGQVZPCNV-NRFANRHFSA-N 376.475 4.507 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2cccc(OC)c2)c2ccccc2O1 223994583 YUXNFXWIBOCBTE-OXJNMPFZSA-N 383.488 4.661 0 40 GJAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(C)cc1 224464275 RAAMVBCFSNQTDH-UHFFFAOYSA-N 375.468 4.903 0 40 GJAB CCC1(CC)C[C@H](NC(=O)c2ccc(Cn3ccnc3)cc2)c2ccccc2O1 225275547 UEOHTGDXMITCQT-NRFANRHFSA-N 389.499 4.744 0 40 GJAB COc1ccc(CCC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 225316230 VNPYGQBBXWWZOI-UHFFFAOYSA-N 393.458 4.662 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225326884 ILYVVNSNVVEEFK-UHFFFAOYSA-N 393.314 4.951 0 40 GJAB COC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)c(Cl)c1 226334582 LAUAOKACUDVOTJ-SOFGYWHQSA-N 381.653 4.868 0 40 GJAB CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC)cc3)nn2)cc1 408527503 FVVIZOYUJCENOR-UHFFFAOYSA-N 378.428 4.550 0 40 GJAB COc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c2ccccc12 408802030 YDBAEVYSVWHDGI-UHFFFAOYSA-N 379.436 4.750 0 40 GJAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc3cccnc3c2)cc1 585091829 WECXECKCNXVMCL-UHFFFAOYSA-N 396.446 4.776 0 40 GJAB CC(C)c1c(-c2ccccc2)[nH]c2cccc(I)c2c1=O 685938701 RZXOMLMAHIXZNQ-UHFFFAOYSA-N 389.236 4.923 0 40 GJAB COC1(CC(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)CCC1 2055739141 MJVKFMAQQHLDRF-UHFFFAOYSA-N 390.527 4.658 0 40 GJAB Cc1cccc(Cn2c([C@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)c1 703868 XHNUHXFFHLIKJY-FQEVSTJZSA-N 381.479 4.914 0 40 GJAB Brc1ccc(-c2nnc(-c3ccccc3)c(N3CCCC3)n2)cc1 721168 UQVQZLHIWSPIGD-UHFFFAOYSA-N 381.277 4.568 0 40 GJAB COc1ccc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 956098 RVNSCGQMUFBSAI-UHFFFAOYSA-N 399.487 4.746 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3ccccc3)cc2c1 1359264 WEVOFSUZECJALO-UHFFFAOYSA-N 396.490 4.722 0 40 GJAB CCN(CC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)ccc12 1671671 OVNXSTVJRQJZGD-QFIPXVFZSA-N 384.907 4.939 0 40 GJAB O=C(COC(=O)c1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl 1973123 MNNGAXBSDVLZIT-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1c1ccc(Cl)cn1 2393044 MGRCMDBUIUCWIE-LJQANCHMSA-N 388.810 4.591 0 40 GJAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)N1CCCc2ccccc21 3244192 KYDLXOWYSIUHQK-UHFFFAOYSA-N 397.902 4.674 0 40 GJAB C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3278561 KGCMWXNQCXPFCF-MRVPVSSYSA-N 388.634 4.536 0 40 GJAB CCCc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)n(C)n1 4745486 QAEMVNUVHNRNMM-UHFFFAOYSA-N 396.878 4.531 0 40 GJAB CCc1nnc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2CC)s1 4849481 LIUCIOWXRFNYDU-UHFFFAOYSA-N 386.546 4.559 0 40 GJAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 5054446 CXEYNKDPUJDOHJ-HXUWFJFHSA-N 381.479 4.914 0 40 GJAB Cc1ccccc1NC(=O)[C@]1(c2ccsc2)CC(=O)N1c1ccc(Cl)cc1 5451728 MLELEVQAAVWFJA-OAQYLSRUSA-N 396.899 4.981 0 40 GJAB O=C(/C=C/c1ccc(Br)cc1)Nc1c(F)c(F)c(F)c(F)c1F 5671576 TZRNJHVVBVBFMH-ZZXKWVIFSA-N 392.121 4.797 0 40 GJAB C[C@@H]1CCc2sc3ncnc(N4CCN(c5ccccc5Cl)CC4)c3c2C1 6571137 VDWBPRGMNHBOBV-CQSZACIVSA-N 398.963 4.796 0 40 GJAB COc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4cccs4)o3)o2)cc1 6842897 GQGINSJEJCCFKD-JTQLQIEISA-N 386.458 4.710 0 40 GJAB Cc1occc1C(=O)OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1 6852662 RLWGMUAYTJCHOD-IBGZPJMESA-N 393.464 4.625 0 40 GJAB Clc1cccc(-c2noc(CSc3nnc(Cc4ccccc4)o3)n2)c1 7111980 CCEIFHDWZNMTOZ-UHFFFAOYSA-N 384.848 4.656 0 40 GJAB CC(=O)c1cc(F)ccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 7781794 SGWSHDSABYXASN-UHFFFAOYSA-N 391.442 4.636 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1Cl 8218542 CBHTYIOSICBVPM-NSHDSACASA-N 397.689 4.947 0 40 GJAB CCn1c(SCC(=O)N(C)Cc2ccc(Cl)s2)nc2ccccc21 8424730 DQZYKTFVYUNDIJ-UHFFFAOYSA-N 379.938 4.522 0 40 GJAB O=C(CCSc1ccc(Cl)cc1)NCc1ccc(CN2CCCC2)cc1 8430075 TXHATYUKHHRCAU-UHFFFAOYSA-N 388.964 4.734 0 40 GJAB C[C@@H](SC(=S)N1CCCC1)c1nc(-c2cccc(C(F)(F)F)c2)no1 9316819 HGJLRQOKDREJGM-SNVBAGLBSA-N 387.452 4.930 0 40 GJAB C[C@@H](NC(=O)CSCCOc1ccccc1)c1ccc(Cl)c(Cl)c1 9594966 BLKYCZGEFWPBQS-CYBMUJFWSA-N 384.328 4.983 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1C 10500136 JHWPBPROTYYPPU-UHFFFAOYSA-N 393.512 4.516 0 40 GJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2ccc(OC(F)F)cc2)c1 11513394 HQFXAFFNUJTKEU-UHFFFAOYSA-N 392.402 4.565 0 40 GJAB COc1ccc(CN(Cc2ccco2)C(=O)COc2c(C)cccc2C)cc1 11915019 MDMRRASINIWXCI-UHFFFAOYSA-N 379.456 4.513 0 40 GJAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC[C@@H](C(F)(F)F)C1 12521815 RTHKQRPACYVNPV-OAHLLOKOSA-N 385.389 4.711 0 40 GJAB O=C(NCc1ccc(OC(F)F)cc1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12623701 NJKFVDUTPQJNAR-GOOCMWNKSA-N 399.528 4.517 0 40 GJAB Cc1cccc(O[C@@H](C)c2nnc(NC(=O)c3cc(C(C)C)on3)s2)c1C 19235697 XLXGGAUSSNYEMN-ZDUSSCGKSA-N 386.477 4.659 0 40 GJAB CCOc1ccccc1CNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 20046884 VXPLYXMJRRPJTM-HAVVHWLPSA-N 387.479 4.951 0 40 GJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1sc2cccc(F)c2c1C 24594846 GXALNQPIBFRWPW-UHFFFAOYSA-N 384.476 4.676 0 40 GJAB C/C=C/c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccco2)c(OC)c1 24973033 SAKJKYBJSXJJSU-FPYGCLRLSA-N 391.467 4.929 0 40 GJAB Cc1nc(COc2ccc3ccccc3c2)sc1C(=O)NCc1ccco1 27912559 GFNLRYPROHLDOE-UHFFFAOYSA-N 378.453 4.707 0 40 GJAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3cccs3)N(C)C)sc2c1 28287530 SPOSQEQLYRVFSV-ZDUSSCGKSA-N 378.950 4.957 0 40 GJAB Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1C 28534633 KFBBJCPQUBIICC-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NC4CCCC4)c(C)c3cc2c1C 30819250 OIVPQWJZZKNHPM-UHFFFAOYSA-N 381.472 4.764 0 40 GJAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1sc2ccccc2c1C 31174968 IIACAOQMLYNMBD-UHFFFAOYSA-N 388.439 4.589 0 40 GJAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1Cl 32101646 NVFHJHJFLXTVLY-INIZCTEOSA-N 398.825 4.823 0 40 GJAB CCOc1cc(C(=O)N[C@H](C)c2ccccc2C)ccc1OCc1cccnc1 32795095 SUKUKJGLCRQOPT-GOSISDBHSA-N 390.483 4.859 0 40 GJAB O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1nc2ccccc2s1 36629966 URFLUTIHTCILLP-UHFFFAOYSA-N 397.268 4.967 0 40 GJAB Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccc(F)cc2)cc1 44087078 IHSPTBCTYWEWLY-UHFFFAOYSA-N 395.503 4.701 0 40 GJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 44849280 SCBJPRPYRLBEHY-QGZVFWFLSA-N 382.504 4.546 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 44880673 KOURETDRFVPVGA-CQSZACIVSA-N 385.920 4.631 0 40 GJAB COc1cc(OC)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1Cl 57412380 SZYYKANWICFFOQ-UHFFFAOYSA-N 392.242 4.653 0 40 GJAB Cc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c(C)n1CC(F)(F)F 58823010 MUSMYEHGQYXJOO-UHFFFAOYSA-N 380.197 4.809 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1C 59227360 AKGHIEPEQMIWRM-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB Cc1cccc(-c2noc(-c3nn(-c4ccccc4C)c(=O)c4ccccc34)n2)c1 64950177 RENWVLFDBSSOJH-UHFFFAOYSA-N 394.434 4.720 0 40 GJAB CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccc(CC)cc3)nc2C)no1 65403195 NWLMMGHRMJKEKJ-UHFFFAOYSA-N 398.532 4.682 0 40 GJAB O=C(Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1)NC1CCCCCC1 71798655 OATKKCBSSYAMJH-UHFFFAOYSA-N 383.467 4.600 0 40 GJAB Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72219275 ZDLCLYWUTALQHP-NRFANRHFSA-N 379.504 4.854 0 40 GJAB CCc1ccc(OCc2nnc(SCCCC(C)=O)n2CC(C)C)cc1 83823769 IYJAXJSNNHUJHO-UHFFFAOYSA-N 375.538 4.537 0 40 GJAB CCOc1cccc(CNCc2cccc(C(F)(F)F)c2)c1OC(F)F 98078525 RVFQVHSXMYWIMQ-UHFFFAOYSA-N 375.337 4.995 0 40 GJAB C[C@@H]1[C@@H](NC(=S)Nc2nn(Cc3ccccc3)cc2Cl)CCC[C@H]1C 102618952 MHDYQMDKCNWRDR-KEYYUXOJSA-N 376.957 4.696 0 40 GJAB Cc1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 205662449 QKMNYOBKUVAQDC-UBKPWBPPSA-N 387.844 4.614 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)[nH]2)c1 216027321 BOXCQNYHLAUFSX-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB COc1cc(CNC(=O)[C@H](C)Oc2cccc3ccccc23)ccc1OC(C)C 219037834 MNNQWKQEMNYOGK-KRWDZBQOSA-N 393.483 4.719 0 40 GJAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)CCc1ccccc1F 222872334 LACZAAIEUWXUEB-UHFFFAOYSA-N 395.478 4.764 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccccc2F)CC1 222916059 VVHJEMMUCPOLDM-QFIPXVFZSA-N 398.522 4.629 0 40 GJAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)NC(c4ccccc4)c4ccccc4)cn1c23 223096871 CSEGFAXILHOBTL-QGZVFWFLSA-N 394.474 4.638 0 40 GJAB Cc1cc(NC(=S)NC2(c3cccs3)CCCC2)ccc1N1CCCC1=O 225869736 DMGBXVVVAHSLKU-UHFFFAOYSA-N 399.585 4.939 0 40 GJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C4=CC[C@H](C5=CC(=O)OC5)[C@]4(C)CC[C@H]32)C1 256546262 CKFRUFAILBIDGU-XKGWRZPPSA-N 398.543 4.980 0 40 GJAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 408803065 KWZPYZYHRNCPBB-UHFFFAOYSA-N 380.276 4.770 0 40 GJAB CCOc1ccc(-c2nc(Nc3ccc(OC)cc3)sc2CC(=O)O)cc1 408878682 BHTZYECFFPWUOP-UHFFFAOYSA-N 384.457 4.588 0 40 GJAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O 409013010 SFSUMDHYTFWTCP-IGCGCMMHSA-N 390.686 4.643 0 40 GJAB CCc1nc2ccccc2n1Cc1noc([C@H]2C[C@H]2c2c(F)cccc2F)n1 545888596 RTQLLKDYXHIWGF-OLZOCXBDSA-N 380.398 4.579 0 40 GJAB CNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(F)c3ccccc23)cc1Cl 578392017 IUBLUJVQKGZTCW-GFCCVEGCSA-N 399.853 4.875 0 40 GJAB COc1ccccc1CN1CC[C@@H](c2c(C(=O)N(C)C)sc3ccccc23)C1 585169363 MVNMAYVOOWZVBN-QGZVFWFLSA-N 394.540 4.601 0 40 GJAB CCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(CCc2ccccc2)n1 585266032 ZRPWMWJZAAXYTL-UHFFFAOYSA-N 377.440 4.639 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4F)c(N)c3cc2C1 661896 TXAOPKKJWXVUPK-JTQLQIEISA-N 387.455 4.924 0 40 GJAB O=C(O[C@H](c1ccc2c(c1)OCO2)c1nccc2ccccc12)c1ccccc1 712519 RPLKMVYEFYBCHZ-HSZRJFAPSA-N 383.403 4.910 0 40 GJAB COc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3)C3CCCC3)cc2c1 880386 ZYYOKNDJKWGCOF-UHFFFAOYSA-N 391.471 4.513 0 40 GJAB COc1ccc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)cc1OC 1342998 ZGRGLDKPGWLRNW-UHFFFAOYSA-N 397.500 4.501 0 40 GJAB CCn1c(SCC(=O)n2c(C)c(C)c3ccccc32)nnc1-c1ccco1 1368478 VZVJKBVCESNBSY-UHFFFAOYSA-N 380.473 4.562 0 40 GJAB CCCc1nc(SCC(=O)N(C(C)C)C(C)C)c2c(C)c(C)sc2n1 1372198 KACDPFTZNUEXIC-UHFFFAOYSA-N 379.595 4.998 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc(-c3cccs3)on2)sc(C)c1C 2497914 KTVHTNVQGATMJZ-UHFFFAOYSA-N 376.459 4.510 0 40 GJAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccc(F)c(F)c1F 3317100 CXZBNGWDINCOIA-UHFFFAOYSA-N 399.777 4.768 0 40 GJAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1sc2ccccc2c1Cl 3340705 DRUDQFKBWPRHJI-LLVKDONJSA-N 389.860 4.747 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 3359843 FPTIIUCWZHOVCY-JOCHJYFZSA-N 376.456 4.678 0 40 GJAB Cn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccc(Cl)cc1 3385120 WYEBAFWRLWJAQR-UHFFFAOYSA-N 384.313 4.825 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccccc1)c1ccccc1 3395791 HKDKBACBPRKIHS-OAQYLSRUSA-N 375.424 4.622 0 40 GJAB Cc1cc2oc(=O)c(CC(=O)NC(C)C)c(C)c2c2occ(-c3ccccc3)c12 4089498 PMSBZNDYYCNHQJ-UHFFFAOYSA-N 389.451 4.890 0 40 GJAB biogenic CC(C)Oc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 4375378 FZKMDXISJYFOQC-UHFFFAOYSA-N 384.476 4.709 0 40 GJAB Cc1cc2nc(N(CCCN(C)C)C(=O)c3ccc(F)cc3)sc2cc1C 4586168 OKZVPJPQBPBZAB-UHFFFAOYSA-N 385.508 4.651 0 40 GJAB COc1ccc(-c2csc3nc(SCc4ccccc4)[nH]c(=O)c23)cc1 4649950 HDMGOOVWKPQABI-UHFFFAOYSA-N 380.494 4.953 0 40 GJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@@H]1c1ccc(C)cc1 4816586 IAXGXIUYDAXKDR-WOJBJXKFSA-N 378.451 4.593 0 40 GJAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccc(Br)cc2)cc1 4928750 ZDIWZWDJULRZHV-SFHVURJKSA-N 382.261 4.539 0 40 GJAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl 5100288 CFSHSZBJCCTXPY-MZNJEOGPSA-N 388.231 4.690 0 40 GJAB COc1ccc(-c2nc(C(=O)NCc3ccco3)cc3c2[nH]c2ccccc23)cc1 5908214 XEFRRPJGIWCERP-UHFFFAOYSA-N 397.434 4.915 0 40 GJAB biogenic O=C(CSc1nc2ccccc2n1-c1ccccc1)NCC1CCCCC1 6517112 HPCYHGADLQCAGZ-UHFFFAOYSA-N 379.529 4.814 0 40 GJAB CCCC(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2OC)ccc1Cl 6764301 RZCMULOFUYATJT-UHFFFAOYSA-N 381.259 4.993 0 40 GJAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2Cl)s1 6830880 ABJGZYCVWQFKJR-UHFFFAOYSA-N 390.921 4.974 0 40 GJAB Cc1cc(C)c(NC(=O)COC(=O)COc2ccc3ccccc3c2)c(Cl)c1 7007694 ZQUQZRYKITVGGE-UHFFFAOYSA-N 397.858 4.671 0 40 GJAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 7881833 RIMNYVCWRFIFLS-GOSISDBHSA-N 386.451 4.779 0 40 GJAB C[C@@H](Sc1nnc(NCc2ccco2)s1)c1nnc(-c2cccs2)o1 8328657 JYOOHIZHVMCSLF-SECBINFHSA-N 391.503 4.708 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1C 8719412 JMPPQMSYCPRMAT-QGZVFWFLSA-N 393.556 4.895 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1cc(-c2ccccc2)on1 11905279 VXTXYAHRRBHYNA-IBGZPJMESA-N 395.528 4.750 0 40 GJAB CCc1c(C)sc2nc(SCCOC)n(-c3cc(C)ccc3C)c(=O)c12 12738682 BSJQWLOWTRNEFZ-UHFFFAOYSA-N 388.558 4.673 0 40 GJAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(Cl)c(Cl)c1 12744533 GORZOJPJZQMLCF-SECBINFHSA-N 383.300 4.894 0 40 GJAB COc1ccc([C@@H](NC(=O)Cc2csc(-c3cccs3)n2)C(C)C)cc1 12891791 KBJBFYQHIWTNBJ-IBGZPJMESA-N 386.542 4.936 0 40 GJAB CC(=O)Nc1ccc(-c2nc(CC(=O)Nc3cccc(C)c3)sc2C)cc1 12927654 MXQKPGJAGHHFJT-UHFFFAOYSA-N 379.485 4.567 0 40 GJAB COc1ccc2c(C)c(CCC(=O)Nc3c(C)cc(C)cc3C)c(=O)oc2c1 12975576 UIBSBKDSKZKFIA-UHFFFAOYSA-N 379.456 4.607 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 12998053 VMNVSSAWAYRNDA-HNNXBMFYSA-N 380.492 4.635 0 40 GJAB COc1cc2cc(CNc3cc(C(C)C)c(OC)cc3C)c(=O)[nH]c2cc1OC 13561336 ZJDGXSCOVDFLHZ-UHFFFAOYSA-N 396.487 4.598 0 40 GJAB C[C@@H](NC(=O)CSc1nc(CCC2CCCC2)n[nH]1)c1cc2ccccc2o1 14084379 XEABQTSFKQCADN-CQSZACIVSA-N 398.532 4.643 0 40 GJAB O=C(Nc1cccc2ccccc12)c1ccc(Cn2nnc3ccccc32)cc1 15602958 QUBSNPPSBUEXFG-UHFFFAOYSA-N 378.435 4.885 0 40 GJAB CC(=O)Nc1ccc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 17302437 CCIPQNRHRZTUOX-UHFFFAOYSA-N 383.451 4.905 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)c1 17370455 PDOOKEPWJKQMTD-KRWDZBQOSA-N 375.468 4.713 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 20484963 IICWYXZAZAYFAY-GOSISDBHSA-N 375.852 4.540 0 40 GJAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 20610009 IVVGQXQFBGVHCC-UHFFFAOYSA-N 386.455 4.805 0 40 GJAB Cc1ccc2c(c1)C(=O)[C@]1(OC(=O)c3ccccc3)CCN(c3ccccc3)C1=N2 22052456 ICIURMLAMQGRRU-RUZDIDTESA-N 396.446 4.727 0 40 GJAB in-vitro O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(Cl)cc1 23076400 XLLFTIPJXQKZGF-UHFFFAOYSA-N 397.702 4.905 0 40 GJAB O=C(CSc1nccn1-c1ccccc1)c1ccc(Br)s1 26127769 RSRYWKDHLUSSDQ-UHFFFAOYSA-N 379.304 4.671 0 40 GJAB CCc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)NC1CCCCC1 28047762 RUXOSUZRUHZFRV-UHFFFAOYSA-N 395.551 4.616 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 29112509 OFYSXSXTCBDHIM-XMMPIXPASA-N 389.470 4.948 0 40 GJAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1 30848226 WJGJIAZCHFMQGA-LJQANCHMSA-N 381.925 4.555 0 40 GJAB C[C@@H](NC(=O)CCSc1nc2ccccc2s1)c1ccc(F)cc1F 32768621 UQMNDEWEIZIWKP-LLVKDONJSA-N 378.469 4.934 0 40 GJAB CCc1cccc(NC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)c1 33172502 CETZPOAVZJVAQE-UHFFFAOYSA-N 376.485 4.713 0 40 GJAB CN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2)CC1 33544217 XBQMMUOBIUKHDL-UHFFFAOYSA-N 395.890 4.604 0 40 GJAB CCOc1ccc(NC(=O)c2sc3ncn(C4CCCC4)c(=O)c3c2C)cc1 35672952 AWMLPBATUDELSJ-UHFFFAOYSA-N 397.500 4.533 0 40 GJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(CSC(F)F)o1 36391350 IQVWWNVMXKOMGG-UHFFFAOYSA-N 380.416 4.645 0 40 GJAB CCCCOc1ccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1 45889352 UDGQDKHSBFGQFO-UHFFFAOYSA-N 384.505 4.630 0 40 GJAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(SCc2cccnc2)cc1 47189278 TWHCPDGOMUETSK-UWJYYQICSA-N 384.545 4.699 0 40 GJAB Cc1ccc2c(Nc3ccc(C)c(F)c3)c(C(=O)N3CCCCC3)cnc2n1 49004663 HRZWMLVLJFJFKF-UHFFFAOYSA-N 378.451 4.755 0 40 GJAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2[nH]c(C(F)F)nc2c1 58294777 PKFYVDDGAPWQPQ-UHFFFAOYSA-N 396.353 4.598 0 40 GJAB Cc1ccc(-c2cc3c(N4CCN(c5ccccc5C)CC4)nccn3n2)c(C)c1 67285167 PZRRPESFDFANBF-UHFFFAOYSA-N 397.526 4.648 0 40 GJAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccccc3C)oc12 67295593 PTUHKUDQJAPPMJ-LCUIJRPUSA-N 399.450 4.938 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc(-c2ccccc2Cl)on1 84525072 GWUHAOLKRHZVGT-NRFANRHFSA-N 389.842 4.909 0 40 GJAB Cc1c(Cl)cccc1S(=O)(=O)N(Cc1ccoc1)Cc1cccs1 90612205 RIARMVZRBRUUDC-UHFFFAOYSA-N 381.906 4.694 0 40 GJAB Cc1cc(C)c(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)c(Cl)c1 216787591 SFKZPYUOUAWZHC-UHFFFAOYSA-N 396.299 4.820 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(O)cc3)N21 222708116 HVNHJGGOJWWVHH-GQWLDOHISA-N 390.512 4.557 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)CSCc2ccccc2F)c1 222708378 JFUDYWKUJVCUAK-UHFFFAOYSA-N 375.509 4.595 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222734884 DJRQQEMJUMBCHY-OXJNMPFZSA-N 397.515 4.790 0 40 GJAB COc1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2)cc1C 222761435 FHWDUADOTXKBRJ-UHFFFAOYSA-N 377.937 4.639 0 40 GJAB COc1cc(C)c(S(=O)(=O)NCc2ccc3ccccc3c2)cc1C(C)C 222820463 BEXWLCSMDAGMFK-UHFFFAOYSA-N 383.513 4.759 0 40 GJAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2CC)cc1 224351640 CYHVLTQQXVPTDM-RTWAWAEBSA-N 376.529 4.643 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)cc3C)o2)c(OC)c1 224866418 KJYJBOZVCMFBOW-UHFFFAOYSA-N 380.444 4.547 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 225549273 QQNRGNYQTRHLHU-REWPJTCUSA-N 394.559 4.568 0 40 GJAB O=S(=O)(c1cccc2ccccc12)N1CCc2cc(-c3ccncc3)ccc21 225640106 IFGFZNCGAZYXMJ-UHFFFAOYSA-N 386.476 4.653 0 40 GJAB Cc1noc(C)c1-c1cc(C2CCN(C(=O)c3ccc(F)cc3)CC2)ccn1 257220917 DMTCVALHBDFODB-UHFFFAOYSA-N 379.435 4.512 0 40 GJAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CN(C(=O)C3CCCCC3)CCO2)n1 257289930 QAVRHSVURWHWAV-HSZRJFAPSA-N 396.506 4.600 0 40 GJAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCc1ccc(-c2ccoc2)cc1 390830440 LDLGXDOKQUJLOB-UHFFFAOYSA-N 395.402 4.585 0 40 GJAB CC(C)CC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 408627699 NDJDBNGKMLXHKA-UHFFFAOYSA-N 395.484 4.544 0 40 GJAB O=C(O)[C@H](c1cccc(Cl)c1)N1CCC(c2nc3c(s2)CCCC3)CC1 566360885 BLTFJWXYYXWVKU-SFHVURJKSA-N 390.936 4.681 0 40 GJAB O=C1CC[C@]2(CCCN(Cc3cc(F)ccc3F)CC2)N1CC1CCCCC1 585100258 JCFCJNOBRPGOLM-QHCPKHFHSA-N 390.518 4.892 0 40 GJAB CO[C@H](c1nc(-c2ccc(Oc3ccc(F)c(F)c3)cc2)no1)[C@@H]1CCOC1 1548453524 MBLVAZNAXOFIJW-ACJLOTCBSA-N 388.370 4.531 0 40 GJAB Cc1cc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)ccc1F 1615130775 ZSXKRTIQLGFZOD-HSZRJFAPSA-N 384.470 4.937 0 40 GJAB Nc1c(C(=O)NCc2ccccc2Cl)sc2nc(-c3ccncc3)ccc12 803877 BNPUFXGQTHZSCK-UHFFFAOYSA-N 394.887 4.524 0 40 GJAB CCOc1cccc2cc(-c3nnc(Nc4ccc(C)cc4)s3)c(=O)oc12 856297 FFFPOKGZIVFNFC-UHFFFAOYSA-N 379.441 4.762 0 40 GJAB O=C(CSc1nc2ccccc2n1Cc1ccccc1F)NC1CCCCC1 1381401 ZHWQPCWAOLDQIR-UHFFFAOYSA-N 397.519 4.765 0 40 GJAB C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)N(C)c1ccccc1 2652601 FOHRFJIPXAZQJU-CYBMUJFWSA-N 383.542 4.714 0 40 GJAB Fc1cccc(-c2nnn3c2nc(NCCc2ccccc2)c2ccccc23)c1 2699238 NFSWGDPJURDMSY-UHFFFAOYSA-N 383.430 4.738 0 40 GJAB COc1ccc([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc1OC 3120631 KBIQDQBZGQWGFS-DNQXCXABSA-N 390.435 4.606 0 40 GJAB COc1ccccc1N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 3236263 NAICPDNVOPNWTA-UHFFFAOYSA-N 398.934 4.509 0 40 GJAB Cc1ccc(-c2nc3ncccn3c2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 4033778 CLIXNMYFHYRFAF-UHFFFAOYSA-N 396.372 4.976 0 40 GJAB COc1ccc(CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)cc1 4105985 JQQSKIJDEONJRO-UHFFFAOYSA-N 384.888 4.825 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)CCC(=O)N3CCCCC3)ccc21 4561087 ZRDOEDFNEMHXGL-UHFFFAOYSA-N 377.488 4.546 0 40 GJAB COC(=O)c1ccc([C@H]2O[C@@H]3CCCC[C@@H]3c3cc(OC)c(OC)cc32)cc1 4789010 RRDRXWGBAPJIMR-ZWDAVXSWSA-N 382.456 4.636 0 40 GJAB Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccs1 5100320 PGJRZDLFSGTKJH-UHFFFAOYSA-N 399.328 4.581 0 40 GJAB Cc1cc(C2=NN=C(Nc3ccccc3F)SC2)c(C)n1Cc1ccco1 5156911 KQQPNAPOMKMIHG-UHFFFAOYSA-N 382.464 4.804 0 40 GJAB Cc1ccc(Cl)c(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)c1Cl 6384197 CXIFNDALOWVUJM-UHFFFAOYSA-N 391.254 4.508 0 40 GJAB COc1cccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)c1OC(F)F 6557989 UHDDDTXDSNETKY-FMIVXFBMSA-N 391.395 4.922 0 40 GJAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2ccccc2)cc1 6605413 SFLHFEMXYAEXLR-UHFFFAOYSA-N 399.899 4.810 0 40 GJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CN2CCCC2=O)cc1 7268668 AOUXNOWXSFPKKE-UHFFFAOYSA-N 396.796 4.734 0 40 GJAB CC(C)[C@@H](NC(=O)CSc1ccccc1F)c1ccc2c(c1)OCCCO2 7361820 OMKVCDJXNLVBEX-OAQYLSRUSA-N 389.492 4.593 0 40 GJAB CCc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)s1 7763792 GNKVIRBOEDBMAG-UHFFFAOYSA-N 375.544 4.940 0 40 GJAB COc1ccccc1-c1nnc(S[C@H](C)c2nnc(-c3cccs3)o2)o1 7787295 NAAGSQTYALJPEY-SNVBAGLBSA-N 386.458 4.710 0 40 GJAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2OCc2ccccc2)c1 7801419 DPWTZACOGUSABF-UHFFFAOYSA-N 375.424 4.613 0 40 GJAB Cc1ccc(C)c(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)c1 7923268 JJTKAGRGKNMJGY-UHFFFAOYSA-N 391.496 4.806 0 40 GJAB Cc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1F 8281465 QAYCFVBATHGIPE-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB O=C(/C=C/c1ccccc1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 8902757 HQPQKWCNGZNEFG-DHZHZOJOSA-N 389.436 4.794 0 40 GJAB O=C(CSc1nncn1-c1ccccc1)N(c1ccccc1)C1CCCCC1 9127240 CPEGDCDVFNMYKP-UHFFFAOYSA-N 392.528 4.725 0 40 GJAB O=C1c2ccccc2N[C@H](c2cnn(Cc3ccccc3)c2)N1c1ccc(F)cc1 9339118 JBBHJSNEEYLIAO-QHCPKHFHSA-N 398.441 4.842 0 40 GJAB C[C@@H](NCc1cccc(OCc2cccnc2)c1)c1ccc2c(c1)OCCCO2 12238325 ZCUVRABTLQXCGS-GOSISDBHSA-N 390.483 4.673 0 40 GJAB Cc1cnc2c(S(=O)(=O)N(C)[C@@H](C)c3cc4ccccc4o3)cccc2c1 12527424 BREJIXKVLNFZMK-HNNXBMFYSA-N 380.469 4.671 0 40 GJAB C[C@@H]1CN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 12596278 BAAFLPMPJFVFOP-ZIAGYGMSSA-N 378.394 4.698 0 40 GJAB CSc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1 12597587 REUITHKFQNMVQZ-UHFFFAOYSA-N 375.925 4.713 0 40 GJAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cccc(Br)c1 12618201 DMTOEOCYMKYULU-UHFFFAOYSA-N 389.224 4.815 0 40 GJAB C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1Cl 12850257 IWRYUSJYMGEHIM-TZMCWYRMSA-N 391.298 4.762 0 40 GJAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c(OC)c1 13002095 CRUKKXVXTDQEIA-NCUBBLFSSA-N 394.496 4.690 0 40 GJAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccc(C(F)(F)F)cc1 13007779 YLBPNYTVVKOYIL-UHFFFAOYSA-N 385.769 4.701 0 40 GJAB CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 13807253 WWQLNDMYYBVNLM-SJORKVTESA-N 377.488 4.612 0 40 GJAB Cc1ccc(CSCCNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 15031994 CPSKBNRBLUHGNN-UHFFFAOYSA-N 397.519 4.600 0 40 GJAB COc1cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc(OC)c1 15075995 BQZAUZDQQNKJAC-UHFFFAOYSA-N 396.057 4.965 0 40 GJAB CC(=O)c1csc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)n1 15575801 KBBSLBNVVWEEEX-UHFFFAOYSA-N 385.059 4.607 0 40 GJAB NC(=O)c1cccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c1 15610832 QEMORBYVBZBKDK-UHFFFAOYSA-N 399.475 4.828 0 40 GJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 15956208 FWOFSGVAIHDXDD-BLDFMCFVSA-N 391.511 4.603 0 40 GJAB biogenic Cc1cc(NC(=O)Cc2cccs2)n(-c2nc(-c3cccs3)cs2)n1 17012042 IVQUUAVFQFQQSR-UHFFFAOYSA-N 386.527 4.608 0 40 GJAB CCC[C@@H](C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)n1nc(C)cc1C 19501814 CGGWJERSSNTFQI-UGKGYDQZSA-N 399.535 4.516 0 40 GJAB C[C@H](NC(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1ccc(-c2ccccc2)cc1 19600721 HWWQNMJUGMHYOM-SFHVURJKSA-N 392.543 4.816 0 40 GJAB COc1cccc(-c2cc(C(=O)Nc3ccc(C)cc3-c3cc(C)n[nH]3)on2)c1 19718325 QGCBALFRFALXSD-UHFFFAOYSA-N 388.427 4.609 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1OC 20036728 LGJMTFUFDIPIHD-KRWDZBQOSA-N 391.467 4.774 0 40 GJAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(Br)o1 20139783 MLFHQDVQSDMNNW-UHFFFAOYSA-N 396.624 4.700 0 40 GJAB O=C1CCCN1c1ccc(CC(=O)N(Cc2ccccc2)c2ccccc2)cc1 21598409 CQHQKYGFKWRMIL-UHFFFAOYSA-N 384.479 4.589 0 40 GJAB CN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@@H]1CCc2ccccc21 22761334 PGNABBKFPMDLRK-MRXNPFEDSA-N 382.813 4.917 0 40 GJAB Cc1cc(F)ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 25379362 XOWVJYXYZQNBLO-UHFFFAOYSA-N 381.304 4.730 0 40 GJAB C[C@H](SCc1cccc2cccnc12)c1nc(N)nc(Nc2ccccc2)n1 29678752 UCKMTSRKBZRPRO-AWEZNQCLSA-N 388.500 4.740 0 40 GJAB CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCc1ccccc1OC 31652257 UZOCBFXTZFRYPD-UHFFFAOYSA-N 382.529 4.970 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC1(c1ccccc1)c1ccccc1 32117892 TVVKUZNLZOBCLR-HSZRJFAPSA-N 380.491 4.833 0 40 GJAB biogenic,in-vitro C[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(OCc2cccnc2)cc1 32676325 ZOHYEGZNKNFPRR-INIZCTEOSA-N 380.875 4.734 0 40 GJAB CN(C)[C@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccccc1Cl 38630710 QXHVHMZMQXDRHB-QGZVFWFLSA-N 376.953 4.632 0 40 GJAB c1ccc(Cn2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccncc2)cc1 40127334 DVHPZWMDYAUVGJ-UHFFFAOYSA-N 398.495 4.557 0 40 GJAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(SC)c1 41076933 WWOBYSZZWXVICW-UHFFFAOYSA-N 395.528 4.921 0 40 GJAB CC[C@@H](C)c1cc(Cl)ccc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 42783138 OXGNDBMIOLFUAK-INWMFGNUSA-N 397.899 4.695 0 40 GJAB C[C@@H](OC(=O)c1cc2c(s1)CCCCCC2)c1nc(-c2cccnc2)no1 45916033 XTTXXRZOCWGNMI-CYBMUJFWSA-N 383.473 4.770 0 40 GJAB COc1cc(CN(C(=O)Nc2ccc(C)c(F)c2)C2CC2)ccc1OC(F)F 47702790 SIKKHKJWSALOEL-UHFFFAOYSA-N 394.393 4.941 0 40 GJAB COc1ccccc1[C@H](C)NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 57688683 OTIGPPWIOPFFHT-OLZOCXBDSA-N 381.303 4.530 0 40 GJAB Cc1ncc(CN(C)C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)s1 58268932 MDFNMKOWOXFZBW-UHFFFAOYSA-N 391.500 4.739 0 40 GJAB CCOC(=O)c1cc(-c2ccc(OC)cc2)c2c(C)nn(-c3ccccc3)c2n1 71405461 QRFNZEJAGAHJLO-UHFFFAOYSA-N 387.439 4.581 0 40 GJAB COC(=O)CCOc1ccccc1NC(=O)c1cc2c(s1)CCCCCC2 72298146 KMISXPOZXCYZRX-UHFFFAOYSA-N 387.501 4.601 0 40 GJAB Cc1c(Cl)cccc1NC(=O)NCc1nnc(-c2ccc(Cl)cc2)o1 72313531 YUPUUBSWGCRRJQ-UHFFFAOYSA-N 377.231 4.674 0 40 GJAB O=C(Cc1ccncc1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349432 DNEARPOVQLBOTC-LJQANCHMSA-N 391.902 4.746 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72349850 JAESIGQEUGYDKN-QGZVFWFLSA-N 395.503 4.596 0 40 GJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc(C)cs2)C12CCCC2 72401477 IYVKKNJQTOHCNV-SFHVURJKSA-N 397.544 4.743 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C)cn2)C12CCCC2 79479899 FUDVRPJCORBFFH-DYESRHJHSA-N 391.515 4.679 0 40 GJAB O=C(Nc1ccc(-c2ccccn2)cn1)c1csc(Cc2ccccc2F)n1 95977624 GWOOBCMXKAARCL-UHFFFAOYSA-N 390.443 4.582 0 40 GJAB CC(C)C(=O)N1CCC[C@]2(CCCN2Cc2ccc(-c3ccccc3)cc2)C1 96071308 KHNZNHDIOHAQSZ-VWLOTQADSA-N 376.544 4.967 0 40 GJAB C[C@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 100580471 SDCWCBCCXXJTKX-FASAQXTFSA-N 396.874 4.518 0 40 GJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118923124 JYBLPRVSUYUPPM-WJEZMIPNSA-N 385.592 4.878 0 40 GJAB Cn1nc(CN(Cc2ccco2)C(=O)Nc2ccccc2Cl)cc1C1CC1 217896738 AJLKIVOVHSGZLC-UHFFFAOYSA-N 384.867 4.778 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)C1 225429077 ABPWTMCGQBEVTO-INIZCTEOSA-N 392.528 4.689 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 225851781 HJDRTVJDVIVQJA-DLBZAZTESA-N 385.504 4.780 0 40 GJAB O=C(c1cncs1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257228177 FSQZEFXXHNOMJC-INIZCTEOSA-N 387.892 4.743 0 40 GJAB Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 408730876 JTOTUZVCLMHZPH-XWYWGPMTSA-N 393.486 4.740 0 40 GJAB COc1ccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@H]4C)cc1 584906224 NAGPWHRDBDRYIM-CQSZACIVSA-N 391.467 4.755 0 40 GJAB CC(C)(C)OCc1cc(CNC(=O)N2CCC[C@@](C)(c3ccccc3)CC2)no1 585082894 JUTVTLMLXGNSNH-HSZRJFAPSA-N 399.535 4.643 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)c1cccc(I)c1 710859 XFZPLBHCTYLFHW-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1CCCn1ccnc1 1305921 MUDPGMWUQBQPRT-UHFFFAOYSA-N 399.281 4.657 0 40 GJAB Cc1cc2nc(-c3ccc(SCC(=O)N4CCCC[C@@H]4C)nc3)[nH]c2cc1C 1329681 TUBRROYCCAQIKQ-INIZCTEOSA-N 394.544 4.735 0 40 GJAB COc1cc(OC)cc(-c2cc3nc(C)c(C)c(N4C[C@@H](C)C[C@H](C)C4)n3n2)c1 1340866 OKTBNPCULPRGGP-GJZGRUSLSA-N 394.519 4.513 0 40 GJAB CCOC(=O)c1c(NC(=O)CC)n(C2CCCCC2)c2nc3ccccc3nc12 2276709 NFLRQTVJZLNROZ-UHFFFAOYSA-N 394.475 4.615 0 40 GJAB COc1ccc(-n2cnnc2SCc2csc(-c3ccccc3)n2)cc1 2620670 VNAJJJJRYNAZRE-UHFFFAOYSA-N 380.498 4.692 0 40 GJAB Cc1ccc(-c2nsc(SCC(=O)NCc3ccccc3Cl)n2)cc1 2917476 DCTOOEJVRPVXMM-UHFFFAOYSA-N 389.933 4.575 0 40 GJAB CCOc1ccccc1OCCCC(=O)NCc1ccc(Cl)cc1Cl 3244859 HTINABAFPRURHZ-UHFFFAOYSA-N 382.287 4.868 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 3293917 JXMWLRKFXQJNQN-UHFFFAOYSA-N 399.830 4.564 0 40 GJAB COc1cc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)ccc1O 4155087 OEHZSAHLIXAOHB-WYMLVPIESA-N 385.423 4.525 0 40 GJAB biogenic Cc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c(C)c1 4518144 YAWZXQKQVNIZEP-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB O=C1C[C@@H](c2ccccc2Cl)Cc2nc(NCCc3ccccc3)ncc21 4741436 BDCFJBBSIJNPGA-INIZCTEOSA-N 377.875 4.697 0 40 GJAB O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccccc1)Nc1nccs1 4927734 OWNVDJHJSZMPAR-UHFFFAOYSA-N 392.509 4.931 0 40 GJAB CCCSc1nnc2n(CCC)c3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 5065534 HTZXIXWDISRMGC-JOCHJYFZSA-N 396.560 4.694 0 40 GJAB O=c1c(N2CCN(c3ccccc3Cl)CC2)csc2ccc(Cl)cc12 5087967 XCPDJTFUEXWXGZ-UHFFFAOYSA-N 391.323 4.895 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccccc1C(F)(F)F 5252286 DFVNYZAVMMOHNH-UHFFFAOYSA-N 388.389 4.647 0 40 GJAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1 5252315 LWKKVDMBPDHEDW-UHFFFAOYSA-N 376.500 4.926 0 40 GJAB O=c1nc(SCc2cccc3ccccc23)c2c(n1Cc1ccncc1)CCC2 5264391 KRCNDZFFNMCXIY-UHFFFAOYSA-N 399.519 4.621 0 40 GJAB Cc1cccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c1 5752408 KVDWGVXYDSWQPF-FQEVSTJZSA-N 394.858 4.998 0 40 GJAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1cccs1 6665670 ABHLHNZYEMJKOU-UHFFFAOYSA-N 394.500 4.608 0 40 GJAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(Cl)cc1Cl 7927266 KPKNGCDWUQHBKO-CQSZACIVSA-N 399.343 4.675 0 40 GJAB COc1cc(CNC[C@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl 8471300 ISPNLVPQNVQXQW-OAHLLOKOSA-N 396.314 4.850 0 40 GJAB C[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 9135094 MYCAZMDYGQEONG-LXZKKBNFSA-N 392.425 4.558 0 40 GJAB CCOc1ccc(NC(=O)[C@@H](NC(=O)C2CCC(C(C)C)CC2)C(C)C)cc1 9195246 ZLTDIQCPVXSZDQ-NGICGMGXSA-N 388.552 4.627 0 40 GJAB Cc1nc(=O)c(-c2ccccc2)c(C)n1CCc1c[nH]c2ccc(Cl)cc12 9304548 ZBMCXWZZCPIONB-UHFFFAOYSA-N 377.875 4.905 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(C)cccc3C)c2)cc1 10330845 RZHYKJPMSAMCSM-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1 12062636 SJDRDOBMDXBMHU-UHFFFAOYSA-N 395.459 4.666 0 40 GJAB CCN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 12737864 LRHAYYHPDIMOMQ-UHFFFAOYSA-N 384.483 4.629 0 40 GJAB Cc1ccc(CN(C)C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12811599 ANFFDQKECKOSOS-JOCHJYFZSA-N 382.504 4.695 0 40 GJAB COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccccc3C)cs2)cc1OC 12816601 UMXMRRBKMIWSGB-CQSZACIVSA-N 382.485 4.627 0 40 GJAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1SCC(F)(F)F 12912897 QVWONJFNUYBYCH-UHFFFAOYSA-N 383.391 4.641 0 40 GJAB C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)C[C@@H](C)O1 13005904 XXAFUAXNXKDWHT-CHWSQXEVSA-N 386.904 4.866 0 40 GJAB C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)cc1 13049383 GSFQVWHJQJKHJT-AWEZNQCLSA-N 397.862 4.746 0 40 GJAB Clc1ccc(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)c(Cl)c1 13689694 XGUUSFIYAICOKF-UHFFFAOYSA-N 391.239 4.555 0 40 GJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1 13710362 FXZHFHYGICEQDV-INIZCTEOSA-N 377.937 4.774 0 40 GJAB COc1ccc(-c2cc(CSc3nncn3CCc3cccs3)on2)cc1 14708157 XMUGJMCCFYUFPU-UHFFFAOYSA-N 398.513 4.538 0 40 GJAB CC(=O)N[C@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 15600749 TZRLVVMVZIRNIA-MRXNPFEDSA-N 384.785 4.565 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1C 15832067 FMVMFLVQIPJANB-QGZVFWFLSA-N 378.472 4.618 0 40 GJAB CCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC 16308334 VELLBCZLEFQLCM-QGZVFWFLSA-N 399.878 4.601 0 40 GJAB CCOc1ccc(NC(=S)N[C@H](C)c2ccc(OCC)c(OCC)c2)cc1 16317280 NDYBWLZIQNWSBY-OAHLLOKOSA-N 388.533 4.930 0 40 GJAB Cc1csc(C(=O)N2CCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)c1 19124555 VZXLFUIPQMXGEX-MRXNPFEDSA-N 390.468 4.632 0 40 GJAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)Cc3ccc(C)s3)CC2)C1 19217140 FGQALUNDVPEWBU-UHFFFAOYSA-N 398.572 4.611 0 40 GJAB C[C@@H](CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 19456063 XWNVRXYYQYFAPA-CVDCTZTESA-N 393.575 4.801 0 40 GJAB CCCC(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19501334 ZDXCPJNZJDUWBY-HXUWFJFHSA-N 387.487 4.746 0 40 GJAB Cc1noc2nc(C3CCN(C(=O)c4ccccc4F)CC3)cc(C(F)F)c12 19564894 HYOATIRDOHHPCP-UHFFFAOYSA-N 389.377 4.628 0 40 GJAB CCCCn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19879843 PMWZAXALFLGERW-UHFFFAOYSA-N 376.287 4.912 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 20490846 AALUBVBMICFVKF-LJQANCHMSA-N 382.504 4.628 0 40 GJAB Cc1ccc(-c2nn(CN(C)Cc3nc4ccccc4s3)c(=S)[nH]2)cc1 23851043 BUJPYLICBRKBTO-UHFFFAOYSA-N 381.530 4.615 0 40 GJAB CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2ccccc2F)cc1 24761650 CMMZTIJHQIWVCQ-UHFFFAOYSA-N 396.466 4.545 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc(C4CC4)cs3)cc12 25560628 WHMJOWZMFVAXBR-UHFFFAOYSA-N 380.498 4.982 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cn2cc(Cl)cn2)cc1 27969602 UZXWTLVMAYSYCW-UHFFFAOYSA-N 395.768 4.736 0 40 GJAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccccc1N1CCCCCC1 30994808 ARULDNMXYGLWSN-IBGZPJMESA-N 391.515 4.597 0 40 GJAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccc(Cl)cc1 32094353 TZPZCFYUJYOECB-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB O=C(CN1CCC(CN2CCCCCC2)CC1)Nc1cccc(Cl)c1Cl 32927285 UJXFBOAHVKGJCX-UHFFFAOYSA-N 398.378 4.520 0 40 GJAB CCc1ccc(-n2cc(-c3nc(-c4cccnc4)no3)c3ccccc3c2=O)cc1 38486894 WXEJJBBOVLKXNT-UHFFFAOYSA-N 394.434 4.665 0 40 GJAB CC(C)Sc1ccc(CC(=O)N2CCC(c3nnc(C(C)C)o3)CC2)cc1 38518245 NDMFYLCEHWHGPB-UHFFFAOYSA-N 387.549 4.642 0 40 GJAB O=C(NCCc1ccccc1F)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 40061964 AALPVOAKJBJAJZ-DLBZAZTESA-N 380.488 4.844 0 40 GJAB COc1cc(OC)c(C2=CCN(c3nccc4sccc34)CC2)c(OC)c1 40151425 VBWSXCPUHGFQON-UHFFFAOYSA-N 382.485 4.616 0 40 GJAB CC[C@@H](C(=O)Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1)c1ccccc1 41076515 JDQHCOFXLJIFAA-OAHLLOKOSA-N 397.891 4.639 0 40 GJAB C[C@@H]1CCC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)C1 71084640 ZDIWXOUSOHUVGI-IQMFZBJNSA-N 379.456 4.559 0 40 GJAB CCOc1cc(CNc2ncnc3sc(C)c(C)c23)ccc1OC(F)F 71968290 PMNOTKKAHPRMHV-UHFFFAOYSA-N 379.432 4.920 0 40 GJAB Cc1ccc(NC(=O)COc2ccc(N(C)C(=O)Oc3ccccc3)cc2)cc1 89634984 MQSUAMPUKQRBIQ-UHFFFAOYSA-N 390.439 4.648 0 40 GJAB COCOc1ccc(OC)cc1CNc1cc([C@H]2C[C@H]2C)nn1-c1ccccc1 95455331 VFAWCZZTJXZHKX-UZLBHIALSA-N 393.487 4.599 0 40 GJAB Cc1sc2nc(C(F)(F)F)nc(N3CCN(c4ccccc4)CC3)c2c1C 95948979 LDYDGUUJSZRDKF-UHFFFAOYSA-N 392.450 4.654 0 40 GJAB O=C(CCc1ccccc1Br)N1CCC(c2cccs2)CC1 96120598 PWURXYHYABUSAY-UHFFFAOYSA-N 378.335 4.849 0 40 GJAB CO[C@H]1CCN(c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2)C1 96122256 APWGLARICLTBLM-IBGZPJMESA-N 392.421 4.502 0 40 GJAB COc1ccc([C@@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)c2ccccc12 96222659 VWYCWLMUCXHZIN-SFHVURJKSA-N 386.403 4.704 0 40 GJAB biogenic CC(C)[C@H](C)NC(=O)c1cnc(-c2noc3cc(-c4ccncc4)ccc23)s1 96266565 GLNKXSAPFXESAS-ZDUSSCGKSA-N 392.484 4.788 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 136532541 VPRGASMYRBOBFD-ROUUACIJSA-N 396.874 4.580 0 40 GJAB CC(=O)Oc1ccc(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 206996590 YHNAWAGTVAZJIR-LJQANCHMSA-N 389.904 4.586 0 40 GJAB O[C@H](C[C@@H]1c2ccccc2-c2cncn21)C1CCC(OCc2ccccc2)CC1 207679263 BGZYLMZZDLEDEY-LIZXNZSYSA-N 388.511 4.980 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CC1 223336316 CPKASGGMGYFLBC-SFTDATJTSA-N 392.528 4.601 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1C(C)(C)C 223713725 QYRNZEOBVBMYKX-GOSISDBHSA-N 389.923 4.990 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(C)c(Cl)c1 224164751 MOXKWLPNIIZOHK-HXUWFJFHSA-N 375.896 4.618 0 40 GJAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccccc2CN2CCCC2)cc1 224757665 ZKDHVBBEIKPHPG-NTCAYCPXSA-N 376.544 4.910 0 40 GJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccccc1 225196289 YIASIDQEGCQLGS-YVUGPFRESA-N 388.467 4.626 0 40 GJAB COc1ccc2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(=O)oc2c1 226042846 VFMLXSVLVUXEGA-UHFFFAOYSA-N 397.736 4.726 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 257220382 DKPSYSRNARVPHZ-IBGZPJMESA-N 381.863 4.600 0 40 GJAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccccc3)n2)cc1 408695275 PEZZKODVJQHTFN-UHFFFAOYSA-N 398.466 4.894 0 40 GJAB CCOc1ccccc1N=c1[nH]c(-c2ccc(C)cc2C)c(CC(=O)O)s1 408880736 IOHVKTMCBDTLMC-UHFFFAOYSA-N 382.485 4.618 0 40 GJAB O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)[C@@H]1Cc2ccc(F)cc21 684479351 UEIPXJGLDHPREW-QZTJIDSGSA-N 396.462 4.922 0 40 GJAB C[C@H](C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1ccccc1 1528558179 HFGBNMFFZNVIOA-HRAATJIYSA-N 386.486 4.800 0 40 GJAB CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)c1ccccc1 906808 BSIWOKMGEKFWET-UHFFFAOYSA-N 386.908 4.539 0 40 GJAB CC(C)c1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1CCCC2 1258123 DIULBFYJCHGGJY-CYBMUJFWSA-N 382.533 4.833 0 40 GJAB CN(C)CCCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 1773041 UCHBWIUZWZPYRH-UHFFFAOYSA-N 375.303 4.967 0 40 GJAB CCCOc1c(Cl)cc(/C=C2/N=C(c3cccs3)OC2=O)cc1OC 2092965 PXGOPFWGOWGIBZ-UKTHLTGXSA-N 377.849 4.543 0 40 GJAB CCCC(=O)Nc1c(-c2ccccc2)c(=O)c(C)nn1-c1ccc(C)c(C)c1 2332321 PQQXQLYZYUHEBU-UHFFFAOYSA-N 375.472 4.563 0 40 GJAB Cc1ccccc1NC(=S)Nc1ccccc1C(=O)NCc1ccccc1 3504194 FOUYJELAXDUSJO-UHFFFAOYSA-N 375.497 4.734 0 40 GJAB CCOC(=O)[C@H](OP(=O)(OCCC(C)C)OCCC(C)C)C(F)(F)F 4277127 BLUACNZPEWBLFO-ZDUSSCGKSA-N 392.351 4.731 0 40 GJAB CCCCOc1nc2cc(Br)c(Br)cc2nc1Cl 4694009 NNEFVGXBEWGAGM-UHFFFAOYSA-N 394.494 4.987 0 40 GJAB COc1cccc(-c2cc(C(F)(F)F)nc(NCc3ccc(F)cc3)n2)c1 4757753 MZTFCUSRGDDALU-UHFFFAOYSA-N 377.341 4.922 0 40 GJAB aggregator CC(C)C(=O)N1CCCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 5099497 KJQOTGDIHCJDQH-UHFFFAOYSA-N 380.532 4.777 0 40 GJAB O=C(CCCCC(=O)Nc1cccc2cccnc12)Nc1cccc2cccnc12 5945676 ULNUMUKNQBVGCZ-UHFFFAOYSA-N 398.466 4.921 0 40 GJAB CCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 5978808 GHHYARJTGHBTET-UHFFFAOYSA-N 399.299 4.615 0 40 GJAB COc1ccc([C@H](CN(C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1 6437116 UCYAFVHTCDZUMO-QHCPKHFHSA-N 389.495 4.673 0 40 GJAB O=C1S/C(=C\c2cc3ccccc3oc2=O)C(=O)N1c1ccc(Cl)cc1 6496496 FQPACOGVONXGKA-YBEGLDIGSA-N 383.812 4.687 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)nnn2CC 6578587 LTOWJXQHDNFZSR-UHFFFAOYSA-N 392.381 4.511 0 40 GJAB Cc1c(C(=O)NCCc2ccc(F)cc2)oc2ccc(Br)cc12 6654340 GYOAKNQNWUENFP-UHFFFAOYSA-N 376.225 4.615 0 40 GJAB CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)C1=CCCC1 6821875 RTTLROLVQNNEKV-UHFFFAOYSA-N 394.500 4.536 0 40 GJAB Cc1c(Cl)cnc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)c1Cl 6839289 NASFKKAEFLOTKJ-QPJJXVBHSA-N 399.661 4.545 0 40 GJAB Cc1ccc2c(COC(=O)Cc3ccc(Cl)c(Cl)c3)cc(=O)oc2c1 6887194 KDWNDJNWQMMWFO-UHFFFAOYSA-N 377.223 4.694 0 40 GJAB O=S(=O)(Nc1ccccc1Cl)c1ccc(Br)cc1Cl 6889544 ZCSUSBJBKYXAPN-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@H]1CCCO1 7758275 TXFRFWPKGBQMNN-MRXNPFEDSA-N 378.291 4.718 0 40 GJAB c1csc(-c2nnc(SCc3nc(-c4ccsc4)no3)n2C2CC2)c1 8075851 GWQUALYRTNXSGF-UHFFFAOYSA-N 387.515 4.745 0 40 GJAB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 10768441 RACVGMVINOUARB-NSHDSACASA-N 392.286 4.781 0 40 GJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3C)c3ccccn23)cc1 12342010 YQQMFTFJTVSFJO-UHFFFAOYSA-N 397.478 4.930 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)N(C)Cc2ccc3ccccc3c2)cc1 12790688 OCNQJSIMHKLLKF-UHFFFAOYSA-N 375.468 4.860 0 40 GJAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(F)c2)o1 15881500 CTVFFECMBTWBIG-UHFFFAOYSA-N 378.407 4.593 0 40 GJAB CC(C)C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19085507 VELJMQRZPKZBQH-GFCCVEGCSA-N 383.439 4.586 0 40 GJAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2ccccc2Cl)cc1 20036283 NXYNNZNJKFAFCM-LJQANCHMSA-N 381.925 4.555 0 40 GJAB CC[C@H](C)Oc1ccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)cc1 20412388 DQSRXXKIVJOPKS-LBPRGKRZSA-N 384.457 4.513 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H]1c1cccs1 22191291 JEIGIGJXYQPZCP-ZDUSSCGKSA-N 386.498 4.941 0 40 GJAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1c(C)cccc1C(C)C)cn2C 22237371 DKELXPFQPYJESM-UHFFFAOYSA-N 378.472 4.621 0 40 GJAB c1ccc(Cn2cc(CNC[C@@H]3CCCO3)c(-c3cc4ccccc4o3)n2)cc1 24321128 BSCVSXQKEUPFPX-NRFANRHFSA-N 387.483 4.613 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2cc3cc(F)ccc3s2)C2CC2)c1 25807939 RPHLVRCTTQKZFV-UHFFFAOYSA-N 385.460 4.862 0 40 GJAB FC(F)(F)c1cccc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)c1 26435808 OVTPZLICEMMFAL-HNNXBMFYSA-N 394.374 4.893 0 40 GJAB CCN(C(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1nc2ccccc2s1 26908990 ZUDMAVUFEGVGJM-KRWDZBQOSA-N 382.485 4.521 0 40 GJAB CCOc1ccc2nc(NC(=O)c3cc(-c4ccc(C)cc4)on3)sc2c1 27662627 DVVXBQZPHQMDII-UHFFFAOYSA-N 379.441 4.911 0 40 GJAB COc1ccc(-c2nc(C(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)cs2)cc1 29611929 NLVUFCMIZUXULM-ZIAGYGMSSA-N 384.423 4.670 0 40 GJAB Cc1c(C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)oc2c1ccc1ccccc12 31302019 MJRSHTGLBGJWLM-LJQANCHMSA-N 381.378 4.636 0 40 GJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc(F)c(F)cc1Cl 32647500 HYMSVYGXKLMJSF-UHFFFAOYSA-N 382.197 4.769 0 40 GJAB O=C(Nc1cccnc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 33759088 BNKPLEILTCLQTH-UHFFFAOYSA-N 382.379 4.797 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc3C2)c1 35269255 IUJOCGXJFVSKLQ-XMMPIXPASA-N 384.479 4.627 0 40 GJAB COc1cc(COC(=O)CCc2ccc3ccccc3n2)ccc1OC(F)F 36776733 VEIWIWUBJDHTRR-UHFFFAOYSA-N 387.382 4.521 0 40 GJAB CCOc1ccc(-n2nnc(-c3nc(-c4ccc(F)cc4)cs3)c2C)cc1 38486436 CDQZWPCMKKHVFS-UHFFFAOYSA-N 380.448 4.904 0 40 GJAB CCCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)s1 39989143 NTYLNVZLFHWYDO-NSHDSACASA-N 385.942 4.716 0 40 GJAB CCOc1cc(Cl)c(S(=O)(=O)N(CC)C2CCCCC2)cc1Cl 41095054 QWOLHTFHRIILSP-UHFFFAOYSA-N 380.337 4.735 0 40 GJAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccccc2N2CCCCC2)c1 57849597 NHUUSSBOZKHLER-INIZCTEOSA-N 380.492 4.518 0 40 GJAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)CSc1nc2ccccc2s1 58209512 MJKXKOUEYVNPLW-UHFFFAOYSA-N 398.488 4.567 0 40 GJAB COc1ccc(CNC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 62017455 UMBYBDYUQGIGDK-UHFFFAOYSA-N 384.486 4.545 0 40 GJAB C[C@@H]1CCc2c(sc3nc(-c4cccc(Br)c4)[nH]c(=O)c23)C1 65002293 MZUXWDRHTXHNFF-SECBINFHSA-N 375.291 4.539 0 40 GJAB COc1ccc2oc(-c3ccc(CNC(=O)c4ccccc4F)cc3)nc2c1 67207096 CMATVUOYXNACMC-UHFFFAOYSA-N 376.387 4.573 0 40 GJAB Cc1ccsc1CN(C)C(=O)c1c(C)nn(Cc2ccccc2Cl)c1C 69694788 JXJMZWOCUAOOSH-UHFFFAOYSA-N 387.936 4.844 0 40 GJAB CCN(C(=O)Nc1cc(Cl)ccc1Cl)[C@H]1CCN(c2ccccc2)C1=O 78821493 FQNWIFKFQPHNJW-KRWDZBQOSA-N 392.286 4.653 0 40 GJAB O=C(c1cc(-c2ccccc2)ns1)N1CCC(c2nc3ccccc3[nH]2)CC1 84560177 GPHQKLRARODRPH-UHFFFAOYSA-N 388.496 4.706 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)NC[C@H](C)c3ccccc3)s2)cc1 89635207 AVOGFDHBJBMGMG-HNNXBMFYSA-N 398.557 4.602 0 40 GJAB O=C(N1CCC(CSc2ccccn2)CC1)C1(c2cccs2)CCCC1 90608059 WJIWXTSFWUTUOI-UHFFFAOYSA-N 386.586 4.986 0 40 GJAB Cc1ccc(-n2c(SC/C=C/c3ccccc3)nc3ccccc3c2=O)nc1 95947334 QFUSEBRMVKIEBP-JXMROGBWSA-N 385.492 4.895 0 40 GJAB O=C(Nc1ccc(OCC2CC2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 95959331 QJWTXSQJXIPVSL-HXUWFJFHSA-N 394.471 4.616 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@H](C)C2 100471138 WQQWVBYKBCAENQ-NHIYQJMISA-N 375.534 4.813 0 40 GJAB Cc1cccc(C(=O)Nc2c(NCc3ccccc3)c3ccccc3oc2=O)c1 101094109 ANBJUOUSIAELAK-UHFFFAOYSA-N 384.435 4.966 0 40 GJAB O=C(Nc1cccnc1)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 126648128 UTLBBOCGTPRTQV-IAGOWNOFSA-N 391.393 4.641 0 40 GJAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1Cl 222690028 AWJWIHMVZUKRBL-QGZVFWFLSA-N 389.879 4.780 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)n1 223502575 HNMXHDXVWFMJIP-HXUWFJFHSA-N 375.516 4.965 0 40 GJAB COc1ccccc1CCCNC(=S)Nc1ccc(Br)cc1F 225550680 NNEMQEIHSQXPJQ-UHFFFAOYSA-N 397.313 4.516 0 40 GJAB Cc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225588840 SEXIABMRXNLMCN-MRXNPFEDSA-N 388.914 4.877 0 40 GJAB Cc1ccccc1-c1noc(CCC(=O)Nc2cc(Cl)ccc2Cl)n1 225815753 YXUHZZSRLIVHNY-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB S=C(Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1)NC1CC1 226004125 RRVMVEUOYPUFCU-UHFFFAOYSA-N 378.457 4.510 0 40 GJAB CCC(CC)C(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2ccncc2)CC1 257305224 SOYUJSKROBMCBS-IRJFHVNHSA-N 380.536 4.673 0 40 GJAB CCOc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)cc1 408627887 QYWJQHWHWIYQGD-UHFFFAOYSA-N 381.497 4.789 0 40 GJAB Cc1ccc(-c2ccc(C(=O)NC(=S)NCc3ccccc3)o2)cc1Cl 408627927 OLJNKMSQSBNJHM-UHFFFAOYSA-N 384.888 4.713 0 40 GJAB COc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCCC4)cc3c2)cc1C 408713097 KDUNBGVXPYMKDJ-UHFFFAOYSA-N 394.496 4.707 0 40 GJAB O=C1S/C(=C/c2coc3ccccc3c2=O)C(=O)N1c1ccc(Cl)cc1 409370399 QFBPNIIPPMFMTH-CXUHLZMHSA-N 383.812 4.687 0 40 GJAB C[C@@H]1CN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)CCC1=O 506357534 RKUVLYVLKWJXKV-CQSZACIVSA-N 397.858 4.716 0 40 GJAB O=C(CC1CCCC1)NC1CCC(C(=O)Nc2ccc(C3CCC3)cn2)CC1 581936015 TWOHEHOSTYLSDU-UHFFFAOYSA-N 383.536 4.543 0 40 GJAB O=C(c1ccc(-c2ccsc2)cc1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148952 MWOUTCJDYHQCOF-FQEVSTJZSA-N 375.493 4.980 0 40 GJAB Cc1cc(C)cc(-c2cc(NC(=O)c3cccc([C@@H]4CCCN(C)C4)c3)n[nH]2)c1 1160692738 HPQMJMUFZGTDKY-HXUWFJFHSA-N 388.515 4.755 0 40 GJAB CCc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)cc1 1615154762 GTZFEPVFCKJYLL-KNQAVFIVSA-N 380.507 4.908 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)ccc1Cl 1106636 QUYZDKCHPYQGTJ-UHFFFAOYSA-N 393.830 4.869 0 40 GJAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc5ncccc45)cc3n2)cc1 1346231 DBYUFURWSSNJKM-UHFFFAOYSA-N 379.423 4.529 0 40 GJAB CCO[P@@](=O)(C(NC(=O)c1ccc(C)cc1)=C(Cl)Cl)c1ccccc1 3118652 JUVOYSGPVPUFEB-RUZDIDTESA-N 398.226 4.969 0 40 GJAB O=C(CSc1nnc(NCc2ccccc2)s1)c1c[nH]c2ccccc12 3250699 XEJWMOBZUOBXKT-UHFFFAOYSA-N 380.498 4.607 0 40 GJAB COc1ccc(C)cc1NC(=O)COc1c(C)cc(Br)cc1Cl 3493684 XRCZPWRVJWTBFL-UHFFFAOYSA-N 398.684 4.745 0 40 GJAB Cc1cc(Cl)ccc1Nc1nc(N2C[C@H](C)C[C@@H](C)C2)nc2c1cnn2C 4374901 BVRQLTNQAUHDMN-CHWSQXEVSA-N 384.915 4.551 0 40 GJAB Cc1ccc(C)c(NC(=O)c2c(N)c(C(=O)c3ccccc3)n3ccccc23)c1 4585227 SIDFEHYSSXXJRY-UHFFFAOYSA-N 383.451 4.622 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)NCCc1ccccc1 5243024 GLZZXKRMQDGTSQ-UHFFFAOYSA-N 399.519 4.748 0 40 GJAB c1ccc2c(c1)OC1(CCCCC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@H]21 5603195 WNSLONYGAURLOZ-LJQANCHMSA-N 376.456 4.662 0 40 GJAB Cc1ccccc1-n1c(S[C@@H]2CCCCC2=O)nc2cc(Cl)ccc2c1=O 6093780 ALXAKVYYCHSYSZ-LJQANCHMSA-N 398.915 4.951 0 40 GJAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 6551406 GPLHBMKYZDKXHC-UHFFFAOYSA-N 386.407 4.599 0 40 GJAB CCc1ccc(Nc2nnc(SCC(=O)N(C)c3ccccc3)s2)cc1 6789706 SFGOJODNEMVCQZ-UHFFFAOYSA-N 384.530 4.599 0 40 GJAB O=C(NC1CC1)[C@H](Oc1ccc(Br)cc1Cl)c1ccccc1 6988851 WGNDPNBLCKEONR-MRXNPFEDSA-N 380.669 4.501 0 40 GJAB O=C1CC2(CCCCC2)C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccccc1 7046947 FJMZGVZCQSHZPJ-UHFFFAOYSA-N 399.494 4.749 0 40 GJAB COc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)cc1Cl 7706335 FSMXCARSCXTOFX-UHFFFAOYSA-N 376.840 4.792 0 40 GJAB CCc1ccc2c(CN3CCC[C@H]3c3cc(OC)ccc3OC)cc(=O)oc2c1 7718220 JOXPIAOAWKRIJZ-NRFANRHFSA-N 393.483 4.710 0 40 GJAB Cc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 9062636 PLDQYZGOEBNGFQ-UHFFFAOYSA-N 384.951 4.609 0 40 GJAB O=c1[nH]c2ccccc2nc1[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 9087158 LGPZJVXBZCSADN-FQEVSTJZSA-N 384.464 4.681 0 40 GJAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 9137556 PTVMNMVITLGBJN-UHFFFAOYSA-N 390.405 4.893 0 40 GJAB Cc1sc2ncnc(NCc3ccc(NC(=O)c4ccco4)cc3)c2c1C 11607691 SXHYUNMFHQUBCT-UHFFFAOYSA-N 378.457 4.766 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)NCCCCOc1ccc(F)cc1 12392943 ZRSGNXOMJHKOKO-UHFFFAOYSA-N 390.505 4.908 0 40 GJAB Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4C5CC6CC(C5)CC4C6)[C@H]3C2=O)c1 12436989 UESZGMALBGUBGC-LHWYUNGOSA-N 385.507 4.669 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCCCC2)cc1 12437844 LPCGDTHEZXPWJS-UHFFFAOYSA-N 380.513 4.756 0 40 GJAB Cc1ccc(C)c(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)c1 12628692 NPGIAZNXUUXGPY-QFIPXVFZSA-N 383.495 4.904 0 40 GJAB O=c1/c(=C/c2ccccc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 13003538 HDSXNEYBWBDJBL-SILNSSARSA-N 380.472 4.638 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1nc(-c3ccco3)sc1C)O[C@@H](C)C2 13005979 XBRBSTDQXGMHBV-NSHDSACASA-N 384.457 4.686 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)NCCCSc2ccccc2)c1 14119297 RCKBDKRAGAIRAK-UHFFFAOYSA-N 396.512 4.783 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)CC1 14197247 XWEYTWLEMVFLIM-UHFFFAOYSA-N 392.594 4.780 0 40 GJAB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 16439896 FACUUTDWFPQLCR-NTUHNPAUSA-N 391.254 4.946 0 40 GJAB Cc1ccc([C@@H](NC(=O)c2cc(=O)c3ccccc3o2)c2cccs2)cc1 18211966 XBRSZOKVJKGLAB-OAQYLSRUSA-N 375.449 4.682 0 40 GJAB CCOc1cc2c(cc1CN[C@H](Cc1ccsc1)c1ncccc1C)OCO2 19532523 LTBGDJVLRKBYIF-GOSISDBHSA-N 396.512 4.653 0 40 GJAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CCc2ccccc2F)[C@@H]3CCC1 20407724 YTYAVJOYIIGHRM-JOCHJYFZSA-N 376.475 4.941 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](C)CCc3ccccc3)n2)cc1 23682495 NGHPWORJCKHGSB-SFHVURJKSA-N 391.515 4.930 0 40 GJAB c1ccc(Cn2cc(CNC[C@H]3CCCO3)c(-c3cc4ccccc4o3)n2)cc1 24321124 BSCVSXQKEUPFPX-OAQYLSRUSA-N 387.483 4.613 0 40 GJAB CC(C)c1cc(C(=O)NCc2ccccc2Cn2ccnc2)c2ccccc2n1 25666223 IIECVRMCURNJCU-UHFFFAOYSA-N 384.483 4.533 0 40 GJAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)C1CCCC1 28306108 WEEWZTVCCDUVQQ-UHFFFAOYSA-N 381.398 4.684 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OCC 30870442 XZNGSVBDOHKLTM-HUUCEWRRSA-N 391.895 4.782 0 40 GJAB C[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)n1cc(Br)cn1 32609629 QPHPNFKPOAEJFA-LURJTMIESA-N 397.487 4.806 0 40 GJAB Cc1nc2ccccc2n(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c1=O 32741466 RQRPGPIQYQHZRB-UHFFFAOYSA-N 377.488 4.590 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 32936643 IJDBDGOBBFCPNZ-UWJYYQICSA-N 379.431 4.530 0 40 GJAB Cc1ccc(-c2nc(NC(=O)CC(C)C)sc2NC(=O)c2ccco2)cc1 35671436 QOYVWQZNLUGEDM-UHFFFAOYSA-N 383.473 4.948 0 40 GJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)c(OC)c1 36359481 RCLXXJSDYQPGAR-MRXNPFEDSA-N 383.835 4.667 0 40 GJAB O=C(Nc1ccccc1Oc1ccccc1)N1CCN(c2ccc(O)cc2)CC1 40099140 IONKHIYNWLBUJG-UHFFFAOYSA-N 389.455 4.539 0 40 GJAB O=C(Nc1ccc(NC(=O)N2CCCCCC2)c(C(F)(F)F)c1)c1ccoc1 40120559 WMDNFLAPCPHTHL-UHFFFAOYSA-N 395.381 4.959 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(Nc2ccccc2)s1 51139491 OWABMGXQGMUKRZ-UHFFFAOYSA-N 390.921 4.974 0 40 GJAB O=C(COC(=O)c1ccc(F)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 51354075 LTAJOKGYISQGBA-UHFFFAOYSA-N 376.598 4.581 0 40 GJAB Cc1ccc(Cl)cc1N1CCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 57452422 MAGRQHVNOPGXOH-CQSZACIVSA-N 388.924 4.643 0 40 GJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)c(F)c1 67295527 XIRXPEOKRXGTBM-LVWGJNHUSA-N 376.387 4.636 0 40 GJAB CCOCCOc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 67319178 SIWNCOQSGIEAHU-DEOSSOPVSA-N 389.495 4.930 0 40 GJAB O=C(NCc1nc(-c2ccc(F)cc2)c[nH]1)c1ccc(C2SCCS2)cc1 72307131 OUJLKJUPGFNUDA-UHFFFAOYSA-N 399.516 4.624 0 40 GJAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H](c2cccc(-c3cccs3)n2)C1 72350723 DUZGOSJATJNPMS-MRXNPFEDSA-N 388.496 4.706 0 40 GJAB Cc1nc2ccccc2nc1COC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 84057550 GPTSFZFNRGZGRU-CABCVRRESA-N 386.373 4.804 0 40 GJAB Cc1cc(OC(F)F)c(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)s1 84081707 NDKNDWOYNYOUNG-LLVKDONJSA-N 387.835 4.605 0 40 GJAB C[C@@H](CC(=O)c1ccccc1)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 84636732 FKGBSCNBVSLEGU-CABCVRRESA-N 377.406 4.977 0 40 GJAB CCOc1ccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)cc1 95471080 YTHVWOKIANOFAT-UHFFFAOYSA-N 396.240 4.802 0 40 GJAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](c2c(F)cccc2Cl)S1 95473334 SXFWPEVNQABUMC-HNNXBMFYSA-N 381.860 4.619 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 100898245 CYEABNJSCNPBIF-ZPLOVTKXSA-N 391.854 4.690 0 40 GJAB CC(C)CCSc1nnc2[nH]c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 101141675 REKYHIMJNIMOMW-UHFFFAOYSA-N 394.544 4.591 0 40 GJAB Cc1ccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c(C)c1 107100879 HIOBFZSMVQNRCY-UHFFFAOYSA-N 394.784 4.809 0 40 GJAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2cncc(-c3ccsc3)c2)c1C 206950358 DYWNBUABMKJBKX-UHFFFAOYSA-N 386.542 4.522 0 40 GJAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(OC)c(OC)c1 219303573 STGBFMCWHJIHQL-HKUYNNGSSA-N 385.504 4.664 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)c1 222708622 BWEITNLULKIYFE-LBPRGKRZSA-N 397.899 4.607 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1cc(OC)ccc1OC 223693946 IJJWHNYUXRIFJL-ZHRRBRCNSA-N 397.515 4.617 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 224442644 NDCIUPNGKQQAEA-LJQANCHMSA-N 375.896 4.645 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)NC1CCCC1 224527081 XFFFQLILQPRVOO-SFHVURJKSA-N 399.362 4.960 0 40 GJAB CCCOCc1cc(C(=O)Nc2cc(Cl)ccc2OC)ccc1OCC 224707682 WRGUKAOGXDLSIK-UHFFFAOYSA-N 377.868 4.926 0 40 GJAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCCCC1 225851312 JDVAQQJAEOHCLQ-INIZCTEOSA-N 391.508 4.719 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccc3c(c2)OCO3)CCCC1 225944996 ZBJRFEUKTOVPOY-UHFFFAOYSA-N 393.361 4.764 0 40 GJAB O=C(CCc1cccc(Cl)c1)N1CCC(Oc2cccc3cccnc23)CC1 238951576 XASDPDBBMSQPGM-UHFFFAOYSA-N 394.902 4.891 0 40 GJAB COc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2ccccc2F)cc1 408622244 BOKJIQUVMVMEKS-UHFFFAOYSA-N 385.460 4.538 0 40 GJAB CC(C)n1nccc1[C@H]1OCC[C@@H]1c1nc(-c2cc3cc(Cl)ccc3[nH]2)no1 578596227 YUUGHAAKGWCXAA-KSSFIOAISA-N 397.866 4.894 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cnc(C3CC3)o1)CC2 628120463 OOQJIBFLPPZOOO-QHCPKHFHSA-N 390.483 4.717 0 40 GJAB CCOc1ccccc1C(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615123354 UMMZVDHCRTZRFN-XMMPIXPASA-N 396.506 4.888 0 40 GJAB Cc1ccc(CC(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)cc1 1615154254 FRJJGARFAHAJLR-XMMPIXPASA-N 380.507 4.727 0 40 GJAB O=c1cc(CN2CCC(Cc3ccccc3Cl)CC2)c2ccc(O)cc2o1 1654538182 OXHCVNJRGNMXRE-UHFFFAOYSA-N 383.875 4.607 0 40 GJAB COc1ccc(C(=O)Oc2ccc3c(Br)cccc3c2)cc1OC 683097 YLDGLMAHTWUKAU-UHFFFAOYSA-N 387.229 4.839 0 40 GJAB COc1ccc(N(C)C(=S)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 725499 JJXFECOCFJBYRH-UHFFFAOYSA-N 392.480 4.748 0 40 GJAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 827202 MAAJOYYEKDBKPE-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CCOc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1 954945 HVQXOSAAXMMCLG-CSKARUKUSA-N 394.254 4.587 0 40 GJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CCc2ccccc2F)c1 1431439 ZJZPHDJRKPTLIN-UHFFFAOYSA-N 376.431 4.958 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(N)s2)c2ccccc2)cc1Cl 3311310 UXQMIUKBNCBEBR-AWEZNQCLSA-N 390.921 4.554 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C(C)C)cc2)NC(=S)N1 4889323 GVZFPFVICPMHPG-OAQYLSRUSA-N 393.556 4.858 0 40 GJAB CCCCCC(=O)Nc1c(-c2cccc(OC)c2)c(=O)c2ccccc2n1C 5021730 VSRFQMNXTWUBKV-UHFFFAOYSA-N 378.472 4.733 0 40 GJAB Cc1cc2nc(N(CCN(C)C)C(=O)c3ccc(Cl)s3)sc2cc1C 5152608 BUYXZSZFZDABQF-UHFFFAOYSA-N 393.965 4.836 0 40 GJAB O=C(c1ccccc1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 5265238 XODREYAPPDOHBH-UHFFFAOYSA-N 381.407 4.817 0 40 GJAB CCOC(=O)[C@H](C)Oc1c(-c2ccc(C)cc2)oc2cc(C)c(C)cc2c1=O 5557079 MBLHCRBGBMCZRT-INIZCTEOSA-N 380.440 4.716 0 40 GJAB Cc1cc(Cc2c(O)nc(SCc3ccccc3)nc2O)ccc1OC(C)C 5634775 VDPXLAHLNQZUBC-UHFFFAOYSA-N 396.512 4.867 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)oc2c1 6305080 YPAMIHDJVQTMBV-UHFFFAOYSA-N 395.802 4.952 0 40 GJAB Cc1cccc(-n2c(C)nnc2SCC(=O)N(c2ccccc2)C(C)C)c1C 6391382 CFNDWWFELUWUIF-UHFFFAOYSA-N 394.544 4.726 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Br)o1 6612433 MEHVONZGZDJCBX-VXGBXAGGSA-N 394.265 4.740 0 40 GJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3cccc(F)c3)c(C)c12 6623864 CKPBQHAKYSAVNJ-UHFFFAOYSA-N 379.387 4.785 0 40 GJAB biogenic COc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2ccccc2)nn1 7444855 MDDOBEHKNQAWPS-UHFFFAOYSA-N 385.876 4.536 0 40 GJAB CC(C)N(CCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(C)C 7989189 OCAOUKCZOAMRTN-UHFFFAOYSA-N 382.426 4.814 0 40 GJAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Oc2ccc(F)cc2)cc1 8344884 PFMQKKGJUGLCSZ-UHFFFAOYSA-N 390.414 4.763 0 40 GJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1c[nH]c2ccccc12 8428058 FQVKHUWKNBQQHZ-AWEZNQCLSA-N 388.496 4.990 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2cccc(Cl)c2)CC1 9063312 URFXOCSGWZVZRN-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Cl)c2cccnc12 12769258 DKJTZIQWSDSNIZ-FQEVSTJZSA-N 391.858 4.791 0 40 GJAB COc1cc(C)c(NC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)cc1OC 12790287 LASIMHXJQSPCMK-GOOCMWNKSA-N 393.574 4.563 0 40 GJAB Cc1ccc(CN(Cc2ccncc2)Cc2cncn2Cc2ccccc2)cc1 13989408 CGHOJGGIVSEAPO-UHFFFAOYSA-N 382.511 4.837 0 40 GJAB CCOc1ccccc1-c1noc(COc2ccc(Br)cc2F)n1 14318049 JWSDSGWDFAEVQY-UHFFFAOYSA-N 393.212 4.616 0 40 GJAB COc1cc(NC(=O)C2(c3cccc(F)c3)CCCC2)c(OC)cc1Cl 15970616 XZQABPHWXZPYRW-UHFFFAOYSA-N 377.843 4.947 0 40 GJAB CC[C@@H](C)NC(=O)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 20573240 ZVUSUSZCVNILHG-CXAGYDPISA-N 384.867 4.577 0 40 GJAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1ccccc1C(F)(F)F 21600146 YYWBPETWDKMLIY-UHFFFAOYSA-N 379.769 4.856 0 40 GJAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1 21787474 DWZHWHUQGHBKBO-HSZRJFAPSA-N 391.515 4.887 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1c(F)cccc1F 22907738 WNOQZRVNRZYNPL-LJQANCHMSA-N 398.478 4.556 0 40 GJAB O=C(COc1ccccc1Cl)Nc1cc(Cl)ccc1OCC(F)(F)F 24771697 UQJNALFCZAWPMO-UHFFFAOYSA-N 394.176 4.952 0 40 GJAB O=C(Nc1nc2c(s1)CCCCC2)c1cnn(-c2ccccc2)c1C1CC1 30627834 BETCWNPUSCOHMT-UHFFFAOYSA-N 378.501 4.727 0 40 GJAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccc(Cl)cc4)ncnc3c2c1 33172542 ZQVQJDHEEYOBRF-UHFFFAOYSA-N 382.876 4.804 0 40 GJAB COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O)cc1OC 33621265 WHJKJQHHFCBZKD-QINSGFPZSA-N 375.424 4.827 0 40 GJAB Cc1ccc(-c2noc(CCCNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 35673434 ZXAJHJQGSXELMG-UHFFFAOYSA-N 377.488 4.705 0 40 GJAB CC(=O)Nc1ccc(NC(=O)N[C@@H](C)CCc2ccccc2)c(C(F)(F)F)c1 40104406 QJQROXJIEPDYFQ-ZDUSSCGKSA-N 393.409 4.807 0 40 GJAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 58345393 YTZXNEHAYCLUNK-UHFFFAOYSA-N 377.341 4.507 0 40 GJAB O=C(CNc1ccccc1Cl)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 63656078 DEHZMTIYQPZEBO-UHFFFAOYSA-N 380.879 4.590 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccccc3OCC)[nH]n2)cc1 72331549 GRLUWIRKRNKDNG-UHFFFAOYSA-N 393.487 4.584 0 40 GJAB CC(C)n1ncc2c1N=C(O)CS[C@H]2c1c[nH]nc1-c1ccc(Cl)cc1 79490069 HVZFYNQRNBLWKF-KRWDZBQOSA-N 387.896 4.932 0 40 GJAB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc3c(c2)OCCO3)S1 85412255 KVCKTHSCGFZRQT-LJQANCHMSA-N 399.516 4.729 0 40 GJAB Cc1ccc(-c2cc(C(=O)N[C@H]3C[C@H]3c3ccccc3OC(F)F)on2)cc1 95960933 AUWFPVSJXOSDOA-RDJZCZTQSA-N 384.382 4.537 0 40 GJAB Cc1sc(NC(=O)c2ccc([S@](C)=O)cc2)nc1-c1ccc2c(c1)CCC2 95962151 XRRPPRZWTHMBQV-HHHXNRCGSA-N 396.537 4.597 0 40 GJAB Cn1ccnc1-c1sc(NC(=O)c2ccncc2Cl)nc1-c1ccccc1 95962828 QYUUTCUWTXFFFY-UHFFFAOYSA-N 395.875 4.511 0 40 GJAB CCOc1ccccc1NC(=S)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423291 GQNWADDWAZLEBY-PMACEKPBSA-N 395.572 4.567 0 40 GJAB Fc1ccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 100424621 WODDXVNEXAQTBY-SFTDATJTSA-N 383.536 4.698 0 40 GJAB CC1CCN(Cc2ccc(NCc3cnc(N4CCC(C)CC4)nc3)cc2)CC1 141532545 XETMBKAFOPNROI-UHFFFAOYSA-N 393.579 4.557 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2cccc(C)c2)ccc1Cl 216387776 XDNWFGGCIVUZHM-SFHVURJKSA-N 375.852 4.621 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)Oc2ccccc2Cl)c1 219056670 DVIUISHOPBQUCW-MRXNPFEDSA-N 375.896 4.644 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 222971488 UTPKTRRMHJKICW-WOJBJXKFSA-N 397.515 4.888 0 40 GJAB CC[C@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc(C)cc1C 223142228 WOSJNNQINDYSRB-QFIPXVFZSA-N 383.513 4.895 0 40 GJAB COc1ccc(-c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(C)n2)cc1 223142349 CKEZMAKOCDDWAF-UHFFFAOYSA-N 387.361 4.732 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 223223581 QAJBLUYOSOUKMY-JOCHJYFZSA-N 394.559 4.568 0 40 GJAB COc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1C(C)C 223265430 LSVOGOHYKOMABW-DYLHUKMJSA-N 381.472 4.746 0 40 GJAB Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C 223488001 SIRJPPKBGNFVKI-PZJWPPBQSA-N 382.523 4.840 0 40 GJAB Cc1cccc(OCCNC(=O)CSCc2ccc(Cl)cc2F)c1C 223968003 PTPBKNXAFLTPNB-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 225702699 VCQRGTXMKFVEMF-SFHVURJKSA-N 383.557 4.691 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCCC1 225707243 CGJZABMEPZAPNN-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1 226040798 YFAGESHSAAANQT-UHFFFAOYSA-N 399.830 4.656 0 40 GJAB COc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)cc1OC 226286632 MNAYWIWLCYUPNB-UHFFFAOYSA-N 386.407 4.672 0 40 GJAB CCOc1ccc2ccccc2c1/C=C1\NC(=S)N(C2CCCCC2)C1=O 409083421 OHZMJXQAUGGXNU-RGEXLXHISA-N 380.513 4.629 0 40 GJAB Cc1ncncc1C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 500377344 OMGJCPXHOOMPKR-UHFFFAOYSA-N 375.215 4.531 0 40 GJAB O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 540092535 XYLGJDTXJYYMPJ-RSPOEFSDSA-N 389.417 4.703 0 40 GJAB O=C1CC[C@H](c2cccc(NC(=O)N[C@@H]3CC[C@H](c4cccc(Cl)c4)C3)c2)N1 563576500 PQCHSRAXYHSOBC-CWFSZBLJSA-N 397.906 4.749 0 40 GJAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@@H](Oc2ccncc2Cl)C1 575611653 FMGKSSYZNNJLBG-QGZVFWFLSA-N 399.853 4.553 0 40 GJAB COc1ccccc1C1(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)CC1 575619205 IQYIIRFYAOANCU-UHFFFAOYSA-N 387.483 4.565 0 40 GJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2OC)sc2c1CC[C@@H](C)C2 941471 UBSHVWWNNDEXPQ-IEZBTEQYSA-N 399.512 4.710 0 40 GJAB Cc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)cc1 1070544 FQGPGOSZPWUMMZ-UHFFFAOYSA-N 375.476 4.552 0 40 GJAB CC1(C)C(C(=O)Nc2cc(Br)cc(Br)c2)C1(C)C 1095778 WZZTYOTWEHGGPP-UHFFFAOYSA-N 375.104 4.832 0 40 GJAB Cc1cccc(-c2cc3nccc([C@H]4CCCN(C(=O)OC(C)(C)C)C4)n3n2)c1 1238256 JJJMPIXDJOTRQU-SFHVURJKSA-N 392.503 4.819 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)c1 1399223 DIVFGLMOHWLHKD-UHFFFAOYSA-N 389.474 4.713 0 40 GJAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccs2)sc1C 2251358 LMPHJRMYGQACCC-MRXNPFEDSA-N 394.477 4.678 0 40 GJAB Cc1cc(C)c(C(=O)COc2cccc(C(=O)NCc3ccccc3)c2)c(C)c1 2623427 BRSZVTUYHNXIPG-UHFFFAOYSA-N 387.479 4.804 0 40 GJAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1cccc2ccccc12 3239194 YMAXITFOBIFJBD-UHFFFAOYSA-N 375.758 4.567 0 40 GJAB CCOC(=O)c1ccc2nc(NC(=O)Cc3cccc4ccccc34)sc2c1 4275341 UHKMEHILXUNCOD-UHFFFAOYSA-N 390.464 4.807 0 40 GJAB COc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1Cl 4554086 IXRZQNHAEAWOAT-QGZVFWFLSA-N 391.924 4.606 0 40 GJAB CCc1cc2ccccc2nc1SCC(=O)Nc1nc2c(s1)CCCC2 4849238 OJJXUXBKGXIWKX-UHFFFAOYSA-N 383.542 4.863 0 40 GJAB NC1=N[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)n2c(nc3ccccc32)N1 4864196 XHRVIJYVANHSIO-IBGZPJMESA-N 389.846 4.769 0 40 GJAB COc1ccccc1NC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 5256083 NCDOZVIKSLUTMU-HXUWFJFHSA-N 381.863 4.787 0 40 GJAB CC1(C)[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@]1(C)C(=O)O 5482337 XOJYXJUCLVCFID-AUSIDOKSSA-N 381.472 4.731 0 40 GJAB Cc1sc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)nc1-c1ccccc1 6389796 DWKBBOPTVCQFTH-UHFFFAOYSA-N 389.480 4.833 0 40 GJAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1 6531373 ORPPBRLNDWBOBX-UHFFFAOYSA-N 394.496 4.591 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 6649422 HIIWSCXEWGOMFL-UHFFFAOYSA-N 376.909 4.601 0 40 GJAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1ccccc1)Cc1ccco1 6811429 QMSSPNWGHPNEEB-UHFFFAOYSA-N 393.826 4.882 0 40 GJAB c1ccc(-n2c(SCc3nc(-c4ccsc4)no3)nnc2C2CC2)cc1 7171836 DLHKIPVBHCBTRH-UHFFFAOYSA-N 381.486 4.549 0 40 GJAB Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(F)cc3s2)cc1C 11073754 AMRVPNBBPUNVEX-KRWDZBQOSA-N 384.476 4.878 0 40 GJAB CC[C@H](C)[C@@H](C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1)c1ccccc1 12073345 FEDAQJVYSMDQQB-KSFYIVLOSA-N 380.488 4.590 0 40 GJAB COC(=O)c1ccc(CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 12176760 YHMTUBBDKNVEOJ-UHFFFAOYSA-N 394.374 4.834 0 40 GJAB CCc1nc(SC[C@@H](O)c2ccccc2)nc(N)c1-c1ccc(Cl)cc1 12521599 KSEXYBDZBHMTCU-QGZVFWFLSA-N 385.920 4.767 0 40 GJAB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)c1 12800816 UXDGCIPBXRUWLO-INIZCTEOSA-N 386.300 4.528 0 40 GJAB Cc1ccc(OCc2nc(C(=O)N(C)c3nc4ccccc4s3)cs2)cc1 12923919 YFZSSUHAYNHJFD-UHFFFAOYSA-N 395.509 4.917 0 40 GJAB O=c1cc(-c2ccccc2)c2cc(Br)cc(Br)c2[nH]1 13402401 WYLXCPCRSVGBMF-UHFFFAOYSA-N 379.051 4.720 0 40 GJAB CC(C)(C)OC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 14013457 AIVZJIRPIZHOSE-UHFFFAOYSA-N 381.403 4.539 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 14404857 YTUFMRLKOQZPJV-UHFFFAOYSA-N 390.487 4.726 0 40 GJAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(F)cc2)o1 15881501 IDEGKKKPHPFTCI-UHFFFAOYSA-N 378.407 4.593 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc1 16890740 XQQOFHNANMPROS-UHFFFAOYSA-N 386.860 4.928 0 40 GJAB COc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 16973093 BJOOFVCINRVBJM-UHFFFAOYSA-N 386.451 4.541 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c1 17026276 CXXRTPZKMJTXOZ-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB Cc1ccc(-c2nnc([C@H](C)N3CCN(Cc4cccc(Cl)c4)CC3)o2)cc1 22025281 ISJXCTZHVQJFFJ-KRWDZBQOSA-N 396.922 4.577 0 40 GJAB COc1ccc(CN(C)C(=O)C2c3ccccc3Oc3ccccc32)cc1F 23734609 PWWCGBQTTLDLBT-UHFFFAOYSA-N 377.415 4.731 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 25159316 IWYMLQLFOSTFRV-FQEVSTJZSA-N 391.858 4.853 0 40 GJAB Cc1csc(=O)n1CCCC(=O)Oc1ccc(-c2ccccc2)cc1Cl 26369467 CGNXZIGIPZFLNJ-UHFFFAOYSA-N 387.888 4.924 0 40 GJAB CC(C)c1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1 27664329 BDPQHQDPQXKJQE-UHFFFAOYSA-N 378.447 4.956 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 30855381 YILWWFACGUFKCL-IBGZPJMESA-N 392.927 4.699 0 40 GJAB COc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cnccc4o3)c2)c1 32105008 NLTMZJLPTPBUAW-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB Cc1nc2ccccc2nc1CSCCC(=O)Nc1ccc(Cl)cc1F 32778717 YTJIDEXAUWCLRW-UHFFFAOYSA-N 389.883 4.993 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1N1CCCC1 33665498 FUCKLWRKGBTORN-UHFFFAOYSA-N 379.287 4.920 0 40 GJAB CC(C)N1C(=O)S/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 33745755 MUMKPGHRPUAFAS-GDNBJRDFSA-N 380.391 4.941 0 40 GJAB COc1ccc2cc(CNC(=O)CCSCc3csc(C)n3)ccc2c1 40069834 AHLLADPIFAHLJT-UHFFFAOYSA-N 386.542 4.553 0 40 GJAB O=C(NCc1ccccc1C(F)(F)F)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478419 CRVPYTNJECRLBU-UHFFFAOYSA-N 379.769 4.679 0 40 GJAB CC[C@@H](C)c1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c(Cl)c1 42783112 PKAWENJHBBXUSC-INWMFGNUSA-N 397.899 4.695 0 40 GJAB Cc1nc(CSc2ccccc2C(=O)Nc2cccc3c2CCCC3)no1 45851759 RGRRMNPFVPMQCY-UHFFFAOYSA-N 379.485 4.801 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3nc4ccc(C)cc4s3)no2)cc1OC 46086656 NTPUJGWOZZOQPC-UHFFFAOYSA-N 395.440 4.529 0 40 GJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 59227343 NXYIBTNVGYNHKL-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB O=C(CCSc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 59244611 FMAHEZQZNSHPIW-UHFFFAOYSA-N 394.462 4.536 0 40 GJAB O=C(c1ccccc1)N1CCC[C@](CCCO)(c2ccc(Cl)c(Cl)c2)C1 91301948 ZVXIJDOZQZFOAZ-OAQYLSRUSA-N 392.326 4.940 0 40 GJAB O=C(c1ccc(Cl)cc1)n1nccc1-c1ncc(C(F)(F)F)cc1Cl 91695653 BPPCRPLRFLOUFW-UHFFFAOYSA-N 386.160 4.959 0 40 GJAB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/Nc1ccc(SC(F)F)cc1 111912642 ZZFSZMNPVNCNOV-PXLXIMEGSA-N 394.834 4.845 0 40 GJAB COc1ccc(C(=O)NCc2ccccc2)cc1COc1cc(C)cc(C)c1 224190102 LLCSEPXGWJPNEK-UHFFFAOYSA-N 375.468 4.821 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1Cl 224201479 COQJETVONHSGMF-UHFFFAOYSA-N 394.858 4.531 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NC1CCCC1 224489157 OUQFFEHKIQAFCJ-SFHVURJKSA-N 399.362 4.960 0 40 GJAB CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225053770 ZUHDFPYDRIVVCW-UHFFFAOYSA-N 375.877 4.717 0 40 GJAB COc1ccc(NC(=O)CCc2ccc(-n3nc(C)cc3C)cc2)cc1Cl 225604999 QZQFKDBIAMLJOT-UHFFFAOYSA-N 383.879 4.722 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)cc1C(=O)OCC 225821858 PCPNUCCIXKQXMG-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1conc1-c1ccccc1 225869514 KOXJVDBJLMKVCQ-LBPRGKRZSA-N 383.245 4.696 0 40 GJAB CCc1cc(Br)cc(CC)c1NC(=O)c1cc(OC)cc(OC)c1 226093164 JHWKUDFRJFBBGB-UHFFFAOYSA-N 392.293 4.843 0 40 GJAB O=C(NCc1ccnc(-c2cccs2)c1)c1ccc(OC(F)(F)F)cc1 238839883 HPOCLOMGFDXFKH-UHFFFAOYSA-N 378.375 4.639 0 40 GJAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 257210929 BWTFDTSWIVVRHO-CMDGGOBGSA-N 387.483 4.773 0 40 GJAB O=C(O)c1cccc2c1N[C@H](c1ccc3c(c1)OCO3)[C@H]1Cc3ccccc3[C@H]21 408994417 FXETWQSUGKXKEZ-VLCRHTCISA-N 385.419 4.585 0 40 GJAB O=C(N[C@H](Cc1ccccc1)c1ncco1)N[C@H]1C[C@H](c2ccccc2Cl)C1 654575648 IIJJSQCWPCRATQ-MBOZVWFJSA-N 395.890 4.857 0 40 GJAB Cc1cc(C(=O)N[C@@H](C)c2cc(Cl)cc3c2OCC3)cc(C)c1OC(F)F 1538573333 FYPDUITYNNILBW-LBPRGKRZSA-N 395.833 4.984 0 40 GJAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3ccc(Cl)cc3)n12 877108 OMNLRTIZWJRSCV-UHFFFAOYSA-N 396.903 4.884 0 40 GJAB Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(Cl)c1 883459 LIUANLHBFOHLCW-UHFFFAOYSA-N 398.846 4.820 0 40 GJAB O=C(NCc1ccc(F)cc1)c1cc2sccc2n1Cc1ccc(F)cc1 1324367 KZLMIRZPGOCMEH-UHFFFAOYSA-N 382.435 4.959 0 40 GJAB CC(C)CN(C(=O)CCc1ccccc1)c1nnc(-c2cccc(F)c2)s1 1345499 AHRJEBKYAHDEDD-UHFFFAOYSA-N 383.492 4.966 0 40 GJAB O=C(c1cccc(Cl)c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1359806 GDGCQTRJWZNMDQ-OAHLLOKOSA-N 385.826 4.549 0 40 GJAB C[C@@H]1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2N1C(=O)c1ccccc1 1381823 HUCSZHXNBPCDPM-MRXNPFEDSA-N 390.870 4.922 0 40 GJAB COc1cc(OC)cc(-n2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)c1 2212513 SYMYNFNZNKVBAS-UHFFFAOYSA-N 396.450 4.961 0 40 GJAB COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 3263832 YPUMLBZTDHDYAT-DJTWPOEFSA-N 394.254 4.586 0 40 GJAB Cc1cc(C)cc(C(=O)OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 3401836 LXIMPJYMYPKFLM-CYBMUJFWSA-N 380.271 4.644 0 40 GJAB CSc1ccc(C(=O)CCC(=O)OCc2ncc(-c3ccccc3)o2)cc1 5918747 BHCNZEMBPGYOOD-UHFFFAOYSA-N 381.453 4.770 0 40 GJAB CCCCC(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 5946074 SBDFQZYZBFDZHK-UHFFFAOYSA-N 383.473 4.512 0 40 GJAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2ccc(Cl)cc2)n1 6464121 UNGCOFPGVYJPEW-UHFFFAOYSA-N 394.283 4.762 0 40 GJAB Cc1sc2nc(SCC(=O)c3ccc4ccccc4c3)n(C)c(=O)c2c1C 6527610 PWKBETCQDDJPDH-UHFFFAOYSA-N 394.521 4.740 0 40 GJAB CCSc1nc(NCc2ccncc2)c2sc3c(c2n1)COC(C)(C)C3 6673335 BUDSVFRULWGRQM-UHFFFAOYSA-N 386.546 4.662 0 40 GJAB Cc1cccc(N(Cc2ccccc2)C(=O)COc2ccc(-c3nnco3)cc2)c1 6879798 AYXRWPSRDLYBPL-UHFFFAOYSA-N 399.450 4.657 0 40 GJAB Cc1c(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)oc2c1ccc1ccccc12 7156841 SPZSWFHZLCRGOJ-QEEYODRMSA-N 393.483 4.992 0 40 GJAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCCCCC2)cc1 7270692 ISQRNDJBNDUVLT-HXUWFJFHSA-N 399.560 4.522 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccccc2Cc2ccccc2)CC1=O 7398683 NTUAZVSOGCTOPV-WMZHIEFXSA-N 398.506 4.826 0 40 GJAB CCn1c(SCc2csc(COc3ccc(F)cc3)n2)nnc1C1CC1 7841295 ZQQAHAFBSMCRSQ-UHFFFAOYSA-N 390.509 4.642 0 40 GJAB CCCCCCn1nc(C(=O)Nc2ccc(C)c(C)c2)c2ccccc2c1=O 8037369 MMIKUDHCDYCWGQ-UHFFFAOYSA-N 377.488 4.846 0 40 GJAB Cc1ccn2c(NC(=O)CCc3c(C)noc3C)c(-c3cccs3)nc2c1 8230317 OQBDAHJSCQASDI-UHFFFAOYSA-N 380.473 4.547 0 40 GJAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1 8379092 ZMWWCYPCFKQAPD-UHFFFAOYSA-N 386.178 4.693 0 40 GJAB CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 8992108 NDARNUNVWAZQCT-YOEHRIQHSA-N 383.923 4.679 0 40 GJAB C[C@H](CNC(=O)CCc1c[nH]c2ccccc12)c1nc2ccccc2n1C(F)F 10638914 VGXFZJNSZMAEFY-CQSZACIVSA-N 396.441 4.765 0 40 GJAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(-c3cccnc3)o2)cc1 11364182 UIUXCAQSMJYXKV-UHFFFAOYSA-N 388.452 4.676 0 40 GJAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@@H](c1cc(F)ccc1F)O2)CCC3 11866492 WAJGRBBPAYTMRD-KRWDZBQOSA-N 382.362 4.575 0 40 GJAB C[C@@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccc(F)cc3)c2c1=O 11990630 LKJRWXHLUGUPIC-ZDUSSCGKSA-N 378.428 4.708 0 40 GJAB COC(=O)c1cc(NC(=O)C2c3ccccc3Oc3ccccc32)c(F)cc1F 12800267 DFWAVPCUYSKLJQ-UHFFFAOYSA-N 395.361 4.628 0 40 GJAB COc1ccc(C)cc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12982264 APZMSAITUVCDQM-QHCPKHFHSA-N 392.524 4.651 0 40 GJAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1cccs1 13142847 RPGASFVGBMBKCI-UCNVEGJOSA-N 385.529 4.655 0 40 GJAB COC(=O)[C@H](Sc1nnc(Nc2cccc(Cl)c2)s1)c1ccccc1 13165321 UMKXOESSROFTAG-CQSZACIVSA-N 391.905 4.942 0 40 GJAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 13709156 IACDCLLJDPOMMH-SFHVURJKSA-N 379.525 4.965 0 40 GJAB O=c1c2oc3nc(-c4ccco4)c4c(c3c2ncn1Cc1ccccc1)CCCC4 13720182 KEDWEPQLNUAICC-UHFFFAOYSA-N 397.434 4.725 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)cc1F 15585803 HGRRDOOZACYQBW-UHFFFAOYSA-N 384.842 4.716 0 40 GJAB O=C(CCc1csc2nc(-c3ccccc3)cn12)NCc1ccccc1Cl 16848758 PDUHLRBJYMGSPQ-UHFFFAOYSA-N 395.915 4.965 0 40 GJAB CC[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1c(C)nn(CC)c1C 19663490 VAIBZYICVFMWCX-LJQANCHMSA-N 376.504 4.827 0 40 GJAB CCOC(=O)c1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1Cl 20482346 ZXBHSYKTXRJONC-UHFFFAOYSA-N 396.270 4.804 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 20609938 DMSRNLHYQOCHNM-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB O=C(COc1ccccc1Cl)NC[C@@H](c1cccs1)N1CCCCCC1 27662769 WRNJTMBQPMJLJD-KRWDZBQOSA-N 392.952 4.514 0 40 GJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccccc1C(=O)c1ccccc1 28093338 NVWSKMKTNOHMFO-UHFFFAOYSA-N 398.506 4.790 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 28184220 RACKOELSZBAHOT-UHFFFAOYSA-N 397.327 4.921 0 40 GJAB CC(=O)c1c(N2CCN(C)CC2)nc2ccc(Cl)cc2c1-c1ccccc1 35684081 YXVSVPUIVRYSFD-UHFFFAOYSA-N 379.891 4.510 0 40 GJAB C[C@@H](NC(=O)c1cc(F)ccc1Br)c1cccc(OC(F)F)c1 36392975 KIQSKSQYPDYAQQ-SECBINFHSA-N 388.183 4.681 0 40 GJAB C[C@@H](Cc1ccccc1Cl)NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 40112105 JQSANMWMOBZXSW-LBPRGKRZSA-N 389.883 4.688 0 40 GJAB Cc1csc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)n1 40140205 KIHNVRKQDUEQOY-UHFFFAOYSA-N 390.262 4.654 0 40 GJAB CCCn1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1=O 40146315 WBIIUFLJOLZSKH-UHFFFAOYSA-N 383.451 4.726 0 40 GJAB C[C@H]1CCC[C@@H](n2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)[C@@H]1C 40396596 KZAQLJAAZKBOPK-BXTJHSDWSA-N 390.462 4.848 0 40 GJAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1 48235168 GBEYAZFKIGSGET-SFHVURJKSA-N 386.517 4.750 0 40 GJAB COc1ccc([C@H](C)NC(=O)Nc2ccccc2-n2nc(C)cc2C)cc1F 48345427 KFQBFJUJZNOCIM-HNNXBMFYSA-N 382.439 4.520 0 40 GJAB Cn1ccc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)n1 58201396 XPAOWAQNPPQYHU-UHFFFAOYSA-N 399.475 4.516 0 40 GJAB O=C(c1cnn(-c2ccccc2F)c1)N1CCC[C@H]1Cc1ccccc1Cl 58835160 JZNFMVUBAJBHIF-KRWDZBQOSA-N 383.854 4.512 0 40 GJAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1cccc(Br)c1 63790237 HWOUCQOAMTUTEG-ZDUSSCGKSA-N 379.323 4.511 0 40 GJAB CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)no1 65402462 DUZXKKASHJYDKY-UHFFFAOYSA-N 398.532 4.736 0 40 GJAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)c(C)c2)n1 67297811 NVHZCNSDHHOIOX-LCUIJRPUSA-N 399.450 4.943 0 40 GJAB CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2c(C)cccc2[nH]1 72320965 GTGQDMHPXDOIIM-UFYCRDLUSA-N 379.548 4.795 0 40 GJAB biogenic,in-vitro C[C@@H](CCc1ccccc1)NC(=O)c1cn[nH]c1-c1cccc(Br)c1 72329081 IRZXHKOQVWTIAD-AWEZNQCLSA-N 398.304 4.590 0 40 GJAB Cc1c(Br)c(N)c(Br)c2nc(Cc3ccccc3)oc12 73639360 AFJBIXWKPJDWNU-UHFFFAOYSA-N 396.082 4.834 0 40 GJAB Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 98072730 BBSFURDFMDRZPF-UHFFFAOYSA-N 394.212 4.577 0 40 GJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3C)CC2)n1 100739102 RRBUUIJRULOWSN-RAUXBKROSA-N 392.547 4.708 0 40 GJAB Cc1c(C(=O)NCCc2cn(C)c3ccc(F)cc23)n(C)c2ccc(Cl)cc12 141598068 KEVCRCUCVDQXNU-UHFFFAOYSA-N 397.881 4.743 0 40 GJAB O=C(c1ccc(OC(F)(F)F)cc1)N(CCc1cccs1)C1CCOCC1 206677167 QXOKDPKZBKXGHP-UHFFFAOYSA-N 399.434 4.511 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 219025648 ZUQZEUDTKHABQF-SFHVURJKSA-N 377.484 4.755 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 222908158 BSPGXDVQAVYLMN-FQEVSTJZSA-N 383.488 4.957 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc(OC)c(OC)c1 222913212 LXRQIXOXBQPPJH-FQEVSTJZSA-N 399.531 4.518 0 40 GJAB Cc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)c(I)c1 225024841 PYZPWHFNWBVPHT-CQSZACIVSA-N 393.268 4.707 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(N2CCCC2=O)cc1 225356167 QVZSPBGORZCXGJ-UHFFFAOYSA-N 377.271 4.692 0 40 GJAB COCCNC(=O)c1ccc(Nc2ccccc2Sc2ccccc2)c(N)c1 225447251 JGIBAJFZANFAMH-UHFFFAOYSA-N 393.512 4.540 0 40 GJAB CCc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccccc3)c3ccccc32)cc1 226820000 YVHMHQQPYPRIER-UHFFFAOYSA-N 383.451 4.727 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CCC(Cc3nccs3)CC2)cc1 257250052 JKUUYHLRJIKCFA-UHFFFAOYSA-N 392.524 4.963 0 40 GJAB Cc1ccc(-c2ccc(OC(=O)c3ccc(Br)cc3)nn2)cc1C 408532359 XGOLNDAUSJVTCM-UHFFFAOYSA-N 383.245 4.742 0 40 GJAB COc1ccccc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408674898 DTWKXMIPWLFFJR-UHFFFAOYSA-N 388.398 4.575 0 40 GJAB S=C1N2N=C(c3ccccc3)SC2=N[C@H](c2ccco2)N1c1ccccc1 408720947 BSHWFQKMBNWXEC-KRWDZBQOSA-N 390.493 4.850 0 40 GJAB O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1 408764372 RJQDKEQZMKKPNR-UHFFFAOYSA-N 395.256 4.954 0 40 GJAB Cc1cc(C)n([C@H](CNC(=O)c2ccccc2C(F)(F)F)c2cccs2)n1 585148160 SCTJJZCSXDCCGH-MRXNPFEDSA-N 393.434 4.600 0 40 GJAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1cc2cc(F)ccc2s1 585149385 NAJOACDTTNLMHQ-SFHVURJKSA-N 375.490 5.000 0 40 GJAB CCOc1ccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)cc1 1615118435 FNCQBEYCLYSQDV-XMMPIXPASA-N 396.506 4.888 0 40 GJAB CSc1nc(Oc2cccc3ccccc23)cc(-n2ncc(C(C)=O)c2C)n1 633047 XWNQHEZRLZTJTM-UHFFFAOYSA-N 390.468 4.841 0 40 GJAB CCOc1ccc2cc3c(N)c(C(=O)Nc4ccc(OC)cc4)sc3nc2c1 891604 RFEINMNZWPACGU-UHFFFAOYSA-N 393.468 4.691 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccco1 2440784 JGCNGSUDIBUJGZ-LJQANCHMSA-N 391.810 4.785 0 40 GJAB Cc1cccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)c3ccccc3n2)c1 2742263 PLIIPGYPZSPCOI-UHFFFAOYSA-N 381.435 4.561 0 40 GJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)cc3)oc12 2951368 ITFQNDRULOEPOB-ATJXCDBQSA-N 391.452 4.691 0 40 GJAB O=S1(=O)c2cccc3cccc(c23)N1Cc1csc(-c2ccccc2)n1 3271851 QOXPPXFCTWSBRD-UHFFFAOYSA-N 378.478 4.672 0 40 GJAB Cc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccccc2)c1C 3428945 VJBPXZRFNICZKI-HSZRJFAPSA-N 384.479 4.509 0 40 GJAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccco4)ccc3oc2=O)cc1 4340718 NLOZXBOBPQHLAJ-UHFFFAOYSA-N 376.364 4.589 0 40 GJAB biogenic CC(C)c1ccc([C@@H]2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)cc1 4459134 BWKIEAVKQZWAFM-IBGZPJMESA-N 383.451 4.577 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2N=C3CCCCC[C@H]3[C@]2(O)C(F)(F)F)cc1 4673051 OHLBUEFLBNSUHL-BEFAXECRSA-N 382.426 4.627 0 40 GJAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(N3CCc4ccccc4C3)ncc21 4777134 CZNPTYIMVUBLMX-SFHVURJKSA-N 389.886 4.605 0 40 GJAB CCC(CC)C[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)CC 5063200 XQDQBYIIIBVIBX-GREBRCKQSA-N 375.553 4.590 0 40 GJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(OC)c2)cc1 5164635 JMSLMZDZXIQXOY-LADGPHEKSA-N 386.451 4.946 0 40 GJAB CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2s1 5535548 PRTCCFWURKOLRW-UHFFFAOYSA-N 378.906 4.998 0 40 GJAB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(F)cc3)cc1)S[C@@H](C)C(=O)N2 6678731 ZCCYFIBSOUBXEV-DJJJIMSYSA-N 397.475 4.599 0 40 GJAB Cn1c(SCC(=O)C(C)(C)C)nc2scc(-c3ccc(F)cc3)c2c1=O 6906068 FROXDRACVMKEOA-UHFFFAOYSA-N 390.505 4.508 0 40 GJAB O=C(c1ccc(F)cc1)c1ccc(OCc2nc(-c3cccs3)no2)cc1 7155890 YQVAIVIAJLKJLY-UHFFFAOYSA-N 380.400 4.747 0 40 GJAB O=C(CSCc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 8793928 JGSPWZYLNSTTCY-UHFFFAOYSA-N 375.906 4.730 0 40 GJAB COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 9063207 UVFSWVHXASQMMJ-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9335683 JCWVYKKLNWYHRO-QGZVFWFLSA-N 383.513 4.766 0 40 GJAB Oc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 10215383 PZVFKUIUSYFCLE-TZIWHRDSSA-N 377.831 4.683 0 40 GJAB O=C(CCc1ncc(-c2ccccc2)o1)NCCOc1ccc2ccccc2c1 10310488 AKTQEFKCWYIXEB-UHFFFAOYSA-N 386.451 4.623 0 40 GJAB CCCn1c(SCC(=O)N[C@H](C)c2ccco2)nc2cc(Cl)ccc21 11235551 JVALVIMYQNWNSY-GFCCVEGCSA-N 377.897 4.662 0 40 GJAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc2ccc(F)cc2s1 11807643 IAOKJYKTJMVXBP-UHFFFAOYSA-N 385.395 4.801 0 40 GJAB CSc1ccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 12039442 ATZCWWMYNUWESS-UHFFFAOYSA-N 384.530 4.667 0 40 GJAB CC(C)C(=O)N1CCCc2cc(-c3csc(NC(=O)C4CCCC4)n3)ccc21 12220052 XFPNYCXQFIKDNB-UHFFFAOYSA-N 397.544 4.874 0 40 GJAB CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccc(OC)cc1)CC3=O 12296437 ZLUDFHBHGTZXNQ-SFHVURJKSA-N 378.424 4.769 0 40 GJAB biogenic O=C(NCc1ccc(Cn2ccnc2)cc1)Nc1ccc(Cl)c(Cl)c1 12602686 OIBXUAOARBZFAL-UHFFFAOYSA-N 375.259 4.560 0 40 GJAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCC(C)C)CC2=O)c1 12637278 YJYFUEFUUNWAMP-KRWDZBQOSA-N 377.488 4.612 0 40 GJAB COc1ccc(/C=C2\CCC[C@@H]3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 13122042 GOZPBMCCEGQPIM-VYWMGKBGSA-N 392.524 4.958 0 40 GJAB COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccco4)ccc3c2C)c1 15729339 UXHHYIZMIOSRFP-UHFFFAOYSA-N 375.380 4.826 0 40 GJAB biogenic O=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc(Cl)c(Cl)c1 17204091 KVISETKMQXZAIW-UHFFFAOYSA-N 391.283 4.576 0 40 GJAB Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(C4CCCC4)C[C@H]23)c1 19235241 XQPZGVQMZXPHAJ-WXFUMESZSA-N 380.576 4.744 0 40 GJAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCCN2Cc2ccnc3ccccc23)n1 19691039 JCEPYWVKCAIMCG-XMMPIXPASA-N 395.510 4.920 0 40 GJAB CCOc1cc(OCC)cc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 20143334 JEXWWRJAVFLQCH-UHFFFAOYSA-N 398.242 4.741 0 40 GJAB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)N(C)c2ccccc2)n1 21524736 ICVDTFQAMNKPHD-UHFFFAOYSA-N 399.450 4.754 0 40 GJAB CCN(CC)Cc1ccccc1CNC(=O)Cc1csc(-c2ccsc2)n1 21960980 JYASQFBYLRIRRO-UHFFFAOYSA-N 399.585 4.572 0 40 GJAB O=C(CSc1nnc(NC2CCCCC2)s1)N(C1=CCCCC1)C1CC1 21985872 MZNNPILGCKDSIX-UHFFFAOYSA-N 392.594 4.824 0 40 GJAB CN1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 23153874 MIXPWBDMUUWKJR-UHFFFAOYSA-N 395.509 4.858 0 40 GJAB COc1cc(C(=O)N[C@H]2CCOc3ccccc32)cc(Cl)c1OCC(C)C 24647403 FWBQNJRMTGLKCJ-KRWDZBQOSA-N 389.879 4.637 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)C3CC3)c3cnn(C(C)C)c3n2)cc1 24715967 VMRMQSVGVUGXSJ-INIZCTEOSA-N 376.504 4.858 0 40 GJAB Cc1nn(C)c(=O)c(-c2nc(-c3ccc4c(c3)-c3ccccc3C4)cs2)c1C 25043026 YZUZLHSIGMBSTK-UHFFFAOYSA-N 385.492 4.759 0 40 GJAB O=C(NCCc1cccs1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 25842630 FJVDNVBTAXCONJ-UHFFFAOYSA-N 399.825 4.579 0 40 GJAB O=C(c1ccccc1Cl)c1cc(Cl)ccc1I 26898283 AUYLAKLVTLNZJE-UHFFFAOYSA-N 377.008 4.829 0 40 GJAB O=C(Cn1cccc(C(F)(F)F)c1=O)c1c(-c2ccccc2)[nH]c2ccccc12 27064185 MEQBBRBVXRITCD-UHFFFAOYSA-N 396.368 4.898 0 40 GJAB C[C@@H](OC(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1 32744893 KIAGJBASDCAFTE-LLVKDONJSA-N 384.284 4.656 0 40 GJAB Clc1cccc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)c1 33298184 PXCQISPBCSTIQS-UHFFFAOYSA-N 397.843 4.833 0 40 GJAB CC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36365637 LAEXHYQEYMXCEI-JOCHJYFZSA-N 390.527 4.906 0 40 GJAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 36452010 ZIXBKPQLKIAYNQ-SJORKVTESA-N 394.490 4.685 0 40 GJAB O=C(/C=C/c1cc2cccc3c2n(c1=O)CCC3)Nc1ccc2ccccc2c1 36625775 IRCYNXGMOAMRGN-ACCUITESSA-N 380.447 4.753 0 40 GJAB Cc1ccc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1 39772654 MYSKLEGNPAXCTL-UHFFFAOYSA-N 387.321 4.608 0 40 GJAB COc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2c1 40949356 PCNSPWZLHFTDPH-UHFFFAOYSA-N 397.736 4.726 0 40 GJAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccc3ncccc3c2)s1 43277873 ZICZQMXNQXRUEP-UHFFFAOYSA-N 376.529 4.894 0 40 GJAB O=C(NC1CCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078757 ZYDLAWDAITWXKV-UHFFFAOYSA-N 382.891 4.605 0 40 GJAB CCCOc1c(Cl)cc(CN[C@@H](Cn2ccnc2)C(C)(C)C)cc1OC 48302021 XDMJCQUSFAXGAS-SFHVURJKSA-N 379.932 4.538 0 40 GJAB C[S@@](=O)C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1 72301694 PCCVNMSMHVOKTI-PIKZIKFNSA-N 387.508 4.829 0 40 GJAB CCCCOc1ccccc1-c1cc(C(=O)N[C@H]2CCc3ccccc32)[nH]n1 72331607 FNALCNOTSBORCF-IBGZPJMESA-N 375.472 4.673 0 40 GJAB COc1ccc(CCC(=O)N[C@@H](Cc2cccc(O)c2)c2ccccc2)cc1F 83953134 CLBQTQYKMPBCDL-QFIPXVFZSA-N 393.458 4.573 0 40 GJAB CC(C)c1cc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c2ccccc2n1 84622438 PPPQWKNQQDFQOF-UHFFFAOYSA-N 388.446 4.613 0 40 GJAB Clc1cccc(-c2nc3c(c(N4CCC[C@H]4c4ncc[nH]4)n2)CCCC3)c1 95467585 PTBWAMTXTNJUPL-SFHVURJKSA-N 379.895 4.740 0 40 GJAB CCOc1cc2c(cc1NC(=O)/C=C\c1cc(C)n(C3CC3)c1C)O[C@@H](C)C2 96926063 PHNGAGMGRBJCMD-AJHXJQRKSA-N 380.488 4.814 0 40 GJAB COc1ccccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1c(Cl)cc(Cl)cc12 101352998 MTQZRNRNQWHEAX-SCLBCKFNSA-N 379.243 4.772 0 40 GJAB COc1cccc2c1O[C@@]1(C)[C@H](C)[C@H]2NC(=S)N1c1cccc(SC)c1 101390523 POGWQUQWPQMAKK-XSXHMXBXSA-N 386.542 4.598 0 40 GJAB Cc1ccc2cc(COC(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)c(Cl)nc2c1C 102408825 LSVBLVFRZCLGBG-SNTCSEMISA-N 399.918 4.880 0 40 GJAB 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[C@]12C 118924268 HZUUHCXBSGFHDC-QTLDOONUSA-N 376.537 4.750 0 40 GJAB COc1ccccc1CCCNC(=O)c1cccc(OCc2ccccc2)c1 218977762 OORGITAPWBBXLY-UHFFFAOYSA-N 375.468 4.637 0 40 GJAB C[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccc(F)cc1 219470413 FQJCOGDIAHWLPY-HNNXBMFYSA-N 376.431 4.597 0 40 GJAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223372505 BXMMCNJBNSKWGS-RTWAWAEBSA-N 376.529 4.637 0 40 GJAB CC[C@H](CNC(=S)Nc1ccc(OC)c2ncccc12)Cc1ccccc1 225634287 ZBDMGWRCLDDBEW-INIZCTEOSA-N 379.529 4.799 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccc(C)cc1 225640487 CHJMEGKPMWNVST-WZONZLPQSA-N 381.516 4.615 0 40 GJAB COc1cc(C)c(C(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1C(C)C 225670560 DLAJEYVUFUFBLF-UHFFFAOYSA-N 393.487 4.758 0 40 GJAB O=C(c1ccc(-c2ccsc2)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 225685460 XETWOSKRFAVNSL-QHCPKHFHSA-N 388.536 4.688 0 40 GJAB Cc1ncoc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257338608 YYECEYVLVBRLGQ-KRWDZBQOSA-N 385.851 4.583 0 40 GJAB O=C(c1ccc(Cl)cc1Cl)N1CCC(N2CCc3ccccc3C2)CC1 408609083 NVDMYEXESWFIGU-UHFFFAOYSA-N 389.326 4.656 0 40 GJAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 585293245 SPIMIXQJHZPELF-JNCYCUAHSA-N 399.498 4.609 0 40 GJAB C[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)[C@@H]1CCOC1 607847760 IPZFBJONDVTWTJ-GDBMZVCRSA-N 398.453 4.587 0 40 GJAB C[C@H]1COCC[C@@H]1c1noc(C2(c3cccc(OC(F)(F)F)c3)CCC2)n1 656019686 MTCBYIMJPFEPHX-WFASDCNBSA-N 382.382 4.578 0 40 GJAB Cc1cc(C(=O)N2C[C@H](C)c3ccccc32)nn1-c1cccc(C(F)(F)F)c1 1129916793 MSFSCFBNMFKLSZ-ZDUSSCGKSA-N 385.389 4.963 0 40 GJAB COc1ccc(-c2nc([C@@H]3CC=CCC3)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547200824 IUYJWVABOYHBNI-OAHLLOKOSA-N 378.428 4.543 0 40 GJAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCC3)cc12 880544 XMFLHIMWQZFVOV-UHFFFAOYSA-N 395.547 4.932 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccccc2Br)sc(C)c1CC 995884 HXBMWYSMMZNSRA-UHFFFAOYSA-N 396.306 4.810 0 40 GJAB Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc4c5c(cccc35)CC4)cc2)o1 1427387 MEHBWCLECSPYIQ-UHFFFAOYSA-N 390.464 4.703 0 40 GJAB OCCNCCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 1629220 OUGZFJVFHAPYBT-WCWDXBQESA-N 393.914 4.803 0 40 GJAB Cc1cccc(-c2nsc(SCC(=O)Nc3ccc(Cl)cc3)n2)c1 2917521 VMFBZULTIQSPCZ-UHFFFAOYSA-N 375.906 4.898 0 40 GJAB O=[S@@](Cc1cc(N2CCCC2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 3104521 IBXXFWUXBFEXJI-HHHXNRCGSA-N 397.931 4.705 0 40 GJAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cccc(Cl)c1 3221178 CIEZSWMVGOUKIL-GOSISDBHSA-N 394.298 4.881 0 40 GJAB Cc1c(C2=CC[C@H](C)CC2)c2ccccn2c1C1=NS(=O)(=O)c2ccccc21 3237138 ZYTWDOTYCBQWFK-HNNXBMFYSA-N 390.508 4.991 0 40 GJAB Cc1nc(SCC(=O)NC(C)(C)C)c2c(-c3cccs3)csc2n1 3328329 LKUJRCRMJTVDEE-UHFFFAOYSA-N 377.560 4.735 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccccc1Cl 3361550 MQKGXIFZJKPPDX-UHFFFAOYSA-N 388.298 4.785 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc4c(s3)CCCC4)n2)cc1 3438323 YMPMAUDVIDODFT-UHFFFAOYSA-N 397.525 4.961 0 40 GJAB COc1ccc(OC)c(-c2nc(Nc3ccccc3C)sc2CC(=O)O)c1 3651676 INCBJDLOUPZJHB-UHFFFAOYSA-N 384.457 4.506 0 40 GJAB aggregator O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccc(F)c(F)c1 4341927 XZWRFQAXUOFAOF-UHFFFAOYSA-N 391.830 4.803 0 40 GJAB CCCCN(C)C(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 4552825 ALJGMAYETVKWCM-UHFFFAOYSA-N 394.559 4.736 0 40 GJAB CCOc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)O[C@@H]4CCC[C@@H]4C)c3C)C2)cc1 4912611 GKRYCEUTIPCYTN-AVBTWRTFSA-N 395.499 4.980 0 40 GJAB Cc1ccc(-c2n[nH]c(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)n2)cc1 5474272 LMXDRQCYKLBQHG-LJQANCHMSA-N 392.528 4.626 0 40 GJAB Cc1ccc(-n2c(SCc3cc(C)on3)nnc2-c2ccccc2F)cc1 5702232 GGYWERBDDIPKGR-UHFFFAOYSA-N 380.448 4.971 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)o3)ccc2C)c(C)c1 5881840 VLSRTWMKILNDMS-UHFFFAOYSA-N 398.484 4.566 0 40 GJAB Cc1ccc2oc(-c3cc(Br)c(N)c(Br)c3)nc2c1 6276196 CWZJQZPUNHASEG-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 6295980 YTHRNDVPVRYINY-YVLHZVERSA-N 386.860 4.535 0 40 GJAB Cc1ccccc1Nc1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)s1 6334687 JUSAMSGKNSILIS-DUVNUKRYSA-N 390.578 4.623 0 40 GJAB COCCn1c(C)cc(C(=O)COc2ccc(-c3ccc(C)cc3)cc2)c1C 7718694 AGKURIMJJTVPPE-UHFFFAOYSA-N 377.484 4.988 0 40 GJAB O=C([C@@H]1CC=CCC1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 7780137 GDHVHRHDUNFPKI-JRMCHAMMSA-N 375.468 4.861 0 40 GJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 7928850 KLZSNBZFLQVZQY-XXBNENTESA-N 399.490 4.793 0 40 GJAB Cc1ccc(CNc2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)cc1 9273189 YBBZKBFQADNLNZ-UHFFFAOYSA-N 378.867 4.681 0 40 GJAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@H](c2ccccc2)C4)cc1 9698374 IFGJHIVFCSCHCN-GOSISDBHSA-N 383.451 4.626 0 40 GJAB O=C(NCCCn1ccc2ccccc21)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 10058113 CZAUVVGRLSLPMQ-RTBURBONSA-N 386.417 4.970 0 40 GJAB Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1NC(=O)c1ccco1 11179055 GNJOQBZIZLTITB-UHFFFAOYSA-N 388.467 4.692 0 40 GJAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cc2ccccc2c(=O)s1 12030500 QRWQIKQFXJWTCZ-UHFFFAOYSA-N 378.478 4.561 0 40 GJAB Cc1cc(C)cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1 12226345 GSWLORYMPBTSOU-UHFFFAOYSA-N 376.378 4.923 0 40 GJAB O=C([C@@H](Sc1nnc(Nc2ccccc2)s1)c1ccccc1)N1CCCC1 12524972 WRMCHMCZLSPGRB-KRWDZBQOSA-N 396.541 4.738 0 40 GJAB COc1cc(C(=O)N[C@@H](C)c2cccnc2)ccc1OCc1ccccc1Cl 12558270 ABKJIGWNPPKZFP-HNNXBMFYSA-N 396.874 4.814 0 40 GJAB C[C@H](N[C@@H]1CCc2ccccc21)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12805425 HNRILSPMUAAIBQ-BLLLJJGKSA-N 377.469 4.583 0 40 GJAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccncc2)c(C)c1 13712840 ASJPIEGUEJWIGD-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14013486 ZWXBFWANFQUHBR-JOCHJYFZSA-N 394.515 4.854 0 40 GJAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccccc1COc1ccccc1 14242351 BFZYQJHSCXJGSU-UHFFFAOYSA-N 375.424 4.679 0 40 GJAB CCC[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1I 15652577 JYUCHOCNVWWHMO-SSDOTTSWSA-N 386.060 4.516 0 40 GJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3Cc3cccnc3)cc2N1 19451302 WBWXIMQERGWJRU-CGTJXYLNSA-N 393.457 4.559 0 40 GJAB O=C(C1CCCCC1)N1CC[C@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 19704562 LRCPAUJKLBTXQF-INIZCTEOSA-N 387.911 4.538 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(C)c1 20043655 NKJOJDAMFIBYLE-UHFFFAOYSA-N 394.515 4.656 0 40 GJAB C[C@H](SCc1nc(-c2cccs2)no1)C(=O)Nc1ccc2c(c1)CCC2 24843742 JPVCZHGKWKCOPW-LBPRGKRZSA-N 385.514 4.547 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)CSCc1ccc(Br)cc1 24936945 GFOGRKABVNQUJN-ZDUSSCGKSA-N 394.334 4.568 0 40 GJAB CC(C)[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 25159087 QSCNPOYWPPOMGQ-NQIIRXRSSA-N 397.494 4.583 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2cccc(Cl)c2C)cc1Cl 28184215 YPFPLKIWCZWMAE-UHFFFAOYSA-N 397.327 4.921 0 40 GJAB Fc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)c(Br)c1 28188183 ABZVMJLHQXALJX-UHFFFAOYSA-N 383.604 4.871 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(-n4cccn4)cc3)cc12 32241801 NYLOQAXEQWPQIO-UHFFFAOYSA-N 399.479 4.833 0 40 GJAB Cc1nc(COc2cccc(/C=C/C(=O)N[C@@H](C)c3cccs3)c2)cs1 32879837 LNOUYVGRTZOFTR-VFNNOXKTSA-N 384.526 4.983 0 40 GJAB O=C(Nc1ccc(F)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 35314494 CJUYMMXAYHMQAG-SWLSCSKDSA-N 394.328 4.528 0 40 GJAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(-c2ccccc2)cc1F 40131791 IVAIKCRLOXBCBK-UHFFFAOYSA-N 388.442 4.981 0 40 GJAB COc1ccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1 40143018 QCHFWESDQWTUKO-UHFFFAOYSA-N 379.641 4.845 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1C 44849879 UEGOQHRTZBALQP-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(F)c4)ccc32)c1 46078684 BPGVMUBRMXNJSD-UHFFFAOYSA-N 388.442 4.979 0 40 GJAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078969 SZQDCSRWTOGLRQ-UHFFFAOYSA-N 392.405 4.810 0 40 GJAB CC[C@H](C(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1)c1ccccc1 49362940 PIJFDQYZQKXLGY-KRWDZBQOSA-N 381.501 4.698 0 40 GJAB O=C(Nc1ccnn1C1CCCCC1)c1ccc(COCC(F)(F)F)cc1 69634297 OEDLOQRCZDBAED-UHFFFAOYSA-N 381.398 4.720 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1 72230029 WZKVAPVVHRVSJG-JOCHJYFZSA-N 381.859 4.748 0 40 GJAB CCc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2CCOC)cc1 96037229 UAYANAXWZVEJCD-UHFFFAOYSA-N 375.472 4.594 0 40 GJAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1Cl)c1ccccc1 100426595 VENLMPJFQHDOOV-ROUUACIJSA-N 397.906 4.687 0 40 GJAB COc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(Cl)cc2Cl)S1 108191721 NFDIMDKNWJCTIS-OVCLIPMQSA-N 379.268 4.894 0 40 GJAB C[C@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1nnc(-c2ccccc2)o1 195530760 WEMHSHQKJFTFHN-AHQQAOBSSA-N 386.879 4.919 0 40 GJAB CCCCOc1ccc(C(=O)NCc2ccc([C@@H](O)c3ccco3)s2)cc1 206684779 IKYWJRXGYSJAGI-FQEVSTJZSA-N 385.485 4.532 0 40 GJAB O=C(c1cc(-c2cccnc2)on1)N1CCS[C@@H](c2ccccc2Cl)CC1 206997809 GKCSTLRRRJIETJ-LJQANCHMSA-N 399.903 4.710 0 40 GJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(OC)c(OC)c1 219032383 SRHDLROAWUWQOE-KKSFZXQISA-N 393.483 4.892 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222923259 ISVRVIZXAVFJEC-OAQYLSRUSA-N 396.531 4.920 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)s2)cc1 224482296 OPHGBJCUEDMHPG-CYBMUJFWSA-N 387.892 4.881 0 40 GJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCC1CCCCC1 225206844 KQKUWCNJTGKNFK-ZHZULCJRSA-N 382.529 4.524 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c1 225500028 JZKJPGJBCPRECM-LJQANCHMSA-N 386.517 4.556 0 40 GJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225736962 MKRHAYJURZVDNP-FOIQADDNSA-N 385.932 4.924 0 40 GJAB Cc1c(Cl)cccc1S(=O)(=O)N[C@H](c1ccsc1)c1cccs1 390826263 GQZNLDPBYQTVQS-MRXNPFEDSA-N 383.947 4.839 0 40 GJAB COC(=O)c1cccc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)c1 408731274 JHZKHBLQSPOHRE-GXDHUFHOSA-N 397.839 4.686 0 40 GJAB CCOc1ccc(Cl)cc1/C=C1\S[C](Nc2ccccc2F)NC1=O 408814635 PVUVRVMGDNWOPZ-UHFFFAOYSA-N 377.848 4.641 0 40 GJAB O=C1NC(=O)/C(=C\c2cc(Br)c(Sc3ccccc3)o2)S1 409002522 OGJRNAKBRWSHOE-YRNVUSSQSA-N 382.260 4.517 0 40 GJAB Cc1csc([C@@H]2CN(C(=O)c3ccccc3Nc3ccc(F)cc3)CCO2)n1 585080094 FCVNGRCHZGVMME-IBGZPJMESA-N 397.475 4.548 0 40 GJAB CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2cccc(Cl)c2Cl)cn1 605171250 KNVBKBKYWLNIKL-CYBMUJFWSA-N 395.334 4.795 0 40 GJAB O=C(c1ccc(Cn2ccnc2)cc1)N1CC2(CCCC2)c2c(F)cccc21 623724354 VKKHAZMPXMXAMD-UHFFFAOYSA-N 375.447 4.543 0 40 GJAB COC(=O)c1ccc(COc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)o1 630401 BOMHMJQICPSPKK-UHFFFAOYSA-N 390.391 4.727 0 40 GJAB biogenic COc1ccc2nc(Cl)c(-c3nnc4c(Cl)nc5ccccc5n34)cc2c1 659073 ABGPUQXRCXUIFE-UHFFFAOYSA-N 396.237 4.808 0 40 GJAB Cc1sc(NC(=O)C(C)C)nc1-c1ccc2c(c1)CCN2C(=O)C(C)(C)C 1366725 GNJSCSGGGDVVBW-UHFFFAOYSA-N 385.533 4.648 0 40 GJAB COc1cccc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)c1 2405148 RYBCYJKQNVEMJM-UHFFFAOYSA-N 388.471 4.810 0 40 GJAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)[C@H]1CC=CC[C@H]1C(=O)O 2740378 JNGKOQKJZPTSNE-DLBZAZTESA-N 378.453 4.569 0 40 GJAB O=C(C[C@@H](NCc1ccc(F)cc1)C(=O)O)c1ccc(C2CCCCC2)cc1 4118419 YEMJFOZMLWLKJS-OAQYLSRUSA-N 383.463 4.689 0 40 GJAB Cc1ccc(CSC2=NCCN2C(=O)c2ccccc2Br)cc1 4120379 QFNQMNQDVJHSFS-UHFFFAOYSA-N 389.318 4.503 0 40 GJAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(Br)cc1 4138209 WXLFUFIDZUCWOY-UHFFFAOYSA-N 383.289 4.739 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(Cl)s3)n2)c1 4200624 RIMSIFNJQMUCEE-UHFFFAOYSA-N 380.878 4.795 0 40 GJAB CCCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccoc1C 4860807 VQZVTXXFZHLMET-UHFFFAOYSA-N 388.468 4.517 0 40 GJAB COCCN(C(=O)CCC1CCCC1)c1nnc(-c2ccc(Cl)cc2)s1 4880956 JNFWKZPFJSNLBJ-UHFFFAOYSA-N 393.940 4.808 0 40 GJAB Cc1ccc2nc(-c3ccc(SCC(=O)N[C@H]4CCCC[C@@H]4C)nc3)[nH]c2c1 4903421 JARGOQAFTIIGAY-RDJZCZTQSA-N 394.544 4.720 0 40 GJAB COc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)cc1 5142014 UCHOVQMYXPHWQK-UHFFFAOYSA-N 393.443 4.686 0 40 GJAB CCN(CC)CCCNC(=O)C[C@@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1 5347387 KWYSEVUPMHGZGK-VXKWHMMOSA-N 388.596 4.522 0 40 GJAB Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1N1CCCCC1=O 5441350 RQFGJRVZABBOBK-UHFFFAOYSA-N 376.378 4.783 0 40 GJAB Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1 5501544 SIQXSWDSYLQDDS-UHFFFAOYSA-N 398.507 4.650 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 6455504 AXIKEXFWYHHFKT-SNVBAGLBSA-N 384.284 4.899 0 40 GJAB CCN1C(=O)N/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C1=O 6630210 LRKLHCYFTVBJJR-HYARGMPZSA-N 395.462 4.755 0 40 GJAB COc1cc(C)c(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 7057742 XSPLSBMBOKNBJC-NSHDSACASA-N 383.275 4.758 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(-c3nccs3)cc2)cc1 7987226 LAMSBLFJVXDQCT-UHFFFAOYSA-N 380.469 4.810 0 40 GJAB Cc1cc(=O)oc(C)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 7989447 ZISYLKODCASJQA-UHFFFAOYSA-N 379.256 4.547 0 40 GJAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1cc(Cl)ccc1-n1cncn1 7989456 LTIOFHOYQLSTKB-UHFFFAOYSA-N 392.846 4.752 0 40 GJAB O=C(NCc1cn2ccccc2n1)c1ccccc1SCc1cccs1 8279230 HZGKLPPNIAEJPO-UHFFFAOYSA-N 379.510 4.618 0 40 GJAB Cc1ccc(CCCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(C)c1 8405838 BCIYVGCBGHDWNB-UHFFFAOYSA-N 392.524 4.980 0 40 GJAB COc1cccc(-c2nnc(SCCCOc3ccc(Cl)cc3)n2C)c1 8753173 PIYBJWSWSFGYGT-UHFFFAOYSA-N 389.908 4.705 0 40 GJAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccccc3C)sc2c1 8903268 NVKHBWWLTMLHJI-UHFFFAOYSA-N 398.484 4.579 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1ccc(-c2ccccc2)cc1 11083293 LCRZPVSBIZPAFC-UHFFFAOYSA-N 395.506 4.800 0 40 GJAB O=C(Nc1ncc(Cc2ccccc2F)s1)C1=Cc2ccccc2OC=C1 11689853 COXGSEVSNINEIF-UHFFFAOYSA-N 378.428 4.801 0 40 GJAB O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc(F)c(F)c1 12228266 DZRNFKIOCRNATE-UHFFFAOYSA-N 397.303 4.605 0 40 GJAB CCOC(=O)c1ccc(-n2ccnc2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 12602806 VXACMYPBIPNFCE-UHFFFAOYSA-N 391.471 4.599 0 40 GJAB CCOc1ccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1 12629081 NHUPQRYDSWZCDP-JOCHJYFZSA-N 399.494 4.686 0 40 GJAB CCOc1cc2c(cc1NC(=O)Cc1c(Cl)cccc1Cl)O[C@@H](C)C2 12992751 VGJHQJLQYZPIPC-NSHDSACASA-N 380.271 4.897 0 40 GJAB COc1cc(C)c2nc3c(cc2c1)CN(CCc1ccc(Cl)cc1)CCO3 13563836 XRGJMBOCQYPEOY-UHFFFAOYSA-N 382.891 4.642 0 40 GJAB CSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 16750223 ZBETXRPVQNLDCI-UHFFFAOYSA-N 382.194 4.776 0 40 GJAB Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 19118508 QQMYQKZQHKTVJN-UHFFFAOYSA-N 391.540 4.852 0 40 GJAB O[C@](CNCc1cccc(C(F)(F)F)c1)(c1ccccc1)c1ccc(F)cc1 20365986 MEGBTFHXSPPOJK-OAQYLSRUSA-N 389.392 4.870 0 40 GJAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 20717983 LPTCXUNKCOMXID-JLTOFOAXSA-N 391.496 4.783 0 40 GJAB CCCN(Cc1coc(-c2ccccc2)n1)S(=O)(=O)c1cccc(Cl)c1 22070201 SZGRCLWQJAKGFR-UHFFFAOYSA-N 390.892 4.596 0 40 GJAB CCCCn1nc(C)c(/C=C/C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1Cl 23878721 ARVPISYXZCHIHH-YPUOHESYSA-N 381.854 4.814 0 40 GJAB COc1ccc(N(CC(=O)c2ccc(Cl)c(Cl)c2)C2=NCCS2)cc1 26506100 RNYYTLONUGQVQH-UHFFFAOYSA-N 395.311 4.794 0 40 GJAB Cc1c(C)n(C[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc12 28297117 DGBWCDMZVRGXLT-HNNXBMFYSA-N 387.405 4.688 0 40 GJAB COc1ccc(C(C)(CCC(=O)Nc2nccs2)c2ccc(OC)cc2)cc1 30836256 AAVDCDAXTOCPNZ-UHFFFAOYSA-N 396.512 4.885 0 40 GJAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2ccccc2c1 31405306 UVBAIJIJUPXZHI-UZLBHIALSA-N 392.524 4.631 0 40 GJAB c1ccc(-n2nc(SCc3noc(-c4cccs4)n3)nc2C2CC2)cc1 32837591 UEMCCXONESZZQG-UHFFFAOYSA-N 381.486 4.549 0 40 GJAB O=C(Nc1ccnn1Cc1ccccc1)c1cccc(OCc2cccs2)c1 33158086 ZGSXFLUAUHPWIG-UHFFFAOYSA-N 389.480 4.824 0 40 GJAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)oc1NC1CC1 35475984 GJWRWFNWZOSCQA-UHFFFAOYSA-N 392.839 4.541 0 40 GJAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nccn2-c2cccc(C)c2)c1C 36781861 NJXHJRDQKLQELQ-QGZVFWFLSA-N 397.544 4.781 0 40 GJAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3Br)cc2)CC1 38834918 DUJQEYFKQDVOQJ-UHFFFAOYSA-N 387.321 4.933 0 40 GJAB COc1cc(CN(C)C(=O)Nc2ccccc2Cc2ccccc2)ccc1O 43334062 DRISWEIWBWXAEP-UHFFFAOYSA-N 376.456 4.656 0 40 GJAB Cc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078945 VIIZWTXGZVAKKY-UHFFFAOYSA-N 388.442 4.979 0 40 GJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NCC1CCCC1 47013554 LUOFDEIPLZSMSQ-QGZVFWFLSA-N 379.504 4.832 0 40 GJAB CN(C(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)c1ccccc1 57487233 OUIDFCKRTRCJCF-UHFFFAOYSA-N 392.846 4.522 0 40 GJAB Cc1nc(N2CCCC2)ccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72218951 ACLUASSSZBENTC-OAQYLSRUSA-N 379.504 4.854 0 40 GJAB CCOc1c(Cl)cc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)cc1OC 78934828 MXPSQLDDDFKBLT-HNNXBMFYSA-N 395.908 4.579 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCSc4ccncc43)cc12 79055776 DKKAYUQXAYFBGP-UHFFFAOYSA-N 392.509 4.543 0 40 GJAB CC(C)c1nc([C@H](C)Nc2ccc(F)cc2S(=O)(=O)C(F)(F)F)cs1 84630949 FHXQXIXMJBBNST-VIFPVBQESA-N 396.431 4.872 0 40 GJAB O=S(=O)(Cc1ccc(F)cc1F)Nc1ccc(Cl)cc1C(F)(F)F 95452966 XWAKNXLPMAKYBL-UHFFFAOYSA-N 385.741 4.579 0 40 GJAB CO[C@H](C)c1nc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)s1 95963909 NUFWFEIHAUUYNQ-SNVBAGLBSA-N 391.493 4.982 0 40 GJAB CC(C)c1sc(Cl)nc1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 96222964 VLHMIPHLRLGLJO-ZDUSSCGKSA-N 376.913 4.923 0 40 GJAB COc1ccc(C(=O)NC23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1Br 101212949 UIOFZVYOJVGNKB-QEJKFARNSA-N 392.337 4.937 0 40 GJAB O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1ccccc1Cl 106683237 QTRHWMOFIZGYPH-MFOYZWKCSA-N 397.839 4.683 0 40 GJAB COc1ccc(NCc2ccc(-c3ccc(F)cc3C)o2)cc1N1CCOC1=O 173859973 CJWKONQEIQQAGK-UHFFFAOYSA-N 396.418 4.971 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1cnn(-c2ccc(Cl)cc2)c1 224056092 WQMMBZLEAVAARP-UHFFFAOYSA-N 376.641 4.541 0 40 GJAB CCOc1ccccc1NC(=S)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 225681507 GSGDSRUADPWZMH-QGZVFWFLSA-N 386.517 4.683 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc3c(n2)[C@@]2(C)CC[C@H]3C2(C)C)c(C)c1 229818930 HUGYMRCSEVANHW-SMASLZHESA-N 396.560 4.783 0 40 GJAB COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2N3)cc1Cl 244969017 GUEONJOBNBAKDC-UHFFFAOYSA-N 393.830 4.910 0 40 GJAB O=C(c1cc2cc(F)ccc2s1)N1CC[C@H](Oc2cccc3cccnc23)C1 245015178 LPDSRUXFHZXNSQ-KRWDZBQOSA-N 392.455 4.882 0 40 GJAB COC(=O)[C@@H](NC(=O)c1cn(CC2CCCCC2)c2ccccc12)C(C)(C)C 299817307 SRJKCVHWIDFUBO-HXUWFJFHSA-N 384.520 4.539 0 40 GJAB in-vitro Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1ccccc1Cl 408626792 IHHUFMLHPHUSRR-UHFFFAOYSA-N 393.830 4.869 0 40 GJAB C[C@H](NCc1ccc(CN2CCCC[C@@H]2C)cc1)c1ccc2c(c1)CCC(=O)N2 532192864 ZPCQJTOYZQYQFI-OALUTQOASA-N 391.559 4.797 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585149023 RKUROUGJFMWOHJ-HNNXBMFYSA-N 376.378 4.662 0 40 GJAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615152556 AKKBSSHOGCHYPQ-QHCPKHFHSA-N 399.510 4.909 0 40 GJAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 2037845566 CIKLCRLVALHONM-LJQANCHMSA-N 385.467 4.767 0 40 GJAB Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@]2(C)C1=O 828228 UMTHBAXVVOYZLI-CBGCIVQGSA-N 379.459 4.782 0 40 GJAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)NCC(C)C)C3CCCCC3)cc12 878486 OKVWCCAQQWMUQA-UHFFFAOYSA-N 399.604 4.810 0 40 GJAB CC(C)(C)n1nc(C2CC2)c(Br)c1NC(=O)c1ccccc1F 1586129 CHOLEEZRWAJSSS-UHFFFAOYSA-N 380.261 4.669 0 40 GJAB Cc1cc(C)n(-c2nc(NCCC(C)C)c3c4c(sc3n2)COC(C)(C)C4)n1 2395262 ZWCBZUNOLAAIAS-UHFFFAOYSA-N 399.564 4.803 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)Cc1ccc(Br)cc1 2624457 BWSKYZHEDRIRAO-UHFFFAOYSA-N 376.294 4.936 0 40 GJAB Cc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1cccc(C(F)(F)F)c1 2715823 XNDBAVYQJCNPIQ-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB Cc1ccccc1-c1nsc(SCC(=O)N2CCCc3ccccc32)n1 2917594 FBSCIHKTHZDPPT-UHFFFAOYSA-N 381.526 4.585 0 40 GJAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)ccc1O 4113184 SDZBYZPRZDUPEG-LBPRGKRZSA-N 384.501 4.517 0 40 GJAB COc1ccc2nc(N(Cc3cccnc3)C(=O)C3CCCCC3)sc2c1 4273170 OFCKLPTZHHUKGP-UHFFFAOYSA-N 381.501 4.813 0 40 GJAB Cc1cccc(-n2ncc3c(=O)n(Cc4ccc(Cl)cc4Cl)cnc32)c1C 4479238 FHPQURHCYCKZEY-UHFFFAOYSA-N 399.281 4.554 0 40 GJAB CCOc1ccc(-n2c(/C=C/c3ccc(O)cc3)nc3ccccc3c2=O)cc1 4728539 CTUVIEJCQSWKRY-CXUHLZMHSA-N 384.435 4.660 0 40 GJAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)Cc1ccc(Cl)cc1 5136978 YLNCTSICAJKPSS-UHFFFAOYSA-N 388.895 4.812 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1Cc1ccco1 5156042 XBPOALPDUIGPFB-IBGZPJMESA-N 391.810 4.785 0 40 GJAB O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccc(F)cc1)SCC(O)=N2 5763593 GUQPHVVKQDFQQW-QGZVFWFLSA-N 375.469 4.635 0 40 GJAB C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OCC)c1OCC 6655620 PNFJNNAFDJYHAH-GHRIWEEISA-N 375.490 4.659 0 40 GJAB CCn1c(-c2ccccc2)cnc1S[C@H](C)C(=O)Nc1ccc(Cl)cn1 7126914 VIKOIAGPQMLKKD-CYBMUJFWSA-N 386.908 4.738 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1[C@@H](C)c1ccccc1 7235152 HVRLPVHISYGSAH-HNNXBMFYSA-N 394.544 4.695 0 40 GJAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1C1CC1 7617391 HDJSRNIIUIUSBA-AWEZNQCLSA-N 394.500 4.833 0 40 GJAB CCOc1ccc(SCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 7989711 BSYKRSBYKJTDFR-FQEVSTJZSA-N 383.517 4.567 0 40 GJAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc2nsnc2c1 8071992 SDFOVCGFALLQJO-UHFFFAOYSA-N 390.399 4.891 0 40 GJAB COc1cc(CNCCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 8373831 DLSAIXUAOSERTN-UHFFFAOYSA-N 397.346 4.622 0 40 GJAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(C)c(C)c2)cc1 8476951 CEEGDXQPXJYFET-UHFFFAOYSA-N 388.515 4.922 0 40 GJAB COc1ccc(-c2cc(CSc3nccn3-c3ccc(OC)cc3)on2)cc1 11395390 UDLFLVTVUHUDLK-UHFFFAOYSA-N 393.468 4.837 0 40 GJAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccccc1C(=O)c1cccs1 12569350 POKCESJSYXSGJN-UHFFFAOYSA-N 397.471 4.789 0 40 GJAB COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3C)cs2)cc1OC 12816597 UMXMRRBKMIWSGB-AWEZNQCLSA-N 382.485 4.627 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)c3csc(-c4ccccc4)n3)sc2c1 12824374 DWEAEMKZSFVMHC-UHFFFAOYSA-N 394.481 4.631 0 40 GJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1OC[C@@H]1CCCO1 12904046 AFWCAEGSCCCMAU-ZDUSSCGKSA-N 397.805 4.752 0 40 GJAB CC[C@H](Oc1ccccc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 12911832 SNJOOQVOQVSIKU-IBGZPJMESA-N 380.513 4.860 0 40 GJAB C[C@H](O)CN(Cc1ccc(-c2ccc(F)cc2)cc1)Cc1ccc2c(c1)OCO2 13991957 YKNVHOYEWODJAT-KRWDZBQOSA-N 393.458 4.604 0 40 GJAB CN(CN1C(=O)CC2(CCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1 14197201 JHPWJUPTUSZIIR-JOCHJYFZSA-N 394.490 4.514 0 40 GJAB Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)nc1 14683573 SWVKWHOHWWUIQG-LJQANCHMSA-N 393.874 4.543 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(SC(F)F)cc1 15576312 RONWLUQVBUVBCB-SFHVURJKSA-N 388.439 4.904 0 40 GJAB COc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 15831189 XERNZQVJLGOZFK-UHFFFAOYSA-N 399.446 4.957 0 40 GJAB Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccc(F)c(Cl)c2)n1 19290076 OQYFDFQAVBSNFC-IBGZPJMESA-N 398.869 4.642 0 40 GJAB COc1ccc(C(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2)cc1 21102330 UHDIMMGPQNQMHH-UHFFFAOYSA-N 375.453 4.862 0 40 GJAB Cc1csc(=O)n1CCCC(=O)N[C@@H](c1ccc(CC(C)C)cc1)C(C)C 25055240 KEGIMWBKRHFKKN-OAQYLSRUSA-N 388.577 4.710 0 40 GJAB Cc1nc2ccccc2nc1S[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 25057730 ZYCFQLYFRCQEMK-GFCCVEGCSA-N 382.514 4.706 0 40 GJAB CCc1ccc([C@H](NCC(=O)N[C@H](C)c2ccccc2)c2cccs2)cc1 29939446 LKICQLZRSSVPIC-HXOBKFHXSA-N 378.541 4.867 0 40 GJAB Cc1cc(CSCc2nc3cc(-c4ccc(F)cc4)sc3c(=O)[nH]2)on1 30525057 DWOVJHSKHWTCQX-UHFFFAOYSA-N 387.461 4.521 0 40 GJAB CC(=O)N1CCc2cc(C(=O)Nc3ccc(OCC(C)C)c(Cl)c3)ccc21 32809472 MKIILNDNYAGLSE-UHFFFAOYSA-N 386.879 4.536 0 40 GJAB Cc1cc(C)c2cc(CN(C(=O)c3cnccn3)C3CCCC3)c(Cl)nc2c1 35289698 OLQDZHSPDYTHPM-UHFFFAOYSA-N 394.906 4.880 0 40 GJAB Cc1cc(C(=O)CN(C)Cc2nc3ccccc3s2)c(C)n1Cc1ccco1 36386225 ARHUJWOCQUWJAO-UHFFFAOYSA-N 393.512 4.671 0 40 GJAB O=C(CSc1c(Cl)cccc1Cl)Nc1ccccc1N1CCCC1=O 39995639 YMGARPPGGYNSCB-UHFFFAOYSA-N 395.311 4.851 0 40 GJAB CN(c1ccccc1)c1ccccc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 40122760 FUDFZYALHTUJBR-UHFFFAOYSA-N 393.531 4.678 0 40 GJAB COc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1ccccc1Br 40283943 NEFCVOFUZOCILP-ZDUSSCGKSA-N 398.260 4.767 0 40 GJAB Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccccc2C)cc1 44086817 DYBCXRVSNRRRBZ-UHFFFAOYSA-N 379.529 4.773 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 44901888 IKJJZYWAQWCXLI-AUUYWEPGSA-N 388.895 4.664 0 40 GJAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2cccs2)CN1c1cccc2ccccc12 49757642 LSLCSXBTCOGEEP-FXAWDEMLSA-N 390.508 4.618 0 40 GJAB C[C@@H](SCc1csc(Br)c1)C(=O)NCc1cccs1 56261723 CMNQPAZOZHWKOR-SECBINFHSA-N 376.366 4.510 0 40 GJAB COc1ccccc1-c1nc(CN2CCN(c3ccccc3Cl)CC2)cs1 57833150 BRNNTJUBGUJUCB-UHFFFAOYSA-N 399.947 4.794 0 40 GJAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 67259325 VQAMELRRQSFHJV-SFHVURJKSA-N 378.497 4.511 0 40 GJAB CCOc1ccc(O[C@@H](C)c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)cc1 71890691 BVPOJCLSSFZGCL-LBPRGKRZSA-N 392.415 4.689 0 40 GJAB COc1ccc(NC2=NC(=O)S/C2=C\c2c(Cl)nc3sccn23)cc1 72401820 RLGDQVZPEOLZRJ-WQLSENKSSA-N 390.877 4.776 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)N3CCc4sccc4C3)s2)cs1 84275057 IWKMHBRGCNHUFL-UHFFFAOYSA-N 389.571 4.552 0 40 GJAB Cn1c(COC(=O)/C=C/c2nc3ccccc3s2)nc2cc(Cl)ccc21 84311126 CGFBZHLSUQXQSI-CMDGGOBGSA-N 383.860 4.593 0 40 GJAB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C)nc2onc(C)c12 84810524 NNKYWPXZRITFDJ-UHFFFAOYSA-N 379.338 4.509 0 40 GJAB CCc1cnc(COc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2)o1 95457391 KZQAQLSCJFSQCO-UHFFFAOYSA-N 377.396 4.598 0 40 GJAB Cc1nc(C)c(-c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)s1 95474160 PURXYUBOWQZQKR-UHFFFAOYSA-N 382.301 4.900 0 40 GJAB O=C(c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2)N1CCOCC1 98003015 BTKRYCZHPXWJLL-ZPHPHTNESA-N 384.479 4.584 0 40 GJAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=S)Nc1cccc(Cl)c1 100427024 XJKZNTMPHUFNEG-IRXDYDNUSA-N 393.984 4.585 0 40 GJAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccc(C)cc1 113935551 PCIMVPWCWKBWRV-CYBMUJFWSA-N 388.316 4.740 0 40 GJAB Cc1ccn2cc(-c3cccc(NC(=O)[C@H](C)Oc4ccc(F)cc4)c3)nc2c1 141559925 LIUHXMYTZWQLCE-INIZCTEOSA-N 389.430 4.855 0 40 GJAB Cn1c(COc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl 216413387 HNOGBVVRUCKJRH-UHFFFAOYSA-N 380.300 4.993 0 40 GJAB Cc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 223841364 ZGSFMJZXTSVKBX-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB CCOCCOc1ncc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225865487 RPYXRZSKDUXDGB-UHFFFAOYSA-N 382.504 4.646 0 40 GJAB COc1cccnc1NC(=S)NC1(CCc2ccccc2Cl)CCCC1 225875594 JMCDHNWLZUYPDI-UHFFFAOYSA-N 389.952 4.976 0 40 GJAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2cccc(Br)c2)n1 225917634 UCXYCHVHMRJTKY-UHFFFAOYSA-N 397.276 4.852 0 40 GJAB CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1 408615320 OWLXMNVPPSVAJS-UHFFFAOYSA-N 388.467 4.576 0 40 GJAB CCOc1ccccc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC 408617545 AQEXWTXBFLLQQI-UHFFFAOYSA-N 399.299 4.528 0 40 GJAB Cc1cc(CN[C@@H]2CCCNc3ccccc32)ccc1I 545275614 CFAFALSJRZOEFT-GOSISDBHSA-N 392.284 4.636 0 40 GJAB O=C(c1ccc(OC2CCCC2)cc1)N1CCC[C@@]2(C1)OCc1ccccc12 681327414 CCBYULOBAPVLDQ-DEOSSOPVSA-N 377.484 4.670 0 40 GJAB O=c1cc(CN(Cc2ccccc2C(F)(F)F)C2CC2)c2ccc(O)cc2o1 1167054821 MKLSCGBPIMGVQB-UHFFFAOYSA-N 389.373 4.682 0 40 GJAB O=C(NC1CCCCC1)c1ccc2nc(NC(=O)c3ccccc3F)sc2c1 793087 WSNBZJPBXKCMNB-UHFFFAOYSA-N 397.475 4.750 0 40 GJAB CC(C)CC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1266038 YZJJWKRSTNKVLF-UHFFFAOYSA-N 387.471 4.555 0 40 GJAB O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(Cl)c1 1415970 MNSFVAVUFAMPPZ-ZSOIEALJSA-N 376.846 4.654 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)nc(C(C)C)n1 3317533 WJYPJPLKCNDNSN-UHFFFAOYSA-N 391.471 4.505 0 40 GJAB Cc1cccc(Nc2nnc(SCc3nnc(-c4cccs4)o3)s2)c1 3535960 KTIMZNIUKPKOPL-UHFFFAOYSA-N 387.515 4.994 0 40 GJAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 3666338 ZDOCFTSSXAJYRK-GZTJUZNOSA-N 393.782 4.643 0 40 GJAB CCOc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 4689661 MRCAEFRQWYSUSR-MSOLQXFVSA-N 399.292 4.586 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccccc1 4816838 UISBEHVYNZPYSL-RTBURBONSA-N 380.879 4.655 0 40 GJAB CCOc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 4882367 FDCPAJMDKGYAQB-SEJPIABJSA-N 393.531 4.793 0 40 GJAB COc1ccc(-c2nonc2NC(=O)c2sc3ccccc3c2Cl)cc1 5451551 DABTVVZGZMGWQL-UHFFFAOYSA-N 385.832 4.866 0 40 GJAB Cc1ccc(S(=O)(=O)NCC[C@]2(CCC(C)C)CCOC(C)(C)C2)cc1 5498862 XBLBAVZGIYJKRW-OAQYLSRUSA-N 381.582 4.675 0 40 GJAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1)OCCO3 5529903 MNFVYVHTLBDTIR-LPYKTLRWSA-N 376.537 4.515 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2cccc(C)c2C)cc1OC 5558489 XQZLVLFXWLNQDS-UHFFFAOYSA-N 378.266 4.726 0 40 GJAB Cc1cc(O)c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1C 5612790 HOZANCWXLSHLDN-UHFFFAOYSA-N 390.508 4.654 0 40 GJAB CCC(=O)Nc1ccc(N2C(=O)[C@@H](C)S[C@H]2c2ccc(SC)cc2)cc1 5791922 BOKWYJCVHYXEFI-XCLFUZPHSA-N 386.542 4.924 0 40 GJAB COc1ccccc1-n1c(S[C@H]2CCCCC2=O)nnc1-c1cccs1 6035890 AGBNZYNKFACOCA-INIZCTEOSA-N 385.514 4.608 0 40 GJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccc[nH]1 6790087 WWXIDOMBJIGODM-UHFFFAOYSA-N 398.875 4.543 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(CC(F)(F)F)[C@H](C)C1CC1 6880359 FEUDDWQXRSZZBE-GFCCVEGCSA-N 385.817 4.637 0 40 GJAB O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(N2CCCC2)cc1 7206718 OBLCPBAMDJHQCX-UHFFFAOYSA-N 381.863 4.506 0 40 GJAB Cc1occc1-c1nnc(SCc2ncc(-c3ccc(Cl)cc3)o2)n1C 7217237 LEZMINLABSXEOX-UHFFFAOYSA-N 386.864 4.984 0 40 GJAB COc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3cccs3)o2)o1 7787293 NAAGSQTYALJPEY-JTQLQIEISA-N 386.458 4.710 0 40 GJAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(-c2ccccc2F)o1 8012918 PIXVWSNBIZXEFK-UHFFFAOYSA-N 378.447 4.612 0 40 GJAB CCc1nnc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)s1 8157150 COFXQBVUDVQOMV-UHFFFAOYSA-N 394.475 4.959 0 40 GJAB Cc1nc2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1Cl 8548566 JEZJAYAJSZEJLZ-UHFFFAOYSA-N 378.284 4.976 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)C1 8623947 IDWXIJMSQBKZLQ-IFMALSPDSA-N 392.547 4.592 0 40 GJAB biogenic,in-vitro CNC(=O)c1ccc(Nc2nc(C)nc3scc(-c4cccs4)c23)cc1 8747651 SKUZAEYSBUUJHR-UHFFFAOYSA-N 380.498 4.831 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](c1ccsc1)N1CCCC1 8862561 JVQUOXVXFXGCIF-QHCPKHFHSA-N 390.552 4.911 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C 8958996 JDHQQQBJHVPKHE-UHFFFAOYSA-N 380.488 4.655 0 40 GJAB COc1ccc(SCC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 10022722 VFITZMYQODAQGT-UHFFFAOYSA-N 382.510 4.648 0 40 GJAB CCCn1ccnc1S[C@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 11223209 QFQZUYKOBTXZTA-FQEVSTJZSA-N 393.512 4.968 0 40 GJAB Cc1oc(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(-c2csnn2)c1 12202095 ITYPHPLTSITMEN-UHFFFAOYSA-N 380.404 4.560 0 40 GJAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(N2CCCCCC2)cc1 12569636 IXCBGRYXXVNNDG-QGZVFWFLSA-N 383.561 4.686 0 40 GJAB O=C(CSCc1ccc(F)cc1)Nc1ccnn1Cc1ccccc1Cl 12874573 RNNCIBXTKQLHJK-UHFFFAOYSA-N 389.883 4.596 0 40 GJAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(N2CCCCC2)cc1 14399044 RXTSDDWRRWCUKY-UHFFFAOYSA-N 388.964 4.994 0 40 GJAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc1 17051582 BXHLXUIIKKJCDW-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(N2CCCC2=O)cc1 20459685 WZALYSAIIQAHAF-ONNFQVAWSA-N 375.255 4.772 0 40 GJAB Cc1ccc(-c2csc3ncc(C(=O)Nc4cc(C)ccc4C)c(=O)n23)cc1 20768039 HXUZXTYVRVUVQH-UHFFFAOYSA-N 389.480 4.601 0 40 GJAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCCC2=O)cc1 22186047 TUYFHKTZCBXIQR-UHFFFAOYSA-N 386.451 4.854 0 40 GJAB COc1ccc2c(-c3ccccc3)cc(S[C@H]3CCCCNC3=O)nc2c1 22201810 MRTWHQWVOQJZMM-FQEVSTJZSA-N 378.497 4.671 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)CN(Cc1ccccc1)Cc1ccco1 32664849 ISPFDOCATGVEHY-UHFFFAOYSA-N 398.890 4.891 0 40 GJAB O=C(NC[C@H]1CCCc2ccccc21)Nc1ccc(NC(=O)c2ccco2)cc1 43974797 COPZCPSSNWLEJZ-QGZVFWFLSA-N 389.455 4.774 0 40 GJAB FC(F)(F)c1cccc(-c2noc([C@@H]3CCN(Cc4cccs4)C3)n2)c1 72369953 ZJQUTWQPWMVKRE-CYBMUJFWSA-N 379.407 4.806 0 40 GJAB Cc1cc(-c2snnc2[C@H]2CCCN(CC[C@H](C)c3ccc(C)o3)C2)on1 72396704 GYYQDWYCEHWADR-BBRMVZONSA-N 386.521 4.776 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc(C)cs2)C12CCCC2 72400696 ASTMFKVTRYEGOJ-QAPCUYQASA-N 397.544 4.741 0 40 GJAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(C)c(C)c1 82086733 QSPJSOYHEKNLFR-HSZRJFAPSA-N 391.515 4.806 0 40 GJAB O=C(NNc1ccc(Br)cc1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 84502085 OGHJRAHWHRPKDN-KBPBESRZSA-N 399.210 4.715 0 40 GJAB O=C(CCc1ccc(C(F)(F)F)cc1)NCC1(c2ccccc2)CCOCC1 96120225 NENZMVLRAQZUCQ-UHFFFAOYSA-N 391.433 4.503 0 40 GJAB Cc1cc2occ(CC(=O)OCC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c2cc1C 102218633 PHRDYACWNDDQES-KOSHJBKYSA-N 397.515 4.563 0 40 GJAB CCOc1ccc(NC(=O)NCc2ccc([C@H](O)c3ccccc3)s2)cc1 207973288 DNNTWIZENGVGJV-HXUWFJFHSA-N 382.485 4.550 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1nccs1 222591583 PNMUDKSBEINCEP-DOPJRALCSA-N 395.557 4.535 0 40 GJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1C(C)C 223389727 XKIDXFFFHKQKAL-OAHLLOKOSA-N 379.497 4.614 0 40 GJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1C 224264294 NMDFOKSTLVUYJB-FGZHOGPDSA-N 390.556 4.831 0 40 GJAB CCCC[C@H](CC)CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 225121415 VFDCCLGZNQEPBI-IGCAKMCNSA-N 382.504 4.692 0 40 GJAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 225334316 XCAFWZHLMHHBAG-WOJBJXKFSA-N 379.485 4.639 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl 408597661 VRTBXLCYZYKWRD-UHFFFAOYSA-N 379.787 4.558 0 40 GJAB CCn1cc(C(=O)Nc2cc(Cl)ccc2OC)c(=O)c2cc(Cl)ccc21 408713396 WMJHNNOQTYWGTG-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCC(C)C 409332162 KGALJIHGMISBFZ-XDHOZWIPSA-N 383.469 4.971 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)Nc1c(F)cccc1F 585147866 DVPDTRVDDUHIFK-GFCCVEGCSA-N 380.441 4.610 0 40 GJAB O=C(CSc1nc2ccccc2o1)Nc1ccc(OCc2ccncc2)cc1 591207498 VUOJHDWNMQDXMN-UHFFFAOYSA-N 391.452 4.533 0 40 GJAB O=C(N[C@H]1CCSc2ccc(F)cc21)[C@H](O)c1ccc(Cl)c(Cl)c1 1539322538 KCPJDKGBWUFJLJ-GOEBONIOSA-N 386.275 4.519 0 40 GJAB Cc1ccc(-c2nnc(-c3cc4cc(Br)ccc4oc3=O)o2)cc1 846019 IHEULVDFNHIFKI-UHFFFAOYSA-N 383.201 4.581 0 40 GJAB COc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2ccc(Br)cc2)cc1 1064678 MJMCDPUKLXEZQQ-GTNSWQLSSA-N 378.291 4.625 0 40 GJAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 3262142 ARAIGWKKPPNLBL-UHFFFAOYSA-N 395.377 4.678 0 40 GJAB COc1ccc(CN(C)c2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)c(OC)c1 3383908 VRVKLCYEVLRNPD-CYBMUJFWSA-N 397.544 4.778 0 40 GJAB O=C(/C=C/c1ccc(Br)o1)Nc1ccc(OC(F)(F)F)cc1 3560960 CHNIFTFLGILKSM-SOFGYWHQSA-N 376.128 4.593 0 40 GJAB CC(C)CC(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 4078219 HSJBUZSYNBCWHZ-UHFFFAOYSA-N 375.441 4.834 0 40 GJAB Cc1cc(SCC(=O)Nc2ccc(F)cc2)nc(SCc2ccccc2)n1 4130161 VYKZDPMYFGGLHL-UHFFFAOYSA-N 399.516 4.947 0 40 GJAB O=C(N[C@@H](Nc1cccc2ccccc12)C(=O)c1ccccc1)c1cccs1 4714271 FSQVOTMEDWENOI-JOCHJYFZSA-N 386.476 4.952 0 40 GJAB COc1cccc(NC(=O)c2sc3nc4cc(C)c(C)cc4cc3c2N)c1 4848771 DEJGVOPNOGPIFT-UHFFFAOYSA-N 377.469 4.909 0 40 GJAB C[C@@H]1CCC[C@H](NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)[C@@H]1C 4934033 HHGPQTGILUJUHV-NFAWXSAZSA-N 393.603 4.696 0 40 GJAB Cc1ccc(F)cc1Nc1nc(CC(C)C)nc2c1nnn2Cc1ccccc1 4985507 CBDAXVHZVORHJA-UHFFFAOYSA-N 390.466 4.659 0 40 GJAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 5099429 CBNRZHBQZYNDMI-UHFFFAOYSA-N 376.481 4.902 0 40 GJAB Cc1nc(SCC(=O)N[C@H](C)c2cccc(Cl)c2)n(CC(C)C)c1C 5152114 HLUHIUWBAXTPJY-CQSZACIVSA-N 379.957 4.779 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 5415819 ZTWBEMWBLKRLPT-RTBURBONSA-N 379.500 4.541 0 40 GJAB CN(C(=O)CSc1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 6314088 WNELCZNLCIFABG-UHFFFAOYSA-N 387.508 4.903 0 40 GJAB Cc1nn2c(-c3cccc(NC(=O)c4ccccc4)c3)nnc2c2ccccc12 6527680 MVLPQPXVWSLBMN-UHFFFAOYSA-N 379.423 4.505 0 40 GJAB CCOc1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 6609717 CNHKHSDJSHPHLQ-UHFFFAOYSA-N 397.906 4.564 0 40 GJAB CC(C)c1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 6633761 QESPJBSNGLVIIY-UHFFFAOYSA-N 384.435 4.863 0 40 GJAB Cc1ccccc1Nc1nnc(SCC(=O)NC2CCCCCC2)s1 6832165 WRVYFQWOXBEHKQ-UHFFFAOYSA-N 376.551 4.521 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)CCn3ccc4ccccc43)s2)cs1 7257788 KTCVFDWCJJVACP-UHFFFAOYSA-N 381.526 4.841 0 40 GJAB COC(=O)c1cn(C(=O)c2cccc(OCc3ccccc3)c2)c2ccccc12 7668568 KCMGSQALJWOWLO-UHFFFAOYSA-N 385.419 4.695 0 40 GJAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@@H]1c1nc2ccccc2s1 7987085 PUHAWILCOVDFAH-LJQANCHMSA-N 396.537 4.750 0 40 GJAB C[C@@H]1CCN(C(=O)CSc2ncnc3ccccc23)c2ccccc2S1 8188668 CCESRZQPNVPEEW-CQSZACIVSA-N 381.526 4.639 0 40 GJAB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1 10446336 QZSZTDNJYBZEOG-HMMYKYKNSA-N 375.424 4.944 0 40 GJAB CCCn1c(SCc2nc3c(C)cccc3c(=O)[nH]2)nc2cc(Cl)ccc21 12520763 YQRMTHSGWTWSLY-UHFFFAOYSA-N 398.919 4.937 0 40 GJAB Cc1cccc(NS(=O)(=O)c2cc(NC(=O)C3CCCCC3)ccc2C)c1 12544794 OYTAIKSBKAGCGP-UHFFFAOYSA-N 386.517 4.623 0 40 GJAB O=C(CCSCCOc1ccc(Br)cc1)Nc1ccccc1 13015581 CRKQHAGKTRVRQM-UHFFFAOYSA-N 380.307 4.590 0 40 GJAB Cc1c(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)oc2ccccc12 14253399 IJBPAKZZWKXVCL-UHFFFAOYSA-N 390.468 4.705 0 40 GJAB Cc1cccc(C)c1NC(=O)CCCS[C@H](C)C(=O)NCCc1ccccc1 15491907 ITFSCZXWRWRSTK-LJQANCHMSA-N 398.572 4.503 0 40 GJAB Cc1nc2nc(SCc3ccccc3)nn2c(O)c1Cc1ccccc1Cl 18240907 MJOFELKOEWRSMN-UHFFFAOYSA-N 396.903 4.675 0 40 GJAB FC(F)(F)c1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCNC3)n2)c1 19330816 LLTKCVFXIMGRBO-HNNXBMFYSA-N 399.420 4.768 0 40 GJAB Cc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)c2ccccc2F)n1 19558338 IBJJOLWGXBEUBL-IBGZPJMESA-N 394.450 4.563 0 40 GJAB COc1cccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CC(C)(C)C3)c1 20796701 FVBKGDNSCQVWOB-UHFFFAOYSA-N 379.435 4.919 0 40 GJAB Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)C(C)C)c3)oc2cc1C 21578987 NGERQNCCJMJEPU-UHFFFAOYSA-N 381.501 4.889 0 40 GJAB Cc1ccc2nc(NC(=O)Cc3csc(Nc4ccccc4)n3)sc2c1 23235425 JOKFQXVYCMKPBL-UHFFFAOYSA-N 380.498 4.986 0 40 GJAB Clc1ccccc1-c1ccc(CNCc2ccccc2CN2CCOCC2)o1 23865491 TXRWLYLQVRWBBZ-UHFFFAOYSA-N 396.918 4.722 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(OC(C)C)cc1 30864580 BWJUJYMFOUHCJJ-QFIPXVFZSA-N 383.532 4.997 0 40 GJAB Cc1cccc(-c2noc(CSc3ccc(-c4ccc(F)cc4)nn3)n2)c1 33022051 RMHALCXJZGOMEG-UHFFFAOYSA-N 378.432 4.933 0 40 GJAB Cc1ccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1C 35289091 OUXIEXJJIIGFEV-FRIKZZABSA-N 379.573 4.785 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38835504 MFWSIRPZHTXAQI-CQSZACIVSA-N 381.278 4.983 0 40 GJAB Cc1ccc(C(=O)C2CCN(Cc3nc(-c4ccsc4)no3)CC2)c(C)c1 40086186 CUJBQRNQXMSEAW-UHFFFAOYSA-N 381.501 4.510 0 40 GJAB CC(C)c1ccc2c(c1)CCCN2C(=O)CCc1nc(Cc2ccccc2)no1 40133755 SNPDDDWKMITUTN-UHFFFAOYSA-N 389.499 4.696 0 40 GJAB CC(C)[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N1CCCC[C@H]1C 42944764 HQKCUOQSTQXDRT-KDOFPFPSSA-N 398.532 4.736 0 40 GJAB CCCCC(=O)Nc1c(C)c(Br)c(N)c(Br)c1CC 45890754 GVPUZOPVFRCIIB-UHFFFAOYSA-N 392.135 4.793 0 40 GJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3Cl)n2)cc1 57486830 CYZPGTIMXJQGPW-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB COC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 59210201 ZVLLXTNXGVOLIE-UHFFFAOYSA-N 384.284 4.652 0 40 GJAB CCC[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 60368302 DVVNRJVFTVGMAE-DOMZBBRYSA-N 388.430 4.576 0 40 GJAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2Cc2ccc3ncccc3c2)n1 72372577 WKGRCOREEGVOIB-HSZRJFAPSA-N 396.498 4.809 0 40 GJAB O=C(CCSc1ccccc1)N1CCC(CSCc2ccco2)CC1 90608395 WWXSYGGGEJIZHR-UHFFFAOYSA-N 375.559 4.934 0 40 GJAB O=C(Nc1ccccc1)N1C[C@H]2CN(CC(c3ccccc3)c3ccccc3)[C@H]2C1 96244928 VGBVRAUDLWKVSQ-RDGATRHJSA-N 397.522 4.667 0 40 GJAB COc1cccc([C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)OC)c1 96390050 VCCFDDCVYNVHGG-HXUWFJFHSA-N 387.907 4.664 0 40 GJAB Clc1ccccc1[C@H]1Cn2cnc(-c3nc(-c4ccccc4)no3)c2CO1 97077475 STBHLDVEJGYGKF-QGZVFWFLSA-N 378.819 4.525 0 40 GJAB Cc1ccc(C[C@H]2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)[C@@H]2C)cc1 100174034 PRZOYCUDJDYFQE-OFZZYVORSA-N 379.544 4.765 0 40 GJAB COCCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100632862 PTUWZIHJUNFZQP-LWMMKVNCSA-N 390.527 4.749 0 40 GJAB CC[C@H](C)c1ccc([C@H](N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 103317865 SAONAGZNCQTZJZ-GSHUGGBRSA-N 395.547 4.613 0 40 GJAB COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 106743582 USVPTCVIYNOFSB-PXNMLYILSA-N 377.824 4.724 0 40 GJAB CCCCOc1ccc(C(=O)NCc2ccc([C@H](O)c3ccco3)s2)cc1 206684740 IKYWJRXGYSJAGI-HXUWFJFHSA-N 385.485 4.532 0 40 GJAB CSc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c1 222594253 VZNHLQKUYZVTCZ-ZHZULCJRSA-N 392.480 4.720 0 40 GJAB COc1ccc(OCc2cc(C(=O)Nc3ccccc3OC)ccc2OC)cc1 224266702 ZFGZZYQCRYTLJH-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 224384031 GPQCBVYQCBBDIN-SFTDATJTSA-N 376.529 4.721 0 40 GJAB COc1ccc(CCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 225314137 IHANEADOQSSDLH-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB CC1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2N)CC1 226266306 BYILUWOUTODYJK-UHFFFAOYSA-N 388.309 4.520 0 40 GJAB O=C(c1ccccc1)N1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 257293052 QNYBWJUQEOJMJZ-JOCHJYFZSA-N 392.886 4.540 0 40 GJAB Cc1cccnc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257305838 SRUIOHFCRVCMLG-LJQANCHMSA-N 395.890 4.990 0 40 GJAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC5(C[C@]4(C)[C@H]3CC[C@@]12C)OCCO5 257350358 WNKZGFORAZKXGS-LPLVAOHZSA-N 376.537 4.704 0 40 GJAB COc1ccccc1NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408680059 YGUXNZAZJGLUPD-UHFFFAOYSA-N 384.435 4.745 0 40 GJAB O=S(=O)(/C=C/c1ccccc1)NCCc1ccc(-c2ccsc2)s1 575413986 CLHSRSRIERTNCM-JLHYYAGUSA-N 375.540 4.609 0 40 GJAB Cc1ccc(CC(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)s1 2037978092 ZZBAZVWMHOTXCH-QFIPXVFZSA-N 386.536 4.788 0 40 GJAB S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@H](C1)N2C1CCCC1 1370082 XCPZQPKXBWLDQZ-RTBURBONSA-N 377.985 4.955 0 40 GJAB Cc1ccc2nc3c(nc2c1)n(-c1ccccc1)c(=O)n3-c1cccc(Cl)c1 1585498 AYWFDIBOGHYTET-UHFFFAOYSA-N 386.842 4.686 0 40 GJAB COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3[C@H]2OC)cc1OC 1632228 MVHXQJNXLZHNFP-HXUWFJFHSA-N 376.836 4.529 0 40 GJAB CCOC(=O)C(C(=O)OCC)[C@H](c1ccc(Cl)cc1)c1ccccc1Cl 2036152 IYJRDJOCHMYCKN-QGZVFWFLSA-N 395.282 4.868 0 40 GJAB O=C(Cc1c(F)cccc1Cl)Nc1nnc(SCc2ccccc2)s1 2631094 HTHXGDIPBALMCL-UHFFFAOYSA-N 393.896 4.804 0 40 GJAB CC(C)Oc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 3282059 DIFCRKFVSISTMF-GFCCVEGCSA-N 396.270 4.965 0 40 GJAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC=C(c2ccccc2)CC1 3378775 MVPCFRUYJFBZJC-HNNXBMFYSA-N 385.305 4.565 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c2c(C)c(C)sc2n1 3422335 RGVRDPNJFSCJIV-JTQLQIEISA-N 392.937 4.784 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1OC 3562165 GKFSRNWVYCWJOV-UHFFFAOYSA-N 378.266 4.807 0 40 GJAB COc1cccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)c1 4883064 UEMGPHWYXVNMON-SEJPIABJSA-N 397.494 4.542 0 40 GJAB O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)c1ccccc1Cl 4922742 SJFQOQAMSJRZCM-UHFFFAOYSA-N 391.902 4.919 0 40 GJAB O=C(c1ccc(Cl)s1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 5181237 BEXQKLBSRPLGCE-UHFFFAOYSA-N 398.340 4.627 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)c1 5615102 WCISSFQDNXUVHV-UHFFFAOYSA-N 387.464 4.930 0 40 GJAB Cc1sc2nc([C@H](C)OC(=O)c3cccc4ccccc34)[nH]c(=O)c2c1C 5639947 IGAURKAFVSZZLP-LBPRGKRZSA-N 378.453 4.673 0 40 GJAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1O 6732344 RLWIRDNDTRAHJH-HRAATJIYSA-N 378.453 4.705 0 40 GJAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nnc(C)s2)cs1 7192323 UVHRYEMCELGSCS-UHFFFAOYSA-N 390.559 4.897 0 40 GJAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1-c1ccccc1 7848369 FHZNLSBDNQYEMH-GOSISDBHSA-N 399.494 4.920 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)cc1C 8040806 ZSGMGGXGFPEMOS-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB Cc1c(Cl)c(CN2CCC(C(=O)N3CCCCCC3)CC2)nc2ccccc12 8940341 OXSXKPSYJKRXJM-UHFFFAOYSA-N 399.966 4.811 0 40 GJAB C[C@@H]1CCCN(c2nc(Nc3ccccc3)c3cnn(-c4ccccc4)c3n2)C1 9573547 DJWSGLLBYDIMRF-QGZVFWFLSA-N 384.487 4.795 0 40 GJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9865551 IBOAYLZZZGANML-NRFANRHFSA-N 390.483 4.626 0 40 GJAB COc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c(OC)c1 10120022 IAIULJXSJRHQKO-UHFFFAOYSA-N 388.423 4.688 0 40 GJAB CSc1ccc(Cl)c(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c1 10903528 ZKCCTDNMASTAFF-UHFFFAOYSA-N 399.947 4.854 0 40 GJAB CC(C)(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)C3CC3)cc2n1 12219903 SDWAROZHGFIEQZ-CQSZACIVSA-N 394.441 4.509 0 40 GJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1 12462969 HIYWDTWZAQICHM-UHFFFAOYSA-N 389.499 4.797 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1C 13646034 QQQGBSLXQVOUIX-OAHLLOKOSA-N 389.879 4.848 0 40 GJAB Cc1ccc(CNc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 16292422 OHTPVXLURFKFKO-UHFFFAOYSA-N 385.511 4.570 0 40 GJAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 19081667 PXJPLGCQULKLAG-GUDVDZBRSA-N 388.602 4.672 0 40 GJAB O=C(c1cccc(F)c1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19293517 VCEBRHYCUPTILN-UHFFFAOYSA-N 391.368 4.741 0 40 GJAB CCOc1ccccc1[C@H]1c2cc3c(cc2O[C@](C)(N2CCCC2)[C@@H]1C)OCO3 20388400 LPWYMVXRDVBDOS-XRJVTAMDSA-N 395.499 4.786 0 40 GJAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 20488344 QHUFIXKBOFMTHK-GJZGRUSLSA-N 391.895 4.619 0 40 GJAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)cc1 21547822 LDNWJZBUQDJZGK-UHFFFAOYSA-N 389.864 4.520 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1C 22531786 CRVUSIOKBXCHGK-OXQOHEQNSA-N 382.504 4.628 0 40 GJAB C[C@H](c1nc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 26758889 HCPXQBCAVHACSL-CYBMUJFWSA-N 392.450 4.593 0 40 GJAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(COc3ccccc3Br)o2)C1 27971105 QNCHGEQPRDOGNC-KBPBESRZSA-N 392.293 4.739 0 40 GJAB Cc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 28291469 YMHOZYUYNGCXEV-MRXNPFEDSA-N 383.879 4.608 0 40 GJAB Cc1ccccc1-n1c(C)nnc1SCc1noc(-c2ccc(Cl)cc2)n1 29291342 UCEMOCHTVWECNH-UHFFFAOYSA-N 397.891 4.880 0 40 GJAB COc1ccc(-c2nc(C(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)cs2)cc1 29611925 NLVUFCMIZUXULM-UONOGXRCSA-N 384.423 4.670 0 40 GJAB FC(F)(F)c1cccc(-c2noc(CSc3nc4ccccc4[nH]3)n2)c1 36646766 IUQYTMKRJMDLQO-UHFFFAOYSA-N 376.363 4.924 0 40 GJAB O=C(NCc1ccccc1Cn1ccnc1)c1ccccc1CCc1ccccc1 40023564 LHWUPQCFGZJOPL-UHFFFAOYSA-N 395.506 4.647 0 40 GJAB CCOc1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)cc1 40073353 HXBCBXKJGRMNAN-UHFFFAOYSA-N 389.377 4.851 0 40 GJAB Cc1ccc(NC(=O)c2cccc(C)c2C)cc1NS(=O)(=O)c1ccccc1 40106681 JJGJAHLNGYVCKX-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)N1CCCCC1 44086677 JSXBIQNRKJUVCY-UHFFFAOYSA-N 391.540 4.952 0 40 GJAB Cc1cc(OCC(=O)Nc2cccc(C)c2C)nc(-c2ccc(Cl)cc2)n1 49006962 XCLNIILWWORBCV-UHFFFAOYSA-N 381.863 4.740 0 40 GJAB Cc1cc(C)n(-c2nc3cc(C(F)(F)F)c(Br)cc3s2)n1 57327556 HPOAPKOILYALMK-UHFFFAOYSA-N 376.201 4.880 0 40 GJAB Cc1ccc(-c2csc(NC(=O)[C@@H](OC[C@@H]3CCCO3)C(C)C)n2)cc1C 58014515 AWHSEVQBKSHSTG-HKUYNNGSSA-N 388.533 4.586 0 40 GJAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1 59418710 BLFYHABYCWKVGQ-ZKKFKWFVSA-N 399.877 4.742 0 40 GJAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C 60303673 GHBVDTADAYQQHB-UHFFFAOYSA-N 385.533 4.546 0 40 GJAB CCSC1=NC2(CCN(C(=O)Nc3ccccc3)CC2)N=C1c1ccccc1 64817706 GSNVESQDAGRBDX-UHFFFAOYSA-N 392.528 4.665 0 40 GJAB CCc1nc(CC(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)cs1 65631966 MAUOFBWOAMSHRT-UHFFFAOYSA-N 376.485 4.534 0 40 GJAB CC(C)N(CC(F)(F)F)C(=O)CCSc1ccccc1Br 72272686 YUFDCADJWXGKDC-UHFFFAOYSA-N 384.261 4.731 0 40 GJAB CN(C)Cc1nc(NCCc2nccs2)c2c(-c3ccccc3)csc2n1 95957752 GWNGEMBEUHFWTG-UHFFFAOYSA-N 395.557 4.531 0 40 GJAB Cc1ccccc1-c1nc(CN[C@@H](C)CCc2ccc(OC(F)F)cc2)no1 97164462 VYDIIWWQWPHIJT-HNNXBMFYSA-N 387.430 4.757 0 40 GJAB CCc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1 98211408 VYWGEOUWJPRRMU-UHFFFAOYSA-N 390.418 4.545 0 40 GJAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)S1 222624647 ZRHRZJNQTBBKAQ-KPOBHBOGSA-N 378.476 4.601 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1 223746455 PCLBSKYDSUUZQB-RBUKOAKNSA-N 381.526 4.637 0 40 GJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(Cl)cc1Cl 225506418 WUKQGPXNAWNLEN-CYBMUJFWSA-N 378.299 4.956 0 40 GJAB CCOc1ccccc1NC(=S)NCCCSCc1ccccc1F 225611772 YZAGJKXZGOOFJE-UHFFFAOYSA-N 378.538 4.834 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)NCc1cccnc1-c1ccsc1 225647068 NPFOWXYDPADEDI-UHFFFAOYSA-N 393.295 4.812 0 40 GJAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C(C)C 225659202 YYWPLMPQXXHLMR-UHFFFAOYSA-N 382.504 4.765 0 40 GJAB O=C1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2cc(C(F)(F)F)ccc21 225822195 BNGIWZWDWXBZBX-UHFFFAOYSA-N 393.380 4.845 0 40 GJAB CN(Cc1ccccc1)C(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225832504 REISQXBCNAAOIU-UHFFFAOYSA-N 397.478 4.995 0 40 GJAB COc1ccc2cc(C(=O)Nc3ccccc3Oc3ccccc3)c(=O)oc2c1 226043393 FSQDQYBVCZLHPP-UHFFFAOYSA-N 387.391 4.846 0 40 GJAB Nc1nc2c(Br)cc(NC(=O)c3cc4ccccc4o3)cc2s1 226311198 PYFHSXNADVNHJS-UHFFFAOYSA-N 388.246 4.640 0 40 GJAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cccc3ccccc23)CC1=O 408647830 XPKIZDRGCBCQMB-MRXNPFEDSA-N 378.859 4.793 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 408657743 IZXACTIRPKIFEM-PKOBYXMFSA-N 379.500 4.889 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)cc1C 408671987 USQFBRTYSHGULS-HXUWFJFHSA-N 385.463 4.929 0 40 GJAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)n2)cc1 408694263 HZQPEYYEOMRFPA-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1ccc(OCCCC(=O)NCCSCc2cccc(Cl)c2)cc1 408706453 VXQBLYAHKPMUGY-UHFFFAOYSA-N 377.937 4.857 0 40 GJAB CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC 408771254 FFEKSJOSDDSQIH-FBHQFGEZSA-N 398.528 4.646 0 40 GJAB O=C1S/C(=C/c2ccc(N3CCCCC3)o2)C(=O)N1CCCc1ccccc1 409123636 HVAALWGAFCKIMY-KNTRCKAVSA-N 396.512 4.939 0 40 GJAB COCCn1c(C)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1C 409131894 PKRVOCXWSYSHSJ-YVLHZVERSA-N 390.892 4.646 0 40 GJAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCc1ccoc1 613754556 QEOKGJOIASFMFA-UHFFFAOYSA-N 380.394 4.955 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 620611964 ZLDOVJAAAIYJCA-INIZCTEOSA-N 395.890 4.560 0 40 GJAB O=C(N[C@H]1c2ccccc2OC[C@@H]1F)c1ccc(C(F)(F)C(F)(F)F)cc1 1534766271 OLXWJWBDDJDUTF-ZFWWWQNUSA-N 389.295 4.542 0 40 GJAB CCOc1nc2c(C)cccc2cc1-c1nnc2c(OCC)nc3ccccc3n12 659047 SCHIKKAICISNCC-UHFFFAOYSA-N 399.454 4.599 0 40 GJAB Cc1ccc(CNC(=O)c2sc3nc4cc(C)cc(C)c4cc3c2N)cc1 915372 YBGCMQHFKUHMTK-UHFFFAOYSA-N 375.497 4.887 0 40 GJAB CCn1c(SCc2ccccc2Cl)nc2nc3c(cc2c1=O)CCCC3 2395010 DNDOTVNREGTYGS-UHFFFAOYSA-N 385.920 4.636 0 40 GJAB CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2c1 2400472 TWEJCNBDNUTTGH-UHFFFAOYSA-N 381.428 4.618 0 40 GJAB biogenic Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2sc3ccccc3c2Cl)n1 3215992 LLOJEGOTAVPLEA-UHFFFAOYSA-N 397.891 4.708 0 40 GJAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)c2c(C)c(C)sc2n1 3422337 RGVRDPNJFSCJIV-SNVBAGLBSA-N 392.937 4.784 0 40 GJAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC5(CC[C@]4(C)[C@@H]3CC[C@]12C)OCCO5 3843873 GSSIBIORSPCRIO-BZDFKLGJSA-N 376.537 4.704 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 4231038 JCEUXCXINANLPR-UHFFFAOYSA-N 382.891 4.737 0 40 GJAB Cc1cc(C)cc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1 4518077 WWLIOWWOXNQLJT-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB Cn1c(C(=O)O[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc2sccc21 4967043 VHEDCXCAPISYBT-FQEVSTJZSA-N 396.512 4.587 0 40 GJAB Cc1nc(C)c(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)s1 5040630 SHKXAXPIUFWVSD-UHFFFAOYSA-N 393.679 4.516 0 40 GJAB Cc1nc(C)c(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)s1 5040660 DXDGSPSHZUPGJD-UHFFFAOYSA-N 396.493 4.746 0 40 GJAB O=C(Nc1ccccc1)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O 5947382 XDXXNFSNDKMXPK-UHFFFAOYSA-N 388.254 4.847 0 40 GJAB COc1ccc(-c2nc(COC(=O)c3sccc3C)cs2)cc1OC 5967082 QWNPCBIXAWFJKK-UHFFFAOYSA-N 375.471 4.554 0 40 GJAB CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1Oc1ccc(Cl)cc1 6496864 PBICQJRDOWGZEX-UHFFFAOYSA-N 388.803 4.683 0 40 GJAB CSc1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 6549413 YPUORPLGFIXOKT-UHFFFAOYSA-N 399.872 4.663 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2ccc(CN3CCCC3)cc2)cc1Cl 6627287 IJGMWARJFVQSSU-UHFFFAOYSA-N 379.287 4.850 0 40 GJAB COc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1Br 6922075 IYWBGOFJMYHZHD-UHFFFAOYSA-N 398.684 4.745 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)c1C 7929049 XLGJBWAKXGTXEU-HXUWFJFHSA-N 385.463 4.929 0 40 GJAB COc1ccccc1[C@@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)N(C)C 8088757 TXJMKRLJJPPEPC-JOCHJYFZSA-N 390.483 4.520 0 40 GJAB COc1ccc(N(Cc2cccs2)C(=O)c2cncn2-c2ccccc2)cc1 8345374 LQPNONVEJPFLJO-UHFFFAOYSA-N 389.480 4.789 0 40 GJAB CCc1cccc(CC)c1NC(=S)N1CCn2cccc2[C@H]1c1cccnc1 8685154 IOKLESHEGBRGIK-JOCHJYFZSA-N 390.556 4.810 0 40 GJAB CC(C)c1nc2sc3c(=O)n(Cc4ccccc4)cnc3c2c2c1CCC2 9422803 BAISHAAYULWXPH-UHFFFAOYSA-N 375.497 4.667 0 40 GJAB COc1cc(OC)c2c(-c3ccccc3)cc(S[C@@H]3C[C@H](C)OC3=O)nc2c1 9592183 VJDRPPGDORGJLR-ORAYPTAESA-N 395.480 4.715 0 40 GJAB CCOc1cc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)nc(C)n1 11613257 RJLIGNPODZECHY-UHFFFAOYSA-N 382.851 4.833 0 40 GJAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@H](c1ccc(F)cc1F)O2)CCC3 12321403 OLKLOTDCTCJTAB-QGZVFWFLSA-N 382.362 4.575 0 40 GJAB CC(C)(C)c1cc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)n(-c2ccccc2)n1 12694267 YFLXIDPCNZJUOK-RBUKOAKNSA-N 394.563 4.620 0 40 GJAB C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(OC(F)F)cc1 13021209 FCXSOVMTMVAGJH-LLVKDONJSA-N 394.468 4.893 0 40 GJAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 13991503 ITZYIQIVZXYYPK-CCEZHUSRSA-N 390.870 4.922 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H]2c2cccs2)c1 14085808 HQPOLKWESVEQCV-IBGZPJMESA-N 382.485 4.909 0 40 GJAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]21 15769814 XNVKQUIGVYDPJL-OXUXUCFPSA-N 381.781 4.617 0 40 GJAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(Cc4ccccc4)nc32)cc1C 15842364 NGRKQMUVUSDGIY-UHFFFAOYSA-N 381.483 4.893 0 40 GJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[nH]1 18201299 JOHQTEIRUSSLDV-UHFFFAOYSA-N 392.406 4.530 0 40 GJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N[C@H](C)CCc1ccccc1 22245531 XIIMTVIEUANPRF-MRXNPFEDSA-N 379.529 4.971 0 40 GJAB Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1 22907869 FONLCULXJQRIRO-OAQYLSRUSA-N 376.525 4.586 0 40 GJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@H](O)c1ccccc1 24591259 IPHTUKOHIDOKNZ-DEOSSOPVSA-N 383.495 4.705 0 40 GJAB CSCc1nc2ccccc2n1CC(=O)N[C@@H](C)c1cc2ccccc2o1 30060640 ILXIZAPYQANMCG-AWEZNQCLSA-N 379.485 4.523 0 40 GJAB CC(=O)c1cccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1 35291782 AIASTDRMEUDJIH-UHFFFAOYSA-N 396.878 4.830 0 40 GJAB Cc1ccc(CN(C)C(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1 36185293 LEPVHNYEEQFMJP-UHFFFAOYSA-N 399.494 4.582 0 40 GJAB COc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1OCc1cccnc1 36391034 RAWBJGMNXAIRMX-UHFFFAOYSA-N 386.810 4.714 0 40 GJAB C[C@H]1Cc2ccc(-c3cc(COC(=O)c4ccc5ccccc5n4)no3)cc2O1 38769285 FEYGZUUUVVDLSJ-AWEZNQCLSA-N 386.407 4.570 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]32)C1 39252947 BQIBBYLXJDSLIR-XNONYCQISA-N 376.537 4.893 0 40 GJAB biogenic CCCCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 39843889 TVNGLEJFRUWIJY-UHFFFAOYSA-N 392.427 4.665 0 40 GJAB COc1ccc(CN(C(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)C2CC2)cc1 40114961 KTCTWPMUGJAGNC-UHFFFAOYSA-N 381.472 4.557 0 40 GJAB O=C(NCc1nc2ccccc2[nH]1)c1cc2sccc2n1Cc1ccccc1 40787175 FYJUELNWZISYOY-UHFFFAOYSA-N 386.480 4.557 0 40 GJAB O=C(c1cc(Nc2cccc(Cl)c2)c2ccccc2n1)N1CCSCC1 44169634 VPUUBCGURQMEML-UHFFFAOYSA-N 383.904 4.821 0 40 GJAB Cc1c(C(=O)Nc2cccc(CN3CCCC3=O)c2)oc2c(Cl)cccc12 46736005 ADQDXYWQHVEFMB-UHFFFAOYSA-N 382.847 4.769 0 40 GJAB C[C@@H](c1ccccc1)N(C)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 57358778 OZTYMLZXSCXFTG-ZDUSSCGKSA-N 386.908 4.637 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2CN2C(=O)c3cccc4cccc2c34)c1 57406586 KRKYIIDGIGPGNW-FQEVSTJZSA-N 388.467 4.612 0 40 GJAB CS(=O)(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 57722421 LGMIRDHCEKEKPF-FQEVSTJZSA-N 390.508 4.516 0 40 GJAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2cccc(Oc3ncccn3)c2)S1 71286164 NHJPYXVTPZPVDL-MRXNPFEDSA-N 381.461 4.638 0 40 GJAB CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1NC1CCCCC1 72214058 SYSQDRWJDXZVDB-UHFFFAOYSA-N 375.513 4.704 0 40 GJAB CCn1ccnc1CN1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72350302 BWTOJDLGEQHEBB-UHFFFAOYSA-N 394.950 4.922 0 40 GJAB COc1ccc(C)c(NC(=O)c2csc(COc3ccc(Cl)cc3)n2)c1 79104768 DSHOBLYLVFRYLE-UHFFFAOYSA-N 388.876 4.945 0 40 GJAB Cc1ccccc1Cc1nc2ccccc2n1C[C@@H](O)COc1ccccc1C 82086472 XKZPYYVSYFEYER-OAQYLSRUSA-N 386.495 4.684 0 40 GJAB NCCc1cn(Cc2cccc(OCC(F)(F)C(F)F)c2)c2cc(F)ccc12 83324652 UMPCHHMMENJIGK-UHFFFAOYSA-N 398.375 4.609 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)N3C[C@@H]4CCCC[C@@]43c3ccccc3)c12 84066709 RVRJGGSDHCZEAE-MHECFPHRSA-N 387.483 4.950 0 40 GJAB Cc1ccc(C(=O)CCC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 84148613 VPLKZDKFIGSTOI-UHFFFAOYSA-N 379.500 4.535 0 40 GJAB CS[C@@H](C)c1cccc(NC(=O)NCc2ccc(F)c(CN(C)C)c2)c1 84656176 DMVRRPMOLTXDDD-AWEZNQCLSA-N 375.513 4.633 0 40 GJAB FC(F)(F)c1cc(Br)ccc1N1CCN(Cc2ccccc2)CC1 95080918 AKUHKHFFEWFBKQ-UHFFFAOYSA-N 399.254 4.790 0 40 GJAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5nc(C)cs5)(C4)C2)C3)cc1 100775269 ICRPXYHSUJCNKF-KILAXVPQSA-N 382.529 4.937 0 40 GJAB COc1cccc(N2C(=O)/C(=C\Nc3cccc(C)c3C)c3ccccc3C2=O)c1 103706712 VJRUHICKKKZWRM-JCMHNJIXSA-N 398.462 4.952 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1cccc(C)c1 216439299 FDYDYDBCJVTDBB-LJQANCHMSA-N 377.937 4.855 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NC(C)(C)C 223539070 AFCIEEXLAVWAAE-INIZCTEOSA-N 387.351 4.815 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1cc(C)ccc1C 224024952 AUMPDVQQDABORH-OAQYLSRUSA-N 377.484 4.809 0 40 GJAB CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 224737223 OJOUDPGOHQAIBU-UHFFFAOYSA-N 395.105 4.581 0 40 GJAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224814049 CYHRDGUIETVJFB-UHFFFAOYSA-N 397.496 4.586 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)[nH]1 224890397 GZZHDBPJUZWOBI-VQTJNVASSA-N 380.492 4.651 0 40 GJAB O=C(Nc1ccccc1Br)c1snnc1-c1ccc(Cl)cc1 225769802 OEQDMWWBYRRBIT-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 225781880 LDFISOHSWNEQMQ-AWEZNQCLSA-N 389.879 4.964 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225802513 GDYLOIIHGJKLNO-KRWDZBQOSA-N 381.501 4.926 0 40 GJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225826690 KUWWSUPUBCLNMU-QFIPXVFZSA-N 393.524 4.822 0 40 GJAB CC1CCN(c2cc(Oc3ccccc3)nc(NC(=S)NC(C)(C)C)n2)CC1 225895063 JGNHJDCDAGECJD-UHFFFAOYSA-N 399.564 4.590 0 40 GJAB CC(C)n1nccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257312402 UNUVIKFGBDYFBT-LJQANCHMSA-N 396.466 4.549 0 40 GJAB O=C(NC(=S)Nc1cccc(F)c1)c1cccc(OCc2ccccc2)c1 408619188 GNGXWQCKYMWJFV-UHFFFAOYSA-N 380.444 4.532 0 40 GJAB O=C(Cc1ccccc1)Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1 408713289 RQFQKZYRHVIHKJ-UHFFFAOYSA-N 378.497 4.709 0 40 GJAB O=C(Nc1sc2c(c1C(=O)Nc1cccnc1)CCCC2)c1ccc(F)cc1 409110886 AQFMVLGEJQHMKQ-UHFFFAOYSA-N 395.459 4.666 0 40 GJAB FC(F)(c1ccc(Cl)c(Cl)c1)c1noc(-c2cn3ccnc3s2)n1 558360426 JQBVYWBFXBPTAZ-UHFFFAOYSA-N 387.198 4.893 0 40 GJAB O=C(Cc1noc2ccccc12)N1CCCCCCCc2ccccc2OCC1 643584157 HDMSFMBFWBONDW-UHFFFAOYSA-N 392.499 4.785 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)CCc2ccc(F)cc2)CN1c1cccc(F)c1 1615117346 BGIMBFBXVYUOHF-DEOSSOPVSA-N 398.497 4.948 0 40 GJAB Cc1cccc(CN2CCc3nc[nH]c3[C@@H]2c2ccccc2)c1Br 1648382478 OLTUVBHZCPBVLQ-FQEVSTJZSA-N 382.305 4.628 0 40 GJAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)cc1 724760 SMZIVSLWOAOIEX-UHFFFAOYSA-N 397.500 4.753 0 40 GJAB COc1cccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)c1 1369008 UEMGPHWYXVNMON-SFTDATJTSA-N 397.494 4.542 0 40 GJAB CCOC(=O)CSc1nc2ccccc2n1Cc1c(F)cccc1Cl 1381414 BEXVYFWXIZNPJJ-UHFFFAOYSA-N 378.856 4.532 0 40 GJAB CCCn1nc(NC(=O)c2ccc(OCC)cc2)c2cc3cccc(C)c3nc21 2412865 HJYQTLMWXACXOI-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@H]1c1ccccc1Cl 2483816 MFMINLVRXWLJNQ-IBGZPJMESA-N 389.929 4.930 0 40 GJAB O=C(OCC(=O)N1CCCC1)c1sc2cc(Cl)cc(Cl)c2c1Cl 2648751 VZWJRSYWQUYCFL-UHFFFAOYSA-N 392.691 4.641 0 40 GJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1ccccc1Cl 3219264 YLKIXOPIKIASOU-UHFFFAOYSA-N 394.858 4.563 0 40 GJAB O=C(CNc1ccc(Cl)cc1)COC(=O)CCc1ccc(-c2ccccc2)o1 3340118 LFFRXGWKJBGZJJ-UHFFFAOYSA-N 397.858 4.757 0 40 GJAB COc1cc(C(=O)Nc2cc(F)ccc2C)ccc1OCc1c(C)noc1C 3419595 SDULHEIWHFFKHW-UHFFFAOYSA-N 384.407 4.579 0 40 GJAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 4556829 RQZAXGRLVPAYTJ-CNILUYSSSA-N 384.516 4.575 0 40 GJAB COc1ccc(-c2csc(-c3cc4ccc(OC(C)=O)cc4oc3=O)n2)cc1 4599206 SURDZTBGWZQBBO-UHFFFAOYSA-N 393.420 4.517 0 40 GJAB COc1ccc([C@H]2SCCN2C(=O)Nc2ccc(Cl)cc2)cc1OC 4941170 JYPHRKUNKFLYSI-QGZVFWFLSA-N 378.881 4.637 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1cccc(Cl)c1 5136187 PBIIRGDZPZEURU-UHFFFAOYSA-N 380.831 4.778 0 40 GJAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1 5864752 MWSYKNLLVFPTOL-KRWDZBQOSA-N 394.515 4.765 0 40 GJAB CCCCNS(=O)(=O)c1ccc2c(c1)nc(Cc1ccccc1)n2CCCC 6167887 ZUUROVIAAGEWJJ-UHFFFAOYSA-N 399.560 4.506 0 40 GJAB CN1CCN(c2ncnc3sc(-c4ccccc4)cc23)[C@H](c2ccccc2)C1 6550933 ULJRGQYLDMOZIX-FQEVSTJZSA-N 386.524 4.851 0 40 GJAB Cc1occc1-c1nnc(SCCOc2ccc(Br)cc2)o1 7194379 QZWNVVBZNVZRAZ-UHFFFAOYSA-N 381.251 4.572 0 40 GJAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8041829 QPXSABQMEPMVKE-GOSISDBHSA-N 389.524 4.966 0 40 GJAB O=C(COc1ccc(F)cc1Cl)N[C@@H](c1ccc(F)cc1)c1cccs1 8070183 MBHUYXPUFMYUSL-IBGZPJMESA-N 393.842 4.964 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1-n1cncn1 8327479 VCDSVANBTUQPSU-UHFFFAOYSA-N 381.745 4.584 0 40 GJAB CC(C)Sc1ncc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 8916973 ITVFBHPRIKVWLM-UHFFFAOYSA-N 375.803 4.902 0 40 GJAB CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1 8917237 MRQKGYDTCHGIAV-NRFANRHFSA-N 391.467 4.927 0 40 GJAB Cc1ccc2nc(C)c(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)cc2c1 11201491 PFDMGMLKQCVSMS-UHFFFAOYSA-N 385.423 4.949 0 40 GJAB O=C(COc1ccc(Cl)cc1Br)N[C@H](c1ccccc1)C1CC1 11212249 BSMDSTDQGHKSLB-GOSISDBHSA-N 394.696 4.749 0 40 GJAB CCCCSc1nnc(NC(=O)c2cc(Br)cs2)s1 11690092 CHGILCHGFNDSRZ-UHFFFAOYSA-N 378.342 4.507 0 40 GJAB CSCC[C@H](NC(=O)Cc1c(F)cccc1Cl)c1nc2ccccc2[nH]1 12681052 JXVHUSAUMWPYQR-KRWDZBQOSA-N 391.899 4.509 0 40 GJAB CC(=O)c1c(C)cc(C)c(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1C 12697886 HGLRDHFSKYJEOR-UHFFFAOYSA-N 380.532 4.810 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1cccc(Cl)c1 12753343 QZHMYVSUYXCKON-UHFFFAOYSA-N 380.879 4.967 0 40 GJAB O=C(/C=C/c1c(F)cccc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12921814 CKLNOONUUMDEKT-KOEDOTQGSA-N 387.838 4.627 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1c(C)c(C)cc(C)c1C 14171350 ZLEQXFJRHQNQMB-UHFFFAOYSA-N 386.517 4.618 0 40 GJAB COc1cc(C(C)=O)ccc1Oc1nc2c(Cl)c(C)nn2c2ccccc12 14247141 LKLHEZMOIRTPEK-UHFFFAOYSA-N 381.819 4.848 0 40 GJAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C)c2C)o1 15881434 HOVCZGQLFOAQPU-UHFFFAOYSA-N 388.471 4.899 0 40 GJAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 20632644 INMBNSHUPLSKQH-ZDUSSCGKSA-N 386.908 4.583 0 40 GJAB Cc1nc2nc(SCc3ccccc3)nn2c(N)c1-c1cccc(Cl)c1 20676187 GNDLUDIQZGHFBB-UHFFFAOYSA-N 381.892 4.628 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1Cl 22527519 ZVWPDWULHDEAJL-UHFFFAOYSA-N 375.852 4.658 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1Cl 22535139 JZQOJUWMKJDHSW-LJQANCHMSA-N 389.879 4.930 0 40 GJAB C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)c1ccc2c(c1)NC(=O)CO2 26040129 GXAJHHJLVFPCCP-GFCCVEGCSA-N 396.493 4.505 0 40 GJAB Cc1cc(C)c2oc(C(=O)Nc3nc(-c4ccc(C)s4)ns3)cc(=O)c2c1 28291178 UIWCAFKEBWUTOC-UHFFFAOYSA-N 397.481 4.551 0 40 GJAB CCn1ncc(Br)c1C(=O)Nc1ccccc1Cc1ccccc1 28304383 MYXPHHQZMNOWAY-UHFFFAOYSA-N 384.277 4.509 0 40 GJAB Cc1nc(-c2ccccc2)nc2c1c(N)nn2Cc1ccc(Cl)cc1Cl 28444109 BCUAVIIIXCFGKP-UHFFFAOYSA-N 384.270 4.739 0 40 GJAB COc1ccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 28579240 FQVIBPZQYRLKJE-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H](CCC)[C@]3(OC(=O)C4=C3CCC=C4)[C@H]21 33830829 TYSOMZQRYGBSKN-DRQJQJQISA-N 380.484 4.922 0 40 GJAB biogenic,in-vitro Cc1cc(C)n(CCN(C(=O)c2ccc(F)cc2)c2nc3ccccc3s2)n1 35597603 DBLLCJWARXMUFU-UHFFFAOYSA-N 394.475 4.596 0 40 GJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(Cl)cc1F)CC(O)=N2 36356980 QRAGDDSXBGLQNA-NSHDSACASA-N 392.221 4.540 0 40 GJAB CCOc1ccc(NC(=O)N(CC)Cc2cc(=O)[nH]c3c(C)cc(C)cc23)cc1 41076925 RWXMAALDQNZEHB-UHFFFAOYSA-N 393.487 4.598 0 40 GJAB Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccc(C)cc2)cc1 44086535 DQDXMJRZBXETKQ-UHFFFAOYSA-N 379.529 4.773 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3csc(-c4cnn(C)c4)n3)n2)cc1C 46896365 AFLWMMIWWMHIAV-UHFFFAOYSA-N 395.513 4.536 0 40 GJAB O=C(CCc1ccccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 49936961 LKJNSGAGWZYBKL-UHFFFAOYSA-N 396.840 4.640 0 40 GJAB CCOC(=O)c1c(C)nc2n(CCOc3ccccc3Cl)c3ccccc3n12 51325942 PFVRBZXPAKKPAI-UHFFFAOYSA-N 397.862 4.507 0 40 GJAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc([S@](C)=O)cc1)C1CC1 56223652 KTAWEMTWCVHYTG-PFUSGODGSA-N 395.446 4.809 0 40 GJAB CC(C)(C)OCCSc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 58377263 DLMWCZKXTRYROH-UHFFFAOYSA-N 378.494 4.698 0 40 GJAB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(O)C[C@@H](c3cccs3)CC1=N2 102713534 QBBKSTSZUCMONY-JEOXALJRSA-N 398.438 4.991 0 40 GJAB Cc1ncsc1CNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 104467047 XHAOKNXRWNRIFV-UHFFFAOYSA-N 393.487 4.988 0 40 GJAB Cc1cc2nc(CCNC(=O)c3c(C)c4cc(Cl)ccc4n3C)[nH]c2cc1C 141598681 SPHCHLLJASQAOK-UHFFFAOYSA-N 394.906 4.606 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 223594083 NVKXPCYCRYENMJ-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB O=C(NCCOc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 224380069 ADOVNOYTIRDTAF-UHFFFAOYSA-N 393.508 4.667 0 40 GJAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224390784 WYYIJOOHCBIOOB-PMACEKPBSA-N 380.492 4.780 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 224677457 FSLKVHDJQSAXFV-OPAMFIHVSA-N 393.483 4.892 0 40 GJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 225700414 NAFOOWVNUPLUPY-NRFANRHFSA-N 398.572 4.501 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)N[C@@H](C)CC 225722124 ZRWRALKNXQMUHS-SUMWQHHRSA-N 387.351 4.815 0 40 GJAB CCO[C@@](C)(C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1)C1CC1 225725914 ZIZFXQVYPPABJX-HXUWFJFHSA-N 383.916 4.678 0 40 GJAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccccc3)n2)cc1 408694675 LRZBANKXTGSTAH-UHFFFAOYSA-N 398.466 4.894 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1nc2ccccc2s1 675008244 LIPKUQMTUUWQGE-CYBMUJFWSA-N 386.523 4.550 0 40 GJAB CC1=C[C@@H](C)[C@]2(COC(=O)CN3CCCCC3)CO[C@@H](c3ccccc3)[C@H]1[C@H]2C 758963 HNJMMPWWHNRBHV-FFNHNOQQSA-N 397.559 4.622 0 40 GJAB biogenic Cc1ccc2nc(Cl)c([C@@H]3NC(=O)c4c(sc5c4CCCC5)N3)cc2c1 873102 NSEYKFZLYLZJGX-GOSISDBHSA-N 383.904 4.991 0 40 GJAB COc1ccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)cc1OC 1342848 WUDHYSMQVZEECD-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB CCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(C)c1)Nc1ccccc1-2 2093097 URLLMKCYMKUJRC-IBGZPJMESA-N 394.500 4.861 0 40 GJAB Fc1ccccc1[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@H]2c1ccccc1 2253371 NKCJQCUJJLVPOV-PKTZIBPZSA-N 396.425 4.630 0 40 GJAB CC(=O)Nc1ccc(S[C@H](C)C(=O)c2ccc(Br)cc2)cc1 2622895 IFZLQBQUCZEIST-LLVKDONJSA-N 378.291 4.771 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1cccc(Cl)c1 2644166 VILLUEGVBKQRMW-UHFFFAOYSA-N 388.298 4.785 0 40 GJAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NCCC1=CCCCC1 2656756 ZHRIVCBWESZJFU-UHFFFAOYSA-N 397.902 4.957 0 40 GJAB O=S(=O)(Nc1cnn(Cc2cccc(Cl)c2)c1)c1ccc2ccccc2c1 2790900 QDFFXUKQVNGKDR-UHFFFAOYSA-N 397.887 4.539 0 40 GJAB COc1ccc(OC)c([C@@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)c1 3120629 XJXKMAKJQACSNW-ZEQRLZLVSA-N 390.435 4.606 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nnc(CC(C)C)s3)cc12 3170978 QFCHDLUZWXPLLE-UHFFFAOYSA-N 397.529 4.698 0 40 GJAB COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 3263835 YPUMLBZTDHDYAT-SBKJXLNCSA-N 394.254 4.586 0 40 GJAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccccc1F 3319170 ITPULLKABSYQEP-UHFFFAOYSA-N 381.787 4.628 0 40 GJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C1=O 4648600 OGYDCJFUXPSLAM-VBEHJTROSA-N 399.468 4.876 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N2CCCC[C@@H]2Cc2ccccc2)cc1 4709720 WCTMWBKBTGPFSP-HXUWFJFHSA-N 382.529 4.657 0 40 GJAB CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC 4802602 HLUKKPLFWYYSGY-UHFFFAOYSA-N 398.222 4.526 0 40 GJAB Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2)cc1 4815056 ZDASPAJCAJIWDW-XZOQPEGZSA-N 394.478 4.968 0 40 GJAB Cc1cc2oc(=O)cc(CSc3nnc(C)n3Cc3ccccc3)c2cc1C 4985092 BTRYOZYFIGGFDG-UHFFFAOYSA-N 391.496 4.650 0 40 GJAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 6434762 QRIZNVXMSFVJCX-UHFFFAOYSA-N 398.768 4.686 0 40 GJAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(Cl)c3)n2C)cc1 6963722 ZCOIQJDIHJGGKX-XDOYNYLZSA-N 386.904 4.855 0 40 GJAB CCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 7236882 VYSGZEPNMZTXJN-MRXNPFEDSA-N 395.528 4.511 0 40 GJAB C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@@H]1c1cccn1C 7854098 CQPDJPZKKZTSOW-FDDCHVKYSA-N 389.499 4.982 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1cn(Cc2ccccc2)nc1-c1ccccc1 7986400 LEGPKHNRAWZIEY-UHFFFAOYSA-N 397.434 4.579 0 40 GJAB COc1cc(C)c(CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1OC 8036511 FQOGICOHUQYGDZ-UHFFFAOYSA-N 381.501 4.763 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 8434291 NJKXEIVVYMUTQY-HUUCEWRRSA-N 396.874 4.580 0 40 GJAB FC(F)(F)c1ccc(COc2cccc3ccc(N4CCOCC4)nc23)cc1 8769715 QYCQHSSGQHXIIJ-UHFFFAOYSA-N 388.389 4.669 0 40 GJAB O=C(CNc1ccccc1Oc1ccccc1)Nc1ccc2c(c1)OCCCO2 9379493 HJNWSCJDSCGSEO-UHFFFAOYSA-N 390.439 4.691 0 40 GJAB COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Cl)c(Cl)c1 12444031 GWMCWTDCOAUQMU-UHFFFAOYSA-N 380.206 4.579 0 40 GJAB CC(C)n1nnnc1SCc1nc2cc(Cl)ccc2n1Cc1ccccc1 12529929 WEHKXZRILRKDJQ-UHFFFAOYSA-N 398.923 4.598 0 40 GJAB O=C(OC[C@@H]1CC1(Cl)Cl)c1ccccc1C(=O)c1ccc(Cl)cc1 12905744 NZHIQOJEGHMZCE-LBPRGKRZSA-N 383.658 4.922 0 40 GJAB C[C@@H](NC(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1 12920224 VKLJNQKKSCJXRB-IAGOWNOFSA-N 393.556 4.742 0 40 GJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2cccc3cccnc23)s1 14093425 RDVHWJXJKREGDZ-UHFFFAOYSA-N 377.444 4.987 0 40 GJAB O=C(Nc1nc2ccc(F)cc2s1)c1ccccc1C(=O)c1ccccc1 14343280 VQPNLLUPECYEGE-UHFFFAOYSA-N 376.412 4.919 0 40 GJAB Clc1cccc(-n2ncc3c(NC45CC6CC(CC(C6)C4)C5)ncnc32)c1 17150053 MLFDZPJNQUCSPK-UHFFFAOYSA-N 379.895 4.850 0 40 GJAB CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccccc12 19942963 OHMWYPLKQFDLSN-CALCHBBNSA-N 375.534 4.685 0 40 GJAB CC[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(OC)cc1 20458355 QHKCPNQAYFSLRU-SFHVURJKSA-N 381.900 4.988 0 40 GJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3c(C)noc3C(C)C)cc2)n1 23012535 COJZNVLYDKZKQR-UHFFFAOYSA-N 382.489 4.917 0 40 GJAB COc1ccc(-c2nn3c(NCc4ccccc4)cc(C)nc3c2C)cc1OC 23118845 CVWDBNCGFQMSHM-UHFFFAOYSA-N 388.471 4.642 0 40 GJAB CCCCn1nc(C)c(/C=C/C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1Cl 23878718 ARVPISYXZCHIHH-CRALRDPISA-N 381.854 4.814 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N1CCCC[C@H]1c1nc2ccccc2s1 24383883 HAYDMKHLPBEIRM-KRWDZBQOSA-N 390.464 4.770 0 40 GJAB CCc1nc2ccc(C(=O)N(C)c3nc4ccccc4s3)cc2nc1CC 26961502 UEKRVRRJJLQAHR-UHFFFAOYSA-N 376.485 4.641 0 40 GJAB COc1ccc(OCC(=O)N2CCCC[C@@H]2CCSc2ccccc2)cc1 27987739 CAFFSEBIXKSSCK-GOSISDBHSA-N 385.529 4.638 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)c3ccc(OC(C)C)cc3)cs2)cc1 27990197 ATRYRJPWFTZBMM-UHFFFAOYSA-N 380.513 4.878 0 40 GJAB Cc1cc(C)c(CSc2nnc(-c3cccc(C)c3C)c(=O)n2C)c(C)c1 28527410 BHQWLQGESHHZCF-UHFFFAOYSA-N 379.529 4.677 0 40 GJAB Cc1nc2ccc(C(=O)Oc3ccc(C4SCCS4)cc3)cc2nc1C 32740701 OUNAOUUPYQLZTF-UHFFFAOYSA-N 382.510 4.944 0 40 GJAB CCC(CC)[C@@H](NC(=O)Cc1cc(OC)c(OC)c(OC)c1)c1ccccc1 32915558 DAEOZXUSVSGLAA-JOCHJYFZSA-N 385.504 4.549 0 40 GJAB O=C(CCc1cccs1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 48285574 PTIIOIQOLLIHNM-UHFFFAOYSA-N 381.453 4.627 0 40 GJAB O=[S@@](Cc1cc(Cl)c2c(c1)OCCCO2)Cc1ccc(F)cc1Cl 69820440 YUVAUHXJEDVMMY-XMMPIXPASA-N 389.275 4.743 0 40 GJAB CCOc1ccc(-c2nc(C)c(C(=O)Nc3cc(C(F)(F)F)no3)s2)cc1 72311490 BBSBXOJNBFPJML-UHFFFAOYSA-N 397.378 4.776 0 40 GJAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4csc(C)n4)C3)n2)c1 72350051 SYMKLPBTVRDZHV-IBGZPJMESA-N 391.540 4.771 0 40 GJAB COC(=O)Nc1ccc(OC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 83891489 OHPLHAFLVPGKKT-UHFFFAOYSA-N 381.409 4.705 0 40 GJAB CSc1cnn(-c2ccccc2)c1NC(=O)c1ccc(C(F)(F)F)nc1C 95965065 WCNJWKBERDIFDY-UHFFFAOYSA-N 392.406 4.569 0 40 GJAB O=C(CCc1ccccc1F)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 96103573 WLXWQYZNKAHMRU-UHFFFAOYSA-N 376.387 4.755 0 40 GJAB O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccc2nc(C(F)(F)F)[nH]c2c1 96231445 GPTHJXAADYTIMZ-MRXNPFEDSA-N 398.388 4.870 0 40 GJAB Cc1cccc(C)c1NC(=O)N1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2 100426388 BDINZIPLHOMKDR-NHCUHLMSSA-N 391.515 4.651 0 40 GJAB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 101629851 SVBDUOMXSTZOEP-VLDBVROHSA-N 399.446 4.768 0 40 GJAB CC(C)(C)OC(=O)N1CCC(Cc2ccc(Cl)cc2Cl)(C(=O)O)CC1 167631112 XJOGETBMNHHJRS-UHFFFAOYSA-N 388.291 4.638 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(C(C)C)cc1)CC(C)(C)O2 218962788 SJPXKCZLWLREKU-FQEVSTJZSA-N 383.488 4.616 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCOc2ccccc2Cl)cc(C)c1Cl 224137765 UTOIBNNCNVIAPM-CQSZACIVSA-N 382.287 4.573 0 40 GJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 302769370 YZHSOVPAGHCMHN-UHFFFAOYSA-N 381.259 4.668 0 40 GJAB O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 408619075 FXWNCEBYOWTFCI-UHFFFAOYSA-N 398.353 4.913 0 40 GJAB O=C1CC[C@@]2(CCCN(c3ncc4sccc4n3)CC2)N1CC1CCCCC1 585100216 HYACQUJKOGUINJ-JOCHJYFZSA-N 398.576 4.623 0 40 GJAB CCCCC(F)(F)C(=O)CC[C@@H]1C(CCCCCCC(=O)O)=C([O])C[C@H]1O 1560406752 WVYMZSPHJKKFHK-NVXWUHKLSA-N 389.459 4.652 0 40 GJAB CC(C)Cc1cc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)on1 1615160263 YLQZTCSXRARMPU-UZLBHIALSA-N 399.510 4.532 0 40 GJAB CCN1Cc2ccccc2NC2(CCN(Cc3ccc(Cl)cc3)CC2)CC1=O 2037985394 ILJYBPFMHATRBR-UHFFFAOYSA-N 397.950 4.539 0 40 GJAB CCOc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1 682399 UJBPDTFNIXEQSC-UHFFFAOYSA-N 399.082 4.863 0 40 GJAB Cc1cnc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)s1 2639524 KWZKAEKKAZDPKL-KRWDZBQOSA-N 399.903 4.605 0 40 GJAB CCOc1ccc2nc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)sc2c1 2651580 XOPLBWXYSGBGFR-KRWDZBQOSA-N 398.484 4.505 0 40 GJAB CCC(C)(C)c1ccc(OCCCC(=O)O[C@@H](C)C(N)=O)c(C(C)(C)CC)c1 2663308 YDXYHCSBOWCYKF-INIZCTEOSA-N 391.552 4.638 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc1 3008127 QBZVNZISBWOHFO-UHFFFAOYSA-N 397.475 4.798 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 3072088 MATPIZLQVBYFSL-LLVKDONJSA-N 382.243 4.576 0 40 GJAB Cc1ccc(C)c(OCc2nnc(SCC(=O)c3cc4ccccc4o3)o2)c1 3284561 WLARRRPLBKTUSZ-UHFFFAOYSA-N 394.452 4.987 0 40 GJAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(F)cc1)c1nc3ccccc3nc12 4185795 IFLXSOWFCLCCJF-XZOQPEGZSA-N 375.447 4.737 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3n2CC(C)C)c1C 4254669 UBYDXJIQIIYHMF-UHFFFAOYSA-N 383.517 4.815 0 40 GJAB O=C(NCc1ccccn1)c1csc(Nc2ccc(Cl)c(Cl)c2)n1 4675455 BFILRWGVKHRSSL-UHFFFAOYSA-N 379.272 4.519 0 40 GJAB COc1ccc2ccccc2c1/C=C/[C@@]12NC(=O)CN1c1ccc(C)cc1C2(C)C 5249652 YJBUDQYOPAHZKR-JBXKERDYSA-N 398.506 4.794 0 40 GJAB CCC[C@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(OC(C)C)cc1 6265383 LDAJRIAODYMKGN-SCLBCKFNSA-N 389.521 4.749 0 40 GJAB Cc1ccc(C(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 6501853 MIGQJIBZZMTFEA-UHFFFAOYSA-N 399.899 4.993 0 40 GJAB COc1ccccc1CNc1nc2c(-c3cccc(F)c3)nnn2c2ccccc12 6738902 FPCNMJUYQCURIX-UHFFFAOYSA-N 399.429 4.704 0 40 GJAB COc1ccc(-c2nnc3sc(-c4ccc(C(F)(F)F)cc4)nn23)cc1 8715074 TXQLSWSVAKWVKX-UHFFFAOYSA-N 376.363 4.547 0 40 GJAB CC(=O)Nc1cccc(NC(=O)Cc2cn(Cc3ccccc3)c3ccccc23)c1 9523563 XQLICGZJFITMTO-UHFFFAOYSA-N 397.478 4.829 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(C(F)(F)F)cc3)o2)cc1 10274967 MTECPWQRIJOWSN-UHFFFAOYSA-N 388.389 4.918 0 40 GJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(Cl)cc1F 10511528 GEVBVOZPIOMNQS-UHFFFAOYSA-N 396.853 4.863 0 40 GJAB CN(Cc1cccc(Cl)c1Cl)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 12814476 OGQNMPLEXSYBDS-SFHVURJKSA-N 381.278 4.584 0 40 GJAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)[C@H]2Cc3ccccc3O2)n1 12823801 IOFXZWZVCUELML-GOSISDBHSA-N 375.453 4.542 0 40 GJAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(F)cc1F 12937443 FVFAICGNQNFBOA-OAQYLSRUSA-N 384.451 4.613 0 40 GJAB CC(C)c1ccccc1NC(=O)CSc1nnc2ccc3ccccc3n12 15831996 YYAGKEGVLNDUAL-UHFFFAOYSA-N 376.485 4.737 0 40 GJAB Cc1cccc(-c2n[nH]c(SCc3nnc(-c4ccc(Cl)cc4)o3)n2)c1 19927558 UFHSAEGPCDGTSL-UHFFFAOYSA-N 383.864 4.776 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCc2ccccc21 20482192 IZYOHKYHBKFNID-HXUWFJFHSA-N 388.964 4.780 0 40 GJAB COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 22075104 UFHOGLLBTUQNFZ-OAQYLSRUSA-N 397.902 4.751 0 40 GJAB O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 22507558 DOJRPDXEDBTJAT-UHFFFAOYSA-N 389.430 4.949 0 40 GJAB CCc1nc2sc([C@H](c3ccccc3Cl)N3CCC(C)CC3)c(O)n2n1 22853266 UNTAOCUMUUIHQC-INIZCTEOSA-N 390.940 4.534 0 40 GJAB c1csc(-c2nnc(CSc3nnc(NC4CCCCC4)s3)o2)c1 23873412 NQLHKSFFUHHUDU-UHFFFAOYSA-N 379.536 4.687 0 40 GJAB O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1SCc1cscn1 24840487 ZDHYPDUZCNYIBO-QGZVFWFLSA-N 382.510 4.689 0 40 GJAB CCN(CC)Cc1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 24926655 UCTHHYBADZWVAD-UHFFFAOYSA-N 385.558 4.895 0 40 GJAB O=C(CS[C@@H](Cc1ccccc1)C(=O)c1ccccc1)Nc1ccccc1 27825271 KDFNDCGSVZMVFB-NRFANRHFSA-N 375.493 4.853 0 40 GJAB CCCOc1ccc(-c2nsc(NC(=O)c3cccc(C)c3)n2)cc1OC 28287276 FYNTUNGUXKECIE-UHFFFAOYSA-N 383.473 4.563 0 40 GJAB O=C(Nc1cccc(C(=O)Nc2nc(C3CC3)cs2)c1)c1ccc(F)cc1 30643131 VTBQRZSLRKOREE-UHFFFAOYSA-N 381.432 4.664 0 40 GJAB O=C(Nc1nc(CN2CCCC2)cs1)c1cc2c(s1)CCCCCC2 32978576 XSHRCMWYYJUSHC-UHFFFAOYSA-N 375.563 4.712 0 40 GJAB Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C(=O)Nc2cccc(C)c2)cc1 35311796 BUUHBULZYUGKIT-FRIKZZABSA-N 391.515 4.651 0 40 GJAB Cc1cc(C(=O)Nc2ccccc2Cl)c2c(C)nn(-c3ccccc3)c2n1 36616921 BJQSRTPKDZSAHQ-UHFFFAOYSA-N 376.847 4.943 0 40 GJAB CC(C)NC(=O)NCc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1 40118538 HPDMBFNTPZXJRR-FQEVSTJZSA-N 399.510 4.551 0 40 GJAB Cc1ccc(-c2csc3nc(/C(Cl)=C/c4csnn4)nc(O)c23)cc1 40139728 WUUJFPVIRANSMA-MLPAPPSSSA-N 386.889 4.961 0 40 GJAB Cc1cccc(C2=N/C(=C/c3ccccc3OCCOc3ccccc3)C(=O)O2)c1 41108837 URTKPEFDNFMNIN-OQKWZONESA-N 399.446 4.797 0 40 GJAB Cc1cc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC(C)CC4)cc3)cc2c1 57712751 XJRJKUDIPJGBJA-UHFFFAOYSA-N 375.516 4.993 0 40 GJAB COc1ccccc1N1CCN(Cc2csc(Nc3ccc(C)cc3)n2)CC1 58159096 IJDMIWWOODZXDJ-UHFFFAOYSA-N 394.544 4.526 0 40 GJAB Cc1ccc(F)cc1NC(=S)Nc1ccc(I)cc1 71761595 HUSCHTPZVMPYQU-UHFFFAOYSA-N 386.233 4.548 0 40 GJAB CN(C)c1ccc(-c2cncc(C(=O)N3CCCc4cc(F)cc(F)c43)c2)cc1 83854304 LOAYHVYWFYMVGL-UHFFFAOYSA-N 393.437 4.686 0 40 GJAB O=C(OCc1csc(-c2ccccn2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1 84613304 RWPAQKFTWGINIV-UHFFFAOYSA-N 396.859 4.606 0 40 GJAB CCSc1ccccc1C(=O)Nc1ccccc1Cc1nc(C2CC2)no1 96119597 MWHKBYMYPSNISK-UHFFFAOYSA-N 379.485 4.902 0 40 GJAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)cc1 100156247 WVEVOLHZPMZEPE-WOVMCDHWSA-N 381.501 4.810 0 40 GJAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)on1 100744020 UZFJNKYHGXIYDV-KDURUIRLSA-N 398.551 4.744 0 40 GJAB Clc1ccc(C2=C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1 100834937 YHSBPJJYYPNROD-MRXNPFEDSA-N 387.668 4.750 0 40 GJAB C[P@@](=O)(Nc1ccc(I)cc1F)Oc1ccccc1 101368360 SQAQHRPLJQONTD-IBGZPJMESA-N 391.120 4.744 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2)C[C@@H](c2ccc(Cl)cc2)C1 102668626 VFNQOAPGBCNWCB-FOIQADDNSA-N 376.847 4.997 0 40 GJAB O=C(CCSc1ccccc1)NCc1ccc([C@H](O)c2ccccc2)s1 207970090 WDLRQVJYXNAFFG-OAQYLSRUSA-N 383.538 4.628 0 40 GJAB CC(C)c1ccc(OCC(=O)NCCCc2ccccc2)c(Br)c1 218874883 UUBREUUWTCSULZ-UHFFFAOYSA-N 390.321 4.700 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)CSCc1cccc(C)c1)CC(C)(C)O2 222745664 FHNHCKXMPPZSPN-LJQANCHMSA-N 385.529 4.655 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 224677414 FSLKVHDJQSAXFV-AOMKIAJQSA-N 393.483 4.892 0 40 GJAB COc1ccc(Cl)cc1C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 225038044 QAZVXPCGHVXEKJ-UHFFFAOYSA-N 399.849 4.997 0 40 GJAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c(C)c1 225478491 BJJXDQHLXSCQHD-KRWDZBQOSA-N 381.545 4.786 0 40 GJAB COc1cc(C)c(C(=O)NCC2(c3ccccc3)CCOCC2)cc1C(C)C 225670965 OCFGCXMQSKZKDA-UHFFFAOYSA-N 381.516 4.605 0 40 GJAB O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cc(-c2cccs2)on1 244975137 IDBYCGQWBMEKGH-UHFFFAOYSA-N 394.481 4.625 0 40 GJAB Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(CC3=CCCOC3)C2)n1 257244236 IKLVLFUMNZSNCU-IBGZPJMESA-N 381.495 4.799 0 40 GJAB O=C(c1nccc2ccccc12)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257255774 KIUPBYYSLCARGN-FQEVSTJZSA-N 397.478 4.833 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 408629015 HYZNVZNYUCMXSV-UHFFFAOYSA-N 388.895 4.846 0 40 GJAB CCOc1cc(C(=O)Nc2ccccc2OC)ccc1OCc1ccccc1 409081164 OYXQTJUDYLOSSQ-UHFFFAOYSA-N 377.440 4.925 0 40 GJAB Cc1ccc(CSCCNC(=O)CSCc2cccc(Cl)c2)cc1 409184786 HSSZDPWYTGJUCN-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB C[C@@H]1CCc2c(C(=O)N3CCC[C@@H](c4cc(C(F)(F)F)n[nH]4)C3)csc2C1 461966178 OEHQTOIYIZHZNC-VXGBXAGGSA-N 397.466 4.635 0 40 GJAB O=C(C[C@H](c1ccsc1)n1cccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 524735586 LRZYCZWFSHHFHS-VQTJNVASSA-N 390.512 4.769 0 40 GJAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)cc1C 1505840555 AFJSSCUPSBXKGV-QFIPXVFZSA-N 378.516 4.550 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)cc1F 1615153150 ANDRJGSUPZPTJP-SFTDATJTSA-N 384.470 4.935 0 40 GJAB Cc1cc(C)cc(-c2nn3c(-c4cnn(-c5ccccc5)c4C)nnc3s2)c1 632863 FCYAFJSSOORVPL-UHFFFAOYSA-N 386.484 4.631 0 40 GJAB CCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1 664050 RBIAJAHXHOYAEX-ZIAGYGMSSA-N 392.956 4.500 0 40 GJAB CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C(=O)OC)C1 673074 DDXJITIZXXEGJW-SVTZGKHISA-N 387.476 4.841 0 40 GJAB Brc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1 784061 IBMIOGCJGUITTC-UHFFFAOYSA-N 387.262 4.668 0 40 GJAB aggregator COc1ccccc1C(=O)N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl 820638 YYJBCUQSUKNZQX-OAHLLOKOSA-N 390.719 4.914 0 40 GJAB CCOC(=O)[C@@H](CC)Oc1ccc2c(=O)c(Oc3ccc(CC)cc3)coc2c1 950707 WOXMTGWBHWTYLH-LJQANCHMSA-N 396.439 4.868 0 40 GJAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C(=S)S2)cc1 1080637 FUGZKVACUPSEQW-KRWDZBQOSA-N 384.526 4.572 0 40 GJAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)c3ccccc3)c(=O)[nH]c12 1346754 KAGZQQJYUBNACN-UHFFFAOYSA-N 388.492 4.741 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)cc1 1399219 GCYNIAQBVRLIOS-UHFFFAOYSA-N 389.474 4.713 0 40 GJAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccc(Cl)cc3)ccc12 2096233 BWHVIQLWQCRKEC-UHFFFAOYSA-N 386.831 4.659 0 40 GJAB biogenic Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccco4)c3)nc2c1 2232226 XBPOUHNYKLLCJA-UHFFFAOYSA-N 377.425 4.523 0 40 GJAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cc2ccccc2oc1=O 2713929 AOCGQUNPOIIUJM-UHFFFAOYSA-N 391.235 4.962 0 40 GJAB O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccc(Br)cc1 3273571 FXDLKCRZVLIVMD-UHFFFAOYSA-N 387.180 4.728 0 40 GJAB CC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 3369221 KJRTWNOOCXEIFD-UHFFFAOYSA-N 378.284 4.922 0 40 GJAB CCOc1ccc(-n2c(SCC(=O)NC3CCCC3)nc3ccccc32)cc1 4400564 NVDGULDXDICBEI-UHFFFAOYSA-N 395.528 4.575 0 40 GJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1Cl 4548652 WQCZCTRILNONIV-UHFFFAOYSA-N 398.246 4.913 0 40 GJAB COc1cccc(C(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn23)c1OC 4791148 IDMWEMSDVAADNZ-UHFFFAOYSA-N 387.439 4.579 0 40 GJAB COc1ccc(C)cc1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 5147355 CPEOBPZBIUBDAE-UHFFFAOYSA-N 395.459 4.700 0 40 GJAB O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)N1CCCC1 5255835 FWLLEQWQNREYRD-UHFFFAOYSA-N 375.544 4.581 0 40 GJAB CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@@H](C)CC)cc1 5736974 FVYFSIYBJASOJN-SCLBCKFNSA-N 389.521 4.513 0 40 GJAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccccc2C)n1C 5859724 ABIBJQWBZAJNBJ-UHFFFAOYSA-N 381.501 4.684 0 40 GJAB COc1ccc(-c2cc(OC(=O)c3ccccc3)cc3sc(=O)oc23)cc1 6809672 NOAAKSNIMXSKAK-UHFFFAOYSA-N 378.405 4.749 0 40 GJAB O=C(CCC1CCCC1)OCc1nnc(-c2ccccc2Br)o1 6946441 BJYOJDMDEHRNMI-UHFFFAOYSA-N 379.254 4.513 0 40 GJAB CCn1c(COc2c(C)cccc2C)nnc1SCCOc1ccccc1 7341818 FVPOPXOPEHUOEC-UHFFFAOYSA-N 383.517 4.665 0 40 GJAB CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1cccs1 7523766 SSONDOSQLDIQDM-UHFFFAOYSA-N 397.496 4.744 0 40 GJAB CCOc1ccc(CN(C)C(=O)NCc2ccc3cc(OC)ccc3c2)cc1 10495173 RTXFTXJRRXPMAM-UHFFFAOYSA-N 378.472 4.589 0 40 GJAB Cc1nn(-c2ccc(NC(=O)CCC3CCCCC3)cc2)c(=O)c2ccccc12 12444856 QNWFUKKAFQGXTO-UHFFFAOYSA-N 389.499 4.993 0 40 GJAB Cc1cc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)ccc1Br 12748779 OQVNODFETROGIT-HNNXBMFYSA-N 390.277 4.568 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1cccc2ccccc12 12759867 FDOCYTWQAADDHM-MZNJEOGPSA-N 384.479 4.981 0 40 GJAB CCC[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1 12804805 RVDDPIWOZLRQOR-WOOPDLCSSA-N 390.527 4.596 0 40 GJAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1Cl 12870303 KSAYLLVUABAYDL-UHFFFAOYSA-N 395.330 4.655 0 40 GJAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(Br)cc1F 13005509 TYJLXYLXDGEXEZ-UHFFFAOYSA-N 381.226 4.865 0 40 GJAB CC1CCN(C(=O)COC(=O)/C(=C/c2ccccc2)c2ccc(Cl)cc2)CC1 13038987 RBGVPCBTJUHKQU-RCCKNPSSSA-N 397.902 4.682 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)c3cccc(C)c3C)cc2c1 13514322 QMZDCTYBKWVWTL-UHFFFAOYSA-N 386.451 4.893 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@H](C)C2 17076844 WQQWVBYKBCAENQ-AYDFFVQHSA-N 375.534 4.813 0 40 GJAB CCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)no1 19503672 XOKFEXSJCJADRV-AWEZNQCLSA-N 396.318 4.501 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)[C@H](C)n2nccc2C)n1 19691266 XGKHXBRUUDOTPY-HTAPYJJXSA-N 392.478 4.626 0 40 GJAB COc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4C)nc32)cc1 21801323 ZMSOEPXPLHQZMT-UHFFFAOYSA-N 383.455 4.669 0 40 GJAB O=C(Cc1ccc(OC(F)F)cc1)Nc1nc(-c2cccc(F)c2)cs1 25322557 BYRAWCRGQSFYET-UHFFFAOYSA-N 378.375 4.732 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)Nn3cnc4ccccc43)cccc2c1=O 27035965 PNVWBUPYXTWDCE-UHFFFAOYSA-N 395.418 4.502 0 40 GJAB COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1Cl 27662734 YQIBLVPGXGFOMB-KRWDZBQOSA-N 392.952 4.757 0 40 GJAB Cc1cc(C)c2nc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)sc2c1 27985721 ANAUVVOKVXNTIB-ZDUSSCGKSA-N 399.903 4.558 0 40 GJAB CCCOc1ccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 27990181 IBVMLYFNMRCKJR-UHFFFAOYSA-N 380.513 4.880 0 40 GJAB Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 32842953 PNWCCFBMIFJEFG-DEOSSOPVSA-N 385.511 4.624 0 40 GJAB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5[C@@H]6C=C[C@@H](C6)[C@@H]5C4=O)cc3)sc2c1 36612952 PTTZGSPKOUXGIM-VZJWBNGJSA-N 386.476 4.583 0 40 GJAB COC(=O)c1cc(OCc2ccccc2)c(OC)c(OCc2ccccc2)c1 38337319 SPVLTRHWKJPFIC-UHFFFAOYSA-N 378.424 4.640 0 40 GJAB COC(=O)c1cc(Nc2cc(Cl)c(OC)cc2OC)c2cccc(C)c2n1 38487142 DOBGLZZULFRBAG-UHFFFAOYSA-N 386.835 4.744 0 40 GJAB O=C(NC1CC1)c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 40152265 WFQPFVGZEUCPHD-LJQANCHMSA-N 383.879 4.601 0 40 GJAB COc1ccc(CN(CCCn2ccnc2)Cc2ccccc2F)c(C)c1C 43277851 QOIQEWWWSSAGGN-UHFFFAOYSA-N 381.495 4.740 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2ccc(Cl)cc2)CC1 44933005 HRIVDPHTRUPZFV-QFIPXVFZSA-N 382.935 4.746 0 40 GJAB COc1ccccc1N(C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 55744861 QOISJGFXDWLEHM-UHFFFAOYSA-N 392.503 4.657 0 40 GJAB COC(=O)c1cccc2c1CCCN2C(=O)c1cc2cc(Cl)ccc2nc1C 58014235 RKAOXUBDNPOTGB-UHFFFAOYSA-N 394.858 4.576 0 40 GJAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)c1 67258366 ONKZMFUVZAWRTO-UHFFFAOYSA-N 387.508 4.749 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359348 AOOZZEJAQBJBGZ-UHFFFAOYSA-N 395.865 4.956 0 40 GJAB Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C(=O)c2ccc(C)s2)s1 95436609 KXHYCSRARBNDDS-HZPDHXFCSA-N 390.574 4.582 0 40 GJAB CC(C)c1nc(-c2cc(C(=O)NCCc3ccncc3)c3ccccn23)cs1 96154837 TZRNUEXXYNCCIK-UHFFFAOYSA-N 390.512 4.554 0 40 GJAB COc1ccc(OCCCC(=O)Nc2ccc(Br)c(C)c2)cc1 96504226 GMMGAFOUXGKPNI-UHFFFAOYSA-N 378.266 4.564 0 40 GJAB CCc1ccc(OCC(=O)N[C@H](C)c2cc(C)ccc2C)c(Br)c1 218863622 NLSQCRNYAKTQCI-OAHLLOKOSA-N 390.321 4.885 0 40 GJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1cccc(CN2CCCC2)c1 224618968 NNWODLRVWSYSDV-LJQANCHMSA-N 388.511 4.519 0 40 GJAB CSc1ccc(S(=O)(=O)N(C)c2ccc(OC3CCCC3)cc2)cc1 224996037 MDLFQHVKUWFCFR-UHFFFAOYSA-N 377.531 4.555 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 225533307 CJGZMQJBBBZDOH-LHXVZLOVSA-N 380.271 4.901 0 40 GJAB S=C(NCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1Cl 225820223 IIWZEJTWRSFXOD-UHFFFAOYSA-N 379.272 4.530 0 40 GJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225846042 ZILFRJYCPQQHNB-JOCHJYFZSA-N 393.524 4.965 0 40 GJAB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCC[C@@H](C)C1 225853457 SFKDLOHUNSVUPV-ZHRRBRCNSA-N 391.508 4.574 0 40 GJAB O=C(O)c1cc(Br)ccc1NC(=S)Nc1cccc(Cl)c1 226346040 QJLALNWDBIDZDG-UHFFFAOYSA-N 385.670 4.610 0 40 GJAB O=C(c1cc(Cl)cc(Cl)c1Cl)[C@H](Br)CBr 379964250 HMHRRYOADCICFC-ZCFIWIBFSA-N 395.305 4.988 0 40 GJAB CCCCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1CC 408560508 JHMIOIODFXPLFM-UHFFFAOYSA-N 387.336 4.678 0 40 GJAB O=C(CSCc1ccccc1Br)NC12CC3CC(CC(C3)C1)C2 408563165 JVCBAOHFJLWWAC-UHFFFAOYSA-N 394.378 4.767 0 40 GJAB Cc1ccccc1-c1cc(NC(=O)c2nc3ccccc3cc2Cl)n(C)n1 555058275 HJSODFUBSAJANF-UHFFFAOYSA-N 376.847 4.849 0 40 GJAB CCOCC1(c2nc([C@H](Oc3ccc(Br)cc3)C(C)C)no2)CC1 576861921 XFQWJWNFMXODLT-OAHLLOKOSA-N 395.297 4.676 0 40 GJAB Cc1ccc(CN2C(=O)CC[C@]23CCCN(Cc2cc(F)ccc2F)CC3)cc1 585100277 JKBWABZJPUYIGK-DEOSSOPVSA-N 398.497 4.821 0 40 GJAB CCn1cc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)cn1 642230788 MFCAOEPUWPQXDI-UHFFFAOYSA-N 399.907 4.577 0 40 GJAB Cc1ccc(-c2cc(C(=O)NCC(C)(C)c3cccc(C(F)(F)F)c3)n[nH]2)o1 1546320119 JMXXYANPQXXHAU-UHFFFAOYSA-N 391.393 4.705 0 40 GJAB CO[C@@H](c1nc(-c2ccc(Oc3ccc(F)c(F)c3)cc2)no1)[C@H]1CCOC1 1548453527 MBLVAZNAXOFIJW-SCLBCKFNSA-N 388.370 4.531 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)cc1C 1652951745 SPWWSEWXAZPSMJ-GFCCVEGCSA-N 376.378 4.995 0 40 GJAB O=C1CCC[C@@H](c2cccc(NCc3ccc(Oc4ccc(F)cc4)nc3)c2)N1 1663291313 BDWGXZPHFMWARW-NRFANRHFSA-N 391.446 4.966 0 40 GJAB Nc1c(C(=O)NCCc2ccc(F)cc2)sc2nc(-c3cccs3)ccc12 1026392 WIBRNDGIUZBDNQ-UHFFFAOYSA-N 397.500 4.719 0 40 GJAB CCC(=O)N(Cc1ccccc1Cl)Cc1cc2cc(CC)ccc2[nH]c1=O 1359357 IUQMMLVUWVRNKM-UHFFFAOYSA-N 382.891 4.683 0 40 GJAB Cc1nc2sc3c(c2c2nnc(SCc4ccccc4F)n12)CCCC3 1372305 DUBLRIVYZGBEMN-UHFFFAOYSA-N 384.505 4.958 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccccc1F)c1ccccc1 3390493 OGQZSDDETZTHDU-NRFANRHFSA-N 393.414 4.761 0 40 GJAB Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(Cl)c(Cl)c1 4678561 WREFJQSFRBUPIX-UHFFFAOYSA-N 376.243 4.735 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1C 4790897 UNDPAOWBFRAMGA-ZDUSSCGKSA-N 396.541 4.621 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nc2cc(OC)ccc2cc1CC 4849383 SYGQVTYHNSDLKL-UHFFFAOYSA-N 396.512 4.935 0 40 GJAB Cc1ccc([C@@H](O)[P@@](=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc1 5029740 ZMDMYYXWJFSAGA-LVXARBLLSA-N 375.449 4.718 0 40 GJAB Clc1ccc(-c2nn3c(-c4cc(-c5ccccc5)n[nH]4)nnc3s2)cc1 5455953 USMFVXIJLZJHNT-UHFFFAOYSA-N 378.848 4.563 0 40 GJAB C[C@H]1c2cc3c(cc2CCN1C(=O)c1ccc(Cl)cc1Cl)OCCCO3 6669686 VYABLCBWXKSCRG-LBPRGKRZSA-N 392.282 4.914 0 40 GJAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 7306988 VBNGMIOVFOWNOF-ZDUSSCGKSA-N 392.933 4.518 0 40 GJAB O=C(CSc1ncnc2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1 7425009 CSFJUKJOTGZIBN-QFIPXVFZSA-N 399.519 4.822 0 40 GJAB O=C(Nc1ccnn1C1CCCC1)c1ccc(NC(=O)c2cccs2)cc1 9865919 SJXKDGDMRXAVGW-UHFFFAOYSA-N 380.473 4.564 0 40 GJAB Cc1cc(/C=C/C(=O)N2CCc3sccc3C2)c(C)n1-c1ccnn1C(C)C 10924230 BPEXVVQGWMBTKZ-AATRIKPKSA-N 394.544 4.531 0 40 GJAB CCOCCCN1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2C1 12442679 QJXBATQZLLPLGB-UHFFFAOYSA-N 399.874 4.692 0 40 GJAB biogenic COc1ccc(-c2nnc([C@H](C)Sc3nccn3Cc3ccccc3)o2)cc1 12506805 QLRIQFQJQHNIKU-HNNXBMFYSA-N 392.484 4.843 0 40 GJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N[C@H](c1ccc(Cl)cc1)C1CC1 12873079 WDHIJOCPIVGPFO-FQEVSTJZSA-N 399.853 4.729 0 40 GJAB CC[C@@H]1CCc2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2C1 12880605 SJIYBYGJOSWZBE-QGZVFWFLSA-N 382.573 4.657 0 40 GJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1ccccc1Cl 12894437 CDBZTAVKSBIGQO-UHFFFAOYSA-N 376.790 4.522 0 40 GJAB c1ccc2c(c1)c(Nc1ccc(C34CC5CC(CC(C5)C3)C4)cc1)nn1nnnc21 16525470 JCTPYCLOZXMROC-UHFFFAOYSA-N 396.498 4.884 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2Cl)ccc1Cl 20458137 UHXFTDMOIZYQCX-LLVKDONJSA-N 382.243 4.576 0 40 GJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Oc1cccc(Cl)c1Cl 21587509 ACVVFNHFIKCZQK-UHFFFAOYSA-N 381.190 4.721 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)CCC(C)C)n2)cc1OC 22463212 HHYNQDZSLRHBTP-UHFFFAOYSA-N 395.459 4.796 0 40 GJAB CCn1c2ccccc2c2cc(N[C@@H](C)C(=O)NCc3cccs3)ccc21 28874629 YYLQCCYEGKLXSZ-HNNXBMFYSA-N 377.513 4.993 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1 32594068 PKFNAABERFJBFP-UHFFFAOYSA-N 391.471 4.756 0 40 GJAB COc1cc(OC)c(C(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1OC 32676080 OHSSXLDLNMWDFM-UHFFFAOYSA-N 391.467 4.868 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289603 VNORPCDMQLBGIF-MRXNPFEDSA-N 378.259 4.628 0 40 GJAB Cc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1N1CCN(C)CC1 40015919 PHVCESCWACPBQZ-UHFFFAOYSA-N 399.947 4.867 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1nc2cc(F)c(F)cc2s1 58157354 VSRXVEHEVBWUDB-UHFFFAOYSA-N 393.465 4.941 0 40 GJAB O=C(c1cnc2ccc(F)cc2c1N1CCc2ccccc2C1)N1CCCCC1 67288125 JDNSKNUTQRKISZ-UHFFFAOYSA-N 389.474 4.563 0 40 GJAB COc1cccc([C@H]2C[C@@H]2C(=O)N(CCc2ccccc2)c2nc(C)cs2)c1 72270310 NUICLNMFNXEAMK-RTWAWAEBSA-N 392.524 4.840 0 40 GJAB CC(C)c1ccc(-c2nc(C(=O)Nc3ccc4oc(=O)[nH]c4c3)cs2)cc1 84625198 WMLKAGKZQAJNJJ-UHFFFAOYSA-N 379.441 4.620 0 40 GJAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1cn2c(C)cccc2n1 84810943 IQZRGVQAFRKPNE-OAHLLOKOSA-N 377.488 4.974 0 40 GJAB COc1cn(-c2ccccc2)nc1C(=O)N(c1ccc(C)cn1)C1CCCCC1 95953586 BGYKOFGNUFPFCD-UHFFFAOYSA-N 390.487 4.564 0 40 GJAB Cc1ccc(CN2CCC[C@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)s1 96071973 HGDNDWOMBFEXLP-QFIPXVFZSA-N 386.536 4.743 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718311 LKLGFHLDKPFWJS-JTQLQIEISA-N 383.662 4.638 0 40 GJAB Cc1noc(C)c1CCC(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 211146477 LATOJLFPQWSCKO-GOSISDBHSA-N 378.925 4.584 0 40 GJAB O=C(O)/C(=C/c1c[nH]c2ccccc12)Sc1n[nH]c(-c2ccc(Cl)cc2)n1 211518640 MLJNXHDJPDUFJQ-SXGWCWSVSA-N 396.859 4.824 0 40 GJAB Cc1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)s1 215218521 JCTGAVQNJXILAS-PJQLUOCWSA-N 393.873 4.675 0 40 GJAB COc1ccc2ccccc2c1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222586919 WCFJTWVQURELEN-WVFSVQOHSA-N 375.497 4.833 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1C1CCCC1 225030257 QZDGPIKWBNRVPC-SFTDATJTSA-N 380.561 4.913 0 40 GJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccccc2C)c1 225379097 YUQMGNSEZDCLCH-OSVNEOKWSA-N 388.467 4.545 0 40 GJAB CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225544784 FALQGDOBSZKKKR-UHFFFAOYSA-N 384.495 4.607 0 40 GJAB COc1ccccc1NC(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 225770751 AQLPBCBKCFIMGQ-UHFFFAOYSA-N 394.475 4.707 0 40 GJAB O=C(NCCC1=CCCCC1)c1snnc1-c1ccc(Br)cc1 225782253 XRBCQCWEUJGMNW-UHFFFAOYSA-N 392.322 4.588 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Br)cc1N 226349756 HKIFLOYINDMLRO-UHFFFAOYSA-N 390.064 4.599 0 40 GJAB CCCCS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 255187998 IFLZECWXYBPJLX-UHFFFAOYSA-N 376.909 4.528 0 40 GJAB CC[C@H](C)NC(=O)C1(Cc2cccc(-c3ccc(OC)cc3)c2)CCOCC1 257197943 OCDVSLHTPSECBX-SFHVURJKSA-N 381.516 4.616 0 40 GJAB Oc1cccc2c1OC1(CCN(Cc3ccc(Cl)cc3)CC1)[C@H]1CCCO[C@H]21 257298802 RNIUKXCSORBMPT-PZJWPPBQSA-N 399.918 4.941 0 40 GJAB Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c(C)c1 408620704 JCVFVEKULYYDDK-UHFFFAOYSA-N 392.421 4.940 0 40 GJAB Cc1cccc(OCC(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c1 408629345 XXTUEFKHMDJECD-UHFFFAOYSA-N 385.419 4.786 0 40 GJAB CCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)N(C)C1=S 409034940 RMDKMHZNGKILMS-LCYFTJDESA-N 381.284 4.673 0 40 GJAB COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)NCc2cccnc2)c1 541450443 PDZFQKNOLOVVLM-XZOQPEGZSA-N 387.483 4.531 0 40 GJAB CO[C@@H]1CCOc2c(NC(=O)c3ccc(Nc4nc(C)cs4)cc3)cccc21 570370429 RXCLHNATBFLDJZ-GOSISDBHSA-N 395.484 4.917 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585148222 SCRDTLCONHUKRM-LJQANCHMSA-N 399.874 4.607 0 40 GJAB CC1(C)CCc2ccccc2[C@@H](NC(=O)N[C@@H]2COc3cc(F)ccc3C2)C1 1565098797 JEKHGLCATNWGAS-ICSRJNTNSA-N 382.479 4.532 0 40 GJAB Cn1ccc(-c2nc(CNc3nc4cc(Cl)cc(Cl)c4o3)cs2)n1 1640403394 LDFAPRDLGCTBIY-UHFFFAOYSA-N 380.260 4.604 0 40 GJAB FC(F)(F)c1ccccc1OCCN1CCn2cccc2[C@@H]1c1ccccc1 1652738114 AECFLYHPDFOVAE-NRFANRHFSA-N 386.417 4.991 0 40 GJAB CCOc1cc(Cl)c([C@@H](C)NC(=O)c2ccc(OC)cc2)cc1OCC 668053 QKWMMCBTWTXGMI-CYBMUJFWSA-N 377.868 4.637 0 40 GJAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1ccc(N(C)C)cc1 932970 BGGMAOQCUNUXAS-UHFFFAOYSA-N 379.529 4.957 0 40 GJAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc(C(=O)O)c1 944213 UVPOKJQLRKOXRR-UHFFFAOYSA-N 384.819 4.815 0 40 GJAB O=C(Oc1c(-c2ccccc2)c(=O)n2c3c(cccc13)CC2)c1ccc(F)cc1 1035702 CNPOLMKWCIVPJN-UHFFFAOYSA-N 385.394 4.583 0 40 GJAB CCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccco1 1364391 HOVKNRXJCKBTEX-UHFFFAOYSA-N 390.896 4.641 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(OC)c1 1511872 PBEDBRHBWJQOQT-UHFFFAOYSA-N 395.842 4.841 0 40 GJAB C[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1ccc(Cl)cc1 1924316 AKJLDBYCELYVGQ-GFCCVEGCSA-N 382.876 4.655 0 40 GJAB O=C(Nc1ccccc1)OC[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 2042534 MVEQXLRCFNSAMP-OAQYLSRUSA-N 375.424 4.552 0 40 GJAB CCc1ccc(-c2csc(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)n2)cc1 2207378 UEPWGZQYIHEBQW-IBGZPJMESA-N 396.468 4.671 0 40 GJAB C[C@@H](O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 2974753 VLZQDMGFHMTCOW-CQSZACIVSA-N 378.863 4.534 0 40 GJAB C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2ccccc21 3310739 WWJMMWMSZGIPDH-IBGZPJMESA-N 399.490 4.807 0 40 GJAB O=C(O)c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 4181782 UMXFDHSVLMOSNM-UHFFFAOYSA-N 377.425 4.518 0 40 GJAB CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3cc(C(F)(F)F)ccc3c21 4970005 DDLPEFYOGUAKKO-UHFFFAOYSA-N 399.372 4.833 0 40 GJAB Cc1ccc(C)c(SCC(=O)N[C@@H](C)[C@H](c2cccs2)N2CCCC2)c1 4979960 CHZRUARDNGCBKD-LAUBAEHRSA-N 388.602 4.799 0 40 GJAB O=C(N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21)C12CC3CC(CC(C3)C1)C2 5949055 HFLDOGSQQOTPAO-GSQIKQSISA-N 389.495 4.880 0 40 GJAB O=C(COc1ccc(F)cc1Br)Nc1cc(Cl)ccc1Cl 6152094 ZDIMUZOGNDKFJX-UHFFFAOYSA-N 393.039 4.913 0 40 GJAB CC(C)c1ccc([C@]2(C(=O)NC3CCCCC3)CC(=O)N2c2ccccc2)cc1 6661915 KWWAEHSVSPLQSZ-VWLOTQADSA-N 390.527 4.891 0 40 GJAB CCSc1nc(NCc2cccnc2)c2sc3c(c2n1)COC(C)(C)C3 6719428 KNQDONFZFNPUMD-UHFFFAOYSA-N 386.546 4.662 0 40 GJAB Cc1ccc(C)c(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 7928811 POKGDXZOJORDST-CYBMUJFWSA-N 378.255 4.569 0 40 GJAB Cc1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 7966391 XOUSJAZLKRDBDU-MRXNPFEDSA-N 394.540 4.800 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 8073468 SRSYFFIGALPJES-UHFFFAOYSA-N 394.515 4.628 0 40 GJAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1cc2ccccc2o1 8312257 QEOPQIWFMYQARK-UHFFFAOYSA-N 375.453 4.866 0 40 GJAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(C(F)(F)F)cc1 8485277 UBVMEKUBEBPYLN-UHFFFAOYSA-N 386.373 4.569 0 40 GJAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccnc2)c1C 9158949 RSAWBPUNKKXBCD-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB C[C@H](c1cccs1)N(C)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 9390296 IAEYDAUTUOTFFN-LLVKDONJSA-N 392.937 4.698 0 40 GJAB CC[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1 10423567 ITXHZFVUUWWCRZ-QGZVFWFLSA-N 387.842 4.729 0 40 GJAB C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCc2sccc2C1 10764036 WTRSMOKEMRXUFG-KRWDZBQOSA-N 392.524 4.712 0 40 GJAB COc1cc(/C=C/C(=O)N2CCc3sccc3C2)cc(Cl)c1OC(C)C 10923174 MHNZPNSLHKFDLB-SNAWJCMRSA-N 391.920 4.795 0 40 GJAB Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc(-c3ccccc3)cs2)n1 12441757 FINMQZAIZBDNQU-UHFFFAOYSA-N 392.459 4.625 0 40 GJAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccc(N(C)C)cc3)cc2)cs1 12562171 XWDAOCUFYQLWLC-CQSZACIVSA-N 380.517 4.624 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(F)cc3F)c12 12935159 CZILGKCSACSSAS-UHFFFAOYSA-N 383.329 4.868 0 40 GJAB COc1ccc(CNC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc1OC 12943213 VJBSDHPKGVSSES-GFCCVEGCSA-N 397.302 4.913 0 40 GJAB O=C(c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1)N1CCCC1 13330400 PYIPAGMKQCECBU-UHFFFAOYSA-N 393.434 4.750 0 40 GJAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 14291499 VSDPXKCACQQAQU-UHFFFAOYSA-N 395.105 4.698 0 40 GJAB CCn1cc(CN2CCC[C@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)c(C)n1 19691983 KWUXIIVTDNNZMT-DEOSSOPVSA-N 392.522 4.982 0 40 GJAB Cc1ccccc1-c1noc(CN2CCN(Cc3cccc4ccccc34)CC2)n1 22810841 CPTFASGVJCIGLH-UHFFFAOYSA-N 398.510 4.516 0 40 GJAB COc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1OC1CCCC1 24509509 BZNPIFQAEDKYNZ-UHFFFAOYSA-N 390.483 4.989 0 40 GJAB O=C(CCc1cccnc1)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 24640259 GMGDQXMFDCRTAT-UHFFFAOYSA-N 379.847 4.559 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC(CCN3CCCCC3)CC2)c1 27994721 GXSDDSAUXYUGIJ-UHFFFAOYSA-N 386.580 4.612 0 40 GJAB O=C1CN(C(=O)C2CCCCC2)[C@H](c2ccccc2)c2ccc(Cl)cc2N1 28048043 LQWWBQGWQJGHOD-OAQYLSRUSA-N 382.891 4.790 0 40 GJAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(-c2ccccc2)cc1 28188589 HCDQOJYSVVTQOL-UHFFFAOYSA-N 375.453 4.737 0 40 GJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1ccc(C)cc1C 33317628 IKSYBHKMKCORNK-NRFANRHFSA-N 391.515 4.806 0 40 GJAB COc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 35289479 JPAWITYARRVPMB-SEJPIABJSA-N 395.572 4.567 0 40 GJAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3cc2C)cc1 35292442 FZZOOAJGLAYRBW-UHFFFAOYSA-N 379.485 4.623 0 40 GJAB O=C(Nc1ccc(SC(F)F)cc1)NC1CCN(Cc2ccccc2)CC1 43119343 SCNGXFFUGPMHKP-UHFFFAOYSA-N 391.487 4.787 0 40 GJAB O=C(Nc1cccc(-c2ccnc3ccnn23)c1)c1cccc(C(F)(F)F)c1 43122830 BMVFRDWYIBSEOB-UHFFFAOYSA-N 382.345 4.667 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cc(C)ccc1C 44947144 KKYATWFVLDVMQQ-PXNSSMCTSA-N 382.504 4.628 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1Cl 64334328 QCTVWDVZHNYKFE-JTQLQIEISA-N 378.910 4.831 0 40 GJAB Cc1nc(C)c([C@@H](C)NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)s1 70039089 KZMRMOQSPYSIHB-GFCCVEGCSA-N 376.551 4.627 0 40 GJAB O=C(Nc1cc(C(=O)O)ccc1F)OCC1c2ccccc2-c2ccccc21 70915514 SHTPNLJACINZNG-UHFFFAOYSA-N 377.371 4.885 0 40 GJAB O=C(NCC1CCN(c2ccncc2)CC1)C1(c2ccc(Cl)cc2)CCCC1 70928760 MXQSZFVIZULPLU-UHFFFAOYSA-N 397.950 4.580 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72214313 XQHYUQIFBBVMGN-SFHVURJKSA-N 397.475 4.902 0 40 GJAB COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)C1 72301625 QWBLPIMTMFGXBJ-DAYGRLMNSA-N 391.920 4.587 0 40 GJAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(Oc2cccnc2)cc1 84321800 WYEHAHLFYHZCDK-JOCHJYFZSA-N 375.472 4.970 0 40 GJAB CO[C@@H](C(=O)Nc1ccc(N2CCCCC2)c2ccncc12)c1ccccc1 89407069 KHGSHOVXWGUVSB-JOCHJYFZSA-N 375.472 4.551 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1OC(F)(F)F 95985517 UUEJHFLICOKGJB-UHFFFAOYSA-N 375.350 4.640 0 40 GJAB CNC[C@H]1CC[C@H](c2cc(CN(C)CC[C@@H](C)c3ccccc3)n(C)n2)CC1 100687704 NZDNDERJOJHPRF-SJBKTWHCSA-N 382.596 4.539 0 40 GJAB Cc1cc(OCC(=O)NCCCc2cccc(OC(C)C)c2)ccc1Cl 218939652 CBFHROHCVAXXKJ-UHFFFAOYSA-N 375.896 4.563 0 40 GJAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)cc1C(C)C 223740261 DXYQSGCYVFQFRP-UHFFFAOYSA-N 375.534 4.595 0 40 GJAB COc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2C)c(Cl)c1Cl 224622902 LTAFCHZUWNZPJC-UHFFFAOYSA-N 394.707 4.789 0 40 GJAB COc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 224651050 BQIUIEYDYNYWFG-UHFFFAOYSA-N 383.897 4.590 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1C1CCCC1 225011805 SVGFASSHLCRONJ-SFTDATJTSA-N 380.561 4.913 0 40 GJAB S=C(NCCCN1CCCC1)Nc1ccc(CSc2ccccc2)cc1 225433350 BFDPSUOEFJBMLZ-UHFFFAOYSA-N 385.602 4.751 0 40 GJAB CCOC(=O)C1=C(C)N[C@@H]2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1cccc2ccccc12 250704226 VJGOHOLAAFENKA-WTIAFYNJSA-N 391.511 4.738 0 40 GJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cccc(C)c3C)sc2n1 408619565 JDJTYTXDVKFJPT-UHFFFAOYSA-N 398.557 4.883 0 40 GJAB O=C(NC(=S)Nc1ccc(F)cc1F)c1cccc2c(Cl)cccc12 408620890 KMBVTAJDAQCKTA-UHFFFAOYSA-N 376.815 4.898 0 40 GJAB CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2Cl)cn1 605171251 KNVBKBKYWLNIKL-ZDUSSCGKSA-N 395.334 4.795 0 40 GJAB O=C(N[C@H]1CCCc2nc(O)ccc21)C1(c2ccc(Cl)c(Cl)c2)CCC1 674077882 BUEXVHJXZLBOHE-KRWDZBQOSA-N 391.298 4.710 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)Cc2ccccc2F)CN1c1ccc(F)cc1 1615122390 RFHRXCVNYCFUCP-HSZRJFAPSA-N 384.470 4.557 0 40 GJAB CC1=C(C(=O)OCCC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C 727710 ANYSNVIXMHPKQV-INIZCTEOSA-N 385.291 4.553 0 40 GJAB COc1ccc2cc([C@H](C)c3nnc4c(N(C)C)nc5ccccc5n34)ccc2c1 1081966 KLZNJYHMKYXYRW-HNNXBMFYSA-N 397.482 4.657 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 1333009 GHQIJADLPQPLPL-UHFFFAOYSA-N 385.514 4.550 0 40 GJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCC2 1940024 JDPZMPXBXKWRCC-DHZHZOJOSA-N 375.877 4.719 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccccc3)cc2)c1 2617362 AKMLBCYNZCWGTP-QGZVFWFLSA-N 387.435 4.740 0 40 GJAB CCOc1ccc(NC(=S)N2CCS[C@H]2c2c(F)cc(F)cc2F)cc1 2727701 FSJYBWNDZYAYJQ-KRWDZBQOSA-N 398.475 4.947 0 40 GJAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccco3)cc2c1 4230985 VDCBDUJGPHLEIJ-UHFFFAOYSA-N 386.451 4.526 0 40 GJAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)sc(C)c1C 4576682 PRDAMDZKOZLHOT-NSHDSACASA-N 381.881 4.519 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccc3c(c2)OCO3)no1 4744876 KGIZSRAQRJPZGD-UHFFFAOYSA-N 381.775 4.749 0 40 GJAB CN(C)CC(C)(C)CNc1c2c(nc3cc(-c4cccc(Cl)c4)nn13)CCC2 4980272 JUCNREBNERCCNY-UHFFFAOYSA-N 397.954 4.538 0 40 GJAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2noc(-c3ccccc3)c2c1 5108574 GHTKDAXISUXCKF-UHFFFAOYSA-N 397.390 4.902 0 40 GJAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)cc1OC 5158151 FKRPXPXSMAVQSM-OYDLWJJNSA-N 399.506 4.711 0 40 GJAB Cc1cc(NC(=O)C2CCCCC2)ccc1N1C(=O)c2cccc(Cl)c2C1=O 5793076 FRERPOLZQLDYCS-UHFFFAOYSA-N 396.874 4.968 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5936439 FNVYQWFXWWMABG-RMKNXTFCSA-N 394.824 4.721 0 40 GJAB [O-][n+]1c2c(n(O)c1-c1ccc(Br)s1)-c1cccc3cccc-2c13 6884213 PINPJJZBOIPVSW-UHFFFAOYSA-N 385.242 4.650 0 40 GJAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1cccc(Br)c1 7405329 KGRSNCUNFPSHMN-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB CCc1ccc(N2C(=O)/C(=C\c3ccc(SC)cc3)C(C(=O)OC)=C2C)cc1 8085622 OMWONWKCFLSNRZ-ZHZULCJRSA-N 393.508 4.848 0 40 GJAB CC(=O)c1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 8325600 HXDALNWXYQNSDN-NRFANRHFSA-N 397.521 4.565 0 40 GJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc2c(s1)CCC2 9884850 OIOMYXRKFKQTSM-UHFFFAOYSA-N 395.553 4.504 0 40 GJAB O=C(NCc1cccc(Cl)c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 11331017 ZMWKRPAUTSOMJO-UHFFFAOYSA-N 389.842 4.987 0 40 GJAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@@H](c1ccccc1Cl)O2)CCC3 11866500 XBYDDYKRDJSFFR-KRWDZBQOSA-N 380.827 4.950 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12682763 NDZUGOXLYJEPGN-OXJNMPFZSA-N 390.483 4.656 0 40 GJAB CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1cccc(Cl)c1 13010055 CZDQUTCVNBIKHR-NSHDSACASA-N 377.901 4.978 0 40 GJAB CCOc1ccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)cc1OCC 13754910 YQRDCWJXMPZQSF-UHFFFAOYSA-N 398.450 4.989 0 40 GJAB CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@@H](NC(=O)c2ccco2)C1 13992447 HWKDRISXAMIFQW-KRWDZBQOSA-N 383.879 4.621 0 40 GJAB CC(C)COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 15834037 WMPLUALCUVFUQL-GOSISDBHSA-N 377.488 4.618 0 40 GJAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 16086568 DQCFNPQSHVXEKE-MRXNPFEDSA-N 379.481 4.596 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 16261751 ZYWUSWXAUNBUAY-MRXNPFEDSA-N 394.689 4.900 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCCC[C@H]1CC 20459309 CNLOJAYYGFFSRU-IFMALSPDSA-N 382.548 4.768 0 40 GJAB COc1ccc(CSc2cc(C(=O)NC3CC3)c3ccccc3n2)cc1F 21762375 BCZSSMLGFCFURW-UHFFFAOYSA-N 382.460 4.567 0 40 GJAB CCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(=O)c2cc(Cl)ccc21 22234889 QAWCJQCXJUMJJZ-UHFFFAOYSA-N 379.218 4.720 0 40 GJAB CCCc1nc2ccc(NS(=O)(=O)c3ccc(OCC)c(C)c3)cc2s1 22255157 BATMRHYMRFCUCL-UHFFFAOYSA-N 390.530 4.757 0 40 GJAB Cc1cccc2sc(NC(=O)c3ccn(COc4ccccc4Cl)n3)nc12 28237237 GPUWRQSPBUUPHC-UHFFFAOYSA-N 398.875 4.743 0 40 GJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(F)ccc1F 32610717 WXJUCPXBYWTJDE-UHFFFAOYSA-N 382.197 4.769 0 40 GJAB Cc1nc2ccccc2n1Cc1ccc(C(=O)NCc2ccc(Cl)cc2)o1 35597056 VNXSMLJEQZSLEA-UHFFFAOYSA-N 379.847 4.569 0 40 GJAB Cc1cc(NC(=O)c2ccc(Cn3ccnc3C)cc2)ccc1Br 38850310 CSPQARWZHGLBFM-UHFFFAOYSA-N 384.277 4.563 0 40 GJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)c1 40152744 SCGMCSCXFBUMGR-IBGZPJMESA-N 388.552 4.801 0 40 GJAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)CC(C)C 45890782 CLGZETUHCKJZBW-UHFFFAOYSA-N 392.135 4.649 0 40 GJAB CC(C)(C)[C@@H](NC(=O)NCc1ccc(N2CCCCC2)nc1)c1cccs1 58202275 DMZDKCHOBJHOOQ-IBGZPJMESA-N 386.565 4.720 0 40 GJAB CN(C)Cc1ccc(C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 58223296 WKSGCIZCBKIMQA-WOEOTAOXSA-N 396.534 4.775 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 59746067 IVLXMXYEEYVLET-SJLPKXTDSA-N 382.479 4.830 0 40 GJAB CCc1ccsc1C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 59984541 DWXKZXMMYYKUNI-INIZCTEOSA-N 380.916 4.670 0 40 GJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NC[C@H]1CC=CCC1 69240118 STKZSCPWSGKGPY-OALUTQOASA-N 391.515 4.998 0 40 GJAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1OC1CCCC1 71805079 DITVNVGWWMTAAW-UHFFFAOYSA-N 387.863 4.614 0 40 GJAB O=C(c1cc(-c2ccccc2)on1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 84560079 VMSDFVZZELOCHJ-UNMCSNQZSA-N 390.483 4.850 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C 95945973 MRSSCPCWXXTGNX-VFNWGFHPSA-N 382.479 4.636 0 40 GJAB Cc1ccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccc(C)cc2)C3)cc1 100426258 ODYRGRLUHYUWFZ-FGZHOGPDSA-N 391.515 4.651 0 40 GJAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 103718907 PCJDEJLEEZRVKQ-LLVKDONJSA-N 397.689 4.947 0 40 GJAB O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@H](c1ccc(Cl)cc1)C1CCC1 105013415 WSZAHMDAMRDYIQ-IBGZPJMESA-N 399.878 4.960 0 40 GJAB CCc1cc(S(=O)(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)ccc1OC 223131085 QGGBVYHCXDMFMQ-OAQYLSRUSA-N 387.545 4.566 0 40 GJAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1C(=O)c1ccccc1 224451043 ZIPDJAIFZQRNPK-UHFFFAOYSA-N 385.463 4.814 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(CN2CCCCC2)c1 224683461 PBCXRZODIICOHD-QHCPKHFHSA-N 394.559 4.763 0 40 GJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 225004422 IZACAODNQCHAFO-UXHICEINSA-N 394.559 4.514 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1 225124291 IYWKMXQJRLPRRE-KRWDZBQOSA-N 382.504 4.663 0 40 GJAB CC(C)(C)C1CCC2(CC1)NC(=S)N(c1ccc(Br)cc1)N2 225348432 LOYFIEUGIUEAGR-UHFFFAOYSA-N 382.371 4.581 0 40 GJAB CCc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1 225783225 DFNZILREEPFBKM-UHFFFAOYSA-N 388.290 4.782 0 40 GJAB CNC[C@H]1CC[C@H](c2cc(CN(C)Cc3oc4ccccc4c3C)n(C)n2)CC1 257304418 SLOBJSCCJCYGIH-WGSAOQKQSA-N 394.563 4.600 0 40 GJAB CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2Cc1ccc2ncccc2c1 257331769 XUEZCQXMPBAUSV-KKUQBAQOSA-N 399.538 4.951 0 40 GJAB CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)c(OCC)c1 408776879 RZAVWGVONIKEMA-VLOXRPPESA-N 398.528 4.646 0 40 GJAB Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3cc(C)n(C4CC4)c3C)C2=O)cc1 409128530 PGDSIKQXASBPOJ-JAIQZWGSSA-N 394.496 4.667 0 40 GJAB O=C(c1ccc(Oc2ccccc2)cn1)N1CCC[C@H]1c1ccc2c(c1)OCO2 514800122 DMFPWLHEARGPQH-FQEVSTJZSA-N 388.423 4.580 0 40 GJAB CN1CC[C@@H](CNC(=O)Nc2cc(F)cc(F)c2)[C@H]1c1ccc(Cl)c(F)c1 534229778 NOEKWZWYCYKDSN-KPZWWZAWSA-N 397.828 4.572 0 40 GJAB COc1ccc(Sc2ccc(NC(=O)CCc3cncc(F)c3)cc2)cc1 537159745 JJURYZPGSJLLPH-UHFFFAOYSA-N 382.460 4.952 0 40 GJAB CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N1CCC(N2CCCCC2=O)CC1 585081815 HMPMHYILFRDCMA-RKRRMPDFSA-N 388.596 4.623 0 40 GJAB C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1ccc(CN2CCCC2)cc1 615815271 GPEPWTQQWPFHRM-OAHLLOKOSA-N 396.922 4.645 0 40 GJAB O=C(c1ccnn1CCc1ccccc1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 623016602 CMNRGFILNSEGET-NRFANRHFSA-N 398.510 4.627 0 40 GJAB O=C(Nc1cncc2ccccc12)[C@H]1CCOc2ccc(Br)cc21 1127292977 NKEZIGFFPYIIIL-HNNXBMFYSA-N 383.245 4.502 0 40 GJAB CN1CCC[C@H](c2cccc(C(=O)Nc3cc(Cl)c(O)c(Cl)c3)c2)C1 1183101790 IQTPSBBBQHNCIL-AWEZNQCLSA-N 379.287 4.761 0 40 GJAB O=C(CNc1ccccc1Cl)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 1567322316 AAUURVDQBIRGSH-CQSZACIVSA-N 382.813 4.787 0 40 GJAB CCCc1nn(C)c(C(=O)Nc2ccc(C(=O)c3ccc(C)cc3)cc2)c1Cl 633104 MQXPNGDUUYATTF-UHFFFAOYSA-N 395.890 4.818 0 40 GJAB Cc1cccn2cc(-c3cccc(NC(=O)c4cc5ccccc5oc4=O)c3)nc12 798151 UPDQGVUGLMDTKP-UHFFFAOYSA-N 395.418 4.668 0 40 GJAB COc1cc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)cc(OC)c1 1342926 AKAVLOOBLUVNGH-UHFFFAOYSA-N 397.500 4.501 0 40 GJAB CCc1nc2sc3c(c2c2nnc(SC(=O)c4ccccc4)n12)CCCC3 1427407 XNIANJXAYRXPLI-UHFFFAOYSA-N 394.525 4.713 0 40 GJAB CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 1445635 MCTDXPDDZLFJHR-RPLOAYLJSA-N 382.500 4.941 0 40 GJAB endogenous,in-man Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3cccc4ccccc34)ccc12 2151654 PSSMFDATKZSCAH-UHFFFAOYSA-N 388.419 4.851 0 40 GJAB biogenic CCOc1cc(C)c(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1C(C)C 3652596 LMZODZJLBRLMEM-NDENLUEZSA-N 396.462 4.749 0 40 GJAB CSc1cc2c(c3c1CCOc1ccccc1-3)c(=O)n(-c1ccccc1)n2C 3843036 YTQFUYRVFTXNFH-UHFFFAOYSA-N 388.492 4.653 0 40 GJAB biogenic C[C@@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 3850244 XWJTYEGVQBFZHI-OELQFLTGSA-N 390.564 4.542 0 40 GJAB O=C1c2ccccc2[C@H]2c3[nH]c4ccccc4c3[C@@H](c3ccc4c(c3)OCO4)CN12 4084885 NPLQAJWRJOQYGL-KOSHJBKYSA-N 394.430 4.587 0 40 GJAB biogenic Cc1cc(C)cc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)c1 4392172 JUVPESHYERJEFM-UHFFFAOYSA-N 384.530 4.565 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccccc2Cl)c1 4585434 UXQIFIQGHCALIR-UHFFFAOYSA-N 389.842 4.600 0 40 GJAB CCCCOc1ccc(OCCn2c(C)c(C(=O)OC)c3cc(O)ccc32)cc1 4614943 UYEWQRZYDBDMDF-UHFFFAOYSA-N 397.471 4.700 0 40 GJAB COc1ccc(C)cc1NC(=O)COC(=O)c1sc2ccccc2c1Cl 4870904 JJSWIRXZNCVQMP-UHFFFAOYSA-N 389.860 4.667 0 40 GJAB CN(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 5128823 HSCCCROQJPOYSK-UHFFFAOYSA-N 378.859 4.889 0 40 GJAB O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 5136259 FQQDJDVYPIYXJS-UHFFFAOYSA-N 394.471 4.661 0 40 GJAB O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccc2ccccc2c1 5215497 MEIOOIBXVIIIIX-FQEVSTJZSA-N 386.234 4.559 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)n[nH]2)c(O)c1C 5343230 YXIYQLVTNXGUIQ-UHFFFAOYSA-N 375.350 4.670 0 40 GJAB Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c(C)c1 5489100 HLUCGFYGSNCQGD-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB Cc1cc2oc(=O)cc(CSc3nnc(-c4ccco4)n3C)c2cc1C(C)C 5863479 HQYXNMPRZNSXCJ-UHFFFAOYSA-N 395.484 4.906 0 40 GJAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 5868219 PWUDJPHDSKEGDQ-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB CCCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 5965638 MGMDGDIJTYZASL-FZKQIMNGSA-N 389.521 4.751 0 40 GJAB COc1ccc([C@H](CNC[C@@H](O)c2ccccc2)c2c[nH]c3ccccc23)cc1 6786515 SSWOZXOGJWKESZ-WIOPSUGQSA-N 386.495 4.632 0 40 GJAB Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1C 7179600 RTNOMVDTQPQQJK-AWEZNQCLSA-N 387.455 4.887 0 40 GJAB CCCc1nnc(S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)O)[nH]1 7342215 PHYGYJSYAXTNMW-AQTBWJFISA-N 395.484 4.554 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1C 7733941 VFJKLUXJGSKUHA-LLVKDONJSA-N 398.684 4.900 0 40 GJAB CN(Cc1ccc(Br)cc1)Cc1nnc(-c2ccc(Cl)cc2)o1 7915174 VMXZMVOGYULDCH-UHFFFAOYSA-N 392.684 4.785 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N(CC)CC 8041790 LMGMCXMVKMONIS-LJQANCHMSA-N 388.895 4.618 0 40 GJAB CN(Cc1cccs1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 8193022 HBFCRTFUUNCRGK-UHFFFAOYSA-N 393.537 4.994 0 40 GJAB CCOc1cc(/C=C/C(=O)Nc2ccc(Br)cc2C)ccc1OC 8285855 GLKLZJDXWRQRER-UXBLZVDNSA-N 390.277 4.817 0 40 GJAB O=C(NC1CCCCC1)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9071454 QSIKJSYYFXTNNI-UHFFFAOYSA-N 389.499 4.573 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2ncc(-c3ccc(F)cc3)o2)c(OC)c1 11439889 TYKWCOVVFUQGMO-IBGZPJMESA-N 382.435 4.835 0 40 GJAB Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)sc1C 12254261 JTQMFCRHEAOEPJ-SFHVURJKSA-N 392.528 4.660 0 40 GJAB O=C(Cc1cn2ccsc2n1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 12629180 LJZJSXLPFQFKKJ-UHFFFAOYSA-N 394.525 4.579 0 40 GJAB Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)n1 12870945 FEYWQYJKOFUTBU-UHFFFAOYSA-N 378.272 4.602 0 40 GJAB CC(=O)c1cccc(OCCN2CCC(c3nc4ccccc4s3)CC2)c1 13688713 QHONPUHYCLLHIU-UHFFFAOYSA-N 380.513 4.757 0 40 GJAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 13709012 PGVUBRFCUZJKIA-GOSISDBHSA-N 379.525 4.965 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 14022511 XTXDQSOQSMYAPW-INIZCTEOSA-N 387.501 4.518 0 40 GJAB Oc1cccc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1 19330834 ZABXKYDTQGQLNQ-FQEVSTJZSA-N 392.455 4.893 0 40 GJAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1c(Cl)cccc1Cl 19352417 REAGIYKNYQFTHI-UHFFFAOYSA-N 398.311 4.515 0 40 GJAB COc1cc([C@@H]2CN(CCc3ccccc3)[C@@H]3CCC[C@H]23)cc(OC)c1OC 19549588 RAUKNZWEAAPBHW-QHAWAJNXSA-N 381.516 4.523 0 40 GJAB CCCN1CCC[C@@](O)(c2nc(C)c(COc3ccc(Cl)cc3)s2)CC1 19705252 SXEPNZBHIDDDBP-FQEVSTJZSA-N 394.968 4.767 0 40 GJAB O[C@@](CNCc1cccc(C(F)(F)F)c1)(c1ccccc1)c1ccc(F)cc1 20365984 MEGBTFHXSPPOJK-NRFANRHFSA-N 389.392 4.870 0 40 GJAB CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)Sc1nc2ccccc2n1C 21664643 KYHADLRPJIRQBV-ZDUSSCGKSA-N 393.468 4.641 0 40 GJAB CCOc1cccc(CN[C@@H](C)[C@H](O)c2ccccc2)c1OCc1ccccc1 22076887 FIDVHXZAKYEHDZ-CYFREDJKSA-N 391.511 4.876 0 40 GJAB CCN(Cc1ccccc1)C(=O)CSc1nc(C2CC2)nc2ccccc12 22133553 CFTDTZZBELGMRJ-UHFFFAOYSA-N 377.513 4.648 0 40 GJAB O=C(c1csc(Nc2ccc(OC(F)F)cc2)n1)N1CCc2ccccc21 23136890 VJMHVLSPXHGNCM-UHFFFAOYSA-N 387.411 4.691 0 40 GJAB Cc1ccc([C@@](O)(CCNC(=O)Nc2ccc(C)c(Cl)c2)C(F)(F)F)o1 24839100 PDQZAOWOPRSKOW-INIZCTEOSA-N 390.789 4.512 0 40 GJAB Cc1nc(-c2cc(C)n(CC(=O)N[C@@H]3CCSc4ccccc43)c2C)cs1 25248616 MEVVADBNSOVJMH-GOSISDBHSA-N 397.569 4.890 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(COc3ccccc3C)o2)c1 28236903 JTXXOGPNIGISLB-MRXNPFEDSA-N 395.455 4.675 0 40 GJAB CC1CCN([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)c2cccs2)CC1 28292082 KSAZRYSJLKUEQG-FQEVSTJZSA-N 386.561 4.738 0 40 GJAB Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)s1 30585809 UGXMJLWKYLQRDK-UHFFFAOYSA-N 381.856 4.800 0 40 GJAB COc1ccc([C@@]2(CCN(Cc3ccco3)C(C)=O)CCOC(C)(C)C2)cc1 32124172 ZCAXDZYYPZXIJY-QHCPKHFHSA-N 385.504 4.554 0 40 GJAB biogenic CCCCOC(=O)c1ccc(NC(=O)/C=C/c2nc3ccccc3s2)cc1 32999484 PNVPJSRJUUSWHA-OUKQBFOZSA-N 380.469 4.905 0 40 GJAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(OC(C)C)cc4)no3)CC2=O)cc1C 44435132 CHFYJKIETMKZQJ-GOSISDBHSA-N 391.471 4.661 0 40 GJAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cn3ccnc3C)cc1)CC(C)(C)O2 44855284 JOBUPJDUXIJTPT-NRFANRHFSA-N 389.499 4.580 0 40 GJAB CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)c(C)c1 44856496 KBHAMXYOIWBQCC-JTHBVZDNSA-N 382.523 4.922 0 40 GJAB Cc1nn(CC(C)C)c2sc(C(=O)NCc3nc4ccccc4s3)cc12 48374033 FQFARMOOSFOKJI-UHFFFAOYSA-N 384.530 4.602 0 40 GJAB COc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1Oc1ccccc1 58165248 WJYTWBIDZCMXIR-QGZVFWFLSA-N 376.456 4.777 0 40 GJAB CC(C)Oc1ccc(Cl)c(-c2nc(=O)c3c4c(sc3[nH]2)SCCC4)n1 65278972 GKMMBVJLIWJMEH-UHFFFAOYSA-N 393.921 4.526 0 40 GJAB COc1ccc(-c2nc(C)cc(SCC(=O)N(C)c3cccc(C)c3)n2)cc1 67257699 IDMCEYXMCDMTTH-UHFFFAOYSA-N 393.512 4.524 0 40 GJAB Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 71326502 HOPZBNMZRYSQDC-AWEZNQCLSA-N 383.492 4.736 0 40 GJAB Cc1nc(N2CCCCC2)ccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72219276 ZDLCLYWUTALQHP-OAQYLSRUSA-N 379.504 4.854 0 40 GJAB O=C(NC1CCCCCC1)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 96038004 FCYXPBVSWMMNTF-UHFFFAOYSA-N 399.498 4.640 0 40 GJAB COc1ccc(C(C)(C)C)cc1CN1C[C@@H]2CCC[C@@H](C1)C2(O)c1ccccn1 100148928 JZIZAFMPKVRZTL-SFTDATJTSA-N 394.559 4.507 0 40 GJAB O=C(O)c1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 106724782 YZIMZLWXHNXING-UNOMPAQXSA-N 389.432 4.775 0 40 GJAB Fc1ccccc1COc1ccc(Br)cc1C(=S)N1CCCC1 107790526 NAMWVJDYYFIDEZ-UHFFFAOYSA-N 394.309 4.939 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219456735 LXVRJUJMTQWWDP-UHFFFAOYSA-N 394.858 4.881 0 40 GJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCSC1CCCCC1 219459122 CFYDDLAHTGQZCK-UHFFFAOYSA-N 396.556 4.762 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc2O1 222748301 OYWLUABWGGSHHQ-NCUBBLFSSA-N 379.456 4.627 0 40 GJAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223407872 YTBADKIEXLXWCH-NRFANRHFSA-N 386.923 4.736 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)ccc1Cl 223732316 NWOXVGHOURLGCS-MRXNPFEDSA-N 389.923 4.908 0 40 GJAB O=C(NCc1ccccc1CN1CCCCC1)C1(c2ccccc2)CCCC1 224852162 WPPBPHNXLLCINH-UHFFFAOYSA-N 376.544 4.801 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)c1 225434609 VODSQRKHHHLEJR-KRWDZBQOSA-N 391.467 4.774 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(OC)c(OC)c2)cc1 225498002 OAGPXGXDXWZKLK-GOSISDBHSA-N 388.533 4.786 0 40 GJAB O=C(Nc1cccc(O)c1)c1cc(Br)ccc1OCc1ccccc1 408586287 MPHBVDOZXIXKCU-UHFFFAOYSA-N 398.256 4.986 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 408624037 WSRIRLLVSKALGC-UHFFFAOYSA-N 388.467 4.907 0 40 GJAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2cccnc2)CCCC3)cc1 409110243 ADZCBRLXOFNUTD-UHFFFAOYSA-N 391.496 4.835 0 40 GJAB Cc1csc([C@H]2CCCN(Cc3csc(-c4cccc(C(=O)O)c4)n3)C2)n1 577499905 LAAUTGMPMAJIQI-INIZCTEOSA-N 399.541 4.653 0 40 GJAB O=C(Nc1cccc(-c2noc(-c3cncc(Cl)c3)n2)c1)c1ccccc1F 1615610999 SZQVDVYAWOQQCH-UHFFFAOYSA-N 394.793 4.843 0 40 GJAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cn1)c1nc3ccccc3nc12 1020359 VLCBARWWNGCOCQ-YADHBBJMSA-N 392.890 4.646 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1Cl 1261842 RGSMKEWEIHWRCW-UHFFFAOYSA-N 379.869 4.524 0 40 GJAB CCCc1nc2ccc(N)cc2c(=O)n1Cc1ccc(-c2ccc(OC)cc2)cc1 1331493 MQDYRXBTXXJJRV-UHFFFAOYSA-N 399.494 4.655 0 40 GJAB c1ccc(-c2nc3c(c(SC[C@@H]4COc5ccccc5O4)n2)CCCC3)cc1 2443707 IPJFTGLFGMFWTI-KRWDZBQOSA-N 390.508 4.955 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1OC 3322936 QVCXVYWOKFGZOL-UHFFFAOYSA-N 380.878 4.795 0 40 GJAB CCCn1c(C)cc(-c2csc(NC(=O)c3ccc(NC(C)=O)cc3)n2)c1C 3340718 RCVXWTRMMPKVAL-UHFFFAOYSA-N 396.516 4.849 0 40 GJAB Cc1c(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)oc2ccccc12 3428323 QEEMCHKWKTUDGS-UHFFFAOYSA-N 398.462 4.966 0 40 GJAB Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)Cc2cccs2)CCCCC1 3625549 RGQIMMZQZZVFNM-UHFFFAOYSA-N 384.545 4.707 0 40 GJAB Cc1ccc(-c2nc3ncccn3c2NC(=O)c2cccc(C(F)(F)F)c2)cc1 4033776 IOGNXILIBGZZGM-UHFFFAOYSA-N 396.372 4.976 0 40 GJAB COc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2cn(C)c3ccccc23)cc1 4740090 WEVLMYTWRUKRKD-XMMPIXPASA-N 382.463 4.932 0 40 GJAB COc1cc(SC)ccc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 4979749 TZIPYEXNSAFSEK-ZSZQSSIHSA-N 394.533 4.578 0 40 GJAB Cn1c(SCc2ccccc2Cl)nc2sc3c(c2c1=O)CCCC3 5046977 COUOLRXDFRLUSN-UHFFFAOYSA-N 376.934 4.820 0 40 GJAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccc(F)cc2)N1 5072079 QCCRBBGYWXORFX-NRFANRHFSA-N 384.414 4.624 0 40 GJAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(O)c1 5226104 VCKCXBBFRKLBDE-INIZCTEOSA-N 375.424 4.552 0 40 GJAB CCSc1nc(SCCCN(C)C)c2c3c(sc2n1)COC(C)(C)C3 5428304 XHGJDMDTOLKAIG-UHFFFAOYSA-N 397.635 4.698 0 40 GJAB CCc1cccc(CC)c1NC(=S)NC(=O)c1ccc(Br)cc1 5549441 PHNGFSCBIVNEKD-UHFFFAOYSA-N 391.334 4.701 0 40 GJAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 6033850 ZTPKACROZFVBIB-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB Cc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3F)s2)cc1 6237445 UNDUSJPAGHBYNL-UHFFFAOYSA-N 377.441 4.669 0 40 GJAB C[C@H](Oc1ncnc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1 6508994 YEFAUAMPPNWUTB-INIZCTEOSA-N 385.423 4.828 0 40 GJAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccc(Cl)c2)cc1 6630462 DXHWXNUAJNBUOX-UHFFFAOYSA-N 394.858 4.759 0 40 GJAB COc1ccc(C(=O)c2sc(-c3c(C)nc4ccccn34)nc2C2CC2)cc1 6650653 PCZLLNYFNWLTAA-UHFFFAOYSA-N 389.480 4.883 0 40 GJAB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cnc3ccccc3n2)cc1 7363652 MYMOGVQVXJNZEJ-HSZRJFAPSA-N 396.450 4.800 0 40 GJAB Cc1cccc(NC(=O)CN(C)Cc2ncc(-c3ccc(Cl)cc3)o2)c1C 7454825 CLCZIROOMVQMNY-UHFFFAOYSA-N 383.879 4.682 0 40 GJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(C(C)(C)C)cc1 7720244 VTOFRZPHBHFWSC-UHFFFAOYSA-N 383.879 4.960 0 40 GJAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1CN1CCCC1 8076370 HXHWVDIREDCHTB-UHFFFAOYSA-N 397.569 4.706 0 40 GJAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 8862999 GEYXNSTXEFGJHM-NRFANRHFSA-N 386.561 4.882 0 40 GJAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3cccc(OC(C)C)c3)sc2c1 8903628 GCFVOIUUFARCFP-UHFFFAOYSA-N 398.484 4.901 0 40 GJAB Cc1ccc(SCCC(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 10210658 REXVSICYWHYIJT-ZDUSSCGKSA-N 395.883 4.840 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCSCc2ccccc2F)cc(C)c1Cl 10282405 VWTRQOTUGJGBNJ-OAHLLOKOSA-N 395.927 4.913 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 10925063 ZTYXKMGEAHVZFQ-NSHDSACASA-N 393.270 4.748 0 40 GJAB Oc1c(Cl)cc(-c2nc3cnccn3c2NCc2ccco2)cc1Cl 12113835 JDZMYUQFKIQENC-UHFFFAOYSA-N 375.215 4.614 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12226356 DROWBMBREZSHPX-UHFFFAOYSA-N 396.796 4.889 0 40 GJAB CC(C)n1ncc2c(C(=O)N[C@@H](C)c3ccncc3)cc(-c3ccccc3)nc21 12511510 LQRWVTCOXZENSA-INIZCTEOSA-N 385.471 4.565 0 40 GJAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1 12631657 NZDYSDKJTOCJKP-ZDUSSCGKSA-N 394.500 4.516 0 40 GJAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1Cc1nc(C(C)(C)C)no1)OCCO3 12777663 OHFQHRYZQUFFSX-OAHLLOKOSA-N 397.519 4.527 0 40 GJAB COc1ccc([C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 20025307 QSEAJSZWQOVPGC-KRWDZBQOSA-N 375.468 4.713 0 40 GJAB CC(C)[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1nc2ccccc2[nH]1 24828304 HJSNIGSTQAKIKC-JOCHJYFZSA-N 388.471 4.664 0 40 GJAB O=C(C[C@H](C(=O)O)c1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl 25207004 VZFBUFPVOQCRNZ-JTQLQIEISA-N 390.625 4.983 0 40 GJAB O=C(NCc1ccccn1)/C(=C/c1ccc(Br)cc1)c1cccs1 29517270 AJNWNBVEVULMIA-SFQUDFHCSA-N 399.313 4.763 0 40 GJAB CSc1cccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccc(F)cc4)nn32)c1 32105794 JYUGNACDIFNGCP-KRWDZBQOSA-N 396.447 4.583 0 40 GJAB O=C(c1nc(Cl)ccc1Cl)N1CCCc2cc(OC(F)(F)F)ccc21 32922929 AOLVLHGWTMHTEL-UHFFFAOYSA-N 391.176 4.880 0 40 GJAB Cc1ccc2[nH]c(CSCC(=O)Nc3ccc(F)c(Cl)c3)cc(=O)c2c1 33064008 LKNBTOBJOQDHLE-UHFFFAOYSA-N 390.867 4.501 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3nnc(C(C)C)s3)c12 40131855 LMHVWSPCOQBAHC-UHFFFAOYSA-N 398.536 4.599 0 40 GJAB CCOc1ccc(CCNC(=O)c2[nH]c3ccccc3c2Cl)cc1OCC 40143689 DGXARSIDXWKKCN-UHFFFAOYSA-N 386.879 4.591 0 40 GJAB Brc1ccc2c(Br)c(OC[C@H]3CCCNC3)ccc2c1 42774541 BASYUXWPBYXJPQ-NSHDSACASA-N 399.126 4.743 0 40 GJAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 47156172 FACWYSYABJJTMJ-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)ccc1OC(C)C 50547825 PKQVNBZXRPHYEC-WQRHYEAKSA-N 384.457 4.577 0 40 GJAB Cc1noc(C)c1COc1ccc([C@H]2CC(O)=Nc3c2cnn3C(C)C)cc1 71282498 OPNBKFKYNVODOI-QGZVFWFLSA-N 380.448 4.771 0 40 GJAB O=C(O)c1ccc([C@H]2SCC(O)=Nc3ncn(-c4cccc(Cl)c4)c32)cc1 95478053 WXTVLIZFSBUAMP-QGZVFWFLSA-N 399.859 4.648 0 40 GJAB CCOc1ccc(-c2csc(NC(=O)c3ncccc3C(F)(F)F)n2)cc1 95983272 UBJLZRNGAWLFGG-UHFFFAOYSA-N 393.390 4.875 0 40 GJAB Cc1ccc(NC(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1C 96102982 COVUPSLJGBIIEJ-UHFFFAOYSA-N 399.454 4.983 0 40 GJAB COC(=O)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 118915901 FMACOWSJEUFNHK-WFPJOYHSSA-N 388.548 4.545 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)cc1 206900860 OSORDHQJKSTEQV-UHFFFAOYSA-N 399.450 4.530 0 40 GJAB Cc1cccc(CSCC(=O)NCCSCc2ccc(Cl)cc2)c1 222735780 KLHNJVWHFFODCO-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC(C)C 222929774 CMEYHEPTWPLFLJ-VXKWHMMOSA-N 390.556 4.809 0 40 GJAB S=C(NCc1ccco1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 223902886 KLBKOOVXVLHWAL-UHFFFAOYSA-N 375.906 4.966 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc21 225122964 JXWCBXIXTMNNLL-UHFFFAOYSA-N 384.501 4.532 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2)cc1Cl 225469875 YDPPPYPYDINPOU-CYBMUJFWSA-N 376.909 4.873 0 40 GJAB COC1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCCCCC1 225630979 ISLRXAQJKMJNBC-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB COc1cccc(-c2nnsc2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 225766180 JPURILVNMKSJLA-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)cc1C(=O)OCC 225821876 PCPNUCCIXKQXMG-NRFANRHFSA-N 379.497 4.576 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225825036 VRVNYXQKUMUEIN-AOMKIAJQSA-N 393.524 4.965 0 40 GJAB COc1cc(/C=C/C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 226336513 UAVAHRKBIYCDEK-GORDUTHDSA-N 386.662 4.733 0 40 GJAB COc1cc(/C=C/c2nnc(N)o2)cc(Cl)c1OCc1ccccc1Cl 226338421 PWINYLQPVWZCRP-VOTSOKGWSA-N 392.242 4.717 0 40 GJAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(Br)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257213889 CJNQUSAGFRKSQU-FXJWEYNDSA-N 380.326 4.610 0 40 GJAB CCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)/C=C/c1ccc(Cl)cc1 408528119 AVOBMRMBDPWBHF-HYIMWACQSA-N 387.819 4.995 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(F)c(C)c2)cc(Br)c1OCC 408624091 UHWDKZLTTUGYMF-UHFFFAOYSA-N 396.256 4.946 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)OC)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 408625090 WHGPWRAPZPTTBR-DOWMQLCMSA-N 391.467 4.556 0 40 GJAB COc1cc(/C=C2\Sc3ccccc3NC2=O)cc(Br)c1OC 409098135 NLEYPKYWQHECCD-DHDCSXOGSA-N 392.274 4.552 0 40 GJAB CCCOc1c(I)cc(CNc2ccccc2)cc1OC 409122486 ZQUSAQOULVTANX-UHFFFAOYSA-N 397.256 4.701 0 40 GJAB COc1ccc(/C=C/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 409123838 FCCRVACNJLFOCK-YDVLGVQHSA-N 379.481 4.921 0 40 GJAB CC(C)(Oc1ccc(F)cc1)c1nc(-c2cnc(Oc3ccccc3)cn2)no1 520457320 IILSIEJYIDTMOC-UHFFFAOYSA-N 392.390 4.772 0 40 GJAB OCC1CCN(c2ccc(Cl)cc2NCc2cccnc2C(F)(F)F)CC1 530114282 UPJFIELFHOROKU-UHFFFAOYSA-N 399.844 4.575 0 40 GJAB COc1cccc(C2=CCN(C(=O)Nc3ccc4oc(C5CC5)nc4c3)C2)c1 543706870 DOIZGQKMAWQPEH-UHFFFAOYSA-N 375.428 4.645 0 40 GJAB Fc1cccc(Br)c1CN1CCn2cccc2[C@H]1c1ccccc1 1652738929 PLAOLRNWGXCLBV-HXUWFJFHSA-N 385.280 4.995 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)c(C)c1 903039 MLXLXQMZTFXLSQ-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB CN(C(=O)COc1ccc(Br)cc1C(C)(C)C)C1CCCCC1 944966 GRWDUAVARFDMPN-UHFFFAOYSA-N 382.342 4.917 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1 2061450 ZADCRRUYFDVAKS-UHFFFAOYSA-N 383.469 4.697 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC(C)(C)SC2 2373186 SQBHJFWLOCGNTH-UHFFFAOYSA-N 375.515 4.745 0 40 GJAB Cc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)n3ncnc3N2)cc1C 2919637 QRBZPWVQTKVAAV-QZTJIDSGSA-N 383.293 4.804 0 40 GJAB O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 2998315 DSRCHPBNEWQKIN-UHFFFAOYSA-N 395.261 4.623 0 40 GJAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccccc1C(F)(F)F 3329677 JHTKDNXNRFLDDR-UHFFFAOYSA-N 387.423 4.812 0 40 GJAB CCOc1ccc(C(=O)C[C@H](SCc2ccc(Cl)cc2)C(=O)O)cc1 4118438 SIMRPLDHTYWVHW-SFHVURJKSA-N 378.877 4.698 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)c1 4392176 JFHNZHOSNSLNDS-UHFFFAOYSA-N 384.530 4.565 0 40 GJAB CCCCCCC1=NN(C(=O)c2ccccc2Cl)[C@@](O)(C(F)(F)F)C1 4599017 VXPNMJSOHRRZDF-INIZCTEOSA-N 376.806 4.763 0 40 GJAB CN(C)c1ccc(Sc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 4662879 FVOVEWAXPWEHHW-UHFFFAOYSA-N 390.921 4.661 0 40 GJAB Cc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C3CC3)c3ncnn32)cc1 4732722 AHHJBNSSTGPYAZ-VQTJNVASSA-N 392.890 4.717 0 40 GJAB Cc1ccc(CNC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)cc1 5147149 SWSCIJWSKZYMBX-UHFFFAOYSA-N 375.497 4.539 0 40 GJAB COc1ccccc1-c1nnc(SCCCOc2ccc(Cl)cc2)n1C 5319415 PFVWKYACSJRIRQ-UHFFFAOYSA-N 389.908 4.705 0 40 GJAB CC(=O)c1cccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 6258336 GZCGNTHMNMJTHJ-UHFFFAOYSA-N 386.860 4.684 0 40 GJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3Br)S2)cc1 6713565 IEQQBEYVPJYLCK-QMJOVRGKSA-N 389.318 4.611 0 40 GJAB Cc1cccc(Cc2cnc(N3C(=N)S[C@@H](c4ccccc4)C3=O)s2)c1 6812542 XKRCEMUFQGJNOM-KRWDZBQOSA-N 379.510 4.798 0 40 GJAB aggregator O=C(COCc1cc(-c2cccs2)on1)Nc1cc(Cl)cc(Cl)c1 6876558 IGZXWLNSVHBAAF-UHFFFAOYSA-N 383.256 4.865 0 40 GJAB CC(C)[C@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1cccs1 7118875 VACAWKDPLVQGEE-INIZCTEOSA-N 381.423 4.630 0 40 GJAB COc1ccc(-c2nc(-c3ccc(CC[C@H](C)NC(C)=O)cc3)cs2)cc1 7643736 NRZDWLRINXYJQR-HNNXBMFYSA-N 380.513 4.943 0 40 GJAB COc1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)ccc1OCc1ccccc1 8161065 DTMOQFBRVRHVMC-TZIWHRDSSA-N 379.500 4.927 0 40 GJAB Cc1sc2nc(CSc3ccccc3)nc(N3CCC[C@@H](CO)C3)c2c1C 8177877 VOAODLOCEBEKBO-MRXNPFEDSA-N 399.585 4.809 0 40 GJAB Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2NC(=O)c3ccccc3N2)cc1 8192939 KXWORILXHBOPOE-XMMPIXPASA-N 394.478 4.761 0 40 GJAB Cc1cccc(-c2nnc(SCc3cc(=O)c4cccc(Cl)c4[nH]3)n2C)c1 8619582 VGQBDXLDWGJQSP-UHFFFAOYSA-N 396.903 4.578 0 40 GJAB CCCOc1ccc(-c2csc(NC(=O)Cc3ccc4c(c3)OCO4)n2)cc1 9521285 XUTMOZBVWSAMTB-UHFFFAOYSA-N 396.468 4.509 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(F)c(F)c1 9708220 PGLJJXDAPXPYOJ-IBGZPJMESA-N 384.451 4.560 0 40 GJAB Cc1ccc(OCCC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 12544529 QUSAJUWUXQRBDA-HNNXBMFYSA-N 387.430 4.695 0 40 GJAB CCOCCn1/c(=N\C(=O)c2cc3ccccc3o2)sc2cc(C)ccc21 13145098 OJZDGQQKTRILOJ-QURGRASLSA-N 380.469 4.535 0 40 GJAB Cc1ccc(CNC(=O)CCCCCNc2nc(=S)[nH]c3ccccc23)cc1 13496852 KUVNBXLFUYFDKH-UHFFFAOYSA-N 394.544 4.890 0 40 GJAB C[C@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc2ccccc2c1 16694819 JMELRDSGEZFCEO-HNNXBMFYSA-N 390.405 4.675 0 40 GJAB O=C(NC1CCCCCC1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 18209588 HXQNIXSQOFTYER-BBRMVZONSA-N 396.413 4.589 0 40 GJAB Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)[C@@H]2CC=CCC2)n1 19286987 ZWLFGNAIZLCXQW-JOCHJYFZSA-N 398.510 4.732 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1nc(CN2CCc3ccccc3C2)cs1 21681465 FBWOAJROQPVVQU-UHFFFAOYSA-N 397.931 4.536 0 40 GJAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCCC3)c(O)n2n1 22853001 XAHJLVWTTICPSA-CQSZACIVSA-N 397.331 4.551 0 40 GJAB CCOc1cc(C(=O)N(CC)c2ccccc2C)cc(Br)c1OC 22993832 WNUNUFYKGVCADP-UHFFFAOYSA-N 392.293 4.832 0 40 GJAB O=C(Nc1ccccc1Cl)[C@@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 23142941 KCQOECQMDFWOJE-CQSZACIVSA-N 398.919 4.714 0 40 GJAB O=C(N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 27016290 CETLDIVUOHMAQE-AWEZNQCLSA-N 384.134 4.642 0 40 GJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 28189081 QBYMZMSIBOHQBW-LLVKDONJSA-N 393.921 4.591 0 40 GJAB CCn1nc(C)cc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 28245886 OZVYBYIBNXDCJQ-UHFFFAOYSA-N 394.258 4.943 0 40 GJAB O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)Nc1ccc(F)cc1F 28306136 TURMDRAZUZTZNU-UHFFFAOYSA-N 396.756 4.634 0 40 GJAB COc1ccc(C(=O)N[C@H](c2cccs2)C(C)C)cc1OCc1ccncc1 32421870 QAUJSMCRMHDMIM-NRFANRHFSA-N 396.512 4.858 0 40 GJAB Cc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccs4)n3)c2)cc1 33327437 WGLNSAQGSKTSJC-UHFFFAOYSA-N 391.452 4.791 0 40 GJAB O=C(NC[C@@H](O)c1ccccc1F)Nc1cc(Cl)c(Cl)cc1Cl 40098565 ZKDPZLWERGXCAZ-CQSZACIVSA-N 377.630 4.641 0 40 GJAB COc1cccc([C@H](C)NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 40488460 KYLYJGIGIXAPAD-NSHDSACASA-N 388.826 4.942 0 40 GJAB Cc1ccc(CN2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 44918352 JUNJTDLZLGKMCA-QFIPXVFZSA-N 392.543 4.626 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc(-c5cnco5)cc4)CC3)c2c1 57143382 MEFIXWAZVMVOST-UHFFFAOYSA-N 399.450 4.761 0 40 GJAB COc1cc(OC)cc(-c2noc(-c3sc(-c4ccccc4)nc3C)n2)c1 57509591 NUIYHRRNVSUZAG-UHFFFAOYSA-N 379.441 4.853 0 40 GJAB O=C1OCC(c2ccc3c(c2)OCCCO3)=C1c1ccc(Cl)c(Cl)c1 58248102 ZRAVPFSDWNBNOO-UHFFFAOYSA-N 377.223 4.622 0 40 GJAB CCC[C@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 60378384 YIHZKNFQZVDLOC-HNNXBMFYSA-N 388.430 4.530 0 40 GJAB O=C(Nc1nnc(C2CCC2)s1)c1cc(-c2ccncc2)nc2ccccc12 61718441 DKAFJBLSFHJZGR-UHFFFAOYSA-N 387.468 4.668 0 40 GJAB C[C@@H](OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1cnc2ccccc2c1 95942861 NIUJOEQSGWSYCJ-AUUYWEPGSA-N 384.476 4.532 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c(OC)c1OC 95948262 ZKGLIIPGRWXEDW-UHFFFAOYSA-N 398.484 4.705 0 40 GJAB CCc1nn2c(O)cc(-c3ccc(OC)cc3)nc2c1-c1ccc(Cl)cc1 102720430 BUBSGWHBUMHMRB-UHFFFAOYSA-N 379.847 4.993 0 40 GJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@H](c4cccs4)C3=C(O)C2)cc1 102751897 JHSVPQOMIMATBU-KPZWWZAWSA-N 394.456 4.769 0 40 GJAB CC(C)(C[C@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O 113498840 JFUAWXPBHXKZGA-LJQANCHMSA-N 396.384 4.611 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(C(=O)OC)ccc1Cl 222958635 LOOZNKMXDQOSGN-KRWDZBQOSA-N 375.852 4.540 0 40 GJAB CC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2 223094626 ANLDGTUVYDWLKC-OAQYLSRUSA-N 381.516 4.783 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 225005445 FTGKOGSSXSTIRW-IBGZPJMESA-N 390.936 4.686 0 40 GJAB CC(C)CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@@H]2C)n1 225892151 ZRMVSZQROGXNQG-INIZCTEOSA-N 399.564 4.590 0 40 GJAB COc1ccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1OC 226286787 BWDPDYLNSATPIC-UHFFFAOYSA-N 386.407 4.672 0 40 GJAB Cc1ccccc1CC(=O)N1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 306141300 VRDBXMBMXSXKJT-QHCPKHFHSA-N 396.494 4.611 0 40 GJAB Cc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1Cl 408709386 RXGJIBNAAMXPLJ-UHFFFAOYSA-N 392.886 4.535 0 40 GJAB COCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O 409231029 HTLQMZJNITXZQB-XSFVSMFZSA-N 397.496 4.647 0 40 GJAB CCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)cc1 409368563 CCVYAZLJJUEXOQ-HIGZBPRKSA-N 399.490 4.871 0 40 GJAB Cc1nc(NC2CCN(Cc3ccc4[nH]ccc4c3)CC2)c2cc(C)sc2n1 585292289 GUIGADNVWYOETP-UHFFFAOYSA-N 391.544 4.866 0 40 GJAB O=C(C1CCCCC1)N1CCC(Cc2cccc(Nc3nccs3)n2)CC1 2037834738 JEBIQYGUSLHVJQ-UHFFFAOYSA-N 384.549 4.643 0 40 GJAB Cc1nc2sc3c(=O)n(-c4cccc5ccccc45)nnc3c2c(C)c1Cl 720581 ZANYDFGCKOVNTC-UHFFFAOYSA-N 392.871 4.814 0 40 GJAB CCc1ccc(-c2nn(-c3cc(Cl)ccc3N)c(=O)c3ccccc23)cc1 1435816 WARFVJHVQZSCHB-UHFFFAOYSA-N 375.859 4.851 0 40 GJAB CCOC(=O)Cc1ccc(NCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 1443691 TWCIQYIZMSOBOF-UHFFFAOYSA-N 380.271 4.784 0 40 GJAB CCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@H](C(C)C)C4 1836767 KVDAYHCNSWYDAG-LLVKDONJSA-N 394.591 4.660 0 40 GJAB CCN(CC)CCOC(=O)[C@@H](Cc1ccco1)Cc1cccc2ccccc12 2187419 GEDFZLCVHFEVFH-OAQYLSRUSA-N 379.500 4.719 0 40 GJAB COc1cccc(C(=O)Oc2c(Cc3ccccc3)c(=O)oc3ccccc23)c1 2447699 CMYXDNVAAVKKME-UHFFFAOYSA-N 386.403 4.612 0 40 GJAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cc(=O)c2ccccc2o1 2483618 PRPQZNOPRTVGTL-UHFFFAOYSA-N 382.375 4.854 0 40 GJAB Cc1cc(NC(=O)CSc2nc3ccccc3s2)n(-c2ccccc2)n1 2506044 JDSMRBMGGOGQBQ-UHFFFAOYSA-N 380.498 4.521 0 40 GJAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCCN(C)C)ncnc32)cc1 2714333 HIPUJOBUAPKCIA-UHFFFAOYSA-N 385.515 4.760 0 40 GJAB CC(=O)Nc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 3438088 OQCJZTSNBUMNIM-NEPJUHHUSA-N 395.286 4.597 0 40 GJAB Cc1noc(C)c1CSCC(=O)Nc1ccc(OCc2ccccc2)cc1 3446122 WPUFCORVDBTTIL-UHFFFAOYSA-N 382.485 4.742 0 40 GJAB O=C(Cc1coc2cc3c(cc12)CCC3)NCC1(N2CCCCC2)CCCCC1 3451238 XOBUUMBOHHXQDN-UHFFFAOYSA-N 394.559 4.769 0 40 GJAB CC1=C[C@@H](C)[C@]2(COC(=O)CN3CCCCC3)CO[C@H](c3ccccc3)[C@H]1[C@H]2C 4026351 HNJMMPWWHNRBHV-QEYZJBADSA-N 397.559 4.622 0 40 GJAB biogenic CCOc1ccc(C(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)cc1 4392550 QQTDNPMWZAMLID-UHFFFAOYSA-N 380.513 4.798 0 40 GJAB O=C(Nc1ccc(F)cc1)/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 4567457 XMBJZSULRRSWRF-ZHZULCJRSA-N 394.833 4.889 0 40 GJAB Cc1cccc(C(=O)NCCc2nc3ccccc3n2Cc2cc(C)ccc2C)c1 5234810 SIPQBLSMXMLYGB-UHFFFAOYSA-N 397.522 4.982 0 40 GJAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c(OC)c1 5320613 FYZWDURMACDDJS-XUZZJYLKSA-N 386.451 4.946 0 40 GJAB CCN(CC)C(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3 5585259 OBLWELNGAMRGAS-UHFFFAOYSA-N 385.558 4.968 0 40 GJAB O=C(O)[C@H]1[C@@H]2c3ccc4ccccc4c3[C@@H](c3ccc4ccccc4c32)[C@H]1C(=O)O 6118300 LBRBVSQTXLMADP-YCAMKHIRSA-N 394.426 4.985 0 40 GJAB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1S[C@@H]1CCOC1=O 6565483 QNLAEHYXRNJDEK-GOSISDBHSA-N 384.888 4.909 0 40 GJAB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cc(Cl)ccc1Cl 6615721 SDDSGPHLZPMGDP-UHFFFAOYSA-N 394.327 4.720 0 40 GJAB CNC(=O)c1c(NC(=O)c2oc3ccc(C)cc3c2C)sc2c1CCCC2 6860135 SPDVJPIWPANHAO-UHFFFAOYSA-N 382.485 4.602 0 40 GJAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc2ncsc2c1 7510285 XMZJDUFRIKZEKR-UHFFFAOYSA-N 391.239 4.905 0 40 GJAB C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1ccccc1Cl 7736662 WDEIOVKCTANOKT-SNVBAGLBSA-N 396.850 4.767 0 40 GJAB CCN(c1ccc(-c2csc(-c3ccc(C)cc3C)n2)cc1)S(C)(=O)=O 7777471 CHHGVOLLLVAIOQ-UHFFFAOYSA-N 386.542 4.880 0 40 GJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(OCc2ccccc2)cc1 7781094 SCNIKXQOCDDDQB-UHFFFAOYSA-N 399.450 4.588 0 40 GJAB C[C@@H](NC(=O)c1cccnc1SC(F)F)c1nc2ccccc2n1C(F)F 8704407 QPIVBLJKKMMUMO-SECBINFHSA-N 398.385 4.632 0 40 GJAB COc1ccccc1Nc1nc(C)c2c(n1)C[C@H](c1ccc(F)cc1)CC2=O 9939263 HDTCMUINNOYVSF-HNNXBMFYSA-N 377.419 4.589 0 40 GJAB CCc1ccc(CN(C)C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12778589 AZHAOZNJDACBJW-HSZRJFAPSA-N 396.531 4.949 0 40 GJAB O=C(Nc1ccnn1Cc1ccccc1Br)c1cc2ccccc2o1 12808668 HRQCJOBNOSFLCE-UHFFFAOYSA-N 396.244 4.692 0 40 GJAB CCOC(=O)c1sc2nc(C)nc(N(C)Cc3cccc(Cl)c3)c2c1C 13062605 XNWRSJCLPGBWKB-UHFFFAOYSA-N 389.908 4.775 0 40 GJAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCc3cccc(F)c3F)c2C)cc1 14678156 BNRKKDOYWUMTHL-VAWYXSNFSA-N 396.437 4.891 0 40 GJAB COc1cc(CNC(=O)CCCc2cccs2)ccc1OCc1ccccc1 18160815 ODXNBMBASANCGS-UHFFFAOYSA-N 395.524 4.975 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(Cc2cccs2)CC1 19540080 PVVPFXSWTPEYEB-UHFFFAOYSA-N 399.604 4.751 0 40 GJAB CC(C)c1nc2ccccc2n1CCCC(=O)N[C@@H]1CCOc2ccccc21 19667002 GCDHECCECDISJR-GOSISDBHSA-N 377.488 4.580 0 40 GJAB Cc1cc(C)c2cc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)[nH]c2c1 19714644 ZAARAYFNYUHYIJ-UHFFFAOYSA-N 375.472 4.581 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2noc(-c3ccc(Cl)cc3)n2)c1 21800685 DSRMLMYFZKAXHR-UHFFFAOYSA-N 385.851 4.839 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)N(Cc2ccccc2)C2CC2)cc1 22901870 FQJXNFAZNPFGIE-UHFFFAOYSA-N 390.483 4.604 0 40 GJAB C[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c2ccccc2S1 24584841 CRUVAIRCCBPSNP-QWHCGFSZSA-N 384.526 4.650 0 40 GJAB O=C(Cc1ccccc1)Nc1cc(Cl)cc(Br)c1OC(F)F 24759128 HKMCPUWVMCPWNP-UHFFFAOYSA-N 390.611 4.885 0 40 GJAB O=C(CSCc1cn(-c2ccccc2)nc1-c1ccccc1)NC1CCCC1 24843714 VXKOIGYSMZEOMP-UHFFFAOYSA-N 391.540 4.831 0 40 GJAB Cc1cc2oc(C(=O)N3CCC(Cc4ccccc4)CC3)cc(=O)c2cc1Cl 27749874 AJOUMEALQJJPNH-UHFFFAOYSA-N 395.886 4.850 0 40 GJAB O=C(Nc1nnc(-c2ccccc2)s1)c1cc(-c2ccccc2Cl)[nH]n1 28966232 NLBNIRMBSVOANV-UHFFFAOYSA-N 381.848 4.501 0 40 GJAB O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1ccc(F)cc1F 32611728 OZWMIMSPAJROGU-UHFFFAOYSA-N 382.197 4.769 0 40 GJAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)s1 32899117 GHZFFRFNVBCREF-CYBMUJFWSA-N 386.498 4.805 0 40 GJAB CN(C(=O)COc1ccc(Oc2ccccn2)cc1)[C@H]1CCCc2ccccc21 32907190 RGAHWCJZGVXLDU-QFIPXVFZSA-N 388.467 4.789 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3c(C)nn(C)c3n2)cc1 36613378 AOFZGZDELUCBGN-UHFFFAOYSA-N 386.455 4.513 0 40 GJAB O=C(NCC1(c2ccccc2)CCOCC1)C1c2ccccc2Oc2ccccc21 38591959 GYZHURGTSUKYFL-UHFFFAOYSA-N 399.490 4.789 0 40 GJAB CC(C)[C@@H](NC(=O)c1cccc2ncccc12)c1ccc2c(c1)OCCCO2 40047314 BTYMJRDNSUWUGY-JOCHJYFZSA-N 376.456 4.523 0 40 GJAB CC(C)(C)c1nnc(SCc2nc(N)c3c4c(sc3n2)CCCCC4)o1 42569524 SMZNRAAZHYZGGP-UHFFFAOYSA-N 389.550 4.515 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2nc(-c3ccco3)cs2)c1 46014755 RHXDWOGIOUEKDX-INIZCTEOSA-N 399.472 4.789 0 40 GJAB CC(C)(C)OC(=O)N1CCC(c2ccnc3cc(-c4cccc(F)c4)nn23)CC1 57729228 QNCZWPILQDJXCY-UHFFFAOYSA-N 396.466 4.650 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2nnc(C(C)(C)C)s2)cc1 71818887 NPPNKHGVWDSTIB-INIZCTEOSA-N 388.537 4.993 0 40 GJAB O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)c[nH]1 72288653 RMZAGEMCSYZIJY-LJQANCHMSA-N 399.853 4.612 0 40 GJAB COc1ccc(-c2nn3c(COc4cccc5ccccc45)nnc3s2)cc1 72333593 UYUCSJQYVDKOEE-UHFFFAOYSA-N 388.452 4.594 0 40 GJAB CC(=O)Nc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72348619 JMWJVWOIRKLMII-OAQYLSRUSA-N 399.494 4.727 0 40 GJAB Cc1cc(-n2cnnc2)cc2nc(-c3cc(Br)ccc3Cl)oc12 73639469 UBKNEHPWXBJGLA-UHFFFAOYSA-N 389.640 4.800 0 40 GJAB Cc1cc(C[C@H](C)NC(=O)Cc2ccc3ccccc3c2)n(-c2ccccc2)n1 84105215 AKXPRNZNEKIGKF-SFHVURJKSA-N 383.495 4.624 0 40 GJAB C[C@@H](NC(=O)/C=C/c1c(Cl)nc2sccn12)C12CC3CC(CC(C3)C1)C2 84633271 JVIWSSFPMYENFZ-ZHOHCUKTSA-N 389.952 4.784 0 40 GJAB CSc1cnc2ccccc2c1NC1CCN(C(=O)c2ccccc2F)CC1 96011520 WDMFRHNQYZEGFQ-UHFFFAOYSA-N 395.503 4.813 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 102846198 VZDZCKMDXCMUQJ-SZNDQCEHSA-N 386.517 4.943 0 40 GJAB CCn1c(Cl)nc2cc(C(=O)N(Cc3cc(C)n(C)c3C)C(C)C)ccc21 222561858 MQDFAEBUKUMIEA-UHFFFAOYSA-N 386.927 4.716 0 40 GJAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)S1 222628240 MIPCOLXPXWDSPF-AGRHKRQWSA-N 395.919 4.510 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)Nc2nnc(SCC(C)C)s2)cc1 223575603 MKVDDMJQKDJHKG-OAHLLOKOSA-N 379.551 4.645 0 40 GJAB COc1ccc(-c2nnsc2C(=O)OCc2ccc(Cl)c(Cl)c2)cc1 223838685 PGARUEJWTYCJQM-UHFFFAOYSA-N 395.267 4.878 0 40 GJAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COCC(C)C 224452552 DMHDYYLSGIURDL-UHFFFAOYSA-N 395.543 4.963 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(C)cc2)ccc1Cl 225469803 QXSDYMFQAXJDMZ-CYBMUJFWSA-N 376.909 4.873 0 40 GJAB CCCCc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 225506237 ZWHPNVQXLCMDTN-UHFFFAOYSA-N 392.546 4.510 0 40 GJAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(F)cc1 225583234 WJTIAVDKVHXTKH-CQSZACIVSA-N 392.877 4.708 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CC[C@H](Oc3cc(C(F)(F)F)ccn3)C2)cc1 225730080 ARFHYGQNYYIXOH-KRWDZBQOSA-N 392.421 4.691 0 40 GJAB COc1ccccc1-c1ccccc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCCC[C@H]2O1 257308990 TZBMGWOZRWOLMZ-XWVZOOPGSA-N 379.500 4.887 0 40 GJAB COC(=O)c1ccc2c(c1)[C@H]1O[C@@H](Cc3ccc(F)cc3)CC[C@@H]1C(C)(C)O2 257322420 WFWYOQGRWXUSON-SLYNCCJLSA-N 384.447 4.862 0 40 GJAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccccc2)cc1C 408738423 SEXLXEPPPJRZMG-QFIPXVFZSA-N 388.467 4.642 0 40 GJAB CSc1ccc([C@@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1 408975146 IJLRRVPVGPYGIU-HNNXBMFYSA-N 385.539 4.844 0 40 GJAB C[C@H](c1nnc(-c2ccccc2F)s1)N1CCCN(Cc2ccccc2)CC1 513965659 CNGRBMZVWWIKKK-QGZVFWFLSA-N 396.535 4.613 0 40 GJAB Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(OC(C)C)c(Cl)c2)cn1 585081463 SHBADWBHKTWTLU-HNNXBMFYSA-N 384.911 4.867 0 40 GJAB O=C(Nc1cccc(OCCF)c1)N1CCC2(C=Cc3ccccc3O2)CC1 585100320 QEIWSDMPDWZETA-UHFFFAOYSA-N 382.435 4.507 0 40 GJAB O=C(Nc1ncc(C2CCNCC2)s1)c1cc(C(F)(F)F)ccc1Cl 638328086 DHYVMQDHUKKMBN-UHFFFAOYSA-N 389.830 4.535 0 40 GJAB C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1cccc(C(F)(F)F)c1 1565552786 XFLYUJVDRLTUJC-XPGWFJOJSA-N 388.433 4.642 0 40 GJAB COc1ccc(C(=O)[C@H](C)OC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 644547 HHUGCPCECLCZPG-HNNXBMFYSA-N 389.451 4.550 0 40 GJAB Cc1cc(C)c2[nH]c(=O)c(-c3nc4c(C)cccn4c3NCc3ccco3)cc2c1 1330132 VOIOHFFMZRHMNZ-UHFFFAOYSA-N 398.466 4.973 0 40 GJAB Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2ccccc2Cl)s1 1342202 MGUXWEQKDHMWDH-UHFFFAOYSA-N 390.936 4.806 0 40 GJAB COc1ccc(C)cc1NC(=O)c1sc2nc3ccc(C)cc3cc2c1N 1342742 VNAPBLYBSMQNBI-UHFFFAOYSA-N 377.469 4.909 0 40 GJAB CCCCc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 1909293 ARFSHJQOCZNESF-UHFFFAOYSA-N 392.499 4.824 0 40 GJAB Cc1nc(SCC(=O)N2CCCc3ccccc32)c2oc3ccccc3c2n1 2418120 WTUOQLDPMLZYGH-UHFFFAOYSA-N 389.480 4.756 0 40 GJAB Cc1nn2c(C(F)(F)Cl)cc(-c3ccc(F)cc3)nc2c1Br 2786486 IXXFUNIFLMLAMC-UHFFFAOYSA-N 390.590 4.894 0 40 GJAB CCN(CC)CCCCCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 4016223 HORSISHBTRHTSG-UHFFFAOYSA-N 381.520 4.780 0 40 GJAB COc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)cc1C 4075761 LFDOPAFWQLGQCE-UHFFFAOYSA-N 388.876 4.798 0 40 GJAB CCOc1cccc2c1OC1(CCC(C)CC1)N1N=C(c3cccnc3)C[C@H]21 4715949 SKRUSHYXAWGBNU-VRVFXRSRSA-N 377.488 4.930 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccc(F)cc2)cs1 4943253 UENBMRFRTAQHBP-UHFFFAOYSA-N 384.461 4.556 0 40 GJAB C[C@@H]1c2cc3c(cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1)OCCCO3 5422881 GHIZUYJHKPEILN-CYBMUJFWSA-N 391.389 4.626 0 40 GJAB Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4ccc(Cl)cc4)nnc3c2c1 5577830 ABINQECDUFRZKZ-UHFFFAOYSA-N 397.891 4.507 0 40 GJAB Cc1noc(C)c1CSCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 5937758 MVGNQQJKYLYKHF-UHFFFAOYSA-N 393.921 4.940 0 40 GJAB O=S(=O)(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1ccccc1 6132036 JKQZNXPCQORVRZ-UHFFFAOYSA-N 381.482 4.515 0 40 GJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(OC(F)(F)F)cc1 6602462 WBWNNYBGEFWGPB-UHFFFAOYSA-N 378.375 4.890 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c(Cl)c1 6613407 XZVOLCAYSDFHIB-UHFFFAOYSA-N 387.936 4.766 0 40 GJAB COc1ccc2c(C)cc3nnc(SCCOc4ccccc4F)n3c2c1 6623571 GLFMOJLMXYTCTM-UHFFFAOYSA-N 383.448 4.510 0 40 GJAB CCOc1ncccc1C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C 6781419 MLQXCEPFBQTHHG-UHFFFAOYSA-N 390.468 4.713 0 40 GJAB Cc1ccc2c(CC(=O)OCC(=O)c3ccc(Br)s3)coc2c1 7430397 TUCRLNWVIQBFOC-UHFFFAOYSA-N 393.258 4.534 0 40 GJAB Cc1ccc(Cn2nccc2NC(=O)COc2ccc(Cl)cc2Cl)cc1 7696840 UIYAJYJSKYVXLZ-UHFFFAOYSA-N 390.270 4.564 0 40 GJAB O=C(COc1ccccc1-c1ccccc1)NCCSCc1ccsc1 7696938 MVODUNDESLPETM-UHFFFAOYSA-N 383.538 4.844 0 40 GJAB C[C@@H](NC(=O)c1ccccc1COc1ccccc1)c1ccc(-n2ccnc2)cc1 7737094 JXLSUHXNKKZAAK-LJQANCHMSA-N 397.478 4.942 0 40 GJAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccccc4C#N)C3=O)c[nH]c12 8088009 WGCPXJQCFPVNMN-GRSHGNNSSA-N 387.464 4.838 0 40 GJAB Cc1ccc(C(=O)Nc2cccc([C@@H]3Nc4ccccc4C(=O)N3C3CC3)c2)cc1 8704820 OHTFLBYOYKJMAJ-HSZRJFAPSA-N 397.478 4.976 0 40 GJAB Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)c1 9625627 OOSJFRPYYBZPOP-UHFFFAOYSA-N 398.463 4.724 0 40 GJAB CCc1cccc(C)c1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 10140141 XKPHWQUSCGWZHW-UHFFFAOYSA-N 375.516 4.857 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1c(-c2ccccc2)nc2sccn12 12627229 LSUMWVFGGMRAGM-UHFFFAOYSA-N 383.860 4.977 0 40 GJAB COc1ccccc1NC(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C(C)(C)C 12654132 WZISXDYDAFQCGA-UHFFFAOYSA-N 394.475 4.886 0 40 GJAB O=C(Nc1ccccc1)c1ccccc1OCc1noc(-c2cccs2)n1 12949512 CQVGHJYHMJBTRA-UHFFFAOYSA-N 377.425 4.629 0 40 GJAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)c1ccc(F)cc1 13070488 WHRURDKPFGGIRA-MQVJKMGUSA-N 394.533 4.554 0 40 GJAB C[C@H](Nc1nc(-c2cccnc2)nc2ccccc12)c1ccc2c(c1)OCCO2 14077571 ALISWQVMAQJIRY-HNNXBMFYSA-N 384.439 4.636 0 40 GJAB CC1CCC(N(C)C(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 14077841 ANTQZMYOOXJSEG-LXPRWKDFSA-N 385.577 4.513 0 40 GJAB COc1ccc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(OC)c1 14084058 SVPKZTUEZARJLQ-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N[C@H](CC(C)C)c2ccccc2)c1 14198853 WCOLQSBUANMVPL-LJQANCHMSA-N 394.544 4.820 0 40 GJAB O=C(NCCSc1ccccc1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 14201214 GOQNXTGBKXNGMS-MQVJKMGUSA-N 379.616 4.507 0 40 GJAB C[C@@H](NC(=O)c1ccc(Br)s1)c1ccccc1Br 14425839 KDDVINYCNJYBEN-MRVPVSSYSA-N 389.112 4.764 0 40 GJAB CC(=O)c1ccccc1OC(=O)c1cc(Br)ccc1OC(C)C 14783267 SFCJMJIGYOJRBU-UHFFFAOYSA-N 377.234 4.658 0 40 GJAB CC(C)CCn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 16903826 PVXXMUDBFLOAAX-SFHVURJKSA-N 379.479 4.738 0 40 GJAB Cc1cc(O)nc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1 18088136 RTXFAMSFKYMVDN-UHFFFAOYSA-N 395.871 4.804 0 40 GJAB O=C(NCc1ccc(F)cc1)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 19926627 XWOYUMRZBZZJHO-FQEVSTJZSA-N 391.471 4.852 0 40 GJAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(Cc1ccccc1F)C3 20403835 RDMRKCCBHCTXGJ-UHFFFAOYSA-N 399.849 4.816 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2cccnc2)no1 22462124 PNTVNEUAUFRIDJ-UHFFFAOYSA-N 390.830 4.633 0 40 GJAB Cc1sc2nc(CN(C)Cc3ccc(Cl)cc3Cl)nc(N)c2c1C 24839983 VNOGNUKVJMYCGB-UHFFFAOYSA-N 381.332 4.829 0 40 GJAB Cc1nn(CCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1Br 28237338 KMHRHFWUPAYAQH-UHFFFAOYSA-N 391.096 4.598 0 40 GJAB O=C(CCc1nc2ccccc2o1)N1CCC[C@@H]1c1nc2ccccc2s1 31390135 JANRDYKAMALOAA-MRXNPFEDSA-N 377.469 4.734 0 40 GJAB C[C@@](CC(=O)NC[C@H]1CCCO1)(c1cccc(C(F)(F)F)c1)c1cccs1 32093653 ZZCOGOSZHFZQDJ-VQIMIIECSA-N 397.462 4.758 0 40 GJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1cccc(OC(C)C)c1)CC(O)=N2 32093771 OLSSVEUHUDSLPD-OAHLLOKOSA-N 397.866 4.535 0 40 GJAB COc1cccc2sc(NC(=O)CCCc3nc4ccccc4s3)nc12 32719632 ZOFJPCIWNQQXMA-UHFFFAOYSA-N 383.498 4.876 0 40 GJAB COc1ccc(COC(=O)c2ccccc2N(C)C(=O)c2cccs2)cc1F 32883932 RYJGRMKQXLNNTG-UHFFFAOYSA-N 399.443 4.529 0 40 GJAB C[C@@](Cc1nc2ccccc2s1)(C(=O)NCc1ccccn1)c1ccccc1 32901478 MIWJJGPHAJUYFD-QHCPKHFHSA-N 387.508 4.508 0 40 GJAB CCOc1ccc(/C=C2\SC(=O)N(CNc3ccccc3)C2=O)cc1OCC 33348745 YZNWBBJBTAFQCP-UYRXBGFRSA-N 398.484 4.590 0 40 GJAB CCn1ccc(-c2cc(C(=O)Nc3cccc4ccccc34)c3c(C)noc3n2)n1 36618023 QIIRKZPAHIGVOO-UHFFFAOYSA-N 397.438 4.820 0 40 GJAB CC(=O)Nc1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1 39977916 QXEMPMUKLJMMNC-UHFFFAOYSA-N 395.842 4.950 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@H](c1ccccc1)c1ccccn1 40134791 XOZLFYDLXAHMJZ-JOCHJYFZSA-N 383.451 4.907 0 40 GJAB COc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 40485288 RAEMQLCXNQGYCV-JOCHJYFZSA-N 389.426 4.887 0 40 GJAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)Nc1cccnc1 53251070 AGHQVWPPADFEML-UHFFFAOYSA-N 397.500 4.785 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)CN1CCC(c2nc3ccccc3o2)CC1 57872563 NQIZCALCSRWMLV-UHFFFAOYSA-N 383.879 4.608 0 40 GJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 59321196 YHXUPDYVULZQCE-KRWDZBQOSA-N 384.476 4.562 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1Cl 65538120 QCTVWDVZHNYKFE-SNVBAGLBSA-N 378.910 4.831 0 40 GJAB COC(=O)CCN(Cc1csc(C2CCCC2)n1)Cc1cccc(F)c1F 72305044 JFERENLMTWCDOO-UHFFFAOYSA-N 394.487 4.644 0 40 GJAB CC(C)(CNC(=O)CSCc1coc(-c2ccccc2)n1)c1ccccc1F 84326066 QEKAZMKBXCWBHP-UHFFFAOYSA-N 398.503 4.808 0 40 GJAB Cn1c(C2CC2)nc2cc(NC(=O)c3ccc(CSC(F)F)o3)ccc21 89745629 ZJGUEBVTTLRCNC-UHFFFAOYSA-N 377.416 4.752 0 40 GJAB O=C(Nc1ccc(F)cc1F)[C@H](c1ccc(Br)cc1)N1CCCC1 95411149 RGPVSRDTAPJBPJ-KRWDZBQOSA-N 395.247 4.503 0 40 GJAB COc1ccc(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)cc1 96038176 GSAWPCASDSWLOX-UHFFFAOYSA-N 398.510 4.785 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)c2ccccc23)o1 96052530 IDIMVKISMPKCOH-UHFFFAOYSA-N 386.495 4.669 0 40 GJAB O=C(Cc1cc(F)c(F)cc1F)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96231948 LWNURFSJDGMABW-SFHVURJKSA-N 392.808 4.975 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@]23CC[C@](C)(c4nc5ccccc5nc42)C3(C)C)c1 100641873 MAMCMNZFJJCLMK-JWQCQUIFSA-N 399.494 4.800 0 40 GJAB CCc1sc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2CC[C@H]3C2=C(C)C)nc1-c1ccccc1 102626106 SJECLOIEXPEKND-LNMJFAINSA-N 392.524 4.854 0 40 GJAB Cc1c(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c2ccccc2n1C 106697946 LBEPGKPVRZTHKT-ODLFYWEKSA-N 380.444 4.862 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccc(C)c(C)c1 223208652 FDRKJRNUJZPQKC-YADARESESA-N 395.543 4.923 0 40 GJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1C(C)(C)C 223712770 WVYHPJMOTVSHOT-OAHLLOKOSA-N 375.896 4.600 0 40 GJAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(Br)cn1 223970726 FRNQKZNZMUXCDT-UHFFFAOYSA-N 390.350 4.643 0 40 GJAB CCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 408749113 DOGJAPYKCHXRNW-SYWGBEHUSA-N 384.526 4.500 0 40 GJAB C[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)[C@H]1OCCc2sccc21 569013526 DVVGCHWGIZCOJM-LAJNKCICSA-N 396.487 4.745 0 40 GJAB COCc1c(C(=O)N(C(C)C)[C@H]2CCCc3cccnc32)oc2ccccc12 585080031 YDWUBCNWYVPFNV-IBGZPJMESA-N 378.472 4.902 0 40 GJAB CCCCC(=O)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262905 OPCGUQZHNGYWCE-MRXNPFEDSA-N 396.922 4.946 0 40 GJAB CC(=O)N1CCCCCCCCN(C(=O)c2cccnc2C)Cc2ccccc21 643569335 CSUXWECRUYNNHH-UHFFFAOYSA-N 393.531 4.740 0 40 GJAB O=C(Nc1ccnc(Oc2ccccc2Br)c1)N1CC[C@@H]2C[C@H]2C1 666172269 XVXOJCLXCNQSGI-OLZOCXBDSA-N 388.265 4.510 0 40 GJAB Cc1ccc(NCc2cnn3c2CCC3)cc1Oc1ncccc1Br 668088843 HXXMVFBDSMOOHV-UHFFFAOYSA-N 399.292 4.700 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccc(F)c4)oc3c2)cc1 722847 SGSWPASFNNSANG-UHFFFAOYSA-N 382.416 4.743 0 40 GJAB CCc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1 752707 BFEJPJQXAUWNQH-UHFFFAOYSA-N 397.496 4.951 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1C 1364556 HLLFJMQBQPPCFZ-UHFFFAOYSA-N 392.528 4.551 0 40 GJAB O=C(Nc1cccc(Cl)c1)c1cccc(C(=O)Nc2cccc(Cl)c2)n1 1504997 CGUBUIXTCBGHBU-UHFFFAOYSA-N 386.238 4.893 0 40 GJAB CSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCC[C@H]4C 2228561 ZNPAJPUULYQYQI-GFCCVEGCSA-N 396.541 4.565 0 40 GJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1c1nccs1 2424282 GOLCANJEDSPJRR-INIZCTEOSA-N 394.839 4.653 0 40 GJAB CCOC(=O)c1c(NC(=O)CSCc2ccccc2)sc2c1CCCC2 3140195 KECURHBMXTYQHT-UHFFFAOYSA-N 389.542 4.676 0 40 GJAB CCCCCn1nc(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2c1=O 3328382 ZYUOSQATYBJPEY-UHFFFAOYSA-N 383.879 4.801 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)OCc2nc3ccccc3s2)cc1 3599308 JWNQBNKIFRDLKZ-UHFFFAOYSA-N 394.452 4.837 0 40 GJAB CC(C)(C)C(=O)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1 4078232 NZIQHPZNYCTZDI-UHFFFAOYSA-N 375.441 4.834 0 40 GJAB CC1CCC(N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)CC1 4745305 BWGQRHGLILPDNB-SDPJGKNGSA-N 382.592 4.758 0 40 GJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)cc1 4854299 IPJRBWTZZFPERU-OAQYLSRUSA-N 379.435 4.663 0 40 GJAB Cc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c1 5099428 CCLWOWCIGYHRKC-UHFFFAOYSA-N 376.481 4.902 0 40 GJAB CCCCN(CCCC)CCCNc1ncnc2c1[nH]c1ccc(OC)cc12 5163230 YJMQKSUDGRKXIX-UHFFFAOYSA-N 383.540 4.824 0 40 GJAB CCc1cccc2c([C@H]3CC(c4ccc(Br)cc4)=NNC3=O)c[nH]c12 5318620 PNMGBCBYCJUWMP-MRXNPFEDSA-N 396.288 4.501 0 40 GJAB Cc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1 5698704 FIZRWVVLLLREKQ-RCCKNPSSSA-N 397.430 4.867 0 40 GJAB Cc1ccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 5798823 WKSVFPQIUUWCRV-UHFFFAOYSA-N 379.451 4.533 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)/C=C/c1ccc2ccccc2n1 6121164 KLEXYBLACDMSAX-VUSFMPOISA-N 384.435 4.852 0 40 GJAB CCOC(=O)C1CCN(C(=O)c2ccc(CSc3ccc(C)cc3)cc2)CC1 6891690 LPQMBALSIYMTDZ-UHFFFAOYSA-N 397.540 4.703 0 40 GJAB COc1ccc(CN(Cc2cccs2)C(=O)/C=C/c2ccc(C)o2)cc1OC 7777669 ITKNCGYLFDNWGQ-PKNBQFBNSA-N 397.496 4.909 0 40 GJAB O=C(CCc1ccco1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 7784288 BBAXICAJCICJAP-XBXARRHUSA-N 389.451 4.730 0 40 GJAB NC(=O)c1ccc(Oc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 7980681 WDBCVLLEVXVYJN-UHFFFAOYSA-N 381.844 4.903 0 40 GJAB O=C(CN1CCCSc2ccccc21)Nc1ccc(N2CCCCC2)cc1 8191541 NOXKPGIGCQABJL-UHFFFAOYSA-N 381.545 4.618 0 40 GJAB O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)NCc1ccco1 8722822 YQNPZDIEFOWTTR-UHFFFAOYSA-N 384.435 4.544 0 40 GJAB CCC(=O)N([C@@H](c1ccccc1)c1ccc(OC)cc1)[C@@H]1CCOC(C)(C)C1 9481488 OAXFOJNYTWODFB-OFNKIYASSA-N 381.516 4.981 0 40 GJAB O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(Cl)cc1Cl 9614966 SRSKMKXLFJFKTC-UHFFFAOYSA-N 379.268 4.942 0 40 GJAB O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 11585888 DYJNUNVSRFOURI-INIZCTEOSA-N 390.270 4.612 0 40 GJAB CCOc1cc(Nc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)nc(C)n1 11613277 UTXZTPZEWCXPGE-UHFFFAOYSA-N 393.447 4.580 0 40 GJAB CC(C)Nc1nn(CN(C)Cc2ccccc2N2CCCCC2)c(=S)s1 12549297 KCAYGIUSEKDUEH-UHFFFAOYSA-N 391.610 4.574 0 40 GJAB O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2Cl)N1C[C@H]1CCCO1 12561366 CUNBTPZMVIMVTF-KZULUSFZSA-N 377.271 4.739 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCc3nc(N)c4ccccc4n3)c2n1 12606769 GFTSWGCSSVJFQQ-UHFFFAOYSA-N 385.254 4.954 0 40 GJAB CC(C)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 12759786 JAUJIPDYRKXJMH-QNGOZBTKSA-N 399.454 4.693 0 40 GJAB CC[C@@H]1CN=C(N(C(=O)c2cc(F)cc(F)c2)c2ccc(C(C)=O)cc2)S1 12776584 UXVCFEKEEQLULG-GOSISDBHSA-N 388.439 4.696 0 40 GJAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 12824066 FSECITYUVDCIJD-LBPRGKRZSA-N 383.391 4.833 0 40 GJAB CC(C)c1noc([C@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 12928501 BIDRMQWRNZZBCO-LBPRGKRZSA-N 398.513 4.807 0 40 GJAB CC[C@H](CO)Nc1nc(CSc2ccccc2)nc2sc3c(c12)CCC3 14250585 OQPKFLUGHIBUKY-CYBMUJFWSA-N 385.558 4.655 0 40 GJAB O=C(/C=C/c1cc(F)cc2c1OCOC2)Nc1ccccc1Cc1ccccc1 16706228 OVGVZVQAYSKEFC-ZHACJKMWSA-N 389.426 4.935 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2-c2ccccc2)c(C)c1 17792804 RQCYFONILAQELA-UHFFFAOYSA-N 386.495 4.990 0 40 GJAB CC(=O)Nc1cccc(NC(=O)CCc2sc(C)nc2-c2cccs2)c1 19819520 WHRDKDZLRHOLIZ-UHFFFAOYSA-N 385.514 4.710 0 40 GJAB COc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CC(C)(C)C3)cc1 20796694 FCNPWMSUJALCDR-UHFFFAOYSA-N 379.435 4.919 0 40 GJAB CCOc1ccc([C@H]2CCCN2C(=O)c2sc(-c3ccccn3)nc2C)cc1 21709796 CLOVSWUMCUFGRT-LJQANCHMSA-N 393.512 4.890 0 40 GJAB O=C(c1ccccc1Nc1ccc(F)cc1)N1CCN(Cc2cccs2)CC1 23735151 IZBBRWPWLWFSBG-UHFFFAOYSA-N 395.503 4.589 0 40 GJAB O=C(CCOc1ccccc1-c1ccccc1)NCc1cnn(-c2ccccc2)c1 25086100 JJUFYFZWMBLIQX-UHFFFAOYSA-N 397.478 4.625 0 40 GJAB COc1ccc(N(Cc2ccco2)C(=O)c2ccccc2Br)cc1 27795684 DBKCHQCFSPGNQV-UHFFFAOYSA-N 386.245 4.898 0 40 GJAB Cc1c(C(=O)N[C@@H](C)C(c2ccccc2)c2ccccc2)[nH]c2c1C(=O)CCC2 31383249 FXRRKUHOHTVMEA-KRWDZBQOSA-N 386.495 4.793 0 40 GJAB C[C@H](OCCCNC(=O)NCCCO[C@H](C)c1ccccc1)c1ccccc1 32907654 ZNOXLOLWWIDKFK-BGYRXZFFSA-N 384.520 4.621 0 40 GJAB C[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2ccccc2[nH]1 40157408 MRZJWJXFKOKPMN-LBPRGKRZSA-N 388.452 4.924 0 40 GJAB Cc1cccn2cc(CC(=O)N(C)[C@H](C)c3ccc(Cl)cc3Cl)nc12 58166316 IPDWMZSBZHRKEW-CYBMUJFWSA-N 376.287 4.712 0 40 GJAB O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 65522264 VMLSTOQCZJXKAV-UHFFFAOYSA-N 385.678 4.710 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CN(C)c3nc4ccccc4s3)c2)cs1 70640862 ZLBZEJCJLBWCQR-UHFFFAOYSA-N 394.525 4.803 0 40 GJAB O=C(CSC1=Nc2ccccc2CS1)Nc1ccc(N2CCCCC2)nc1 71794669 OTDNFLVIKOUHDN-UHFFFAOYSA-N 398.557 4.678 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)CCc2ccccc2)cc1Cl 72329345 FTSSKMKOBBZMKV-OAHLLOKOSA-N 397.906 4.880 0 40 GJAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccccc2Br)C1 72406395 MRHDRFCVWHGGDR-CYBMUJFWSA-N 388.290 4.879 0 40 GJAB CC(=O)Nc1sc2c(c1C(=O)OCc1cc(F)cc3cccnc13)CCCC2 84774033 HIYMXZYTZXLMTE-UHFFFAOYSA-N 398.459 4.630 0 40 GJAB COc1ccccc1[C@@H]1SCC(O)=Nc2c1c(=O)[nH]n2C1CCCCCC1 95479943 YSGAYUSNSSWTNW-SFHVURJKSA-N 387.505 4.505 0 40 GJAB O=C(CCCc1cc(Cl)sc1Cl)N1CCC([C@H]2CCCO2)CC1 97104278 FKLDVNRWJNLDNY-CQSZACIVSA-N 376.349 4.795 0 40 GJAB Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1 106368475 OGBHTHYIHLLJPX-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C 222780886 RKGBUAQWWSBRLI-LEWJYISDSA-N 382.577 4.998 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 222899542 OGVDPADKHBAMGE-SFTDATJTSA-N 397.515 4.834 0 40 GJAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccccc1 224083815 IHFCZAOZJQSCGR-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB CCCCOCc1cc(C(=O)Nc2ccc(OC)cc2OC)ccc1OCC 224728377 HNWZYXXOGIEUNR-UHFFFAOYSA-N 387.476 4.672 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Cl)cc1)CC(C)(C)O2 225681213 RUSRTMUUIDJRKU-MRXNPFEDSA-N 376.909 4.937 0 40 GJAB O=C(c1ccccc1Cl)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408606626 JIFUWSRBGVTBHL-UHFFFAOYSA-N 382.935 4.858 0 40 GJAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)c(C(F)(F)F)c1 507150455 WDQWNIBGDYZQTM-UHFFFAOYSA-N 396.315 4.611 0 40 GJAB O[C@@H]1[C@@H](NCc2cccc(C(F)(F)F)c2)CCC[C@H]1Oc1cccc(Cl)c1 585289609 SHWACYZRSAQWND-IPMKNSEASA-N 399.840 4.809 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 951441 ZNMXHIWQJWIGMA-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccccc3CC)c2c1 952862 QVPFBRDQAHGHHL-UHFFFAOYSA-N 392.455 4.894 0 40 GJAB COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 1006628 OPSJLDRMXNEPEK-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nc1ccc(Cl)cc1Cl 2148808 JNSQLNCLKPAQRY-UHFFFAOYSA-N 393.057 4.966 0 40 GJAB Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)OC(C1CC1)=N2 3198958 JHPQLZYPHIIAQT-UHFFFAOYSA-N 389.299 4.971 0 40 GJAB O=C(Nc1nccs1)c1ccccc1OCc1cccc(Br)c1 3549646 CVABODKDZLLBLD-UHFFFAOYSA-N 389.274 4.737 0 40 GJAB CN(C)CCN(C(=O)c1cccc(Cl)c1)c1nc2c(Cl)cccc2s1 4359305 XCGZQDXXKZRSPP-UHFFFAOYSA-N 394.327 4.812 0 40 GJAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 4588326 UWUHAWTXBWUHOE-HNNXBMFYSA-N 395.503 4.929 0 40 GJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 4735670 VQVMTVSAJOKHDW-QFIPXVFZSA-N 396.450 4.670 0 40 GJAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@H]2c1cccc(OC)c1OC 4788989 VQIZEMZOHPZSDU-GHNFSYLKSA-N 384.472 4.867 0 40 GJAB CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)[C@@H]1[C@@H](C)[C@@H](C)CC[C@H]1C 5047943 KGSXORVANNQUIT-GGQGVQAJSA-N 381.601 4.501 0 40 GJAB Cc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)c(C)c1 5477708 VGCOJZDILIMIKM-UHFFFAOYSA-N 375.468 4.954 0 40 GJAB CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(Cl)ccc1Cl 5484166 MMVVPPFZARNVOZ-UHFFFAOYSA-N 376.243 4.706 0 40 GJAB Cc1ccc(Cl)c(NC(=O)CSc2nncn2-c2ccccc2)c1Cl 5621973 WCCPQQPNRDNXQL-UHFFFAOYSA-N 393.299 4.613 0 40 GJAB COC(=O)c1ccc2nc(NC(=S)NC(C)(C)CC(C)(C)C)sc2c1 6022812 UJCPKNDYVRFVON-UHFFFAOYSA-N 379.551 4.584 0 40 GJAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)cc1 6213064 SUPLCVVLXFWZIZ-DVECYGJZSA-N 390.483 4.563 0 40 GJAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccccc1OCc1ccc(F)cc1 6553138 GEUGHITUAHZQON-UHFFFAOYSA-N 393.414 4.818 0 40 GJAB Cn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1 6788684 VXAYEZNWZKIWLJ-UHFFFAOYSA-N 382.876 4.592 0 40 GJAB Cc1ccc(C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)s1 6846695 BCVZCRVHUORVAP-SFHVURJKSA-N 393.508 4.831 0 40 GJAB Cc1nc(NC[C@H](c2ccccc2Cl)N(C)C)c2c3c(sc2n1)CCC3 6881421 MBIKCHBKZPOIEK-MRXNPFEDSA-N 386.952 4.857 0 40 GJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc2c(c1)OCO2 7640776 AIJUMQJSFVCKAF-QGZVFWFLSA-N 388.467 4.541 0 40 GJAB CN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1nc2ccccc2s1 7688901 MWHWPISZRXRQBB-UHFFFAOYSA-N 380.300 4.674 0 40 GJAB CCN(CC)c1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)cc1 8070756 ZLUWYXOKTQIVDW-HNNXBMFYSA-N 395.459 4.509 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1 8162270 LOGNUUMRTOXEDL-LJQANCHMSA-N 391.467 4.859 0 40 GJAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 8213903 KTOZHHPBJDYJGV-KRWDZBQOSA-N 393.556 4.695 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nccn2-c2ccc(C)cc2C)cc1 8424690 IOVYJQLIVCAPED-QGZVFWFLSA-N 393.512 4.811 0 40 GJAB CC1CCN(c2nnc(SCc3ccc(F)cc3Cl)n2C2CC2)CC1 11423545 PMLQQSQYVONLEG-UHFFFAOYSA-N 380.920 4.934 0 40 GJAB CCn1ncc2c(C(=O)Nc3cc(F)ccc3C)cc(-c3cccs3)nc21 11425780 HCHZDTXZWLZEFC-UHFFFAOYSA-N 380.448 4.880 0 40 GJAB C[C@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)Nc1ccc(C(F)(F)F)cc1 12103930 DJTXNEIPPHOUPB-JTQLQIEISA-N 384.427 4.600 0 40 GJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N(Cc1ccccc1)C1CC1 12990086 HSPWMDMJFQPTMV-UHFFFAOYSA-N 399.903 4.673 0 40 GJAB COc1cc(C(=O)Nc2nc3c(s2)CCC3)cc(Cl)c1OCC(C)C 13003214 FBHWXFPLAVBKBM-UHFFFAOYSA-N 380.897 4.581 0 40 GJAB O=C(CN[C@H](Cc1ccccc1)c1ccccc1)N[C@@H]1CCCc2ccccc21 14633068 UXBZGSQKZIHODG-JWQCQUIFSA-N 384.523 4.754 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2C)cc1OCCC 16806647 QLUXZRQABNVLRM-UHFFFAOYSA-N 395.459 4.875 0 40 GJAB COc1ccc(-c2cc3c(SCc4cccc(OC)c4)nccn3n2)cc1 16842581 NFKACERRFJYXTF-UHFFFAOYSA-N 377.469 4.706 0 40 GJAB Cc1ccc(-c2csc(NC(=O)Cn3cc(C=O)c4ccccc43)n2)cc1 17076796 QKRBSHCBPCUVRV-UHFFFAOYSA-N 375.453 4.524 0 40 GJAB Cn1nc([C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)c2cccnc21 19289484 HGYWDJNGHOIFOL-AWEZNQCLSA-N 375.303 4.655 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccccc1Cl 20493587 YNMDYAASMCEKAM-LJQANCHMSA-N 377.937 4.855 0 40 GJAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)C)cc3n2)c(C)c1 20611072 JFBMVBLRYPIFEU-UHFFFAOYSA-N 393.535 4.868 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(F)cc3)n2)cc1 20899979 FLVKXSDGGXCQJB-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB CCCCOc1ccc(C(=O)NCc2csc(-c3ccc(OC)cc3)n2)cc1 21785870 UYBVURMHHWNZPQ-UHFFFAOYSA-N 396.512 4.928 0 40 GJAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc(Cl)cc3Cl)c12 25469691 GGJGVSZNJOKPSY-UHFFFAOYSA-N 377.275 4.959 0 40 GJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 26295632 ZTFCLPNPYSPQIJ-KBPBESRZSA-N 382.348 4.968 0 40 GJAB Cc1nc2ccccc2nc1SCC(=O)N(C)[C@H]1CCCc2ccccc21 28191280 JYRMHWCRISAIQB-FQEVSTJZSA-N 377.513 4.566 0 40 GJAB Cc1ccc(CSCC(=O)NCc2ccccc2CN2CCCCC2)cc1 30551978 AKOVVTLPJGOJPS-UHFFFAOYSA-N 382.573 4.531 0 40 GJAB CN(C(=O)/C=C/c1ccc(OCc2cccnc2)cc1)[C@H]1CCc2ccccc21 32320933 GQUFKLVXILYMMK-RLMNYEENSA-N 384.479 4.820 0 40 GJAB CC(C)c1ccc(CNC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 32578930 GVZPFTYSPFKTEW-UHFFFAOYSA-N 393.487 4.679 0 40 GJAB Cc1c(C(=O)Nc2cnn(Cc3ccccc3F)c2)n(C)c2ccc(Cl)cc12 35322754 VMYSOXCYQNKTSU-UHFFFAOYSA-N 396.853 4.776 0 40 GJAB O=C(NCC1(c2ccccc2)CCC1)c1cccnc1Nc1cccc(F)c1 45042011 ATMPMFYLWIXJNT-UHFFFAOYSA-N 375.447 4.816 0 40 GJAB Cc1nc2c(cc(OCC(=O)N(C)Cc3ccc(O)cc3)c3ccsc32)s1 52963819 RPNFHNMNHPIKHV-UHFFFAOYSA-N 398.509 4.562 0 40 GJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1c(F)cccc1Cl)C3 61997658 CXUCZPVIVBTHCN-UHFFFAOYSA-N 387.838 4.863 0 40 GJAB biogenic CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1c(C)noc1C 71195094 KCBDBAIABYYNON-UHFFFAOYSA-N 384.457 4.757 0 40 GJAB Cc1oc(-c2cccs2)nc1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 84052959 JEDDPSUJSSURTG-CRAIPNDOSA-N 386.448 4.501 0 40 GJAB C[C@H]1c2[nH]c3ccccc3c2CCN1C[C@H](O)c1ccc(OC(F)(F)F)cc1 84718151 MTLCJTGEUVTNQR-DJJJIMSYSA-N 390.405 4.719 0 40 GJAB FC(F)(F)c1cc(N2CCC[C@H](c3nnc4ccccn34)C2)c2ccccc2n1 89866627 UBQDGFAEXNRRTO-AWEZNQCLSA-N 397.404 4.680 0 40 GJAB O=C(Nc1cccnc1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96155431 LIFFLYOYQDPNRL-UHFFFAOYSA-N 397.413 4.578 0 40 GJAB C[C@H]1CCCN1C(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96155438 ZRVHQLIWAZNDAV-INIZCTEOSA-N 388.446 4.556 0 40 GJAB COc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)cc1OC(C)C 100765785 JSIMKAWAIIRDNQ-NHCUHLMSSA-N 399.506 4.636 0 40 GJAB CCOc1ccccc1[C@H]1C2=C(O)C[C@H](c3ccccc3)CC2=Nc2ncnn21 102591647 JPURMFOAEPRBKD-ZHRRBRCNSA-N 386.455 4.742 0 40 GJAB C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 104725775 LONUFQNZKLVHEF-WFGGJUAMSA-N 395.400 4.585 0 40 GJAB CCOc1cc(C(=O)Nc2cccc(C)c2)cc(Br)c1OCC 107759610 PCFDQGNJMYUODM-UHFFFAOYSA-N 378.266 4.807 0 40 GJAB CC(C)c1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 218963745 BMIXXIYHFJNFIH-UHFFFAOYSA-N 399.878 4.551 0 40 GJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2ccccc2Cl)no1 219300385 HKDDVBNTTPTLBZ-AWEZNQCLSA-N 399.878 4.597 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 222972674 NHGJUWNNZRBSGZ-MOPGFXCFSA-N 385.504 4.746 0 40 GJAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1C(C)C 223304108 RNLGKEBOHRPGCT-AWEZNQCLSA-N 381.925 4.820 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCCCCC2)cc1 223798741 JNPLGFMCYUDJOS-UHFFFAOYSA-N 394.559 4.995 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)cc1 224623957 FAEVMXLPSKGXGN-HXUWFJFHSA-N 375.896 4.645 0 40 GJAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(F)cc1 224917901 SCPSCMFLAPSRLM-UHFFFAOYSA-N 381.778 4.713 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 225051180 UYEVGQGTPQFZEW-KRWDZBQOSA-N 382.504 4.664 0 40 GJAB O=C(NC(=S)NC1CCCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 408619144 GGSARFGOPHLERZ-UHFFFAOYSA-N 383.300 4.800 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 408708573 QNVNSIBNRPQOKC-HDYDNRTBSA-N 384.564 4.768 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 553038093 RJOXLEGNHCCZBK-OYHZZYGJSA-N 397.518 4.974 0 40 GJAB COc1cccc(-c2cccc([C@H]3C[C@@H](NC(C)=O)[C@@H]4CCCC[C@H]4O3)c2)c1 585261188 VHRGVDMMDKXSHX-OLKYXYMISA-N 379.500 4.887 0 40 GJAB O=C(CCc1cccc(Cl)c1)NC[C@@H](O)c1ccc(-c2cccs2)s1 618256386 RLSHQSHALVEDBM-OAHLLOKOSA-N 391.945 4.912 0 40 GJAB Cc1cccc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)c1 1036872 ZMQXEZQWUUJWPB-UHFFFAOYSA-N 376.300 4.658 0 40 GJAB CCOc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCCC2)cc1 1224443 PJZKCHIGQOJHFC-UHFFFAOYSA-N 391.467 4.777 0 40 GJAB COc1cccc(CC(=O)N(CC(C)C)c2nnc(-c3ccccc3C)s2)c1 1345365 UZONHGSPNHRNKQ-UHFFFAOYSA-N 395.528 4.754 0 40 GJAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)N1c1ccccc1 2087640 NSQNBXBJKYAZOR-GMAHTHKFSA-N 393.446 4.651 0 40 GJAB biogenic CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(C)cc3)c(C)c2oc1=O 2148997 ZXSNNWGDFUTBRP-UHFFFAOYSA-N 394.467 4.793 0 40 GJAB biogenic O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(N3CCc4ccccc43)ncc21 2405307 WZISPANGNCHOIH-MRXNPFEDSA-N 375.859 4.737 0 40 GJAB CCOc1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1 4070199 WNFHFWVSEQNLLD-UHFFFAOYSA-N 383.292 4.771 0 40 GJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C(F)(F)F)cc1 4162624 QVIJZZWDNFIAON-UHFFFAOYSA-N 377.318 4.881 0 40 GJAB COc1ccc2oc(-c3cccc(NC(=O)c4cccnc4Cl)c3)nc2c1 4822330 JNUKLDSMVXWPCG-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2c2ccco2)c(C)c1 5451642 HKZSNWWSWQSAQM-QHCPKHFHSA-N 388.467 4.634 0 40 GJAB Cc1cccc(OCCn2c(NC(=O)c3ccc(F)cc3)nc3ccccc32)c1 6025376 UNJKCBRYCXWNIP-UHFFFAOYSA-N 389.430 4.815 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OC(=O)c3cc(=O)[nH]c4ccccc34)c2n1 6154006 HUWRXDROUPKFQV-UHFFFAOYSA-N 399.233 4.911 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 6170695 CNHDXKMKLRMMDI-OQLLNIDSSA-N 389.451 4.935 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(C)c2)cc1 6352395 QWEUXVKVPZQRTC-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1cccc2ccccc12 6548981 SXSIGXBHRXCUHR-UHFFFAOYSA-N 389.524 4.562 0 40 GJAB CCc1ccccc1NC(=O)c1ccccc1SCC(=O)NCc1ccco1 6881908 FWJNYBPWBVMFPA-UHFFFAOYSA-N 394.496 4.503 0 40 GJAB Fc1ccccc1-c1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)o1 7427775 VDHDBXBECVIMQW-UHFFFAOYSA-N 388.811 4.871 0 40 GJAB Cc1ccc(-c2noc(CNC(=O)c3ccc(OCc4ccccc4)cc3)n2)cc1 7781105 PIIRGEJASPUHHO-UHFFFAOYSA-N 399.450 4.554 0 40 GJAB Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)c(Br)cc2C)c1 7940003 AVRRIIHORCDRBG-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1 8061693 LMAQUJLMUFQGIU-UHFFFAOYSA-N 383.250 4.867 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(NCCc3ccccc3)s2)cc1 8853011 PHIFXLPPXZIOKF-HNNXBMFYSA-N 398.557 4.620 0 40 GJAB Cc1cccc(CC(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c1 8959792 UYYBNBPRRGZPMY-UHFFFAOYSA-N 394.515 4.584 0 40 GJAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N1CCc2ccccc2C1 9112197 PGNBVQNOSWIQBZ-UHFFFAOYSA-N 389.480 4.824 0 40 GJAB COc1ccc(-c2c(C)nn3c(=O)c(Cc4cccc(Cl)c4)c(C)[nH]c23)cc1 9935391 OJRHJHCBXBQYNF-UHFFFAOYSA-N 393.874 4.559 0 40 GJAB C[C@@H](NC(=O)NCc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 10464732 JLBXNCXAHPSCNU-GFCCVEGCSA-N 378.350 4.892 0 40 GJAB CCn1c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)nc2ccccc21 10651978 ZCKFWCLXDPPFAH-UHFFFAOYSA-N 380.448 4.656 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nc(C2CC2)nc2ccccc12 10838577 GNZOVNMLLIRCJR-UHFFFAOYSA-N 379.485 4.637 0 40 GJAB COc1cccc(-c2nnc(SCc3ccc(Br)cc3)o2)c1 12178948 DVKBCWNFYJVPFT-UHFFFAOYSA-N 377.263 4.800 0 40 GJAB COc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccnc3)C[C@@H]21 12196208 BOXBACPWKUTOAG-SIKLNZKXSA-N 391.858 4.986 0 40 GJAB CCCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 12419477 XEXJXGUJPRLZFP-UHFFFAOYSA-N 380.853 4.633 0 40 GJAB CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1 12860857 DONGFNJBLZEMCL-NSHDSACASA-N 377.901 4.978 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14022702 OXNQQTZRDHJWCS-JOCHJYFZSA-N 394.515 4.854 0 40 GJAB CCCN(Cc1ccc(OCC(C)C)c(OC)c1)C(=O)c1ccc2[nH]cnc2c1 17961246 JHCLVJJIVRHJHP-UHFFFAOYSA-N 395.503 4.659 0 40 GJAB CNC1CCC2(CC1)CN(Cc1ccc(OC(C)C)cc1)Cc1ccccc1O2 19450690 WMLZXRSOEFPTOS-UHFFFAOYSA-N 394.559 4.769 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](Sc2ccccn2)c2ccccc2)cc1 19926814 BZTJWQWGWGOGRY-HXUWFJFHSA-N 392.480 4.730 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2ccc3nc(C(F)(F)F)sc3c2)c1 20426908 GOBDOGFSRUBGIV-UHFFFAOYSA-N 379.363 4.526 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 21708169 KXMSXWZNBYKDDC-UHFFFAOYSA-N 391.418 4.805 0 40 GJAB O=C(NCCc1ccccc1)c1cccnc1Nc1cccc(Br)c1 22072247 QGBHXMYAEHZJPZ-UHFFFAOYSA-N 396.288 4.560 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1nn(-c2ccccc2)c2c1CCC2 22192649 IYVQODPCTNZUHJ-UHFFFAOYSA-N 387.361 4.512 0 40 GJAB COc1ccc(-c2nc(CCNC(=O)c3ccc(OC(C)C)cc3)cs2)cc1 27994604 JNZPDUFAFQGMMB-UHFFFAOYSA-N 396.512 4.578 0 40 GJAB Cc1ccc2nc(COC(=O)c3cc(-c4ccco4)nc4ccccc34)cn2c1 32823666 LLNWBGDWMCKKLS-UHFFFAOYSA-N 383.407 4.808 0 40 GJAB CC(=O)c1ccc(NC(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)cc1 32932989 DEYAZYRNFXVKIY-UHFFFAOYSA-N 385.876 4.988 0 40 GJAB O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccccc2Cl)CC1 39745047 URDPFURIQHVPSK-UHFFFAOYSA-N 377.315 4.522 0 40 GJAB COc1ccccc1CN(Cc1ncc(-c2ccccc2)o1)C[C@@H]1CCCO1 40105466 QBHAGMKJHPTUGP-FQEVSTJZSA-N 378.472 4.531 0 40 GJAB COc1cccc(C(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)c1 40150147 MIWKEPQSABGZHF-UHFFFAOYSA-N 375.403 4.554 0 40 GJAB CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(C(F)(F)F)cc1 58172011 XJGKIJQMBNMZTJ-UHFFFAOYSA-N 384.785 4.749 0 40 GJAB COCCCn1c(S[C@@H](C)c2cccnc2)nnc1-c1ccccc1Cl 59324745 HCBDJPOEBMXYLW-AWEZNQCLSA-N 388.924 4.883 0 40 GJAB Cc1noc(C)c1CN(C)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 65843683 PJWYCBKCMALTAZ-UHFFFAOYSA-N 396.299 4.994 0 40 GJAB Cc1cccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)c1C 67290202 AQGBNUSIABJPNZ-UHFFFAOYSA-N 394.525 4.805 0 40 GJAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 72356063 RZCOPXCNBHPILT-OAQYLSRUSA-N 389.474 4.535 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccnc3ncc(-c4ccc(F)cc4)n23)C1 72360641 LFXJKDSTPUQMNA-INIZCTEOSA-N 396.466 4.650 0 40 GJAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1c(F)cc(F)cc1F 78949698 HNNMEIKXHCYNQO-UHFFFAOYSA-N 387.357 4.700 0 40 GJAB O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(Cl)cc1Cl 79501253 MTJWNJSMSYMINH-MRXNPFEDSA-N 376.243 4.974 0 40 GJAB COc1ccc2c(c1)s/c(=N/C(=O)CCCSc1ccc(C)cc1)n2C 101116088 ZIZBQJSJHMCQJN-QZQOTICOSA-N 386.542 4.557 0 40 GJAB CC(=O)c1cccc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1 102181434 JFDAJVOUXJDCIF-SNEKZUEESA-N 390.321 4.952 0 40 GJAB COc1cccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1 102751065 XSMSXGUNDRTNOU-XIKOKIGWSA-N 394.456 4.769 0 40 GJAB Cc1cc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1N1CCCC1=O 104739359 UOKJHQZQACXNNY-LKUPVBHCSA-N 386.536 4.538 0 40 GJAB Cc1nc(-c2ccccc2)c(C(=O)NCC2(c3ccccc3)CCOCC2)s1 192682339 ROSYYPSQSMMDHT-UHFFFAOYSA-N 392.524 4.597 0 40 GJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 210807951 AXGRTIFQWAPQMK-TWCBSTONSA-N 392.480 4.616 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 222930215 NFJYNDWBYFEHSO-JTSKRJEESA-N 399.531 4.734 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(Cl)cc1 224454496 OWDFVCLFBNTRQH-HXUWFJFHSA-N 383.875 4.846 0 40 GJAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)c(C)c1 224913662 BQXBQRYYZJOTGE-WOJBJXKFSA-N 380.492 4.528 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 225556012 ODZFUNCESJFMKN-OFNKIYASSA-N 394.559 4.568 0 40 GJAB Cc1cc(C)c(OCC(=O)Nc2c(C)cc(N)cc2Br)c(Cl)c1 227145313 QWWRYPSLEQUUKM-UHFFFAOYSA-N 397.700 4.627 0 40 GJAB CCCCSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 408749112 DOGJAPYKCHXRNW-MWDDYTRKSA-N 384.526 4.500 0 40 GJAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21)c1ccccc1 409368809 NWWLTPBPEXNVKR-VURPSTOHSA-N 375.855 4.735 0 40 GJAB CC(C)c1cccc2c(=O)c(C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)c[nH]c12 524732179 BUSDSPVGPIBYJV-OAQYLSRUSA-N 399.494 4.940 0 40 GJAB biogenic O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 540092536 XYLGJDTXJYYMPJ-VBSBHUPXSA-N 389.417 4.703 0 40 GJAB O=C(Nc1ccc2[nH]ccc2c1)[C@H]([C@@H]1CC=CCC1)N1C(=O)C[C@@H]1c1ccccc1 575443601 VYDFSAOBHSIAFI-XANCMCCPSA-N 399.494 4.805 0 40 GJAB CC(=O)N1c2ccccc2C[C@H]1c1nc(C(C)(C)c2ccc(Cl)cc2)no1 585084370 RHOAVOYFEBYNDE-SFHVURJKSA-N 381.863 4.699 0 40 GJAB COc1ccc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cc1 585100874 ZWLJDNFTWKQLJH-RUZDIDTESA-N 392.543 4.551 0 40 GJAB CC(C)c1c(NC(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)cnn1-c1ccccc1 585101410 IFQIGXCCDPMVOT-WIYYLYMNSA-N 396.535 4.809 0 40 GJAB Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)cc1 1363426 JYFLWCXVYNBNGE-QGZVFWFLSA-N 381.863 4.718 0 40 GJAB CCOC(=O)C(=O)N1c2ccccc2[C@](C)(c2ccc(Cl)cc2)CC1(C)C 2183185 XYAYKDXUNTYDTC-QFIPXVFZSA-N 385.891 4.724 0 40 GJAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(-c3ccccc3Cl)nc21 2378003 HYKDQXCKBFDKDZ-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB CN(C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl)C1CCCCC1 2624692 CCGABJJDIUAIOS-UHFFFAOYSA-N 378.683 4.595 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(OC(F)F)cc2)sc2c1CCCC2 2739534 SFBNHUUQUAHYLU-UHFFFAOYSA-N 395.427 4.657 0 40 GJAB CN(Cc1cccc(Cl)c1)Cn1nc2c(Cl)cc(Cl)cn2c1=S 3338200 HGUUVBKHAANVBY-UHFFFAOYSA-N 387.723 4.915 0 40 GJAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)nc1 3369750 VICWHMRTZQNZSS-UHFFFAOYSA-N 397.312 4.785 0 40 GJAB O=C(NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1Cl 4315800 RNIBHGFKADSVBY-UHFFFAOYSA-N 392.311 4.906 0 40 GJAB Cc1nnc(S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)O)[nH]1 4715778 CAQQFMWRTPRRBC-QPEQYQDCSA-N 396.255 4.898 0 40 GJAB Cc1ccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@H]2c2ccccc2)cc1 4815006 CHFJRHLYPSIIJZ-GOTSBHOMSA-N 394.478 4.968 0 40 GJAB C[C@@H](Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl)c1ccccc1 4927541 XTWBIRMXONBQFD-XSXQVXRUSA-N 383.923 4.995 0 40 GJAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CCCc2ccccc21 5147287 XGCAOQAFHDGXDY-UHFFFAOYSA-N 391.471 4.724 0 40 GJAB C=C1C[C@@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 5383426 YCDZXIYKJHQMIG-CRKAGTSRSA-N 384.516 4.575 0 40 GJAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2ccc(C)cc2)nc1 6238431 SANWFSQMNCSGQT-UHFFFAOYSA-N 384.526 4.756 0 40 GJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccccc1C(F)(F)F 6558103 HSRMQRMNMYAYBO-UHFFFAOYSA-N 378.394 4.505 0 40 GJAB Cc1ccc(C)c(Cn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 6752582 SFHYWSJANLNLCF-UHFFFAOYSA-N 389.543 4.940 0 40 GJAB COc1ccccc1Nc1nc(Nc2cccc(Cl)c2)c2cnn(C)c2n1 7448356 NIJJZGNQMNTYBT-UHFFFAOYSA-N 380.839 4.513 0 40 GJAB Cc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)s1 7989450 YSDIUZODSRDZGH-UHFFFAOYSA-N 375.881 4.811 0 40 GJAB O=C(c1ccc2ncsc2c1)N1CCC(c2nc3ccccc3s2)CC1 8086304 CAYCYNFBNXBNDB-UHFFFAOYSA-N 379.510 4.926 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 8168692 XORNFGLCTMHFGS-UHFFFAOYSA-N 392.386 4.903 0 40 GJAB C[C@H](Sc1ncc(-c2ccccc2)n1C1CC1)c1nc2ccccc2c(=O)[nH]1 8709895 MUJAYGDYOJKPSZ-AWEZNQCLSA-N 388.496 4.975 0 40 GJAB COc1cccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)c1 8854065 WCPDEXLMRBBXNL-UHFFFAOYSA-N 388.489 4.764 0 40 GJAB Cc1csc(SCc2c(C(=O)NCc3ccccn3)oc3ccccc23)n1 9336466 LMBKCCHDRZGKDK-UHFFFAOYSA-N 395.509 4.815 0 40 GJAB O=C(Nc1nncs1)c1oc2ccccc2c1CSCc1ccccc1 11055117 YBDVFYXZVNZBBD-UHFFFAOYSA-N 381.482 4.970 0 40 GJAB Cc1cccc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)c1C 12444155 ZIFGCVUZQHBSAE-UHFFFAOYSA-N 396.537 4.916 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](NCc2nc3ccccc3n2C)c2ccccc2)c1 12580665 FVKTYOBVPFOAMQ-DEOSSOPVSA-N 398.510 4.660 0 40 GJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCc1nnc(-c2ccsc2)o1 12873415 FDMAEIAVODSGDY-CYBMUJFWSA-N 381.457 4.697 0 40 GJAB CCn1c(C2CC2)nn(CN2CCC(c3nc4ccccc4s3)CC2)c1=S 14197100 BGFLJCCRECRILM-UHFFFAOYSA-N 399.589 4.758 0 40 GJAB COc1ccccc1-c1ccccc1CN1CCC(Cn2ccnc2C)CC1 19714572 DZDPWPIKLHNCOR-UHFFFAOYSA-N 375.516 4.779 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3OCc3ccccn3)[nH]n2)cc1 19718247 YSHYQGXNSRSBSD-UHFFFAOYSA-N 384.439 4.611 0 40 GJAB Cc1cc(C)cc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1 20241737 PNHQTIBAGZCPOQ-UHFFFAOYSA-N 399.538 4.878 0 40 GJAB Cc1nn(-c2ccc(C(=O)O)cc2)c2nc(-c3cccnc3)cc(C(F)(F)F)c12 20250154 LGGWTDMEWPUKGM-UHFFFAOYSA-N 398.344 4.508 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)ccc1Cl 20485321 XYRRYXYOTLCMPW-SFHVURJKSA-N 389.879 4.930 0 40 GJAB Cc1ccc([C@H]2CC(=O)c3cn4nc(-c5ccc(Cl)cc5)nc4nc3C2)cc1 20632434 TXACWYNASBCESX-MRXNPFEDSA-N 388.858 4.666 0 40 GJAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 20671823 IFDHJUKREPZHQJ-MRXNPFEDSA-N 380.517 4.663 0 40 GJAB CC(=O)COc1ccc2cc(-c3csc(-c4ccc(F)cc4)n3)c(=O)oc2c1 20722826 SDHNIAATERSJOI-UHFFFAOYSA-N 395.411 4.690 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)Cc1ccc(Cl)s1 20911180 URDFWLQSNICWBI-UHFFFAOYSA-N 394.327 4.880 0 40 GJAB Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)no2)cc1 21800516 CWIVOUAPATUVQQ-HNNXBMFYSA-N 379.460 4.749 0 40 GJAB CCOc1cc(C=O)ccc1OCc1nc(-c2ccc(C(C)(C)C)cc2)no1 22120969 HGKRVQBZSZQILY-UHFFFAOYSA-N 380.444 4.824 0 40 GJAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(F)c1 23532001 QRJJOELJEQRGDR-UHFFFAOYSA-N 397.277 4.552 0 40 GJAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 25712360 OLAFRNLROZEEQY-OAQYLSRUSA-N 396.922 4.681 0 40 GJAB CCOc1ccc(CN(C)C(=O)NCCSc2ccc(Cl)cc2)cc1 26528096 YUBGPAMNKPWMDB-UHFFFAOYSA-N 378.925 4.672 0 40 GJAB Cc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCCC2)cc1 27749477 CGBOEFJKZBPBMS-RZTYHALVSA-N 380.576 4.855 0 40 GJAB Cc1nn(-c2ccc(NC(=O)c3cccs3)cc2)c(C)c1Br 28247460 JPAWHHFQJXRYFG-UHFFFAOYSA-N 376.279 4.565 0 40 GJAB Cc1c(C(=O)N(Cc2ccc(F)cc2)C[C@H]2CCCO2)oc2ccc(F)cc12 28250944 QHCMTRADQCKWCT-GOSISDBHSA-N 385.410 4.841 0 40 GJAB Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(F)cc2)cc1 28527921 YMHXUYYZYCPEFI-UHFFFAOYSA-N 393.466 4.691 0 40 GJAB O=C(CCCc1ccccc1)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 32610061 WMBOCXXUKZLJIS-UHFFFAOYSA-N 387.405 4.912 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)c1 33172511 NWONNADUHODZBR-UHFFFAOYSA-N 376.485 4.767 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1C 43037414 BWJSFLQCQPPZPH-ROUUACIJSA-N 378.472 4.618 0 40 GJAB Nc1c(Cl)cc(NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1Cl 47572190 XBDWBEBPPJLYPU-UHFFFAOYSA-N 379.272 4.676 0 40 GJAB COc1ccc(-c2ncc(CNC3(c4ccc(OC)cc4)CCCC3)cn2)cc1 57822767 OLHXEZKTGLJAGG-UHFFFAOYSA-N 389.499 4.720 0 40 GJAB Oc1ccc([C@H]2CCCN2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 58433262 OPWBTUJKJJAGBI-QGZVFWFLSA-N 389.377 4.798 0 40 GJAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N[C@H]1CCc2ccccc21 71326755 MRJVCHRWKLVTNN-HNNXBMFYSA-N 384.892 4.661 0 40 GJAB CCC(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)CC1 72345066 NFBDUKLOJSEUIW-UHFFFAOYSA-N 398.572 4.501 0 40 GJAB COc1ccc(S(=O)(=O)N(C)[C@H](C)CC2CCCCC2)c2c1CCCC2 72408063 VLSJIHWOPYGVTD-MRXNPFEDSA-N 379.566 4.553 0 40 GJAB O=C(c1ccccc1)N1CCC[C@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 96267897 ZDYRRLUITHWDNW-FQEVSTJZSA-N 386.430 4.513 0 40 GJAB CCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(N3CCCCC3)c2c1 101552092 GLSVIWKTPAUUNN-UHFFFAOYSA-N 390.483 4.863 0 40 GJAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)cc4)cs3)C(=O)[C@H]12 102619648 WQWMXOPYXJXDLU-LNMJFAINSA-N 378.497 4.600 0 40 GJAB C[C@H](NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103036390 HUJBDQZODZRTGQ-FBAVSBLXSA-N 393.483 4.577 0 40 GJAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1[C@@H](C)CCC[C@@H]1c1ccccc1 107075820 KDIWGMNOUXGBKU-GLYQVZKVSA-N 390.527 4.665 0 40 GJAB CCOc1cc(-c2nnc(N)o2)ccc1OCc1ccc(Cl)cc1Cl 216823037 YJSNCGAVZJHQRI-UHFFFAOYSA-N 380.231 4.603 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N(CC)Cc1nc(-c2cccs2)no1 219373631 UPQOCDPSEIWFHF-MRXNPFEDSA-N 399.516 4.621 0 40 GJAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 222846150 GLCPDGUGRBGFSH-UXHICEINSA-N 381.476 4.862 0 40 GJAB COC(=O)c1cccc(NC(=S)NCc2ccc(Cl)cc2Cl)c1C 225306414 GVKUTQADZBEJFS-UHFFFAOYSA-N 383.300 4.575 0 40 GJAB Nc1nnc(/C=C/c2ccc(OCc3ccc(F)cc3Cl)c(Cl)c2)o1 226338705 GBNQINJNWRQBCX-QHHAFSJGSA-N 380.206 4.847 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 244417895 YRVRMMWJYUUOTR-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](c2cccc(-c3cccc(C(=O)O)c3)n2)C1 257262913 LNPTYLJRDDQHHO-KRWDZBQOSA-N 382.460 4.561 0 40 GJAB Cc1ccc(C2CCN(Cc3ccc(-c4ccccc4C(=O)O)o3)CC2)nc1 257275352 NOZCKYABUGBTCZ-UHFFFAOYSA-N 376.456 4.728 0 40 GJAB O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408696159 WYIFJRPICGAMLL-UHFFFAOYSA-N 394.356 4.604 0 40 GJAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2c(F)cccc2Cl)S1 408819088 WPYKYCWRTDKUDG-UHFFFAOYSA-N 377.848 4.559 0 40 GJAB O=C1N/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1C1CCCCC1 409092987 YIZZSFJVEUNMSU-ZHZULCJRSA-N 394.446 4.630 0 40 GJAB CCCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccccc1 409094864 GBNGGVKUIITPQY-UHFFFAOYSA-N 380.517 4.648 0 40 GJAB O=C(Nc1ncc(C2CCOCC2)s1)NC1(c2c(F)cccc2F)CCC1 626578654 YNXRCYSAIYIDHP-UHFFFAOYSA-N 393.459 4.516 0 40 GJAB C/C(CCC(=O)O)=C1\CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1560408782 RUXSDYBLLFVIDI-FREPZLQESA-N 390.564 4.542 0 40 GJAB CCOc1ccccc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615120041 JPWWSMACNRVKCJ-XMMPIXPASA-N 396.506 4.888 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1888876517 WIBALXNMHHVJNY-GJZGRUSLSA-N 398.816 4.955 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(Cl)cc2)cc1 644199 OOPXRHLTUKVLAZ-UHFFFAOYSA-N 394.858 4.531 0 40 GJAB COc1cc(OC)cc(-c2cc3nc(C)c(C)c(NCc4cccs4)n3n2)c1 1332098 KRNVICPBOVGAIE-UHFFFAOYSA-N 394.500 4.704 0 40 GJAB Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 1445068 PGMNHVGPKAJBRS-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccccc1Oc1coc2cc(OC(=O)c3ccccc3)ccc2c1=O 1448085 JWKFEXTUPVCQDS-UHFFFAOYSA-N 388.375 4.813 0 40 GJAB biogenic Cc1ccc([C@@](O)(C(F)(F)F)[C@@](O)(c2ccc(C)cc2)C(F)(F)F)cc1 1559247 PNGDXJSMGGINQB-HOTGVXAUSA-N 378.312 4.503 0 40 GJAB CC[C@@H]1C(=O)OCc2c1cc1n(c2=O)[C@H](CC)c2c-1nc1ccccc1c2Cl 1768022 DMEFYKZHPYTSLZ-MEDUHNTESA-N 394.858 4.580 0 40 GJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1cccc(C)c1 1986294 ZAHACVIKDINXOI-UHFFFAOYSA-N 395.480 4.918 0 40 GJAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(C(C)C)cc4)sc3nc12 2466973 DKQMXFITNSDPNJ-UHFFFAOYSA-N 377.469 4.593 0 40 GJAB COc1cccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)c1 2925005 JZAPPMUGJZCXMI-UHFFFAOYSA-N 391.905 4.598 0 40 GJAB CCOc1ccccc1N1CCN(C(=S)Nc2ccc(C(C)C)cc2)CC1 3339023 HXDNGQWNEVVUAI-UHFFFAOYSA-N 383.561 4.728 0 40 GJAB O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(F)c(Cl)c1 3378208 NSDAETKNGYGJKS-UHFFFAOYSA-N 386.178 4.535 0 40 GJAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1ccc(OC(F)(F)F)cc1 3469530 LJJBNVUEWZOCSL-UHFFFAOYSA-N 379.363 4.664 0 40 GJAB C[C@@H](NC(=O)CSc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 3499091 VCWJAZLQLMVXRH-LLVKDONJSA-N 398.311 4.734 0 40 GJAB CCN1C(=O)C2(c3ccccc31)N(c1ccc(C)cc1)CCN2c1ccc(C)cc1 4710261 QHCUHNWHKBJENY-UHFFFAOYSA-N 397.522 4.850 0 40 GJAB Cc1cccc(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)c1C 4966377 AEOVPHCYOYHSRK-UHFFFAOYSA-N 379.529 4.731 0 40 GJAB Cc1cc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)nc(Cl)n1 4967267 WJSGAZBRYMATSM-UHFFFAOYSA-N 393.918 4.591 0 40 GJAB O=C1[C@@H](c2ccccc2)N(c2ccc(Cl)cc2)C(=O)CN1c1ccccc1F 5451866 WSHGCWSCNOMYBT-OAQYLSRUSA-N 394.833 4.600 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 5600527 QTFBRGVGADAFIA-UHFFFAOYSA-N 393.493 4.992 0 40 GJAB Cc1ccccc1[C@H](OC[C@H](O)Cn1c(C)nc2ccccc21)c1ccccc1 5689543 KQJKBBSLPJYJGJ-PXDATVDWSA-N 386.495 4.820 0 40 GJAB CCCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(O)nn2C(CC)CC 5965510 FHWNJEXKULOXKI-GOSISDBHSA-N 389.521 4.513 0 40 GJAB COc1ccccc1[C@@H](CNC(=S)Nc1ccc(Cl)cc1Cl)N(C)C 6650785 MELBTYIIJRBKQW-MRXNPFEDSA-N 398.359 4.591 0 40 GJAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1 6732364 VHMACOSVMDYEOX-SANMLTNESA-N 399.490 4.565 0 40 GJAB aggregator Cc1cc(-n2c(C)cc(C(=O)COc3cccc(Cl)c3Cl)c2C)no1 7506138 UZFOPSFFHIGIHP-UHFFFAOYSA-N 379.243 4.959 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)cc1Cl 7928632 OPYVVEWXIKATIK-HNNXBMFYSA-N 385.891 4.904 0 40 GJAB COc1ccc(-c2cc(NC(=O)c3cncn3-c3ccccc3)ccc2OC)cc1 8135860 YZSHOCAHVXFLJW-UHFFFAOYSA-N 399.450 4.809 0 40 GJAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cn2ccccc2n1 8279537 NUDOUKBHDXWBNG-UHFFFAOYSA-N 385.467 4.576 0 40 GJAB COc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4ccncc4)nc32)cc1 9303837 PAVUDWZMNZHJLH-UHFFFAOYSA-N 384.361 4.818 0 40 GJAB CC(C)[C@@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 9791494 DEPQGFIAVLBWTI-HXUWFJFHSA-N 388.895 4.650 0 40 GJAB O=C(CCCc1cccs1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 9865084 VIKGGNGPJSOHIA-OAHLLOKOSA-N 386.542 4.893 0 40 GJAB C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)OC12CC3CC(CC(C3)C1)C2 12401800 PCXPQDVJYZHBPC-IVKJLDKCSA-N 381.438 4.809 0 40 GJAB COc1cc([C@@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccc(F)cc1 12419393 YZIFHLBMNQFCEB-INIZCTEOSA-N 383.444 4.949 0 40 GJAB Cc1ccc(-n2nc(C)c(NC(=O)/C=C/c3ccc4ccccc4n3)c2C)cc1 12523342 SYOPRKRXUXAFKX-NTCAYCPXSA-N 382.467 4.998 0 40 GJAB O=C(CCCSc1nnc(NC2CC2)s1)c1ccc(Br)cc1 12735544 ATBKEPYZTKJDKL-UHFFFAOYSA-N 398.351 4.630 0 40 GJAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cc1ccc(C)cc1 12897936 BVUCWUGXFYHGMI-UHFFFAOYSA-N 393.314 4.722 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(C)cc1 14082291 LWGWEQNLRIJNSA-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB COc1ccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1 19565028 HCKUHMZSXCBSJR-UHFFFAOYSA-N 387.430 4.857 0 40 GJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccc(Cl)cc1)C3 20412320 WDNRGUIMKTVINK-UHFFFAOYSA-N 383.875 4.766 0 40 GJAB biogenic O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)C1CCCCC1 20728035 CZHUECAYDODXMJ-UHFFFAOYSA-N 388.515 4.965 0 40 GJAB COc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)cc1 21017632 JXZGYLPPRMLTJV-UHFFFAOYSA-N 395.418 4.978 0 40 GJAB Cc1nc2cc(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)ccc2[nH]1 24833303 CKLPLPQPENEIOI-UHFFFAOYSA-N 384.798 4.880 0 40 GJAB Cc1c(C(=O)N2CCCCC[C@@H]2c2cccn2C)[nH]c2c1C(=O)CC(C)(C)C2 25712187 FHKLQEXYKHPHED-GOSISDBHSA-N 381.520 4.574 0 40 GJAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 27165058 WILOMXGBAHVLOY-AWEZNQCLSA-N 396.512 4.510 0 40 GJAB O=C(NCCc1ccc(O)cc1)c1ccc(COc2ccc3ccccc3c2)o1 28224668 JKATYKVBMPZYMO-UHFFFAOYSA-N 387.435 4.690 0 40 GJAB Cc1ccc(-c2csc(NC(=O)COCc3nc4ccccc4s3)n2)cc1 29152207 LSHYNAUEXDHKSG-UHFFFAOYSA-N 395.509 4.884 0 40 GJAB CSCn1nnc(-c2cccs2)c1C(=O)Nc1cccc(Cl)c1C 32611799 IWPNGVPSBLHSFB-UHFFFAOYSA-N 378.910 4.541 0 40 GJAB CCc1ccc([C@H](CNC(=O)c2oc3ccccc3c2CSC)N(C)C)cc1 32733113 IXRIXOFSDPYERT-FQEVSTJZSA-N 396.556 4.891 0 40 GJAB Cc1ccccc1-n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccco3)nc21 36617196 AYIDGHRDZWDKRQ-UHFFFAOYSA-N 385.395 4.949 0 40 GJAB CC(=O)c1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 37207260 VEANVSWOOARBPK-OAQYLSRUSA-N 396.537 4.598 0 40 GJAB O=C(CCCc1cccs1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 40025691 KSKCTUOOQOKQBP-UHFFFAOYSA-N 397.540 4.696 0 40 GJAB CC(C)COc1ccc(NC(=O)CCCc2nc(C(C)C)no2)cc1Cl 40133208 JOQGORWUISTRSA-UHFFFAOYSA-N 379.888 4.843 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2nc(-c3ccco3)cs2)c1 46014756 RHXDWOGIOUEKDX-MRXNPFEDSA-N 399.472 4.789 0 40 GJAB COc1ccc(Cl)cc1NC(=O)N1CCC(COCc2ccccc2)CC1 49028873 PQEWGVIECODZGG-UHFFFAOYSA-N 388.895 4.809 0 40 GJAB COc1cc(CNC(=O)N2CCC[C@H]2c2cccc3ccccc23)ccc1O 56607719 ZRPWEGDAZZUZKA-FQEVSTJZSA-N 376.456 4.601 0 40 GJAB CCN(CCC(F)(F)F)C(=O)c1cc(-c2ccccc2)nc2onc(C)c12 58140910 NMMARUFCIBFXFK-UHFFFAOYSA-N 377.366 4.613 0 40 GJAB O=c1[nH]c(-c2cccc(O)c2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 63837483 NZVYGLNAGGMHSS-UHFFFAOYSA-N 382.341 4.982 0 40 GJAB Cc1cc(C)n(-c2ccc(COc3nc(-c4ccccc4Cl)no3)cc2)n1 72068253 JDWMOJBOPYKCOP-UHFFFAOYSA-N 380.835 4.772 0 40 GJAB CCCCNc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213697 MAJGLNNNKUWWMP-HXUWFJFHSA-N 387.549 4.518 0 40 GJAB CN(C)c1cccc(C(=O)N2CCC[C@H](c3cccc(-c4cccs4)n3)C2)c1 72350729 FEDRNPCWFCKQEJ-SFHVURJKSA-N 391.540 4.896 0 40 GJAB Cc1nc(N2CCC[C@@H]2c2nc3ccccc3s2)c2cnn(C(C)(C)C)c2n1 84286999 AGRYOJNILDIWAD-MRXNPFEDSA-N 392.532 4.841 0 40 GJAB CCOc1ccccc1NC(=O)N1CCC(CSc2nc(C)cs2)CC1 90608142 CHZGUCBTEJVGBX-UHFFFAOYSA-N 391.562 4.886 0 40 GJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccccc2Cl)S1 96116844 VCZGQXWNGDKBLT-BLLLJJGKSA-N 391.924 4.846 0 40 GJAB CC(C)c1sc(Cl)nc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 96118801 NAHSIUZUBMLNBJ-UHFFFAOYSA-N 388.924 4.816 0 40 GJAB Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cn2)cc1NC(=O)c1ccco1 97010711 SQUFYGTVDUHJKT-UHFFFAOYSA-N 390.226 4.794 0 40 GJAB C[C@H](NC(=O)c1ccccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 102320670 VNMBCNYYGSCKPZ-ZULIPRJHSA-N 376.500 4.942 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 103718508 GVKXQJCNNQSABE-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB Cc1cccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c1C 107100875 HFPLUHDGIHNFIX-UHFFFAOYSA-N 394.784 4.809 0 40 GJAB Cc1ccn2cc(-c3cccc(NC(=O)[C@@H](C)Oc4ccc(F)cc4)c3)nc2c1 141559725 LIUHXMYTZWQLCE-MRXNPFEDSA-N 389.430 4.855 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219369523 JDROOIDFTNGKTL-PMACEKPBSA-N 397.515 4.888 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc2ccccc2c1 222837882 OTJRLZGGYVNJGU-NRFANRHFSA-N 391.467 4.646 0 40 GJAB CCCc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2)cc1 223407110 DPWSVCUQAGVQNG-UHFFFAOYSA-N 377.937 4.721 0 40 GJAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 225503330 XMHXOCVRTSKGPQ-UHFFFAOYSA-N 380.532 4.858 0 40 GJAB COC(=O)c1cc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)ccc1Cl 225537022 SQTIOHRZWRULLH-ZDUSSCGKSA-N 376.909 4.791 0 40 GJAB Cc1ccc(C2(NC(=S)Nc3cccc(N4CCCC4=O)c3)CCCC2)cc1 225870424 NYHACNGIJFGUGG-UHFFFAOYSA-N 393.556 4.878 0 40 GJAB Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1 226238587 NZPVSRWQBCRLKH-UHFFFAOYSA-N 381.888 4.716 0 40 GJAB Cc1cc(C)cc(CN2CCO[C@@H](c3cn4c(-c5ccncc5)cccc4n3)C2)c1 306133111 MCLBOKYXLFSOLK-XMMPIXPASA-N 398.510 4.587 0 40 GJAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccccc2Cl)cc1 408969724 SLYZIZJMJNWPSC-UHFFFAOYSA-N 382.847 4.518 0 40 GJAB CCCSC1=NC(C)=C(C(=O)OCC)[C@@H](c2cccc(Cl)c2Cl)N1 408994719 ZUQQHXOQWHRZBK-OAHLLOKOSA-N 387.332 4.974 0 40 GJAB COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409378008 LMFKVNHEPBFCTB-UHFFFAOYSA-N 390.483 4.942 0 40 GJAB Cc1ocnc1C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OCC12CCCC2 585140719 KGHMDUJXGBDMEK-INIZCTEOSA-N 394.393 4.528 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)Nc1c(F)cccc1F 1775967601 XQAPSRCVJNOTCF-CYBMUJFWSA-N 380.441 4.610 0 40 GJAB CCc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1 958135 AFHFRFCHSQNPIB-CSKARUKUSA-N 378.255 4.751 0 40 GJAB CC(=O)Oc1cc2c(cc1Br)[C@H]1CC[C@@]3(C)C(=O)CC[C@H]3[C@H]1CC2 1425514 IGZVPNAJLMAGND-JZJQHEAOSA-N 391.305 4.800 0 40 GJAB COC(=O)c1ccc(COc2ccccc2/C=C2\C(=O)N(C)c3ccccc32)cc1 3326183 DQBDAZZDAXYPRP-QNGOZBTKSA-N 399.446 4.569 0 40 GJAB Cc1cccc(N2C[C@@](O)(c3ccc(Cl)c(Cl)c3)[N+]3=C2CCCCC3)c1 4086887 QSCHETRKBUGBBU-OAQYLSRUSA-N 390.334 4.952 0 40 GJAB C[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2Cl)s1 4174486 PKHWPDKNGODXJX-NSHDSACASA-N 375.906 4.978 0 40 GJAB Cc1ccc(N2C(=O)c3ccccc3N[C@@]2(C(=O)O)c2ccccc2)cc1Cl 4708858 OJGKTLMXHSFTAM-QFIPXVFZSA-N 392.842 4.658 0 40 GJAB CCCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(C)cc12 4895189 PNYODBIRWIATDZ-UHFFFAOYSA-N 383.492 4.753 0 40 GJAB CCOc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 4903227 SKFFWHXVFGYAPA-UHFFFAOYSA-N 387.892 4.860 0 40 GJAB O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1ccc(F)cc1 5146523 FOXMBUJERARWTN-UHFFFAOYSA-N 399.878 4.714 0 40 GJAB O=S(=O)(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccccc1 6587002 DDRAOVYDCJMWFL-UHFFFAOYSA-N 380.494 4.688 0 40 GJAB CCCCCn1nc(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2c1=O 6949394 QHRGBFYIQMYYEL-UHFFFAOYSA-N 387.842 4.632 0 40 GJAB Cc1cc(/C=C(/Sc2nc3ccccc3[nH]2)C(=O)O)ccc1N1CCCC1 7342975 FCFGHMCCXRFLRN-CPNJWEJPSA-N 379.485 4.689 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)nnc1C1CC1 7618230 AZKBGVMMKLLJAW-UHFFFAOYSA-N 378.501 4.573 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 7778293 ZEWKQKCTPFEECJ-UHFFFAOYSA-N 376.412 4.944 0 40 GJAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)NC12CC3CC(CC(C3)C1)C2 7974203 UODRFRSTYPSGKK-NSCUHMNNSA-N 387.907 4.600 0 40 GJAB Cc1cccc(OCc2nnc(NC(=O)CSCc3ccccc3)s2)c1C 8743420 LHYVUEZGDXTTHK-UHFFFAOYSA-N 399.541 4.606 0 40 GJAB Cc1cccc(OCc2nc(C)c(C(=O)N[C@H](C)c3ccc(F)cc3)s2)c1 9251024 FSTYSINXAYXMQY-CQSZACIVSA-N 384.476 4.969 0 40 GJAB COc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nc(C)n1 12225313 ZXONNENDZGVOHV-UHFFFAOYSA-N 386.814 4.582 0 40 GJAB Clc1cc(Cl)c2nnc(SCc3nccn3Cc3ccccc3)n2c1 12535445 WHPPBRHMCLDXEY-UHFFFAOYSA-N 390.299 4.573 0 40 GJAB CN(C)C(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3F)s2)cc1 12910938 QVMXUXMXZUSHKE-WYMLVPIESA-N 394.471 4.908 0 40 GJAB C[C@@H](NC(=O)c1ccccc1I)c1cc2ccccc2o1 12924923 BMZRLITWRKGAOG-LLVKDONJSA-N 391.208 4.528 0 40 GJAB COc1ccc2cc(CN(C)CCC(=O)Nc3ccc(C(C)=O)cc3)ccc2c1 12928710 YKABCQUVMXIYOJ-UHFFFAOYSA-N 390.483 4.512 0 40 GJAB COc1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc(Cl)c1OC 12980943 ZWRUIYDZENWMAU-LLVKDONJSA-N 390.892 4.800 0 40 GJAB Cc1cc2nc(C)c(CCC(=O)N[C@@H](C)c3cccc4ccccc34)c(C)n2n1 13005816 OVLRMTVEUADQRU-KRWDZBQOSA-N 386.499 4.618 0 40 GJAB Cn1c(C[C@H](NC(=O)c2cccc(Cl)c2)c2ccccc2)nc2ccccc21 14129774 UIRVYNSPZSOFSA-FQEVSTJZSA-N 389.886 4.941 0 40 GJAB COc1cc(NCC(=O)N2c3ccccc3Sc3ccccc32)cc(OC)c1 16194921 KXFZNDLAFKUWSW-UHFFFAOYSA-N 392.480 4.945 0 40 GJAB CC(C)c1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2cccs2)n1 16576014 XZEONZCNEWCAFM-UHFFFAOYSA-N 382.880 4.625 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc2c(O)cccc12 17078217 UGXZRVGTLYPMJL-FMIVXFBMSA-N 382.872 4.725 0 40 GJAB ClC(Cl)(Cl)C1=N[C@@H](C(Cl)(Cl)Cl)NC(c2ccccc2)=N1 19227937 FUUPDJWPQXLQRW-QMMMGPOBSA-N 393.916 4.501 0 40 GJAB CCN(C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)C3CCCCC3)CC2)C1 19712751 QOICJMYKVYEVQI-GOTSBHOMSA-N 398.591 4.800 0 40 GJAB O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)NC1CCCCCC1 20397492 CRVRJSXFEAODEH-GOSISDBHSA-N 399.560 4.579 0 40 GJAB O=C(NCCSc1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 20457414 BEYVBSSPRVWFJD-UHFFFAOYSA-N 388.536 4.771 0 40 GJAB COc1ccc(S[C@H](C)C(=O)NCCSCc2ccccc2Cl)cc1 20494664 OKQLCWQRMCCYIU-CQSZACIVSA-N 395.977 4.879 0 40 GJAB COc1ccc(Oc2cc(NC(=O)c3ccnc(Cl)c3)ccc2OC)cc1 22990319 DEOIPAQSERFRDF-UHFFFAOYSA-N 384.819 4.797 0 40 GJAB Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)nc(N)c2c1C 24834021 ANJSPSXRDNEGAX-JTQLQIEISA-N 392.937 4.663 0 40 GJAB CNC(=O)c1ccc(C)c(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1 24922524 SLDJNGZTAHDRSJ-UHFFFAOYSA-N 399.903 4.692 0 40 GJAB Cc1cn2c(/C=C/C(=O)N3CCCCC[C@H]3c3cccn3C)c(C)nc2s1 25712392 AMBQSOUVSHVEKH-VYENPZKTSA-N 382.533 4.508 0 40 GJAB CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 27793109 YHUPZTZOYLCAPZ-QFIPXVFZSA-N 380.532 4.741 0 40 GJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1sc(-c2ccc(F)cc2)nc1C 32741185 IYIROXFVCWODOM-UHFFFAOYSA-N 398.459 4.649 0 40 GJAB O=C(NCCc1ccc(F)cc1)Nc1cccc(NC(=O)c2cccs2)c1 32754939 HYJNJTWRGXRGCS-UHFFFAOYSA-N 383.448 4.504 0 40 GJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(CSc2ccccc2)o1 32765728 XFFUSALYDSDYHG-UHFFFAOYSA-N 395.480 4.963 0 40 GJAB Cn1cccc1/C=C1\S/C(=N/c2cc(C(F)(F)F)ccc2Cl)NC1=O 35647125 KCGTVJWSGRGMRQ-JYRVWZFOSA-N 385.798 4.589 0 40 GJAB Cc1ccc2c(Nc3ccc(F)c(F)c3)c(C(=O)N3CCCC[C@H]3C)cnc2n1 49005256 DBOMCXWQHBUCFK-CQSZACIVSA-N 396.441 4.975 0 40 GJAB O=C(CCSc1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1 49363080 PAEYQBKBQMOSIM-UHFFFAOYSA-N 399.541 4.687 0 40 GJAB Cc1cc(C)c(NC(=O)CNc2nc(-c3ccncc3)nc3ccccc23)c(C)c1 55397351 RCFCBBLNZHQINP-UHFFFAOYSA-N 397.482 4.668 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)Cc2ccnn2[C@@H]2CCCCO2)cc1 57796911 QRZRMGRUOYEVJX-DEOSSOPVSA-N 390.531 4.742 0 40 GJAB Cc1nc(-c2cccs2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 65402500 HGTPSBSMEYONPU-UHFFFAOYSA-N 390.534 4.526 0 40 GJAB CCCCOc1ccc(CCNC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1 65562967 OBGYEERNLOHVPY-UHFFFAOYSA-N 387.430 4.652 0 40 GJAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72214535 DEVYFPOJRSNIJW-LJQANCHMSA-N 395.503 4.820 0 40 GJAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3ccc(F)cc3)N1CC2 72342013 KSYQVNXNSLMYCA-RPWUZVMVSA-N 390.458 4.915 0 40 GJAB CC(=O)Nc1ccc(CN2CCC[C@H]2c2cccc(Cc3ccccc3)n2)cc1 72358107 BHLVVDLWZGGNKP-VWLOTQADSA-N 385.511 4.968 0 40 GJAB CN(Cc1ccc(O)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 78413753 FSSNYQSLJONODV-UHFFFAOYSA-N 393.409 4.675 0 40 GJAB COC(=O)c1occc1[C@@H]1N(C)c2ccccc2C(=O)N1c1ccccc1Cl 83881766 PMHVXMSAIHXOTC-LJQANCHMSA-N 396.830 4.515 0 40 GJAB CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1cnc(-c2ccccc2F)s1 89350718 IYUBSDCRRWOACK-UHFFFAOYSA-N 392.459 4.612 0 40 GJAB O=C(NCc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1COc2ccccc2O1 96346715 JIYDRRHKAWORNE-NRFANRHFSA-N 395.842 4.589 0 40 GJAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)C2CCCC2)CC1 100657956 VYMNSWNPFZYBGM-IYBDPMFKSA-N 398.572 4.841 0 40 GJAB CC[C@H](C)c1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3nc(N)nc(O)c32)cc1 101660245 PJPSDOLCUOOKLE-SJCJKPOMSA-N 398.466 4.827 0 40 GJAB COc1ccc([C@H]2CC3=Nc4nc(C)nn4[C@H](c4ccccc4)C3=C(O)C2)cc1 102715059 UODIEKVFTSZTSA-HTAPYJJXSA-N 386.455 4.660 0 40 GJAB CCOC(=O)[C@H](C(=O)CSc1ccc2ccccc2c1)c1nc(C)cs1 103034686 IFQAWWJLIPAPOT-GOSISDBHSA-N 385.510 4.613 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)COc1ccccc1C 219337918 FSTDVZODTGWKQW-WIYYLYMNSA-N 377.484 4.889 0 40 GJAB Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)cc1Cl 222762114 CFYDJZAQIMKVKI-OALUTQOASA-N 383.904 4.906 0 40 GJAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(Cl)cc1 224155220 YPBCTGAMXSSCMK-UHFFFAOYSA-N 395.886 4.900 0 40 GJAB CCCc1ccc(OCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224991917 WBGDIPLFDFPTFF-UHFFFAOYSA-N 375.896 4.645 0 40 GJAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2C)c(I)c1 225013243 ZGHSEYUXDGUTQY-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@H](CC)c2ccccc2)ccc1Cl 225481349 IXBOJGWZBIUPGE-QGZVFWFLSA-N 376.909 4.954 0 40 GJAB CC(=O)N[C@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2ccc(C(=O)O)cc2)C1 257320467 VWYKEKZLCSRXIP-DYXWJJEUSA-N 387.863 4.526 0 40 GJAB O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1ccc2c(c1)CCCC2 390827108 UGATYOUHOKGDAN-LJQANCHMSA-N 389.567 4.756 0 40 GJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 408628971 YVONFTJGXGVZRO-UHFFFAOYSA-N 397.544 4.593 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3C)n2)cc1 408696340 ZZUSPXXVGFIFKM-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccccc3SC)sc1CC2 409051522 DQKCSVJHEPATLI-UHFFFAOYSA-N 382.510 4.892 0 40 GJAB Oc1c(I)cc(Cl)cc1-c1nc2ccccc2s1 409192036 SYDWTWPCSJOGCU-UHFFFAOYSA-N 387.629 4.927 0 40 GJAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)C2(c3ccccc3)CC2)cc1 585091760 JOHQTDBPHYMEMA-UHFFFAOYSA-N 385.463 4.645 0 40 GJAB CCC[C@H]1CCN(Cc2ccc(N3CCCC3=O)cc2)C[C@H]1Nc1ccccc1 585262241 QWJBYQGNFUWMCT-XUZZJYLKSA-N 391.559 4.916 0 40 GJAB O=C(NCCc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2cc[nH]n2)cc1 1659102322 QHFFFXPTUMPVBG-UHFFFAOYSA-N 375.259 4.748 0 40 GJAB O=C(CCSc1ccccc1)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775978082 MYMQMNSVNJNRHA-LJQANCHMSA-N 383.538 4.747 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1 850281 XZMYKVFMRLZZGR-UHFFFAOYSA-N 388.423 4.835 0 40 GJAB Cc1ccccc1N1CC(=O)Nc2c(oc3nc(-c4ccccc4)cc(C)c23)C1=O 1036579 IRXKXXXBNRUYRT-UHFFFAOYSA-N 397.434 4.711 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C1CCCCC1 1508700 VPYBSTWGAWRFBX-UHFFFAOYSA-N 392.908 4.660 0 40 GJAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(F)cc3)c(C)c2oc1=O 2094500 ANJQSTDVSYLNQY-UHFFFAOYSA-N 398.430 4.624 0 40 GJAB biogenic O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2ccco2)nc2ccccc12 2622620 FYGLQZNQUTYZRO-UHFFFAOYSA-N 399.450 4.584 0 40 GJAB COc1cc(C(=O)Nc2nc3c(C)cc(C)cc3s2)ccc1OC(F)F 3173274 WUFNZIRBNVDRAI-UHFFFAOYSA-N 378.400 4.775 0 40 GJAB CN(c1ccccc1)S(=O)(=O)c1cccc(-c2nc3ccccc3s2)c1 3217403 KRWBMMLINIZLTK-UHFFFAOYSA-N 380.494 4.788 0 40 GJAB Cc1nc2ccccc2nc1OCC(=O)N(C1CCCCC1)C1CCCCC1 3352479 ZYTFFDSUFGKKKB-UHFFFAOYSA-N 381.520 4.811 0 40 GJAB Cc1cc(C)c(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c(C)c1 3358270 GYLJFBJARZNNIM-UHFFFAOYSA-N 378.472 4.598 0 40 GJAB Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)nc1-c1ccc(C(C)C)cc1 3864119 HWHYSSATNZEECJ-OWSLCNJRSA-N 398.528 4.927 0 40 GJAB Cc1ccc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)cc1Cl 4356377 XZZMSFLBAVBSQK-UHFFFAOYSA-N 387.867 4.975 0 40 GJAB O=C(CCn1ccnc1-c1ccccc1)NC1(c2ccc(F)cc2)CCCC1 4908371 RRAZBNWLMPDPDB-UHFFFAOYSA-N 377.463 4.665 0 40 GJAB Cc1ccc(-c2c(NC(=O)c3ccccc3F)n(C)c3ccccc3c2=O)cc1 5205597 ZFMJOLRSKFDCGO-UHFFFAOYSA-N 386.426 4.905 0 40 GJAB COCCn1cc(NC(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc21 5266260 HZSHYIPANGPAFA-UHFFFAOYSA-N 391.515 4.774 0 40 GJAB CC[C@H]1C[C@@H](CC(=O)NC(=S)Nc2ccc(Br)cc2)C1(C)C 5333361 GKZXVZBFLVRRIA-RYUDHWBXSA-N 383.355 4.725 0 40 GJAB CCCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 5787268 RMLBJNORIRQDHY-UHFFFAOYSA-N 396.487 4.816 0 40 GJAB Cc1noc(C)c1COC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 5936409 WUHGGKHSGYMZJF-UHFFFAOYSA-N 394.258 4.508 0 40 GJAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(OCC)cc3)nc2c1 6309569 DYQIURIRVUDDJT-UHFFFAOYSA-N 383.473 4.507 0 40 GJAB COc1ccccc1CN(C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 6542564 PMQCXJPHFMLXHQ-QFIPXVFZSA-N 378.447 4.646 0 40 GJAB CC(C)(C)c1ccc(OCC2=NSC3=NCC(c4ccc(F)cc4)=NN23)cc1 6615632 GIOCTPSAXIYTAP-UHFFFAOYSA-N 396.491 4.638 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN1C(=O)c1cccs1 6881148 FXTZGFJVUKMHSE-LJQANCHMSA-N 392.480 4.784 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 6954735 SUWSHHJRYJXSFU-UHFFFAOYSA-N 394.393 4.575 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)cc1 8208660 QHUSPNOXZVIZCM-UHFFFAOYSA-N 393.512 4.894 0 40 GJAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1ccc(Br)cc1 8230786 SOSHSHNDQIVJIU-VIFPVBQESA-N 394.319 4.659 0 40 GJAB Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC(C)C)C1 8636072 AKLWFFSCSILRAA-WOJBJXKFSA-N 380.536 4.732 0 40 GJAB biogenic,in-vitro Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1 8929947 BITSIZKYNMEUFI-MRXNPFEDSA-N 377.440 4.562 0 40 GJAB Cc1cccc(NC(=O)CCc2csc(NC(=O)c3cccs3)n2)c1C 11835213 GHABQRZIDIVTBN-UHFFFAOYSA-N 385.514 4.645 0 40 GJAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)[C@H](C)c3ccccc3)cc2)on1 12158895 LKZDEBUJFQHVNS-QGZVFWFLSA-N 398.466 4.527 0 40 GJAB CCn1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)c1C 12186557 GYZNHWKFNFHVRK-UHFFFAOYSA-N 386.559 4.662 0 40 GJAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)CC2CCCCC2)C1 12221087 FRKROTUHXBFMOL-LJQANCHMSA-N 378.520 4.639 0 40 GJAB CCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O 12539675 LFNLLSMERIHQHW-AWEZNQCLSA-N 388.298 4.727 0 40 GJAB Cc1nc(S[C@H](C)C(=O)c2ccc(Cl)cc2)n(C[C@H]2CCCO2)c1C 12553000 HLNNMTOJOPSXPO-RHSMWYFYSA-N 378.925 4.696 0 40 GJAB COc1ccccc1C1(NCc2ccccc2OC[C@@H]2CCCO2)CCCC1 13998198 GMPJUJHVSFMRQG-FQEVSTJZSA-N 381.516 4.812 0 40 GJAB COc1cc([C@@H]2CC(O)=Nc3c2sc(C(=O)O)c3-c2ccccc2)ccc1O 15082124 KJSJBKGQCBKOQO-ZDUSSCGKSA-N 395.436 4.951 0 40 GJAB CC(C)(C)c1csc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)n1 15356383 PQOCNLMFEWMXDH-UHFFFAOYSA-N 375.494 4.884 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 15608701 SYWFUTOHQRHBFB-KRWDZBQOSA-N 382.504 4.664 0 40 GJAB C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(Cl)c(Cl)c1 17367255 NQQIUZIUWHQICC-LLVKDONJSA-N 392.311 4.932 0 40 GJAB CCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)no1 19503670 XOKFEXSJCJADRV-CQSZACIVSA-N 396.318 4.501 0 40 GJAB CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)CC(C)(C)C)n1 19525506 CWRMTBRYOSQGTK-KRWDZBQOSA-N 384.524 4.882 0 40 GJAB CCOC(=O)c1cc(NC(=O)CCSCc2ccccc2)ccc1Cl 20046764 QZONJEQBGBLYNR-UHFFFAOYSA-N 377.893 4.779 0 40 GJAB C[C@@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N1CCc2ccccc2C1 22079880 IXUVTNLGBIWBKL-OAHLLOKOSA-N 397.931 4.591 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(CSC(F)F)o2)c(OC)c1 30625579 FBBAUDOVHFAUPU-HNNXBMFYSA-N 397.443 4.730 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 30858504 MKYANZFHWROAGW-NRFANRHFSA-N 394.515 4.726 0 40 GJAB Cc1cc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccc(C(C)C)cc2)no1 30958768 UFBZXQVUXKKFNC-QFIPXVFZSA-N 377.488 4.918 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 32610139 GSDPNBNEROOKQT-VXGBXAGGSA-N 398.286 4.655 0 40 GJAB Cc1cc(NC(=O)C2(c3cccc(F)c3)CCCC2)ccc1N1CCCC1=O 32883697 IJUYILNLMXCDQX-UHFFFAOYSA-N 380.463 4.711 0 40 GJAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1ccccc1Cl 36620891 KTICXOWWLBVSFK-HXUWFJFHSA-N 375.921 4.745 0 40 GJAB Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)cnc2c(-c3ccccc3)cnn12 38829579 SIXCZSVQQOTUPF-UHFFFAOYSA-N 380.810 4.750 0 40 GJAB CCOC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)nc2)cc1 40146430 XVCVRRPAXLLHKS-UHFFFAOYSA-N 377.400 4.695 0 40 GJAB COc1ccc(OCC(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1 41091582 NPEAKDOFTQUDGP-UHFFFAOYSA-N 388.423 4.829 0 40 GJAB CCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1Cl 48301427 ZRFPAPCZLURZOY-UHFFFAOYSA-N 383.879 4.751 0 40 GJAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1 48310908 ANWSZHACTZTFSZ-IRXDYDNUSA-N 383.536 4.514 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccccc1C(F)(F)F 51364540 NDIQUPAQWVVITO-OAHLLOKOSA-N 398.384 4.864 0 40 GJAB Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=S)Nc1ccccc1)CC(=O)N2 58196780 KRTVGMGCDYZKKR-QFIPXVFZSA-N 387.508 4.736 0 40 GJAB COc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Br 59186137 RNNWTUUIYXEHFQ-SDQBBNPISA-N 398.178 4.969 0 40 GJAB CN(C(=O)c1cc(Br)cnc1Cl)c1cccc2ccccc12 60365072 XEAMVPUMDQONMY-UHFFFAOYSA-N 375.653 4.927 0 40 GJAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)N(C)c3ccccc3)n2)cc1 64579661 GHYWUXXZLYZEPN-UHFFFAOYSA-N 399.450 4.754 0 40 GJAB CSc1ccccc1NC(=O)[C@H](C)n1c(-c2cccs2)n[nH]c1=S 69514567 XHJKKEWPFVJLQV-JTQLQIEISA-N 376.532 4.591 0 40 GJAB CCN(C(=O)CSc1ncnc2c1[nH]c1ccc(C)cc12)c1cccc(C)c1 72331945 DYEHUCSQVSNNFW-UHFFFAOYSA-N 390.512 4.873 0 40 GJAB Brc1cc(CNCc2ccc(-c3ccccc3)o2)cc2c1OCO2 95352963 WGFZNCPASSFUGG-UHFFFAOYSA-N 386.245 4.728 0 40 GJAB COc1cc(CNc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)cc(OC)c1OC 95455325 HVZSOBCJUHDJDR-CRAIPNDOSA-N 393.487 4.634 0 40 GJAB CCc1ccccc1NC(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2 100426414 TZZXTHTXJRRGSL-SFTDATJTSA-N 391.515 4.596 0 40 GJAB CCSc1ccccc1C(=O)NCc1ccc([C@H](O)c2ccsc2)s1 207965868 UJHQRYMFPRBYBP-GOSISDBHSA-N 389.567 4.933 0 40 GJAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCS[C@@H](c2ccccc2F)CC1 219080763 NPMAFAWKYCOIOZ-OAQYLSRUSA-N 395.503 4.547 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 222885135 DKGJFZWMUWQKSO-NHCUHLMSSA-N 376.529 4.563 0 40 GJAB COc1ccc(/C=C(/C(=O)NCCOc2ccc(F)cc2)c2ccccc2)cc1 223428842 UUZZAIORLFAHMG-HAVVHWLPSA-N 391.442 4.570 0 40 GJAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC 223478974 BUULOXWTZASTTH-QFIPXVFZSA-N 384.495 4.612 0 40 GJAB CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224614165 FDFJSYMIKILNRZ-UHFFFAOYSA-N 394.707 4.871 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 408706523 AUFOVYPUSLTPEN-KLAILNCOSA-N 390.955 4.804 0 40 GJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 409026148 HKIMWNNBOCTWSC-KRWDZBQOSA-N 390.508 4.736 0 40 GJAB COc1cc(OC)c(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl 409101786 XXPVJFMWMIQDNJ-XGICHPGQSA-N 383.753 4.869 0 40 GJAB COCc1cc(C)nc2sc(C(=O)Nc3ccc(Cl)cc3C)c(N)c12 409372121 CQRVIHQUQWPEKE-UHFFFAOYSA-N 375.881 4.547 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@@H](c2ccsc2)c2cccs2)cc1OC 575414658 HVSMENMOIRDPET-IEJURRBGSA-N 385.510 4.746 0 40 GJAB FC(F)(F)c1cccc([C@H](NC2CCN(c3ccccn3)CC2)C2CC2)c1 585080595 FIADVTHUGYZBDM-HXUWFJFHSA-N 375.438 4.810 0 40 GJAB Cc1cc2c(cc1-c1ccnc3nc(-c4cccnc4)nn13)NC(C)(C)C[C@@H]2C 618257532 ZFGZVJWMKPWNSH-HNNXBMFYSA-N 384.487 4.859 0 40 GJAB C[C@H]1COCC[C@H]1c1noc(C2(c3cccc(OC(F)(F)F)c3)CCC2)n1 656019685 MTCBYIMJPFEPHX-SWLSCSKDSA-N 382.382 4.578 0 40 GJAB Cc1cc(C)n(-c2cccc(NC(=O)N[C@H](C)c3cc4cnccc4o3)c2)n1 1666040785 CPUPBWBMQWVVBM-OAHLLOKOSA-N 375.432 4.513 0 40 GJAB C[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=S)N12 625313 MXAMHBCJAQWPLN-DYZYQPBXSA-N 399.878 4.580 0 40 GJAB Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc12 629946 ZKAXKOFKBWKUJA-UHFFFAOYSA-N 396.244 4.918 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)cc1 681335 ZZHDEDMEXJMDBH-UHFFFAOYSA-N 388.496 4.675 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(F)c(Cl)c1 707313 WQSWPHVLVDFDLD-HXUWFJFHSA-N 396.805 4.979 0 40 GJAB CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)ccc1C 992757 LXQIREZUCQDTCC-UHFFFAOYSA-N 394.254 4.690 0 40 GJAB COc1cccc(NC(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)c1 1100071 VEZMITDFYKAHGH-UHFFFAOYSA-N 391.427 4.600 0 40 GJAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1 2971361 VPMCLFGKQAVHOA-UHFFFAOYSA-N 393.512 4.551 0 40 GJAB COc1ccc([C@H]2c3ccsc3CCN2C(=O)c2cccnc2Cl)cc1 3046440 ODFPEHGYIYUKIK-SFHVURJKSA-N 384.888 4.593 0 40 GJAB CCc1ccc(OCc2nnc(SCC(=O)C(C)(C)C)n2CC(C)C)cc1 3297126 UYZWNBYTNZAXQI-UHFFFAOYSA-N 389.565 4.783 0 40 GJAB S=C(NC1=NN(c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 3325952 MPRKXRXEUBDJDF-UHFFFAOYSA-N 388.496 4.989 0 40 GJAB Cc1c(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)nc2ncccn12 4033207 BNDCYYMXYOVWQM-UHFFFAOYSA-N 396.372 4.976 0 40 GJAB O=C(N1CCN=C1SCc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 4120251 DVQBIUUWEAJGEI-UHFFFAOYSA-N 388.964 4.988 0 40 GJAB O=C(NCCc1csc(-c2ccccc2)n1)c1ccccc1C(F)(F)F 4166971 BUWRORXZORCPOZ-UHFFFAOYSA-N 376.403 4.801 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCCC23CC4CC(CC(C4)C2)C3)cc1 4185951 ZFWWPSIAHNGSBE-UHFFFAOYSA-N 386.561 4.756 0 40 GJAB COc1ccc(Nc2nc(Nc3ccc(Cl)cc3C)c3cnn(C)c3n2)cc1 4272748 IZTCVXNHPJACKK-UHFFFAOYSA-N 394.866 4.821 0 40 GJAB CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 4602005 RFRYYVRXLSTESC-JOCHJYFZSA-N 389.451 4.698 0 40 GJAB O=c1[nH]c2ccc(NCc3ccccc3OCc3ccc(Cl)cc3)cc2[nH]1 4973815 KUUBTULWGFUPBI-UHFFFAOYSA-N 379.847 4.701 0 40 GJAB CCSc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 5240714 AJSPAHCMFRYSHG-UHFFFAOYSA-N 384.482 4.903 0 40 GJAB COc1ccc(-c2csc(NC(=O)Cc3ccc(C)cc3C)n2)cc1OC 5267977 GHNNVDBYZWHGGS-UHFFFAOYSA-N 382.485 4.625 0 40 GJAB CCOc1cc(C)c(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1C(C)C 6958321 GJYXXWBEVHRCLZ-FYJGNVAPSA-N 392.499 4.918 0 40 GJAB O=C(c1c[nH]c2ccccc12)[C@@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 7279044 WVYJBZNFFJHCFO-QHCPKHFHSA-N 384.435 4.975 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 8161184 PZFAQTAJUAVMBC-OAQYLSRUSA-N 383.488 4.559 0 40 GJAB O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccccc1Cl 8189522 WRUWWEGOPULFFR-UHFFFAOYSA-N 376.799 4.761 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 8562976 CDNRWEOQQTVWRD-UHFFFAOYSA-N 380.488 4.742 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 9164701 KICBXYMKXDDXTG-UHFFFAOYSA-N 394.515 4.592 0 40 GJAB CCC(=O)N([C@H]1CCOC(C)(C)C1)[C@H](c1ccccc1)c1ccc(OC)cc1 9481495 OAXFOJNYTWODFB-NZQKXSOJSA-N 381.516 4.981 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)c1 10030676 GTHRJASIFOHWID-JOCHJYFZSA-N 392.499 4.872 0 40 GJAB Oc1ccc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 12185719 CTHVKOAIINFDGJ-HXUWFJFHSA-N 392.455 4.893 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)CCc3c[nH]c4ccccc34)s2)cs1 12396571 QUHAWYWVXMRWBN-UHFFFAOYSA-N 395.553 4.953 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1SCc1cccs1 12582807 YLBHIHBHBJOEFT-UHFFFAOYSA-N 383.494 4.699 0 40 GJAB Cc1ccc(CN(C)Cc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)o1 12684130 NMVNSRBGDOTAKY-UHFFFAOYSA-N 385.514 4.555 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(N2CCCC2=O)c1 13002555 GAKOWHWEQUSSEV-LBPRGKRZSA-N 393.270 4.526 0 40 GJAB OC12C[C@H]3C[C@@H](C1)CC(NCc1cccc(OCc4ccc(F)cc4)c1)(C3)C2 13728525 CWLSLHRDJGRLJL-TUUBTQOTSA-N 381.491 4.578 0 40 GJAB Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 17144200 ALQIHKKHRCNQNN-OZVIIMIRSA-N 390.940 4.526 0 40 GJAB O=c1cc(CN(Cc2cccs2)C[C@H]2CCCO2)c2cc3c(cc2o1)CCC3 17308025 BZBIUIKVBGMNRA-LJQANCHMSA-N 395.524 4.524 0 40 GJAB Cc1cc(-c2csc(NC(=O)c3cc(=O)[nH]c4ccccc34)n2)c(C)s1 20015069 QYSYNIIEOGIHMZ-UHFFFAOYSA-N 381.482 4.582 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)c1cccc(OCc2ccccc2)c1 20046216 PQBNLMFLJXVWGT-UHFFFAOYSA-N 397.478 4.690 0 40 GJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccccc1F)CO3 20412236 FDYXOOCABPHKID-UHFFFAOYSA-N 395.474 4.978 0 40 GJAB CC(C)Oc1cccc(CNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 20495819 KGWFMDDFBZFEAX-LJQANCHMSA-N 380.532 4.636 0 40 GJAB COc1ccc(-c2nsc(NC(=O)c3oc4ccccc4c3C)n2)cc1OC 27989016 SFKPIJQTWOEGQC-UHFFFAOYSA-N 395.440 4.529 0 40 GJAB CCCOc1ccc(-c2nsc(NC(=O)c3ccccc3C)n2)cc1OC 28294403 AWMBEKSBJNLBKS-UHFFFAOYSA-N 383.473 4.563 0 40 GJAB O=C(Nc1cnn(Cc2ccccc2F)c1)Nc1ccccc1C(F)(F)F 32647502 WIHRRWHJRQEPGO-UHFFFAOYSA-N 378.329 4.733 0 40 GJAB C[C@H](Sc1ncnc2ccsc12)C(=O)c1ccc(Br)cc1 32850645 OQEPLMSYFJGQEY-VIFPVBQESA-N 379.304 4.817 0 40 GJAB COc1ccccc1OCCn1c(CCCN2CCCCC2)nc2ccccc21 32998872 FNICANKXSXBUPZ-UHFFFAOYSA-N 393.531 4.542 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSCc1cc(=O)c2cccc(F)c2[nH]1 33064197 YROYRYHITZFOML-UHFFFAOYSA-N 390.867 4.501 0 40 GJAB Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)c(O)c1 35615941 LLMGBEKEOYGEIO-UHFFFAOYSA-N 395.802 4.538 0 40 GJAB Cc1c(C(=O)N2CCOC23CCCCC3)oc2ccc(Br)cc12 35671084 WOGZLNRMWCGAQU-UHFFFAOYSA-N 378.266 4.637 0 40 GJAB COc1ccccc1C(=O)Nc1ccc(-n2nc(C)c3c(C)cc(C)nc32)cc1 36398336 LJRPRZAWKHLVNZ-UHFFFAOYSA-N 386.455 4.607 0 40 GJAB Cc1cc(I)ccc1NC(=O)[C@@H](C)Sc1ccccc1 36839100 UXPDNIUZABMNNY-GFCCVEGCSA-N 397.281 4.719 0 40 GJAB CN(Cc1ccsc1)C(=O)CN(Cc1cccs1)Cc1cccs1 40012085 YAXNIOURVXNQCI-UHFFFAOYSA-N 376.572 4.532 0 40 GJAB COc1cc(/C=C/C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cc(OC)c1 40071053 AVCLLBVCUJCEMG-YYVWFHOOSA-N 377.484 4.786 0 40 GJAB C[C@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3cccs3)c2c(=O)[nH]1 40388459 WTBMKIHBIZDIFM-VFNNOXKTSA-N 386.480 4.633 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(C)cc(=O)[nH]c2c1 49031087 JFYZWIOMSCGNBW-UHFFFAOYSA-N 393.830 4.706 0 40 GJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 59002988 GPDJONMNHYHANA-OCCSQVGLSA-N 377.271 4.542 0 40 GJAB C[C@H](OC(=O)c1cc(F)c(F)c(F)c1F)C(=O)Nc1cccc2ccccc12 61351687 PAXZDCMRYRTWRZ-JTQLQIEISA-N 391.320 4.580 0 40 GJAB Cc1ccccc1NC1CCN(C(=O)c2cc(C)n(Cc3ccco3)c2C)CC1 65529290 VAORWLPTZIBAEA-UHFFFAOYSA-N 391.515 4.771 0 40 GJAB O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccc(Cl)cc1 67293306 XADQSDDEJYKEHF-FLFQWRMESA-N 391.814 4.672 0 40 GJAB O=S(=O)(Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccc(Cl)nc1 89769885 SONDVIDNNAJLGK-UHFFFAOYSA-N 387.288 4.511 0 40 GJAB O=C1OCC[C@@H]1Sc1ccc(C(=O)N2CCCC3(CCCCCC3)C2)cc1 89781037 CKJJDJXLPWWHQN-IBGZPJMESA-N 387.545 4.671 0 40 GJAB Cc1noc(Cc2ccccc2NC(=O)NC(c2ccccc2)c2ccccc2)n1 96097087 VJZWQGXNFXYJAF-UHFFFAOYSA-N 398.466 4.880 0 40 GJAB COc1cc2ccccc2cc1C(=O)/N=c1\sc2cc(Cl)ccc2n1C 100837246 VTORHPKUAIUWRM-XDOYNYLZSA-N 382.872 4.796 0 40 GJAB O=c1[nH]c2c(s1)[C@@H](c1ccc(Br)cc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100864333 SQFALPKIUAOVMZ-IGJDLRFWSA-N 394.359 4.851 0 40 GJAB CCc1ccc(-c2csc(N3C(=O)[C@H]4[C@@H]5CC[C@H](C5=C(C)C)[C@@H]4C3=O)n2)cc1 100971003 TWJGMHCAJOYFQT-YKCBXCCJSA-N 392.524 4.854 0 40 GJAB C[C@H](NC(=O)c1cc(Br)ccc1OC(F)F)[C@H]1C[C@@H]2CC[C@@H]1C2 102003647 NCROOAVJCNIGNZ-SBFPOUOMSA-N 388.252 4.605 0 40 GJAB Oc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)c1 102829006 PZVFKUIUSYFCLE-FPOVZHCZSA-N 377.831 4.683 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)ccc1Cl 216236256 HAWYXCGHPPZBOI-GFCCVEGCSA-N 393.892 4.645 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1C 218858205 ZSLVNQPKFRVLSG-CYBMUJFWSA-N 396.712 4.976 0 40 GJAB CC(C)(C)c1ccc(CCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 224570235 KAAKWOGVIOTKQK-UHFFFAOYSA-N 379.544 4.781 0 40 GJAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225607607 IMMUUUFMRMEUBZ-WMZHIEFXSA-N 390.568 4.720 0 40 GJAB O=C(CSc1nc2ccccc2s1)NCc1ccnc(-c2cccs2)c1 238871010 MWYXUYOZVCWVTD-UHFFFAOYSA-N 397.550 4.828 0 40 GJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 260818174 WMGNRTUKRYXMPA-SFYKDHMMSA-N 390.568 4.577 0 40 GJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2ccccc2N)c1 408598749 APZJTLQKARQLGG-UHFFFAOYSA-N 391.496 4.560 0 40 GJAB Cc1ccc(-c2ccc(C(=O)NC(=S)NNc3ccccc3)o2)cc1Cl 408624821 CFGJBDATYOYLBU-UHFFFAOYSA-N 385.876 4.540 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2ccc(C)cc2C)cc1 409113895 GFOUGTKXEYVUJH-UHFFFAOYSA-N 381.497 4.992 0 40 GJAB CCCOc1c(Cl)cc(C(=O)N2CCC3(CC(OCC)C3)C2)cc1OCC 585082193 ZCZGXRLWPCJNSI-UHFFFAOYSA-N 395.927 4.559 0 40 GJAB CCc1c(C(=O)c2ccc(OC)cc2)oc2c(C)c3oc(=O)cc(C)c3cc12 641720 UOXKQEJFFGAMIB-UHFFFAOYSA-N 376.408 4.958 0 40 GJAB CCOc1cccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)c1 830160 ZDEMCZTUTVIIPI-UHFFFAOYSA-N 392.846 4.725 0 40 GJAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N(C(C)C)C(C)C)n12 902998 OFZCIVSWQIFFDR-UHFFFAOYSA-N 384.549 4.545 0 40 GJAB COc1ccc(C(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)cc1 908745 GLTLNGUYAXIHEF-UHFFFAOYSA-N 398.484 4.756 0 40 GJAB COc1cc2c(cc1NC(=S)NC(=O)/C=C/c1ccco1)oc1ccccc12 2234579 ZRQAKNFRMWACIU-CMDGGOBGSA-N 392.436 4.714 0 40 GJAB CCCCCCc1cc2cc(C(=O)Nc3cccc(OC)c3)c(=O)oc2cc1O 2266902 PJQJBVQFWIIZAI-UHFFFAOYSA-N 395.455 4.882 0 40 GJAB aggregator O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Cl)cc1 3237181 MNWKQCRQUDKQGS-UHFFFAOYSA-N 383.904 4.607 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)c3ccc4c(c3)OCO4)s2)c1C 3336572 GLMNSBIJORZKGW-UHFFFAOYSA-N 399.497 4.602 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCc1cccs1 3374258 BARACRNSDZAPGA-IBGZPJMESA-N 398.915 4.579 0 40 GJAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1c(F)cccc1F 3466772 PSZKMTDOKOAOGT-UHFFFAOYSA-N 397.402 4.951 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1OC 4176323 NSOHVKXIJGZOKR-UHFFFAOYSA-N 397.481 4.689 0 40 GJAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccccc1Br 4223988 SEKKGMCIXHWDGB-UHFFFAOYSA-N 387.258 4.717 0 40 GJAB Cc1sc2nc([C@H](C)Sc3ccc4c(c3)OCCCO4)[nH]c(=O)c2c1C 4485723 LPQVNNUKRQTQMF-LBPRGKRZSA-N 388.514 4.616 0 40 GJAB CCCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccco1 4861132 KYNZZUVECODYDB-UHFFFAOYSA-N 398.532 4.994 0 40 GJAB CC(C)c1ccc(CSc2nnc(S[C@H](C)C(=O)NC3CC3)s2)cc1 6000065 HAZVBZOTBUPTPA-GFCCVEGCSA-N 393.603 4.713 0 40 GJAB C[C@@H](OC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 6083830 IKBFHVIKCSBURN-CYBMUJFWSA-N 396.270 4.723 0 40 GJAB C[C@H]1C[C@H](C)CN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 6455825 GXXOWKVSFUEDIJ-BSJQURJQSA-N 397.603 4.872 0 40 GJAB COc1ccc(-c2nnc(SC[C@@H]3CCCCO3)n2-c2ccc(C)cc2)cc1 6610416 UVYGQCRTZOKCKU-FQEVSTJZSA-N 395.528 4.913 0 40 GJAB Cc1nnc(SCC(=O)c2cc(C)n(Cc3ccccc3Cl)c2C)s1 6834011 BHPFYIUAURNZHA-UHFFFAOYSA-N 391.949 4.942 0 40 GJAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 6880228 IJCOEMYTFJVUBZ-INIZCTEOSA-N 375.428 4.628 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC 6892280 CUQGSDSPHALGAX-UHFFFAOYSA-N 382.229 4.638 0 40 GJAB Cc1ccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)c(C)c1 7615998 VODZKSIYLKGSCZ-UHFFFAOYSA-N 392.480 4.639 0 40 GJAB Cc1ccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C 7645077 FMANTDJYLHVOSU-UHFFFAOYSA-N 380.513 4.698 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1 7649298 FFFCYURUQGHYAH-UHFFFAOYSA-N 380.488 4.600 0 40 GJAB Cc1ccc(Oc2ccccc2NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 7719407 VANGJGVWGFZLNM-UHFFFAOYSA-N 399.450 4.595 0 40 GJAB Cc1cc(C(=O)COc2cccc3c2CCC[C@@H]3O)c(C)n1Cc1cccs1 8751114 ZEUHXJYICDXWSK-NRFANRHFSA-N 395.524 4.846 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccc2c(c1)OCCCO2 8855733 MYXKISNFZUELAY-GDXASINISA-N 394.496 4.690 0 40 GJAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 9199105 GMZCJZMKQPZLFG-UHFFFAOYSA-N 387.892 4.661 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)c2c(C)c(C)sc2n1 9788725 HYWJVJIKKZHORS-TZMCWYRMSA-N 385.558 4.975 0 40 GJAB Cc1[nH]c(SCc2cc(=O)oc3c(C)c(O)ccc23)nc1Cc1ccccc1 9946499 KLOVULUWBUUAMM-UHFFFAOYSA-N 392.480 4.722 0 40 GJAB COc1ccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3Cl)n2)cc1 11377883 PNRSCBWZGNJTHY-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(NC(=O)C2CC2)cc1 12755902 OJKJKXLICFVGTC-UHFFFAOYSA-N 377.271 4.614 0 40 GJAB CCc1oc2ccccc2c1/C=C/C(=O)Nc1cc(OC)c(OC)c(OC)c1 15603958 IOOAKSQHHXQWBM-ZHACJKMWSA-N 381.428 4.673 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2n1-c1ccccc1 15913148 BVBFOYBORYKPQX-IRXDYDNUSA-N 379.529 4.907 0 40 GJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1nnc(CC(C)C)s1 17341775 PQZJHOQNNHKXPL-UHFFFAOYSA-N 376.482 4.560 0 40 GJAB O=C(N[C@H](C[C@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 19400891 ZXIGFMHJUXKYEJ-FYYLOGMGSA-N 395.522 4.623 0 40 GJAB CCN(CC1CC1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3ncccc3C)cc2)C1 19712665 QYLYXTLPNVPORQ-YADHBBJMSA-N 393.531 4.594 0 40 GJAB Cc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)c(C)c1 20450434 QEYCILBOZDIQRD-QFIPXVFZSA-N 379.525 4.988 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)n2)cc1 21631117 QRWDODDZFJTEBZ-OAQYLSRUSA-N 381.451 4.630 0 40 GJAB O=C(Nc1ccc(C(=O)n2cccc/c2=N\C2CCCCC2)cc1)c1ccccc1 22893712 ZJVJCWYOEUVIGW-WNAAXNPUSA-N 399.494 4.662 0 40 GJAB COc1ccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1OC1CCCC1 24506424 BPWYCQAXBLGBDF-UHFFFAOYSA-N 394.471 4.617 0 40 GJAB CCc1ccccc1Nc1nnc(SCc2ccoc2C(=O)OC)s1 24926180 FRBFVCOWQPRAFN-UHFFFAOYSA-N 375.475 4.516 0 40 GJAB Cc1cc(OCC(=O)N(Cc2cccc(F)c2)c2ccccn2)ccc1Cl 28291795 LCLKJNJOCXTWQP-UHFFFAOYSA-N 384.838 4.795 0 40 GJAB O=C(c1ccc2ncsc2c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32678936 PLXJPABFJQGTRQ-UHFFFAOYSA-N 380.469 4.610 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)CCSc2ccccc2F)c(OC)c1 32808855 PNICDDDFHSSIMX-GOSISDBHSA-N 389.492 4.689 0 40 GJAB C[C@H]1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)C[C@@H](C)O1 32975515 MXRNWFYDHNIZQG-OKILXGFUSA-N 394.298 4.822 0 40 GJAB CN(Cc1ccccc1N1CCCC1)C(=O)CCc1ncc(-c2ccccc2)o1 36686524 NMJBCQNJITVNDC-UHFFFAOYSA-N 389.499 4.533 0 40 GJAB CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1C 39607149 CHEVIOHQYBZYRU-HNNXBMFYSA-N 397.496 4.604 0 40 GJAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 40104455 ZXWPQYHLHSJFQL-UHFFFAOYSA-N 381.407 4.725 0 40 GJAB COc1ccc(OCc2cc(C(=O)N[C@@H](C)c3ccccc3OC)c(C)o2)cc1 40159556 HKBAIEJKUDTGOH-HNNXBMFYSA-N 395.455 4.675 0 40 GJAB Cc1cc2nc(N)sc2c(C)c1NC(=O)COc1ccc(C(C)(C)C)cc1 45890094 RCJYOVXCMVMRAD-UHFFFAOYSA-N 383.517 4.810 0 40 GJAB Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)s1 58341987 MAJKQSBDSRBGDB-OAHLLOKOSA-N 397.327 4.997 0 40 GJAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NC2CCCCCCC2)c1 68815016 XNHHIHYQNIUPBE-UHFFFAOYSA-N 386.565 4.514 0 40 GJAB COc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3Cc3cccc(F)c3)cc2c1 70005231 NBFOYLHMIFUTFN-LJQANCHMSA-N 378.447 4.538 0 40 GJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NC(=O)NC2CC2)cc1 71844365 WBFUKWNJOYOPRT-FCHUYYIVSA-N 391.515 4.769 0 40 GJAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C=O)C1CCCCC1 72215775 DVWCMTJHQUFJPZ-LJQANCHMSA-N 387.524 4.839 0 40 GJAB CC(C)NC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 72324936 QWNKCIOVTYAJMU-NRFANRHFSA-N 376.500 4.658 0 40 GJAB biogenic O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(Cl)cc1Cl 95471617 GTDAJTNKBAHHAP-UHFFFAOYSA-N 382.634 4.627 0 40 GJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 95482324 GLPAYSIXPOOLBW-AWEZNQCLSA-N 399.878 4.597 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)on1 100743795 MYIHMVWZFNMAJE-CALCHBBNSA-N 398.551 5.000 0 40 GJAB Cc1ccc(C2=C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1C 101071667 SITPCMSPWICDAD-SFHVURJKSA-N 381.277 4.713 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)c1ccccc1 219576491 ZDRGBZLOWBTIQH-HXUWFJFHSA-N 377.415 4.853 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C 222916502 RGDVFRCKWLLUPY-FQEVSTJZSA-N 383.488 4.875 0 40 GJAB Cc1ccc(S[C@@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224646698 QLLIBJGFBGCLIC-IBGZPJMESA-N 382.573 4.778 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)CSCc3cccc(Cl)c3)ccc21 225076160 WCZXCJMBULRGSK-UHFFFAOYSA-N 392.933 4.608 0 40 GJAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)C1 225429034 ABPWTMCGQBEVTO-MRXNPFEDSA-N 392.528 4.689 0 40 GJAB FC(F)(F)c1cc(NC(=S)NCCCOC2CCCC2)ccc1Cl 225619515 CTZMEXAAJLSOND-UHFFFAOYSA-N 380.863 4.995 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1cccc(Br)c1 225621637 BYUBYDNOMSIFOZ-KRWDZBQOSA-N 388.305 4.719 0 40 GJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(Br)cc1 225702477 VIAZXSWTAVEOMO-QGZVFWFLSA-N 391.334 4.822 0 40 GJAB CC[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)c1ccc(OC)c(OC)c1 225720711 OAILMBKTWGEIRF-GOSISDBHSA-N 388.533 4.929 0 40 GJAB CCCCC(=O)N1CCC[C@H]1c1ccc(C(=O)O)c(CCCc2ccccc2)n1 257238424 HKYJPZLRYRZSCQ-QFIPXVFZSA-N 394.515 4.809 0 40 GJAB CSc1ccccc1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408608027 LZRYCURZQUQQCR-UHFFFAOYSA-N 394.584 4.927 0 40 GJAB Cc1cc(C)c2nc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)sc2c1 408624817 CCFCUDYNOLSDAK-UHFFFAOYSA-N 389.933 4.622 0 40 GJAB CSCC[C@@H](NC(=O)[C@@H](CC(C)C)n1cccc1)c1nc2ccccc2n1C 575444532 UTGLJINURSAZPQ-UYAOXDASSA-N 398.576 4.573 0 40 GJAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccco1)c1cccs1 585146847 ZQBMFSMAVXGKRK-ZDUSSCGKSA-N 376.865 4.957 0 40 GJAB Cc1cc(C)nc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1 670917324 WJQAHOCBZYYXJJ-UHFFFAOYSA-N 388.349 4.552 0 40 GJAB COC[C@H]1CCCN(Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 1615055939 SMYWQTILLQIRTP-KRWDZBQOSA-N 375.459 4.792 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)Cc2ccccc2F)CN1c1ccc(F)cc1 1615122399 RFHRXCVNYCFUCP-QHCPKHFHSA-N 384.470 4.557 0 40 GJAB Cc1cc(F)ccc1CC(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615159118 SYSXNEQOYPYULX-DEOSSOPVSA-N 398.497 4.866 0 40 GJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)cc1 675518 HHNWVIVTQDTZJZ-UHFFFAOYSA-N 391.334 4.873 0 40 GJAB O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@H]1c1cccc(Cl)c1 845491 PVYYEFAQMDQUJL-IBGZPJMESA-N 389.929 4.930 0 40 GJAB CC[C@H](COC(=O)Nc1ccc(C)cc1)N1C(=O)CS[C@@H]1c1ccc(C)cc1 850770 GUUVHEDKCOVWEZ-TZIWHRDSSA-N 398.528 4.905 0 40 GJAB O=C(NCc1cccs1)c1cccnc1Nc1cccc(C(F)(F)F)c1 1340838 JERDYEIHLWIVHJ-UHFFFAOYSA-N 377.391 4.836 0 40 GJAB CCCN(C(=O)c1ccccc1OCC)c1nnc(-c2cccc(C)c2)s1 1345435 UILLUUXKZHMOTP-UHFFFAOYSA-N 381.501 4.969 0 40 GJAB O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccco1)C1CCCC1 1380108 QAGGKUXCROYGQQ-OAQYLSRUSA-N 398.478 4.604 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCCC2 2086544 XSOYSOLBHYIPJD-DLBZAZTESA-N 383.513 4.936 0 40 GJAB CC[C@@H](C)Sc1nnc(CSc2ncccn2)n1-c1ccc(Cl)cc1 2706187 ZJSLUKCWCVXTFS-GFCCVEGCSA-N 391.953 4.894 0 40 GJAB Cc1sc2ncn3nc(-c4ccc(COc5ccc(F)cc5)o4)nc3c2c1C 2791026 HUEOXXZLFRHZMJ-UHFFFAOYSA-N 394.431 4.934 0 40 GJAB COc1ccccc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 3163504 ZHPFGCYIDWXUDW-UHFFFAOYSA-N 376.437 4.930 0 40 GJAB COc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Cl)cc32)cc1OC 4129890 DAOZZMAOPWLTSN-UHFFFAOYSA-N 391.858 4.791 0 40 GJAB Nn1c(SCc2ccccc2Cl)nnc1SCc1ccccc1Cl 4622272 RAWNNZSLSYZAEW-UHFFFAOYSA-N 397.356 4.883 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)CSc1nncn1-c1ccccc1F 4891066 BPNWHNJBLNLXPI-AWEZNQCLSA-N 384.480 4.651 0 40 GJAB Cc1ccc(-c2nc(SCC(=O)NCCC(C)C)c3ccccc3n2)cc1 4895081 AJPPTSVAPBNIHK-UHFFFAOYSA-N 379.529 4.860 0 40 GJAB C=C1c2cc3c(cc2CCN1C(=O)c1cc(Cl)cc(Cl)c1)OCCCO3 5423087 ASAXCCRSWOYSLR-UHFFFAOYSA-N 390.266 4.824 0 40 GJAB C[C@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 5529396 LMCQZMDIVKVZMP-QMMMGPOBSA-N 383.300 4.531 0 40 GJAB Cc1ccc(NC2=NN=C(c3cc(C)n(C[C@H]4CCCO4)c3C)CS2)cc1 5859355 JJFYPOYPWYUNFN-GOSISDBHSA-N 382.533 4.511 0 40 GJAB COc1ccccc1CNC(=O)CSC(c1ccccc1)c1ccccc1 6288628 HNHCVVIKSAWDGZ-UHFFFAOYSA-N 377.509 4.834 0 40 GJAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2F)o1 6616871 QKMKZAMFWPLFGP-CQSZACIVSA-N 381.473 4.723 0 40 GJAB Cc1ccc(CN(C)c2nc(-c3cccnc3)nc3sc4c(c23)CCC4)o1 6786990 DGHAXTLYRILNBH-UHFFFAOYSA-N 376.485 4.780 0 40 GJAB CCN(CC)c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(OC)c1 7342851 AEWXSOCLMITDQF-UNOMPAQXSA-N 397.500 4.636 0 40 GJAB C/C=C/c1ccc(OCCCn2c([C@H](O)CC)nc3ccccc32)c(OC)c1 7425468 XCEQAUJTPZUSDZ-CWFIWJMMSA-N 380.488 4.991 0 40 GJAB COc1ccc(CNCc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1 7538594 WLLLLRLPVWCUOL-UHFFFAOYSA-N 398.890 4.621 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(F)cc1F 7595089 HPSMEGOKVNXCLU-UHFFFAOYSA-N 391.805 4.719 0 40 GJAB O=C(COc1ccccc1Cl)N[C@@H](c1ccc(F)cc1)c1cccs1 7889415 VPSDQAAYPKOOTB-IBGZPJMESA-N 375.852 4.825 0 40 GJAB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 8333080 OJIYAXZINZPIIO-NRFANRHFSA-N 396.826 4.691 0 40 GJAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)c(Cl)c2)n1 8477036 TYKSFAZKBVQTOM-UHFFFAOYSA-N 389.286 4.689 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1ccccc1Cl 8479042 UDFAMNWPURFVGD-KRWDZBQOSA-N 381.900 4.686 0 40 GJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)Cc3ccc(F)cc3)ccc1O2 9134970 ITNOTQVKYWQGLL-UHFFFAOYSA-N 376.387 4.673 0 40 GJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)COc3ccccc3F)ccc1O2 9135098 GHNVODRQWJTKEP-UHFFFAOYSA-N 392.386 4.510 0 40 GJAB O=c1c(NCc2ccc(Cl)cc2)nccn1-c1cccc(C(F)(F)F)c1 9320243 QLHATUWHZYCSSA-UHFFFAOYSA-N 379.769 4.517 0 40 GJAB CC(C)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 11241245 BOMRINFRXPKSNX-UHFFFAOYSA-N 379.485 4.700 0 40 GJAB CNC(=O)c1ccccc1Sc1ccc2c(/C=C\c3ccccn3)n[nH]c2c1 11616882 RITAVMQDGBJQJZ-XFXZXTDPSA-N 386.480 4.639 0 40 GJAB fda O=C(CSc1nnc(COc2ccccc2)o1)c1ccc(Cl)cc1Cl 12249429 SHEGOAIPKAWZJA-UHFFFAOYSA-N 395.267 4.930 0 40 GJAB CCN(CC)c1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 12528514 NIGHIZFEEZOENK-UHFFFAOYSA-N 380.467 4.727 0 40 GJAB COc1cccc(N[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)c1 12597491 AUOZWLRMGMKFES-NSHDSACASA-N 383.498 4.895 0 40 GJAB CCc1nc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cs1 12768399 RLGKPVYIKYPNQO-QHCPKHFHSA-N 394.540 4.870 0 40 GJAB O=S(=O)(c1ccccc1)N(Cc1cc(-c2cccs2)on1)c1ccccc1 12782247 HSQQLYIADXJQLC-UHFFFAOYSA-N 396.493 4.799 0 40 GJAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(NC(=O)c2cccs2)cc1 12865674 SEXCBJAXGSQYJQ-UHFFFAOYSA-N 388.395 4.854 0 40 GJAB CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(OC)cc1 12971597 VZVUKJPYAQMDJK-GFCCVEGCSA-N 387.509 4.507 0 40 GJAB COc1ccc(-c2cn3c(CCC(=O)NCC4CCCCC4)csc3n2)cc1 16848856 IJUCJEPPRAQPPG-UHFFFAOYSA-N 397.544 4.701 0 40 GJAB Cc1cccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)n1 18255996 PBEOMQUDAXPXEY-KGENOOAVSA-N 383.451 4.647 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)CCc1ccc(C(C)(C)C)cc1 19933231 XPOQXNRCBLMFDZ-UHFFFAOYSA-N 375.516 4.727 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1C 20047071 JNCQEKYXRYUIHF-OAHLLOKOSA-N 395.927 4.913 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2ccc(Cl)c(Cl)c2)C2CC2)c1 25803988 YIJLWYNXJSZHOZ-UHFFFAOYSA-N 380.271 4.815 0 40 GJAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 27919089 IAVXLKSOZGILRJ-QGZVFWFLSA-N 382.529 4.740 0 40 GJAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cccc(C)c1 28284355 HFRNLPBRGIIFFO-UHFFFAOYSA-N 381.453 4.771 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2ccnn2Cc2cccs2)cc(C)c1Cl 28404472 KJEKGUDOXFRMGS-CQSZACIVSA-N 389.908 4.669 0 40 GJAB C[C@@H](Sc1nc2sccc2c(=O)n1C)c1nc2ccccc2n1C(F)F 30546082 RLYVZRDXFYPYML-SECBINFHSA-N 392.456 4.593 0 40 GJAB COc1ccc(NC(=O)Cc2ccccc2Cl)cc1OCc1ccncc1 32832288 SFBHUAZILMLLNY-UHFFFAOYSA-N 382.847 4.504 0 40 GJAB C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1Cl 33665480 VDRFSJRCLIEJGW-QGZVFWFLSA-N 390.892 4.673 0 40 GJAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(Cc2ccccc2Cl)C1 38857372 NJSKAOXAGMFJME-KRWDZBQOSA-N 377.315 4.522 0 40 GJAB CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 40478390 HNGADVBPEDTXMJ-UHFFFAOYSA-N 384.277 4.502 0 40 GJAB Cc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc23)cc1F 44169694 XPTOUTPZPQWTBU-UHFFFAOYSA-N 381.476 4.615 0 40 GJAB O=c1[nH]c(CN2CC=C(c3ccccc3)CC2)nc2scc(-c3ccco3)c12 57327589 LUYGZQFTLVVWFK-UHFFFAOYSA-N 389.480 4.534 0 40 GJAB Cc1ccc(-c2cc3c4nnc(SCc5ccccc5)n4ccn3n2)cc1C 67260608 QJOCNHIGCAEKFN-UHFFFAOYSA-N 385.496 4.953 0 40 GJAB CC(=O)Nc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72348620 JMWJVWOIRKLMII-NRFANRHFSA-N 399.494 4.727 0 40 GJAB C[C@H](Sc1ccccc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 95481662 COPQXNDLDKIWJP-ZDUSSCGKSA-N 387.892 4.529 0 40 GJAB COc1ccc(N(C)c2ccc3ccc(C(=O)Nc4ccc(C)nc4)cn23)cc1 96146228 UPLUMYNSCATMMX-UHFFFAOYSA-N 386.455 4.672 0 40 GJAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@@H](c4cccnc4)C3=C(O)C2)cc1 102721974 QSQZKWXPNBEXBZ-HRAATJIYSA-N 387.439 4.994 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219359541 VGVZVQMYPWLSML-VQTJNVASSA-N 383.488 4.580 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1C 222664229 NWFNABWLOUVUGL-QHCPKHFHSA-N 395.524 4.688 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(C(=O)OC)ccc1Cl 222958584 LOOZNKMXDQOSGN-QGZVFWFLSA-N 375.852 4.540 0 40 GJAB Cn1c(=O)sc2cc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 225019996 ANUPFUXRYLJAIR-XVNBXDOJSA-N 379.268 4.559 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225342164 IDOGLGCFNSOGST-GFCCVEGCSA-N 382.287 4.821 0 40 GJAB COC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCCCCC1 225630728 OAZWJTUCPRYOBI-IBGZPJMESA-N 388.552 4.618 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225802496 GDYLOIIHGJKLNO-QGZVFWFLSA-N 381.501 4.926 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)cc1C(=O)OCC 225842333 LKTHNGKEXNGLHS-JOCHJYFZSA-N 393.524 4.966 0 40 GJAB CCOC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1 226333120 RGNFGNXNZYZEAI-PKNBQFBNSA-N 375.262 4.913 0 40 GJAB CCc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 408629249 SALVSJBYLOMYBD-HNNXBMFYSA-N 384.545 4.813 0 40 GJAB O=C(O)Cc1sc(=Nc2cccc(Cl)c2)[nH]c1-c1ccc(Cl)cc1 408885904 GPOXHNVMMRDRAH-UHFFFAOYSA-N 379.268 4.910 0 40 GJAB CC1(C)OC(=O)C([C@@H](c2cccc3ccccc23)c2c[nH]c3ccccc23)C(=O)O1 409117368 XOBXITQOMFAJBM-NRFANRHFSA-N 399.446 4.905 0 40 GJAB COc1ccc(Nc2nc(C(=O)N(Cc3ccccc3)C(C)C)cs2)cc1 607047852 NUFZXRVUROZYLV-UHFFFAOYSA-N 381.501 4.946 0 40 GJAB CCN(CC)c1ccc(NC(=O)COc2ccc(C)cc2Br)cc1 673697 FGIMVWOJUVYPMH-UHFFFAOYSA-N 391.309 4.621 0 40 GJAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)sc2c1 675040 XQYIBEZUVYKKGP-UHFFFAOYSA-N 388.876 4.798 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901083 CUHNRKKWXFFOAW-NWDGAFQWSA-N 383.439 4.558 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2ccc3cc(Br)ccc3c2)cc1 2069550 IEYWRKGKDIVORU-UHFFFAOYSA-N 377.259 4.678 0 40 GJAB Nn1c(SCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1Cl 2195330 BRUZBLHVDMWGKX-UHFFFAOYSA-N 385.707 4.911 0 40 GJAB C=Cc1ccc(COc2cc3oc(=O)c(CC(=O)OC)c(C)c3cc2Cl)cc1 2359457 SNBPJMLQAGOSPL-UHFFFAOYSA-N 398.842 4.692 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3ccccc3)cc2)cc1 3346776 PEEGWUVYHSBUCL-QGZVFWFLSA-N 388.467 4.907 0 40 GJAB O=C(COC(=O)c1ccccc1Oc1ccccc1)NCc1ccc(Cl)cc1 3380263 IBMZTMHURMZYRX-UHFFFAOYSA-N 395.842 4.606 0 40 GJAB CCc1onc(C)c1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 3441272 XOMRRWXZTNVQAW-UHFFFAOYSA-N 394.452 4.532 0 40 GJAB Cc1ccccc1OCC(=O)Nc1cccc(C(=O)Nc2ccccc2Cl)c1 3470930 LKQOVFLTEDNYCU-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB Cc1csc(SCc2cc(=O)c(OC(=O)c3ccccc3Cl)co2)n1 4518829 ROOOKIFVQOJFEC-UHFFFAOYSA-N 393.873 4.570 0 40 GJAB CCc1ccccc1NC(=O)N1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2 4888210 TZZXTHTXJRRGSL-SEJPIABJSA-N 391.515 4.596 0 40 GJAB O=C(C[S@](=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1Cl 5249185 AUBZSYNZVZOFKA-XMMPIXPASA-N 396.217 4.759 0 40 GJAB COc1ccccc1NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1 5475932 WIMSQHJOJPHNGJ-UHFFFAOYSA-N 390.464 4.989 0 40 GJAB O=C(Sc1nc2ccccc2nc1SC(=O)c1ccco1)c1ccco1 5777465 XGJDSEAGOYEJKD-UHFFFAOYSA-N 382.422 4.681 0 40 GJAB COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 6641682 XOZQFEQVRDICDF-IWFLJPMXSA-N 393.527 4.782 0 40 GJAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(OC[C@@H]2CCCO2)cc1 6647884 FRVUTMKYKQBQTA-HNNXBMFYSA-N 386.498 4.682 0 40 GJAB CC(C)(C)c1ccc(OC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1 6761967 XAGYXBLMWGWYMT-UHFFFAOYSA-N 385.467 4.996 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 6899744 WJDRAEIDUYQWGI-MRXNPFEDSA-N 397.902 4.673 0 40 GJAB CCOc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 6943775 DYUFDSFXYPKQFB-OAQYLSRUSA-N 388.467 4.585 0 40 GJAB CCCCNC(=S)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 7345547 FWSAUBLMROWVMP-KRWDZBQOSA-N 382.360 4.875 0 40 GJAB CCOc1ccc(N2C[C@@H](C(=O)Oc3ccccc3[C@@H](C)CC)CC2=O)cc1 7929206 RRUBUQXHTIVJKC-IRXDYDNUSA-N 381.472 4.557 0 40 GJAB O=C(Cc1c(F)cccc1Cl)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8316512 XBFVODXNIRADNK-UHFFFAOYSA-N 389.854 4.722 0 40 GJAB Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2cccc(Cl)c2)o1 8394601 SLHIIMOXQDKNOY-ZDUSSCGKSA-N 387.892 4.668 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1C 8410107 GFVHGGPSCSRNII-UHFFFAOYSA-N 397.544 4.885 0 40 GJAB CCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccncc3)cc2o1 8769089 FVDOXRRZTRGPRE-UHFFFAOYSA-N 386.407 4.506 0 40 GJAB biogenic CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)OCc3ccccc3)cc21 8959776 POFOLQXDSKXWSK-UHFFFAOYSA-N 396.487 4.843 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2nc(-c3cccs3)ns2)ccc1Cl 11917588 FVBCRWCBUWQUIH-SNVBAGLBSA-N 379.894 4.634 0 40 GJAB COc1ccc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)cc1OC(C)C 12345621 AXKHCVZFKKORAV-QRQCMCJISA-N 399.506 4.636 0 40 GJAB O=C(Nc1ccc(-n2cccn2)nc1)[C@H](Sc1ccccc1)c1ccccc1 12528466 LUWZKCPXYIDOPZ-OAQYLSRUSA-N 386.480 4.739 0 40 GJAB Cc1nc2cc(NC(=O)COc3ccc(Br)cc3Cl)ccc2o1 12822504 JUHPOBPMDGQMPO-UHFFFAOYSA-N 395.640 4.570 0 40 GJAB Cc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1C 12979140 YWALXHBJCLXJEA-LJQANCHMSA-N 375.490 4.572 0 40 GJAB COc1ccc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1OC 12999660 WSYOMUHKAPTGGN-UHFFFAOYSA-N 398.484 4.608 0 40 GJAB Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c1 13009902 NCOXGRPRWLSZRB-UHFFFAOYSA-N 399.458 4.667 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 13668729 DLWBFLRLVKNCDF-OAHLLOKOSA-N 377.937 4.968 0 40 GJAB O=C(O)c1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 13687890 IFFDLQOTQTZMDA-UHFFFAOYSA-N 381.815 4.870 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccccc2)cc1 20382350 QIBOKJCYIWWNQT-UHFFFAOYSA-N 388.492 4.988 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)CCc2ccc(OC)c(OC)c2)cc1 20460800 GRSYPIUUHFNXQT-FQEVSTJZSA-N 385.504 4.549 0 40 GJAB COc1ccc(C)cc1NC(=O)CSCc1csc(-c2ccccc2)n1 23885938 NNRJQMARCRYALF-UHFFFAOYSA-N 384.526 4.999 0 40 GJAB Cc1cc(NC(=O)Nc2ccccc2C(F)(F)F)n(-c2ccc(F)cc2)n1 28220010 LINXXCZQEUYKTB-UHFFFAOYSA-N 378.329 4.983 0 40 GJAB Cc1cccc2nc(CCSc3nc4ccccc4[nH]3)c(Br)n12 28465735 RFRWVERBZYCZDK-UHFFFAOYSA-N 387.306 4.616 0 40 GJAB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OC(C)C 28699956 CKGKOOMHUVIKGD-MHWRWJLKSA-N 384.863 4.990 0 40 GJAB COc1ccc(-c2nc(C(=O)N[C@H]3CCCC[C@@H]3C(F)(F)F)cs2)cc1 29611927 NLVUFCMIZUXULM-KBPBESRZSA-N 384.423 4.670 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)on2)cc1 31258365 UIVZRJXXFOBRLV-UHFFFAOYSA-N 386.455 4.546 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@@H]23)cc1 33795176 FNOCMOFJNDJIFM-MZYLBHOOSA-N 399.446 4.642 0 40 GJAB Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1 42208073 YICWPVYSJVLVJL-GFCCVEGCSA-N 388.493 4.849 0 40 GJAB Cc1c([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)oc2ccccc12 46651265 IQHWNHKPFLUKFI-CVEARBPZSA-N 396.512 4.532 0 40 GJAB Cc1cc(CNC(=O)Cc2csc(-c3ccc(C)o3)n2)c2[nH]c(C)c(C)c2c1 58421139 RSKZVOJCJJZTBX-UHFFFAOYSA-N 393.512 4.977 0 40 GJAB Cc1ccc(C)n1-c1nc(CC(=O)Nc2cc(C(C)(C)C)ccc2O)cs1 84191499 SCLWBASJQYTXEI-UHFFFAOYSA-N 383.517 4.735 0 40 GJAB O=C(CSc1ccc(F)cc1)N1CCC(CSCc2ccco2)CC1 90608390 AHJLYWOIDZWGGU-UHFFFAOYSA-N 379.522 4.683 0 40 GJAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cc(C2CC2)on1 96119759 XAGSARJMCHRUGP-UHFFFAOYSA-N 392.440 4.507 0 40 GJAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4cc(Cl)ccc4Cl)cc1c32 101078628 ZXSKSFVECCKVME-SNVBAGLBSA-N 375.255 4.642 0 40 GJAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3cc(Cl)cc(Cl)c3)c2c1 225755303 LUZBOERQYYBRGH-UHFFFAOYSA-N 375.255 4.564 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccccc3)CCCC2)c(C)c1 225864588 YKGRCVPWCLDTGI-UHFFFAOYSA-N 382.529 4.928 0 40 GJAB CC(C)N(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2sc(Cl)nc2c1 225980841 JWSPQJLOCHHVOT-UHFFFAOYSA-N 384.892 4.877 0 40 GJAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc2sc(NN)nc12 226311644 UPZZEJHEFYASBR-UHFFFAOYSA-N 388.496 4.661 0 40 GJAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c3c(cccc13)CC2 226861729 XWVBDJSZNZLFJX-UHFFFAOYSA-N 377.387 4.758 0 40 GJAB O=C(Nc1cccc(Cl)c1)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408697974 KNUTZTNNIMTFJO-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB O=C(CCCCCn1cccc1)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 604418783 CFEYTIVZSPVBPX-QHCPKHFHSA-N 386.499 4.831 0 40 GJAB FC(F)(F)COc1ccc(CN2CCC[C@]3(CCCc4ccccc43)C2)cn1 1641956942 WXYFNBVVLAGVOM-OAQYLSRUSA-N 390.449 4.893 0 40 GJAB CC(C)c1ccc(CN2CCCC[C@@H]2C2CCN(C(=O)OCCF)CC2)cc1 2056225573 RKFSUHXAMGULFN-JOCHJYFZSA-N 390.543 4.983 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4C)c(N)c3cc2C1 661932 CHLFIBYULZWDEB-ZDUSSCGKSA-N 395.528 4.963 0 40 GJAB CCC[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(N)=O)C1 672718 YLSJUMBQFKQHJX-NSHDSACASA-N 376.909 4.658 0 40 GJAB COc1cccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccc(C)cc2)c1 1370601 UKSFNFGETNNHFS-VXKWHMMOSA-N 393.531 4.711 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)c1ccnn1S(=O)(=O)c1ccccc1 1402525 HEJFANYCHUZBEM-LBPRGKRZSA-N 397.283 4.567 0 40 GJAB Cn1cnnc1-c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 1426072 IUTYNPFNIKAUJM-UHFFFAOYSA-N 382.467 4.643 0 40 GJAB Cc1ccc(C)c(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c1 2951295 LIKFTQQRWNRWAH-ATJXCDBQSA-N 375.453 4.991 0 40 GJAB O=C(CC1c2ccccc2Oc2ccccc21)NCCOc1ccc(F)cc1 3152031 MOPFZGNEHCKGHI-UHFFFAOYSA-N 377.415 4.649 0 40 GJAB O=C(COC(=O)Cc1ccccc1F)Nc1c(Cl)cc(Cl)cc1Cl 3311402 XRJCBNXWRALWSZ-UHFFFAOYSA-N 390.625 4.510 0 40 GJAB Cc1nnc(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)s1 3533875 FRDSEFFSDJDKRM-HNNXBMFYSA-N 383.542 4.556 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccccn2)n2c(nc3ccccc32)N1 4731515 HROJWVJAMQFEGM-QFIPXVFZSA-N 395.466 4.667 0 40 GJAB CC[C@@H](C)NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 5040000 JUUOJCRRITWVOP-LLVKDONJSA-N 375.494 4.504 0 40 GJAB CCCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1cccc(C)c1 5155768 AGKSZPPPCVSWHN-UHFFFAOYSA-N 381.501 4.742 0 40 GJAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1cccc(O)c1 5520829 MYFXLCKNIUOVOC-UHFFFAOYSA-N 376.334 4.880 0 40 GJAB CCOc1ccc(C(C)=O)cc1CSc1nnc(C)n1-c1ccccc1C 5619477 QHZXVKSBBDZBCS-UHFFFAOYSA-N 381.501 4.778 0 40 GJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Cl)c1 6752995 NZIQWFQQLKEHNU-HXUWFJFHSA-N 381.863 4.781 0 40 GJAB Cc1nnc(SCc2nc(-c3cccc(Cl)c3)no2)n1Cc1ccccc1 7112679 XODBDQGVSAAWGQ-UHFFFAOYSA-N 397.891 4.631 0 40 GJAB Cc1ccc(NC2=NN=C(c3ccc(NC(=O)CC(C)C)cc3)CS2)cc1 7849329 METVMWNBXTYDPJ-UHFFFAOYSA-N 380.517 4.899 0 40 GJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc2ncsc2c1 8076129 YQYWMRKKFYOTJE-UHFFFAOYSA-N 384.511 4.692 0 40 GJAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O 8475496 ZZIKRPFBCXKUTB-MRXNPFEDSA-N 384.435 4.886 0 40 GJAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1c(F)cccc1Cl 8533973 SBCUFXVKNBNHIN-LLVKDONJSA-N 388.792 4.957 0 40 GJAB Cc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NC(=O)NC(C)C)C3)c2C)cc1Cl 8636119 ZATPFTZLQQPPMS-IAGOWNOFSA-N 386.927 4.571 0 40 GJAB biogenic,in-vitro O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccc[nH]1 9583793 CDSKFYPBCCOHKU-UHFFFAOYSA-N 386.546 4.739 0 40 GJAB COc1ccccc1-c1ocnc1C(=O)NCC(c1ccccc1)c1ccccc1 12338304 SJQPESOSXLLGMD-UHFFFAOYSA-N 398.462 4.912 0 40 GJAB COc1ccc2c(C)cc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1 12639785 OGIHSIVRCGNDCD-UHFFFAOYSA-N 391.254 4.876 0 40 GJAB COc1ccc(-c2cc(CSCC(=O)Nc3ccc4c(c3)CCC4)on2)cc1 12813518 GDSPRCLJGVNPHY-UHFFFAOYSA-N 394.496 4.711 0 40 GJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccccc2)c1C(F)(F)F 12885380 VMNDJVUIFNLIJV-UHFFFAOYSA-N 389.421 4.590 0 40 GJAB O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccccc1F 13552361 RZQMVZWRUXAKBI-UHFFFAOYSA-N 382.247 4.827 0 40 GJAB CN(C)Cc1ccc(CNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)cc1 16181897 CHTKFDLKDYWZET-UHFFFAOYSA-N 378.447 4.610 0 40 GJAB COc1ccc(N(Cc2nc3ccccc3nc2C)C(=O)c2ccccc2)cc1 16265177 KIIVFGZCHWBNND-UHFFFAOYSA-N 383.451 4.794 0 40 GJAB O=C(Cc1coc2cc3c(cc12)CCC3)N[C@@H]1CCSc2c(F)cccc21 16300687 XVDCZJXOEKCJTC-LJQANCHMSA-N 381.472 4.956 0 40 GJAB Cc1cccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)c1 17122898 INDWSQMOVFHLMT-UHFFFAOYSA-N 394.525 4.855 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 18227745 WKEIUSUGCVYODT-CALCHBBNSA-N 392.474 4.801 0 40 GJAB Clc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)cc1 20121025 HWDHTIZWGYDUTQ-NRFANRHFSA-N 393.922 4.589 0 40 GJAB Cc1cc2ccccc2n1CC(=O)Nc1cccc(NC(=O)c2cccs2)c1 21142465 PQIMYYARHVVBIM-UHFFFAOYSA-N 389.480 4.902 0 40 GJAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccc(F)c(Cl)c1 22073054 ZCVGESIWGISJQO-UHFFFAOYSA-N 385.826 4.556 0 40 GJAB O=C(CSCc1ccc(F)cc1)NCCSCc1ccc(Cl)cc1 22524960 MDKPLEGSJZUTDZ-UHFFFAOYSA-N 383.941 4.762 0 40 GJAB COc1ccc(C[C@@H](NCc2ccccc2OC)c2ccc(OC)cc2)cc1 22789838 YJFNLCFEWDSLTQ-HSZRJFAPSA-N 377.484 4.786 0 40 GJAB CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCCCC3)c(O)n2n1 22853091 GLAUMZWFDJKYII-SFHVURJKSA-N 384.549 4.758 0 40 GJAB CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCC3)c2c1 23643461 XZZWYHJDXBLMNB-UHFFFAOYSA-N 380.513 4.539 0 40 GJAB Cc1nc(-c2ccc(Oc3nc(-c4ccncc4)nc4ccccc34)cc2)no1 24102872 PYIVQYXEEQQCDW-UHFFFAOYSA-N 381.395 4.843 0 40 GJAB CN(C)[C@@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccsc1 25331272 METJAYHASHGUEO-INIZCTEOSA-N 391.949 4.558 0 40 GJAB Cc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)N2CCCCCC2)cc1 27741400 SWZMKPUOWLZYRW-DEOSSOPVSA-N 394.559 4.724 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2C)cc1C 28183475 HLEFAWBPORWCHH-UHFFFAOYSA-N 376.909 4.576 0 40 GJAB O=c1nc(SCc2ccccc2Cl)c2c(n1Cc1ccccc1)CCC2 28286799 UOWKOKNJTXCIAU-UHFFFAOYSA-N 382.916 4.726 0 40 GJAB Cc1cccc2sc(C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)c(Cl)c12 32906366 PEJFDYZLJIGUNX-CYBMUJFWSA-N 396.903 4.935 0 40 GJAB O=C(NCc1cccc2ccccc12)Nc1ccccc1NC(=O)c1ccccn1 38490153 MDZRNRXXRLFWRP-UHFFFAOYSA-N 396.450 4.809 0 40 GJAB C[C@H](Cc1ccccc1Cl)NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 40112107 JQSANMWMOBZXSW-GFCCVEGCSA-N 389.883 4.688 0 40 GJAB CC(C)(C)[C@H](NCC(=O)Nc1ccccc1Br)c1ccccc1 40155738 WNIYJHMLXVHDLJ-GOSISDBHSA-N 375.310 4.765 0 40 GJAB O=C(Cc1ccc2c(c1)CCCC2)NC1CCN(Cc2ccc(Cl)cc2)CC1 45592109 WOGVGDIRVVKMRA-UHFFFAOYSA-N 396.962 4.542 0 40 GJAB Cc1cc(N2CCSCC2)ccc1N[C@H](C)C(=O)c1c[nH]c2ccccc12 51186814 BPULWOBWDGQDIJ-MRXNPFEDSA-N 379.529 4.713 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2CN2C(=O)c3cccc4cccc2c34)c1 57406587 KRKYIIDGIGPGNW-HXUWFJFHSA-N 388.467 4.612 0 40 GJAB Cc1ccc2nc([C@@H]3CCCN3C(=O)CCC(=O)c3cc(C)sc3C)[nH]c2c1 84208331 PAMLNYHOGAYDOH-IBGZPJMESA-N 395.528 4.876 0 40 GJAB Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@H]5C4)cc3)sc2c1 102435640 PTTZGSPKOUXGIM-SLUIBLPYSA-N 386.476 4.583 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219359605 VGVZVQMYPWLSML-PMACEKPBSA-N 383.488 4.580 0 40 GJAB COc1c(Cl)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl 222583902 BESGOEAKZBJUIH-JQAFLVLXSA-N 394.327 4.986 0 40 GJAB C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 222743010 LHBUALPBHSPVHU-GFCCVEGCSA-N 380.271 4.575 0 40 GJAB CSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 223089587 CZWJVPSATDRMJO-RGEXLXHISA-N 392.480 4.720 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 224968569 KLXNKISRNOPQOR-UHFFFAOYSA-N 391.559 4.836 0 40 GJAB O=C(c1ccco1)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225253725 HHPJZVVFGZLCNW-MHWRWJLKSA-N 387.461 4.806 0 40 GJAB CC(C)Sc1nnc(NC(=O)CCc2c(Cl)cccc2Cl)s1 225365158 VPPCPAWFUHTDNB-UHFFFAOYSA-N 376.334 4.917 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccc(C)cc2)cc1Cl 225389196 GWFHHLKOFJZTGM-UHFFFAOYSA-N 390.936 4.744 0 40 GJAB COc1cccc2cc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)oc12 225618623 VORSWQZUDYSNRY-UHFFFAOYSA-N 385.832 4.866 0 40 GJAB COc1c(F)c(F)c(C(=O)Nc2ccc(Br)c(C)c2)c(F)c1F 408622009 PDFOZUAAFRMYGI-UHFFFAOYSA-N 392.146 4.575 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 408657735 IZXACTIRPKIFEM-HKUYNNGSSA-N 379.500 4.889 0 40 GJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3c(O)ccc4ccccc34)S2)cc1 408772868 NRKKQBOAKPJSQV-WVWKGNOCSA-N 376.481 4.707 0 40 GJAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Cl 409018664 HZAYPCWZBLWVSO-CPNJWEJPSA-N 377.831 4.536 0 40 GJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 409380267 ATMZIQVNFGJUBE-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCn1ncc(NC(=O)NC(C)(C)c2nc3ccccc3s2)c1C(F)(F)F 529095579 KTJKFRNKIKCGNB-UHFFFAOYSA-N 397.426 4.588 0 40 GJAB Cc1ccc2c(c1)OC1(CCN(Cc3ncccc3C)CC1)[C@@H]1CCCO[C@@H]21 1615159379 VWWUYVRZNBYGPE-OFNKIYASSA-N 378.516 4.593 0 40 GJAB CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 1637390760 YBYNHIFTGZHYKX-MOPGFXCFSA-N 386.927 4.871 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccccc3)C3CCCC3)cc2c1 1224148 LWPCCEYGUUEJCZ-UHFFFAOYSA-N 391.540 4.978 0 40 GJAB CCc1cc2ccc(C)cc2nc1SCC(=O)NCc1ccc(OC)cc1 1340030 FUKGKXXUIOMAQN-UHFFFAOYSA-N 380.513 4.523 0 40 GJAB NC(=O)[C@H](c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl 1385491 NADSXBRKQWFWLV-NSHDSACASA-N 383.584 4.678 0 40 GJAB O=C(Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccc(Cl)cc1Cl 1671466 RGANGUYEXJUJML-UHFFFAOYSA-N 380.010 4.811 0 40 GJAB Cc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)cc1C 2122199 QUMOHPUPORNINA-UHFFFAOYSA-N 375.468 4.954 0 40 GJAB biogenic Clc1cccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)c1 2376353 TVOMLZLOOUGIGE-UHFFFAOYSA-N 381.642 4.529 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2c(C)cccc2C)c1C 2629511 YHTCJKHBVBZIFM-UHFFFAOYSA-N 376.456 4.518 0 40 GJAB O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1Cl 2635863 VMOQOZQZRVDRDF-UHFFFAOYSA-N 386.178 4.693 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1 2723713 BQZPFXYOEASECQ-UHFFFAOYSA-N 387.892 4.655 0 40 GJAB CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCO4)[C@@H]12 4025656 QICBLZXMSFTNCM-QKSXVSAESA-N 388.573 4.936 0 40 GJAB biogenic O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccccc2)s1 4072396 ZBVAKXOHUXYXOG-UHFFFAOYSA-N 380.256 4.529 0 40 GJAB COC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 4672774 QQYDVTPPLFOGAZ-UHFFFAOYSA-N 384.284 4.652 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)cc1OC 4881180 HGTAKHNZTCEAMX-UHFFFAOYSA-N 393.226 4.918 0 40 GJAB COc1ccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc1 4885430 BMCFCVXBZZIDCN-UHFFFAOYSA-N 385.895 4.574 0 40 GJAB COc1ccc(-c2nnc(SCc3cc(C)on3)n2-c2ccc(C)cc2)cc1 5259879 MASSEPJQFGEYPL-UHFFFAOYSA-N 392.484 4.840 0 40 GJAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(C(F)(F)F)cc3)cc12 5583351 OAVFDDRQALPKDP-UHFFFAOYSA-N 398.388 4.653 0 40 GJAB CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccc(OC)cc1 5853587 DVHHYFYECMDEKG-UHFFFAOYSA-N 393.921 4.664 0 40 GJAB O=C(Nc1ccccc1SCc1ccccc1)[C@H]1COc2ccccc2O1 7280939 BWOFPUWKGDDISL-HXUWFJFHSA-N 377.465 4.757 0 40 GJAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)no1 7635662 OGQOYFHRRSUPIG-CQSZACIVSA-N 390.468 4.713 0 40 GJAB Cc1nnsc1C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 7961905 HUMYSEXBDXYCCN-OAHLLOKOSA-N 396.903 4.543 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(C(F)(F)F)cc1 8009517 QKVAWTZYGHYLER-UHFFFAOYSA-N 387.405 4.780 0 40 GJAB O=C(COc1ccc(F)cc1Cl)N[C@@H](c1ccccc1)c1cccs1 8070186 DTJAPKUUYWZVNS-IBGZPJMESA-N 375.852 4.825 0 40 GJAB Cc1cc(Br)cc(C)c1NC(=O)COC(=O)c1cccc(Cl)c1 8336019 NIPQSEIXBSMQKS-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nccn2-c2ccc(C)cc2C)cc1 8424689 IOVYJQLIVCAPED-KRWDZBQOSA-N 393.512 4.811 0 40 GJAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1Cl 9461248 WFLQIUSKMRVIJB-UHFFFAOYSA-N 382.891 4.932 0 40 GJAB O=C(COc1ccc2ccccc2c1)NCc1ccccc1CN1CCCCC1 10281877 XXFOVXNWLKSCER-UHFFFAOYSA-N 388.511 4.521 0 40 GJAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1 12196884 LTMPRLUDPLXDPX-XXBNENTESA-N 390.439 4.848 0 40 GJAB C/C=C/c1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(OC)c1OC 12628440 OKHVQQKLWDUZLL-RRGNZLCHSA-N 391.471 4.591 0 40 GJAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Br)s1 14186199 AAPXXWWIUNGUAA-UHFFFAOYSA-N 387.107 4.618 0 40 GJAB Cc1ccccc1NC(=O)COc1cccc2ccc(N3CCC[C@H](C)C3)nc12 17135943 ZNIDWRRDEAGAPG-KRWDZBQOSA-N 389.499 4.797 0 40 GJAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)c1ccc(F)cc1 17156515 VRYVGUNPIJUCNM-UHFFFAOYSA-N 377.346 4.991 0 40 GJAB biogenic Cc1ccnc(NC(=O)c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)c1 20426664 URGVAYHXZIKVGA-CQSZACIVSA-N 378.272 4.514 0 40 GJAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCc1cccc(F)c1)CO3 20479123 VVEXEGGTTWNNQC-UHFFFAOYSA-N 387.838 4.597 0 40 GJAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)Nc1cccs1 22507571 WOJRZPSPXSKWME-UHFFFAOYSA-N 377.469 4.872 0 40 GJAB CCN(C(=O)c1cccc(OC[C@H]2CCCO2)c1)c1nc2ccccc2s1 26908996 ZUDMAVUFEGVGJM-QGZVFWFLSA-N 382.485 4.521 0 40 GJAB CCCCCn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 27789110 SZUIQDKBJDHODX-GOSISDBHSA-N 379.479 4.882 0 40 GJAB Cc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 28292182 NJZHIXOZGJHJHI-GOSISDBHSA-N 391.515 4.943 0 40 GJAB CCc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1 28527910 VNEHUXSPNILHBB-UHFFFAOYSA-N 389.503 4.806 0 40 GJAB Cc1c2c(cc3c1OCN(Cc1ccccc1)C3)OCN(Cc1ccccc1)C2 31628860 LYSLZLPNMUMCSG-UHFFFAOYSA-N 386.495 4.699 0 40 GJAB Cc1cc2nc(C)c(CCC(=O)N(C)[C@@H](C)c3cc4ccccc4o3)c(C)n2n1 32753947 FPHFRDMKIPDBMC-KRWDZBQOSA-N 390.487 4.553 0 40 GJAB Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)oc2c1C(=O)CC(C)(C)C2 32932589 CLBOYAHQCLAFBN-UHFFFAOYSA-N 381.428 4.772 0 40 GJAB COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(F)cc2)OC3=O)cc1 33026879 SBCYKLWSIGDGSN-OAQYLSRUSA-N 391.398 4.541 0 40 GJAB COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(F)cc2)OC3=O)cc1 33026882 SBCYKLWSIGDGSN-NRFANRHFSA-N 391.398 4.541 0 40 GJAB CCOc1ccccc1[C@@H]1c2cc3c(cc2O[C@@](C)(N2CCCC2)[C@@H]1C)OCO3 33701658 LPWYMVXRDVBDOS-GRFCFPJTSA-N 395.499 4.786 0 40 GJAB COc1cc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)ccc1OC(F)F 49546178 AQFYMZITHCLFLM-OAHLLOKOSA-N 399.397 4.665 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3c(F)cccc3N3CCCC3)cc2)n1 68298974 YJBVBIHTWSCHHE-UHFFFAOYSA-N 392.478 4.540 0 40 GJAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1 70640004 FNGCNDHBIRSKOK-FQEVSTJZSA-N 385.385 4.836 0 40 GJAB FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccncc3)C2)c1 72358568 RPSRVNYFBNQJNC-SFHVURJKSA-N 398.432 4.937 0 40 GJAB COC(=O)c1occc1[C@H]1N(C)c2ccccc2C(=O)N1c1ccccc1Cl 83881767 PMHVXMSAIHXOTC-IBGZPJMESA-N 396.830 4.515 0 40 GJAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 84023013 IQVJVKIMPUVYOC-SSDOTTSWSA-N 385.367 4.542 0 40 GJAB CCCOc1ccc(C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)cc1OCCC 84758619 ARASCLTVOWACHH-GHTZIAJQSA-N 399.531 4.549 0 40 GJAB CN(C(=O)c1ccc(Cl)o1)c1cccc(NC(=O)c2ccc(Cl)o2)c1 95953241 IHEQZGMEZRQBMT-UHFFFAOYSA-N 379.199 4.708 0 40 GJAB Cc1cc(C)cc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2cccs2)c1 100423811 MRGKAEJOUFUMCV-RTBURBONSA-N 385.602 4.847 0 40 GJAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)n1 170569236 FSCQLVAMDYQINM-UHFFFAOYSA-N 397.276 4.852 0 40 GJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccsc1-c1nc(C2CC2)no1 206668386 UKQDWYYAEWPYPB-UHFFFAOYSA-N 393.390 4.876 0 40 GJAB COc1ccc([C@H]2CCCCN(C(=O)c3cc(-c4cccs4)[nH]n3)C2)cc1 206882953 PPMWLYVGHAVCCM-INIZCTEOSA-N 381.501 4.557 0 40 GJAB COc1cccc(NC(=O)Nc2ccccc2-c2cn3ccsc3n2)c1OC 206908612 OJWRQDSNRUKYNL-UHFFFAOYSA-N 394.456 4.724 0 40 GJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)c1 218824987 KEINXWOOLWMIET-OAHLLOKOSA-N 376.294 4.631 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 219028329 YPQYMJHEJSYCPH-SFHVURJKSA-N 377.484 4.755 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219596452 LWKSYLCDJDSVHD-WOJBJXKFSA-N 383.488 4.580 0 40 GJAB O=C(COc1cccc2cccnc12)N(Cc1ccccc1)Cc1ccccc1 223135817 NIZQSXAYBHUSEX-UHFFFAOYSA-N 382.463 4.843 0 40 GJAB COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223756863 LDXKCKAGJKSYFP-QMHKHESXSA-N 379.500 4.535 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccc(C)c(Cl)c1 224184141 LFJJBJJLIYUZQB-LJQANCHMSA-N 375.896 4.618 0 40 GJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)s2)c1 224518780 XGDYSJLKMQLJPU-RTBURBONSA-N 381.526 4.637 0 40 GJAB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)cc1 224852359 NVQMPXMZRGCITC-UHFFFAOYSA-N 383.469 4.703 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C(=O)OC 225831612 DWFYZTIEODDVSU-OPAMFIHVSA-N 391.508 4.576 0 40 GJAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1cc2ccccc2s1 244983794 IRDPNINDSTUYAS-IBGZPJMESA-N 385.535 4.690 0 40 GJAB CCn1c(COc2ccccc2F)nnc1SCc1ccccc1Cl 409386323 SBUXDVMNXCCWGQ-UHFFFAOYSA-N 377.872 4.962 0 40 GJAB Cc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)C3CCCCC3)CC2)n1 585262578 FVSBYRAKNPRUDF-UHFFFAOYSA-N 399.564 4.580 0 40 GJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C(C)C)cc1 679744 NQPLZBYJWDFIDJ-UHFFFAOYSA-N 378.428 4.916 0 40 GJAB O=C(Nc1ccccc1Cl)c1c(NC(=O)C(F)(F)F)sc2c1CCC2 837710 OJWUCIBDMOEWTB-UHFFFAOYSA-N 388.798 4.643 0 40 GJAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCC1 900987 JJWFFRWHTYYLAQ-ZDUSSCGKSA-N 395.450 4.656 0 40 GJAB Fc1ccccc1CSc1nnc(COc2ccc(Br)cc2)o1 905454 RIPIJCVQZMCKGV-UHFFFAOYSA-N 395.253 4.843 0 40 GJAB COc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 1336865 AGFXCPNCENYMKA-UHFFFAOYSA-N 388.920 4.640 0 40 GJAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1C(C)C 1364176 CNAXLFCCOHLVHB-UHFFFAOYSA-N 380.517 4.878 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cccs1)c1ccccc1 3395820 PCWHNIQQINBIRF-IBGZPJMESA-N 381.453 4.684 0 40 GJAB CCc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1 4734722 OUHRORGJKJFLDZ-NRFANRHFSA-N 375.472 4.839 0 40 GJAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 8959636 QASKCOBLCFNXPE-UHFFFAOYSA-N 386.879 4.754 0 40 GJAB C[C@H](C(=O)N[C@H](CO)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9052735 GSGIRQPJSSVRGZ-RCDICMHDSA-N 392.886 4.928 0 40 GJAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccco2)cc1C 9159551 PGKOAPMFORITQN-UHFFFAOYSA-N 386.451 4.893 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cccc(-n2cccc2)c1 9322100 SLYFUPRIMDXZNB-UHFFFAOYSA-N 384.483 4.552 0 40 GJAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C)cc1 9357848 FWOLLGZGELEEQR-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB COc1cccc(Nc2nnc(SCc3ccc(-n4cccn4)cc3)s2)c1 9379210 WFBSQSKYQVDHOM-UHFFFAOYSA-N 395.513 4.768 0 40 GJAB CCCCNC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 9576502 LRFYWHIXASMNSX-UHFFFAOYSA-N 399.874 4.717 0 40 GJAB O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccccc1F 9660066 KCSHSKUGXBFIGI-UHFFFAOYSA-N 377.346 4.991 0 40 GJAB biogenic Cc1c(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)oc2ccccc12 11913971 NKMJDRWFSOGIOH-UHFFFAOYSA-N 377.400 4.831 0 40 GJAB Cc1c(C(=O)N[C@H](c2ccccc2)c2nccn2C)oc2ccc(Cl)cc12 12602113 HJHZMUNPNDNIEI-GOSISDBHSA-N 379.847 4.648 0 40 GJAB Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 12787680 LXCDKFHDBHHDQU-SFHVURJKSA-N 388.467 4.504 0 40 GJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC[C@H]2CCCC[C@@H]2C1 12896567 KESFVYMUBIQWRS-UYAOXDASSA-N 386.499 4.587 0 40 GJAB CC(C)[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 12981620 JPXBHFLGLFLUNJ-HXUWFJFHSA-N 393.405 4.533 0 40 GJAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2OC)cc1OCC 15654047 GCMWNQJEBATGMQ-XYOKQWHBSA-N 385.460 4.543 0 40 GJAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1n[nH]c2ccccc12 17911249 HRMBBQHLJZGARC-KRWDZBQOSA-N 386.480 4.668 0 40 GJAB COc1ccccc1-c1noc(C)c1C(=O)N[C@H](C)CCc1ccc(F)cc1 19579661 ZCOGBIWTYGQSCX-CQSZACIVSA-N 382.435 4.549 0 40 GJAB Cc1ncc(CN2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)s1 19693479 JCVJBGYWBQXFJZ-FQEVSTJZSA-N 385.920 4.740 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20144160 BOLBLOPWHNUTGD-UHFFFAOYSA-N 392.238 4.763 0 40 GJAB COc1ccc([C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1OC 20457019 VZMOENHZSHPTPH-GFCCVEGCSA-N 397.899 4.607 0 40 GJAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1ccc2c(c1)OCO2 21790257 YNPQVOXYZASTQZ-UHFFFAOYSA-N 396.855 4.555 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)Nc1cccs1 22503150 OMWJQQOAJOSJBN-UHFFFAOYSA-N 377.469 4.985 0 40 GJAB O[C@@H](COc1ccc(Cl)cc1)CN(Cc1cccc(F)c1)Cc1ccco1 28580840 JFBUPNSEJLOYHQ-LJQANCHMSA-N 389.854 4.514 0 40 GJAB CCCCc1oc2ccccc2c1CN(C)C(=O)c1cc2ccccc2c(=O)[nH]1 30028588 UVBSZHBYZWJVQR-UHFFFAOYSA-N 388.467 4.889 0 40 GJAB O=C(CSc1nc2ccccc2o1)Nc1ccc(N2CCCCCC2)cc1 35310921 VFZPQXGTEGSTBV-UHFFFAOYSA-N 381.501 4.939 0 40 GJAB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 40086869 GCHJQEWKCUXELX-VXKWHMMOSA-N 398.591 4.579 0 40 GJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 40104604 KNPWCBXLLKROEZ-ZDUSSCGKSA-N 396.882 4.553 0 40 GJAB CCN(CC)CCOc1ccccc1NC(=O)c1ccc(Cl)cc1Cl 42698878 SINPSDUKJZITNG-UHFFFAOYSA-N 381.303 4.966 0 40 GJAB CN(C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccccc1 44910216 RTPOOGUUTGFYTQ-MRXNPFEDSA-N 377.315 4.868 0 40 GJAB Cn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2cc(Cl)ccc21 48342803 DFKOCCUTHXHXBJ-UHFFFAOYSA-N 397.834 4.559 0 40 GJAB O=C1CSC(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)=N1 51330506 WEYCYEKZTKUHIW-ZZIVKNFNSA-N 387.508 4.912 0 40 GJAB COC(=O)CCNc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 51330974 RHWNIVWSGQBRNQ-UHFFFAOYSA-N 376.243 4.579 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364575 OQJXXPDSHAYYTH-MRXNPFEDSA-N 394.858 4.507 0 40 GJAB O=C(OCc1ccccc1)N1CCC2(CC1)CNc1ccc(C(F)(F)F)cc12 51943324 PNSJIMGELGYKPZ-UHFFFAOYSA-N 390.405 4.801 0 40 GJAB CSc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 58426242 LHXCUWHVHTWZJG-SNVBAGLBSA-N 376.532 4.591 0 40 GJAB CS(=O)(=O)c1ccc(Oc2nc(-c3ccsc3)nc3ccccc23)cc1 60847928 WAOIGGNJLUONBW-UHFFFAOYSA-N 382.466 4.554 0 40 GJAB COc1ccc2cc([C@H]3CC(c4ccsc4)=NN3C(C)=O)c(Cl)nc2c1 71924257 TWPRVOWACHKMED-GOSISDBHSA-N 385.876 4.656 0 40 GJAB N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 72227826 CNRKGSCIISQDGE-UONOGXRCSA-N 376.070 4.715 0 40 GJAB C[S@@](=O)Cc1c(C(=O)Nc2ccc3ncccc3c2)sc2ccccc12 89493124 SOTNUODZRLBFRZ-SANMLTNESA-N 380.494 4.580 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Oc2ncccc2Cl)CC1 96024842 NMKBSPHGBHEOMT-UHFFFAOYSA-N 399.800 4.829 0 40 GJAB CC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccccc2)c1 100419727 WCOZCRYTFNNJML-DHIUTWEWSA-N 391.515 4.596 0 40 GJAB Cc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C(=O)Nc2ccccc2C)cc1 100426116 UWPSEQITPSCBTK-NHCUHLMSSA-N 391.515 4.651 0 40 GJAB COc1ccccc1N1C(=O)/C(=C\Nc2ccccc2C)c2ccccc2C1=O 102996219 AGNIJXUDFGGFGX-CYVLTUHYSA-N 384.435 4.644 0 40 GJAB Cc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 113952077 FGMJLOOBADBWMD-UHFFFAOYSA-N 391.342 4.830 0 40 GJAB CC(C)C(NC(=O)COc1ccc2ccccc2c1Br)C(C)C 218902419 YJSPSAGWNAFKGQ-UHFFFAOYSA-N 378.310 4.778 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 219562652 GDYXLWUDWXSCND-PMACEKPBSA-N 385.504 4.765 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)ccc1Cl 223639424 VAMVPULQSPYKQK-INIZCTEOSA-N 383.875 4.764 0 40 GJAB Cc1cc(C)cc(OCCNC(=O)c2cccc(OCc3ccccc3)c2)c1 224085394 LOBDRQSSXYGLGB-UHFFFAOYSA-N 375.468 4.691 0 40 GJAB O=C(CSCc1cccc2ccccc12)NCCOc1ccc(Cl)cc1 224953527 PLKLUCVWLBEYKY-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB COc1cccc(O[C@@H](Cc2ccccc2Sc2ccccc2)C(=O)O)c1 225131497 NHHZLMOPELOCBL-FQEVSTJZSA-N 380.465 4.921 0 40 GJAB COC(=O)c1cccc(NC(=S)NCCCSC2CCCCC2)c1C 225590814 UPAOJVCCISNFLC-UHFFFAOYSA-N 380.579 4.524 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)OC)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 408625098 WHGPWRAPZPTTBR-TZOBPFOUSA-N 391.467 4.556 0 40 GJAB Cc1ccccc1CSCCNC(=O)CCCOc1ccc(Cl)cc1 408706017 SVIMWLNSYMQYAT-UHFFFAOYSA-N 377.937 4.857 0 40 GJAB CC(C)([C@H](NCc1ccc2c[nH]nc2c1)c1ccc(F)c(F)c1)N1CCCC1 660238262 GKHNTJISOQRYSN-OAQYLSRUSA-N 384.474 4.546 0 40 GJAB COc1ccc(Br)c(CN2CCn3cccc3[C@H]2c2ccccc2)c1 1615938915 FZTKUJIAQNIDFN-OAQYLSRUSA-N 397.316 4.864 0 40 GJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(Cl)cc1 625299 KUPPURTUDQUJNZ-SFHVURJKSA-N 386.904 4.613 0 40 GJAB COc1cccc(NC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 674717 OCKJSKGCHDDCQJ-UHFFFAOYSA-N 392.293 4.907 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1cc(Cl)cc(Cl)c1 847135 WORZXDYIABISFD-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB CC(=O)Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccccc2)cs1 1404988 SKPZPNHGZVHMKN-UHFFFAOYSA-N 378.432 4.760 0 40 GJAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc3ccc4ccccc4n23)cc1 1924302 RJWJIYPZDFZESS-AWEZNQCLSA-N 376.485 4.564 0 40 GJAB CC(=O)C1=NN(c2ccccc2)[C@H](c2cccs2)N1c1ccc(N(C)C)cc1 2224510 DIRMVUNPEOPZFD-JOCHJYFZSA-N 390.512 4.742 0 40 GJAB aggregator COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 2637574 ITILXRCCKNWZGM-UHFFFAOYSA-N 387.423 4.812 0 40 GJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c3ccccc3n2)o1 3365828 ADFLIUMYGJCWIP-QHCPKHFHSA-N 399.494 4.836 0 40 GJAB CC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(OCc2ccccc2)cc1 3437248 YRMMVZILHPEABB-UHFFFAOYSA-N 393.414 4.625 0 40 GJAB CCc1ccc(-c2ccc(SCC(=O)Nc3ccc(C(C)=O)cc3)nn2)cc1 4356254 IZCBZWFVZLKYAJ-UHFFFAOYSA-N 391.496 4.639 0 40 GJAB N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(=O)O 5049232 BSTXYLCINUXYQF-HXUWFJFHSA-N 397.927 4.777 0 40 GJAB COc1cc(OC)c(NC2=C[C@@H](c3ccc(Cl)cc3)OC2=O)cc1Cl 5159080 GRIXNBIXONGNOO-HNNXBMFYSA-N 380.227 4.605 0 40 GJAB COc1ccc(OC)c2sc(N(Cc3ccccc3)C(=O)c3ccco3)nc12 5299748 SEYHGTTVIQVNRA-UHFFFAOYSA-N 394.452 4.754 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1sccc1C)c1ccccc1 5967155 HDWJNDUQUMQIHX-LJQANCHMSA-N 395.480 4.910 0 40 GJAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1Cl 7720402 LBFDJCRSZPMKJL-UHFFFAOYSA-N 382.634 4.627 0 40 GJAB C[C@@H](Cc1nnc(NC(=O)COc2ccc(Cl)cc2)s1)c1ccccc1 9095457 RJJXUHZNEQIKLZ-ZDUSSCGKSA-N 387.892 4.555 0 40 GJAB COc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)cc1 9436401 TWFGNMLMXNPMAZ-QHCPKHFHSA-N 381.435 4.835 0 40 GJAB CCOc1ccc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 9734418 SVZFBSWYDTWQMD-UHFFFAOYSA-N 392.333 4.511 0 40 GJAB Cc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3C(C)C)n2)cc1 10864824 CPDGZZKGRMBBNW-UHFFFAOYSA-N 392.484 4.628 0 40 GJAB C[C@H](CN[C@@H](Cc1ccsc1)c1nccs1)Cc1ccc2c(c1)OCO2 12220800 MIJLLFWNPXKPLQ-YOEHRIQHSA-N 386.542 4.686 0 40 GJAB O[C@@H](c1ccccc1)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 12376021 OSGOZHKZSWELNI-NRFANRHFSA-N 378.859 4.850 0 40 GJAB CCN(c1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1)C(C)C 12553992 DSPHYDXJJHVCDM-HSZRJFAPSA-N 391.515 4.824 0 40 GJAB CSc1ncccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 12754869 JPRAVNCYSFZUSE-OAHLLOKOSA-N 391.496 4.547 0 40 GJAB Cc1cc(Br)c(OCc2c(C)noc2C)c(Br)c1 12784087 XXEOSPAJHZEZDC-UHFFFAOYSA-N 375.060 4.704 0 40 GJAB CCOc1ccc(-c2[nH]nc3nc(-c4ccc(CC)cc4)cc(C(=O)O)c23)cc1 13363518 WOOJKHUXGNFDQJ-UHFFFAOYSA-N 387.439 4.951 0 40 GJAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 14094369 MUKLLGNPGXCBMN-UHFFFAOYSA-N 375.428 4.629 0 40 GJAB Cc1ccc(/C=C/c2nc(=S)n(CN(Cc3ccc(F)cc3)C3CC3)[nH]2)o1 14189477 GNFIZGYHSMDGIZ-ZHACJKMWSA-N 384.480 4.774 0 40 GJAB COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 16042923 XOZQFEQVRDICDF-FZSQWFJSSA-N 393.527 4.782 0 40 GJAB biogenic CCOc1c(-c2coc3ccc(C(=O)OC)cc23)oc2ccc(C(=O)OC)cc12 16740612 GJYKLKJFVZEHCX-UHFFFAOYSA-N 394.379 4.818 0 40 GJAB biogenic O=c1cc(CN(Cc2cccs2)C[C@@H]2CCCO2)c2cc3c(cc2o1)CCC3 17308024 BZBIUIKVBGMNRA-IBGZPJMESA-N 395.524 4.524 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2ccc(CO)o2)c1 20144753 NAUNXRMERMSHPX-UHFFFAOYSA-N 385.847 4.888 0 40 GJAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(Cl)cc2)C4)cc1 20632587 AHWZVRWMNVXOFF-MRXNPFEDSA-N 388.858 4.666 0 40 GJAB CCn1cc(C(=O)Nc2cccc(C)c2C)c(=O)c2cc(C(F)(F)F)ccc21 22236721 VRKWIWOJYQXCHP-UHFFFAOYSA-N 388.389 4.909 0 40 GJAB O=C(OCC(=O)c1cc(F)ccc1F)c1ccc(-c2ccc(F)cc2)s1 23266628 ZAAGYYOYEXNVQQ-UHFFFAOYSA-N 376.355 4.872 0 40 GJAB O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1OCc1ccc(F)cc1 23693822 AWPLJOSFCCPTIM-HXUWFJFHSA-N 377.415 4.658 0 40 GJAB C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@](=O)Cc1cccc(Cl)c1 24829299 FTWPSMBKSKPHQB-PWECECGKSA-N 377.937 4.913 0 40 GJAB C[C@@H](Sc1noc(-c2cccc(Br)c2)n1)C(=O)c1ccccc1 28527142 DMGPIQPTUIBXTI-LLVKDONJSA-N 389.274 4.863 0 40 GJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc1O 36358218 UGEGOIWZIDMGLU-GFCCVEGCSA-N 387.798 4.503 0 40 GJAB O=C(Cn1cnc2scc(-c3ccccc3Cl)c2c1=O)c1ccccc1 36646070 PDCMAZVDUCREJL-UHFFFAOYSA-N 380.856 4.661 0 40 GJAB O=C(Nc1nccs1)[C@@H](Oc1ccccc1Br)c1ccccc1 40140107 SNYXQUVDLCYHEU-HNNXBMFYSA-N 389.274 4.664 0 40 GJAB COc1cccc(NC(=O)Cn2c(Cc3ccccc3C)nc3ccccc32)c1 40301317 GCIKFQAIRWYQAM-UHFFFAOYSA-N 385.467 4.583 0 40 GJAB O=C([C@@H]1CC=CCC1)N(Cc1ccc(Br)cc1)Cc1ccccn1 48333483 VKVBPVNFGAFEQP-QGZVFWFLSA-N 385.305 4.729 0 40 GJAB CCOC(=O)c1cc2cc(NC(=O)N3CCC[C@@H]3c3ccncc3)ccc2s1 48374631 MNCDKPVGLPTFNZ-QGZVFWFLSA-N 395.484 4.842 0 40 GJAB Cc1cc(NC(=O)c2ccccc2Cl)cc(C)c1I 57316152 KOGGVZLSHDQDRQ-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB O=C(c1cccc(OCc2ccc(F)cc2)c1)N1CCC[C@@H](c2nccs2)C1 67047611 QAXHXDXNKVEWCV-GOSISDBHSA-N 396.487 4.881 0 40 GJAB O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1ccccn1 67259362 XRNWKKUZYBUIJZ-UHFFFAOYSA-N 393.899 4.786 0 40 GJAB C[C@@H]1CCCC[C@@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 71084646 YGBJSIBWMAKQPS-CMJOXMDJSA-N 379.456 4.559 0 40 GJAB O=C(NCCCSc1ccccc1)Nc1cccc(OCc2ccccn2)c1 71850103 QAHVVVACYNXJEP-UHFFFAOYSA-N 393.512 4.965 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)cc1 72303714 RHPBASXJUDVZSI-QFIPXVFZSA-N 385.479 4.571 0 40 GJAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 72378957 ZQUBOIAQDCUHEV-NRFANRHFSA-N 388.515 4.687 0 40 GJAB COCc1cc(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)ccc1F 95960605 TZZLBDLWXLUYJD-UHFFFAOYSA-N 379.435 4.596 0 40 GJAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1cccc(F)c1 100156386 YZPCMSKXALADJZ-OKILXGFUSA-N 385.464 4.641 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 105606821 CJNIRBOGIIDHOU-IAGOWNOFSA-N 383.488 4.534 0 40 GJAB CCOc1ccc(CNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222724914 TZICXUACEWOHCX-UHFFFAOYSA-N 384.328 4.942 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1cccc(OC)c1 222929852 GHQGPXBWJUAULW-JOCHJYFZSA-N 383.532 4.899 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 222971347 RBVCJJPIGGUCNE-VQTJNVASSA-N 397.515 4.888 0 40 GJAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COCc1ccccc1 224461111 JMPGNNPZIZVMRH-UHFFFAOYSA-N 383.394 4.943 0 40 GJAB CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224931547 RIXHMQQNSTUUFW-UHFFFAOYSA-N 384.206 4.837 0 40 GJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1cccc(C(F)(F)F)c1 225569473 ZRSBRPJKFZEUQA-UHFFFAOYSA-N 398.233 4.632 0 40 GJAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 226253096 GZISLDFUROHAAU-QGZVFWFLSA-N 395.547 4.963 0 40 GJAB COc1cc([C@@H]2CN(Cc3ccc(F)cc3)[C@@H]3CCC[C@@H]23)cc(OC)c1OC 248147181 XPFKCAOXTKOTDL-SLFFLAALSA-N 385.479 4.620 0 40 GJAB Cc1cc2nc3s/c(=C\c4cn(C(C)C)c5ccccc45)c(=O)n3c2cc1C 409389595 CDIOIOKRXWHKAI-NHDPSOOVSA-N 387.508 4.609 0 40 GJAB C[C@@H](NC(=O)c1ccc(-c2cnn(C)c2)o1)c1ccc(Oc2ccccc2)cc1 1125608787 ZQBZMKFFNKJFTR-MRXNPFEDSA-N 387.439 4.963 0 40 GJAB CC(C)c1ccc(CN2CCC[C@]3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 1615118130 APVUZOSUYZLUIC-VWLOTQADSA-N 392.543 4.598 0 40 GJAB C=CC(=C)OCCSC(C)(C)SCCOC(=O)Nc1ccc(CO)cc1 1775953400 HCWRZUOZWXESHS-UHFFFAOYSA-N 397.562 4.646 0 40 GJAB O=C(Cc1c(F)cccc1Cl)NC[C@H](O)c1ccc(-c2ccsc2)s1 1775966014 OYVZDAUNDFBDEU-HNNXBMFYSA-N 395.908 4.661 0 40 GJAB CC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCCc2ccccc21 1337720 OQJDZHBUVCELLP-IBGZPJMESA-N 381.911 4.624 0 40 GJAB C[C@H]1C(=O)N(Cc2ccccc2F)c2ccccc2N1C(=O)c1ccc(F)cc1 1385974 OUTVBKQZTFALFQ-HNNXBMFYSA-N 392.405 4.547 0 40 GJAB CCC[C@@H]1Cc2c(sc3nc(SCCc4ccccc4)nc(N)c23)CO1 2214438 PNEYHODAPQNVMQ-CQSZACIVSA-N 385.558 4.850 0 40 GJAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccs1 2220959 HQOWYWHNVMASHB-UHFFFAOYSA-N 399.328 4.581 0 40 GJAB COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)cc1 2351358 BXRDRFAACQWCQV-GOSISDBHSA-N 383.451 4.626 0 40 GJAB COc1cc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c(OC)cc1Cl 2465888 LDQANNNXGOLCPZ-NSHDSACASA-N 392.883 4.749 0 40 GJAB CCCCCC(=O)N[C@H](Oc1ccc(C(C)=O)cc1)C(Cl)(Cl)Cl 2702018 JUTRORTZNUMURN-OAHLLOKOSA-N 380.699 4.661 0 40 GJAB COc1ccc(OCCSc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 3353645 GWLPXUYLMSCLFI-ZDUSSCGKSA-N 386.542 4.996 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccccc1 3515709 NGNDGYXJTUAKSC-SNVBAGLBSA-N 399.082 4.618 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1Cl 4588772 IPLUFCLOAXYULF-OAHLLOKOSA-N 384.907 4.938 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc3c(c2)OCO3)on1 4880955 OMWWZDAAKMQCEQ-UHFFFAOYSA-N 377.183 4.629 0 40 GJAB Cc1cnc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)s1 4967237 BPHJKHHAFDSQSS-UHFFFAOYSA-N 381.935 4.959 0 40 GJAB Cc1sc2nc([C@@H](C)OC(=O)c3cccc4ccccc34)[nH]c(=O)c2c1C 5639922 IGAURKAFVSZZLP-GFCCVEGCSA-N 378.453 4.673 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 5863896 ILQRDOUYTLUMKR-UHFFFAOYSA-N 376.909 4.553 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(Oc2ccccc2)c1 6083531 ZOSGHLPEECWUOH-KRWDZBQOSA-N 387.435 4.614 0 40 GJAB CCSc1nnc(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)s1 6540316 MQINWLWVAONFJV-UHFFFAOYSA-N 385.942 4.753 0 40 GJAB Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2nc3ccccc3[nH]2)n1 6657707 DZBPVSGTZXSVML-UHFFFAOYSA-N 389.484 4.514 0 40 GJAB CC(C)(C)c1ccc(OCc2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1 6693045 JELVHEURSITVPU-UHFFFAOYSA-N 396.491 4.652 0 40 GJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc2noc(-c3ccccc3)c2c1 6988693 ZVWMVNIRJRUAJT-UHFFFAOYSA-N 397.434 4.874 0 40 GJAB COc1ccc(-c2nnc(SCc3nnc(C)o3)n2[C@@H]2CCCC[C@@H]2C)cc1 7432860 YEGLYRXKCMPUFU-SUMWQHHRSA-N 399.520 4.689 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1 7688025 PAHTUZRCGVTZBU-AWEZNQCLSA-N 385.514 4.545 0 40 GJAB COCCn1c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)nc2ccccc21 8134563 OCYSMCUZFUSDEF-CQSZACIVSA-N 379.485 4.528 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CSc3nc4ccccc4o3)c2)cs1 8184670 AIIVSIKQVTWYIA-UHFFFAOYSA-N 381.482 4.991 0 40 GJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 8273464 KOFAHUKVEJNKTD-UHFFFAOYSA-N 399.494 4.798 0 40 GJAB Cc1[nH]c(S[C@@H](C)C(=O)NCCC2=CCCCC2)nc1Cc1ccccc1 8706523 HDTNBEFXWMITNJ-KRWDZBQOSA-N 383.561 4.796 0 40 GJAB c1cncc(-c2nc(NCCc3ccc(-n4cccn4)cc3)c3ccccc3n2)c1 8729190 OQAYPBVFDVMDDX-UHFFFAOYSA-N 392.466 4.532 0 40 GJAB CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)c1 8917232 BWNYJVZYKUXNLN-HXUWFJFHSA-N 377.440 4.537 0 40 GJAB CCN1C(=O)c2cc(NC(=O)c3ccccc3F)ccc2Oc2ccccc21 9134616 JHVAQMMVWRAOCM-UHFFFAOYSA-N 376.387 4.850 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1Cl 9979624 LBIJUCCNQJZESO-UHFFFAOYSA-N 385.851 4.610 0 40 GJAB CCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1 10110869 PMBGNZYSKCQBLQ-UHFFFAOYSA-N 377.937 4.721 0 40 GJAB COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3ccc(C)cc3C)ccc2c1 12748864 SHFVZDOZIBYVGZ-GOSISDBHSA-N 376.500 4.924 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1N1CCCC1=O 12775235 LRAVEXYUEYRJKK-UHFFFAOYSA-N 382.769 4.738 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)c2c(C)c(C)sc2n1 12818504 CYKWSVNVISFDHO-JTNHKYCSSA-N 377.579 4.602 0 40 GJAB Cc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2cnccn2)cc1 16789561 ZBXJTBYJIWFPOG-UHFFFAOYSA-N 395.438 4.603 0 40 GJAB COc1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)cc1 18006404 ROQJBOUYPYTZEQ-PXLXIMEGSA-N 384.435 4.644 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 20144666 HSYIQUVRLAAFST-QMMMGPOBSA-N 388.634 4.751 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC(C)C 20492979 UDJUADPOUURZTJ-JOCHJYFZSA-N 390.483 4.774 0 40 GJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1cccc(F)c1)CO3 20610383 VBUUMXRODHHJRM-UHFFFAOYSA-N 381.447 4.588 0 40 GJAB biogenic COc1cccc(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)c1OC 22066021 YMTQTGYCKNLLNC-UHFFFAOYSA-N 393.468 4.869 0 40 GJAB Cc1ccc(C)c(-n2nnnc2SCc2ncc(-c3cccc(Cl)c3)o2)c1 24047704 OAMKBJDVJFUNIK-UHFFFAOYSA-N 397.891 4.880 0 40 GJAB O=C(COc1ccc(F)cc1F)N1c2ccccc2OC[C@H]1c1ccccc1 24237766 FYJHUKOYVAGVNC-IBGZPJMESA-N 381.378 4.511 0 40 GJAB Cc1nc(COc2cccc(C(=O)OCc3cc(-c4ccco4)on3)c2)cs1 24359779 JKNKOQJCMLSPKT-UHFFFAOYSA-N 396.424 4.636 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccccc2)c1 28291331 RCJJILXARBGJOI-SFHVURJKSA-N 377.488 4.769 0 40 GJAB O=C(c1ccccc1Oc1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1 31176833 SYFLWVRJVRFTST-QFIPXVFZSA-N 377.415 4.832 0 40 GJAB C[C@@H](NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)[C@H]1CCCO1 36758245 WYVPAHPKCOCIIY-CRAIPNDOSA-N 378.497 4.774 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 39477552 BATYBJNUTQQNDA-UHFFFAOYSA-N 389.274 4.783 0 40 GJAB Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccc(F)cc2)c2ccccc2)cc1 39585254 JLSRVOMLDZIHIT-QFIPXVFZSA-N 377.415 4.600 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(Br)cc1 40002602 AUGLELXPNMLYIA-KGLIPLIRSA-N 391.309 4.526 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1 44901515 HQPQLIURXUZLRK-NRFANRHFSA-N 377.440 4.813 0 40 GJAB CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccc(OC)cc2)cn1 47323973 GYOXBJPXWMCTIR-UHFFFAOYSA-N 393.443 4.603 0 40 GJAB O=C(OCc1ccccc1)N1CCC[C@H]1c1cccnc1N1CCCCCC1 72216698 XLYFKQCHIZZSGE-NRFANRHFSA-N 379.504 4.936 0 40 GJAB COCCn1ccc2cc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)ccc21 84067701 YFPYIOHDQBZSJN-UHFFFAOYSA-N 394.471 4.597 0 40 GJAB CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCSc4ccccc43)cc12 84169935 MIQVQZUWRPBESP-INIZCTEOSA-N 381.501 4.778 0 40 GJAB COCc1nc(C)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)s1 89559503 FSCPJQAEHSWEGB-UHFFFAOYSA-N 379.894 4.627 0 40 GJAB Cc1c(C(=O)N[C@@H](Cc2ccccc2)Cc2c[nH]cn2)oc2ccc(Cl)cc12 89568193 GKFNDDAEHVLHBE-KRWDZBQOSA-N 393.874 4.702 0 40 GJAB CC(C)(C)[C@H]1CC(c2cccc(Br)c2)=NN1C(=O)c1ccco1 97105849 JOBIFBCFGGNNQO-MRXNPFEDSA-N 375.266 4.707 0 40 GJAB C[C@H](NC(=O)c1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 102320675 VNMBCNYYGSCKPZ-QGZVKYPTSA-N 376.500 4.942 0 40 GJAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4C)CC3=Nc3ncnn32)cc1 102663391 LZTXVHVEHHLRKN-OPAMFIHVSA-N 386.455 4.660 0 40 GJAB O=S(=O)(c1ccccc1)N(Cc1c(F)cccc1Cl)c1ccccc1 107726903 RGBRHANXFAIIRW-UHFFFAOYSA-N 375.852 4.875 0 40 GJAB COC(=O)c1c(C)n(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc12 216749057 RWXKNBLNLQHPDN-UHFFFAOYSA-N 392.238 4.762 0 40 GJAB C[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 222733709 TWBPONZOQAWAQP-CQSZACIVSA-N 391.920 4.861 0 40 GJAB CCCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223368274 KLKGTISWLBKAOZ-NFBKMPQASA-N 394.559 4.650 0 40 GJAB Cc1cccc([C@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc2)c1 223482427 YRKCXBDCOBATIJ-XMMPIXPASA-N 385.507 4.949 0 40 GJAB COc1ccc(OCc2cc(C(=O)Nc3ccc(C)cc3)ccc2OC)cc1 224263563 MJYCBKJGHIEXHN-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C 225179026 YHTTZUVTDHHPKW-UHFFFAOYSA-N 384.501 4.532 0 40 GJAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CCc1ccc(Cl)cc1 225312679 FPECGRLFIGWMMF-UHFFFAOYSA-N 390.270 4.635 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl 225370560 ZCAQPNWINNJDHF-UHFFFAOYSA-N 393.314 4.951 0 40 GJAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)cc1C(=O)OC 225824732 CDSZFAIABDTQCS-NRFANRHFSA-N 379.497 4.576 0 40 GJAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 243946349 RXKOZSWANMXDLN-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB O=C(NCc1ccc(F)cc1Cl)c1ccc2c(c1)NC(=O)c1ccccc1N2 253473886 ZLQZSAQDPJFOJN-UHFFFAOYSA-N 395.821 4.718 0 40 GJAB CC(C)(C1CCC(O)CC1)C1CCC(OC(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1 255187643 FVGCHUVBRJOKEW-LLDUWRKLSA-N 394.552 4.557 0 40 GJAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(CC3CC3)CC2)c1 257213983 CJXWDSPUIPAKPW-UHFFFAOYSA-N 390.571 4.785 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)n1 257243824 IISGXUJUIZWZNB-KRWDZBQOSA-N 395.890 4.642 0 40 GJAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1F 408557032 MOQRPKBVFWKZPE-UHFFFAOYSA-N 394.446 4.772 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(F)c(C)c2)cc(Br)c1OC 408621753 PJYDBNUIOJTBKA-UHFFFAOYSA-N 382.229 4.556 0 40 GJAB COc1cc(NC(=O)c2cc(Cl)cc(Cl)c2OC)c(OC)cc1Cl 408623967 VWEANEDTZRATIG-UHFFFAOYSA-N 390.650 4.925 0 40 GJAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2c(F)cccc2Cl)S1 408812327 SGOBYAJWYHSFAH-UHFFFAOYSA-N 398.266 4.904 0 40 GJAB CCOc1ccc(OC(=O)c2ccc(COc3ccccc3OC)cc2)cc1 409182718 OFGHWKXDVSHOGQ-UHFFFAOYSA-N 378.424 4.892 0 40 GJAB O=C(O)CCc1cccc(NC(=O)c2ccccc2COc2ccccc2)c1 558681273 RQUGPMVJZWCOHT-UHFFFAOYSA-N 375.424 4.535 0 40 GJAB CCOc1cc(-c2nc(O)c3ccccc3n2)cc(Br)c1OCC 575410905 KZBUMLYAFALJQI-UHFFFAOYSA-N 389.249 4.562 0 40 GJAB FC(F)(F)c1cccc([C@H](NCc2nc(-c3cccnc3)no2)C2CCC2)c1 585081337 HGGLNODXSFIFEG-GOSISDBHSA-N 388.393 4.781 0 40 GJAB Cc1cn(C2CCCCC2)[nH]c1=NC(=O)NCc1ccccc1CC(F)(F)F 626496351 RTQQWXFMGMPLAP-UHFFFAOYSA-N 394.441 4.545 0 40 GJAB CC(C)CCOc1ccc([C@H](C)NC(=O)Nc2cnn(-c3ccncc3)c2)cc1 673862276 JHRIFUFVZDHCPA-KRWDZBQOSA-N 393.491 4.575 0 40 GJAB CC[C@H](Sc1nc2ccc(N)cc2s1)C(=O)Nc1ccc(C(C)=O)cc1 787322 OMXKVJCHPLFHRE-INIZCTEOSA-N 385.514 4.591 0 40 GJAB CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc(C)cc1 866302 KYOAQPADFBFYIN-UHFFFAOYSA-N 383.513 4.774 0 40 GJAB CCC[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 1588843 JZWLSXINEVHWEP-RWMBFGLXSA-N 388.460 4.535 0 40 GJAB biogenic,in-vitro Cc1ccc([C@@]2(CCNCc3ccc4c(c3)OCO4)CCOC(C)(C)C2)cc1 1855391 MOBQVFPHKQFCJV-DEOSSOPVSA-N 381.516 4.730 0 40 GJAB biogenic CCCOC(=O)c1c(NC(=O)c2cccc(OCCC)c2)sc2c1CCC2 2750565 JHHNFOOCUIGEEX-UHFFFAOYSA-N 387.501 4.845 0 40 GJAB O=C(Cc1ccc(Nc2nc(=S)[nH]c3ccccc23)cc1)NC1CCCC1 2949213 WLJWYYPEXHVUDX-UHFFFAOYSA-N 378.501 4.637 0 40 GJAB COc1ccc(CC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 2961245 FCTCTWRWJDRXDG-UHFFFAOYSA-N 375.453 4.548 0 40 GJAB COc1cc(CNC(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC 3073517 DABLJSGGQRAJND-UHFFFAOYSA-N 383.488 4.690 0 40 GJAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc(-c2ccccc2)cc1 3402526 OFIOHWRNHSJHDL-UHFFFAOYSA-N 386.480 4.665 0 40 GJAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1ccc(Cl)nc1 4089568 VUMIELRDHFFTRT-LICLKQGHSA-N 392.842 4.815 0 40 GJAB COc1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)cc1 4496606 KNLIBUSQRYFJTG-UHFFFAOYSA-N 389.864 4.520 0 40 GJAB C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)N1CCCC1 4588352 FMETUSSVMCACEX-AWEZNQCLSA-N 381.476 4.539 0 40 GJAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ncc(Cl)c(Cl)c1Cl 4766959 DIBDEEOTIAQWPN-UHFFFAOYSA-N 383.618 4.563 0 40 GJAB O=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccc(C(F)(F)F)cc1 5137548 OSXLZOBHYACDLM-UHFFFAOYSA-N 394.393 4.941 0 40 GJAB CSc1ccccc1NC(=O)COc1ccc(Br)cc1Cl 5829918 OFYHUWZXIWLFTE-UHFFFAOYSA-N 386.698 4.842 0 40 GJAB CC(C)(C)c1ccccc1NC(=O)COC(=O)/C=C/c1ccc2ccccc2n1 6597813 XRFUEYUIJVNYPU-CCEZHUSRSA-N 388.467 4.727 0 40 GJAB Cc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1NC(=O)c1ccco1 6649411 XNONCNCBQJECKS-KRWDZBQOSA-N 392.480 4.807 0 40 GJAB O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCN(c2ccc(O)cc2)CC1 6822714 YFYYKMJZZJHFSO-UHFFFAOYSA-N 398.915 4.737 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)COCc1cc(-c2cccs2)on1 6876605 AYKQIEVRMCMHBA-UHFFFAOYSA-N 392.864 4.529 0 40 GJAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 7928894 RZSWEOHLJJHIBN-SFHVURJKSA-N 391.854 4.966 0 40 GJAB CC(C)c1cc(=O)[nH]c(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)n1 8017794 WMLNCOJPLGDQQC-UHFFFAOYSA-N 391.862 4.901 0 40 GJAB COc1ccc2oc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)c(C)c2c1 8062696 DZMFVOJSIPXTJX-INIZCTEOSA-N 385.485 4.633 0 40 GJAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccccc1Cl 10499818 RTLVRWRHLUWSQV-UHFFFAOYSA-N 399.903 4.552 0 40 GJAB O=C(COc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3s2)CC1 11999829 LWZQWFBXLWAENO-UHFFFAOYSA-N 386.904 4.735 0 40 GJAB Cc1ccccc1OCCSc1nc(COc2ccc(Cl)cc2)n[nH]1 12770051 ZFMRBURDZGQBPW-UHFFFAOYSA-N 375.881 4.517 0 40 GJAB CCN(C(=O)c1cccc(OCc2cn3cccc(C)c3n2)c1)c1ccccc1 12822661 FIFPURDUULZDOL-UHFFFAOYSA-N 385.467 4.888 0 40 GJAB COc1ccc(CCC2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 12910661 CPBIZBNDEHLMQX-UHFFFAOYSA-N 394.559 4.904 0 40 GJAB CC(C)c1noc([C@@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 12928495 BIDRMQWRNZZBCO-GFCCVEGCSA-N 398.513 4.807 0 40 GJAB C[C@@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1ccccc1F 13122497 SCHCVAYLURUHGR-CJTWTEFWSA-N 389.430 4.707 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1ccccc1Br 13667650 RSCPFUJTOKOHOZ-ZDUSSCGKSA-N 376.319 4.660 0 40 GJAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2oc3c(Cl)cccc3c2C)c1 14241662 PULCXIXTDBYPPA-UHFFFAOYSA-N 384.863 4.722 0 40 GJAB CC(C)c1ccccc1OCC(=O)Nc1nnc(SCc2ccccc2)s1 14582506 URZVCXXOOTUZSY-UHFFFAOYSA-N 399.541 4.971 0 40 GJAB Fc1ccc(-c2cnc(SCCCc3nc(-c4ccncc4)no3)o2)cc1 14903191 XWWKZRUKYKKUTE-UHFFFAOYSA-N 382.420 4.651 0 40 GJAB COc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3Cl)cs2)cc1OC 15425649 MVXZTCIIOASUJP-UHFFFAOYSA-N 392.839 4.872 0 40 GJAB Cc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)cc1C 17052916 SBOHOVSJLYRXGM-UHFFFAOYSA-N 384.487 4.776 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1OC 20459534 KEWZMQBTGXKOBL-IBGZPJMESA-N 399.531 4.535 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)no2)cc1F 21524856 SNBUVLXNXLLXDI-UHFFFAOYSA-N 396.418 4.854 0 40 GJAB Clc1ccc(C2=Nn3c(Cc4ccccc4)nnc3SC2)cc1Cl 22764599 GHUPEWHXCGIZBN-UHFFFAOYSA-N 375.284 4.534 0 40 GJAB O=C(CCCc1cccs1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24932800 XTAGMBKJXLRCGD-FQEVSTJZSA-N 379.529 4.509 0 40 GJAB O=C(c1csc2c1CCCC2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 27153954 UDZZJLJGJXATLD-SFHVURJKSA-N 383.513 4.766 0 40 GJAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)CCn3ccc4ccccc43)o2)cc1 28325023 ZFORGUZHDQVHHB-MRXNPFEDSA-N 375.428 4.694 0 40 GJAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2ccccc2c1 31405302 UVBAIJIJUPXZHI-OXJNMPFZSA-N 392.524 4.631 0 40 GJAB Cc1nc(NC(=O)c2ccc(F)cc2)sc1-c1nc(-c2ccc(F)cc2)no1 31815497 XSUPKMIRNVGYQD-UHFFFAOYSA-N 398.394 4.699 0 40 GJAB Cc1ncc(NC(=O)Cc2cccs2)n1-c1nc(-c2ccc(F)cc2)cs1 32615919 GJYIGVVQIDIVSV-UHFFFAOYSA-N 398.488 4.686 0 40 GJAB CC(=O)Nc1ccc(SC[C@H](O)COc2ccc(C(C)(C)C)cc2C)cc1 32751025 WFNHOYGMOXSXHU-LJQANCHMSA-N 387.545 4.783 0 40 GJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2ncc(-c3ccccc3)o2)c1 32912010 FHPPSHPQJQBHBI-UHFFFAOYSA-N 393.443 4.619 0 40 GJAB COc1ccc(NC2=NC(=O)/C(=C\c3c(F)cccc3Cl)S2)c(OC)c1 35648187 YRCMEZGCUMFUIJ-CXUHLZMHSA-N 392.839 4.579 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38860395 OXPWPZHWLXTOPB-OAHLLOKOSA-N 380.385 4.695 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1 39772952 LJWHRKXMCYSJBE-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB O=C(NCCc1ccccc1F)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 40061954 AALPVOAKJBJAJZ-SJORKVTESA-N 380.488 4.844 0 40 GJAB O=C(NCc1ccc(-c2ccc(O)cc2)cc1)c1cccc(Nc2ncccn2)c1 40068175 WHOSRUWSOJZUFU-UHFFFAOYSA-N 396.450 4.523 0 40 GJAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(Cl)cc2cccnc12 40156724 DDAWTQUPVCYHIC-GOSISDBHSA-N 382.847 4.698 0 40 GJAB C[C@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3ccc(F)cc3)c2c(=O)[nH]1 40388435 LLWTWEIHJYIOBD-PPYMECGQSA-N 398.441 4.710 0 40 GJAB O=C(c1cccnc1)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72349128 XMOSVRDOMGBEBW-UHFFFAOYSA-N 391.902 4.741 0 40 GJAB O=C(COc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72357779 PODZRSAJADOOFL-QHCPKHFHSA-N 390.458 4.554 0 40 GJAB CCOc1ccccc1NC(=O)N1CCC(COCc2ccc(F)cc2)CC1 77191550 JUSSDLCTPYZBIP-UHFFFAOYSA-N 386.467 4.685 0 40 GJAB O=C(C[C@H]1OCCc2ccccc21)NCc1ccc(OCc2ccccc2)cc1 89836774 LNUYGTGWWKRGJK-XMMPIXPASA-N 387.479 4.586 0 40 GJAB CC(=O)c1cc(Br)cc(Cl)c1OCc1nnc(C2CCC2)o1 95431093 OPLIKFOSGJJELH-UHFFFAOYSA-N 385.645 4.535 0 40 GJAB Cc1ccccc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 100156368 UIMBRTZSICVKBA-IYBDPMFKSA-N 381.501 4.810 0 40 GJAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2c(-c3ccc(F)cc3)noc2n1 104062133 ZPYCPBKYWRMZBQ-DNUAJFIVSA-N 393.462 4.892 0 40 GJAB CC[C@H](C)N/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 105898188 HKUPKVSANUCVKJ-WIOAZZGGSA-N 388.389 4.621 0 40 GJAB COc1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1Cl 169890473 LYODHLCNJRDYAZ-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB NC(=O)/C=C\c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1 208759197 URVXPSIJDCBHOU-RQOWECAXSA-N 394.574 4.880 0 40 GJAB Cc1cccc(CSCCNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 218918462 KTNJBPAZPHKVLQ-UHFFFAOYSA-N 377.937 4.694 0 40 GJAB Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 222974752 QNWHQJXMYACIJL-FQEVSTJZSA-N 390.571 4.963 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223379129 SGZDQWKZSIBCIB-SFTDATJTSA-N 390.556 4.811 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224395696 AAXHKFVKFYUOHS-PMACEKPBSA-N 394.519 4.954 0 40 GJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225163150 XFWLEVZDYWEVCK-CQSZACIVSA-N 384.501 4.612 0 40 GJAB CCOc1ccc(CNC(=S)Nc2ccc(Br)c(C)c2)cc1 225430315 MQVGUUSLODIFJB-UHFFFAOYSA-N 379.323 4.643 0 40 GJAB CC[C@H](C)NC(=O)C1(Cc2cccc(-c3cc(F)ccc3OC)c2)CCOCC1 257198114 TWNLUXLZJCCBIP-KRWDZBQOSA-N 399.506 4.755 0 40 GJAB O=C1N/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1C1CCCCC1 409077322 FAKHCSOWCOCDSJ-STZFKDTASA-N 394.446 4.630 0 40 GJAB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1CCc1ccccc1 409200363 HYQVTJHLTDOKHT-VBKFSLOCSA-N 377.387 4.984 0 40 GJAB Cc1s/c(=N\C(=O)c2cccc(Br)c2)n(C)c1-c1ccccc1 409206248 WMCAJZLFDTZFQT-ZZEZOPTASA-N 387.302 4.566 0 40 GJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 409372607 FMVMTGQGHBXXGS-WOJGMQOQSA-N 394.496 4.595 0 40 GJAB COc1ccc(NC(=O)C2(Cc3cccc(F)c3)CCCCC2)cc1NC(C)=O 585082983 HXATTYHPHASWEF-UHFFFAOYSA-N 398.478 4.924 0 40 GJAB O=C(c1ccc(Oc2ccccc2)nc1)N1CCC[C@H]1c1ccc2c(c1)OCO2 590581695 PSEAJQKPHBXYQH-IBGZPJMESA-N 388.423 4.580 0 40 GJAB COc1ccc(Nc2nc(C(=O)N(C)[C@@H](C)c3ccc(OC)cc3)cs2)cc1 607047784 NMVFOGYPNCELOS-AWEZNQCLSA-N 397.500 4.737 0 40 GJAB Cc1ccc(Cn2c([C@@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)cc1 703871 LECSKXCHCMEDJO-HXUWFJFHSA-N 381.479 4.914 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 722515 HZPLRGPGTAQQKT-UHFFFAOYSA-N 399.244 4.855 0 40 GJAB CC[C@H](C)NC(=S)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 920029 NIVBXSKTRNXVAO-INIZCTEOSA-N 385.577 4.644 0 40 GJAB Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1C 976861 LYCUBRKDUORRPG-UHFFFAOYSA-N 382.467 4.868 0 40 GJAB CCOc1ccccc1C(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl 1006502 GSLWDEQKFDUASM-UHFFFAOYSA-N 388.895 4.767 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1 2447474 IHQUJIRORQIKHZ-UHFFFAOYSA-N 380.517 4.819 0 40 GJAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc(F)cc1F 2468297 KGVAOGHTNPWPOM-UHFFFAOYSA-N 379.819 4.535 0 40 GJAB CCn1cc(C(=O)Nc2ccccc2Cc2ccccc2)c(=O)c2ccc(C)nc21 2621482 MNTGFYDNUZKYNE-UHFFFAOYSA-N 397.478 4.568 0 40 GJAB CCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 3370932 FBWJEUKUGATQOW-UHFFFAOYSA-N 375.852 4.623 0 40 GJAB CCSc1nnc2c(n1)O[C@H](/C(C)=C\c1ccccc1)Nc1ccccc1-2 5327666 YWNVGUUTGTWJPW-FNDLEWIFSA-N 376.485 4.885 0 40 GJAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccccc1 5399897 ZBETVULQFBJUCM-KRWDZBQOSA-N 398.462 4.948 0 40 GJAB COc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(F)cc32)cc1 5959391 RDFBMNGTBYNBEL-UHFFFAOYSA-N 379.822 4.922 0 40 GJAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1 6201252 QUZZQVHSBDNJLH-AWEZNQCLSA-N 382.489 4.840 0 40 GJAB CC(C)CC[C@@H](C)N/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 6887465 GTJRZYCHIYIBQH-GNFOSXPUSA-N 376.500 4.624 0 40 GJAB aggregator C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)CNCc1ccccc1 6931320 HKQCBICFBAZMCN-CAKRBILKSA-N 391.555 4.769 0 40 GJAB O=C(/C=C/c1ccc(F)cc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 7596614 UEWATHKWEAPEHA-KGVSQERTSA-N 397.837 4.734 0 40 GJAB Cc1cccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1C 7684889 UYSWGXOAMDOXRF-QGZVFWFLSA-N 380.513 4.698 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2nc(-c3ccc(Cl)cc3)no2)c(OC)c1 7741515 OMQZLBIUQCJQHL-GOSISDBHSA-N 399.878 4.744 0 40 GJAB C[C@@H](Sc1ncc(-c2ccccc2)n1C1CC1)c1nc2ccccc2c(=O)[nH]1 8709896 MUJAYGDYOJKPSZ-CQSZACIVSA-N 388.496 4.975 0 40 GJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)Nc4ccccn4)c(C)c3cc2c1C 8765058 UQRCMAHZFSGMAQ-UHFFFAOYSA-N 390.439 4.739 0 40 GJAB biogenic CCN1C(=O)c2cc(NC(=O)Cc3cccc(C)c3)ccc2Oc2ccccc21 9134684 SGHABCUOFSHDEW-UHFFFAOYSA-N 386.451 4.949 0 40 GJAB O=C(COc1ccc(Cl)cc1Br)N1CCC[C@H]1c1ccccc1 9955839 FNXUOHYGMWVVDT-INIZCTEOSA-N 394.696 4.845 0 40 GJAB COc1ccccc1-c1nnc(SCc2ccccc2C(F)(F)F)n1C 10241666 GXVNHQUZNHDFQA-UHFFFAOYSA-N 379.407 4.802 0 40 GJAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3Cl)c12 10641851 ACRMOTWSGWIENS-UHFFFAOYSA-N 376.847 4.849 0 40 GJAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3cccnc3)on2)cc1 12120244 NXLNDCGDNLECLI-FQEVSTJZSA-N 377.444 4.503 0 40 GJAB CCOC(=O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3cccs3)nc21 12396341 DQHYDVUXIBEZMR-UHFFFAOYSA-N 395.406 4.619 0 40 GJAB COc1ccc(C)cc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12982266 APZMSAITUVCDQM-HSZRJFAPSA-N 392.524 4.651 0 40 GJAB CC(C)CCN(CCC(C)C)C(=O)COc1c(C(=O)O)ccc2ccccc12 13086222 ACXVCPWQPBRFEB-UHFFFAOYSA-N 385.504 4.838 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(Cl)c1 14399585 YWQQUEADAZBDDN-ZDUSSCGKSA-N 384.328 4.810 0 40 GJAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3)n2)cc1 14609633 MXRUMORGMDHURQ-UHFFFAOYSA-N 398.466 4.894 0 40 GJAB Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@H](c3ccccc3)C2=O)c1C 15412202 OGIAONFEKRBUFV-HSZRJFAPSA-N 388.442 4.564 0 40 GJAB CC(=O)N(C)C1CCC2(CC1)CN(CC1=CCCCC1)Cc1ccccc1O2 19016355 FSVSMHCIERWZAC-UHFFFAOYSA-N 382.548 4.541 0 40 GJAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1 21787478 DWZHWHUQGHBKBO-QHCPKHFHSA-N 391.515 4.887 0 40 GJAB C[C@H](NCCc1ccccc1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 23425461 BQLUYZDFNLHKGF-HNNXBMFYSA-N 375.497 4.545 0 40 GJAB CCN(CC)[C@H](CNC(=O)COc1ccccc1C)c1ccc(C(C)(C)C)cc1 28290638 BMDDUXFTVZFJOL-JOCHJYFZSA-N 396.575 4.871 0 40 GJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N4CCC(C)CC4)c(C)c3cc2c1C 30819251 OCQXEJUAUWUQFH-UHFFFAOYSA-N 395.499 4.964 0 40 GJAB Cc1cccc(Nc2nnc(SC[C@@H](O)c3ccccc3F)s2)c1C 31440803 PAGREQWLDKERQZ-MRXNPFEDSA-N 375.494 4.863 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967556 HSFYDAFTIXEKRW-UHFFFAOYSA-N 395.768 4.805 0 40 GJAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc(Cl)ccc1Cl 31984559 HKYQDLKLABKHII-UHFFFAOYSA-N 398.311 4.962 0 40 GJAB O=C(Nc1ccccc1)N1CCN(Cc2ccccc2)C[C@H]1Cc1ccccc1 38575635 JKWFFNQBJCBXLX-XMMPIXPASA-N 385.511 4.648 0 40 GJAB Cc1cc(N(C)C)ccc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C 40111593 DKFJXEDUFNRQPX-UHFFFAOYSA-N 399.491 4.796 0 40 GJAB COc1cc(CN(C(=O)Nc2ccc(C)cc2F)C2CC2)ccc1OC(F)F 40119961 KGXRJXQFYPAFAA-UHFFFAOYSA-N 394.393 4.941 0 40 GJAB O=C(NCCCSc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 43975242 RSCCCYTYQZKPRB-UHFFFAOYSA-N 395.484 4.836 0 40 GJAB C[C@@H](C(=O)Nc1ccc(SCc2cccnc2)cc1)n1cnc2ccccc21 46673346 GLPZSXDUJSKTFP-INIZCTEOSA-N 388.496 4.923 0 40 GJAB CCOc1ccc(-c2cc3c(=O)n(Cc4ccccc4C)ccn3n2)cc1Cl 72329609 JGCZROFGLDWXPT-UHFFFAOYSA-N 393.874 4.572 0 40 GJAB O=C(c1ccc2ncccc2c1)N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 72354379 QJPZOENLPNKBBB-JOCHJYFZSA-N 380.451 4.669 0 40 GJAB COc1ccccc1OC[C@@H](O)Cn1c(C2CCCCC2)nc2ccccc21 82087074 JVFVQVJCVGWJEM-SFHVURJKSA-N 380.488 4.533 0 40 GJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccc2)C12CCCC2 96344609 RFMCLFXUQNGZTK-QFIPXVFZSA-N 390.527 4.655 0 40 GJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nnc(SCc2ccc(F)cc2)s1 108901627 SCDCOEAKIUPIBQ-IHRRRGAJSA-N 377.510 4.734 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 218975594 KOFVCMMQECCNDB-UHFFFAOYSA-N 375.424 4.695 0 40 GJAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 223786605 AUCFBUJOIXLOLE-SFTDATJTSA-N 392.528 4.602 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 224058603 BNIMVRXPFSTKPQ-UHFFFAOYSA-N 397.862 4.735 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(CN2CCCCC2)cc1 224535356 UOANHEQGXSEHQM-HSZRJFAPSA-N 394.559 4.763 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccccc2)s1 224638432 DHHUXDYUGZJEEU-IBGZPJMESA-N 393.512 4.880 0 40 GJAB COc1ccccc1CCCNC(=S)Nc1ccc(Br)c(C)c1 225550047 KHWCYMQWISQYDS-UHFFFAOYSA-N 393.350 4.685 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225623212 ZJAWQTMLVYMDRT-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cc(=O)c2ccccc2o1 225625714 YRZCSAWSZFJHCX-UHFFFAOYSA-N 397.390 4.557 0 40 GJAB O=C(N[C@]1(C(=O)O)C[C@H]1c1ccccc1)OCC1c2ccccc2-c2ccccc21 253189873 ZUHVSHCCMGDQNS-WIOPSUGQSA-N 399.446 4.536 0 40 GJAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 257339049 YZZRZTHGYVKHPT-SFHVURJKSA-N 375.447 4.902 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1C 408626810 INAMLFDOADCVSJ-QGZVFWFLSA-N 381.545 4.809 0 40 GJAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(Br)o2)S1 408808214 FAIGOUOAZCZLQO-UHFFFAOYSA-N 398.689 4.767 0 40 GJAB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1ccc2ccccc2c1 409168134 KMVZSOGHJUIYOP-UHFFFAOYSA-N 391.452 4.576 0 40 GJAB O=C1Nc2nc(cs2)[C@H]2CCCN2Cc2ccccc2OCc2cccc1c2 585281454 ZZSPSTCOHPERLJ-LJQANCHMSA-N 391.496 4.625 0 40 GJAB Clc1ccccc1-c1cc(CSc2nncn2CCc2ccccn2)no1 1165643547 OMWDDNFSIPKDAX-UHFFFAOYSA-N 397.891 4.517 0 40 GJAB CCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OC2CCCCC2)=C1C 707388 UEZLBNYNGDMRSS-GOSISDBHSA-N 376.884 4.576 0 40 GJAB CC(C)Sc1nnc(CSc2ncccn2)n1-c1ccc(Cl)cc1 2706183 CEMAZVOKRIINTB-UHFFFAOYSA-N 377.926 4.504 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 4293086 WMUMZOAFCDOTRW-XAONRHQESA-N 390.564 4.686 0 40 GJAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1C 4710960 HGMUVVOMIBWOOT-UHFFFAOYSA-N 387.439 4.833 0 40 GJAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Cl)cc1)C(=O)CCC3 4735770 HAIWQGMVJCYLIA-UHFFFAOYSA-N 389.860 4.714 0 40 GJAB Cc1cccc(C)c1-n1nnnc1C1(N(N=O)c2ccc(Cl)cc2)CCCC1 4772885 ZTCDZDVGXJASFZ-UHFFFAOYSA-N 396.882 4.890 0 40 GJAB CCOC(=O)c1cnc2cc(-c3ccc(OC)cc3)nn2c1-c1ccc(C)cc1 5980069 TVLRNLRCECQNDZ-UHFFFAOYSA-N 387.439 4.557 0 40 GJAB Cc1cc2occ(CC(=O)Nc3ccc(N4CCOCC4)cc3)c2cc1C(C)C 6255669 AYZFVGDYKUVJFF-UHFFFAOYSA-N 392.499 4.882 0 40 GJAB C[C@@H](c1ccc(OCc2ccccc2)cc1)c1cc2c(cc1OCCO)OCO2 6437410 QHDRFVNTMGJJOS-KRWDZBQOSA-N 392.451 4.517 0 40 GJAB C[C@@H]1c2cc3c(cc2CCN1C(=O)c1ccc(C(C)(C)C)cc1)OCCCO3 6662752 LJJPWPFWDDPZJZ-MRXNPFEDSA-N 379.500 4.905 0 40 GJAB Cc1ccc(C)c(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c1 6886683 RWTLJLRRXWGUFS-UHFFFAOYSA-N 379.481 4.731 0 40 GJAB O=C(O)c1cccc(NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 8470163 XVHKDPWCYSRKIY-UHFFFAOYSA-N 394.814 4.543 0 40 GJAB COc1ccc2nc(NC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)sc2c1 10127021 DDYZKBJUYBHPRN-UHFFFAOYSA-N 384.848 4.601 0 40 GJAB CCCCOc1ccc(-c2nonc2NC(=O)Cc2ccc(Cl)cc2)cc1 11914169 JBTCFQHIGFLMDE-UHFFFAOYSA-N 385.851 4.750 0 40 GJAB COc1ccccc1/C=C/c1nn2c(-c3ccc4ccccc4n3)nnc2s1 13726095 NFUSIGLYXJNISJ-ACCUITESSA-N 385.452 4.580 0 40 GJAB COc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1OC 13820624 YWZLKKSNBWDQQM-UHFFFAOYSA-N 378.497 4.780 0 40 GJAB COc1ccc(C(=O)N2CCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc1OC 16348267 XAROLOJUFLXFSZ-FQEVSTJZSA-N 390.483 4.500 0 40 GJAB Cc1ccc([C@@](O)(C(F)(F)F)[C@](O)(c2ccc(C)cc2)C(F)(F)F)cc1 17062031 PNGDXJSMGGINQB-IYBDPMFKSA-N 378.312 4.503 0 40 GJAB CCc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 18258037 MIFLDXRXAUNWQO-ULBZPVTCSA-N 379.459 4.646 0 40 GJAB CC(C)C(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 19694403 XBFCIJZVPUABBZ-GOSISDBHSA-N 386.927 4.573 0 40 GJAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC 20043175 FDJXVESYRWROGG-OLZOCXBDSA-N 379.909 4.715 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc(C)c1Cl 20144355 VEDGUXJZTQUXJM-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB O=C(CCN1CCSC1=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 21668311 XDFBNSHZXZFKSM-UHFFFAOYSA-N 399.497 4.586 0 40 GJAB Cc1nc(CSc2ccccc2C(=O)Nc2nc3c(C)cccc3s2)no1 24762524 OETYXMUYYYNFKJ-UHFFFAOYSA-N 396.497 4.841 0 40 GJAB Cc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 28291472 YMHOZYUYNGCXEV-INIZCTEOSA-N 383.879 4.608 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 30872374 IBMNOXYKHDYSSP-GOSISDBHSA-N 388.895 4.664 0 40 GJAB O=C(c1ccc(OCc2cccnc2)cc1)N1CCC(Cc2ccccc2)CC1 32035035 KHQICZBHIPUACL-UHFFFAOYSA-N 386.495 4.756 0 40 GJAB COc1ccc([C@]2(CCN(Cc3ccco3)C(C)=O)CCOC(C)(C)C2)cc1 32124173 ZCAXDZYYPZXIJY-HSZRJFAPSA-N 385.504 4.554 0 40 GJAB biogenic CCCOc1ccc(OCCSCCC(=O)Nc2ccccc2OC)cc1 32778744 GELXLZOOZQEAIV-UHFFFAOYSA-N 389.517 4.625 0 40 GJAB O=S(=O)(c1ccccc1)N(Cc1ccccc1Cl)c1ccc(F)cc1 36246184 CFAYLWDPDNOFDL-UHFFFAOYSA-N 375.852 4.875 0 40 GJAB CCCCn1ccc2c(cnc3c(-c4ccc(Cl)cc4)c(CC)nn32)c1=O 40397401 DMSCRAMZNIOSQP-UHFFFAOYSA-N 380.879 4.727 0 40 GJAB O=C1/C(=C/c2ccccc2)N=C(SCc2cccnc2)N1c1ccc(F)cc1 44585659 ZSAKSHUDYGDGMP-MOSHPQCFSA-N 389.455 4.898 0 40 GJAB CCOc1ccc(CCCNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44851481 WMABQBTWJSVYBV-UHFFFAOYSA-N 394.559 4.824 0 40 GJAB Cc1cc(NC(=O)c2nc(-c3cccs3)oc2C)n(Cc2ccccc2)n1 48375236 GDOQGEDNIBOVQH-UHFFFAOYSA-N 378.457 4.517 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(F)cc1Cl 51364527 HJXWRMAONHNVJF-HNNXBMFYSA-N 382.822 4.638 0 40 GJAB S=c1[nH]nc(C2CC2)n1CCNc1nc(-c2ccccc2)c2ccccc2n1 72307740 PJANWJANSAALID-UHFFFAOYSA-N 388.500 4.540 0 40 GJAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 72355873 NWBOYHKDSPARSW-JOCHJYFZSA-N 380.451 4.669 0 40 GJAB CC[C@H]1CCc2nc(NC(=O)c3cc(C)n(CC(F)(F)F)c3C)sc2C1 89948304 WNNUFTFPFISUPQ-LBPRGKRZSA-N 385.455 4.891 0 40 GJAB COCOc1ccc(OC)cc1CNc1cc([C@H]2C[C@@H]2C)nn1-c1ccccc1 95455332 VFAWCZZTJXZHKX-JXFKEZNVSA-N 393.487 4.599 0 40 GJAB FC(F)(F)C(F)(F)SCCCNCc1ccc(Br)cc1 95918390 WATKTVBXOCPTSI-UHFFFAOYSA-N 378.204 4.817 0 40 GJAB Cc1c(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cccc1-c1ccccn1 95974525 UDZFYLIWFNZKAW-UHFFFAOYSA-N 391.496 4.921 0 40 GJAB COc1ccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1OC 96194179 NKBRJNVNDVJPRC-UHFFFAOYSA-N 392.440 4.592 0 40 GJAB COc1ccc([C@@H](C)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)cc1 107443508 MLAHGIAFUFIBNP-CYBMUJFWSA-N 394.496 4.573 0 40 GJAB CCOC(=O)c1cn(Cc2ccc(C)cc2)c2ccc(C(F)(F)F)cc2c1=O 199734053 QBWPSHBJORCZMA-UHFFFAOYSA-N 389.373 4.554 0 40 GJAB CC(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(Br)c1 218870299 VMNQVSMVAYRWPZ-UHFFFAOYSA-N 396.712 4.921 0 40 GJAB CC[C@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(OC)c(OC)c1 219394857 TZTIMLNQDILPBD-IBGZPJMESA-N 379.456 4.747 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccccc1C(C)C 222813058 QQEFMKPPUZRDPU-LJQANCHMSA-N 383.488 4.616 0 40 GJAB C[C@H](SCc1ccccc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224645689 MYNJLVXKIKEGKD-IBGZPJMESA-N 382.573 4.611 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3c(C)cccc3C)o2)c(OC)c1 224866546 SDZQKCAXAGDIRQ-UHFFFAOYSA-N 380.444 4.547 0 40 GJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225744741 RVVADOFKASTZQY-JOCHJYFZSA-N 378.557 4.721 0 40 GJAB COCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C 225863028 KKGYGWFJGILESN-UHFFFAOYSA-N 388.895 4.519 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC2CCC2)[C@@H]1c1cccs1 257173750 WCQHAQGXBPETAL-SFTDATJTSA-N 396.556 4.601 0 40 GJAB COc1ccccc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257280035 OJEMHTOXSKGUAQ-IBGZPJMESA-N 396.874 4.905 0 40 GJAB OCc1ccccc1CN(Cc1ccccc1)Cc1cnn(C2CCCC2)c1 257292619 QMHPIFKKEOXXPE-UHFFFAOYSA-N 375.516 4.693 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 408998324 LJUGGFASOROLJI-OAQYLSRUSA-N 392.886 4.628 0 40 GJAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409193959 IWNPBTMITRYDIQ-UHFFFAOYSA-N 394.446 4.772 0 40 GJAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ncoc1C1CC1 618238049 PPOOKAQPMKTXSI-IBGZPJMESA-N 394.393 4.688 0 40 GJAB c1ccc(C[C@@H](NCc2cc3n(n2)CCCC3)c2nc3ccccc3s2)cc1 649622919 ZNAFQAWWUFTYNC-OAQYLSRUSA-N 388.540 4.903 0 40 GJAB CCOC(=O)C1=C(N[C@@H](C)c2ccccc2)CC[C@@H](C(=O)OC(C)(C)C)CC1 1857793346 WRNYVZALLUVTHF-WMZOPIPTSA-N 387.520 4.686 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 675312 HDTJLBRCWLTWFB-UHFFFAOYSA-N 389.293 4.957 0 40 GJAB Cc1sc2ncn([C@H](C)C(=O)Nc3ccccc3)c(=O)c2c1-c1ccccc1 937704 BBUDWSZLUVCBID-CQSZACIVSA-N 389.480 4.633 0 40 GJAB O=C(c1ccco1)c1cn(-c2ccccc2)nc1C(=O)c1nc2ccccc2s1 987944 BMPIZTCXBSACNP-UHFFFAOYSA-N 399.431 4.537 0 40 GJAB Cc1ccccc1NC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2 1081049 ZJFPWMMPBPQTEB-UHFFFAOYSA-N 391.496 4.835 0 40 GJAB Cc1ccccc1C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363748 DYJMPTSVWJDVMU-INIZCTEOSA-N 381.863 4.718 0 40 GJAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1 2343264 YVLKCSHDPMZLOO-AWEZNQCLSA-N 381.473 4.723 0 40 GJAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc(Cl)c3ccccc23)c1C 3327811 YEBCYZMPWHBSOV-UHFFFAOYSA-N 385.847 4.877 0 40 GJAB C[C@H]1CCc2c(sc3ncnc(N4CCN(c5ccccc5Cl)CC4)c23)C1 3453523 VUIFTBNYYMKAHJ-AWEZNQCLSA-N 398.963 4.796 0 40 GJAB Cc1ccc(-c2nn(CCC(=O)Nc3cccc(C)c3)c(=O)c3ccccc23)cc1 3633255 UNUAWEMWIXVAKZ-UHFFFAOYSA-N 397.478 4.709 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4088767 VFRYXYDGBRLAEF-ZDUSSCGKSA-N 399.903 4.679 0 40 GJAB CCOc1ccc(C(=O)N2CCN=C2SCc2cccc(C)c2)cc1OCC 4120196 ZIMQWWKBKMYYHL-UHFFFAOYSA-N 398.528 4.538 0 40 GJAB Cc1cccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)c1 4200734 LOYAQLCIESPDAZ-UHFFFAOYSA-N 395.509 4.776 0 40 GJAB Cc1ccc2nc(NC(=O)CSc3ccc(-c4ccccc4)nn3)sc2c1 4355420 ZAFFKXFJFJRWLT-UHFFFAOYSA-N 392.509 4.793 0 40 GJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1Cl 4689071 SPHXCWFQZAHBAF-UHFFFAOYSA-N 383.300 4.827 0 40 GJAB COc1ccc(OC)c([C@@H]2O[C@H]3CCCC[C@H]3c3cc(OC)c(OC)cc32)c1 4783740 HUVLGXCTVIMPTE-RWAHWCJQSA-N 384.472 4.867 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4816644 AJRPVOILXHBQOX-RBUKOAKNSA-N 380.879 4.655 0 40 GJAB Cc1ccc(C)c(NC(=S)N2[C@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c1 4857367 FGXLZHIMVWXRBB-AYHJJNSGSA-N 387.593 4.548 0 40 GJAB Cc1ccc(C)c(-n2c(SCCN3CCCCC3)nnc2-c2cccnc2)c1 4858619 UKIIAQCHJQNGLF-UHFFFAOYSA-N 393.560 4.524 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 5415817 ZTWBEMWBLKRLPT-OALUTQOASA-N 379.500 4.541 0 40 GJAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)cc2)C1 5748691 CIUDRPDXYRKULS-GJZGRUSLSA-N 386.542 4.630 0 40 GJAB Cc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)cc1 6759374 HKGFYEXNNFEUQS-HOCLYGCPSA-N 390.365 4.697 0 40 GJAB Cc1cccc(Cc2cnc(NC(=O)c3cnc(Cl)c(Cl)c3)s2)c1 6995256 DPYBMKROEUFDAZ-UHFFFAOYSA-N 378.284 4.996 0 40 GJAB Cn1c(SCc2ccc(Br)cc2F)nnc1-c1ccccc1F 7235690 VCKUORVVGJNVMK-UHFFFAOYSA-N 396.260 4.815 0 40 GJAB O=c1[nH]c(CN2CC[C@@H]3CCCC[C@@H]3C2)nc2sc(-c3ccccc3)cc12 7285894 JIGRSGHUWHGBCZ-DOTOQJQBSA-N 379.529 4.664 0 40 GJAB COc1ccc(CNC(=S)N(C)C(c2ccccc2)c2ccccc2)cc1 7637390 AEEILXPQRQHPBN-UHFFFAOYSA-N 376.525 4.791 0 40 GJAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCCCO3)c2cnn(C(C)C)c2n1 8073871 KYSNFTORYRONIU-UHFFFAOYSA-N 394.475 4.549 0 40 GJAB O=C(c1cnn(-c2ccccc2)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8093855 JFHVQSRKJQMHHX-MRXNPFEDSA-N 388.496 4.502 0 40 GJAB O=C(NCCc1cccs1)c1ccccc1Cc1nc2ccccc2s1 8267481 FFGQIXBZAHOLFQ-UHFFFAOYSA-N 378.522 4.921 0 40 GJAB CC(C)Oc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)NC2=O)cc1 9330935 VIJALBOTAWFPTO-RQZCQDPDSA-N 375.255 4.698 0 40 GJAB Cc1ccc(O)c(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 10235506 RLCGSPQNOJTTCY-UHFFFAOYSA-N 386.904 4.984 0 40 GJAB Cc1cccc(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)c1 11694978 NRWBSVOYIDBNNT-UHFFFAOYSA-N 388.539 4.669 0 40 GJAB Cc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c(O)c1 12775664 RDDYERBAMKBYDG-UHFFFAOYSA-N 388.876 4.571 0 40 GJAB CSCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12795692 DDIJWRLXGWDGGU-IBGZPJMESA-N 383.513 4.688 0 40 GJAB CCOc1ccc(NC(=O)c2c(C)nc(Nc3nc(C)c(C)s3)nc2C)cc1 13610754 HUIVYMUGYXHRBK-UHFFFAOYSA-N 397.504 4.561 0 40 GJAB CCn1ncc2c(C(=O)N(C)Cc3ccc(C)cc3)cc(-c3ccccc3)nc21 14288818 VGWDVVURRRFXFF-UHFFFAOYSA-N 384.483 4.699 0 40 GJAB CCCCOC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12 14674526 WDIXJPZCUHVGJB-UHFFFAOYSA-N 377.440 4.710 0 40 GJAB O=C1C[C@H](c2cccc(F)c2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081483 PQOIZUCPWJMCFX-CQSZACIVSA-N 385.391 4.866 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2cc1OC 15608603 RTRALCPWCQFRGT-HNNXBMFYSA-N 376.456 4.629 0 40 GJAB COc1cccc(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 19934764 IWTVQLSQZAMGSX-FDDCHVKYSA-N 375.468 4.677 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20144313 QHLOTIMGQVTUQG-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB CC(C)Cc1ccc(/C=C/C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 20432529 MFYHXQQVNTXATO-NUFNZXCZSA-N 388.555 4.756 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1-n1ccnc1C 20486546 WKEQOMDSTMAQMW-HSZRJFAPSA-N 399.494 4.808 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccccc1Cl 20494599 UBSCPZRCFRICLI-SFHVURJKSA-N 375.896 4.645 0 40 GJAB Cc1nc(NC(=O)c2ccc(F)cc2Cl)sc1-c1nccn1C(F)F 24927819 MWHUOTWQXKKUPJ-UHFFFAOYSA-N 386.786 4.755 0 40 GJAB C[C@H](SCc1nc(-c2ccsc2)no1)C(=O)Nc1ccc2c(c1)CCC2 25054124 LOZKGQCWFSGUCC-LBPRGKRZSA-N 385.514 4.547 0 40 GJAB CCCCn1c(C)c(C(=O)c2ccccc2)c2cc(OCC(=O)OCC)ccc21 25186051 HAYOBVZZJAQVLI-UHFFFAOYSA-N 393.483 4.923 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cccc(Cl)c1 30869451 SVJKZMCPJUMJPY-IBGZPJMESA-N 375.896 4.645 0 40 GJAB C[C@H](NC(=O)CCCC(=O)c1cccs1)c1ccc(OC(F)(F)F)cc1 31951942 OAAZOEYXYYLRMM-LBPRGKRZSA-N 385.407 4.877 0 40 GJAB O=C(Cc1cccs1)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 32907119 YFKZRGHZOIYCLX-UHFFFAOYSA-N 398.431 4.875 0 40 GJAB Cc1ccc(C(=O)CCC(=O)CCC(=O)N(C)[C@@H]2CCCc3ccccc32)s1 32969108 NLHLFWZEESWFEC-HXUWFJFHSA-N 397.540 4.905 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cn2ccnc2)cc1 38857104 XYINYWHSFNUKOY-UHFFFAOYSA-N 379.769 4.856 0 40 GJAB COc1cc(C(=O)Nc2ncccc2C)ccc1OCc1ccccc1Cl 39969187 TUXROEFHXNHMJW-UHFFFAOYSA-N 382.847 4.883 0 40 GJAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(OC(C)C)cc4)no3)CC2=O)c(C)c1 44435387 WRFONXJTQQPUIB-GOSISDBHSA-N 391.471 4.661 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 44900752 DXEJEGBKOYUTMN-CQSZACIVSA-N 385.920 4.631 0 40 GJAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cc1 46079057 MHBIGGAZSRQKJD-UHFFFAOYSA-N 388.442 4.979 0 40 GJAB Cc1cc2nc(NCCc3nc(-c4ccccc4)oc3C)c3ccccc3n2n1 58156616 SMHYGJJNJKSPDV-UHFFFAOYSA-N 383.455 4.809 0 40 GJAB O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccccc1C(F)(F)F 60062858 HYAINVYFWCNEAE-MRXNPFEDSA-N 375.350 4.686 0 40 GJAB CCn1cc(-c2nc(-c3ccc(Br)cc3)no2)c(=O)c2ccccc21 64960890 IPKYRJIKMOULHR-UHFFFAOYSA-N 396.244 4.501 0 40 GJAB Fc1ccc(-c2nnc(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1 65185369 IMRJURXNCYUHST-UHFFFAOYSA-N 390.296 4.535 0 40 GJAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H](CSc2ccccc2)C1 72303133 GEGOYXAICXVAPC-MRXNPFEDSA-N 379.447 4.889 0 40 GJAB Cc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc(Br)cc3)C2)o1 79046918 DDYGFUWMKHUEMR-INIZCTEOSA-N 399.244 4.935 0 40 GJAB O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC[C@H]2CCCC[C@@H]21 97212378 RHSCKMQKTDWJCS-DOMZBBRYSA-N 379.382 4.550 0 40 GJAB COc1ccc(N2C(=O)/C(=C/Nc3ccc(C)cc3)c3ccccc3C2=O)cc1 100344641 WZLKNMMUTDGEBA-PXLXIMEGSA-N 384.435 4.644 0 40 GJAB COc1cccc(-c2c(NC(=O)c3ccco3)oc3ccc(Cl)cc3c2=O)c1 100672988 RBQZIRVZIWLTRG-UHFFFAOYSA-N 395.798 4.967 0 40 GJAB CCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)c2)c(O)c2ccccc21 100889271 QLWFNEYUZZTUGS-UHFFFAOYSA-N 378.472 4.766 0 40 GJAB Cc1nc(CN(C)C(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cs1 103911316 RSMZYIRHMWKBQC-JDPPGYRCSA-N 397.382 4.534 0 40 GJAB CC(C)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 107920737 MNLUAFFUZDQIMK-UHFFFAOYSA-N 394.496 4.863 0 40 GJAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1OC 115547218 KVSPIVQJSTXAKG-KRWDZBQOSA-N 385.504 4.562 0 40 GJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2ccccc12)c1ccc(OC)c(OC)c1 219047761 BCLBIKVHJLHXFE-JXFKEZNVSA-N 393.483 4.892 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219325206 BRBWWSOQYYKWJX-MSOLQXFVSA-N 391.895 4.782 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223659254 UJIISMHLMQHGDZ-QFIPXVFZSA-N 383.532 4.954 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc3c(c2)CCCC3)cc1 223994200 UFFWVFIQFDMPQY-HSZRJFAPSA-N 381.516 4.856 0 40 GJAB Cc1ccc(OCCNC(=O)c2ccccc2OCc2ccccc2)cc1C 224274676 UHXBUGAKNNDASV-UHFFFAOYSA-N 375.468 4.691 0 40 GJAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COCc1ccccc1 224355519 BYMHFUWVFWPCEO-UHFFFAOYSA-N 387.479 4.611 0 40 GJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C(C)C 224574450 PURBENLWWIDBCH-RTWAWAEBSA-N 392.528 4.650 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 225526379 CNOJJRJQHUQANC-NFBKMPQASA-N 394.559 4.568 0 40 GJAB O=C(NCc1ccnc(-c2cccnc2)c1)C1c2ccccc2Oc2ccccc21 225639933 MSVWCNUBSTUYJU-UHFFFAOYSA-N 393.446 4.698 0 40 GJAB CCOC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 226333355 ACNLKJFOUZYNRZ-VQHVLOKHSA-N 379.225 4.744 0 40 GJAB Cc1ccc(C)c(-c2ccc(OC(=O)c3ccc(Br)cc3)nn2)c1 408532540 ZQPSJBLWKPVORM-UHFFFAOYSA-N 383.245 4.742 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)cc(C)c1Cl 408703109 NGATTXVWQCEHHA-HNNXBMFYSA-N 388.895 4.501 0 40 GJAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 409386591 VJWWUFYVBYRLKN-UHFFFAOYSA-N 399.903 4.845 0 40 GJAB CC(C)COC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 824808 LEVVZJSUSAKOSR-UHFFFAOYSA-N 392.238 4.607 0 40 GJAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)OCc1ccccc1 828202 GCRTZBZONQNQNP-UHFFFAOYSA-N 395.267 4.879 0 40 GJAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc(Cl)c1O 980350 BHSAWNMTODLVFC-UHFFFAOYSA-N 390.892 4.678 0 40 GJAB COc1ccc(Cc2n[nH]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1OC 1045988 MTDFFUNCIAWNOM-UHFFFAOYSA-N 395.406 4.557 0 40 GJAB C[C@H]1CN(c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2Cl)C[C@H](C)O1 1087980 VCZMNVIKSOKHDW-RYUDHWBXSA-N 395.837 4.876 0 40 GJAB CCCOc1ccc(-c2csc(NC(=O)c3ccco3)c2C(=O)OC)cc1 2889632 VPMYUGXJHAHLIP-UHFFFAOYSA-N 385.441 4.836 0 40 GJAB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O 2965390 XIYYSYOXKJHDTR-KRWDZBQOSA-N 383.904 4.888 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccc(C)cc2O3)cc1 4105310 JZWCWIKCTGOPQU-UHFFFAOYSA-N 388.423 4.638 0 40 GJAB Clc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1Cl 4327824 IGBBSYQZVAZGQS-UHFFFAOYSA-N 388.283 4.785 0 40 GJAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(C(C)C)cc1 5100903 UMBFGWSVXWGLKB-RLWLMLJZSA-N 375.449 4.896 0 40 GJAB Cc1c(CCC(=O)NC(C)C)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 5346170 MIWRHFBSPYOQOA-UHFFFAOYSA-N 383.488 4.911 0 40 GJAB C[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)N(C)c1ccccc1 6466115 RJYZROWMJVKKQT-CQSZACIVSA-N 393.464 4.516 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1n[nH]c2nc3ccccc3n12 6509095 DDHDZZVJTLAKBC-UONOGXRCSA-N 393.516 4.843 0 40 GJAB CC(C)(C)N(Cc1ccccc1)Cn1nc(-c2ccc3c(c2)OCO3)oc1=S 6692909 SIKROEXRHISIQP-UHFFFAOYSA-N 397.500 4.859 0 40 GJAB C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 7617118 YWFJHSVGGULCCO-AWEZNQCLSA-N 390.512 4.527 0 40 GJAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(-c4ccccc4)cc3)n2)c1 7721199 PVKKDDYDGAZUAQ-UHFFFAOYSA-N 383.451 4.984 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3cc(C)cc(C)c3)o2)c1C 7854013 CUJXKKCEGHFQPI-OAHLLOKOSA-N 397.500 4.864 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)N[C@@H]1CCSc2c(F)cccc21 9253109 MRVMKRYSKQPVFB-OAHLLOKOSA-N 384.398 4.881 0 40 GJAB CCCCn1nc(NC(=O)C2CCCCC2)c2cc3cc(OC)ccc3nc21 9361050 KMFWHCUFFBAIAM-UHFFFAOYSA-N 380.492 4.912 0 40 GJAB CCOc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(C1CC1)C3 12442487 PWOUZEBQDOPJTK-UHFFFAOYSA-N 393.439 4.607 0 40 GJAB biogenic Cn1ccnc1[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1F 12520333 ZRFYYESBCMCNLJ-JOCHJYFZSA-N 393.506 4.695 0 40 GJAB COc1cc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)ccc1OC(F)F 12794903 PUMJBTJZMUXFDV-VQHVLOKHSA-N 387.304 4.967 0 40 GJAB CCCc1ccc([C@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 12811851 UTMFFESYFFOARK-QFIPXVFZSA-N 389.528 4.556 0 40 GJAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CC[C@H](C)Sc4ccccc43)c12 12873126 KNOCSMFGYQJDHB-AWEZNQCLSA-N 394.544 4.931 0 40 GJAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(Cn2cccn2)cc1 14020093 WQZSIDOZVVGPAX-DEOSSOPVSA-N 381.479 4.645 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1 14404996 XTLYZQHZFCAZCA-UHFFFAOYSA-N 390.487 4.726 0 40 GJAB O=C(Nc1ccccc1Cl)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 14609720 IXGMUSVTRRHYPF-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14796244 SLTANKFUTGJCSQ-SJORKVTESA-N 396.531 4.918 0 40 GJAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(-c2ccccn2)nc2ccccc12 15618901 NUJZHVKRDJRFMK-UHFFFAOYSA-N 397.434 4.710 0 40 GJAB CC(C)c1ccc([C@@H](C)NC(=O)CC2CCN(Cc3ccccn3)CC2)cc1 19748204 MMNVJZPPGAWLHR-LJQANCHMSA-N 379.548 4.685 0 40 GJAB CC(=O)Nc1ccc(NC(=O)CCc2sc(C)nc2-c2cccs2)cc1 19819522 UDSBEBGPBFRPOT-UHFFFAOYSA-N 385.514 4.710 0 40 GJAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(CCc1ccc(Cl)cc1)C3 20403848 DSUBBEWEDNBHPH-UHFFFAOYSA-N 395.886 4.720 0 40 GJAB CSc1ccccc1NC(=O)COc1ccc(Cl)cc1Br 21041184 UKTDLYNOPIYPMM-UHFFFAOYSA-N 386.698 4.842 0 40 GJAB CCn1c(SCc2cc(=O)c3cc(C)cc(C)c3[nH]2)nnc1-c1cccs1 21098847 LUGCSAFCSZFWQT-UHFFFAOYSA-N 396.541 4.777 0 40 GJAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(C2SCCS2)cc1 21904709 LAKQETNGPIIVCC-UHFFFAOYSA-N 379.934 4.627 0 40 GJAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(C)oc1C 23532236 ULNIGHUGXVUBIJ-UHFFFAOYSA-N 383.275 4.694 0 40 GJAB CN(C)[C@@H](CNC(=O)CC(c1ccccc1)c1ccccc1)c1ccsc1 25330193 NGQXBRKFPSGYQZ-QFIPXVFZSA-N 378.541 4.689 0 40 GJAB CCSc1ncc(Br)c(C(=O)Nc2cccc3ccccc23)n1 27741847 NKKVIABOGAMAKL-UHFFFAOYSA-N 388.290 4.757 0 40 GJAB CC(C)Oc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 30940313 AHUZJSCLJCATHV-SFHVURJKSA-N 386.923 4.978 0 40 GJAB Cc1ccc2[nH]c(CSCC(=O)Nc3cccc(Cl)c3C)cc(=O)c2c1 33064015 BNGMQRKGACPLTM-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB O=C(COc1ccccc1-c1noc(-c2cccc(F)c2)n1)Nc1ccccc1 33324941 RXVCNCUCJZRPKL-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)Nc1cccc(F)c1 33326104 IMXLBYAXGGMWGK-KRWDZBQOSA-N 397.475 4.518 0 40 GJAB COc1cc(C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OC 33703349 WDJCJFNGETYOBE-UHFFFAOYSA-N 384.657 4.680 0 40 GJAB O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1 35314686 GKFUFGDUKWITAF-QFIPXVFZSA-N 385.467 4.989 0 40 GJAB COc1ccc(C)cc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 37210496 REXOSKSWXXIMHR-OAQYLSRUSA-N 398.553 4.713 0 40 GJAB Cc1cc([C@H](C)NC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c(C)s1 40080938 NFCNHIQMJYBXNL-LSDHHAIUSA-N 386.561 4.658 0 40 GJAB C[C@H](Nc1cccc(CN2CCCC2=O)c1)C(=O)Nc1ccc(C(C)(C)C)cc1 45820963 IKTRVRJWHKWPDQ-KRWDZBQOSA-N 393.531 4.546 0 40 GJAB Cc1c(C(=O)N(C)CC(=O)Nc2ccccc2Cl)oc2ccc(Cl)cc12 57740528 AAEQRJYLYFEIQU-UHFFFAOYSA-N 391.254 4.759 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)N[C@@H](c1ccccc1)c1ccco1 57978025 GUSQVUKFWLTYOZ-IBGZPJMESA-N 380.494 4.913 0 40 GJAB C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)n1c(-c2cccs2)n[nH]c1=S 58430318 ZLNNWEAPTBESTG-MRVPVSSYSA-N 382.873 4.661 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CC(F)(F)F 62264583 XFANBTQXCWFWOE-UHFFFAOYSA-N 386.292 4.943 0 40 GJAB CN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1 71806458 KRWLCTLHIQUZKC-UHFFFAOYSA-N 398.721 4.651 0 40 GJAB COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)cc1OC 71977903 SLRMCRJIQPHCGM-UHFFFAOYSA-N 376.243 4.717 0 40 GJAB c1cc([C@@H]2CCCCN2Cc2ccc3[nH]ccc3c2)nc(Nc2nccs2)n1 72378114 WARVKXIIVPOFBB-IBGZPJMESA-N 390.516 4.885 0 40 GJAB COc1cccc([C@@H](C)Sc2nnc(CN3CCCC3)n2-c2ccccc2)c1 79001630 RWLNKQLOUWHSOH-QGZVFWFLSA-N 394.544 4.725 0 40 GJAB COc1ccccc1-c1nnc(SCCCC(C)=O)n1CCc1ccccc1 84671256 OXGDGKPSZPSASQ-UHFFFAOYSA-N 395.528 4.658 0 40 GJAB O=S(=O)(Oc1ccnc2ccc(Cl)cc12)c1cc(Cl)ccc1Cl 96305755 TXDGIDAIIJAWQX-UHFFFAOYSA-N 388.659 4.963 0 40 GJAB COc1ccc(-c2csc(C3=C(O)CN(Cc4ccccc4)C3=N)n2)cc1 102732525 HHBSGABXTYPSLY-UHFFFAOYSA-N 377.469 4.581 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccc(OCC)c(OCC)c2)c1 216290441 ODHQQEXVALEMEZ-UHFFFAOYSA-N 399.487 4.540 0 40 GJAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1 222911697 DOGSUWZBPHFQCG-FGZHOGPDSA-N 390.556 4.809 0 40 GJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)cc1 223408348 DTOAQOXNXSSAOZ-MOPGFXCFSA-N 395.553 4.633 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 223709130 CMNUWQZEKIHWOP-UHFFFAOYSA-N 399.487 4.500 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1C(C)(C)C 223713775 QYRNZEOBVBMYKX-SFHVURJKSA-N 389.923 4.990 0 40 GJAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1 224325763 XMPNODGKGWKKEY-NHCUHLMSSA-N 376.529 4.766 0 40 GJAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C 224429696 LRQPVCFFWHSGQB-LEWJYISDSA-N 394.519 4.836 0 40 GJAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1C(=O)NCc1ccccc1 225304849 NVYOHNLUYHCETB-UHFFFAOYSA-N 396.849 4.590 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Sc1ccccc1 240762378 ATFGIJVOWBXXMS-HNNXBMFYSA-N 383.900 5.897 0 40 GJAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260812464 BZNMRHAHOPRWJI-CVDCTZTESA-N 390.568 4.577 0 40 GJAB CCOc1cc(CO)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 408538990 DBYJWMKIFWXOPA-UHFFFAOYSA-N 394.467 4.744 0 40 GJAB CC(=O)NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 408628449 UBNYMTGNOBKCFB-UHFFFAOYSA-N 380.256 4.635 0 40 GJAB CC(F)(F)[C@@]1(O)CC(c2ccc(Cl)cc2)=NN1C(=O)c1cccc(Cl)c1 409004929 YKKGMYXYDZHOCU-SFHVURJKSA-N 399.224 4.587 0 40 GJAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)c1ccccc1 409220174 YYNRSLYNWNFCOD-OQLLNIDSSA-N 392.263 4.913 0 40 GJAB CC(C)n1ncc2c(-c3nc(-c4ccc(C(F)F)nc4)no3)cc(C3CC3)nc21 585099528 QGYWYNNZPSGWAF-UHFFFAOYSA-N 396.401 4.939 0 40 GJAB C[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)[C@H]1CCOC1 607847763 IPZFBJONDVTWTJ-ZBFHGGJFSA-N 398.453 4.587 0 40 GJAB Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@]2(C)C1=O 828227 UMTHBAXVVOYZLI-KCRWFKQWSA-N 379.459 4.782 0 40 GJAB CSc1nc2sc3c(c2c2nnc(SC(C)C)n12)C[C@H](C(C)C)OC3 1254825 NTMLYHVXPDKMOG-LLVKDONJSA-N 394.591 4.659 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1363910 KHOSFROIISNIMJ-QGZVFWFLSA-N 381.863 4.718 0 40 GJAB CCOC(=O)COc1ccc2c(=O)c(-c3c(C)oc4ccccc34)c(C)oc2c1 1508932 ZAPBAOSTZKRJKF-UHFFFAOYSA-N 392.407 4.765 0 40 GJAB biogenic CSc1ccc(/C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1 2119781 XRCMOODFWMXBOT-MFOYZWKCSA-N 388.489 4.962 0 40 GJAB CCCCn1c2ccc(C)cc2c2nnc(SCCN3CCCCC3)nc21 2453555 PUMDIRKBVCLGAX-UHFFFAOYSA-N 383.565 4.666 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 2630796 PSQAFOIWKLEKOK-UHFFFAOYSA-N 389.499 4.807 0 40 GJAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccc(SC)cc2OC)cc1 3292423 KPEURJRJZFGWTN-AWEZNQCLSA-N 387.501 4.726 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc(OC(F)F)c1 3430536 AZROPPXQHZKOMC-UHFFFAOYSA-N 398.413 4.525 0 40 GJAB CCn1cc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)c(C)n1 3634541 AHTLNDTXVQQJKD-UHFFFAOYSA-N 398.510 4.973 0 40 GJAB COc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3cccnc3)C[C@H]21 4715746 BOXBACPWKUTOAG-KNQAVFIVSA-N 391.858 4.986 0 40 GJAB Cc1ccc2oc(C(=O)Nc3ccccc3I)c(C)c2c1 5032574 MMTGFJQWPRYVPY-UHFFFAOYSA-N 391.208 4.907 0 40 GJAB CN1CCN(c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)CC1 5089666 WCSIOHIRBFXAIQ-UHFFFAOYSA-N 399.538 4.599 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(Br)s3)o2)c1 5434668 HIRGVVHFVCGGTR-UHFFFAOYSA-N 395.303 4.844 0 40 GJAB COc1ccccc1-c1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)s1 5500813 VNGNFTANRMIFQY-UHFFFAOYSA-N 397.500 4.529 0 40 GJAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(N2CCOCC2)cc1 6345161 SNTRFLVVHSWVAB-UHFFFAOYSA-N 397.327 4.561 0 40 GJAB C[C@@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)N1CCCC1 6364866 ASPTWZPAXWUECD-GFCCVEGCSA-N 387.505 4.600 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ncccc2C)cc1 6604501 HJRUZIVAQSYAIK-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1NC(=O)c1ccco1 6866510 SHIAVVUDKBMTDZ-UHFFFAOYSA-N 397.814 4.533 0 40 GJAB Cc1ccc(CN(C)C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)o1 6937150 AWGIHKOEBRPVCZ-UHFFFAOYSA-N 383.448 4.708 0 40 GJAB Cc1ccc(Sc2ccc(NC(=O)CNC(=O)c3cccs3)cc2)cc1C 6982040 WXLAHBGSYNVYII-UHFFFAOYSA-N 396.537 4.885 0 40 GJAB COc1ccc(CC(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)cc1 7652058 BEVNJFUYBAYARB-FQEVSTJZSA-N 390.508 4.729 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)N(C[C@H]1CCCO1)c1nc2ccccc2s1 7777287 NNLHMCLXOKCZSY-MRXNPFEDSA-N 391.496 4.532 0 40 GJAB CC(C)C(=O)Nc1ccc(C2=Nn3cc(-c4ccccc4)nc3S[C@H]2C)cc1 7985539 QUDFDEZHRVMCNL-HNNXBMFYSA-N 390.512 4.891 0 40 GJAB Cc1ccsc1CN(C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 7988490 MQKAJNWTFKCRJR-UHFFFAOYSA-N 380.513 4.706 0 40 GJAB C[C@@H](c1nnc(SCc2ccccc2Cl)n1-c1ccc(F)cc1)N(C)C 8193247 UDAGRLBVRDGSTN-ZDUSSCGKSA-N 390.915 4.975 0 40 GJAB Cc1cccc(-c2n[nH]c(SCc3cc(=O)c4c(C)cc(C)cc4[nH]3)n2)c1 8617291 YAONIJWDWSGNML-UHFFFAOYSA-N 376.485 4.531 0 40 GJAB aggregator O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccc(F)c(F)c1 9136349 OVQCXVDOBRLTPZ-UHFFFAOYSA-N 392.405 4.697 0 40 GJAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2o1 9660112 GFKGSLQTHMJTIF-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB biogenic CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cccnc1Cl 9690956 GWWYBHQMHXNNHK-UHFFFAOYSA-N 386.860 4.893 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)c2c(C)c(C)sc2n1 11135563 CYKWSVNVISFDHO-WDMOLILDSA-N 377.579 4.602 0 40 GJAB CCCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11240373 JPDLGDXTCRBZEW-UHFFFAOYSA-N 379.435 4.541 0 40 GJAB COc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccccc1Cl 11862793 GRDKDJLEQSLORX-VOTSOKGWSA-N 397.652 4.788 0 40 GJAB Cc1cc2occ(CC(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c2cc1C(C)C 12902004 PKKGCCSOWUXQTP-AWEZNQCLSA-N 392.455 4.765 0 40 GJAB COc1ccc2cc(CN(C)[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 12902216 ZIXBKPQLKIAYNQ-DLBZAZTESA-N 394.490 4.685 0 40 GJAB Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2cccc(F)c2)cc1 13069682 JJBXDHMSXDDCLE-UHFFFAOYSA-N 389.430 4.702 0 40 GJAB O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)Nc1cccs1 13609832 ULRZUOFJOFNZDD-UHFFFAOYSA-N 379.489 4.839 0 40 GJAB CC(C)c1nc2oc3c(=O)n(Cc4ccc(Cl)cc4)cnc3c2c2c1CCC2 13721701 GOKLMIJDLTYKFJ-UHFFFAOYSA-N 393.874 4.852 0 40 GJAB O=C(COC(=O)CSc1ccc2ccccc2c1)NC1CCCCCCC1 15181498 CVGUAUPSSZVVBC-UHFFFAOYSA-N 385.529 4.704 0 40 GJAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1OC 17120938 XZNONPMPTPGDEH-UHFFFAOYSA-N 395.850 4.538 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1C 20143839 WMRJJDDRZHTGBK-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCC(Cc2ccccc2)CC1 20735735 NDUVVDIBMINKTR-NRFANRHFSA-N 382.891 4.902 0 40 GJAB COc1ccc([C@@H]2SCC(O)=Nc3n[nH]cc32)cc1OCc1ccc(F)cc1 20739386 SWUSYDCSAFGXOL-IBGZPJMESA-N 399.447 4.561 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22246140 YTPBCMCCLUAJIR-GFCCVEGCSA-N 385.464 4.834 0 40 GJAB Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCC[C@H](C)C3)c(O)n2n1 23157150 PWSSKSYDSPYWTM-KSSFIOAISA-N 384.549 4.750 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(C2CC2)nn1-c1ccccc1 23224227 MEZZLTBDKGRBQB-UHFFFAOYSA-N 381.863 4.972 0 40 GJAB COc1ccc(-c2cn3ccccc3[n+]2-c2ccc(Br)cc2)cc1 26507138 CIFRRBLADNMZTR-UHFFFAOYSA-N 380.265 4.654 0 40 GJAB CCCCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)NC3=O)cc1 27094665 QPFZEZUSNPUZJJ-UHFFFAOYSA-N 380.469 4.549 0 40 GJAB CC(=O)Nc1ccc(OC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1 29777599 ZYAPZDSTNJKUDC-UHFFFAOYSA-N 394.374 4.801 0 40 GJAB COc1ccc(S[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)cc1 30752544 WRLGEFGXSZLIGE-CQSZACIVSA-N 395.977 4.879 0 40 GJAB c1ccc(-c2nc3ccccn3c2CSc2nnc3n2CCCCC3)cc1 32671985 DNUXOXNLAVHBDY-UHFFFAOYSA-N 375.501 4.612 0 40 GJAB C[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc2c(c1)OCO2 32795345 OHPBFHZYQAWXBM-ZUOKHONESA-N 398.459 4.766 0 40 GJAB c1ccc(CCn2c(Cc3cccs3)nnc2SC[C@H]2CCCCO2)cc1 39561298 SRRTUPCNAWGFEJ-GOSISDBHSA-N 399.585 4.834 0 40 GJAB COc1ccc(NC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)cc1 40119662 GPOKFLJYAMNTHZ-FQEVSTJZSA-N 380.419 4.776 0 40 GJAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2cccc3ccccc23)CC1 48479020 DJIGMGKQXWKUIS-UHFFFAOYSA-N 379.406 4.853 0 40 GJAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c(C)c1 57486570 SKSDZXLOMQZDJD-UHFFFAOYSA-N 390.418 4.600 0 40 GJAB Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)c(C)c1 64471759 SWQLHGGUOXFHND-UHFFFAOYSA-N 377.513 4.784 0 40 GJAB CCOC(=O)c1sc2ncnc(N[C@@H](c3ncc(C)s3)C3CC3)c2c1C 84795602 DIIMNVVAFFFWBC-CYBMUJFWSA-N 388.518 4.505 0 40 GJAB CC(C)(C)OC(=O)N1CCCC[C@@]2(CCCCCN2C(=O)OC(C)(C)C)C1 96028485 RYDZNAQWNLXHMK-NRFANRHFSA-N 382.545 4.957 0 40 GJAB O=C1CC[C@@]2(CCCN(Cc3ccc(F)cc3)CC2)N1Cc1cccc(F)c1 96047552 JDEGDTFOYAKVBX-HSZRJFAPSA-N 384.470 4.512 0 40 GJAB COc1ccc(F)cc1C(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1Cl 97082093 ZZSGQRISCXJYKU-UHFFFAOYSA-N 387.798 4.667 0 40 GJAB COc1cccc2s/c(=N/C(=O)c3ccc(Oc4ccccc4)cc3)n(C)c12 97549931 QBFBWVDJXNMSDB-GHVJWSGMSA-N 390.464 4.782 0 40 GJAB CC1=Nc2ccccc2N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C(=O)C1 100814856 QJMLIWOWMYNYQQ-GOSISDBHSA-N 397.478 4.685 0 40 GJAB CN(C)[C@@H](CNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccc1Cl 195533612 ZGUFFRUYRWVNON-MUPOMJOGSA-N 395.374 4.637 0 40 GJAB C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc2c(c1)OCCO2 222700706 KCJLCZXIPWUUTK-SFHVURJKSA-N 387.479 4.734 0 40 GJAB COC(=O)c1cc2cc(NC(=S)N[C@@H](C)CCc3ccccc3)ccc2s1 225213726 WBHLXHLWLZUAKL-AWEZNQCLSA-N 398.553 4.996 0 40 GJAB CCOc1cccc(NC(=S)NCCCSc2ccc(OC)cc2)c1 225803410 CKPFZFUAWZNKEQ-UHFFFAOYSA-N 376.547 4.563 0 40 GJAB CNc1nc(-c2ccc(OC)c(NC(=O)/C=C/c3ccc(OC)cc3)c2)cs1 226092432 AXVGUWAMNBFIGF-IZZDOVSWSA-N 395.484 4.521 0 40 GJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260812427 BFZAJVMNDAMSDN-XXBNENTESA-N 390.568 4.864 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)SCc2ccccc2)CC1 302969860 RZTYKGSMSRJPNJ-QGZVFWFLSA-N 388.964 4.619 0 40 GJAB O=C(CSCc1ccccc1)NCCSCc1c(F)cccc1Cl 409025090 QJUNTSFAKZJMAP-UHFFFAOYSA-N 383.941 4.762 0 40 GJAB COc1ccc(-c2csc(NC(=O)[C@H](C)Nc3cccc4cc[nH]c34)n2)cc1 547806724 DJLLVWNVZDCXOK-ZDUSSCGKSA-N 392.484 4.739 0 40 GJAB COc1ccc(Nc2nc(C(=O)N3CCc4cc(F)ccc4[C@@H]3C)cs2)cc1 673676458 XZAROOFRVXZDCJ-ZDUSSCGKSA-N 397.475 4.794 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CCCCCC2 694505 UXRQTJZAGLFROJ-UHFFFAOYSA-N 392.908 4.885 0 40 GJAB O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 1013032 MJNAGJQSHCWOGP-VIZOYTHASA-N 380.252 4.936 0 40 GJAB CCOc1ccc(NC(=O)N2CCC[C@H](c3nc4cc(C)c(C)cc4[nH]3)C2)cc1 1350242 OXCTZDXCUFBUAB-KRWDZBQOSA-N 392.503 4.990 0 40 GJAB CC[C@@H](C)[C@H](C(=O)Nc1c(C)cc(C)cc1Cl)N1C(=O)c2ccccc2C1=O 1910533 CNNMRPJXAJIPCW-BFUOFWGJSA-N 398.890 4.606 0 40 GJAB O=C(COc1c(-c2ccco2)oc2ccccc2c1=O)Nc1ccc(Cl)cc1 1978993 IDJGIYBKWBCVQA-UHFFFAOYSA-N 395.798 4.724 0 40 GJAB COC(=O)COc1ccc(-c2nnc(Nc3cccc(C)c3)c3ccccc23)cc1 2266198 LNZALBWIZNVEOP-UHFFFAOYSA-N 399.450 4.901 0 40 GJAB CCCSc1nc(N[C@@H](CC)CO)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2451182 QPGMAKRMYWTZCS-BUXKBTBVSA-N 395.594 4.618 0 40 GJAB CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2)oc1N1CCCCC1 3109801 RVMRWPKATRBHTF-UHFFFAOYSA-N 398.827 4.877 0 40 GJAB C[C@@H]1CCc2sc(C(=O)OCC(=O)c3ccc(Br)s3)cc2C1 3380951 UUXFNZUNQHSRQS-SECBINFHSA-N 399.331 4.737 0 40 GJAB COc1ccc(-n2cnnc2SCCOc2ccc(Cl)cc2Cl)cc1 3397645 FXVGJNBKWAOBEG-UHFFFAOYSA-N 396.299 4.754 0 40 GJAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 3416346 VQZMNNJNLUBAJP-IBGZPJMESA-N 376.481 4.658 0 40 GJAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](CCc3ccccc3)[C@H]1[C@H]2C 4024029 FCPKYEAPHJRRQX-OLBMPHTCSA-N 385.548 4.987 0 40 GJAB biogenic COc1ccc(C(=O)NCC[C@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4044845 OVEJXWIQAFPTFM-IFMALSPDSA-N 381.516 4.804 0 40 GJAB biogenic O=C(Nc1nnc(-c2ccccc2)s1)c1cc(Br)ccc1Cl 4079006 PLHUAGGAAMOHKD-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc2c(c1)OCO2 4849282 LKYKGSDGJCVTNT-UHFFFAOYSA-N 380.469 4.565 0 40 GJAB Cc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccccc1F 4936934 CPPSFMJKXNEALD-UHFFFAOYSA-N 389.401 4.867 0 40 GJAB O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccc(O)cc2)N1c1ccccc1 6785609 VMDGGUCJGIMQTO-QFIPXVFZSA-N 385.398 4.671 0 40 GJAB Cn1ccnc1[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1 8156680 BIGBEURFKCNGIY-JOCHJYFZSA-N 389.886 4.675 0 40 GJAB Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4ccccc4)c12)COCC3 8706671 IYAHRVMBSJPMAF-UHFFFAOYSA-N 386.476 4.849 0 40 GJAB O=C(c1ccccc1)c1c2c3c(c(Cl)ccc3[nH]c1=O)C(=O)c1ccccc1-2 8922442 KFEGDNUJIVYEDF-UHFFFAOYSA-N 385.806 4.624 0 40 GJAB biogenic CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 12157622 VJEWBXQKKFUZPD-YOEHRIQHSA-N 398.359 4.539 0 40 GJAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3c(C)noc3C)no2)cc1 12185519 OHPLRZLAHJCXKL-LJQANCHMSA-N 395.459 4.713 0 40 GJAB Cc1cc(-c2cnc(NCCCN3CCCC[C@@H]3C)nc2-c2ccoc2C)on1 12251502 SWPOIOGWGGVJHY-INIZCTEOSA-N 395.507 4.685 0 40 GJAB CCN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O 12539676 LFNLLSMERIHQHW-CQSZACIVSA-N 388.298 4.727 0 40 GJAB Cc1ccc(-n2nc(C)c(NC(=O)CCCC(=O)c3cccs3)c2C)cc1 12728399 UIWXPCZLHTWCGN-UHFFFAOYSA-N 381.501 4.851 0 40 GJAB COC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 15193983 MSSHEZFQCKDWGP-UHFFFAOYSA-N 397.296 4.825 0 40 GJAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 19081662 VPOWPDPZMKIFQQ-GUDVDZBRSA-N 388.602 4.672 0 40 GJAB c1ccc(C2=N[C@@H](N3CCCCC3)[C@H](N3CCCCC3)N2c2ccccc2)cc1 19327824 PBHACELTUMHJRL-LOSJGSFVSA-N 388.559 4.577 0 40 GJAB CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(Oc3ncccn3)cc2)cc1 19450543 VGLNOLMKSSGTJQ-INIZCTEOSA-N 377.444 4.547 0 40 GJAB Cc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1C 20241739 PDHQEMVPBDIASW-UHFFFAOYSA-N 399.538 4.878 0 40 GJAB O=C(NCCc1ccccc1)c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 20436539 ZTQFHWIUYWHQGY-MRXNPFEDSA-N 391.311 4.531 0 40 GJAB CCCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1C)C1=CCCCC1 21397576 CSIUXGCQHNQEDA-UHFFFAOYSA-N 384.549 4.579 0 40 GJAB O=C(NCCc1ccccc1)c1cccnc1Nc1ccccc1Br 22072249 FSSURSKHVPYBSK-UHFFFAOYSA-N 396.288 4.560 0 40 GJAB CCn1cc(C(=O)Nc2ccc(C)cc2C)c(=O)c2cc(C(F)(F)F)ccc21 22236723 PSDZVDCSWGEMNG-UHFFFAOYSA-N 388.389 4.909 0 40 GJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc21 22502687 ZSXVNAZDKVFBEB-UHFFFAOYSA-N 385.895 4.597 0 40 GJAB C[C@H](NCc1ccc(OCc2ccncc2)cc1)c1ccc(-n2ccnc2)cc1 30544916 OTADZWKBIFEFRR-IBGZPJMESA-N 384.483 4.697 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 39995534 NVIAEQQCQWFCFY-CYBMUJFWSA-N 381.442 4.595 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(Cl)cc2)c(OC)c1 40288565 QOPNIRHUZOHIIL-HNNXBMFYSA-N 383.835 4.667 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 44883348 NNSAXBTUKRRFRE-MRXNPFEDSA-N 382.243 4.576 0 40 GJAB Cc1nc2ccc(NC(=O)C(=O)N[C@@H](C)c3ccc4ccccc4c3)cc2s1 48800963 FSNLQCZCXNVFNL-ZDUSSCGKSA-N 389.480 4.574 0 40 GJAB O=C(c1ccccc1F)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58430424 YHXPAEBMNKYGIA-UHFFFAOYSA-N 385.389 4.514 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Br)cc2)[nH]1 71973389 SEJWRHUDDTVGHP-HNNXBMFYSA-N 392.297 4.911 0 40 GJAB Cc1n[nH]c(C(=O)N(C2CC2)[C@H](C)c2ccc3ccccc3c2)c1Br 95369461 XUQOBLQALALPHV-CYBMUJFWSA-N 398.304 5.000 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\Nc3cc(O)ccc3C)c3ccccc3C2=O)cc1C 102624548 DDBDOWQBZWMGCV-HMAPJEAMSA-N 398.462 4.957 0 40 GJAB Cc1ccc2c(c1)cc(C(=O)Nc1ccc3c(c1)nc(C(F)(F)F)n3C)n2C 141573445 YSXVHOLTSIZNTP-UHFFFAOYSA-N 386.377 4.645 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1cccc(OC(C)C)c1 219374595 RQWKKBPELPAUPE-QFIPXVFZSA-N 383.532 4.997 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223091505 LYOYGMLQMOOBHL-VQTJNVASSA-N 382.577 4.943 0 40 GJAB CCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 223954325 PVYMDDPWISYGBI-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1cc(C)ccc1C 224043610 ASZJRJIWUAXLBZ-IBGZPJMESA-N 375.896 4.618 0 40 GJAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc(N2CCCCC2)cc1 224670168 PTTVVUPIFHLGJE-UHFFFAOYSA-N 391.559 4.593 0 40 GJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225692917 RNPINJKJDFHXLS-SELNLUPBSA-N 390.568 4.577 0 40 GJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225735003 SXTKTYVKMQXUGA-HSZRJFAPSA-N 392.584 4.967 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CCOCC1 225932647 CTQHZGLPFRWZDR-UHFFFAOYSA-N 399.796 4.926 0 40 GJAB O=C(Nc1ccc2nc(-c3ccccc3Br)oc2c1)C(F)(F)F 226270874 XILCWNQUYQEXLE-UHFFFAOYSA-N 385.139 4.758 0 40 GJAB Cc1cc([C@H]2CCCCN2C(=O)c2ccc(F)cc2)nc(-c2c(C)noc2C)n1 257311633 UKJIVWISGYQIEW-LJQANCHMSA-N 394.450 4.563 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)C1(c2cccs2)CCCC1 390830927 OKCBINMECAQXQH-OAHLLOKOSA-N 387.526 4.731 0 40 GJAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccccc2)cc1 408697616 IPQJZOIWCOQKHZ-UHFFFAOYSA-N 398.466 4.894 0 40 GJAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1ccccc1Cl 409228306 XBEJABXOXRRTFI-UHFFFAOYSA-N 388.920 4.519 0 40 GJAB Cn1c([C@H]2CCCCN2C(=O)CCCCCn2cccc2)nc2ccccc21 604419203 LKEUUDOUOXKUQM-OAQYLSRUSA-N 378.520 4.689 0 40 GJAB O=C(c1ccccc1Br)N1CC(Cc2cccc(C(F)(F)F)c2)C1 646676653 ZNXDUGGDAKEQLH-UHFFFAOYSA-N 398.222 4.783 0 40 GJAB Cc1cc(C)n(-c2ccccc2NC(=O)N[C@@H](C)c2cc3cnccc3o2)n1 1562126323 XRRFGEZIDDVTHS-HNNXBMFYSA-N 375.432 4.513 0 40 GJAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)Nc1cccc(C(F)(F)F)c1 1775968365 DEUSWQCVSYDADU-AWEZNQCLSA-N 396.390 4.882 0 40 GJAB Cc1cccc2c(SCC(=O)N3CCCCC3)nc(-c3ccccc3)nc12 907693 YFRRRIBAVMVTHT-UHFFFAOYSA-N 377.513 4.710 0 40 GJAB COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)c2ccccc2)cc1 907978 AMCNQVFOQSGEFZ-UHFFFAOYSA-N 385.419 4.649 0 40 GJAB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(C)c1 954895 ANOHWFLGIZEFFA-VMPITWQZSA-N 378.255 4.805 0 40 GJAB FC(F)(F)c1ccc(-c2oncc2-c2nnnn2-c2ccc(Cl)cc2)cc1 1032877 TWUUNBMFADIKRJ-UHFFFAOYSA-N 391.740 4.657 0 40 GJAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2Br)cc1OC 1918674 WOPZYEMLJHKXRR-PKNBQFBNSA-N 390.277 4.898 0 40 GJAB CC1(C)Cc2c(sc3nc(SCc4ccccc4F)nc(N)c23)CO1 2213995 UPOCXUNRNVLSIU-UHFFFAOYSA-N 375.494 4.556 0 40 GJAB CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1ccccc1F 2645177 LKVYZOMZFDZYPB-UHFFFAOYSA-N 385.464 4.608 0 40 GJAB Cc1cc(C)nc(SCc2nnc(SC(C)C)n2CCc2ccccc2)n1 2706259 WRNOEHRDYUIUPI-UHFFFAOYSA-N 399.589 4.720 0 40 GJAB CN(C)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 3195987 JQIXTLLJTDSJSC-UHFFFAOYSA-N 382.467 4.858 0 40 GJAB Cc1ccc(-n2c(S[C@@H]3CCCCC3=O)nc3cc(Cl)ccc3c2=O)cc1 3406650 IADNDEKPJNOYQE-LJQANCHMSA-N 398.915 4.951 0 40 GJAB O=C(c1c(F)cccc1F)N1C[C@@H]2CCCN2c2ccc(C(F)(F)F)cc21 4051064 KYGCXQFFOYZMDN-LBPRGKRZSA-N 382.332 4.613 0 40 GJAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2C)n2c(nc3ccccc32)N1 4735576 DQIRGZKKDJATBP-NRFANRHFSA-N 375.472 4.977 0 40 GJAB CCC(C)(C)NC(=O)CSc1nc2ccccc2n1Cc1ccccc1F 4945646 ILJGUPHHOXVXKO-UHFFFAOYSA-N 385.508 4.621 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1CCc1ccccc1 5576695 CINZTHPTYVAVOF-JOCHJYFZSA-N 399.421 4.720 0 40 GJAB O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 5602374 CFRMYDNDSNZXJV-UHFFFAOYSA-N 385.916 4.841 0 40 GJAB CCOc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)cc1 5967539 VEFRVHCMOKJOJG-UHFFFAOYSA-N 378.520 4.533 0 40 GJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)c(Cl)c1 6085484 ATKHPGBYWAKSAP-UHFFFAOYSA-N 382.287 4.692 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc3ccccn23)c2ccccc2)c1 6114709 CKXSAYQGSDIQHU-HXUWFJFHSA-N 388.496 4.818 0 40 GJAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 6609533 PGFQILLAQPYULB-UHFFFAOYSA-N 385.769 4.771 0 40 GJAB CCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 6654739 LSJXSFIIJOKASO-DHDCSXOGSA-N 392.820 4.955 0 40 GJAB O=C(COCc1cc(-c2cccs2)on1)Nc1cccc(Cl)c1Cl 6876555 ZKYQYBNYIMRXGR-UHFFFAOYSA-N 383.256 4.865 0 40 GJAB Cc1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2Cl)CS3)cc1 7166058 JLYVTNNPNSQSFX-UHFFFAOYSA-N 375.284 4.918 0 40 GJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(F)c(OC)c3)ccc21 7360557 ANXQAVCOVBBGPL-UHFFFAOYSA-N 398.459 4.763 0 40 GJAB CCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccs3)sc2c1 7424680 IYZGJYPPABTYPQ-UHFFFAOYSA-N 396.541 4.854 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1nc2ccccc2s1 7689026 FMCYTTDHYUURHD-UHFFFAOYSA-N 380.300 4.674 0 40 GJAB Cc1cc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)on1 8187304 GWKJLWCWKWCUNS-UHFFFAOYSA-N 386.864 4.829 0 40 GJAB CCc1ccc(-c2noc(CSc3nc4ccccc4n3CCOC)n2)cc1 8394799 GYNICZUJNMNVNN-UHFFFAOYSA-N 394.500 4.587 0 40 GJAB Clc1ccc(-c2nnc(SCCCc3nc(-c4ccncc4)no3)o2)cc1 12924216 CXWIOSKYQFHPBQ-UHFFFAOYSA-N 399.863 4.560 0 40 GJAB CCc1ccc(Cl)c(CC)c1NC(=O)Cc1ccc(N2CCCC2=O)cc1 12944784 DCMBWHPZUBICST-UHFFFAOYSA-N 384.907 4.773 0 40 GJAB C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1Cl 13049338 DXRSJRDQBBIITQ-AWEZNQCLSA-N 397.862 4.746 0 40 GJAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCCc1ccc(Cl)cc1 13676508 MWCPENJZFINEQN-UHFFFAOYSA-N 392.735 4.699 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13686949 JUJJIHXLQVIKBN-UHFFFAOYSA-N 375.424 4.695 0 40 GJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)c1 13710354 XGSGJNLIXZZORZ-INIZCTEOSA-N 377.937 4.774 0 40 GJAB Fc1ccccc1CN(CCCn1ccnc1)Cc1c[nH]nc1-c1cccs1 13991322 VJHFMEYGOPPEBQ-UHFFFAOYSA-N 395.507 4.566 0 40 GJAB COc1ccc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 14170463 GEQPQWFVTNOLDR-UHFFFAOYSA-N 385.485 4.858 0 40 GJAB O=S(=O)(c1nc2ccccc2s1)N(C1CCCCC1)C1CCCCC1 14984305 CMKDPNYJYNDKQH-UHFFFAOYSA-N 378.563 4.952 0 40 GJAB Cc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cccc(C)c3C)cs2)cc1 15832552 DFHVZGSQLGCBIT-KRWDZBQOSA-N 380.513 4.819 0 40 GJAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(Cc1ccccc1)C3 20403898 GFFMJJFCQKKIQC-UHFFFAOYSA-N 381.859 4.677 0 40 GJAB Cc1cccc(C(=O)Nc2c(C(=O)N3CCC(C)CC3)[nH]c3ccc(C)cc23)c1 21362258 YXDDQNQFFDGCFF-UHFFFAOYSA-N 389.499 4.909 0 40 GJAB O=C(NCc1ccccc1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22071986 GFCKTPFAUAZVMA-UHFFFAOYSA-N 387.361 4.654 0 40 GJAB COc1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)ccc1OCCc1ccccc1 22107671 UNECLYAUMKSQFN-UQBPGWFLSA-N 391.511 4.528 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCc1csc(-c2ccc(C)cc2)n1 28288806 AMGQPSDTFVWTHL-HXUWFJFHSA-N 398.503 4.774 0 40 GJAB O=C(CCc1cccc(Cl)c1Cl)Nc1ccc(N2CCCC2=O)cc1 31700386 NIEOMAWZURWMEO-UHFFFAOYSA-N 377.271 4.692 0 40 GJAB CCc1c(C(=O)Nc2cccc(F)c2)cnn1-c1ccc(Br)cc1 32915722 XRMCLJLBIJCLKW-UHFFFAOYSA-N 388.240 4.589 0 40 GJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)c3ccccc3)n2CC)cc1 33693904 ICGWZAYIYRXILK-INIZCTEOSA-N 395.528 4.975 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 36697779 FZJDNGPPENGUGH-AVRDEDQJSA-N 384.479 4.884 0 40 GJAB O=C(CSCc1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21 38757212 ADGORLFEWAGMQV-GOSISDBHSA-N 390.346 4.876 0 40 GJAB CCN(CC)Cc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 39763696 BRLIYFAWGHJRPZ-UHFFFAOYSA-N 393.575 4.688 0 40 GJAB CCc1nn2c(ncc3c(=O)n(C4CCCC4)ccc32)c1-c1ccc(F)cc1 40396752 GUGKXOLZAFFJKK-UHFFFAOYSA-N 376.435 4.528 0 40 GJAB Cc1cc(-c2oc(/C=C/C(=O)O)cc2Br)ccc1Br 40544924 WRCXFZCXCSOVJI-HWKANZROSA-N 386.039 4.878 0 40 GJAB O=C(NC1CCCCC1)c1cc(Br)cc(Br)c1Cl 41127315 KOMRYXUAPJJGKT-UHFFFAOYSA-N 395.522 4.928 0 40 GJAB Cc1noc(C)c1CSCC(=O)Nc1ccccc1N(C)Cc1ccccc1 48343426 LANZQKVPKOIISW-UHFFFAOYSA-N 395.528 4.800 0 40 GJAB CC(C)(C)Cc1noc2ncc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cc12 84169915 YWBWDVVQVWMCNC-QWHCGFSZSA-N 383.414 4.662 0 40 GJAB Fc1ccc([C@@H]2CN(C(=S)Nc3ccc(SC(F)F)cc3)CCO2)cc1 84393627 JEOJWWOUVIMKJG-INIZCTEOSA-N 398.475 4.911 0 40 GJAB O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCC[C@H]1c1ccncc1 84490546 HYZSSQZRKWPHQU-INIZCTEOSA-N 384.386 4.600 0 40 GJAB O=C(CCCc1ccc2c(c1)-c1ccccc1C2)NCC1(CCO)CCCC1 95416050 SLEBGPOGYLIGAZ-UHFFFAOYSA-N 377.528 4.640 0 40 GJAB COc1ccc(NC(=O)c2sc3nccn3c2C)cc1Cc1ccccc1 95448705 RFRLLLWRZRAJMX-UHFFFAOYSA-N 377.469 4.556 0 40 GJAB COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H](c1ccco1)CC(=O)O2 96116256 SXCMGMPJSXEJFO-AWEZNQCLSA-N 388.375 4.503 0 40 GJAB biogenic CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@H](CC)C2 100631275 JZDDWFWBEDLKSG-DSJMHWKBSA-N 375.534 4.814 0 40 GJAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1F 107582394 AFNWAWXVXVMDJP-UHFFFAOYSA-N 391.899 4.596 0 40 GJAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1 142407071 ADYITPCIKQLRNK-KRWDZBQOSA-N 383.488 4.559 0 40 GJAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCC1=CCCCC1 222833564 XBNBGJTVHTZQSB-KRWDZBQOSA-N 390.955 4.720 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224183882 SYYDPPBCATXILN-FQEVSTJZSA-N 375.896 4.563 0 40 GJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCC1 224782815 BFTFUPYCNIWLQG-IBGZPJMESA-N 388.511 4.519 0 40 GJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 225075128 GHMCMSRXKCQBDC-RTWAWAEBSA-N 394.559 4.568 0 40 GJAB CCO[C@]1(C(=O)Nc2ccc(O[C@H](C)COC)c(Cl)c2)CCC[C@@H](C)C1 225718876 ZYBWDZHVSVXTSK-STXHMFSFSA-N 383.916 4.678 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)N[C@@H](C)CC 225748134 VXVAMZHDXNHHHQ-GUYCJALGSA-N 387.351 4.815 0 40 GJAB COc1ccc(NCN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 408719570 WTDQNYWQCVHSRI-XDHOZWIPSA-N 382.485 4.925 0 40 GJAB Cc1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)o1 409151972 DBJFGNKZSQDRRE-RIYZIHGNSA-N 378.247 4.587 0 40 GJAB Cc1ccc(C(=O)CCC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 409204462 GUXHNZCSHYJUAZ-UHFFFAOYSA-N 376.481 4.819 0 40 GJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 409328537 XEVKFCGTQAVYFC-UHFFFAOYSA-N 397.500 4.559 0 40 GJAB CC(C)c1c(-c2ccccc2)[nH]c2c(I)cccc2c1=O 685938028 AMFLZHOGQVSPDF-UHFFFAOYSA-N 389.236 4.923 0 40 GJAB Cc1c(C)c(C)c(S(=O)(=O)N(Cc2cccc(O)c2)CC2CC2)c(C)c1C 1187274808 LIOJJGUAYXMTDN-UHFFFAOYSA-N 387.545 4.535 0 40 GJAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1csc(-c2ccccc2)n1 1775968996 RDYSAPRBPSWWRG-MRXNPFEDSA-N 396.493 4.595 0 40 GJAB Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2N2CCCCC2)cc1 865458 WOWRPUGKEIXSJV-UHFFFAOYSA-N 396.512 4.782 0 40 GJAB CCc1ccc2nc(SCC(=O)Nc3ccc(C(=O)OC)cc3)c(C)cc2c1 932931 KMAQEJUWJLSEPM-UHFFFAOYSA-N 394.496 4.623 0 40 GJAB O=C1[C@@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=O)N1c1ccc(Cl)cc1 1443398 NDNKIYNWFNOLOC-HOCLYGCPSA-N 379.268 4.576 0 40 GJAB CC(C)c1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)n3nnnc3N2)cc1 2500115 VLCVTYCRSXJBCT-ROUUACIJSA-N 398.308 4.705 0 40 GJAB CCCCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(OC)cc1 2621409 CLXDNJFEYLYLRW-UHFFFAOYSA-N 399.491 4.868 0 40 GJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc[nH]1 2640560 SRRMVSLRECTROZ-UHFFFAOYSA-N 394.887 4.891 0 40 GJAB COc1ccc(C)cc1-n1nnnc1SC(c1ccccc1)c1ccccc1 2655544 QTOQLNIPBURWBA-UHFFFAOYSA-N 388.496 4.861 0 40 GJAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 2723223 FNQRCSWVLMXTJE-UHFFFAOYSA-N 387.892 4.655 0 40 GJAB Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c1C 2951285 PISOBJVMJUCTEG-ATJXCDBQSA-N 375.453 4.991 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1C(F)(F)F 3378826 BNEFUQKHPFWCNJ-KEYYUXOJSA-N 386.410 4.866 0 40 GJAB CCSc1nnc2c(n1)O[C@@H](c1cccc(O)c1Cl)Nc1ccccc1-2 3653301 SJIITSIWAFWGFE-INIZCTEOSA-N 386.864 4.513 0 40 GJAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 4554891 FDJCLIHDJDUXGL-SANMLTNESA-N 399.490 4.961 0 40 GJAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2c(Cl)cccc2Cl)N3)C1 4556146 POXBJGKJDGULBQ-OAHLLOKOSA-N 382.316 4.862 0 40 GJAB O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)c1ccc(F)cc1 5027239 ZRNXLLILLPXUCM-UHFFFAOYSA-N 396.491 4.959 0 40 GJAB COc1cc(OC)cc(OCC(=O)Nc2ccccc2Oc2ccccc2)c1 5476692 NOCMRBCAKLIRAE-UHFFFAOYSA-N 379.412 4.514 0 40 GJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1 6172436 LKICNKGFXQMNHO-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(C(=O)c2ccccc2)cc1 6423131 YVXCPZDASDRYNB-UHFFFAOYSA-N 385.448 4.688 0 40 GJAB Cc1c(Cl)cccc1-n1c(-c2ccccc2)cnc1S[C@@H]1CCOC1=O 6972810 PHCYVWQFVPVQDV-GOSISDBHSA-N 384.888 4.909 0 40 GJAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1cccc2ccccc12 7551290 JJDICYHKQIGWML-CQSZACIVSA-N 392.528 4.613 0 40 GJAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)/C=C/c1cc(Br)ccc1F 7778038 DPAWOUKDORJSQC-QBBOHKLWSA-N 394.206 4.791 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(CN2CCC[C@@H]2c2cccn2C)cs1 7855270 KGWUULQILYGKGB-HXUWFJFHSA-N 380.517 4.503 0 40 GJAB C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(-n2cncn2)cc1 8271917 VHLXACIKUHRYQZ-LJQANCHMSA-N 396.494 4.667 0 40 GJAB Cc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1Br 8301218 YSGGBYPSDOKHSP-UHFFFAOYSA-N 380.110 4.705 0 40 GJAB Cc1ccc(NC(=O)[C@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1 8341752 YPMFDWWJHCTMNG-HSZRJFAPSA-N 399.494 4.679 0 40 GJAB CCc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 8395372 FPXSYZNIEJTXIG-UHFFFAOYSA-N 380.469 4.593 0 40 GJAB CCOc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1OCC 10860348 MQLHRVUQEAEQKK-UHFFFAOYSA-N 383.366 4.520 0 40 GJAB CCCn1ccnc1SCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 11234404 XFJHUEFXYCGFSO-LJQANCHMSA-N 393.512 4.552 0 40 GJAB Cc1ccc(-n2ccnc2S[C@H](C)c2nc3ccccc3c(=O)[nH]2)c(C)c1 11424729 ZXIMVPSNBJOZFP-OAHLLOKOSA-N 376.485 4.579 0 40 GJAB Cc1cccnc1C1(O)[C@H]2CCC[C@@H]1CN(Cc1ccc(Cl)c(Cl)c1)C2 12089085 CWENTLVNHHEKEY-QRTHJKPMSA-N 391.342 4.817 0 40 GJAB COc1cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(C)n1 12225744 RBIOYYFGVAYKJX-UHFFFAOYSA-N 383.839 4.835 0 40 GJAB CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccco4)=NN23)cc1 12273886 LJWGHTGAKNXIMX-XXBNENTESA-N 390.439 4.929 0 40 GJAB Cc1nc(Cc2ccccc2)nc2sc(C(=O)Nc3nccs3)c(C)c12 12391405 LBJPDPRGISOFPO-UHFFFAOYSA-N 380.498 4.608 0 40 GJAB Cc1cc(CNC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)ccc1F 12551064 UERLCNBJVTXOBP-UHFFFAOYSA-N 397.450 4.508 0 40 GJAB COc1ccc(NC(=O)c2cccnc2SCC(F)(F)F)cc1Cl 12904100 RCQXJIDMBUPASC-UHFFFAOYSA-N 376.787 4.650 0 40 GJAB C[C@H](NC(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1 12920227 VKLJNQKKSCJXRB-DLBZAZTESA-N 393.556 4.742 0 40 GJAB CCn1c(-c2ccncc2)nn(CN(C)Cc2ccc(C(C)(C)C)cc2)c1=S 14197168 WVMUYVXXJRSJNC-UHFFFAOYSA-N 395.576 4.883 0 40 GJAB CN(CN1C(=O)CC2(CCCCC2)C1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 14197200 JHPWJUPTUSZIIR-QFIPXVFZSA-N 394.490 4.514 0 40 GJAB CCCn1c(NC(=O)Cc2csc(-c3cccs3)n2)nc2ccccc21 17341871 FSYOKBJADXJWLE-UHFFFAOYSA-N 382.514 4.813 0 40 GJAB Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)oc2ccc(Cl)cc12 18117976 AFIRAKPNKYBKJQ-UHFFFAOYSA-N 388.876 4.686 0 40 GJAB Cc1noc(C)c1CCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 23124609 IVPDXFBZNFAYQH-UHFFFAOYSA-N 380.288 4.900 0 40 GJAB Fc1c(F)c(F)c(CSc2nnc3sc4ccccc4n23)c(F)c1F 23560673 CGBHIPFXDYCXTF-UHFFFAOYSA-N 387.358 4.932 0 40 GJAB CSc1ncc(C(=O)N[C@H]2CCSc3ccccc32)n1-c1ccc(F)cc1 24773248 SWPFJEVGNGULPQ-INIZCTEOSA-N 399.516 4.700 0 40 GJAB CC(=O)c1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1 28226416 HTNUOVUCHQVKDQ-UHFFFAOYSA-N 375.424 4.802 0 40 GJAB Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCCC3)c(C)c2cc1C 28287035 VMGPMEFTJFSQNR-GOSISDBHSA-N 382.529 4.986 0 40 GJAB Cc1cc(OCC(=O)N(C)Cc2nc3ccccc3[nH]2)c(C(C)C)cc1Cl 30657414 NGNIZBZOTKZEJU-UHFFFAOYSA-N 385.895 4.686 0 40 GJAB COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(F)cc1 33409965 DLDYIIDVTPRSFS-UNOMPAQXSA-N 375.399 4.906 0 40 GJAB COc1cccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 38834180 NXJWWJDVIHZRMJ-AWEZNQCLSA-N 393.314 4.853 0 40 GJAB Cc1ccc(Cc2cnc(NC(=O)c3oc4c(c3C)C(=O)CCC4)s2)cc1F 40133429 FOXVEDBNXMATLS-UHFFFAOYSA-N 398.459 4.854 0 40 GJAB CCOc1cccc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 48781151 FRDCUQBOWAHLDU-UHFFFAOYSA-N 378.447 4.767 0 40 GJAB C[C@@H](Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12)C(C)(C)O 58162248 AYICTJHQZIQKPO-CQSZACIVSA-N 390.512 4.992 0 40 GJAB O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1cc(-c2ccccc2F)on1 58429351 SACOBXAFHOIXFW-UHFFFAOYSA-N 387.361 4.611 0 40 GJAB Cc1nc(-c2ccc3ccccc3c2)n(CC(=O)Nc2ccc(F)c(Cl)c2)n1 58439312 CNKQHVXCCINRKV-UHFFFAOYSA-N 394.837 4.838 0 40 GJAB Cc1cccc(N2CCN(C(=O)CCC(=O)c3ccc(CC(C)C)cc3)CC2)c1 58804048 AKAMABXZPKWRDS-UHFFFAOYSA-N 392.543 4.505 0 40 GJAB C[C@H]1C[C@H](C)CN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1 65491831 SVXFYLQIFKGLAS-UWVGGRQHSA-N 385.352 4.752 0 40 GJAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1 70640006 FNGCNDHBIRSKOK-HXUWFJFHSA-N 385.385 4.836 0 40 GJAB COc1ccccc1Cc1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 72348641 FLQNGSBEKCWDQW-OAQYLSRUSA-N 386.495 4.701 0 40 GJAB O=C1CCCC[C@H]1[C@@H]1CCCCCN1C(=O)c1csc(Br)c1 79066563 IFTJFAAXFKZOQF-KBPBESRZSA-N 384.339 4.655 0 40 GJAB COc1ccc(NC(=O)N2CCO[C@H](c3cc(Cl)cc(Cl)c3)C2)cc1 90613860 JJLVKQRSGDGRIJ-KRWDZBQOSA-N 381.259 4.607 0 40 GJAB COc1cc2[nH]c3c(N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)ncnc3c2cc1OC 100748736 HQGYCKJNSBGJGT-DMZKTXOQSA-N 380.492 4.533 0 40 GJAB biogenic CCSc1nc2n(n1)[C@H](c1cccc(OC)c1)C1=C(O)CC(C)(C)CC1=N2 102668805 DTNRCNWWNZBOQN-QGZVFWFLSA-N 384.505 4.706 0 40 GJAB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102703609 IZLCXQURFXKYCG-LHSJRXKWSA-N 392.409 4.930 0 40 GJAB CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC)o2)cc1 222802971 GLUXHQYGWFKGGK-SFTDATJTSA-N 393.512 4.733 0 40 GJAB C[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc2c(c1)CCCC2 222927116 JIJBEHKHCXLDTR-MRXNPFEDSA-N 384.479 4.556 0 40 GJAB Cc1cc(C)cc(CSCC(=O)NCCOc2ccc3ccccc3c2)c1 223581583 JQIREOBKSJJPKP-UHFFFAOYSA-N 379.525 4.885 0 40 GJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)c1 224225811 DMLBDQWFFMLCHW-LEWJYISDSA-N 376.529 4.950 0 40 GJAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)c(C)c1C 225298976 WFFCIQVCIAVWAD-QHCPKHFHSA-N 395.524 4.688 0 40 GJAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NC1CCCCC1 225830744 AIZASQNMNFUOPH-UHFFFAOYSA-N 375.472 4.785 0 40 GJAB O=C(Nc1ccc2nc(-c3ccc(Br)cc3)oc2c1)C(F)(F)F 226270930 DAMSXOZMFMXGAL-UHFFFAOYSA-N 385.139 4.758 0 40 GJAB COc1ccccc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl 226288193 GBRWPDRGBPTZOV-UHFFFAOYSA-N 392.842 4.761 0 40 GJAB Nc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1F 226365473 PWJZVBBGFZDQFQ-UHFFFAOYSA-N 375.197 4.683 0 40 GJAB Cc1nc2ccccn2c1-c1nnc2sc(/C=C/c3ccc(Cl)cc3)nn12 227143663 VCESSYCYNSUGDC-JXMROGBWSA-N 392.875 4.633 0 40 GJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(C)cc3C)sc2n1 408619564 JCPMPVLTJFYSGS-UHFFFAOYSA-N 398.557 4.883 0 40 GJAB CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2ccc(C)cc2)C1=O 409232760 PNMRCMSLNDUCLH-KGENOOAVSA-N 386.451 4.640 0 40 GJAB CC[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 589411808 DAPITVHFLWUZHK-QGZVFWFLSA-N 393.418 4.755 0 40 GJAB CC(C)n1cc(CCNC(=O)C2(c3ccccc3)CCOCC2)c2ccccc21 604418517 JKQZWTPBZKSLHA-UHFFFAOYSA-N 390.527 4.629 0 40 GJAB CCNc1cc(CNC(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)ccn1 1221926637 BNRQWEZTCJGTAL-HXUWFJFHSA-N 380.492 4.765 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3cc(-c4cc(F)cc(F)c4)[nH]n3)n[nH]2)cc1C 1566301974 GPXJJGSSIJFXRB-UHFFFAOYSA-N 393.397 4.614 0 40 GJAB CC(=O)Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 1405029 LFZLHOXLNHSRHF-UHFFFAOYSA-N 396.422 4.899 0 40 GJAB Cc1cc(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(C)o1 1457141 DZKRUNOUIOGYNY-UHFFFAOYSA-N 389.495 4.685 0 40 GJAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc(-c2ccc(Cl)cc2)cs1 1470117 MKEWYPDSJFOTDY-KRXBUXKQSA-N 384.844 4.844 0 40 GJAB CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2411691 LNGNPWDIFPPPMN-GFCCVEGCSA-N 394.862 4.765 0 40 GJAB CCc1cccc(C)c1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3 2418087 QLZOUXUYHFYOID-UHFFFAOYSA-N 379.485 4.521 0 40 GJAB OCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 2714415 CMBQJOOWXIEKJY-UHFFFAOYSA-N 378.863 4.535 0 40 GJAB O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1)c1ccc(Cl)cc1 4550684 NGLGNHNJQPCNFJ-UHFFFAOYSA-N 394.814 4.543 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)sc(C)c1C 4558412 YYPYWFRCXGUUCX-CQSZACIVSA-N 375.490 4.564 0 40 GJAB COc1cc2c(cc1NC(=O)c1cc(=O)c3ccccc3o1)oc1ccccc12 4950400 XSMUPBGBVRYXRY-UHFFFAOYSA-N 385.375 4.953 0 40 GJAB COc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 5547246 RXDMGQRDANHXGB-RQZCQDPDSA-N 388.876 4.763 0 40 GJAB CCCCCn1c(O)c(C(=O)Nc2c(C)cccc2C)c(=O)c2ccccc21 5736202 KSXQIYSETDFMIM-UHFFFAOYSA-N 378.472 4.766 0 40 GJAB COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC 7239456 OOZOPSSHTZBWKJ-INIZCTEOSA-N 376.456 4.810 0 40 GJAB Fc1cccc(-c2nnn3c2nc(NCc2ccco2)c2cc(Cl)ccc23)c1 7615883 WVENCBXZVIWPGB-UHFFFAOYSA-N 393.809 4.942 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(CN2CCC[C@H]2c2cccn2C)cs1 7855275 KGWUULQILYGKGB-FQEVSTJZSA-N 380.517 4.503 0 40 GJAB CC(C)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 7967049 DWUQRFXELJIKES-UHFFFAOYSA-N 384.907 4.954 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 8156299 HMRHJLLDRCIBOR-ZVYZCIRASA-N 395.499 4.870 0 40 GJAB COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccccc2Cl)cc1 8168049 HHQBVIPTBLJAJY-UHFFFAOYSA-N 393.917 4.806 0 40 GJAB Cc1cccc2nc(C(=O)N3CCCC[C@H]3c3nc4ccccc4s3)cn12 8232003 OOJBJGHDLOPXFU-KRWDZBQOSA-N 376.485 4.620 0 40 GJAB Brc1ccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 8992264 RHBXOIFZQRLAPU-UHFFFAOYSA-N 396.273 4.764 0 40 GJAB O=C(CCc1ccccc1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 9136209 OHBYELFDBDPMMD-UHFFFAOYSA-N 384.479 4.737 0 40 GJAB CC(C)Cc1ccc([C@@H](C)c2nn3c(=O)c(-c4ccccc4)nnc3s2)cc1 9483634 LDWJOILEKMWBKV-OAHLLOKOSA-N 390.512 4.563 0 40 GJAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2ccc(Cl)cc2)o1 10812294 RSJMLWQZODMNOI-UHFFFAOYSA-N 383.831 4.578 0 40 GJAB CN(c1ccccc1)c1nnc(-c2ccc(NC(=O)c3ccco3)cc2)s1 11797043 QAPBIIDUYOZJCD-UHFFFAOYSA-N 376.441 4.818 0 40 GJAB COc1cccc(F)c1-c1nc(C(=O)Nc2ccc3[nH]ccc3c2)c(C)s1 11866096 AQEFDANREZAKBF-UHFFFAOYSA-N 381.432 5.000 0 40 GJAB O=C(CNC(=O)Nc1ccccc1)Nc1ccccc1SCc1ccsc1 12908146 RSWKNMJIDNHRCG-UHFFFAOYSA-N 397.525 4.801 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H]2CCCC[C@H]2C)cc1 12976423 XSHQWODARKFKDN-VGOFRKELSA-N 389.499 4.856 0 40 GJAB CCOC(=O)N1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)N1C(=O)OCC 13410620 DNDWOOYOJNPXEM-BGYRXZFFSA-N 380.444 4.871 0 40 GJAB biogenic C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 13633135 JFCQUWCAVGCAMX-HNNXBMFYSA-N 394.858 4.998 0 40 GJAB COc1ccc(/C(=C\c2nn3c(CC(C)C)nnc3s2)c2ccccc2)cc1 13692812 IGRJHENIZKLWJV-RGEXLXHISA-N 390.512 4.982 0 40 GJAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(C)cc5C)c4ncn3n2)cc1 15842327 GTXFUBFADSOUCQ-UHFFFAOYSA-N 397.482 4.977 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ncoc1-c1ccccc1Cl 19368296 MLCLAFLESDPBCX-UHFFFAOYSA-N 382.832 4.766 0 40 GJAB Cc1cc(NC(=O)CCn2c(C(F)F)cc3cccnc32)n(C2CCCC2)n1 19573277 RMPWCNUCUFSFKL-UHFFFAOYSA-N 387.434 4.623 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2cnc(-c3ccc(C)cc3)nc2)cc1OC 19658409 XOZSRFVHVNYKPZ-NRFANRHFSA-N 389.499 4.806 0 40 GJAB COc1cccc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 19934760 IWTVQLSQZAMGSX-MBSDFSHPSA-N 375.468 4.677 0 40 GJAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1 20609930 SULLBNVVNKCPLB-UHFFFAOYSA-N 386.455 4.768 0 40 GJAB CC(=O)N[C@H](C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCCC1 21843815 ZABNMZUQQSNHPC-FQEVSTJZSA-N 393.512 4.597 0 40 GJAB O=C(NCc1cccs1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 22504600 AAHIYCOGKGHVJH-UHFFFAOYSA-N 397.525 4.724 0 40 GJAB Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1 28527565 WXCMBYPDZGKBFD-UHFFFAOYSA-N 375.476 4.552 0 40 GJAB CC(C)(C)c1ccc(OCCNC(=O)CCCc2nc3ccccc3o2)cc1 32044278 KCULXSFQYJIBTK-UHFFFAOYSA-N 380.488 4.643 0 40 GJAB O=C(Nc1ccccc1Oc1ccccc1)c1cccc(CN2CCCC2=O)c1 32768149 ZYCFWBUVFISHCG-UHFFFAOYSA-N 386.451 4.854 0 40 GJAB CCOc1ccccc1OCCCC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 40160111 VSABIJACBKFISK-HXUWFJFHSA-N 383.488 4.617 0 40 GJAB CC[C@H](CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 43976747 IMSNHFOVIMJNCL-MRXNPFEDSA-N 377.444 4.847 0 40 GJAB Cc1ccc2cc(C(=O)NCc3cccnc3OCc3ccccc3)c(C)nc2c1 48326757 FNFJAKMSYIVXRN-UHFFFAOYSA-N 397.478 4.756 0 40 GJAB CSc1ccc(CN2C(=O)COc3ccc(C(=O)c4cccs4)cc32)cc1 57741971 RYCXYNBAAMXQBS-UHFFFAOYSA-N 395.505 4.627 0 40 GJAB O=C(/C=C/c1ccccc1F)NCc1ccc(Cn2cnc3ccccc32)cc1 58098258 SJDNEHVVJIRZHL-BUHFOSPRSA-N 385.442 4.553 0 40 GJAB O=C(Nc1ccccc1)c1cccc(CS(=O)(=O)Cc2cccc(Cl)c2)c1 58143260 YAQUHJPVPQCEEL-UHFFFAOYSA-N 399.899 4.707 0 40 GJAB C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc4cccnc34)cc2)C[C@@H](C)O1 58439639 VOZXNDXLSVSIMA-HZPDHXFCSA-N 377.444 4.668 0 40 GJAB Cc1cccn2cc(-c3ccc(NC(=O)c4cc(Br)c[nH]4)cc3)nc12 60884713 CDXNSRWAZBJMAG-UHFFFAOYSA-N 395.260 4.653 0 40 GJAB CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1nccs1 67296026 RLIACIPSXUUWQF-ATJXCDBQSA-N 391.452 4.773 0 40 GJAB CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)cc12 84169922 YWBWDVVQVWMCNC-OLZOCXBDSA-N 383.414 4.662 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3ccc4c(c3)CCC(=O)N4C)sc2C)s1 97022145 PNTFKQQXSSMFAW-UHFFFAOYSA-N 397.525 4.650 0 40 GJAB S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@H](C1)N2CCc1ccccc1 100425362 DWWLHYFUJMEAKN-FGZHOGPDSA-N 379.573 4.601 0 40 GJAB C[C@]12CC[C@@H]3c4ccc(OCc5ccc(F)cc5)cc4CC[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O 105365891 GWXDJKCRYNAAKC-KCAOPCNBSA-N 396.502 4.593 0 40 GJAB biogenic O=C(Nc1nnc(C2CCCCC2)s1)[C@@H](c1ccccc1)N1CCCCC1 141591758 UNLCEMSVVSBTAS-GOSISDBHSA-N 384.549 4.752 0 40 GJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccccc1F 223162914 FZXDHWCAYSDQJT-INIZCTEOSA-N 387.520 4.521 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C 223362369 JQPGOJWZQSWPHF-QGZVFWFLSA-N 388.467 4.747 0 40 GJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc2ccccc2c1 223615788 DKJBCGOLOPSFII-GOSISDBHSA-N 385.463 4.956 0 40 GJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 223836831 RLNVYCCRQDVREX-OXQOHEQNSA-N 379.500 4.751 0 40 GJAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1Cl 224163697 HJOLJEPKDSHNTH-MRXNPFEDSA-N 375.896 4.734 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Br)cc2F)cc1 225641867 MJQWFLZIBWIJMJ-GFCCVEGCSA-N 397.313 4.651 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1OC 225679994 FMHHHYJUVVWZHL-UHFFFAOYSA-N 381.472 4.631 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)N[C@@H](C)CC 225694684 JBTHBPKAGOEDIM-SUMWQHHRSA-N 387.351 4.815 0 40 GJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816755 PSZQRTNFQCNAJS-AUSIDOKSSA-N 390.568 4.864 0 40 GJAB CCOC(=O)C1=CNc2c(-c3ccc(Cl)cc3)cnn2[C@@H]1c1ccccc1 409026260 KDIILVWXLHEQOD-LJQANCHMSA-N 379.847 4.665 0 40 GJAB CC(=O)Nc1ccccc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 409176973 CTBNWTAJSAUGRE-UHFFFAOYSA-N 397.525 4.808 0 40 GJAB FC(F)(F)c1cccc([C@H](NC2CCN(c3nccs3)CC2)C2CC2)c1 546688039 DHBDYDWRZKHVPM-QGZVFWFLSA-N 381.467 4.872 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 547135473 ZEODZSHXZVMBTB-LFGUQSLTSA-N 397.519 4.568 0 40 GJAB c1nc(C2CC2)oc1CN1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 628191447 LBJPYWDWNLAJOR-MRXNPFEDSA-N 384.524 4.828 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(F)cc1)N1C(=O)C[C@@H]1c1ccco1 1071240 UHCSFAQTYBBJCO-XMSQKQJNSA-N 392.430 4.689 0 40 GJAB CCN(CC)CCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 2256482 LDOQGSVABVIVJZ-UHFFFAOYSA-N 383.565 4.605 0 40 GJAB COc1cccc(NC(=O)c2ccccc2NC(=O)/C=C/c2cccs2)c1 2660205 VJVVGDXETMMQDR-VAWYXSNFSA-N 378.453 4.661 0 40 GJAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(F)c(F)cc1Cl 3239191 UCDQOLDUUASTIO-UHFFFAOYSA-N 381.806 4.539 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)/C=C/c1cccc(Cl)c1 3247570 PNSAFPSIAFPWSP-MZAXPAKVSA-N 378.896 4.900 0 40 GJAB COCCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3)cs2)c1C 3303508 SSNUOZZUMJOPPI-UHFFFAOYSA-N 386.542 4.850 0 40 GJAB Cc1cc(C(=O)CSc2ncnc3sccc23)c(C)n1Cc1ccco1 3346600 HAJMIOCWOOMLPL-UHFFFAOYSA-N 383.498 4.726 0 40 GJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN=C1SCc1ccccc1F 4120545 XCUQXKJKZRLJNG-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB Cc1cc(C)cc(-n2c(SCc3ccc(F)cc3)nc3c(c2=O)SCC3)c1 4358850 ONSLBAAXDUUFPJ-UHFFFAOYSA-N 398.528 4.929 0 40 GJAB CN(C)CCCN(C(=O)c1ccc(Cl)cc1)c1nc2c(F)cccc2s1 4359752 PXVGNKCXWJIIBB-UHFFFAOYSA-N 391.899 4.687 0 40 GJAB COc1ccccc1CN1CCC(Nc2ccc(Br)cc2)CC1 4749406 GVSNBEPBCLTFPL-UHFFFAOYSA-N 375.310 4.534 0 40 GJAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 4933921 AJCUBZZOBQUOCE-OAQYLSRUSA-N 390.483 4.891 0 40 GJAB O=C(COc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCCC1 5244212 LQOAZFFMXNXIFI-UHFFFAOYSA-N 398.812 4.977 0 40 GJAB CCC(=O)Nc1ccc(N2C(=O)[C@H](C)S[C@H]2c2ccc(SC)cc2)cc1 5791923 BOKWYJCVHYXEFI-RBZFPXEDSA-N 386.542 4.924 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1C 5995627 AJKJKFCDFIIEMZ-UHFFFAOYSA-N 396.874 4.863 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(C)cc1)c1ccccc1 6430535 IQYZATKIRDHFNO-JOCHJYFZSA-N 389.451 4.849 0 40 GJAB O=C(Nc1ccccc1F)c1nc(SCc2ccc(F)cc2)ncc1Cl 6747991 XTTIJERUAMVONI-UHFFFAOYSA-N 391.830 4.953 0 40 GJAB Cc1ccc(C(C)C)c(OCCOc2ccccc2/C=C2/SC(=N)NC2=O)c1 6797436 RFSWXTAURMDKIP-DEDYPNTBSA-N 396.512 4.715 0 40 GJAB Cc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c(C)n1-c1ccnn1C(C)C 7088387 TYFSXCFXUNUANQ-QFIPXVFZSA-N 389.503 4.600 0 40 GJAB C[C@H](NC(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1ccco1 9503840 UHUKMCYHQLNFOC-ZDUSSCGKSA-N 395.509 4.921 0 40 GJAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)c1ccccc1 9884911 GNLPSVCPVBDVOY-HNNXBMFYSA-N 378.497 4.875 0 40 GJAB CCOc1cccc2cc(-c3csc(NC(=O)COc4ccccc4)n3)oc12 10750356 MELJKSXLDFZGAR-UHFFFAOYSA-N 394.452 4.973 0 40 GJAB Cc1ccc([C@@H](C)C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)cc1 12184112 AAJCHQJPUJKUAB-MRXNPFEDSA-N 392.524 4.830 0 40 GJAB COc1ccc(Br)c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 12914454 MWYHCNYTGKBJFN-KRWDZBQOSA-N 394.696 4.992 0 40 GJAB O=C(c1ccccc1)C1CCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 12920689 XOJXLYPYSMZHIR-XMMPIXPASA-N 398.506 4.961 0 40 GJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCc3ccccc3F)cc2)o1 12934312 OJENCHNFOGTLOT-UHFFFAOYSA-N 387.414 4.781 0 40 GJAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(C2SCCS2)cc1 14239799 YIOHWXVUAFIOHB-HXUWFJFHSA-N 398.597 4.732 0 40 GJAB Cn1c(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccccc21 16695597 DAWQKBZBELSJSJ-UHFFFAOYSA-N 399.372 4.782 0 40 GJAB O=C(CCc1nc2ccccc2[nH]1)NCCC(c1ccccc1)c1ccccc1 16970370 WPCZTJZRVCWNEI-UHFFFAOYSA-N 383.495 4.834 0 40 GJAB O=C(c1ccccn1)N1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 19688198 JRSLADRMZCUFQD-LJQANCHMSA-N 391.902 4.741 0 40 GJAB Cc1ccsc1-c1nnc2sc(-c3ccc(F)c(Br)c3)nn12 20729116 BAHTZWGPLOYCLY-UHFFFAOYSA-N 395.282 4.791 0 40 GJAB CCOc1cc(C(=O)Nc2cccc3cccnc23)ccc1OCc1cccnc1 23110816 LWKBBAWTPIGJRA-UHFFFAOYSA-N 399.450 4.860 0 40 GJAB O[C@H](c1ccccc1)C1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 25454444 CWPUPDDJMNSDMX-HSZRJFAPSA-N 396.494 4.642 0 40 GJAB COc1cc(/C=C/c2nc3cc(Cl)ccc3s2)ccc1OCC(=O)O 32639096 CERGVHFTXOWUTO-XVNBXDOJSA-N 375.833 4.592 0 40 GJAB COc1ccc(NC(=O)CCCc2cccs2)cc1OCc1cccnc1 32832217 HTCXUFPIIJEHJK-UHFFFAOYSA-N 382.485 4.692 0 40 GJAB Cc1nc2c3ccccc3nc(SCc3coc(-c4cccs4)n3)n2n1 32871541 JZUNQSYDSMWUEU-UHFFFAOYSA-N 379.470 4.595 0 40 GJAB CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2Cl)N1 35882599 KTQLOLSJZZPXLH-MSOLQXFVSA-N 389.282 4.642 0 40 GJAB biogenic COc1c(Cl)cc(C(=O)Nc2ccccc2NC(=O)NC(C)C)cc1Cl 36391039 WGPFZGBVRKAHSJ-UHFFFAOYSA-N 396.274 4.784 0 40 GJAB Cc1nc(CSCC(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)cs1 46934575 HZVXOLCSGJXQJK-OAHLLOKOSA-N 389.590 4.555 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2c(C)oc3ccc(OC)cc23)C2CC2)c1 48286194 JNZDWKSFKDQVKZ-UHFFFAOYSA-N 395.455 4.572 0 40 GJAB CCOc1ccc(Cl)c(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)n1 55320072 ZDZDSHRHQGBBPB-UHFFFAOYSA-N 396.878 4.586 0 40 GJAB O=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccc(N2CCCC2)cc1 57398751 PRCOHBLUSJIXSL-HSZRJFAPSA-N 391.540 4.666 0 40 GJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(Cl)c3)n2)cc1 57486831 NCTIHYHAVBIILP-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB O=C(CCc1cccc(Cl)c1Cl)Nc1cnc(-c2cccc(O)c2)nc1 58310693 KUYUUHOZNVSDQP-UHFFFAOYSA-N 388.254 4.727 0 40 GJAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c(F)c1 67298187 ZMKSHDQXTVDMQY-NMWGTECJSA-N 395.415 4.527 0 40 GJAB Cc1ccc(NC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c(OCc2ccccc2)c1 69388277 PEVUZZDIPHXTAZ-LEWJYISDSA-N 380.488 4.749 0 40 GJAB CCOC(=O)c1cccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71760840 MMUUGWXWCWOHMR-UHFFFAOYSA-N 384.379 4.571 0 40 GJAB CN(CC1CCCCC1)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 78265865 ZAMCOOQLVRRAQV-UHFFFAOYSA-N 392.952 4.957 0 40 GJAB O=C(Nc1ncc(-c2ccccc2)s1)N1CCC[C@H]1C[C@@H](O)c1ccco1 89851262 OEJSIOALKFMWEN-JKSUJKDBSA-N 383.473 4.523 0 40 GJAB COc1cccc(CN2CCC(c3c[nH]c4ncccc34)CC2)c1OC(F)F 91955322 HYMLIFBKTYIPAH-UHFFFAOYSA-N 387.430 4.553 0 40 GJAB O=C(CNc1ccccc1Cl)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 95389759 AUAZGYJJBPNWFR-UHFFFAOYSA-N 383.854 4.688 0 40 GJAB Cc1nc(N2CCCC[C@H]2c2nc[nH]n2)c2cc(-c3ccccc3)sc2n1 95467657 CKBUVAUKAVSGON-INIZCTEOSA-N 376.489 4.516 0 40 GJAB O=C(Cc1c(F)cccc1Cl)NCc1ccc(C(=O)c2ccsc2)s1 96119912 PLQDWUGFLVMWIU-UHFFFAOYSA-N 393.892 4.692 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)c(Cl)c1 216242056 DTTLNNYOXWILPL-UHFFFAOYSA-N 375.852 4.658 0 40 GJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3cccnc3)N21 222685578 YVECDQRTJJDVTG-ZLGUVYLKSA-N 389.528 4.555 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)COc1ccc2ccccc2c1 223732197 AVKMUEOEWJSWOH-UHFFFAOYSA-N 377.484 4.711 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1Cl 225122422 WHBCKNZFXZEVHW-UHFFFAOYSA-N 386.879 4.617 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)ccc21 225163027 HYNPZIMUDOQVQK-GFCCVEGCSA-N 390.892 4.703 0 40 GJAB Cc1cc(C)nc(Nc2cccc(C(=O)N[C@H](C)c3ccc(Cl)cc3)c2)n1 225915091 PRTHXDHGWKWCLW-OAHLLOKOSA-N 380.879 4.981 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 243391515 MMOHYYPDSMGQGV-JTQLQIEISA-N 383.662 4.638 0 40 GJAB Cc1c[nH]nc1[C@@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 257268114 MKHHDKYEZGWHAB-NRFANRHFSA-N 375.472 4.811 0 40 GJAB Cc1noc(C)c1-c1cccc(C[C@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)n1 257296319 RCFNPXSGKPSHNM-LJQANCHMSA-N 386.499 4.899 0 40 GJAB O=C(Oc1ccc(Br)cc1/C=C/[N+](=O)[O-])c1ccc(Cl)cc1 408532573 IJMGQILQKYUCDR-BQYQJAHWSA-N 382.597 4.569 0 40 GJAB COc1ccccc1[C@H]1CCC[C@@H](C)N1C(=O)C[C@@H](n1cccn1)C(F)(F)F 585114330 UJOFVJNJPUKPHI-QGPMSJSTSA-N 395.425 4.528 0 40 GJAB Cc1c(NCc2cc(C3CC3)no2)cccc1C(=O)N1CCc2sccc2C1 656640404 HKUKAVNQXUXHRT-UHFFFAOYSA-N 393.512 4.733 0 40 GJAB C[C@H](NC(=O)N1CCC[C@@H](CCF)C1)c1cccc(NC(=O)c2ccccc2)c1 663577051 JVMYLGXRFPRTGC-ROUUACIJSA-N 397.494 4.781 0 40 GJAB Cc1ccncc1CC(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 668008127 NJHMELVTGYCPKE-UHFFFAOYSA-N 381.476 4.635 0 40 GJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(Cl)cc1C 949616 KILJJMXGMHNCJO-UHFFFAOYSA-N 398.846 4.904 0 40 GJAB S=C1NC(c2ccc(Br)cc2)=C[C@@H](c2ccccc2Cl)N1 1066734 CLNWVZAPNRSPKR-HNNXBMFYSA-N 379.710 4.662 0 40 GJAB Cc1nc(SCC(=O)N2CCCC[C@H]2C)c2c3c(sc2n1)C[C@@H](C)CC3 1326234 ZPZCQNOOBFSHDI-QWHCGFSZSA-N 389.590 4.618 0 40 GJAB CSc1ccc([C@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1 1411891 PULLKCHXGCWCRF-FQEVSTJZSA-N 378.522 4.752 0 40 GJAB O[C@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 1568069 YZLLVZLRDRSNKO-IINYFYTJSA-N 392.343 4.838 0 40 GJAB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(SC)cc3)NC(=O)CN21 2159995 LZNUWSICCOASJN-OTOIZHKDSA-N 378.541 4.608 0 40 GJAB biogenic Cc1cccc(-c2nc3c(Br)c(N)c(Br)cc3o2)c1 2336068 DVHQIFAMIVBZEJ-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C 3375828 ILGSZXGYHWQRPZ-UHFFFAOYSA-N 395.908 4.533 0 40 GJAB COc1cc(CC(=O)Nc2ccccc2-c2ccccc2)cc(OC)c1OC 3603777 WWOXROIXVOVUJR-UHFFFAOYSA-N 377.440 4.561 0 40 GJAB CCOc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)cc1 4359544 RYMDSPYLBJSUME-UHFFFAOYSA-N 397.544 4.602 0 40 GJAB CC(C)(c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1 4654861 CKNCVRMXCLUOJI-UHFFFAOYSA-N 386.083 4.949 0 40 GJAB in-vitro Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 5485006 CMZYEVWHYLKPPB-UBWSOHEKSA-N 394.474 4.772 0 40 GJAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CCCC[C@@H]12 5931068 ZHLGTXFDXWAOFS-IRLDBZIGSA-N 379.891 4.664 0 40 GJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc(Cl)c(Cl)c1 6178786 BMPPPHNUQQRGSH-UHFFFAOYSA-N 379.272 4.509 0 40 GJAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)c(C)c1 6201391 NHPGTVKLQNPJAK-UHFFFAOYSA-N 380.469 4.759 0 40 GJAB Cc1cc(NC(=S)NC(=O)CC(C)C)cc(-c2nc3ccccc3s2)c1O 6613133 UNBBFAZDRRVHMY-UHFFFAOYSA-N 399.541 4.836 0 40 GJAB C[C@H](Sc1nnc(NC(=O)[C@]2(C)CC2(Cl)Cl)s1)c1ccccc1 6668100 NJTHDZUCENJQGB-XPTSAGLGSA-N 388.345 4.914 0 40 GJAB Cc1cccc(OCCCn2c(CNC(=O)c3ccccc3)nc3ccccc32)c1 6753129 QRAWYDSGQHKWRZ-UHFFFAOYSA-N 399.494 4.744 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CSc1ccc(Cl)cc1 6929907 DEPUKMDRLQBGBI-UHFFFAOYSA-N 384.284 4.576 0 40 GJAB Cc1ccc(-n2c(SC[C@H]3CCCO3)nc3cc(Cl)ccc3c2=O)cc1 7146333 WYGACHSEOOWFKR-MRXNPFEDSA-N 386.904 4.619 0 40 GJAB COC(=O)CCn1c(C)cc(-c2csc(NCc3ccc(F)cc3)n2)c1C 8298779 JQKRYKLHEOKRIY-UHFFFAOYSA-N 387.480 4.543 0 40 GJAB Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 8628555 GSDUVFPTVHSJJI-JOCHJYFZSA-N 376.481 4.535 0 40 GJAB CC(=O)NCCc1ccc(C(=O)CSc2c(Cl)cccc2Cl)cc1 8852888 FAECREFCRRWTJP-UHFFFAOYSA-N 382.312 4.647 0 40 GJAB Cc1ccccc1CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 8882673 YOKPDDFMOBYYMZ-UHFFFAOYSA-N 395.506 4.766 0 40 GJAB Cc1cc(C(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c(C)n1Cc1ccco1 8922712 ZHHVPAZLKPXNCW-CYBMUJFWSA-N 395.430 4.837 0 40 GJAB O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)N2CCc3ccccc32)cs1 9319569 HNKFXKCTKPQFPJ-UHFFFAOYSA-N 398.875 4.643 0 40 GJAB CCOc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4)o3)sc2c1 11806893 WKPBNSCIYKCTFR-UHFFFAOYSA-N 393.468 4.921 0 40 GJAB O=C(NCCCn1c(-c2ccc(F)cc2)cc2cccnc21)[C@@H]1CC=CCC1 12327467 SWQWXLDGKJBYQN-GOSISDBHSA-N 377.463 4.705 0 40 GJAB CC[C@H](C)N1COc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2C1 12442689 NCPYAESLTGIDJW-AWEZNQCLSA-N 381.428 4.544 0 40 GJAB biogenic Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3nc4ccccc4[nH]3)cs2)c(C)c1 12547790 KYWCWBDBGNLKAI-OAHLLOKOSA-N 390.512 4.723 0 40 GJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ncc(Cc2ccccc2)s1 12730271 CCUSHGWZJNEFKI-UHFFFAOYSA-N 397.525 4.705 0 40 GJAB Fc1ccc([C@@H](Nc2ccc3nnc(C(F)(F)F)n3n2)c2cccs2)cc1 12933293 VATBBVCHFTXOMX-OAHLLOKOSA-N 393.369 4.545 0 40 GJAB CCn1ncc2c(C(=O)OCc3nc4ccccc4o3)cc(-c3ccccc3)nc21 14363089 DPUPHZVEOKFPOB-UHFFFAOYSA-N 398.422 4.616 0 40 GJAB COc1ccc(NC2=NC(=O)/C(=C\c3cc(Br)cs3)S2)cc1 16440312 AHPBUYRJAOBJEI-NTUHNPAUSA-N 395.303 4.602 0 40 GJAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C2CCCC2)nc1C 19753462 SRANQVNKYHKPED-HXUWFJFHSA-N 394.519 4.516 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 20107068 IBXUAGZLDFVSAF-UHFFFAOYSA-N 375.465 4.655 0 40 GJAB O=C(Nc1ccccc1Br)c1cccnc1Nc1cccc(F)c1 22072666 SBWARGQYLQWJRD-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 23174930 LHTUEEWUCYCKCM-CYBMUJFWSA-N 399.541 4.581 0 40 GJAB Cc1csc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)n1 23235511 AAEWQNYMWDBBOX-UHFFFAOYSA-N 398.435 4.852 0 40 GJAB CCOc1cc(C(=O)Nc2cccc3cccnc23)ccc1OCc1ccncc1 24752545 CETMWFDWLXJAJM-UHFFFAOYSA-N 399.450 4.860 0 40 GJAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1OCC 31173139 VRNZCCKOTUIQJH-UHFFFAOYSA-N 375.852 4.739 0 40 GJAB Cc1ccc(C)c(OCCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 32525811 PZOAGBDBRGJPNP-UHFFFAOYSA-N 391.515 4.533 0 40 GJAB COc1ccc(Cc2nc(-c3cccc(NC(=O)Cc4ccccc4)c3)no2)cc1 32647482 VDVVFHLKLNDTNE-UHFFFAOYSA-N 399.450 4.517 0 40 GJAB COc1ccc(C(=O)c2sc3nc4c(c(C(F)F)c3c2N)CCCC4)cc1 35326267 XBGVACYTAQMPER-UHFFFAOYSA-N 388.439 4.935 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2c(C)noc2C)cc1 36674815 GHAGFMWVBAFQOC-OAHLLOKOSA-N 378.472 4.924 0 40 GJAB CC[C@H](C)c1ccc([C@@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)C(C)C)cc1 40057994 ZRZTXGNMVKUDDT-NYHFZMIOSA-N 394.515 4.535 0 40 GJAB CC(C)CCC[C@H](C)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 40140200 DYGVCOYRVZBART-SFHVURJKSA-N 387.545 4.605 0 40 GJAB COc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1 40485962 SGQFHTLEQSMMAS-FQEVSTJZSA-N 395.842 4.994 0 40 GJAB COc1ccc([C@@H](NC(=O)c2ccc3nc(C)c(C)nc3c2)c2ccccc2)cc1 48286373 MYGLFFFGCDJAPA-DEOSSOPVSA-N 397.478 4.775 0 40 GJAB C[C@H]1CCc2cc(F)ccc2N1C(=O)C1(c2cc(-c3cccs3)on2)CC1 56918918 GTKBMYSZPCYSLY-ZDUSSCGKSA-N 382.460 4.942 0 40 GJAB CCN(C(C)=O)c1nc(CSc2ncc(C(F)(F)F)cc2Cl)cs1 72205562 XMLHDLPVAPEZRA-UHFFFAOYSA-N 395.859 4.875 0 40 GJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCCN1C=O 72215894 JBDPXDSPOSYNHU-IBGZPJMESA-N 381.476 4.838 0 40 GJAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SCCn2ccnc2)cc1 89840365 FLADASCXLJVGBS-UHFFFAOYSA-N 395.919 4.500 0 40 GJAB COC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1 97035632 MNHYWYDDRWDYBR-CJLVFECKSA-N 381.435 4.648 0 40 GJAB O=C1C[C@@H]2C[C@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104105603 WGDFXKOCGPJSKU-GEMWKBABSA-N 380.913 4.673 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 206656551 OWMJQFWLGLHMIW-CYBMUJFWSA-N 391.302 4.516 0 40 GJAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 222820696 GAGXFCXMBZPBTG-PMACEKPBSA-N 396.947 4.907 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 223269445 KXYCXHJUUSYGFA-JOCHJYFZSA-N 394.559 4.568 0 40 GJAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223481120 JQVPDXPVUOPDFH-REWPJTCUSA-N 394.559 4.650 0 40 GJAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 224374125 JZPBHICKGOSYIG-SFTDATJTSA-N 376.529 4.721 0 40 GJAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1cccc(C)c1 224381696 JSARAQNRZJTXET-UHFFFAOYSA-N 389.495 4.945 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 224605291 FQMQYVSSBLXGLB-QFIPXVFZSA-N 394.515 4.501 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(Br)cc1F 225514364 CTRFPNKKHYKXII-LBPRGKRZSA-N 381.314 4.896 0 40 GJAB CC(=O)c1ccc(NC(=O)c2ccc(OC(=S)N3CCC(C)CC3)cc2)cc1 408721443 IDFUZEMPVDAEQK-UHFFFAOYSA-N 396.512 4.537 0 40 GJAB O=C(O)COc1c(Cl)cc(/C=C2\Sc3ccccc3NC2=O)cc1Cl 409108429 TXMHEFFZGCBEOU-AUWJEWJLSA-N 396.251 4.542 0 40 GJAB Fc1ccc2c(C3CCN(c4ncccc4Br)CC3)noc2c1 581672300 CAWFLFXYOACEEU-UHFFFAOYSA-N 376.229 4.508 0 40 GJAB COc1ccc(Nc2nc(C(=O)N3CCCc4sccc4C3)cs2)cc1 608361156 CWPWSMZOJVYBOK-UHFFFAOYSA-N 385.514 4.545 0 40 GJAB CC(C)(C)c1cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c2ncccc2c1 1543862991 MOVKTZQQPMLDCA-KRWDZBQOSA-N 391.446 4.736 0 40 GJAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c3ccccc13)NCC2 718485 IMIMMKUNAQTPIV-XMMPIXPASA-N 377.484 4.881 0 40 GJAB Cc1cc2c(c(SCc3ccccc3F)n1)C(=O)N(Cc1ccccc1)C2=O 1405584 FAKLHCGNPXXAKS-UHFFFAOYSA-N 392.455 4.618 0 40 GJAB O=C1N(Cl)C(=O)C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1Cl 1602546 MGXFKWORWDCDPR-UHFFFAOYSA-N 390.053 4.809 0 40 GJAB CCCCSc1nnc(-c2cccc(NC(=O)c3ccccc3F)c2)n1C 2206823 POCPCROVDPJIII-UHFFFAOYSA-N 384.480 4.766 0 40 GJAB O=C(NC(Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F)c1ccco1 2274662 GUFHCCKKODHUHT-UHFFFAOYSA-N 386.679 4.596 0 40 GJAB Cc1nc2sc3c(c2c2nc(-c4ccccc4Cl)nn12)CC(C)(C)OC3 2348374 UZQRDYKTDMJKJY-UHFFFAOYSA-N 384.892 4.819 0 40 GJAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccc(OCC)cc1 2721891 OGBRKRVJQVFZDS-UHFFFAOYSA-N 383.473 4.552 0 40 GJAB O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 2998974 HHSLSWKZNSRNPB-UHFFFAOYSA-N 382.062 4.524 0 40 GJAB CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc(Cl)cc1 3395975 DKHLIVTZNZBOLR-UHFFFAOYSA-N 397.891 4.961 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)CCC2CCCCC2)c1 4585508 QMKRHKWBVDUFIW-UHFFFAOYSA-N 389.499 4.993 0 40 GJAB Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 4733705 UMMMQPSDPMZUED-UHFFFAOYSA-N 393.830 4.875 0 40 GJAB Cc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 4857304 BOYKIOIIGFQJFA-AYHJJNSGSA-N 385.602 4.929 0 40 GJAB CC(C)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 4875305 JBLSLYQWQUBLKU-UHFFFAOYSA-N 379.528 4.984 0 40 GJAB CNC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CCCCC2 5055827 FQKJWQURWQMGLC-UHFFFAOYSA-N 392.524 4.711 0 40 GJAB Cc1ccc(-n2c(/C=C/c3ccc4c(c3)OCO4)nc3ccccc3c2=O)c(C)c1 5071892 CEYYEIMMHTWNCT-FMIVXFBMSA-N 396.446 4.902 0 40 GJAB Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)s1 6547897 LIDCAHLQLOVJJU-UHFFFAOYSA-N 378.664 4.812 0 40 GJAB Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccccc3)c(O)c2)cc1 6757431 BFBVWGYYERPNHG-UHFFFAOYSA-N 383.451 4.986 0 40 GJAB biogenic O=C(COC(=O)/C=C/c1cccc(Cl)c1)Nc1ccccc1C(F)(F)F 6787417 XYKUHTFDSJPVSX-CMDGGOBGSA-N 383.753 4.554 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 6788316 CRGVCHSFVDEFRC-UHFFFAOYSA-N 396.903 4.900 0 40 GJAB COc1ccc(NC(=O)COc2cccc3ccccc23)cc1Br 6846867 XPLDMQODFHMYKI-UHFFFAOYSA-N 386.245 4.628 0 40 GJAB Cc1cc(C)n(-c2ccc(COC(=O)c3cnc(Cl)c(Cl)c3)cc2)n1 6849887 URXDVQVLQRJFOU-UHFFFAOYSA-N 376.243 4.548 0 40 GJAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cccs2)C(=O)O)o1 7342168 VRYFYVMCJLCNGT-JYRVWZFOSA-N 394.861 4.678 0 40 GJAB Cc1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)n1Cc1ccccc1 7427833 VDITXBFNMLWNKW-UHFFFAOYSA-N 397.891 4.631 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CN(Cc1ccco1)Cc1cccs1 7580557 KMQDLCZSUTUSKR-UHFFFAOYSA-N 390.892 4.644 0 40 GJAB O=C(CSc1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 10867618 IXFZQPYVTNWERD-OAHLLOKOSA-N 384.526 4.601 0 40 GJAB Cc1nnc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)s1 11374090 ZKPOUMQXQKKAPJ-UHFFFAOYSA-N 380.448 4.705 0 40 GJAB C[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 12273854 ILYIPBDYXZTXCT-QLJPJBMISA-N 377.669 4.992 0 40 GJAB CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3ccc(-n4ccnc4)nc3)cc2C1 12520085 FWOKDESNPOMTBB-HNNXBMFYSA-N 380.517 4.732 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 12603693 MHDVBCLQQRHLOY-QHCPKHFHSA-N 397.478 4.519 0 40 GJAB CCCCc1noc(CSc2nc3ccccc3c(=O)n2C2CCCC2)n1 12735094 FQTZSWCNMDMKBJ-UHFFFAOYSA-N 384.505 4.530 0 40 GJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1cccc(Cl)c1 12747634 JPMPHCWKBUGHKK-UHFFFAOYSA-N 375.255 4.897 0 40 GJAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)s2)cc1 12756429 WPBCYBMDISCWJM-UHFFFAOYSA-N 384.888 4.892 0 40 GJAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 13776592 RBJCQILZWLYGOP-UHFFFAOYSA-N 376.500 4.796 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 14398565 QHEYHDYXYZPLME-AWEZNQCLSA-N 381.900 4.604 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 14796194 WTVWSNPVGWMCOY-GFCCVEGCSA-N 395.286 4.539 0 40 GJAB COc1cccc(-n2c3c(c(SCc4ccccc4Cl)nc2=O)CCC3)c1 15840566 QDWMBZNAAFTHAM-UHFFFAOYSA-N 398.915 4.676 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1OCC 20106925 RYHQIINZEBRWKB-ROUUACIJSA-N 385.504 4.746 0 40 GJAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1C 20196860 ILLPSCQKEJLYKR-UHFFFAOYSA-N 387.892 4.661 0 40 GJAB O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)Nc1cccs1 22767063 GIWCEAPHBJUTHM-SFHVURJKSA-N 383.542 4.731 0 40 GJAB COc1ccc(C(=O)Nc2cc(-c3cnc4ccccc4n3)ccc2C)cc1OC 24522999 PMNUPWDXILSTKE-UHFFFAOYSA-N 399.450 4.875 0 40 GJAB Cc1ccc(S[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1 24650724 RFBJFEORZOQSRD-IBGZPJMESA-N 382.573 4.778 0 40 GJAB CC(C)OCc1c(C(=O)NCCc2cccc3cccnc23)oc2ccccc12 24971916 CQVWQMYQGGMLGL-UHFFFAOYSA-N 388.467 4.879 0 40 GJAB CCCCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 27794433 SCSLDPQGAQEDQH-HSZRJFAPSA-N 380.532 4.741 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 27839004 BKGXRKSVNNYPQC-JKSUJKDBSA-N 396.409 4.721 0 40 GJAB CCOc1cc2c(cc1CSCCC(=O)Nc1ccccc1F)O[C@@H](C)C2 32778814 ZSQWTSHTBMJUJO-AWEZNQCLSA-N 389.492 4.810 0 40 GJAB CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC(F)F 36611395 LHBTZVMZZXLJLI-UHFFFAOYSA-N 392.427 4.531 0 40 GJAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCCO2 36694833 UMQHOVOUPFYHKG-UHFFFAOYSA-N 391.492 4.919 0 40 GJAB C[C@@H](c1cccc(C(F)(F)F)c1)N(CC(=O)NCc1ccccc1F)C1CC1 40155724 GMMNWVLFOFZGPU-AWEZNQCLSA-N 394.412 4.686 0 40 GJAB C[C@@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2Cl)n(C)c1=S 57455888 MGFYUUMYAXDYBU-GFCCVEGCSA-N 390.965 4.910 0 40 GJAB O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N(Cc1cccnc1)C1CC1 57825066 SYJFAAOJILVCPS-FPYGCLRLSA-N 380.797 4.958 0 40 GJAB Cc1nccn1-c1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1F 58357487 RFRXKSXPTMQLHU-UHFFFAOYSA-N 384.764 4.999 0 40 GJAB Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1 72353198 YIDIBYUEDGTZRQ-JOCHJYFZSA-N 390.535 4.952 0 40 GJAB O=C(Nc1cccc(CNCc2cc(-c3ccccc3)cs2)c1)NC1CC1 95959253 VQKBUNYAFHMNIU-UHFFFAOYSA-N 377.513 4.989 0 40 GJAB CCc1oc2ccccc2c1CN1C[C@H]2CCC[C@H](C1)C2(O)c1cccnc1 100148666 LPPVBSRKOXCTQO-RTBURBONSA-N 376.500 4.510 0 40 GJAB COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@H](c3ccccc3)CC(O)=C21 102836403 QDHZAFKNLXOYNA-XOBRGWDASA-N 388.427 4.707 0 40 GJAB C[C@]12CC[C@@H]3c4ccc(OCc5ccc(F)cc5)cc4CC[C@H]3[C@H]1C[C@@H](O)[C@@H]2O 105365888 GWXDJKCRYNAAKC-IJEZIDCYSA-N 396.502 4.593 0 40 GJAB biogenic O=C(c1ccc2nsnc2c1)N1CCS[C@@H](c2ccccc2Cl)CC1 206994826 CZMGCJFKVJVASZ-QGZVFWFLSA-N 389.933 4.665 0 40 GJAB Cc1c(C(=O)N2CCS[C@H](c3cccs3)CC2)cnn1-c1ccccc1 219469167 LTPXKKBVPCGMKP-IBGZPJMESA-N 383.542 4.563 0 40 GJAB CC(C)c1ccccc1OCC(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 222814986 QEKGWYSUOOKAMH-UHFFFAOYSA-N 399.878 4.551 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 222904830 NYHFUJFNXMMCMV-LSDHHAIUSA-N 396.379 4.534 0 40 GJAB O=S(=O)(NCCOc1cccc2ccccc12)c1cc(Cl)ccc1Cl 223530389 DVVNTKPZUSAAKF-UHFFFAOYSA-N 396.295 4.504 0 40 GJAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)cc1C 223722100 PNZZTLHNBIUPMU-UHFFFAOYSA-N 397.496 4.617 0 40 GJAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C(=O)OC 225681252 OPULBSFDMJBGOG-UHFFFAOYSA-N 399.462 4.852 0 40 GJAB CCO[C@]1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCC[C@@H](C)C1 225715714 JACAQXOYTCEJSS-AUSIDOKSSA-N 390.568 4.721 0 40 GJAB Cc1cc(C)c2c(=O)ccn(CC(=O)NC(c3ccccc3)c3ccccc3)c2c1 225757941 PVWCROMVBXSALI-UHFFFAOYSA-N 396.490 4.524 0 40 GJAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(Br)cc2)cc1N 226266556 PRUSFNVPMXDLPC-CYBMUJFWSA-N 388.309 4.662 0 40 GJAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 243535722 OFYMCNIKYGHXTE-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@@H]4C[C@H]4C)C3)noc2n1 253608355 ZRGAOEZCXMXCAC-JHJVBQTASA-N 395.425 4.727 0 40 GJAB COc1ccc(-c2cc(C(=O)N(C(C)C)C3CC3)nn2-c2ccccc2)cc1 505282607 BTPAZGORWBOESW-UHFFFAOYSA-N 375.472 4.561 0 40 GJAB O=C(C[C@]12CCCC[C@@H]1C2(F)F)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 665863173 YCAUUUPXTNUCKH-KSEOMHKRSA-N 395.453 4.984 0 40 GJAB Cc1ccc(SCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 1099468 MLNLTPYEEWMPGE-UHFFFAOYSA-N 382.529 4.788 0 40 GJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(N(C)C)cc1 1340041 YWMRCHPCADVGNB-UHFFFAOYSA-N 379.529 4.902 0 40 GJAB O=S(=O)(NCCOc1ccccc1Cl)c1ccc(C2CCCCC2)cc1 2170539 HQDMYOHSQZHFNR-UHFFFAOYSA-N 393.936 4.745 0 40 GJAB CCCCCCOc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)cc1 2318384 ZKPWNICJMONBTQ-LJQANCHMSA-N 382.504 4.744 0 40 GJAB Cc1ccc(OCc2n[nH]c(SCC(=O)c3cc(C)c(C)cc3C)n2)cc1 2658142 ABJNXIHOYCKODK-UHFFFAOYSA-N 381.501 4.592 0 40 GJAB Cc1csc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1 3247737 TXEVQQPWTGVTDE-QGZVFWFLSA-N 399.903 4.605 0 40 GJAB CSc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 4033610 PULFTENRZRLRLP-INIZCTEOSA-N 379.529 4.935 0 40 GJAB COc1cccc(Nc2nnc(SCC(=O)c3c[nH]c4ccccc34)s2)c1 4541274 MAHNNRHYRDEWGT-UHFFFAOYSA-N 396.497 4.747 0 40 GJAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 4550076 TUUZLNUFTDZOJH-LBPRGKRZSA-N 398.484 4.541 0 40 GJAB Cc1ccnc(NC(=O)CC[C@H](CC(=O)Nc2cc(C)ccn2)C(C)(C)C)c1 4710771 JUTUKXIEVKZCKI-QGZVFWFLSA-N 382.508 4.503 0 40 GJAB CCCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccco1 4861128 XTZACQWQYPYUCA-UHFFFAOYSA-N 384.505 4.686 0 40 GJAB COc1cccc(OC)c1-c1nn2c(-c3ccc(C(C)(C)C)cc3)nnc2s1 5100420 GPJJZMQKRUJFQP-UHFFFAOYSA-N 394.500 4.835 0 40 GJAB CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc(C(C)=O)c1C 5375232 CHMOPJBDEIZVSD-UHFFFAOYSA-N 380.853 4.733 0 40 GJAB Cc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1c(F)cccc1Cl)CCS3 5451105 QIXKFAJYCNAOMT-UHFFFAOYSA-N 399.878 4.606 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1 6328865 GSKIIUSQDGKRBR-UHFFFAOYSA-N 388.370 4.724 0 40 GJAB Fc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccccc2)c(F)c1 6402957 CZXLDRIHLJSNRU-INIZCTEOSA-N 387.455 4.874 0 40 GJAB O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccccc1Cl 6728031 ZYTROKDRRJCMDQ-UHFFFAOYSA-N 376.799 4.761 0 40 GJAB Cc1ccc(NC(=O)CSCc2nc(-c3ccsc3)no2)cc1Cl 6850502 NIZWCACSWNPPBZ-UHFFFAOYSA-N 379.894 4.632 0 40 GJAB COc1ccc(CNCc2cccc(OC)c2OCc2ccccc2F)cc1 7538355 CPGYIRYSKOIWFY-UHFFFAOYSA-N 381.447 4.712 0 40 GJAB COc1ccc(-c2cc(NC(=O)c3ccc(-n4cccn4)cc3)ccc2OC)cc1 7639550 WSQNVONPYRTXBN-UHFFFAOYSA-N 399.450 4.809 0 40 GJAB CCC(=O)c1ccc(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc1 7800439 QQIQYOBZZVXEBW-UHFFFAOYSA-N 387.479 4.906 0 40 GJAB Cc1cc2ccccc2n1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 7963827 VRCKOOMXJKNWTQ-UHFFFAOYSA-N 389.524 4.966 0 40 GJAB COc1ccccc1O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 8480700 JFFUWVNWKRPIDA-IBGZPJMESA-N 375.468 4.692 0 40 GJAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21 8959443 YVVJLYRIKMJFSW-UHFFFAOYSA-N 396.531 4.613 0 40 GJAB COc1ccc([C@H]2CC(=O)c3c(C)nn(-c4ccc(Cl)cc4)c3C2)c(OC)c1 10338880 ZUVZGCDGMFPTRQ-CQSZACIVSA-N 396.874 4.764 0 40 GJAB COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(C)c(C)c2)cc1 11916261 ABHKIKUKMRUXHI-UHFFFAOYSA-N 381.497 4.986 0 40 GJAB CCc1cccc2c(CC(=O)Nc3ccc4c(c3)C[C@H](C)N4C(C)=O)c(C)[nH]c12 12204612 GLORVLUCMJKFSU-AWEZNQCLSA-N 389.499 4.517 0 40 GJAB CC(C)CC[C@]1(C)NC(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)C1=O 12681944 DAVSWXGYXLKADL-IBGZPJMESA-N 391.924 4.710 0 40 GJAB Cc1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1Cl 13896812 KFILVBICAMWKST-MOSHPQCFSA-N 391.858 4.532 0 40 GJAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2ccccc2F)cc1 13926212 KBLJGKUKQGVUSI-MTJSOVHGSA-N 391.373 4.888 0 40 GJAB Cc1ccc(CN(C)C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)o1 14244710 TWFOEJVFCUIVJW-UHFFFAOYSA-N 379.485 4.628 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)/C(Cl)=C1\Sc2ccccc2NC1=O 16952794 RDJKSXKXEGGHFC-CCEZHUSRSA-N 379.268 4.782 0 40 GJAB CN(CCCNC(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl 19074950 ZYAUNTKYNXCJEI-UHFFFAOYSA-N 395.290 4.669 0 40 GJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 20047674 YFOHXHADQFMYLW-YADHBBJMSA-N 385.504 4.765 0 40 GJAB c1ccc(C(c2ccccc2)N2CCN(c3cnc4ccccc4n3)CC2)cc1 20218493 IQSBTTYZBLENGV-UHFFFAOYSA-N 380.495 4.541 0 40 GJAB O=C(c1cccc(Nc2ncccn2)c1)N(Cc1ccco1)Cc1cccs1 24463015 USVRTUBPUGEKNX-UHFFFAOYSA-N 390.468 4.717 0 40 GJAB NC(=O)[C@H](Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1ccccc1 28370399 GUOXSMJTMKPAGC-HXUWFJFHSA-N 384.838 4.697 0 40 GJAB COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@@H]2c2ccccc2)cc1 28405692 UGRKTRHCRFXAEJ-NRFANRHFSA-N 388.492 4.570 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCCC[C@H]1CC 30865378 HIKUCQBJKAFRKW-FYYLOGMGSA-N 382.548 4.768 0 40 GJAB Fc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1 32604325 MACGTAVINFBLBS-SFHVURJKSA-N 387.455 4.695 0 40 GJAB Cc1ccc(CSCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 39758161 QXNMOQLIXXMORD-UHFFFAOYSA-N 396.600 4.565 0 40 GJAB CC[C@@H](CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 43976742 IMSNHFOVIMJNCL-INIZCTEOSA-N 377.444 4.847 0 40 GJAB COc1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1OC(F)F 43994755 PXSOUHBPHSIXMV-MRXNPFEDSA-N 376.403 4.536 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)c1C 44885521 AILVOUDYICJWMD-KRWDZBQOSA-N 375.852 4.621 0 40 GJAB CC(C)C[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccccc1 44900765 CAELPZKISFNYBO-SFHVURJKSA-N 396.350 4.656 0 40 GJAB C[C@H](NC(=O)c1ccc2ncsc2c1)c1cccc(OCc2ccccn2)c1 55645624 POVUJJOJGPVRHS-HNNXBMFYSA-N 389.480 4.761 0 40 GJAB Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@@H](C)Sc4ccccc4)C3)[nH]c2c1 58196820 WBUQSMIOXQUHEK-IAGOWNOFSA-N 379.529 4.758 0 40 GJAB O=C(c1cncc(Br)c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 78797183 WFXCMGMOMWSPFI-GOSISDBHSA-N 384.277 4.693 0 40 GJAB CC(C)n1cc(CCCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21 79193274 GNZVPDSPCKPLRR-NZQKXSOJSA-N 395.591 4.926 0 40 GJAB biogenic Cc1cc(C)n(Cc2ccc(C(=O)N(C)[C@@H](C)c3cc(F)ccc3F)cc2)n1 84104783 VQLXSDWKDJNEMG-INIZCTEOSA-N 383.442 4.660 0 40 GJAB O=C(c1cnn(-c2ccccc2F)c1)N1CCC[C@@H]1Cc1ccccc1Cl 84502437 JZNFMVUBAJBHIF-QGZVFWFLSA-N 383.854 4.512 0 40 GJAB O=S(=O)(c1cnc(Cl)c(Cl)c1)N(Cc1ccccc1)c1ccccc1 84535751 UTFAYWDQNOFNQI-UHFFFAOYSA-N 393.295 4.784 0 40 GJAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 85342952 XXCIJWGARJZGJX-UHFFFAOYSA-N 398.871 4.627 0 40 GJAB COc1ccc2[nH]cc(C3=CCN([C@@H](C)c4nnc(CC(C)C)o4)CC3)c2c1 95957533 PVEDVDJVBOHKCY-HNNXBMFYSA-N 380.492 4.608 0 40 GJAB Fc1ccc([C@@H](Cn2cnc3ccccc32)NCc2cccc(Cl)n2)cc1 96012810 OWVFECPJRQUIAB-LJQANCHMSA-N 380.854 4.755 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(OC)c3)N21 222656083 PTOQCHSLXDYLBA-TYCQWZJGSA-N 397.544 4.857 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1 222881951 BSUXWBIDCQAZTI-IIBYNOLFSA-N 382.504 4.573 0 40 GJAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 222929981 FJRFMOAGZMNIDB-FCHUYYIVSA-N 390.556 4.809 0 40 GJAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224439548 DYNURZRFJRRQDZ-PMACEKPBSA-N 380.492 4.780 0 40 GJAB CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224944605 AKBCUTHDCXGGQD-UHFFFAOYSA-N 388.316 4.996 0 40 GJAB Cc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1C 225783131 KPGBOOBDJPQNAH-UHFFFAOYSA-N 388.290 4.837 0 40 GJAB COc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cn1 225875148 HUDKQPRNFWVAQK-UHFFFAOYSA-N 389.952 4.976 0 40 GJAB CC(=O)N[C@@]1(C)C[C@H](c2cccc(-n3nc(C)cc3C)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257227522 FPTKDQPXCMEJMS-XWZHTASNSA-N 395.547 4.650 0 40 GJAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3cccc(Cl)c3)sc2c1 408626871 JAULQOYCBILBJB-UHFFFAOYSA-N 375.906 4.693 0 40 GJAB Cc1c(Cl)cccc1N1C[C@H](C(=O)NC2CCC(C(C)(C)C)CC2)CC1=O 408707130 HBEIFAJLIOOSGD-KLAILNCOSA-N 390.955 4.722 0 40 GJAB O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)Nc1ccccc1 409007808 RYAQNWXFHZXUIB-UHFFFAOYSA-N 391.452 4.533 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2cccc(C)c2C)cc1 409118497 NRMKBWRZFUEEER-UHFFFAOYSA-N 381.497 4.992 0 40 GJAB Cn1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc21 409131028 XSIYZJOFZAVCQS-XSFVSMFZSA-N 376.481 4.847 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@H](O)c1ccc(-c2ccco2)s1 1889205706 SWVPTVIADZHFAF-SFHVURJKSA-N 377.465 4.554 0 40 GJAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc(C)c(C)c2c1=O 642459 ORVUTVCIUPRJDE-UHFFFAOYSA-N 392.933 4.723 0 40 GJAB O=C(NC1CCCC1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 728188 JBPUNOQMZAEFGP-UHFFFAOYSA-N 382.467 4.736 0 40 GJAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 1084422 UTIQVIRIDBXBMH-UHFFFAOYSA-N 387.439 4.833 0 40 GJAB COc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3C(C)=O)c(Cl)nc2c1 1239326 ZIVCLQILTQZZNS-FQEVSTJZSA-N 379.847 4.594 0 40 GJAB CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 2256716 HWZJAFDYVKMITA-UHFFFAOYSA-N 378.497 4.641 0 40 GJAB CCN(CC)CCCNc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCC3 2430926 QOXHJGPYXGNIMP-UHFFFAOYSA-N 395.551 4.602 0 40 GJAB Cc1cc(C)c2c(c1)SC1=N[C@](c3ccccc3)(C(F)(F)F)NC(=O)N12 3218943 WGYWDFXVNJYPQR-QGZVFWFLSA-N 377.391 4.710 0 40 GJAB O=c1[nH]c(SCc2nc3ccccc3s2)nc2sc3c(c12)CCCC3 3245410 RXIQZEJRBRZQPH-UHFFFAOYSA-N 385.539 4.765 0 40 GJAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(Cl)c3)n2)cc1 3347278 IYZMWHWVGKKSRV-UHFFFAOYSA-N 386.860 4.567 0 40 GJAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(F)cc1F 3380293 FTUAYUKTACETAI-UHFFFAOYSA-N 383.350 4.553 0 40 GJAB CCc1cc2c(SCC(=O)Nc3ccc(OC)c(Cl)c3)ncnc2s1 3386152 HKRSFXYYJMMGAI-UHFFFAOYSA-N 393.921 4.647 0 40 GJAB COc1ccccc1C(=O)Oc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 4340741 HTPNGRGEKHWGQU-UHFFFAOYSA-N 386.403 4.996 0 40 GJAB biogenic COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccccc1 4550588 HVLZZVHGNJCJOD-KGENOOAVSA-N 399.446 4.927 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 4593170 XWVARADXLLMZLV-ATNYCFDYSA-N 381.884 4.803 0 40 GJAB O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC(Cc2ccccc2)CC1 4745246 QCVNOWBSLHBOBJ-QHCPKHFHSA-N 394.534 4.519 0 40 GJAB Cc1nc(NC(=O)CSc2nc3ccccc3[nH]2)sc1-c1ccccc1 4864130 XNUMHBYBZUUNGP-UHFFFAOYSA-N 380.498 4.726 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CCCC2 5198669 BMCDATFUKZCTHG-UHFFFAOYSA-N 387.501 4.843 0 40 GJAB CC1(C)[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@]1(C)C(=O)O 5482329 XOJYXJUCLVCFID-XXBNENTESA-N 381.472 4.731 0 40 GJAB CCCCN1C(=O)c2ccc(C(=O)Nc3c(C)cc(C)cc3Cl)cc2C1=O 6203715 QFNNUTLWNKICNU-UHFFFAOYSA-N 384.863 4.605 0 40 GJAB CC(=O)Oc1cccc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)c1 6313257 YCXWBUHTKPJACD-XNTDXEJSSA-N 397.839 4.825 0 40 GJAB COc1ccc([C@H]2NC(=S)NC3=C2CCCC3=C2SCCCS2)cc1 6457788 NBILIPQRUUCYCE-MRXNPFEDSA-N 390.599 4.734 0 40 GJAB CCOc1ccc(CC(=O)Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1 7614665 QFTVNOJCGMTZJW-UHFFFAOYSA-N 382.485 4.707 0 40 GJAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 7928332 ACDZPZCFXDQVSQ-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cc1cc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)no1 7987593 FXANMOZYASHESD-UHFFFAOYSA-N 389.480 4.996 0 40 GJAB CSc1ccc(C(=O)NCCCCCc2nc(-c3cccs3)no2)cc1 8013677 CGNMINQAUCMILS-UHFFFAOYSA-N 387.530 4.663 0 40 GJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCc2ccccc2C1 8118334 HXYZKNYIIBCADL-LBPRGKRZSA-N 382.813 4.744 0 40 GJAB O=C(NC1CC1)[C@@H](Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1 8725242 GLGMPAVJAQJMPY-QFIPXVFZSA-N 382.467 4.662 0 40 GJAB Cc1ccccc1OCC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 9377146 GFEGECDOLAJJSO-UHFFFAOYSA-N 390.270 4.564 0 40 GJAB c1ccc(CNc2nc(N3CCCCCC3)nc3c2cnn3-c2ccccc2)cc1 9623093 JJNKEYDEZPJDLF-UHFFFAOYSA-N 398.514 4.808 0 40 GJAB COc1cc2c(cc1NC(=O)c1ccc([S@@](C)=O)cc1)oc1ccccc12 9677311 XTPBIHKKKSMBIZ-MHZLTWQESA-N 379.437 4.584 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(O)cc1 9868812 AZYRGKZXXGNSEY-UHFFFAOYSA-N 399.475 4.886 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc3ncccc23)cc1 9910436 BAKYKLQLWZZFJF-UHFFFAOYSA-N 387.439 4.600 0 40 GJAB Cc1ccc(S(=O)(=O)N(Cc2cccc3cccnc23)c2ccccc2)cc1 11233968 HUSKCHITDJBYLB-UHFFFAOYSA-N 388.492 4.939 0 40 GJAB CN(C(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1)C1CCCCC1 12137062 RTZMXLLFMILNLK-UHFFFAOYSA-N 384.907 4.926 0 40 GJAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3ccncc3)no2)cc1 12185480 KMPULPGLGUDCNJ-FQEVSTJZSA-N 377.444 4.503 0 40 GJAB COc1ccc(OCCCN2CCc3cc(-c4csc(C)n4)ccc32)cc1 12533935 KSIUNBOXZRVAOP-UHFFFAOYSA-N 380.513 4.959 0 40 GJAB COc1ccc([C@@H]2CCCN2Cn2nc(C)n(-c3ccc(C)cc3)c2=S)cc1 12637557 SHUKZKXWCQEYGW-NRFANRHFSA-N 394.544 4.823 0 40 GJAB Cc1cc(F)ccc1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 12766166 CWOAZPRKTFRDRE-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB CC(=O)N[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 13018768 GYXSNTUBUAKWKU-INIZCTEOSA-N 384.785 4.565 0 40 GJAB C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)cc1 13049385 GSFQVWHJQJKHJT-CQSZACIVSA-N 397.862 4.746 0 40 GJAB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1cccc2ccccc12 16769600 SSVILEVOPLUPFO-UHFFFAOYSA-N 391.452 4.576 0 40 GJAB COc1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)ccc1OC(C)C 19450768 XACCGWRZEZBWIL-IBGZPJMESA-N 379.504 4.738 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(OC)cc1 20494772 VXQZUJXNQADHLC-IBGZPJMESA-N 377.937 4.968 0 40 GJAB CN(C)C[C@H](N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 22789449 ZIVTYNYWZTVDRW-LOSJGSFVSA-N 397.522 4.984 0 40 GJAB O=c1c2sccc2nc(SCCOc2ccc(F)cc2)n1-c1ccccc1 26091245 WAHGOGBOMGEPQG-UHFFFAOYSA-N 398.484 4.757 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccc(Cl)c1)c1ccccn1 27581965 CVEQWLGPNSWPIH-UHFFFAOYSA-N 390.826 4.688 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(Cc1cccnc1)C1CC1 28517227 BORSVMNPEHNAGT-UHFFFAOYSA-N 383.904 4.972 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1Cl 30857763 IKUQATPDQJIZAH-NSHDSACASA-N 382.243 4.576 0 40 GJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc2c(c1)CCC2 31685266 QVUAYROPAFYRSB-UHFFFAOYSA-N 375.453 4.682 0 40 GJAB COc1cc2cc3c(N)c(C(=O)Nc4ccccc4C)sc3nc2cc1OC 35288878 AJBMMMILWZROSC-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB O=C(Nc1ccc(F)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 35314496 CJUYMMXAYHMQAG-WFASDCNBSA-N 394.328 4.528 0 40 GJAB O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2noc(C3CC3)n2)c1 35539747 MBWMYTOTIASDQA-UHFFFAOYSA-N 398.260 4.558 0 40 GJAB O=c1[nH]c(CN2CC[C@@H]3CCCC[C@H]3C2)nc2scc(-c3ccc(F)cc3)c12 36447033 RKHJKQOCOWWYKD-HOCLYGCPSA-N 397.519 4.803 0 40 GJAB C[C@@H](CCc1ccco1)NC(=O)CCn1ccc2c(Br)cccc21 40288528 LNKODAGWGMPRPO-AWEZNQCLSA-N 389.293 4.524 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)c1 48356668 YZTWZQJINIQSJM-UHFFFAOYSA-N 392.864 4.943 0 40 GJAB CCOc1cc([C@H]2SCC(O)=Nc3c2cnn3C)ccc1OC1CCCC1 49550255 TYUMTSLJECOIJE-LJQANCHMSA-N 387.505 4.564 0 40 GJAB Cc1cc(NC(=O)[C@H](Sc2ccc3c(c2)OCCCO3)c2ccccc2)no1 53224082 GGSPLERQNQNZMY-HXUWFJFHSA-N 396.468 4.616 0 40 GJAB CCc1oc2ccccc2c1/C=C/C(=O)N[C@H](C)c1ccc([S@](C)=O)cc1 89280213 GLCVKXPRZOCQAN-JNGRNJAYSA-N 381.497 4.623 0 40 GJAB c1ccc2nc(-c3nn4c(C56CC7CC(CC(C7)C5)C6)nnc4s3)ccc2c1 95471829 WKJVCDFAIKFJLL-UHFFFAOYSA-N 387.512 4.869 0 40 GJAB C[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(OC(C)(C)C)cc1 97143463 LUBZERGYXDEYDJ-HTAPYJJXSA-N 396.531 4.832 0 40 GJAB Cc1ncsc1C(=O)OC[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 107149353 IOQIRLHHICHWAN-HOCLYGCPSA-N 398.450 4.710 0 40 GJAB CCCc1nc(S/C(=C\c2ccc(OC(C)C)c3ccccc23)C(=O)O)n[nH]1 213382913 ZIHWIIRQRYBBGN-PDGQHHTCSA-N 397.500 4.915 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1C 222974658 BOCJFYZKRGPYIM-FGZHOGPDSA-N 390.556 4.953 0 40 GJAB Cc1ccc(CNC(=S)Nc2nc(C)c(Cl)cc2Br)cc1 223941916 AVBARJDPKMZWEB-UHFFFAOYSA-N 384.730 4.601 0 40 GJAB COc1ccc(OCc2cc(C(=O)Nc3cccc(F)c3)ccc2OC)cc1 224264564 MXJVBIRFBDDICV-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108023 CUYUQHJRGZUVLF-HNNXBMFYSA-N 390.892 4.532 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1C(C)C 225191491 CBRRPISQSJNIKA-UHFFFAOYSA-N 377.506 4.715 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccccc2C)cc1Cl 225754462 HAKRRTFEEWOUQC-ZDUSSCGKSA-N 376.909 4.873 0 40 GJAB O=C(Nc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1)c1cc2ccccc2o1 408623444 UIVIFYFREZZMAG-UHFFFAOYSA-N 397.645 4.994 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1OCC 408680498 MSBXUWNAOOKVBH-UHFFFAOYSA-N 397.496 4.952 0 40 GJAB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccc4ccccc4c3)cc2)o1 409182454 LCQHEOUHVNRECW-UHFFFAOYSA-N 399.402 4.708 0 40 GJAB O=C(Nc1cccc(Cl)c1OCC(F)F)[C@@H]1C[C@]12CCOc1ccccc12 673316374 YMBDVKWQWSGZOS-RBZFPXEDSA-N 393.817 4.663 0 40 GJAB C[C@@](O)(C1CCN(c2cc(-c3ccccc3)cc(Cl)n2)CC1)C(F)(F)F 1154946966 QSBSRCACRCYDJV-GOSISDBHSA-N 384.829 4.932 0 40 GJAB Cn1ccc(C2CCN(C(=O)c3ccc(Oc4cccc(Cl)c4)cc3)CC2)n1 1155837957 NQFLTAMGKUGGCU-UHFFFAOYSA-N 395.890 4.886 0 40 GJAB O=C(Cc1c(F)cccc1Cl)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775977242 HHWXWFCZUIVRHH-SFHVURJKSA-N 389.879 4.600 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4o3)cc2)cc1 696131 IMDWCHOEUOARGO-UHFFFAOYSA-N 392.480 4.722 0 40 GJAB O=C(Nc1nnc(CSCc2ccccc2)s1)c1ccc(Cl)cc1 1023064 FOKATOWKYZXKEI-UHFFFAOYSA-N 375.906 4.877 0 40 GJAB CCCc1ccc(Cl)cc1OS(=O)(=O)c1ccc(Br)cc1 1615707 RFIKFNPAGSQUBU-UHFFFAOYSA-N 389.698 4.823 0 40 GJAB CCCCc1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1 1935128 SNNPJTUAPNDHBD-UHFFFAOYSA-N 390.277 4.587 0 40 GJAB Cc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cnccn2)cc1 2363053 LZOSLMHROFXNHM-VMPITWQZSA-N 385.496 4.838 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1 2450720 UMWUYFIXYUWXKC-UHFFFAOYSA-N 380.517 4.645 0 40 GJAB CCOc1ccc2nc(NC(=O)/C=C/c3ccc(Br)o3)sc2c1 2659963 XFDRTMQQXCZMTI-VMPITWQZSA-N 393.262 4.702 0 40 GJAB Cc1ccc(CSc2nc3c(c(=O)n2-c2ccc(C)cc2)SCC3)cc1 2719783 LNGFFMOLVTWFHY-UHFFFAOYSA-N 380.538 4.790 0 40 GJAB N=c1sc(C(=O)c2cccs2)nn1-c1c(Cl)cc(Cl)cc1Cl 3849179 HZHVVMMYWZEQOG-UHFFFAOYSA-N 390.704 4.666 0 40 GJAB biogenic CCCCCCOc1ccc(OC(=O)c2cccc(C(=O)OC(C)C)n2)cc1 4031885 GUKZDEGLUGLWPH-UHFFFAOYSA-N 385.460 4.825 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)CSCc2ccccc2)CSC3)cc1 4087621 OEJZVWXFQHRUAJ-UHFFFAOYSA-N 395.553 4.799 0 40 GJAB Cc1ccc2nc(NC(=O)CSc3ccc(-c4cccs4)nn3)sc2c1 4357875 PXRXBUUVMPOAJU-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB CCOC(=O)/C=C/C(=O)n1nc(-c2ccccc2)c2c1[C@H](C(C)C)CC[C@@H]2C 4671458 GNUMJKTYKPYMCK-GJAMECAOSA-N 380.488 4.947 0 40 GJAB C[C@@H]1CCCC[C@H]1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 5053570 COGHPZMQUJHMAS-RHEJXQKWSA-N 375.944 4.813 0 40 GJAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4C[C@H]3C)o2)cc1 5210490 NIJOYOALQCJHRV-HUUCEWRRSA-N 379.485 4.503 0 40 GJAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1csc(-c2ccccc2)n1 5326583 OIYJXQYOUMBIIO-UHFFFAOYSA-N 386.498 4.804 0 40 GJAB CCOc1ccc(Nc2nc(-c3ccc(OC)cc3)c(CC(=O)O)s2)cc1 5610604 VIFBVRFKSFLEDX-UHFFFAOYSA-N 384.457 4.588 0 40 GJAB COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OC(C)C 5703046 BTKUCMWMHGOVDX-JYRVWZFOSA-N 377.849 4.542 0 40 GJAB Cc1cccc2cc(CN(C(=O)c3ccc(F)cc3)c3ccccc3)c(=O)[nH]c12 5885729 NURKUBXTJDBJIA-UHFFFAOYSA-N 386.426 4.823 0 40 GJAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 5981140 QMICBVDQVQTDHM-UHFFFAOYSA-N 382.725 4.766 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2C)c(Cl)c1 6203735 LRJHDMFMRTYDMU-UHFFFAOYSA-N 397.891 4.684 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2nc3c(cc4c5c(cccc53)CC4)s2)c1 6441149 OMWBRQPVKSOMEL-UHFFFAOYSA-N 390.464 4.818 0 40 GJAB Cc1cccc(-n2nc3c(c2NC(=O)CCc2ccccc2)CSC3)c1C 6479143 OYSLQFDLWIPTOX-UHFFFAOYSA-N 377.513 4.807 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C12CC3CC(CC(C3)C1)C2 6528377 KBWPRWRBASZIFZ-UHFFFAOYSA-N 395.330 4.607 0 40 GJAB O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 6647667 ZDLGIBMZXDAIIO-QHCPKHFHSA-N 383.447 4.882 0 40 GJAB Cc1cc(C)c(C)c(Cn2c(CCNC(=O)C(C)C)nc3ccccc32)c1C 6752628 SKQKLXTYJOINIH-UHFFFAOYSA-N 377.532 4.633 0 40 GJAB CCCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(OC)cc3s2)n1 6810538 BJVABWXDFXAEIU-UHFFFAOYSA-N 394.909 4.503 0 40 GJAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccccc1Br 7402863 GUFOXZJWLFMORO-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB CC(=O)c1ccc(C(=O)Oc2ccc3nc(N4CCCCC4)sc3c2)cc1 7512715 GJLPAKFJSQOOMH-UHFFFAOYSA-N 380.469 4.708 0 40 GJAB COc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)cc1F 7843859 LTNHLFJKSBRUPU-UHFFFAOYSA-N 375.494 4.705 0 40 GJAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@H]1c1nc2ccccc2s1 7987086 PUHAWILCOVDFAH-IBGZPJMESA-N 396.537 4.750 0 40 GJAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)OCCO3)cc1 8164876 GMDOQTXLFZVGNI-QHCPKHFHSA-N 386.451 4.533 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3ccncc3)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 9461418 CDVKSQJZCIYHGK-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)cc1 9708224 UJMRXTBJPRIPRO-NRFANRHFSA-N 392.524 4.681 0 40 GJAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1c2c(nc3ccccc13)CCC2 9721591 AZFQCRDXIVKMJO-UHFFFAOYSA-N 388.398 4.875 0 40 GJAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)s1 9723961 LLRNMEFSPPQZMF-KRWDZBQOSA-N 399.512 4.544 0 40 GJAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 10291292 PXLHUVVBNBIMDX-JOCHJYFZSA-N 397.471 4.547 0 40 GJAB O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(Cl)c(C(F)(F)F)c1 12548387 KKPPGVFFQBWYGN-UHFFFAOYSA-N 386.782 4.708 0 40 GJAB O=C(CCCCc1nc2ccccc2s1)Nc1ccc(C(=O)NC2CC2)cc1 12804322 UALAVMYLOYKORW-UHFFFAOYSA-N 393.512 4.540 0 40 GJAB COC(=O)[C@@H](Sc1nnc(Nc2cccc(Cl)c2)s1)c1ccccc1 13165320 UMKXOESSROFTAG-AWEZNQCLSA-N 391.905 4.942 0 40 GJAB COc1cc2ccccc2cc1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 14635475 AZEXDZRAGIZTGT-QHCPKHFHSA-N 391.467 4.747 0 40 GJAB COc1ccc(-c2cc3ncnc(NC4CCN(C(C)C)CC4)c3s2)cc1 15115343 MPUDRRXEQWTQQG-UHFFFAOYSA-N 382.533 4.652 0 40 GJAB CC[C@H]1CCc2sc(C(=O)Nc3ccc(N4CCCC4=O)c(OC)c3)cc2C1 15544805 FVOOIXANODFLPA-AWEZNQCLSA-N 398.528 4.651 0 40 GJAB Cc1cc(C)c(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c(C)c1 15880963 YWLSWBGVGMXSQP-UHFFFAOYSA-N 379.485 4.502 0 40 GJAB O=C(Nc1ccccc1OC(F)(F)F)c1cccc(OCc2cscn2)c1 16725140 XOJOINBRZHVNOG-UHFFFAOYSA-N 394.374 4.873 0 40 GJAB CCOc1ccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1 17308039 ZHZNTAPCKCMKAP-UHFFFAOYSA-N 379.851 4.920 0 40 GJAB Cc1csc2c([C@@H]3CCN(C(=O)c4cc(C(C)C)no4)C3)nc(C3CCC3)n12 19240509 HHGBXJKKFRONHC-OAHLLOKOSA-N 398.532 4.713 0 40 GJAB Fc1cccc(-c2cnc(-c3ccncc3)c(CNCCc3ccccn3)c2)c1 19401362 YVHVRKLRHCRQIM-UHFFFAOYSA-N 384.458 4.677 0 40 GJAB COc1cccc([C@H]2CCCN2C(=O)c2cc(C(C)C)nc3onc(C)c23)c1 19714757 CHNSUURSKGVIFN-LJQANCHMSA-N 379.460 4.641 0 40 GJAB COc1ccccc1Nc1nn(-c2ccc(F)cc2)c2c1C(=O)CC(C)(C)C2 20796683 UVHWMANPGZEVBP-UHFFFAOYSA-N 379.435 4.919 0 40 GJAB COc1ccc(C(=O)Nc2cc(-c3ccccc3F)nn2-c2ccccc2)cc1 21944895 NHXVSBAMMYMGBT-UHFFFAOYSA-N 387.414 4.939 0 40 GJAB CCOc1cc(CNCCc2ccc(F)cc2)cc(Br)c1OCC 22074648 ALBRFANDADABNG-UHFFFAOYSA-N 396.300 4.718 0 40 GJAB COc1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 22507945 VNOCLPLSOUANGQ-UHFFFAOYSA-N 381.476 4.665 0 40 GJAB CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3cccs3)ccc21 26121287 HGEYUNMQKVJRIY-UHFFFAOYSA-N 382.533 4.602 0 40 GJAB COc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)c2ccccn2)cc1 27662788 MYXSGAZOBQGZOU-UHFFFAOYSA-N 396.874 4.664 0 40 GJAB Cc1nc(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)n(C2CC2)c1C 32894140 UUSSNGOJBULMLF-OAHLLOKOSA-N 379.529 4.958 0 40 GJAB Cc1ccc(SCCSc2nnc(NC[C@@H]3CCCO3)s2)cc1C 32931632 QONNSMLKBWBQTF-AWEZNQCLSA-N 381.592 4.630 0 40 GJAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1sccc1-c1ccccc1 32983789 AKBALQRKGSMPEE-NRFANRHFSA-N 376.525 4.982 0 40 GJAB O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)Nc1cccc(F)c1 33326100 IMXLBYAXGGMWGK-QGZVFWFLSA-N 397.475 4.518 0 40 GJAB CC(C)CNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36357206 QLYMCBQGZCWQOZ-OAQYLSRUSA-N 376.500 4.516 0 40 GJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 38500877 URHBJTAEJNLRSE-DOTOQJQBSA-N 387.499 4.745 0 40 GJAB CCn1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=S)N2C)c2ccccc21 39556312 NWCINAUMSIUBGG-BKUYFWCQSA-N 389.524 4.882 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 39762888 UHMFDCACKQFNCC-GOSISDBHSA-N 384.951 4.690 0 40 GJAB Cc1cc(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c(C)s1 39979697 FRXUZKOCGCMHLN-QGZVFWFLSA-N 381.519 4.633 0 40 GJAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)s1 39989144 TZULRCGJBVYMQP-GFCCVEGCSA-N 379.551 4.744 0 40 GJAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)s1 39989177 CXMQSGUPIGHJSJ-CYBMUJFWSA-N 379.551 4.878 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2OC(F)(F)F)cc1 40104290 NFHDJFBFGOSSBG-MRXNPFEDSA-N 380.366 4.963 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1 40104896 NEGDBZBFKCKZMR-NRFANRHFSA-N 390.487 4.867 0 40 GJAB CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(Cl)cc1Cl 45889041 HNDVKXFKXAGVTK-UHFFFAOYSA-N 382.316 4.772 0 40 GJAB O=C(Nc1nc2c(s1)CCCCCC2)c1ccc(-n2cc[nH]c2=S)cc1 69370063 WAHPHJSCTYLTOE-UHFFFAOYSA-N 384.530 4.903 0 40 GJAB O=C(C(=O)N1CCc2ccccc21)c1cn(Cc2ccccc2F)c2ccccc12 96191725 DRXZBUXJTYPDII-UHFFFAOYSA-N 398.437 4.601 0 40 GJAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206876496 UZDZWXBFHDYGQC-OAQYLSRUSA-N 393.918 4.995 0 40 GJAB CCCCc1ccc2c(N)c(C(=O)Nc3ccc(C(F)(F)F)cn3)sc2n1 215708254 HGYUOKKOBBKJNX-UHFFFAOYSA-N 394.422 4.887 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OC(C)C)c(OC)c1 216279191 CJTWHLUXZVVGBG-IBGZPJMESA-N 385.504 4.573 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219369328 JDROOIDFTNGKTL-WOJBJXKFSA-N 397.515 4.888 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 223182462 HJOWTNIZICWBAR-JOCHJYFZSA-N 394.559 4.650 0 40 GJAB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 224689230 ZDBCEZWIMTXMQE-UHFFFAOYSA-N 381.497 4.789 0 40 GJAB COc1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225609095 XJZFKEAGSFVUTC-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB CCOC(=O)c1ccc2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 226236286 RBKBMVWMQIKWSW-UHFFFAOYSA-N 379.641 4.823 0 40 GJAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c(OC)c1 408562395 PKWOAGGDZNRLAN-FCQUAONHSA-N 396.512 4.612 0 40 GJAB CCSc1nnc2c(n1)O[C@@H](c1cccs1)N(C(=O)CC)c1ccccc1-2 684584 CWUDFZGTIZTYCL-SFHVURJKSA-N 398.513 4.546 0 40 GJAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc5nc(C)sc5c4)ccc1c23 957877 BIUKLYFMNWORNG-UHFFFAOYSA-N 387.464 4.990 0 40 GJAB COc1ccccc1NC(=O)[C@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C 1020367 OUQBEFBPZPPCCK-RPWUZVMVSA-N 387.483 4.606 0 40 GJAB COc1cccc(C(=O)Nc2cc(NC(=O)c3cccs3)ccc2C)c1OC 1330056 FHEKNQSIDCPKPN-UHFFFAOYSA-N 396.468 4.578 0 40 GJAB Cc1ccc(C)n1[C@@H](CC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCO2 1393759 YTJTUJISQFRVIV-IBGZPJMESA-N 380.419 4.591 0 40 GJAB CCOc1cccc(-c2nnc3sc(-c4ccc(N(CC)CC)cc4)nn23)c1 2409451 FPAGSRUNMIVKBP-UHFFFAOYSA-N 393.516 4.765 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)c1ccc[nH]1 2622570 NZNZNKIYDRDYEO-UHFFFAOYSA-N 396.422 4.516 0 40 GJAB Fc1ccc(-c2nnn3c2nc(N2CCc4ccccc4C2)c2ccccc23)cc1 2688985 QDJTXFKNCGGSIE-UHFFFAOYSA-N 395.441 4.646 0 40 GJAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 2764763 VDJHONBBLJSAHT-IRXDYDNUSA-N 380.469 4.793 0 40 GJAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1 3271325 WVQCOOMLLDLAFI-OAHLLOKOSA-N 396.512 4.924 0 40 GJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)C(c1ccccc1)c1ccccc1 3337114 LHNZABRTPFUVSV-UHFFFAOYSA-N 386.495 4.532 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(OC[C@H]2CCCO2)cc1 3351858 WNJYMHYCVWAJNI-HSZRJFAPSA-N 387.479 4.764 0 40 GJAB COc1cccc(-c2nnc(SCc3csc(-c4ccccc4)n3)n2C)c1 3381578 YHXYSAILWQEHBX-UHFFFAOYSA-N 394.525 4.907 0 40 GJAB COc1ccc(C(C)=O)cc1CSc1nnc2c(Cl)cc(Cl)cn12 3427543 NVNHYPCSVRRPSF-UHFFFAOYSA-N 382.272 4.540 0 40 GJAB CCCCCn1c(=S)[nH]c2cc(C(=O)Nc3cccc(C)c3)ccc2c1=O 3631130 ATWLVGDDHJHQHU-UHFFFAOYSA-N 381.501 4.810 0 40 GJAB CCCCCOc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1 4348544 JQYBEXQPNHIRLK-UHFFFAOYSA-N 384.457 4.846 0 40 GJAB O=c1c2c(nc(SCc3ccccc3F)n1CCc1ccccc1)CCS2 4358812 BGDBJKVCYVWRQY-UHFFFAOYSA-N 398.528 4.566 0 40 GJAB CCOC(=O)C1=C(C)N=C2SC=C(c3ccccc3)N2[C@@H]1c1ccccc1 4660613 GLMSPFYXFPLBRT-HXUWFJFHSA-N 376.481 4.982 0 40 GJAB CC(C)C[C@@H](NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(=O)O 4719233 ZVPZROOPCVBCES-LJQANCHMSA-N 397.581 4.834 0 40 GJAB biogenic,in-vitro Oc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccc3c(c2)OCO3)cc1 4848487 ZMNXTSDQPANKFK-UHFFFAOYSA-N 393.830 4.701 0 40 GJAB Fc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 5164841 XYTJWHSFAGZGJR-XXBNENTESA-N 388.398 4.797 0 40 GJAB Cc1cc(C(=O)CCC(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c(C)s1 5768310 KYEMDZBWJRPGHM-UHFFFAOYSA-N 388.529 4.657 0 40 GJAB O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1Cl 6476829 QCEWSZQRNUIOBF-UHFFFAOYSA-N 379.872 4.942 0 40 GJAB O=C1S/C(=C\c2cc3ccccc3oc2=O)C(=O)N1c1cccc(Cl)c1 6496497 VKOZHGHDKIWCRO-SXGWCWSVSA-N 383.812 4.687 0 40 GJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1 6518909 DYCBACXMDNXUEN-UHFFFAOYSA-N 381.545 4.612 0 40 GJAB COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 6627022 HPIKFNKBVCKYKN-UHFFFAOYSA-N 390.483 4.942 0 40 GJAB Cc1csc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)n1 7968914 QNPZIEZSBJJTMU-UHFFFAOYSA-N 376.437 4.786 0 40 GJAB COc1cc(CN(C)C(=O)Cc2ccsc2)ccc1OCc1ccccc1 8346261 ZBHHMVVQKYYPNQ-UHFFFAOYSA-N 381.497 4.537 0 40 GJAB O=C(/C=C/c1ccco1)NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1 8379355 XZQKAUAPHSSNPZ-ZZXKWVIFSA-N 398.296 4.723 0 40 GJAB C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)Nc1cccc(Cl)c1 8428072 QBRYOKAEAIWNPR-SNVBAGLBSA-N 393.299 4.898 0 40 GJAB COc1ccc(Cl)cc1NCC(=O)N[C@H](c1ccccc1)c1cccs1 11125305 MKJLMNJPMHJFBK-HXUWFJFHSA-N 386.904 4.728 0 40 GJAB COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1N1CCCC1=O 11263184 NTYBEWZYSWWPSR-UHFFFAOYSA-N 386.451 4.741 0 40 GJAB Cc1cc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)ccc1Br 14796467 OLKDUZCDRPRRDB-UHFFFAOYSA-N 398.304 4.871 0 40 GJAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccc(O)cc2)N1 15974560 ITMSJXGZYSYOEK-NRFANRHFSA-N 399.475 4.924 0 40 GJAB Oc1nc(SCc2ccc(Cl)cc2)nnc1Cc1ccc(Cl)cc1 16806792 FFXQPNHDUSNFKU-UHFFFAOYSA-N 378.284 4.767 0 40 GJAB C[C@H](Oc1ccc(Cl)c(Cl)c1)c1nn2c(=O)c3ccccc3nc2s1 17080068 GDHVVRKJMCFNMN-VIFPVBQESA-N 392.267 4.751 0 40 GJAB CCOc1cc([C@H]2N[C@@H](c3nc(C)cs3)Cc3ccsc32)ccc1OC 19532161 OCRODVPJSBYFEW-CRAIPNDOSA-N 386.542 4.897 0 40 GJAB Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2csc(C)c2C)c1C 19558233 ULHULVIMEBTKJB-SFHVURJKSA-N 398.532 4.738 0 40 GJAB Cc1nccn1Cc1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 19718771 KAKAVYIWOKEHML-UHFFFAOYSA-N 388.496 4.545 0 40 GJAB CCOc1cc2c(cc1OCC)[C@H](c1cccc(OC(F)(F)F)c1)NCC2 19848564 VIFWHSSFBKKRDF-IBGZPJMESA-N 381.394 4.618 0 40 GJAB COc1ccccc1O[C@@H](C)C(=O)N(Cc1ccccc1Cl)c1ccccn1 28293489 SIZXWKUUDFXUTM-INIZCTEOSA-N 396.874 4.744 0 40 GJAB O=C(/C=C\c1ccccc1)N1CCN(C(=O)/C=C\c2ccccc2)c2ccccc21 31666813 WYNLLKOVJYOTFX-IQRFGFHNSA-N 394.474 4.793 0 40 GJAB Cc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2ccccc2)no1 33324936 NMRWRVBPCKJQNP-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB COc1ccccc1CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1Cl)C2 35290522 AYDUUQGPJPCWSS-YQQQUEKLSA-N 398.934 4.664 0 40 GJAB Cc1cccc(C)c1NC(=O)CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 35291768 VYYURNCFQKFGCN-UHFFFAOYSA-N 396.922 4.651 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2oc(C(C)C)nc2c1 40081697 BMRFZBDPLPXRSN-FQEVSTJZSA-N 389.455 4.854 0 40 GJAB Cc1c(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)oc2c1C(=O)CCC2 40132981 QUBPRUKTCMUUDX-NRFANRHFSA-N 377.415 4.766 0 40 GJAB COc1cccc([C@@H](C)NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 40488461 KYLYJGIGIXAPAD-LLVKDONJSA-N 388.826 4.942 0 40 GJAB COc1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)cc1 40942546 NGUKBEYIJNQTMI-UHFFFAOYSA-N 378.266 4.599 0 40 GJAB Cc1ccc(C)c(N(C(=O)c2ccccc2C)S(=O)(=O)c2ccccc2)c1 40968042 MVZLLTSZSJPOBZ-UHFFFAOYSA-N 379.481 4.648 0 40 GJAB CN(Cc1ccc(Cl)cc1Cl)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 57504073 BIHPBTVITIJYJB-GOSISDBHSA-N 381.278 4.584 0 40 GJAB CCN(Cc1nc(-c2cc(Br)cs2)no1)Cc1ccccc1C 59833650 PBTPYSMBYBDJGI-UHFFFAOYSA-N 392.322 4.891 0 40 GJAB COc1ccc(-c2c(NC(=O)c3ccco3)oc3c(C)cccc3c2=O)cc1 100676469 JNECGYVCWQMLAS-UHFFFAOYSA-N 375.380 4.622 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219369079 NBFMMDOUQYIUQG-UXHICEINSA-N 397.515 4.888 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219859143 ARZYDPABUZWOOD-UHFFFAOYSA-N 394.515 4.807 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1C 222851427 HQQBWCRDQYBVJJ-CQSZACIVSA-N 375.852 4.540 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCCCC2)cc1 223696860 MYPDQPHFZUPYPC-UHFFFAOYSA-N 394.559 4.779 0 40 GJAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)cc1C 224648680 LYKGQJCLRKZJFM-UHFFFAOYSA-N 393.814 4.501 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C 225316288 UOJZXAIALJLFNO-QHCPKHFHSA-N 395.524 4.688 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(F)c(F)c1 225687086 IJRYSIPYLBUQHP-MRXNPFEDSA-N 378.444 4.562 0 40 GJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225826524 YSIHXYGOIIWSDU-OAQYLSRUSA-N 379.497 4.574 0 40 GJAB CC(C)[C@@H](C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)n1cccc1 575443163 YGUQQTRXBKWQGO-AWEZNQCLSA-N 383.395 4.832 0 40 GJAB Cn1nc(C2CC2)nc1CNc1cccc(Oc2ccc(Br)cc2)c1 647637975 ZXHJMIAVNBWIDF-UHFFFAOYSA-N 399.292 4.859 0 40 GJAB COc1ccc([C@H](CNC(=O)N2CC3CC2(C)C3)c2c[nH]c3ccccc23)cc1 663424342 ONBFTHRRTVDVIA-XUGLNINTSA-N 389.499 4.502 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)NC[C@@H](c1ccsc1)c1ccco1 675007831 TTWLKKFQPXMOAP-AWEZNQCLSA-N 396.295 4.975 0 40 GJAB CCC1(CC)CCc2nc(NC(=O)NCc3nc4ccc(C)cc4[nH]3)sc2C1 1678700511 AQMNMISLWZFHJU-UHFFFAOYSA-N 397.548 4.945 0 40 GJAB CC1=CC[C@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 704421 MCTDXPDDZLFJHR-WWOUZDQESA-N 382.500 4.941 0 40 GJAB Cc1nc(SCC(=O)Nc2ccccc2F)c2c3c(sc2n1)CCCC3 706856 HWPLRAXKGIEZOL-UHFFFAOYSA-N 387.505 4.748 0 40 GJAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)c(C)c1 781559 CMCVXYNOLPWSQB-UHFFFAOYSA-N 383.469 4.678 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1 827296 YWUSAVPNQSUUMM-LBPRGKRZSA-N 396.796 4.659 0 40 GJAB CCc1cccc(CC)c1NC(=O)CSc1nnc(Cc2ccccc2)o1 915417 LHHAALQEBJPVMR-UHFFFAOYSA-N 381.501 4.516 0 40 GJAB Cc1nc(SCC(=O)Nc2ccccc2Cl)c2c3c(sc2n1)CCC3 3267199 YWCMERVQQABWEA-UHFFFAOYSA-N 389.933 4.873 0 40 GJAB COc1cccc(-c2coc3cc4oc(=O)c(CCC(=O)O)c(C)c4cc23)c1 4029822 IBQJMOPQMGIECA-UHFFFAOYSA-N 378.380 4.540 0 40 GJAB biogenic CCOc1ccc([C@H]2C[C@@H](c3cccc4ccccc34)n3nc(N)nc3N2)cc1 4685338 XWZYOVNVBZESSJ-RTWAWAEBSA-N 385.471 4.559 0 40 GJAB O=C(NCCCc1nc2ccccc2n1C/C=C/c1ccccc1)c1ccco1 4802764 RZPMYBLXOMAZEG-YRNVUSSQSA-N 385.467 4.705 0 40 GJAB c1ccc(Cn2c(SCc3nnc(-c4cccs4)o3)nnc2C2CC2)cc1 5262080 DTOBBUAELCTIOJ-UHFFFAOYSA-N 395.513 4.608 0 40 GJAB Cc1ccc(S(=O)(=O)C(Sc2ccccc2)=S=NC(C)(C)C)cc1 5432454 KJGSAZJINYPEGC-UHFFFAOYSA-N 379.572 4.713 0 40 GJAB O=C1OC(c2cccs2)=N/C1=C1/C=C(c2cccs2)Oc2ccccc21 5451413 YTPRASLKFSOHDO-AQTBWJFISA-N 377.446 4.958 0 40 GJAB Cc1ccc2[nH]c3nc(SCC(=O)Nc4cc(Cl)ccc4C)nnc3c2c1 5519309 NTYVIMXFSNRQMU-UHFFFAOYSA-N 397.891 4.507 0 40 GJAB O=C(OCc1cn2ccccc2n1)c1ccccc1C(=O)c1ccc(Cl)cc1 5666070 QQSADLONDPOJCF-UHFFFAOYSA-N 390.826 4.576 0 40 GJAB CC(C)OC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 6151760 SRRHSFCZCIVLQV-UHFFFAOYSA-N 375.852 4.701 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 6216333 KXLWXPGHAIJSQK-UHFFFAOYSA-N 380.469 4.647 0 40 GJAB CC(C)/N=C1\S/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1C(C)C 6325051 PUBZNBMCZZLXKV-QNQNADBQSA-N 396.560 4.632 0 40 GJAB Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1)SC(=N)N2 6483932 JQSQKJKBVGSOGK-INIZCTEOSA-N 382.876 4.716 0 40 GJAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccccc1 6665282 SXHPBHDMIUVXDA-UHFFFAOYSA-N 388.471 4.547 0 40 GJAB COc1ccc2c(c1)CCc1cc(C(=O)Nc3ccc(OC)cc3OC)sc1-2 6946620 TVQJEILZUQXVCZ-UHFFFAOYSA-N 395.480 4.792 0 40 GJAB CCOc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCC 7538051 VVTVMNYPUIGQNC-UHFFFAOYSA-N 378.310 4.845 0 40 GJAB Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NC3CC3)cc12 7952797 QYEOUUOYRFFRLK-UHFFFAOYSA-N 380.300 4.654 0 40 GJAB C[C@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)c1nc2ccccc2c(=O)[nH]1 8568909 IPUDTGWAKHZSJB-QMMMGPOBSA-N 397.645 4.801 0 40 GJAB COc1ccc2cc(CNC(=O)CCC(=O)c3ccc(SC)cc3)ccc2c1 9939777 OCRJTHFXXMVDDC-UHFFFAOYSA-N 393.508 4.850 0 40 GJAB O=C(CSCc1ccc(Cl)cc1)NCCSCc1ccccc1F 10280285 QSYSSKYBWNPCHH-UHFFFAOYSA-N 383.941 4.762 0 40 GJAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1Cl 10729927 MWENCTSRRUIMML-UHFFFAOYSA-N 376.598 4.581 0 40 GJAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccc(F)cc1 11862127 GVDLOEKAAJKFQT-VMPITWQZSA-N 395.224 4.664 0 40 GJAB Cc1c(C(=O)c2ccc(F)cc2F)c2ccccn2c1CCc1ccccn1 12600439 GRVMIUWBWPDYAO-UHFFFAOYSA-N 376.406 4.937 0 40 GJAB COC(=O)[C@H](CSC/C=C(/C)CC/C=C(/C)CCC=C(C)C)NC(C)=O 13515440 MXSBUVKSWFWHTQ-BIDMWUBCSA-N 381.582 4.817 0 40 GJAB Cc1ccccc1CSCCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708440 LRTMCUSRUHTPJV-GOSISDBHSA-N 379.525 4.965 0 40 GJAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)ccc21 14074914 LPZWIEZZDOUSEX-VSDWSMLSSA-N 389.495 4.936 0 40 GJAB FC(F)Oc1ccccc1CNc1nc(-c2cccnc2)nc2ccccc12 14330647 LABWTGNBAVWLNR-UHFFFAOYSA-N 378.382 4.905 0 40 GJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1OC[C@@H]1CCCO1 16444890 PRJBOQISAGVLRJ-ZDUSSCGKSA-N 388.876 4.760 0 40 GJAB O=C(Nc1cccc2ccccc12)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 20095910 AHQGOYKJEFQZEZ-UHFFFAOYSA-N 392.414 4.893 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)c(C)c1 20110639 LCVCKCWUMUBCBF-KRWDZBQOSA-N 375.852 4.621 0 40 GJAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2ccccc2)CC1 21005308 FZRHZKLHUVDMSS-UHFFFAOYSA-N 380.875 4.558 0 40 GJAB CCCCOc1cccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)c1 21595545 JLBYJFYFYBEFKS-UHFFFAOYSA-N 393.512 4.849 0 40 GJAB CCOC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc(C)c1C 28284612 YVIYQCOXYFOQMQ-UHFFFAOYSA-N 375.490 4.683 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2coc(-c3cccc(F)c3)n2)cc1OC 28966496 LWAYBPBASLMUNF-IBGZPJMESA-N 382.435 4.835 0 40 GJAB O=C(NCCCc1ccc(F)cc1)c1ccc(CN2CCc3ccccc32)cc1 30757583 ZEKIZUBZMCLATC-UHFFFAOYSA-N 388.486 4.751 0 40 GJAB Cc1nc(NC(=O)c2ccccc2F)sc1-c1nc(-c2ccccc2)no1 31814199 FZQWADZLFLVWCX-UHFFFAOYSA-N 380.404 4.560 0 40 GJAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)C1(c2ccccc2)CCC1 32904305 CZAVHSYNGDTECH-UHFFFAOYSA-N 382.935 4.543 0 40 GJAB Cc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCCCCC2)OCO4)cc1 36102755 NNRGVMHWZBBXKN-UHFFFAOYSA-N 388.467 4.883 0 40 GJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cn2ccnc2)cc1 38850696 OBWGGISIBSNBQJ-UHFFFAOYSA-N 383.451 4.763 0 40 GJAB COc1ccc([C@H](Nc2ncc(C(F)(F)F)cc2Cl)c2nccn2C)cc1 40018068 NLWSQXSKHFJYIE-HNNXBMFYSA-N 396.800 4.697 0 40 GJAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC[C@@H](C(F)(F)F)C1 40072622 CKEWYZXCGPNWFQ-MRXNPFEDSA-N 391.437 4.691 0 40 GJAB CCOc1ccc([C@H](NC(=O)CCc2c(C)noc2Cl)c2ccccc2)cc1 60100762 SNUIXLIYEPLCGD-OAQYLSRUSA-N 398.890 4.874 0 40 GJAB CCN(CC)c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1N 72229195 FGEIHDIXGDGRRN-UHFFFAOYSA-N 396.716 4.783 0 40 GJAB C[C@H](NC(=O)COc1cccc(-c2nc(-c3ccccc3)no2)c1)c1ccccc1 72242809 MWDCRFAKIAGQQA-KRWDZBQOSA-N 399.450 4.660 0 40 GJAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(OC)cc1 72328522 FACXCIHXQKMYDM-UHFFFAOYSA-N 397.906 4.991 0 40 GJAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(Cl)c2c1 72329821 UERFYAZJTQNILC-UHFFFAOYSA-N 382.268 4.691 0 40 GJAB CCN(CC)Cc1ccccc1NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 72391797 XSCSNYCXMLSABU-UHFFFAOYSA-N 390.409 4.676 0 40 GJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 96589854 GPDJONMNHYHANA-TZMCWYRMSA-N 377.271 4.542 0 40 GJAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CNc1ccc3c(c1)oc1ccccc13)C2=O 100493498 RNKMIWQDRWSWCD-UZUQRXQVSA-N 376.456 4.767 0 40 GJAB CCCC(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccncc2)CC1 100739087 KOBOTSYYTXHXBK-IZAXUBKRSA-N 380.536 4.852 0 40 GJAB O=C(Nc1ccc(Cl)cc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100789279 DZMCKYRTKGALSP-DEPWHIHDSA-N 385.939 4.767 0 40 GJAB biogenic Cc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(Cc4ccccc4)c(=N)c32)cc1 101348765 ZRAFUWCIJFCSTG-JOCHJYFZSA-N 395.462 4.711 0 40 GJAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1 102703809 SOZJITLHFNOERV-HTAPYJJXSA-N 386.455 4.660 0 40 GJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 118914989 GSSIBIORSPCRIO-CPDXTSBQSA-N 376.537 4.704 0 40 GJAB O=C(Nc1nc2ccccc2s1)[C@@H]1C[C@H]2C[C@H]1[C@](F)(C(F)(F)F)C2(F)F 135888654 DFAPUXWLYQUGGJ-FSEIGPPCSA-N 394.340 4.797 0 40 GJAB Cc1ccc2c(c1)cc(C(=O)N[C@@H](CCN1CCCCC1)c1ccccc1)n2C 141572477 HUSRLBSXAVSKEM-QFIPXVFZSA-N 389.543 4.834 0 40 GJAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCS[C@@H](c2ccccc2F)CC1 219076983 OXYYRTDHFNNMNT-QGZVFWFLSA-N 387.505 4.598 0 40 GJAB COc1ccc2ccccc2c1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222586856 WCFJTWVQURELEN-SZFUDVHCSA-N 375.497 4.833 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCOc2ccccc2Cl)c1 222667138 FHINRKKYWCIQRG-INIZCTEOSA-N 375.896 4.734 0 40 GJAB Cc1ccc(C)c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 223352518 SPUZAKMYQXNSDP-UHFFFAOYSA-N 384.523 4.851 0 40 GJAB O=C(NCCOc1ccccc1Cl)c1ccccc1OCc1ccccc1 224273770 XERLADCRJHIGMH-UHFFFAOYSA-N 381.859 4.728 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1 224446470 KGIISRYBZAZBCR-HXUWFJFHSA-N 375.896 4.645 0 40 GJAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 224533447 QJAZGRUJADBKNS-KRWDZBQOSA-N 384.951 4.992 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)n1 225286521 ANPMGOIKUBWDOS-UHFFFAOYSA-N 388.298 4.785 0 40 GJAB Cc1ccc([C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)c(C)c1 225455550 HTOUXVGOOAZVGQ-VWLOTQADSA-N 398.506 4.950 0 40 GJAB CCOCCOc1ncc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C 225896148 KHMWXFPHFIOVGC-UHFFFAOYSA-N 394.556 4.611 0 40 GJAB CC1=C[C@@H](C)[C@@H](CN2CCN(C[C@H]3[C@@H](C)C=C(C)C[C@H]3C)[C@@H]2C(C)C)[C@H](C)C1 239426039 VQHCAYWQEPUJSF-PDOOFQMASA-N 386.668 6.063 0 40 GJAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)CC(C)C)ccc3O)nc2c1 408626930 JNLAAMCCZXTBNS-UHFFFAOYSA-N 397.500 4.622 0 40 GJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 409230238 COZFILNDZIJFCH-WOJGMQOQSA-N 384.863 4.529 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148835 ISOJOXFPXONXLJ-QHCPKHFHSA-N 398.506 4.910 0 40 GJAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ncoc1C1CC1 618238050 PPOOKAQPMKTXSI-LJQANCHMSA-N 394.393 4.688 0 40 GJAB Cc1ccc(N2CCC([C@H]3CCCCN3Cc3ccc(Cl)cc3)CC2)nn1 2056225615 TWDBJFIVMIYDCY-OAQYLSRUSA-N 384.955 4.710 0 40 GJAB CCN(CC)c1ccc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2c1 846014 CASNSBWMVCDORS-UHFFFAOYSA-N 375.428 4.665 0 40 GJAB CC(=O)Nc1ccc(NC(=O)CSc2cc(C)c3ccc(C)c(C)c3n2)cc1 881542 BQNLSMYQBFHECU-UHFFFAOYSA-N 393.512 4.849 0 40 GJAB Cc1cc2cc(CN(Cc3cccs3)C(=O)c3ccco3)c(=O)[nH]c2cc1C 1366555 RQFATYKUKMGALL-UHFFFAOYSA-N 392.480 4.642 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)OCc1cn(-c2ccc(Cl)cc2)nn1 1387973 XQZPCSJVCOZYBC-UHFFFAOYSA-N 396.756 4.688 0 40 GJAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 1404163 AQYRJVYTEUNOOD-UHFFFAOYSA-N 398.721 4.651 0 40 GJAB Cc1cccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)c1 1509621 BOYSGTNUJJKBNL-JOCHJYFZSA-N 390.870 4.832 0 40 GJAB Cc1ccc(NC(=O)OCCSCCOC(=O)Nc2ccc(C)cc2)cc1 1640274 MDGQRPGGCDQUQA-UHFFFAOYSA-N 388.489 4.834 0 40 GJAB Cc1nn(-c2ccccc2)c(NC(=O)C2CCCCC2)c(-c2ccccc2)c1=O 2229293 DRCRQKMWKUFWDZ-UHFFFAOYSA-N 387.483 4.727 0 40 GJAB CCC[C@H]1Cc2c(sc3nc(SCc4cccc(F)c4)nc(N)c23)CO1 2229355 LAZZLQIYKQIALU-ZDUSSCGKSA-N 389.521 4.946 0 40 GJAB Cc1ccccc1[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@H]2c1cccs1 2707213 OTINGDSTQHQADC-YADHBBJMSA-N 398.491 4.861 0 40 GJAB COc1ccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)cc1 2723184 CYEMEJVSYLBGSC-UHFFFAOYSA-N 389.480 4.765 0 40 GJAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(CC)cc2)cc1 2723226 NEPIDVORSOZOMF-UHFFFAOYSA-N 381.501 4.564 0 40 GJAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)c2c3c(sc2n1)CCC3 3267150 GVCITJOFYRSFFB-UHFFFAOYSA-N 389.933 4.873 0 40 GJAB Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1-c1ccccc1 3323052 XICSDCNRVJFXDN-UHFFFAOYSA-N 389.451 4.613 0 40 GJAB CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1OCC 3431538 MOZOIRBJZDVPRB-QGZVFWFLSA-N 399.487 4.593 0 40 GJAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(C(F)(F)F)c1 4033094 UICAQJXNYCSPGT-UHFFFAOYSA-N 396.372 4.976 0 40 GJAB Cc1cccc(C)c1OCc1nc2c3c4c(sc3ncn2n1)CCCCC4 4155115 IAZDYHXSSUWTFZ-UHFFFAOYSA-N 378.501 4.804 0 40 GJAB COc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)cc1 4304731 RGLQPHGKNAYGJV-UHFFFAOYSA-N 375.453 4.547 0 40 GJAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 4554890 FDJCLIHDJDUXGL-AREMUKBSSA-N 399.490 4.961 0 40 GJAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCCCC2)cc1 4668769 WMGKBJPKUZMADQ-FQEVSTJZSA-N 378.472 4.908 0 40 GJAB CCCc1cc(=O)oc2cc(O[C@H](C(=O)OC)c3ccccc3)c(Cl)cc12 4747489 GABIDEINFBYANH-FQEVSTJZSA-N 386.831 4.692 0 40 GJAB CCN1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 5247215 IQWBSZNVMSTERS-UHFFFAOYSA-N 399.538 4.599 0 40 GJAB CC(=O)Oc1ccc(-c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 5505263 QTYLFMDWMYGDBC-UHFFFAOYSA-N 389.495 4.978 0 40 GJAB CC(C)N1C(=O)S/C(=C/c2cccn2-c2cccc(Br)c2)C1=O 5789774 YFAYFACWNJKPDW-XNTDXEJSSA-N 391.290 4.685 0 40 GJAB CCOc1ccccc1C[C@@H]1SC(=O)N(Cc2ccc(Cl)cc2)C1=O 7066085 ADFSGWDRDLJMSB-KRWDZBQOSA-N 375.877 4.545 0 40 GJAB COCCn1c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)nc2ccccc21 8134561 OCYSMCUZFUSDEF-AWEZNQCLSA-N 379.485 4.528 0 40 GJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 9052727 FUDZOTDDZLMYGZ-ZRFNAWPJSA-N 397.474 4.516 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(Cl)cc1Cl 10903254 RNWXYZQIWFLOGH-UHFFFAOYSA-N 388.298 4.785 0 40 GJAB Clc1ccc(Cc2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 12322177 KDRAWFNMCRJHEC-UHFFFAOYSA-N 377.860 4.645 0 40 GJAB CC[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(C)cc1 12911383 HOWHMOVJOBXFFE-UDFXALJUSA-N 390.527 4.514 0 40 GJAB COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)n1 13495158 ADMNQGQCPYMUNV-CQSZACIVSA-N 379.460 4.534 0 40 GJAB CCSc1nnc(NC(=O)c2ccccc2SCc2ccco2)s1 14189406 POBIBOVBOYYXFF-UHFFFAOYSA-N 377.516 4.788 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)c(OC)c1 16382456 UCEKIWXAKBHFIM-GOSISDBHSA-N 399.878 4.744 0 40 GJAB CCOc1cc(Cl)c(S(=O)(=O)Nc2ccccc2OCC)cc1Cl 16780639 ACPOGLNCISAHLU-UHFFFAOYSA-N 390.288 4.592 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2NCCC(C)C)c1 17246802 XQALNUKULLGGPI-UHFFFAOYSA-N 398.532 4.505 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)ccc1Cl 20458417 HUBLVBXNKLVYFT-LJQANCHMSA-N 389.879 4.930 0 40 GJAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)cc1 21805508 NBPIKDUCUUGOAU-LJQANCHMSA-N 395.528 4.669 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)cc1 22067946 ZBPUVZGTXQPWHG-UHFFFAOYSA-N 395.547 4.568 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2cc(OC)cc(OC)c2)cc1 24393328 NUGUDGRAOKYKTM-QHCPKHFHSA-N 397.515 4.789 0 40 GJAB O=C1COc2cc(C(=O)Nc3ccccc3Oc3ccccc3Cl)ccc2N1 24401343 KEINQCQVAYNRIA-UHFFFAOYSA-N 394.814 4.716 0 40 GJAB CC(=O)N(c1nc(CNCCc2ccccc2)cs1)c1c(C)cccc1C 24631124 BDSVNYGGNQLEJH-UHFFFAOYSA-N 379.529 4.777 0 40 GJAB COc1ccccc1CN(CCCn1ccnc1)Cc1cccc2cccnc12 43277800 AYCUBGDKPDSQFQ-UHFFFAOYSA-N 386.499 4.532 0 40 GJAB Cc1cccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 44909622 FMOFPIKYUKKZSJ-NRFANRHFSA-N 384.951 4.609 0 40 GJAB Cn1ccnc1-c1nc(NCc2ccccc2F)ncc1-c1ccc(Cl)cc1 57775079 LVINKYJNXTXVOK-UHFFFAOYSA-N 393.853 4.949 0 40 GJAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)c1c[nH]c2ccccc12 58175378 PRWXDWCIPLQTNF-UHFFFAOYSA-N 375.497 4.840 0 40 GJAB O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cccc(C(F)(F)F)c1 60058704 HBHAGUQTDHINOA-UHFFFAOYSA-N 390.336 4.962 0 40 GJAB COc1ccc(-c2noc(C3(NC(=O)c4ccc(C)cc4)CCCCC3)n2)cc1 65257869 YDQMKMCNKRDDQL-UHFFFAOYSA-N 391.471 4.643 0 40 GJAB O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC(c2c[nH]c3ncccc23)CC1 65817930 NZXBPAXCYHTEJH-DOTOQJQBSA-N 379.426 4.638 0 40 GJAB COc1ccc2nc(C)c(C(=O)N3CCC[C@H]3Cc3cccc(F)c3)cc2c1 70005234 NBFOYLHMIFUTFN-IBGZPJMESA-N 378.447 4.538 0 40 GJAB CCc1ccc(CNC(=O)c2sc(Nc3ccc(Cl)cn3)nc2C)cc1 71326348 NQWWBKIZEBFOEX-UHFFFAOYSA-N 386.908 4.736 0 40 GJAB CCCc1ccc(-c2nc(NC(=O)c3c(C)nn4cccnc34)sc2C)cc1 71940762 ZDXWFAKNCACYQG-UHFFFAOYSA-N 391.500 4.674 0 40 GJAB Cc1csc(Sc2ccc(NC(=O)N3C[C@@H](C)OC(C)(C)C3)cc2)n1 78702931 MNHSLJGEERHOHY-CYBMUJFWSA-N 377.535 4.634 0 40 GJAB Nc1ccc(F)c(NC(=O)CCNC2(c3ccc(Cl)cc3)CCCCC2)c1 78971172 WJCQPTCHBPWPFJ-UHFFFAOYSA-N 389.902 4.839 0 40 GJAB Cc1ccc(S(=O)(=O)n2cc(Br)c3c(Cl)cccc32)cc1 90395700 HHDOAMYHCPTJHI-UHFFFAOYSA-N 384.682 4.603 0 40 GJAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)NC5CC5)cc34)cs2)cc1 96154432 PJADUWDJRATGBY-UHFFFAOYSA-N 391.452 4.519 0 40 GJAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1Oc1ccccc1 102151598 TYBOOHRLZNHHRC-BZSNNMDCSA-N 379.456 4.787 0 40 GJAB Cc1ccc(C)c(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)c1 102529157 KBHNTPUXJKKMCO-UHFFFAOYSA-N 397.478 4.800 0 40 GJAB O=C1O[C@]2(CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)c2ccccc21 211112567 QZIZUWXALFTLED-IBGZPJMESA-N 391.254 4.687 0 40 GJAB O=C(COc1ccc(F)cc1)NCCSCc1ccc(Cl)cc1Cl 222780496 NSRDQTGUOXRAQZ-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1C(C)(C)C)CC(C)(C)O2 222801437 XOYOPBADPIKHEA-LJQANCHMSA-N 397.515 4.790 0 40 GJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(-c2ccccc2)s1 222802487 IWXMWDXGDHHLDG-AWEZNQCLSA-N 375.453 4.764 0 40 GJAB CC[C@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(OC)c(OC)c1 223142353 FVFDHSMSTPTYCH-IBGZPJMESA-N 385.504 4.782 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(Cl)c3)o2)c(OC)c1 224867263 LXUHEZLCQQZNLK-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc5ncccc5c4)OCC[C@@]31C2 257266545 MDLJSEKIRLXDTC-OPCLUDPOSA-N 378.516 4.643 0 40 GJAB CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)[nH]n1 257316691 VGORGHKNHUDRGN-IBGZPJMESA-N 392.503 4.653 0 40 GJAB CCCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408556616 JTKUSTGMWMKZLG-LJQANCHMSA-N 377.893 4.916 0 40 GJAB O=C(Nc1n[nH]c2cc(O)ccc12)c1ccc(COc2ccc3ccccc3c2)o1 647801500 NBMHLKSRIRFVFB-UHFFFAOYSA-N 399.406 4.846 0 40 GJAB CCCc1nc2sc3c(N(CC)CC)ncnc3c2c2c1COC(C)(C)C2 658426 KPGJVYJHQXAYNX-UHFFFAOYSA-N 384.549 4.890 0 40 GJAB O=C(NCCC1=CCCCC1)c1ccc(Br)cc1Br 682954 CNUAPRZUFVKOBP-UHFFFAOYSA-N 387.115 4.832 0 40 GJAB O=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(Nc1ccccc1)C2=O 829901 MHNURGOEZGIGCT-UHFFFAOYSA-N 392.414 4.694 0 40 GJAB S=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCC1 1370079 XCPZQPKXBWLDQZ-OALUTQOASA-N 377.985 4.955 0 40 GJAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1Cl 1377897 YXRVMTSYWONUII-PMACEKPBSA-N 382.935 4.964 0 40 GJAB O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1nnsc1Br 1416791 HVXNHDOPUCVEDK-UHFFFAOYSA-N 387.473 4.513 0 40 GJAB Cn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Br)cc1 2523976 IOEWVXUIENFZIQ-UHFFFAOYSA-N 378.270 4.676 0 40 GJAB CC1(c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)SCCS1 2534603 VPUDKWNEIAYDQH-UHFFFAOYSA-N 386.947 4.760 0 40 GJAB CCn1c(SCCCC(=O)c2ccc(F)cc2)nnc1-c1cccs1 3325216 SGAWDMRFBWCQFO-UHFFFAOYSA-N 375.494 4.921 0 40 GJAB Cc1ccc(-c2csc(C3=C(N)N(c4ccccc4Cl)C(=O)C3)n2)cc1 3334997 AZACBRMYRFKJIG-UHFFFAOYSA-N 381.888 4.836 0 40 GJAB COc1ccc(Br)c(C(=O)Oc2cccc(Cl)c2Cl)c1 3603230 CZMJCXXXGPJZSF-UHFFFAOYSA-N 376.033 4.984 0 40 GJAB C[C@]12CC[C@@H]3c4ccc(OCc5ccc(F)cc5)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O 4027827 GWXDJKCRYNAAKC-HIOJCNTLSA-N 396.502 4.593 0 40 GJAB biogenic O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccccc1Oc1ccccc1 4275986 ZZZNEGCUDUHYEI-UHFFFAOYSA-N 375.359 4.920 0 40 GJAB CC(C)n1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccco1 4736121 LRJYWHBOZGXLOB-UHFFFAOYSA-N 376.869 4.503 0 40 GJAB CCc1ccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)cc1 6124498 NWVJVNKLOYTQII-UHFFFAOYSA-N 395.462 4.815 0 40 GJAB CC(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1 6364631 MFMMKLDYEOBMIO-UHFFFAOYSA-N 386.908 4.625 0 40 GJAB CS(=O)(=O)c1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1 8343387 PAYCXUBGVJZYAS-UHFFFAOYSA-N 394.315 4.643 0 40 GJAB CCCc1n[nH]c(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 8728145 GHOFKOYDAXNJCG-MRVPVSSYSA-N 392.834 4.549 0 40 GJAB CCc1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccccc4)nc32)cc1 9131260 GGTGAAIBSQSACO-QGZVFWFLSA-N 391.496 4.626 0 40 GJAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(OC[C@@H]2CCCO2)cc1 9582773 RPFKGAIRMKXCEH-SFTDATJTSA-N 385.891 4.779 0 40 GJAB Cc1ccc(C)c(C(=O)CCC(=O)OCc2nnc(-c3ccccc3Cl)o2)c1 9683151 GSKCPUMHHOLTRD-UHFFFAOYSA-N 398.846 4.713 0 40 GJAB C[C@@H](CCCC(C)(C)O)NC(=O)c1csc(Nc2ccccc2Cl)n1 9846134 DIXNWYMUONOGKZ-LBPRGKRZSA-N 381.929 4.600 0 40 GJAB CCCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)c2ccccc12 11613990 QAPIKRGCSOFYCX-UHFFFAOYSA-N 399.468 4.518 0 40 GJAB CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)c1 12062903 YVZYVMHMFDHNTI-NRFANRHFSA-N 391.467 4.845 0 40 GJAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4c(F)cccc4F)C3)cc2c1C 12187865 XMZRBHNQMKOUFC-MRXNPFEDSA-N 396.437 4.850 0 40 GJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)Cc1c(Cl)cccc1Cl 12525631 XOXQOGJRYHLDJK-UHFFFAOYSA-N 398.240 4.939 0 40 GJAB C[C@@H](Sc1nccn1C1CC1)C(=O)N(c1nccs1)C1CCCCC1 12647185 AUULDIDAVBKKGE-CYBMUJFWSA-N 376.551 4.521 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cc(C(F)(F)F)ccc1=O 12950029 OUYVMEYIFLWMMG-UHFFFAOYSA-N 380.410 4.753 0 40 GJAB CCn1c(Cc2ccccc2)nn(CN(C)Cc2ccc(Cl)cc2)c1=S 13072190 CQQKTAQQGPLYMQ-UHFFFAOYSA-N 386.952 4.768 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(Br)cc2)cc1 13612504 OIPBEAQUNZJNKR-UHFFFAOYSA-N 376.294 4.599 0 40 GJAB Nc1c(Cl)c(Cl)nc(C(=O)OCCOc2ccc(Cl)cc2)c1Cl 14704479 ZGLYQWSWNNOWIJ-UHFFFAOYSA-N 396.057 4.513 0 40 GJAB Cc1ccc([C@@H](NC(=O)c2ccccc2Br)c2cccnc2)cc1 15839692 XUVOAYATKDXEFT-LJQANCHMSA-N 381.273 4.672 0 40 GJAB CSc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 15880246 KTXRAVPZBALQNG-UHFFFAOYSA-N 395.553 4.676 0 40 GJAB CCC(CC)C(=O)N1CCC(c2noc3nc(C)cc(C(F)(F)F)c23)CC1 19500110 VGNQPXNNHZZURK-UHFFFAOYSA-N 383.414 4.692 0 40 GJAB Fc1ccccc1Cc1nnc2sc(COc3ccc4ccccc4c3)nn12 19910074 OTBYPBVXCPIBHN-UHFFFAOYSA-N 390.443 4.648 0 40 GJAB C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(F)cc1 20109045 XMTCSRTYFOEBRJ-GFCCVEGCSA-N 382.298 4.699 0 40 GJAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 21587331 PGIKLWMENXXMRD-HXUWFJFHSA-N 380.488 4.519 0 40 GJAB COc1cc(CN[C@H](C)[C@@H](O)c2ccccc2)ccc1OCc1cccs1 22076387 SXHDONGRNUFPEX-OPAMFIHVSA-N 383.513 4.547 0 40 GJAB COC(=O)/C=C/c1ccc(OCc2ncc(-c3cccc(Cl)c3)o2)c(OC)c1 24770394 UDPWBMUAMXAKRL-VQHVLOKHSA-N 399.830 4.769 0 40 GJAB Cc1ccc(-n2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C)cc1 29548709 WMRVIZOTQQPGSP-UHFFFAOYSA-N 375.350 4.640 0 40 GJAB Cc1ccc([C@@H](NS(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2)cc1 30857333 CCLYYKRSFDWMFD-QFIPXVFZSA-N 379.525 4.988 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30943677 YOUPGUBFZYNQOW-WIYYLYMNSA-N 384.951 4.690 0 40 GJAB COc1ccc(-c2nc(C[S@@](=O)Cc3ccccc3C)cs2)c(OC)c1 32801416 CMSZMKUFYNWFSG-AREMUKBSSA-N 387.526 4.585 0 40 GJAB C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(c2c[nH]c3ccccc23)CC1 32879774 HMKJWWWCQMRAGT-QGZVFWFLSA-N 393.506 4.534 0 40 GJAB COc1ccc(-c2cc(Nc3cc(Cl)nc(N)n3)ccc2OC(F)F)cc1 40067506 OPEPYOOYSBGYPH-UHFFFAOYSA-N 392.793 4.733 0 40 GJAB Cc1c(C(=O)Nc2ccccc2OCCc2ccccc2)oc2c1C(=O)CCC2 40134082 PFLZYYQEPABIFJ-UHFFFAOYSA-N 389.451 4.981 0 40 GJAB CSc1nc(C)c(CCC(=O)Nc2cccc(OC3CCCC3)c2)c(C)n1 43731012 CHTCXRVETUSQCB-UHFFFAOYSA-N 385.533 4.708 0 40 GJAB Cc1ccc([C@@H](NC(=O)c2ccc(Cn3ccnc3)cc2)c2ccccc2)cc1 44938127 WOMKFGRAVRXRPP-DEOSSOPVSA-N 381.479 4.759 0 40 GJAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3nnc(C(C)(C)C)s3)c(C)c12 55976674 PNYCGWGNLGMZPY-UHFFFAOYSA-N 387.534 4.587 0 40 GJAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC(COc2ccccc2)CC1 65675860 HDBUXWKMWSYTTQ-UHFFFAOYSA-N 378.299 4.854 0 40 GJAB FC(F)(F)c1cccc(-c2noc([C@H]3CCN(Cc4cccs4)C3)n2)c1 72369954 ZJQUTWQPWMVKRE-ZDUSSCGKSA-N 379.407 4.806 0 40 GJAB Cc1c(C(=O)O)sc2[nH]c(/C(=C/c3cccs3)c3ccccc3)nc(=O)c12 96920062 BGPKHFNTBJVUAP-GXDHUFHOSA-N 394.477 4.642 0 40 GJAB COc1ccc(NC(=O)[C@@]23CC[C@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 100752462 ZCIYDIOIEKRGJT-DNQXCXABSA-N 387.483 4.606 0 40 GJAB Cc1sc2ncnc(SC[C@H](O)COCc3ccc(Cl)cc3)c2c1C 215876306 SYAZWFCNBZLCMU-OAHLLOKOSA-N 394.949 4.631 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 216321128 XIJZKWGXBBCVFP-IRXDYDNUSA-N 382.504 4.744 0 40 GJAB Cc1cc(OCC(=O)NCCCc2ccccc2Cl)ccc1Br 218825251 PUYYQYGDJFLOKY-UHFFFAOYSA-N 396.712 4.539 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 219291616 QRPNRDYDINMJHU-INIZCTEOSA-N 375.896 4.645 0 40 GJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)cn3)N21 222675370 XNWDHBFYXRAQGP-ORYQWCPZSA-N 389.528 4.555 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc2ccccc2c1 222837951 OTJRLZGGYVNJGU-OAQYLSRUSA-N 391.467 4.646 0 40 GJAB O=C(NCc1ccco1)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 225462888 ASPSCKQJEJNDII-UHFFFAOYSA-N 385.876 4.672 0 40 GJAB O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Nc1ccccc1Cc1ccccc1 257306770 SVUWVATXXKVEAZ-TWJOJJKGSA-N 386.539 4.761 0 40 GJAB CCN1C(=O)CCc2cc(NC(=O)N3CCc4ccccc4[C@@H]3C(C)C)ccc21 680601242 RSPZCSYAWWZHSR-QHCPKHFHSA-N 391.515 4.773 0 40 GJAB CC1CCC(C)(CNC(=O)c2nc3ccccc3cc2Br)CC1 1543836613 QLILMLYEIRABGZ-UHFFFAOYSA-N 375.310 4.944 0 40 GJAB CC(C)c1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1 645720 RTVLAZQWAHSVHJ-UHFFFAOYSA-N 399.493 4.932 0 40 GJAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)N(CC)CC)c2c1 922143 JSPKQFKZGMYTCC-UHFFFAOYSA-N 397.519 4.959 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)ccc21 2129279 FMQSFXLYUGDCOT-RPWUZVMVSA-N 390.483 4.875 0 40 GJAB COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)cc1 2351359 BXRDRFAACQWCQV-SFHVURJKSA-N 383.451 4.626 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O 2685558 ZXXPGHAKVKCFEV-CXUHLZMHSA-N 375.833 4.685 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)s2)c(C)c1 3379002 DCACHCSSWIGVIJ-DZGCQCFKSA-N 390.578 4.686 0 40 GJAB O=C(COc1ccc(Br)cc1Cl)N[C@@H]1CCCc2ccccc21 3444986 IGCWABJQBYYNHW-MRXNPFEDSA-N 394.696 4.675 0 40 GJAB CC(C)n1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4033373 FZBGTARPNFSZDI-CQSZACIVSA-N 398.304 4.900 0 40 GJAB Fc1ccc([C@H]2c3[nH]cnc3CCN2C(=S)Nc2ccc(Cl)cc2)cc1 4033737 DRLLZVBXNDOCNN-SFHVURJKSA-N 386.883 4.547 0 40 GJAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3 4083906 MNFVYVHTLBDTIR-STHVQZNPSA-N 376.537 4.515 0 40 GJAB biogenic CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1ccc(F)cc1 4933877 UGRWYTVJRCAEFQ-HXUWFJFHSA-N 394.446 4.722 0 40 GJAB Cc1cc(NC(=O)c2cccc(Cl)c2)c(C)cc1I 5538811 CNCSJIKXTCZEJF-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 6654821 XQAHQRFUEXYCIT-ZSOIEALJSA-N 378.793 4.564 0 40 GJAB Cc1c(C)n(C2CCCCC2)c2ncn3nc(COc4ccccc4)nc3c12 6760244 UDIIHGKOQMVQFA-UHFFFAOYSA-N 375.476 4.780 0 40 GJAB COc1cccc(CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c1OC 7017793 BIGDCWOVSDPYOF-UHFFFAOYSA-N 390.483 4.588 0 40 GJAB Cc1ccc(-c2csc3ncn(CC(=O)c4c[nH]c5ccccc45)c(=O)c23)cc1 7061846 HNGZBSYBEHOJGT-UHFFFAOYSA-N 399.475 4.798 0 40 GJAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O 7087448 XZTNALNZTSOERV-GOSISDBHSA-N 395.311 4.553 0 40 GJAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)c1 7236835 JBIZGPOTNZSQJA-INIZCTEOSA-N 380.513 4.958 0 40 GJAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cccc(C(F)(F)F)c1 7407841 AXWFXRWJXDVYOE-UHFFFAOYSA-N 386.373 4.569 0 40 GJAB CCOc1ccc2nc(NC(=O)c3ccc(OC(F)F)c(OC)c3)sc2c1 7768098 BEFUVNAHUHAVJU-UHFFFAOYSA-N 394.399 4.557 0 40 GJAB O=C(NCC(=O)c1cccs1)c1ccc(-c2c(Cl)cccc2Cl)o1 8020164 UDQOKPFQAGJHEG-UHFFFAOYSA-N 380.252 4.928 0 40 GJAB Cc1ccc(F)cc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10511594 PLKXXEWYRKVDEK-UHFFFAOYSA-N 376.435 4.518 0 40 GJAB CCN1C(=O)c2cccc3c(NC(=O)CSCc4ccccc4)ccc1c23 10591175 VAEYEFJZLDZBDH-UHFFFAOYSA-N 376.481 4.692 0 40 GJAB COc1ccc(CNC(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 12748881 OZKUOYRIHSFJPP-RBUKOAKNSA-N 388.511 4.718 0 40 GJAB COc1cc(OC)c(OC)cc1C[C@H]1C(=O)N(c2ccccc2)c2ccccc21 15018240 CRMSBZSUTVEIEX-LJQANCHMSA-N 389.451 4.717 0 40 GJAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(c2nc3ccccc3o2)CC1 15832071 LYDOLFCJMZLRLZ-CQSZACIVSA-N 384.863 4.655 0 40 GJAB COc1ccc2c(c1)CCCN2C(=O)c1ccccc1SC[C@H]1CCCO1 21975811 CCFZMINRBXOBEW-GOSISDBHSA-N 383.513 4.559 0 40 GJAB Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 22514199 XIXUXERUMUJUJE-GOSISDBHSA-N 393.458 4.797 0 40 GJAB O=C(CSc1nnc2ccc(C(F)(F)F)cn12)c1ccc2ccccc2c1 24140925 AYSYRACFQIXGKC-UHFFFAOYSA-N 387.386 4.876 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 25159321 IWYMLQLFOSTFRV-HXUWFJFHSA-N 391.858 4.853 0 40 GJAB O=C(Nc1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1)NC1CC1 30039664 TZHIXQSRCTZXAK-UHFFFAOYSA-N 396.834 4.531 0 40 GJAB C[C@H](C(=O)Nc1ccc(SC2CCCC2)cc1)n1c(=O)oc2ccccc21 30182415 PMQBGGAZSVYBCB-CQSZACIVSA-N 382.485 4.829 0 40 GJAB O=C(CCSCc1cc(Cl)c2c(c1)OCO2)Nc1ccc(F)c(F)c1 32778816 AYEFFIUEFPURIX-UHFFFAOYSA-N 385.819 4.609 0 40 GJAB CC(C)Cc1nnc(NC(=O)c2cc3occc3n2Cc2ccccc2)s1 36359063 AWFAYKAMEKSREH-UHFFFAOYSA-N 380.473 4.585 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c(C)c1 36613839 WBCNLSSRPJFWQT-UHFFFAOYSA-N 391.402 4.907 0 40 GJAB CC1(C)CC(N(Cc2ccc3ncccc3c2)Cc2ccccn2)CC(C)(C)N1 36740494 IETOAALUHMDABT-UHFFFAOYSA-N 388.559 4.941 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C/c3ccsc3)c3ccccc3C2=O)cc1 37189599 FTAJXFXWWUKNOL-DEDYPNTBSA-N 375.449 4.874 0 40 GJAB CC(C)(C)c1ccc(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)cc1 41097322 RCNRTDZGQIKJHC-UHFFFAOYSA-N 381.451 4.536 0 40 GJAB Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2cccnc2)c(C)c1 49003585 TYEZGQFLFDPWGN-UHFFFAOYSA-N 397.482 4.815 0 40 GJAB O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccccc1-c1ccccc1 58225518 PDOWYEDRDSUMMH-UHFFFAOYSA-N 384.435 4.649 0 40 GJAB O=C(Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)c1ccc(OC(F)(F)F)cc1 58226805 GMWKZJXXLLVFHR-UHFFFAOYSA-N 388.349 4.500 0 40 GJAB CCCc1noc([C@@H](C)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)n1 59577768 TZECHWAKOYBUPZ-CQSZACIVSA-N 385.430 4.773 0 40 GJAB COc1ccc(-c2nc3cc(NC(=O)c4cccnc4Cl)ccc3o2)cc1 59724091 OBZASCZMIBCRLJ-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB Cc1ccc(F)c(NC(=S)Nc2ccc(I)cc2)c1 71325949 BAGQFIXOYJTIOC-UHFFFAOYSA-N 386.233 4.548 0 40 GJAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2ccccc2Br)C1 72406394 MRHDRFCVWHGGDR-ZDUSSCGKSA-N 388.290 4.879 0 40 GJAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)Nc1cccc2ccccc12 95450172 KULAVNZZDYVHLU-KRWDZBQOSA-N 383.492 4.751 0 40 GJAB CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NCc3ccccc3)c3ccccc3O2)C1 95455496 ZKZNSGBMOZTZPV-HYBUGGRVSA-N 394.515 4.680 0 40 GJAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3cc(C)cc(F)c3)n2)cc1 95962110 JAMMIXBXZVYSMM-ZDUSSCGKSA-N 397.475 4.707 0 40 GJAB O=C(Nc1ccccc1F)Nc1ccccc1Cc1nc(-c2ccncc2)no1 96102979 LUMWLHWJPZRSMH-UHFFFAOYSA-N 389.390 4.506 0 40 GJAB C[C@@H]1CCCN1C(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96155437 ZRVHQLIWAZNDAV-MRXNPFEDSA-N 388.446 4.556 0 40 GJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 100031970 ALQWNGCYQQTPAT-NDBXHCKUSA-N 393.486 4.925 0 40 GJAB Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)Nc2ccc(C)cc2C)c(C)c1 100519847 ULDQHPQNJAAZIP-DHNNRRLOSA-N 388.511 4.936 0 40 GJAB CCOc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 102571407 QVCNIWILIMHOHS-JTSKRJEESA-N 386.455 4.742 0 40 GJAB C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 222733776 TWBPONZOQAWAQP-AWEZNQCLSA-N 391.920 4.861 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 222930637 RXQXPIDPGBYSEP-SFTDATJTSA-N 394.519 4.640 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 223953641 JOSCDKNZWZCBQN-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 224175594 HPLPLHUUUZCDMP-UHFFFAOYSA-N 396.531 4.609 0 40 GJAB Cc1cc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc(C)c1Cl 224259610 SIOHWZUMMCLLIT-UHFFFAOYSA-N 389.923 4.828 0 40 GJAB CCCc1ccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 224332349 BUFVBNHSERIWFP-UHFFFAOYSA-N 394.559 4.680 0 40 GJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224426261 XDBLVMSNPCTNPE-LJQANCHMSA-N 383.532 4.872 0 40 GJAB CCOc1ccc(CNC(=S)Nc2ccc(OC)c(Cl)c2)cc1OCC 225528037 PTEIKVJAZQLJIU-UHFFFAOYSA-N 394.924 4.633 0 40 GJAB CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 409010338 JWSKHYOUOAQNIQ-VUFYJBQKSA-N 398.890 4.919 0 40 GJAB CN(C)[C@H](CNC(=O)Cc1c(F)cccc1Cl)c1csc2ccccc12 575622422 YQXKWDCDCSLGJL-GOSISDBHSA-N 390.911 4.655 0 40 GJAB Cc1cc(C(=O)N[C@H](C)c2cc(Cl)cc3c2OCC3)cc(C)c1OC(F)F 1538573332 FYPDUITYNNILBW-GFCCVEGCSA-N 395.833 4.984 0 40 GJAB Cc1ccc(S(=O)(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c(F)c1 1653505572 TYIVKEBJVSTARA-NRFANRHFSA-N 387.451 4.683 0 40 GJAB CCOc1cccc(NC(=O)c2ccc(Br)cc2Br)c1 642755 BTCJSYWDYDFSDJ-UHFFFAOYSA-N 399.082 4.863 0 40 GJAB CCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OC2CCCCC2)=C1C 707389 UEZLBNYNGDMRSS-SFHVURJKSA-N 376.884 4.576 0 40 GJAB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2c1cc(O)c1ccccc12 975695 JKUYTGGVFOWWMW-UHFFFAOYSA-N 375.424 4.983 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCC2 1514837 HNPMPWVEGFBTDU-UHFFFAOYSA-N 384.284 4.973 0 40 GJAB CCCCCn1c(O)c(C(=O)Nc2ccccc2Cl)c(=O)c2ccccc21 2066833 YQIJLIQEBMXGSF-UHFFFAOYSA-N 384.863 4.803 0 40 GJAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(Br)cc2)c2ccccc21 2197118 ZYMAGBKNMVMMJE-UHFFFAOYSA-N 392.318 4.840 0 40 GJAB CCc1ccc2nc(Nc3ncc4c(n3)C[C@H](c3ccco3)CC4=O)nc(C)c2c1 2372932 XPHPJHWJOCGFDG-HNNXBMFYSA-N 399.454 4.540 0 40 GJAB CCCSc1nc(N[C@@H](CC)CO)c2c3c(sc2n1)CO[C@](C)(CC)C3 2451180 QPGMAKRMYWTZCS-HXPMCKFVSA-N 395.594 4.618 0 40 GJAB O=S1(=O)c2cccc3cccc(c23)N1Cc1cc(Cl)ccc1OC(F)F 3293279 ANANBVKEGPRALK-UHFFFAOYSA-N 395.814 4.804 0 40 GJAB Cc1ccsc1C(=O)OCC(=O)Nc1c(Cl)cccc1C(F)(F)F 3365291 MSRGAGDPUPUFBA-UHFFFAOYSA-N 377.771 4.524 0 40 GJAB CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 4835586 PJQFIKPHZKHORV-UHFFFAOYSA-N 394.544 4.512 0 40 GJAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)[C@@H]1C 4934046 HHGPQTGILUJUHV-UMVBOHGHSA-N 393.603 4.696 0 40 GJAB COc1ccccc1-c1nnc(SC[C@H]2CCCCO2)n1-c1ccccc1 5736403 FDYJUAZPHVGSNZ-QGZVFWFLSA-N 381.501 4.604 0 40 GJAB COc1ccc(CNC(=O)CSC(c2ccccc2)c2ccccc2)cc1 6378041 OGPIJXMJVNYLBT-UHFFFAOYSA-N 377.509 4.834 0 40 GJAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)s1 6547911 LTESSSKZXLYJQT-UHFFFAOYSA-N 377.771 4.524 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)c(C)c1 6613328 PZEJNYSERUFTFI-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB CCOC(=O)C1=C(C)NC(SC(C)C)=N[C@H]1c1cccc(Cl)c1Cl 6843477 WVPQMYZXWTZCTI-HNNXBMFYSA-N 387.332 4.972 0 40 GJAB COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC 6882378 PIFQXIMZOFSTJE-HSZRJFAPSA-N 395.886 4.806 0 40 GJAB Cc1ccc(Nc2nc(N3C[C@@H](C)C[C@H](C)C3)nc3c2cnn3C)cc1Cl 6941306 CEZIMPXQMMGFGF-STQMWFEESA-N 384.915 4.551 0 40 GJAB O=C1CCc2cc(-c3csc(NC(=O)c4ccc(Cl)cc4)n3)ccc2N1 7036830 WSNXDKNRRKVGBS-UHFFFAOYSA-N 383.860 4.601 0 40 GJAB CCOc1ccc2oc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c(C)c2c1 7116601 ZMATWVQNAJPNOJ-UHFFFAOYSA-N 378.428 4.519 0 40 GJAB COc1cc(/C=C(\c2nc(C)cs2)c2nc3ccccc3n2C)cc(OC)c1 7136413 WHIJJBNCODLGMH-WQRHYEAKSA-N 391.496 4.944 0 40 GJAB O=C(/C=C/c1ccc2ccccc2n1)OCc1nnc(-c2ccc(Cl)cc2)o1 7984937 OVCLILRGGDEDLF-VAWYXSNFSA-N 391.814 4.695 0 40 GJAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(-c2cc3ccccc3o2)cc1 8230288 JYGGZNBYWWJABH-UHFFFAOYSA-N 385.345 4.954 0 40 GJAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 10357235 UOKWKVLLGIKPJR-UHFFFAOYSA-N 386.495 4.750 0 40 GJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1nc2ccccc2s1 11327740 LXYXGFVKLNMHLQ-UHFFFAOYSA-N 385.395 4.801 0 40 GJAB CC(=O)N[C@@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccc(C)cc1 12640320 ARTDDQSIPZGBQM-QHCPKHFHSA-N 387.483 4.945 0 40 GJAB CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 12978009 XYLIFYNSHDVAKR-RUDMXATFSA-N 380.778 4.552 0 40 GJAB CN(C(=O)COc1ccc(F)cc1)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835543 AFZNMIWQLZFBKP-JOCHJYFZSA-N 394.471 4.995 0 40 GJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccccc1Cl 15880209 FUUZCODQKLJANP-UHFFFAOYSA-N 383.904 4.607 0 40 GJAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)o1 15881419 OXLKDORUDPRKSV-UHFFFAOYSA-N 380.835 4.546 0 40 GJAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccccn3)no2)cc1OC 19561511 JGNCNXOWDSWWIT-FQEVSTJZSA-N 393.487 4.871 0 40 GJAB CCCn1nc(C)c(-c2cncn2CC2(c3ccc(C)cc3)CCOCC2)c1C 19654634 DJCMOAYFVKTFAD-UHFFFAOYSA-N 392.547 4.830 0 40 GJAB CCn1cc(C(=O)Nc2cc(Cl)ccc2Cl)c(=O)c2cc(OC)ccc21 22235782 UGUPNZLKPOAFME-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccc1C(=O)c1ccccc1)CC3 25546844 UVBMAFYDSKNFJT-UHFFFAOYSA-N 394.474 4.906 0 40 GJAB Cc1c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)oc2ccc(F)cc12 27999299 KCMQDVGUCWCLFY-UHFFFAOYSA-N 377.419 4.776 0 40 GJAB O=C(c1ccccc1Br)N(Cc1cccc(F)c1)c1ccccn1 28292531 WTGGXABFSBCZBP-UHFFFAOYSA-N 385.236 4.830 0 40 GJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1nc(-c2ccco2)sc1C 29982041 VTRMLPYLZVIDRG-UHFFFAOYSA-N 397.500 4.511 0 40 GJAB Cc1cc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)on1 32740710 DATKDLBHBBUWDM-INIZCTEOSA-N 379.847 4.680 0 40 GJAB COc1ccc(S[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)cc1 38771904 XJXFXYBSXMWHTJ-CQSZACIVSA-N 395.977 4.879 0 40 GJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(CN2CCCC2=O)c1 40104942 PICHITHCMNSHSR-HNNXBMFYSA-N 385.895 4.687 0 40 GJAB COc1ccc(-c2cn3cc(Br)cc(Br)c3n2)cc1 40383882 LJYWTZMFPSBXHB-UHFFFAOYSA-N 382.055 4.535 0 40 GJAB O=C(NCCSCc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 43976727 KPCBEKRGIWAEKQ-UHFFFAOYSA-N 395.484 4.587 0 40 GJAB CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1c(F)cccc1Cl 44840343 KYAROXWTEJYTEY-AWEZNQCLSA-N 395.927 4.858 0 40 GJAB O=C(Nc1nnc(-c2ccsc2)s1)c1ccc(COCC(F)(F)F)cc1 58394199 HOGGJTADPMMOCI-UHFFFAOYSA-N 399.419 4.598 0 40 GJAB Cc1ccc(C(=O)NCc2ccco2)cc1NC(=O)Cc1cccc2ccccc12 68732626 PEJRMOMLAWBZJA-UHFFFAOYSA-N 398.462 4.852 0 40 GJAB Cc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc(Br)cc3)C2)o1 79046920 DDYGFUWMKHUEMR-MRXNPFEDSA-N 399.244 4.935 0 40 GJAB CCc1ccc2c(CSc3nnc(C)n3-c3ccccc3)cc(=O)oc2c1 89289511 ZDLZSXIXYBJXDA-UHFFFAOYSA-N 377.469 4.537 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@@H](C)C2 101835888 WQQWVBYKBCAENQ-ORIJERBGSA-N 375.534 4.813 0 40 GJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)c2C(N)=O)C1 102624445 NEEWECOJLDTDDK-RZLSGREXSA-N 388.577 4.763 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccc(Cl)cc2)cc1 219609957 YZABRCABSGFKGP-FQEVSTJZSA-N 375.896 4.645 0 40 GJAB CC(C)Sc1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219659113 JZWRJDXPKZAUFN-UHFFFAOYSA-N 387.892 4.821 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COC(C)C)c2)cc1 224431393 OUAJLZQTNKUBRY-UHFFFAOYSA-N 399.487 4.829 0 40 GJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)c1 224521648 JTXUMECSRIAKSU-LEWJYISDSA-N 392.528 4.650 0 40 GJAB CCOc1ccccc1CNC(=S)Nc1ccc(Br)c(Cl)c1 225442499 NUWHLODCFOESQO-UHFFFAOYSA-N 399.741 4.988 0 40 GJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225734431 KRMSHDBOGBUAPW-HSZRJFAPSA-N 390.568 4.721 0 40 GJAB Cc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)oc12 226035206 APOTUZQKZJWALT-UHFFFAOYSA-N 383.447 4.944 0 40 GJAB Cc1cc(C)cc(NC(=O)c2ccccc2OCC(=O)c2ccc(F)cc2)c1 226794617 UVTWTPZFQFEDDI-UHFFFAOYSA-N 377.415 4.957 0 40 GJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(Cl)cc1 408714651 UECJUYBGYOBNSA-UHFFFAOYSA-N 383.879 4.960 0 40 GJAB CCOC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 408751154 XCCSAJLWPABUTK-UHFFFAOYSA-N 386.498 4.512 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2ccc(CNc3cc(C)ccc3C)cc2)cc1 409113757 FJEWDNYNJDUXNF-UHFFFAOYSA-N 381.497 4.992 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)c1 409158307 XEKHBOHXKNVNRJ-UHFFFAOYSA-N 397.500 4.811 0 40 GJAB CC(C)COC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 938345 LLMLTRNBEIXFLT-UHFFFAOYSA-N 376.478 4.789 0 40 GJAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CCCCC2)cc(OC)c1OC 1440308 LWFDGVGKVPTLCJ-JOCHJYFZSA-N 396.487 4.612 0 40 GJAB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)c(Cl)c1 2652055 OUGLVAQZEBYAEM-UHFFFAOYSA-N 389.933 4.873 0 40 GJAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc(SC)cc2OC)cc1 3292422 KPEURJRJZFGWTN-CQSZACIVSA-N 387.501 4.726 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)c1 3895807 YOEKTOUTDVYOGE-QFIPXVFZSA-N 378.516 4.550 0 40 GJAB CCOc1cc([C@H]2N=C(O)c3ccccc3N2)ccc1OC(=O)c1ccccc1 4108243 DDDDQDBNXNEYOM-OAQYLSRUSA-N 388.423 4.733 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)c(C)c1 4392178 NOSTVLUBMXEYBQ-UHFFFAOYSA-N 398.557 4.873 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc(Cl)cc2)c1 4585438 UVBHAFDPKCTKNK-UHFFFAOYSA-N 389.842 4.600 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1 4681886 FGVCENMXZYWVBI-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB COc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccnc3)C[C@H]21 4715756 DKJCJNAFDPVDRB-DENIHFKCSA-N 393.393 4.611 0 40 GJAB O=C(Nc1sc(NC(=O)c2ccco2)nc1-c1cccs1)c1ccccc1 4996787 RLFTYJMZZHWBJR-UHFFFAOYSA-N 395.465 4.969 0 40 GJAB C/C(=C\C(=O)Nc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 5183589 ZMITVRXMIUJRNN-CCEZHUSRSA-N 390.314 4.658 0 40 GJAB COc1ccc(N2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)cc1 5324838 DTKAVLYDTQNNLB-UHFFFAOYSA-N 386.451 4.639 0 40 GJAB O=C(OCc1c(Cl)cccc1Cl)C(O)(c1ccccc1)c1ccccc1 6053854 YUPAYHSUWYRDMC-UHFFFAOYSA-N 387.262 4.973 0 40 GJAB Cc1ccccc1OCCCn1c(CNC(=O)c2ccccc2)nc2ccccc21 6753128 ZGUZBQSEKQJFMP-UHFFFAOYSA-N 399.494 4.744 0 40 GJAB COc1cccc(C(=O)Oc2cc(-c3ccc(F)cc3)c3oc(=O)sc3c2)c1 6809692 SJKDZDPPOIOXEV-UHFFFAOYSA-N 396.395 4.888 0 40 GJAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCCc4ccccc43)c2Cl)cc1 7778730 MTKAGDGEOFPQRY-UHFFFAOYSA-N 379.891 4.795 0 40 GJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cc(=O)c2ccccc2o1 7988441 NTPLCMHWOAWESI-UHFFFAOYSA-N 393.826 4.979 0 40 GJAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 8036293 KLBBAKQMLQNNHA-LJQANCHMSA-N 380.469 4.620 0 40 GJAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1ccc2ccccc2c1 8285297 JAWCJFIKLILZCZ-UHFFFAOYSA-N 398.915 4.682 0 40 GJAB CN1C(=O)c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2Oc2ccccc21 9134436 ALFWTMWYCNGQHT-UHFFFAOYSA-N 392.842 4.904 0 40 GJAB CCN(CC)CCN(C(=O)C1CCCCC1)c1nc2ccc(OC)cc2s1 9604228 ZEFDHGNCOWBOCK-UHFFFAOYSA-N 389.565 4.560 0 40 GJAB COc1cccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCCC3)n2)c1 10213526 IFSYCGLMPYKIIQ-UHFFFAOYSA-N 396.882 4.621 0 40 GJAB CCc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N3CCCC3)n2)cc1 10213623 QBQBEGZBMSJKNZ-UHFFFAOYSA-N 390.491 4.530 0 40 GJAB CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 10368233 OMUVPMXZBIXZST-UHFFFAOYSA-N 378.516 4.791 0 40 GJAB COc1ccccc1NC(=O)c1sc(=S)n(-c2ccc(Cl)cc2)c1N 12415446 FZZCMEQZWIEOBA-UHFFFAOYSA-N 391.905 4.765 0 40 GJAB CCN1C[C@@H](c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)CC1=O 12539649 OOBYKKLRXVWYRI-IBGZPJMESA-N 375.516 4.654 0 40 GJAB CCc1ccc([C@@H](NC(=O)Cc2ccc(OC)cc2)c2cccc(F)c2)cc1 12692855 RNHHYCBFSLUGSO-XMMPIXPASA-N 377.459 4.845 0 40 GJAB COc1ccccc1CNC(=O)C1(c2cccc(Br)c2)CCCC1 12793939 OKBNDGURHIFJTN-UHFFFAOYSA-N 388.305 4.586 0 40 GJAB O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1Cc1ccccc1OC(F)F 12878069 PWNQIPABHLZLRF-UHFFFAOYSA-N 396.315 4.579 0 40 GJAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 13708406 FOHWIQUQGYRRQO-SFHVURJKSA-N 379.525 4.965 0 40 GJAB O=c1oc2ccc(Cl)cc2cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1 15830798 YJKMGPOQANFULU-UHFFFAOYSA-N 389.643 4.586 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1OCC 20106923 RYHQIINZEBRWKB-MSOLQXFVSA-N 385.504 4.746 0 40 GJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 20138852 CTPMRSFJJCJJNX-UHFFFAOYSA-N 381.815 4.966 0 40 GJAB CCOc1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1OCC 20456450 OVESDHOSXWRNAE-UHFFFAOYSA-N 392.293 4.818 0 40 GJAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 22021228 VAGRTUIVGYUKOC-UHFFFAOYSA-N 396.443 4.939 0 40 GJAB CCc1nc2ccc(C(=O)Nc3cc(OC)c(OC)cc3Cl)cc2nc1CC 23054185 BNOFNIRXSWMZRV-UHFFFAOYSA-N 399.878 4.678 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1cccc(Cl)c1 30869447 SVJKZMCPJUMJPY-LJQANCHMSA-N 375.896 4.645 0 40 GJAB COc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 35291777 XRCLXNPLHMGVPO-UHFFFAOYSA-N 384.867 4.636 0 40 GJAB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S 35648777 BKCVHGHFSNVAFN-ARJYKRKESA-N 377.531 4.511 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(COc3ccccc3)o2)cc1C 40049325 QOXXIIKKYQZCLB-KRWDZBQOSA-N 393.439 4.659 0 40 GJAB Cc1nc(C)c(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)s1 49029340 QACRYRHZSOVWPS-UHFFFAOYSA-N 390.877 4.930 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1S[C@H](C)C(=O)OC 58198218 OLUHXYWHQKDLCB-GFCCVEGCSA-N 397.949 4.717 0 40 GJAB C[C@@H](OC(=O)c1ccccc1C(=O)c1cccs1)c1nc2ccccc2[nH]1 64364559 ZCFCRNYHLHMJGX-CYBMUJFWSA-N 376.437 4.773 0 40 GJAB O=C(CCc1nc2ccccc2s1)NCCc1c[nH]c2ccc(Cl)cc12 71281278 ULXPYPWDZVEPTK-UHFFFAOYSA-N 383.904 4.723 0 40 GJAB Cc1ccccc1-c1cncc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 72359456 DTXCHPYBBXDOFD-UHFFFAOYSA-N 385.511 4.791 0 40 GJAB COc1c(C)cnc(Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)c1C 95960417 CRHITIHLMHNLGU-UHFFFAOYSA-N 377.275 4.629 0 40 GJAB Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1 100424614 WODDXVNEXAQTBY-NHCUHLMSSA-N 383.536 4.698 0 40 GJAB CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O 104847718 RKFLTEIFFLLOTG-LJQANCHMSA-N 399.487 4.583 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219378436 MRLWFBCDFXANOO-VQTJNVASSA-N 397.515 4.888 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(Br)cc2F)cc1 222885840 BLWIXASCVMUAKW-QGZVFWFLSA-N 380.257 4.947 0 40 GJAB CCCSc1nnc(NC(=O)CSCc2ccc(Cl)cc2F)s1 223667007 JUTRWTNBYVQFQL-UHFFFAOYSA-N 391.946 4.705 0 40 GJAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1Cl 224150066 BNPOTZVLCIAIOX-OAHLLOKOSA-N 396.314 4.881 0 40 GJAB O=C(c1cccc2ccccc12)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225730522 TWDMGSLTJZQKAQ-MRXNPFEDSA-N 386.373 4.547 0 40 GJAB Cc1ncc(CN2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)s1 257255210 KGOCWIRHPYRWEC-NRFANRHFSA-N 399.947 4.664 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSCC(=O)Nc1cccc(Cl)c1C 408603042 PUFMFKFIEAXOMU-UHFFFAOYSA-N 397.327 4.921 0 40 GJAB CCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2cc(C)ccc21 408713383 VWZSQAROLNLQPT-UHFFFAOYSA-N 375.255 4.889 0 40 GJAB O=C(c1ccnn1CCc1ccccc1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 623016603 CMNRGFILNSEGET-OAQYLSRUSA-N 398.510 4.627 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cccc(Cn3nc(C)c(Cl)c3C)c2)cc1 1069205 BLYCTYPCLNEXMD-UHFFFAOYSA-N 381.863 4.657 0 40 GJAB N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2cccc(Cl)c2)o1 1270189 ZVOXSCAWCUJBEC-INIZCTEOSA-N 384.892 4.739 0 40 GJAB Cc1cccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)cc4)c3C2=O)c1 1405630 CSYFDBYZFDJIRB-UHFFFAOYSA-N 392.455 4.930 0 40 GJAB COc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)cc1 2224765 APCNLSLBYBCJJU-UHFFFAOYSA-N 388.496 4.939 0 40 GJAB Cc1cc(C)c(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1C 2631402 XXMLHIQFMLDUDB-UHFFFAOYSA-N 380.300 4.936 0 40 GJAB CCc1cccc(CC)c1NC(=O)COC(=O)Cc1cccc2ccccc12 3216979 BMYOFSZPRZXYII-UHFFFAOYSA-N 375.468 4.689 0 40 GJAB CCCOc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C 4000152 LDOBIWVBSLCENL-DKOVKCOZSA-N 390.527 4.811 0 40 GJAB biogenic CC(C)n1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033468 UUYVHKAYDMPSMS-AWEZNQCLSA-N 398.304 4.900 0 40 GJAB COc1ccccc1Nc1nc(Nc2ccc(C)c(C)c2)nc(C)c1[N+](=O)[O-] 4359202 PNXTWSYTYHYUSV-UHFFFAOYSA-N 379.420 4.806 0 40 GJAB CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 4540016 KYWPVRJDZZFALK-QFIPXVFZSA-N 387.435 4.792 0 40 GJAB COc1cc2c(cc1OC)C(/C=C1\NC(C)(C)Cc3ccccc31)=NC(C)(C)C2 4601807 XEOOAHFHKGDOSH-MOSHPQCFSA-N 390.527 4.793 0 40 GJAB CCc1c(C)sc2nc(C)nc(SCC(=O)Nc3cccc(C(C)=O)c3)c12 4888827 SCPUCRKQGPUBRO-UHFFFAOYSA-N 399.541 4.804 0 40 GJAB CCCCN1C(=O)c2cccc3c(NC(=O)Cc4ccc(F)cc4)ccc1c23 5268393 AZHZWSFETLARFS-UHFFFAOYSA-N 376.431 4.920 0 40 GJAB CC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 5561773 HRQYNXXZLDJEDS-ROUUACIJSA-N 395.894 4.672 0 40 GJAB O=C(c1ccc(Cl)cc1)c1sc(N2CCOCC2)nc1-c1ccccc1 5604459 GOULPRZWJPNJJU-UHFFFAOYSA-N 384.888 4.531 0 40 GJAB O=C(Cc1ccc(Cl)cc1)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5612954 NVFIIHBSGYZKAT-NRFANRHFSA-N 397.833 4.945 0 40 GJAB Cc1ccccc1OCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 5669063 WLUIWLPQESOHOZ-SFHVURJKSA-N 389.451 4.611 0 40 GJAB O=C(Oc1ccccc1-c1nc2ccccc2c(=O)o1)c1ccccc1Cl 5948673 VZHBMSKRBGIATD-UHFFFAOYSA-N 377.783 4.728 0 40 GJAB C[C@@H]1Sc2nnc(-c3ccc(Cl)cc3)n2N=C1c1ccc(Cl)cc1 6416552 SCATUTLNTCRTTF-JTQLQIEISA-N 375.284 4.999 0 40 GJAB O=C(Oc1ccc(C2SCCS2)cc1)c1ccc(N2CCCC2=O)cc1 7066750 DXJMQTMWXKYBJA-UHFFFAOYSA-N 385.510 4.511 0 40 GJAB Cc1noc(C)c1CSCC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 7738465 WKGZFKDYHYKCQG-UHFFFAOYSA-N 398.513 4.540 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 7777286 NNLHMCLXOKCZSY-INIZCTEOSA-N 391.496 4.532 0 40 GJAB O=C(COc1ccc(F)cc1Cl)N[C@H](c1ccc(F)cc1)c1cccs1 8070182 MBHUYXPUFMYUSL-LJQANCHMSA-N 393.842 4.964 0 40 GJAB C[C@H]1CCc2ccccc2N1C(=O)Cn1c(-c2cscn2)nc2ccccc21 9336585 YWAFOPQUDBNEBZ-HNNXBMFYSA-N 388.496 4.528 0 40 GJAB Cc1ccc(/C=C/C(=O)OCc2nnc(-c3ccc(Br)cc3)o2)cc1 11179058 DMXVVYAIKTZQMA-IZZDOVSWSA-N 399.244 4.564 0 40 GJAB Cc1noc(C)c1C(=O)Nc1ccc(CC[C@@H]2CCN(C(C)C)C[C@@H]2C)cc1 12131773 QOUXTAVDFMTSHT-OXJNMPFZSA-N 383.536 4.843 0 40 GJAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 12881635 MJYUAUYUCJRWPZ-MRXNPFEDSA-N 386.300 4.528 0 40 GJAB Cc1cccc(OCCCN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1 12921702 QVRWTDFKWJPHMF-XMMPIXPASA-N 394.515 4.529 0 40 GJAB COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3)c2Cl)cc1OC 13640842 MCUBBBFTWPSIEM-UHFFFAOYSA-N 375.808 4.696 0 40 GJAB COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1 13712230 ATUTWPPPTFUHHO-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2cccc(F)c2)c(OC)c1 13786349 FAACTDGNFHHGQS-QPTUXGOLSA-N 399.506 4.711 0 40 GJAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1 14404431 KTDZKVQFJGRYOC-UHFFFAOYSA-N 384.439 4.684 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14665361 OTCQRLGALRFYMJ-MRXNPFEDSA-N 396.531 4.918 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c(Br)c1 14737509 NDIWTOYWPAACKZ-UHFFFAOYSA-N 395.256 4.510 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 15832085 OSLCNSLBIUZCCE-IBGZPJMESA-N 382.435 4.531 0 40 GJAB Cc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)CC3 15841973 KCWLVJQGOWCAMN-UHFFFAOYSA-N 380.513 4.592 0 40 GJAB COc1cc(NC(=O)c2c3c(nc4ccccc24)CCC3)c(OC)cc1Cl 15970693 BMKCZQRVVGSKRZ-UHFFFAOYSA-N 382.847 4.646 0 40 GJAB Cc1cc(C)c(N/C=C2/C(=O)N(c3nccs3)C(=O)c3ccccc32)c(C)c1 18023271 MHOFLXWPJPDDPS-LDADJPATSA-N 389.480 4.708 0 40 GJAB aggregator CC(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)ncc2-c2ccncc2)CC1 19016799 GOQQBFXQSBNPCU-UHFFFAOYSA-N 392.890 4.585 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@@H]4CCCC[C@H]4C3)n2)cc1 22409317 YMAGGINJSWLMBN-ICSRJNTNSA-N 381.520 4.831 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1csc(-c2ccsc2)n1 23174933 LHTUEEWUCYCKCM-ZDUSSCGKSA-N 399.541 4.581 0 40 GJAB Cc1ccc(C)c(NC(=O)CSCC(=O)Nc2ccc(C)c(Cl)c2)c1 28183523 WJRJJEVGYZNHSI-UHFFFAOYSA-N 376.909 4.576 0 40 GJAB Cc1ccc(OCc2nnc(SCc3csc(-c4ccccn4)n3)o2)cc1 31621024 QBGFMGIKVIMYPW-UHFFFAOYSA-N 396.497 4.768 0 40 GJAB CCCCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)ccc4c3C)cc21 32593472 AIFUOSOREFXTJH-UHFFFAOYSA-N 392.455 4.827 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1cc2ccccc2s1)c1ccc(Cl)cc1 32772771 PHCOUHXEZHAVEJ-GOSISDBHSA-N 381.888 4.808 0 40 GJAB COc1cc([C@H](C)NC(=O)Nc2ccn(-c3ccccc3)n2)ccc1OC(C)C 36396003 MEJRLSRLFJFQDU-INIZCTEOSA-N 394.475 4.551 0 40 GJAB Cc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40396936 GJOMBTFBYPMELW-LIRRHRJNSA-N 390.462 4.910 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(C(F)(F)F)cc1 51364541 ZVYJKFVVOUADHC-KRWDZBQOSA-N 398.384 4.864 0 40 GJAB Cc1ncc(CN(C)[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)s1 53153852 SEKCYEUWYKSQDB-OAHLLOKOSA-N 381.501 4.703 0 40 GJAB Cc1oc(-c2ccccc2Cl)nc1CN(C)Cc1ccc2nsnc2c1 55091157 SOMQCSVBNXNERX-UHFFFAOYSA-N 384.892 4.940 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1 58438983 ULCYXSYAEGWPEO-MSOLQXFVSA-N 391.487 4.612 0 40 GJAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1F 67295497 MJJYMXBHFJUJON-DAFNUICNSA-N 396.805 4.981 0 40 GJAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](c1ccc(F)c(F)c1)CC(O)=N2 71279899 AIRNTNDLMZPUKR-CQSZACIVSA-N 375.419 4.864 0 40 GJAB Clc1ccccc1CN1CCC[C@@H](c2cccc(Nc3ncccn3)n2)C1 72375922 VSRDUJNTFRGVDR-QGZVFWFLSA-N 379.895 4.648 0 40 GJAB O=C(c1ccsc1)N1CCCN([C@H]2CCc3c(Cl)cc(Cl)cc32)CC1 89885426 SFCYXPJWXOEQHG-SFHVURJKSA-N 395.355 4.890 0 40 GJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccc(O)c(Cl)c2)SC1 95473671 DTNCYVVUGMTJDM-SFHVURJKSA-N 385.876 4.715 0 40 GJAB C[C@@](O)(CNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1cccs1 96012436 ALXGQEZZDRYRBJ-GOSISDBHSA-N 393.917 4.783 0 40 GJAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2CN(Cl)C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100367379 ZXLHRZRTZBQUAS-JBTHVSLGSA-N 379.972 4.725 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 222975672 DYXLANIWFDYLBP-LEWJYISDSA-N 394.519 4.784 0 40 GJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1)c1ccc(OC)c(OC)c1 223001452 BHBWWPUFJJLDTJ-VQTJNVASSA-N 385.504 4.746 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(OC)c1OC 223403122 RSGLSFUREQXIOU-QXLXQBSBSA-N 383.488 4.528 0 40 GJAB CN(c1ccccc1Br)S(=O)(=O)c1cc(Cl)ccc1Cl 224931980 CNADVLYFJJFQMW-UHFFFAOYSA-N 395.105 4.581 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)Cc2cccc(Br)c2)cc1 225620587 OGKPNFIUOMNMDU-UHFFFAOYSA-N 390.321 4.528 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1 225640892 IEQWTJDVFMKQNR-AWEZNQCLSA-N 393.350 4.820 0 40 GJAB C[C@@H](O)c1ccc(C2(CNC(=O)c3c(F)cccc3Cl)CCCC2)s1 225681340 UDVKYEGEZHYKAV-GFCCVEGCSA-N 381.900 4.836 0 40 GJAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)c3c(F)cccc3F)CC2)c1 257206662 BELAGBLRBHXZPA-UHFFFAOYSA-N 397.425 4.651 0 40 GJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260818230 YFWBUUGCLCQBOF-WMZHIEFXSA-N 390.568 4.721 0 40 GJAB CC(=O)Nc1ccccc1SCc1nc(O)c2c3c(sc2n1)CCCC3 408581013 GBDZPBBYNDQCPJ-UHFFFAOYSA-N 385.514 4.526 0 40 GJAB CCCCOc1ccccc1C(=O)OCC(=O)c1ccc(Br)cc1 408586525 NMVDXMCOMPARNZ-UHFFFAOYSA-N 391.261 4.668 0 40 GJAB CC(C)N1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O 409018302 UAHHRBVTBOEDIF-XNTDXEJSSA-N 391.290 4.685 0 40 GJAB CCCCC(=O)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262901 OPCGUQZHNGYWCE-INIZCTEOSA-N 396.922 4.946 0 40 GJAB C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1C[C@H](C(=O)O)C1(C)C 685944986 MRZHIJMZPDBNIT-SZFUDVHCSA-N 393.483 4.661 0 40 GJAB Cc1ccc(C)c(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)c1 1615158359 MHJYPIYQIDVJHI-GCJKJVERSA-N 380.507 4.962 0 40 GJAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)cc1F 1615160017 WPSUBNKNOZVKCQ-UTKZUKDTSA-N 384.470 4.793 0 40 GJAB Cn1cc(-c2ccc(CCNC(=O)Nc3ccccc3C(F)(F)F)s2)cn1 1889228953 KMDWHEDWIWQXBF-UHFFFAOYSA-N 394.422 4.532 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1 1329685 GTKKOUZNDPHEQL-HUUCEWRRSA-N 380.517 4.507 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 1357272 XYPYXVUWGXUVAG-UHFFFAOYSA-N 375.453 4.850 0 40 GJAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)Nc1ccc(Cl)cc1 2344450 BTNTZHRDSNZWOB-UHFFFAOYSA-N 387.823 4.651 0 40 GJAB O=S(=O)(Nc1ccc(SC(F)F)cc1)c1ccccc1C(F)(F)F 3329103 YXPYJWURRMQSQW-UHFFFAOYSA-N 383.363 4.821 0 40 GJAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc2c(c1)CCC2 3406560 YEMFSGODYFPEBF-UHFFFAOYSA-N 382.514 4.501 0 40 GJAB COc1ccc(-c2nc(NC(=O)Cc3c[nH]c4ccccc34)sc2C)cc1 3450461 DCKPKBXFOSZIKX-UHFFFAOYSA-N 377.469 4.790 0 40 GJAB C[C@@H](Sc1nnc(-c2ccncc2)n1C)C(=O)c1ccc(C(C)(C)C)cc1 3521881 VEYDIQHMTVOMFQ-CQSZACIVSA-N 380.517 4.538 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(I)c1 3592080 IXCQZSPVYOEGBR-UHFFFAOYSA-N 379.241 4.975 0 40 GJAB CCCCN(CCCC)c1nc(Cl)nc(Nc2ccc(OC)cc2OC)n1 3664487 NPDLISSTGBYEOM-UHFFFAOYSA-N 393.919 4.692 0 40 GJAB CCCn1c([C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 4033581 AGRUSDRIGLFLDO-CQSZACIVSA-N 383.879 4.629 0 40 GJAB COc1ccccc1N1C(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C1=O 4704058 OPDXCCCTYGQEJT-UHFFFAOYSA-N 387.479 4.964 0 40 GJAB Cc1cc2nc3n(c2cc1C)[C@@]1(Nc2ccccc2-3)C(=O)Nc2ccc(F)cc21 4708063 QCMRCYKEEPYMLX-HSZRJFAPSA-N 384.414 4.538 0 40 GJAB CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1ccoc1C 5365016 RLMAOHDZPHMEBF-UHFFFAOYSA-N 384.505 4.595 0 40 GJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(F)c(F)c3)sc2c1 5718853 YCBKWJZTVFNUMR-UHFFFAOYSA-N 380.441 4.704 0 40 GJAB O=Cc1cn(CC(=O)Nc2cccc(Cl)c2)c2ccc(Br)cc12 6257485 YJSGOCDXSCRHME-UHFFFAOYSA-N 391.652 4.508 0 40 GJAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1Br 6440937 UJRRKRWWCXOPKI-UHFFFAOYSA-N 390.258 4.703 0 40 GJAB COc1ccc(C)cc1NC(=O)c1ccccc1OCCOc1ccccc1 6790516 CKYGGBCWEGPHNS-UHFFFAOYSA-N 377.440 4.714 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c1 6970927 FJCUHBILLSUDTD-UHFFFAOYSA-N 387.439 4.579 0 40 GJAB CCOc1ccc(CCNC(=O)Cc2cccc3ccccc23)cc1OCC 7670989 SAEWFAWLAIDXHI-UHFFFAOYSA-N 377.484 4.539 0 40 GJAB O=C(Oc1ccccc1-c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 7929431 SLRIEQLFEMZJQC-QGZVFWFLSA-N 391.854 4.966 0 40 GJAB CN1C(=O)Cc2cc(-c3csc(-c4cccc(Br)c4)n3)ccc21 8297089 OBIFMQRGGZVENK-UHFFFAOYSA-N 385.286 4.759 0 40 GJAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 10331946 WAMNGPFFOKKXDI-UHFFFAOYSA-N 378.516 4.883 0 40 GJAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1ccc(Cl)cc1Cl 11430205 YJTFCULIHWTRBN-UHFFFAOYSA-N 375.255 4.897 0 40 GJAB CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2cc1OCc1ccccc1 11867289 GSRPHGJOWQFYIC-UHFFFAOYSA-N 392.480 4.949 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1C 11913984 RDDWQHVHBGKBIL-MRXNPFEDSA-N 395.459 4.547 0 40 GJAB C[C@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(F)cc1F 12560002 KRDBLBWGGMLFKL-ZDUSSCGKSA-N 397.450 4.761 0 40 GJAB CCOc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 12803803 FKOUDMPWCVFUNR-FQEVSTJZSA-N 379.456 4.543 0 40 GJAB CC(C)(C)c1ccc(CSCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 12852428 BFXQTARPOYYXBO-UHFFFAOYSA-N 384.545 4.664 0 40 GJAB CCOc1nn(CC)cc1-c1nnc(SCc2ccccc2Cl)n1CC 12874628 HMVPVTMNRBGRBH-UHFFFAOYSA-N 391.928 4.526 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3ccco3)sc2C)cc1OC(F)F 13005823 JCBFKZDGIHSOKP-UHFFFAOYSA-N 380.372 4.574 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 13669883 FVSXMYMAJMGPTI-QGZVFWFLSA-N 389.923 4.872 0 40 GJAB O=C(C[C@](O)(c1ccco1)C(F)(F)F)Nc1ccccc1Oc1ccccc1 14113894 FMPACJFJIWBGMD-IBGZPJMESA-N 391.345 4.851 0 40 GJAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccccc1C(F)(F)F 15640939 ZZODWHLBLRSRDW-UHFFFAOYSA-N 379.769 4.856 0 40 GJAB Cc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc23)cc1 17042083 PBHATLBLXWKTSK-SFHVURJKSA-N 389.499 4.797 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1cccc(OC)c1 20041999 HBXYVSAOKDUOCZ-JOCHJYFZSA-N 377.484 4.755 0 40 GJAB COc1ccccc1C(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 20610491 MCLOPBQAFGNAGL-UHFFFAOYSA-N 386.455 4.805 0 40 GJAB Cc1noc(C)c1CSCC(=O)Nc1nc2c(ccc3ccccc32)s1 21272770 NJFXHTOGVRGFRW-UHFFFAOYSA-N 383.498 4.926 0 40 GJAB O=C(Cc1c(F)cccc1Cl)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 24828365 GGZPJRAQIMVUEF-JOCHJYFZSA-N 393.849 4.804 0 40 GJAB CCCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OCC)c(C)c2)c1 27741008 WGVVOVKYHBMJAJ-UHFFFAOYSA-N 395.459 4.875 0 40 GJAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(F)cc3)s2)c1C 32718954 XUDOFFIEYWIRRF-UHFFFAOYSA-N 396.487 4.882 0 40 GJAB Cc1cccc(CC(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)c1 35682937 TWISGVFOVAJQCP-UHFFFAOYSA-N 388.496 4.794 0 40 GJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc1O 36358217 UGEGOIWZIDMGLU-LBPRGKRZSA-N 387.798 4.503 0 40 GJAB CN(C)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 36470937 PDCOABIEOSKQSK-UHFFFAOYSA-N 378.859 4.889 0 40 GJAB CCCCC1CCC(C(=O)Nc2nn3c(-c4ccccc4)nnc3s2)CC1 41076424 XQCDPBFZBIPJTG-UHFFFAOYSA-N 383.521 4.788 0 40 GJAB CC(=O)c1c(C)cc(C)c(CNc2ccc(C(=O)NC3CC3)c(Cl)c2)c1C 55873149 WQHYZUBNFWTQNI-UHFFFAOYSA-N 384.907 4.972 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CC(=O)Nc4ccccc43)c3ccccc3n2)cc1 57390732 CSSXAOQJSPBCSA-UHFFFAOYSA-N 393.446 4.809 0 40 GJAB O=C(Nc1ccccc1Br)c1cc(-c2ccccc2Cl)[nH]n1 57412309 BQPOUNSJVGPVRK-UHFFFAOYSA-N 376.641 4.745 0 40 GJAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccn2)cc1 67259349 YNLMZFYAOPYEKG-UHFFFAOYSA-N 385.492 4.775 0 40 GJAB CCOc1cc(C(=O)NCc2ccc(F)cc2Cl)cc(OCC)c1OCC 72331506 WAZQFNWPZQJCNI-UHFFFAOYSA-N 395.858 4.605 0 40 GJAB O=C(c1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72358465 MDFPMAGPWUUKBT-SFHVURJKSA-N 377.875 4.817 0 40 GJAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC2(CCCCCC2)C1 79025119 RPUMKAZAULONKY-UHFFFAOYSA-N 381.520 4.617 0 40 GJAB O=C(Nc1ccccc1OC(F)(F)F)N1CCC([C@@H](O)c2ccccc2)CC1 89826096 DEBMEJCBEKGVFW-SFHVURJKSA-N 394.393 4.563 0 40 GJAB O=C(NCCCc1ccccc1)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 90613865 PUIAMJRRSGMMBU-IBGZPJMESA-N 393.314 4.709 0 40 GJAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](c1cccc(O)c1)SCC(O)=N2 95476244 VAAZGZCKLZSIDI-SFHVURJKSA-N 387.505 4.592 0 40 GJAB CC(C)n1cccc1C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 95978266 GOPFBDAHECYEGO-UHFFFAOYSA-N 391.500 4.845 0 40 GJAB COc1ccc(C(C)(C)C)cc1CN1C[C@H]2CCC[C@H](C1)C2(O)c1cccnc1 100148570 JOCSVJSQUWGLAR-FGZHOGPDSA-N 394.559 4.507 0 40 GJAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCS[C@H](c2cccs2)CC1 219464557 GHXAIZBXBLDWEL-SFHVURJKSA-N 387.505 4.598 0 40 GJAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccc(Cl)cc3)cn2)C1 223930622 VKVGNJZXMLBVOJ-HUUCEWRRSA-N 388.968 4.704 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224929663 ZABRARSQSDAYQI-AWEZNQCLSA-N 380.444 4.554 0 40 GJAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 225152127 NXCCLYLUOPNCLN-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB Cc1ccc(-c2noc(CNC(=O)CCc3ccc(Cl)c(Cl)c3)n2)cc1 225340173 OTNXBBDFLBBIJQ-UHFFFAOYSA-N 390.270 4.601 0 40 GJAB Cc1ccc2c(c1)OC1(CCN(C(=O)Nc3cccc(Cl)c3)CC1)CC2=O 225816662 FAIVPHMVKFQEJS-UHFFFAOYSA-N 384.863 4.680 0 40 GJAB CC1(C)Cc2cccc(OCC(=O)N[C@H](c3ccsc3)c3cccs3)c2O1 390826335 IIXSRRPKOZXUEP-LJQANCHMSA-N 399.537 4.808 0 40 GJAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 408628194 QOFKKVYSGNBZLZ-MRXNPFEDSA-N 397.544 4.509 0 40 GJAB CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 408654620 GFVGWFOIPIAYFC-ZDUSSCGKSA-N 378.255 4.514 0 40 GJAB CC(C)Oc1ccc(-c2ccc(NC(=O)N[C@@H](C)c3nccn3C)c(F)c2)cc1 823519864 PORLOWZHZHWYFM-HNNXBMFYSA-N 396.466 4.896 0 40 GJAB Cc1cc(OC(=O)c2cc3cc(Br)ccc3oc2=O)ccc1Cl 944962 PNWKPRFYGVXPOU-UHFFFAOYSA-N 393.620 4.737 0 40 GJAB Cc1ccccc1CCNc1c2c(nc3cc(-c4ccc(F)cc4)nn13)CCC2 1340923 FBRDPNLSNRHITO-UHFFFAOYSA-N 386.474 4.987 0 40 GJAB O=c1c(O)c(-c2ccc(-c3oc4ccccc4c(=O)c3O)cc2)oc2ccccc12 1674584 FLOSYNKAKASKDD-UHFFFAOYSA-N 398.370 4.645 0 40 GJAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 1962538 QVDDRPDTBAVBCY-UHFFFAOYSA-N 381.815 4.928 0 40 GJAB COc1ccccc1-c1c(NC(=O)C2CCCCC2)n(C)c2ccccc2c1=O 2341028 LRUOXOBICCJZIA-UHFFFAOYSA-N 390.483 4.733 0 40 GJAB Cc1cc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)n(-c2ccccc2)n1 2465898 ARHUUGNIHSKENJ-OAHLLOKOSA-N 378.476 4.572 0 40 GJAB COc1ccc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 3203531 MCVWJULZOZZYRL-UHFFFAOYSA-N 388.448 4.788 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1Cl 3382430 OFQRXRSHIUDJAE-UHFFFAOYSA-N 379.070 4.995 0 40 GJAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CC1 4109417 QYJOLBSSRCGIBI-UHFFFAOYSA-N 393.531 4.511 0 40 GJAB O=C(C1CCCCC1)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 4732433 UICYUEHMLXTHQZ-UHFFFAOYSA-N 395.894 4.826 0 40 GJAB C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(-n2cncn2)cc1 5245847 XAHUWULJSPXTNM-KRWDZBQOSA-N 384.439 4.551 0 40 GJAB O=S1(=O)N=C(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c2ccccc21 5338541 LVDNBLFYXLKRFH-UHFFFAOYSA-N 384.844 4.693 0 40 GJAB Cc1cc(NC(=O)COc2ccc3ccccc3c2)ccc1N1CCCCC1=O 5441317 KZLTXNBKTYRIEL-UHFFFAOYSA-N 388.467 4.683 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)c3sc4ccccc4c3Cl)oc2c1 6305006 PNWMAVDZEGEJOI-UHFFFAOYSA-N 385.832 4.907 0 40 GJAB Cc1ccc(-c2noc(COC(=O)Cc3coc4cc(C)c(C)cc34)n2)cc1 7814544 FEFOQIPTFQBFND-UHFFFAOYSA-N 376.412 4.694 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 7946273 FFWABXCTFNSGJM-UHFFFAOYSA-N 397.784 4.664 0 40 GJAB Cc1ccc2[nH]c(SCC(=O)N[C@H](c3ccccc3)c3cccs3)nc2c1 8065697 LETIABNYLLPUCM-HXUWFJFHSA-N 393.537 4.931 0 40 GJAB C[C@@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NCc1ccccc1 8705609 YBSFVVVCWVAKNU-XXBNENTESA-N 397.522 4.594 0 40 GJAB Cc1ccc(-c2nnc(SCc3nc(-c4ccccc4Cl)no3)n2C)cc1 8753530 HRBBQKIXDUYMAQ-UHFFFAOYSA-N 397.891 4.786 0 40 GJAB O=C(Cc1ccccc1)n1nc(-c2cccs2)nc1NCc1cccs1 9667667 GYCKTKTYQIOSGH-UHFFFAOYSA-N 380.498 4.563 0 40 GJAB CC(=O)N[C@@H](CC(=O)Nc1cccc(/C=C/c2ccccn2)c1)c1cccs1 12109055 JLHFIWKAFFJGHO-CFGKVWFZSA-N 391.496 4.520 0 40 GJAB CCOc1cc(Nc2ccc(NC(=O)Nc3ccc(C)cc3)cc2)nc(C)n1 12225857 UTRYBSQDBBLLLD-UHFFFAOYSA-N 377.448 4.880 0 40 GJAB C[C@@]1(C(=O)NCCCn2c3ccccc3c3ccccc32)CC1(Cl)Cl 12402155 YDUSUCVUBQBXTA-IBGZPJMESA-N 375.299 4.885 0 40 GJAB CCCOc1cc2cc(C(=O)c3cc(F)ccc3O)cnc2cc1OCCC 12612119 OWLJNCLABHAVSR-UHFFFAOYSA-N 383.419 4.888 0 40 GJAB Cc1ccc(-n2nc(C)c(NC(=O)c3ccc(-n4nccc4C)cc3)c2C)cc1 12754840 UENWGYOJQJYCNY-UHFFFAOYSA-N 385.471 4.544 0 40 GJAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c(C)c1 12758902 RTVUQOPKANDPRL-QHCPKHFHSA-N 376.525 4.951 0 40 GJAB CC(C)[C@@H]1C[C@@](CCNC2CCN(C)CC2)(Cc2ccccc2Cl)CCO1 13569818 JIHOBMMLMZGXQJ-XZOQPEGZSA-N 393.015 4.778 0 40 GJAB COc1ccc(CN2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)cc1 13656221 RZOJJWTUGPUTBB-UHFFFAOYSA-N 399.446 4.821 0 40 GJAB biogenic O=C(NCCCc1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 13668330 ADIYXBLBXFHTPR-UHFFFAOYSA-N 384.523 4.608 0 40 GJAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1cccc(Cl)c1 13709705 IHYOKUAZGWLUND-ZDUSSCGKSA-N 384.328 4.810 0 40 GJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 13710783 QOGNSYDBFITALB-IBGZPJMESA-N 394.515 4.726 0 40 GJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(N2CCCCC2)cc1 14401646 SSIHIJYYMAPDMI-UHFFFAOYSA-N 391.515 4.555 0 40 GJAB O=C(Nc1cc(F)cc(F)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1 16305761 PAFVVPZXWRWINK-UHFFFAOYSA-N 394.421 4.609 0 40 GJAB CCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(OC)c(OC)c1 22074390 LFWIHYSPOOPGRX-UHFFFAOYSA-N 384.303 4.742 0 40 GJAB CC(=O)Nc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)ccc1F 22867762 LSZZZLDYKUNELO-UHFFFAOYSA-N 396.393 4.755 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 30758976 SATZACSRCFZXJW-IERDGZPVSA-N 393.483 4.892 0 40 GJAB COC(=O)c1sc2nc(C)nc(N[C@@H](c3ccc(OC)cc3)C3CC3)c2c1C 30767402 GWXKKIZHDYITSO-QGZVFWFLSA-N 397.500 4.667 0 40 GJAB CC(C)c1ccc([C@@H](C)NC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 32802306 QSYSMCNLZMFMDO-DYESRHJHSA-N 376.504 4.693 0 40 GJAB O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(F)cc1 33326044 DKSMYCDBSHQJKZ-QGZVFWFLSA-N 397.475 4.518 0 40 GJAB Cc1ccnn1CCCNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 36614193 GIPPSDORBVBBMB-UHFFFAOYSA-N 395.816 4.823 0 40 GJAB Cc1ccc(-c2noc3nc(-c4cccs4)cc(C(=O)NCC(F)F)c23)cc1 36618330 FJIXVMCQQVDIKG-UHFFFAOYSA-N 399.422 4.922 0 40 GJAB CC(C)C(=O)Nc1cccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)c1 40096087 KSTTUEBYOOCKLJ-UHFFFAOYSA-N 379.382 4.622 0 40 GJAB Cc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 44912343 WCPDHQPYHXUQKE-UHFFFAOYSA-N 391.342 4.830 0 40 GJAB CC[C@@H](C)[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 58007476 GIPLZWLSEWDFTQ-IAGOWNOFSA-N 394.544 4.577 0 40 GJAB CCN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1ccccc1C 58641702 SZSOGHASSPJWRJ-UHFFFAOYSA-N 388.496 4.971 0 40 GJAB Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 72328180 IZSUOIIDIKACTI-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB O=C(CCc1ccccc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72358647 XMGJRLCKJHQCSD-IBGZPJMESA-N 389.474 4.622 0 40 GJAB Cc1ccc(C2(C(=O)N[C@@H](C)Cc3c[nH]c4c(C)cccc34)CCOCC2)cc1 72390337 COKCDPQQCGSFNS-IBGZPJMESA-N 390.527 4.580 0 40 GJAB O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N(Cc1ccsc1)C1CC1 84393389 IPQSPOLDTAEONN-DLBZAZTESA-N 376.319 4.805 0 40 GJAB O=C(Nc1cccc(Sc2ccccc2)c1)c1ccc(N2CCNC2=O)cc1 84558694 DINCECQQTPHXEC-UHFFFAOYSA-N 389.480 4.620 0 40 GJAB COc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 100424963 JPAWITYARRVPMB-NHCUHLMSSA-N 395.572 4.567 0 40 GJAB O=C(CCc1ccccc1)Nc1c(NC2CCCC2)c2ccccc2oc1=O 101096031 VKOAZOTUPISOEK-UHFFFAOYSA-N 376.456 4.719 0 40 GJAB O=C(Nc1cccc(Cl)c1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 208876276 VNZACHDXGSNDAD-XWDORNJCSA-N 385.939 4.767 0 40 GJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(OC)c3)N21 222656829 PTOQCHSLXDYLBA-ZLGUVYLKSA-N 397.544 4.857 0 40 GJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)cn3)N21 222675500 XNWDHBFYXRAQGP-ZLGUVYLKSA-N 389.528 4.555 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C 222781601 MNKPEEMPWIOJAH-YADHBBJMSA-N 390.556 4.541 0 40 GJAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225583513 BUCLWLYDHIKLAU-IBGZPJMESA-N 389.609 4.949 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)c1 225704537 LBCNSCNNVSEFQI-IBGZPJMESA-N 398.528 4.544 0 40 GJAB Cc1cccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 225803069 AMSCIKKKNZYMEF-UHFFFAOYSA-N 375.350 4.635 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NCCCc2cccc3ccccc23)c1 225809041 JYBQKRLRQLYSKQ-UHFFFAOYSA-N 392.524 4.936 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225825010 VRVNYXQKUMUEIN-KSFYIVLOSA-N 393.524 4.965 0 40 GJAB COc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1cccc2ccccc12 226325569 BHBNXBSEEUAJOE-UHFFFAOYSA-N 381.819 4.713 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccc(OC)c3OC(C)C)N21 260775096 PDFWXCFSJKKYRU-YSGRDPCXSA-N 397.544 4.857 0 40 GJAB O=C(Nc1ccccc1F)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408698359 MVRLGMKNMATVQE-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408818905 YSBQVZRPJOYHDJ-GZTJUZNOSA-N 393.782 4.643 0 40 GJAB O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1cccc2ccccc12 408972315 RBJAFVUJDJPKPY-UHFFFAOYSA-N 384.435 4.709 0 40 GJAB CC(C)c1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)cc1 675133 ZMSHIFMKDNYFDC-FZCLSBEQSA-N 384.501 4.619 0 40 GJAB CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 825859 QZNQTLPLRIJJML-GDKCJGSASA-N 397.302 4.743 0 40 GJAB Nc1nc(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c12)CCCC3 2274798 RILDTPPJIHYHEZ-UHFFFAOYSA-N 389.933 4.781 0 40 GJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1O 3249664 SBNXOIZQZAZWER-HXUWFJFHSA-N 380.831 4.825 0 40 GJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 3445114 XSYQNCCMPJIIMD-SMDDNHRTSA-N 397.566 4.589 0 40 GJAB C[C@]12CC[C@H]3c4ccc(OCc5ccc(F)cc5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O 4027830 GWXDJKCRYNAAKC-HFRKGGPVSA-N 396.502 4.593 0 40 GJAB Cc1nn(Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(Oc2ccccc2)cc1 4072962 VYGJMILWYDUYNW-UHFFFAOYSA-N 391.858 4.836 0 40 GJAB O=C(CCCc1ccccc1)NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1 4315818 YXQFSUODNPFNOX-UHFFFAOYSA-N 399.947 4.961 0 40 GJAB CCN1c2ccccc2C[C@@](CCN(C(C)C)C(C)C)(C(N)=O)c2ccccc21 5389809 DANNGFZWNDZQKW-RUZDIDTESA-N 393.575 4.633 0 40 GJAB Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@H]2c2ccsc2)c(C)c1 5452249 AVIXSBHWLREFQO-JOCHJYFZSA-N 390.508 4.794 0 40 GJAB CCc1ccc(N2C[C@H](C(=O)Nc3cc(C(C)(C)C)ccc3OC)CC2=O)cc1 5719393 WQMFAAQJZNFAAK-QGZVFWFLSA-N 394.515 4.547 0 40 GJAB COc1cccc(C2=N/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)O2)c1 6047403 LDRHLFHGOBWBIY-PDGQHHTCSA-N 379.799 4.953 0 40 GJAB CC(C)(C)N/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 6363716 YELYCMRJTDVCPR-SFQUDFHCSA-N 388.389 4.621 0 40 GJAB N=C1NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)S1 6996723 GZHZRHCNSZJKSF-MKMNVTDBSA-N 397.258 4.850 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 7882083 KQRNTOVSAPQQME-GXTWGEPZSA-N 377.271 4.542 0 40 GJAB CSc1ccccc1NC(=O)[C@H](C)N1CCC(c2nc3ccccc3o2)CC1 7982661 OWORCXYGNKNVCD-HNNXBMFYSA-N 395.528 4.756 0 40 GJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCC[C@@H]2CCCC[C@@H]21 8187243 CNTOHWFNZASGLT-RXVVDRJESA-N 386.499 4.729 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(Oc2ccccc2)c1 8405858 LXBJEJRIACSLGV-OAQYLSRUSA-N 376.456 4.639 0 40 GJAB O=C(NC1CCCCC1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 8476853 UAESTQUXZNFKJQ-UHFFFAOYSA-N 398.869 4.789 0 40 GJAB CCc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1 10213724 BLOFJNVZQRTEIK-UHFFFAOYSA-N 378.455 4.661 0 40 GJAB COc1ccc(CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1OC 11011141 JYOFUHSPTWFJRQ-UHFFFAOYSA-N 390.483 4.588 0 40 GJAB CCn1ncc2c(C(=O)Nc3ccc(F)c(F)c3)cc(-c3ccccc3)nc21 11378720 KEAHMTHRNVQIGU-UHFFFAOYSA-N 378.382 4.649 0 40 GJAB COCC(=O)Nc1cc(Cl)ccc1Oc1ccc(C(=O)c2ccccc2)cc1 12800363 NNNOMAWOKLANLY-UHFFFAOYSA-N 395.842 4.948 0 40 GJAB Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c1 13009886 TUROZZHZVSFURF-UHFFFAOYSA-N 399.458 4.667 0 40 GJAB O=C(O)Cc1ccc(NC(=O)c2ccccc2OCc2ccccc2Cl)cc1 13439712 NIMALNZQHAKVPH-UHFFFAOYSA-N 395.842 4.798 0 40 GJAB COc1ccc(-c2cn3c4ccccc4nc3n2CCCN2CCCCC2)cc1 13809687 AJSQPDZQDSEVQQ-UHFFFAOYSA-N 388.515 4.841 0 40 GJAB S=c1n(CN2CCC[C@H]2c2cccs2)nc(-c2cccnc2)n1C1CC1 14197104 RILXYSRISKURDG-INIZCTEOSA-N 383.546 4.667 0 40 GJAB Cc1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2)cc1NC(=O)c1ccco1 15561934 KCXJPUWMUNUEIW-CQSZACIVSA-N 382.847 4.985 0 40 GJAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccccc3)c3ccccc32)cc1C 16777522 HLVHABAPOPLJHB-UHFFFAOYSA-N 383.451 4.781 0 40 GJAB CSc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 16832645 LUEFSGONXVXVFO-UHFFFAOYSA-N 386.480 4.909 0 40 GJAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(F)c4)nccn3n2)cc1 16841135 FSMABVUDDJCPTN-UHFFFAOYSA-N 392.459 4.575 0 40 GJAB CCOc1cccc2c1Oc1nc(-c3ccc(C(=O)OC)cc3)[nH]c(=S)c1C2 20861693 DTJIVXFAXGQZFL-UHFFFAOYSA-N 394.452 4.688 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)c2)cs1 22979302 UYQMTRGVLQMQTL-UHFFFAOYSA-N 395.509 4.805 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1 23008501 PJOCBWZDKDXWQR-UHFFFAOYSA-N 386.407 4.581 0 40 GJAB O=C1c2cccc3cccc(c23)N1C[C@@H](O)COc1cc(Cl)ccc1Cl 24843820 QUYCQAHBJCVULN-CQSZACIVSA-N 388.250 4.547 0 40 GJAB CC(C)C(=O)Nc1cccc(CNCc2ccccc2OCc2cccnc2)c1 30629530 GRXKCSWRCJCXGU-UHFFFAOYSA-N 389.499 4.545 0 40 GJAB Cc1ccc(-c2nc(CSCC(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 31411708 SRVOEDLWAUIOCX-UHFFFAOYSA-N 398.509 4.719 0 40 GJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(SCc2cccs2)s1 32823813 JQLMXDARQJHWIC-WCQYABFASA-N 399.632 4.679 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1-n1cccc1 32932280 HKZJTCRGYKVQFA-UHFFFAOYSA-N 385.423 4.883 0 40 GJAB Cc1ccc2nc(NC(=O)CCNC(=O)c3ccc(C(C)(C)C)cc3)sc2c1 35672008 GHEZDGKNVWMHHG-UHFFFAOYSA-N 395.528 4.661 0 40 GJAB CSc1ccccc1C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38904692 ZWHDSPHRIHBRHY-UHFFFAOYSA-N 397.475 4.617 0 40 GJAB C[C@H](NC(=O)CSc1nnc(C(C)(C)C)o1)c1ccc(Cl)cc1Cl 40134555 KDFYVTGBMGIGDQ-VIFPVBQESA-N 388.320 4.643 0 40 GJAB COc1ccc(N(C)C(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1OC 64321972 MVTSUJRYXRUAPD-UHFFFAOYSA-N 388.423 4.789 0 40 GJAB COc1ccc(CNC(=O)c2ccc(CSCc3cccc(C)c3)o2)cc1 71116863 GUQWHJNXFWURBP-UHFFFAOYSA-N 381.497 4.960 0 40 GJAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1)N1CCCCC1 95471182 XPQQQIZUZVOJJT-UHFFFAOYSA-N 381.426 4.751 0 40 GJAB CCc1nn(C)c(Cl)c1C(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 95981662 LSAQEZRQSGPCAR-UHFFFAOYSA-N 395.315 4.974 0 40 GJAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCCN1c1nc2ccccc2o1 96122555 BCYYEMPRJGQARQ-OAHLLOKOSA-N 393.340 4.593 0 40 GJAB CC(C)c1cc(C(C)C)c(S(=O)(=O)/N=c2\sccn2C)c(C(C)C)c1 100080972 URLKLFDMLFIACA-VXPUYCOJSA-N 380.579 4.746 0 40 GJAB CCNc1c(NC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)oc2ccccc12 101096651 YEYVWFHWEDQJBJ-UHFFFAOYSA-N 391.349 4.888 0 40 GJAB Cc1ccc(C2=C[C@H](c3cc(Br)ccc3F)n3ncnc3N2)cc1 101352798 PAFTYJKFWSEELQ-QGZVFWFLSA-N 385.240 4.544 0 40 GJAB Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(F)cc1C)C(=O)[C@H]1CCCC1=N2 101945621 DTAFTYJQBOZTOD-KRWDZBQOSA-N 393.462 4.609 0 40 GJAB Cc1csc(C2=C(O)CN(CC(c3ccccc3)c3ccccc3)C2=N)n1 102733838 DBSYKBHSXOCMEG-UHFFFAOYSA-N 375.497 4.846 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)c(OC)c1 104870520 PGSVYBCZVHIZRM-AVYPCKFXSA-N 381.472 4.566 0 40 GJAB O=C(c1cc(-c2cccnc2)on1)N1CCS[C@H](c2ccccc2Cl)CC1 206997765 GKCSTLRRRJIETJ-IBGZPJMESA-N 399.903 4.710 0 40 GJAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC(C)C 222929598 CMEYHEPTWPLFLJ-FGZHOGPDSA-N 390.556 4.809 0 40 GJAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)N(C)Cc4ccccc4)ccc32)c1 223084553 OMIMDUHQNXZAAL-UHFFFAOYSA-N 398.506 4.860 0 40 GJAB Cc1ccccc1[C@@H](C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 223105772 SSUYZPYGLZHUCM-VKZJTJHYSA-N 390.508 4.705 0 40 GJAB O=C(COc1cccc2c1CCCC2)Nc1nnc(-c2ccc(Cl)cc2)s1 223704384 AKQXWYJGUKXGGE-UHFFFAOYSA-N 399.903 4.755 0 40 GJAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc2c3c(cccc13)CC2 223829697 DJZFWGTVMMNAAS-UHFFFAOYSA-N 378.431 4.691 0 40 GJAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NC3CCCCC3)n2)cc1 225199422 YCXMVOMMTOJBAZ-UHFFFAOYSA-N 385.537 4.546 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)c2C)cc1 408596659 SQKHSPOAKVWUAY-UHFFFAOYSA-N 377.307 4.501 0 40 GJAB Cc1nc(CO[C@H]2CCN(c3ccnc4cc(C(F)(F)F)ccc34)C2)cs1 585083316 QKOUHWDJVOCSJW-HNNXBMFYSA-N 393.434 4.814 0 40 GJAB CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc2c(c1)[C@H](C)CC(=O)N2C 627066000 NAAOAYYKUXWPCX-WAIKUNEKSA-N 391.515 4.944 0 40 GJAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 2723702 FUUPMGPVTVZOGW-UHFFFAOYSA-N 378.284 4.910 0 40 GJAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1cc2ccccc2o1 3421004 APVOBUOUZFUYFG-UHFFFAOYSA-N 389.480 4.925 0 40 GJAB CC(=O)Nc1ccc(SCC(=O)Nc2ccccc2Cc2ccccc2)cc1 3449304 OOTXDBAHRFZCDX-UHFFFAOYSA-N 390.508 4.967 0 40 GJAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)c1ccc(Cl)s1 3537508 FCTMJKPBICTJJW-UHFFFAOYSA-N 386.889 4.505 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1oc1ccccc12 4106805 OUSDUTQSTJPLMQ-UHFFFAOYSA-N 399.859 4.769 0 40 GJAB aggregator O=C(Nc1ccc2ccccc2c1)/C(=C\c1ccccc1)NC(=O)c1ccco1 4843941 MZXWFQFHMGNVMN-RCCKNPSSSA-N 382.419 4.842 0 40 GJAB CCOc1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)cc1 4887945 DIUYXOZZHBREHZ-FRIKZZABSA-N 396.506 4.540 0 40 GJAB C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3nc2-c2ccccc2)C1 5021009 YQFRVYKJNATLIQ-MRXNPFEDSA-N 377.513 4.647 0 40 GJAB COc1ccc(-c2nnc(S[C@@H]3CCCCC3=O)n2-c2ccccc2F)cc1 5638231 SOUWDQHFQNJTLC-LJQANCHMSA-N 397.475 4.686 0 40 GJAB Cc1ccccc1[C@H](OC[C@@H](O)Cn1c(C)nc2ccccc21)c1ccccc1 5689545 KQJKBBSLPJYJGJ-SQJMNOBHSA-N 386.495 4.820 0 40 GJAB O=C1S/C(=C/c2cc3c(cc2Cl)OCO3)C(=O)N1c1cccc(Cl)c1 6191582 ORIZUZYBXDYPNT-PJQLUOCWSA-N 394.235 4.963 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 6649448 LVXYHKHBWNTQCY-CQSZACIVSA-N 390.936 4.989 0 40 GJAB Brc1ccc(-c2ccc3nnc(SCc4ccccc4)n3n2)cc1 7510090 MMGCTELWOSDDKO-UHFFFAOYSA-N 397.301 4.846 0 40 GJAB CCOc1ccc2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2c1 7768130 UMCTZEREQBXFSV-UHFFFAOYSA-N 395.509 5.000 0 40 GJAB Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1NC(=O)c1ccco1 8268788 JEQGDRDQRRDOQG-AWEZNQCLSA-N 380.469 4.661 0 40 GJAB CCOc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)o2)cc1 8271507 ZQOZJYARNSWBEO-UHFFFAOYSA-N 380.878 4.825 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1OCC 8479786 KOXAUTQTTNOFIC-UHFFFAOYSA-N 390.288 4.592 0 40 GJAB Cc1oc(C)c2c(=O)cc(-c3cccs3)cc(OC(=O)c3ccncc3)c12 9305741 WCQHHYRNDMHFCX-UHFFFAOYSA-N 377.421 4.753 0 40 GJAB Cc1ccsc1CN(C)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 9742437 FOEGUXNKKDBHMD-UHFFFAOYSA-N 388.496 4.576 0 40 GJAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 10089083 REFFPUMDUOYREU-MRXNPFEDSA-N 380.822 4.717 0 40 GJAB Cc1cc(C(=O)OCc2cccc(C(F)(F)F)c2)c2cnn(C(C)C)c2n1 10205572 NMIOUZKKYGDLKN-UHFFFAOYSA-N 377.366 4.696 0 40 GJAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc2c1C 10213703 PCLRVDQJTRDMEB-OAQYLSRUSA-N 390.483 4.923 0 40 GJAB Cc1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)CC(C)(C)C)n1 12089186 NWIPVAWMJOIYLG-UHFFFAOYSA-N 388.515 4.812 0 40 GJAB CN(C(=O)Nc1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)c1nccn1C 12507357 GXVXIQPGZQVUML-KRWDZBQOSA-N 389.286 4.980 0 40 GJAB CN(C)[C@H](CNc1ncnc2sc3c(c12)CCCC3)c1ccccc1Cl 13040206 FIKOHCAFETUTCP-MRXNPFEDSA-N 386.952 4.938 0 40 GJAB CCC[C@H](C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C)n1nc(C)cc1C 19501815 CGGWJERSSNTFQI-KNQAVFIVSA-N 399.535 4.516 0 40 GJAB CCOc1ccccc1-c1nnc(NC(=O)c2ccc(Cl)cc2Cl)o1 19927162 QPYAUFRKMDWUAB-UHFFFAOYSA-N 378.215 4.694 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc(Br)c(Cl)c2)cc1OC 20051008 RAIHNITVVJRGQC-UHFFFAOYSA-N 398.684 4.691 0 40 GJAB O=C(c1ccc(Br)cc1)N1CCCC[C@@H]1CCN1CCCCCC1 21170768 AUJVRLQHNSXLBD-LJQANCHMSA-N 393.369 4.710 0 40 GJAB Cc1cccc(NC(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)c1 22907680 BXORFMYRJPHIAS-NRFANRHFSA-N 391.540 4.978 0 40 GJAB O=C(COc1ccc(Oc2ccccn2)cc1)OCc1nc2ccccc2s1 23055797 MFDQGUAJQIWQOE-UHFFFAOYSA-N 392.436 4.606 0 40 GJAB COc1ccc(-c2cc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)[nH]n2)cc1 32617201 QQFNTUCBPRCKPK-UHFFFAOYSA-N 386.333 4.821 0 40 GJAB Cc1ccc(-c2nc(C[S@](=O)CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1 32801512 ZSQLVVRJSTZZAL-HHHXNRCGSA-N 398.553 4.623 0 40 GJAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)cc2F)cc1 36392155 QMOVLIPSVOGFAZ-GOSISDBHSA-N 392.268 4.964 0 40 GJAB Nc1nncn1C(=O)CCCOc1ccc(-c2ccccc2)cc1-c1ccccc1 38830351 MJTPOCWKNPEQLM-UHFFFAOYSA-N 398.466 4.694 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)NCCCCN1C[C@@H](C)C[C@@H](C)C1 40108513 MKTAJQIFVZPQMQ-GASCZTMLSA-N 391.606 4.668 0 40 GJAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)c(C)c1 40128148 JLPBOWYAEAEYIE-MRXNPFEDSA-N 391.437 4.881 0 40 GJAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2SCc1ccccc1Cl 41104802 RXEMOKKOKJZTOR-KRWDZBQOSA-N 390.936 4.616 0 40 GJAB O=C(NC1CCCC1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078848 PUVCQPWVQXOCEF-UHFFFAOYSA-N 382.891 4.605 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@@H](C)Oc1ccccc1 49985296 HYXDYMWBRWUIPD-OAHLLOKOSA-N 399.878 4.595 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)CNC(c1ccccc1)c1ccccc1 58161202 MTOZZRPXLLPUIY-UHFFFAOYSA-N 394.902 4.975 0 40 GJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 59227341 GBSBAUMLAZLJMG-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cc1cc2oc(=O)cc(CSc3nc(-c4cccnc4)n[nH]3)c2cc1C(C)C 60530602 IEFUDXJOPUDNOC-UHFFFAOYSA-N 392.484 4.697 0 40 GJAB O=c1c2sccc2nc(SCCc2ccccc2)n1Cc1ccccc1F 67259880 YXYGTEIVBIPGJG-UHFFFAOYSA-N 396.512 4.980 0 40 GJAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 72216638 IHIUMXLAPBUYKU-NRFANRHFSA-N 379.504 4.936 0 40 GJAB Cc1ncsc1C(=O)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359711 SEHQYXPYYFWXKY-UHFFFAOYSA-N 398.919 4.582 0 40 GJAB O=c1[nH]c(CN(Cc2cccs2)C2CC2)nc2scc(-c3ccccc3)c12 84564651 LTQSJCLMWBPDOE-UHFFFAOYSA-N 393.537 4.878 0 40 GJAB Cc1ccc(CC(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)cc1O 95459365 HKBMVSRIQRJSDF-UHFFFAOYSA-N 391.515 4.505 0 40 GJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N[C@@H]1CCCC[C@H]1C(F)(F)F 95950557 JZHSYFZRUYDIDA-ZIAGYGMSSA-N 384.398 4.971 0 40 GJAB Cc1cc(-c2cnc(C3CC3)nc2[C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)on1 100743916 KJIOEJJMAVYUDK-IYBDPMFKSA-N 396.535 4.754 0 40 GJAB Cc1cc(OCC(=O)NCCSCc2cccc(Cl)c2)ccc1Cl 218936372 ICUTXBGIYPTVJZ-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 222878368 GFNVZCHQMJXQFX-GOSISDBHSA-N 381.501 4.926 0 40 GJAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCC2 223201307 ADHIAMAQBARJBX-LBPRGKRZSA-N 384.328 4.663 0 40 GJAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223756811 LDXKCKAGJKSYFP-HJPURHCSSA-N 379.500 4.535 0 40 GJAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2CC)cc1 224351680 CYHVLTQQXVPTDM-LEWJYISDSA-N 376.529 4.643 0 40 GJAB CCOc1ccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225430942 XRGYTKAJEGNOQC-UHFFFAOYSA-N 399.741 4.988 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225738869 CRZRIEWQZDNOLT-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB CCCCOc1ccc(C(=O)NCCn2nc(C)c(-c3ccccc3)c2C)cc1 238837373 HASQOQMKKVUNTJ-UHFFFAOYSA-N 391.515 4.776 0 40 GJAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](OC(=O)c3ccccc3)CC[C@H]12 238950657 ZGDZDAPCWHIIKB-VLPUJBPJSA-N 394.555 5.824 0 40 GJAB biogenic COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccccc3)n2)cc1 408693637 BHONVHGNLFXMFR-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2cccc(C)c2)n1 408697970 KNHNALMCRGSZOC-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)CCc1ccccc1 408713949 DNEXOXSRUOGRFL-UHFFFAOYSA-N 377.488 4.625 0 40 GJAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3c(C)cc(C)cc3C)C2=O)c1 408940722 VKHCQMXTHAXDBT-ODLFYWEKSA-N 394.496 4.595 0 40 GJAB CO[C@H](C(=O)NCCSCc1c(Cl)cccc1Cl)c1ccccc1 409026289 LAYDVVUQRSXHKX-KRWDZBQOSA-N 384.328 4.731 0 40 GJAB FC(F)(F)Oc1ccccc1[C@@H]1C[C@@H]1c1nc(-c2ccc3nc[nH]c3c2)no1 545752299 HTFOZAYVZQFDNC-STQMWFEESA-N 386.333 4.783 0 40 GJAB FC(F)(F)c1cccc(-c2noc([C@@H]3CCN(CCc4ccccc4)C3)n2)c1 585172043 LZIFAWGQXOGDGZ-QGZVFWFLSA-N 387.405 4.787 0 40 GJAB O=C(NC[C@H]1CCCN([C@@H]2CCCc3ccccc32)C1)Nc1cccc(F)c1 1167937020 QEAWQNHTGRGNCO-VGOFRKELSA-N 381.495 4.737 0 40 GJAB COc1cnc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c(F)c1 1264186460 DEWBSFRARXGASS-UHFFFAOYSA-N 379.416 4.758 0 40 GJAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CC[C@@H](Cc2nccs2)C1 1622864516 HCEXCONHAAOHTO-AWEZNQCLSA-N 398.463 4.566 0 40 GJAB COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@@H](C(=O)O)[C@@H](CCc3ccccc3)O[C@@H]21 1848357104 TXQSLLCRHIMCJG-VMBXEPDQSA-N 396.483 4.646 0 40 GJAB Cc1nn(C)c(Sc2ccc(Cl)cc2)c1C(=O)Nc1ccc(F)cc1 1401146 YNHMZOXXGGOCME-UHFFFAOYSA-N 375.856 4.925 0 40 GJAB O=C(CSc1ncnc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1 2453976 IVSUWVUWWNVRIC-UHFFFAOYSA-N 394.887 4.503 0 40 GJAB O=C(/C=C/c1cccc(F)c1)Nc1nc2ccc(Br)cc2s1 3335499 RXTPCYWMOOOALR-QPJJXVBHSA-N 377.238 4.850 0 40 GJAB Cc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1ccco1 4487778 UOUYGZYLBUQIPD-UHFFFAOYSA-N 384.819 4.511 0 40 GJAB CCc1ccc(Cc2cnc(NC(=O)c3cc4ccccc4c(=O)o3)s2)cc1 4540188 HGOAAZMQIXLUGT-UHFFFAOYSA-N 390.464 4.655 0 40 GJAB Clc1ccc(-c2nnc3sc(COc4ccccc4)nn23)c(Cl)c1 5100498 WQLQTJHJODCINF-UHFFFAOYSA-N 377.256 4.739 0 40 GJAB CCCN(CCC)P(=O)(C(Cl)=C(N(C)C)N(C)C)N(CCC)CCC 5257732 AXWCDTKUKRKEMQ-UHFFFAOYSA-N 394.972 4.912 0 40 GJAB Cc1cccc(-c2c(NC(=O)c3ccc(F)cc3)n(C)c3ccccc3c2=O)c1 5423309 QMHKAIIXFXHKRC-UHFFFAOYSA-N 386.426 4.905 0 40 GJAB COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C)cc2)c2ccccc2)c1 6430508 ZDRBTMBWRCLNTO-NRFANRHFSA-N 375.424 4.540 0 40 GJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccccc2)n(-c2ccccc2)n1 6476025 MWKKPQDYZQPYNR-UHFFFAOYSA-N 398.510 4.633 0 40 GJAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)c(C)c1 6629935 POJBMNAFPPODAE-UHFFFAOYSA-N 389.952 4.930 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 6649402 GTZVLNKIUSAWAZ-UHFFFAOYSA-N 384.545 4.705 0 40 GJAB CCOC(=O)C1=C(C)N=C2SC=C(C)N2[C@H]1c1cccc(Br)c1 6891651 DLTKJNCFOAAJAS-HNNXBMFYSA-N 393.306 4.607 0 40 GJAB Cc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccs3)sc2c1 7424668 OKRLADQTFRERSA-UHFFFAOYSA-N 382.514 4.600 0 40 GJAB C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)c1ccccc1 8188608 KOQKHUPTIKCQAP-NSHDSACASA-N 389.274 4.863 0 40 GJAB COc1ccccc1CNC(=O)C1(Cc2nc3ccccc3s2)CCCC1 9578936 LSJDWCDOHQUUEH-UHFFFAOYSA-N 380.513 4.724 0 40 GJAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)c(Cl)c1Cl 10543889 DOUMLGJCHQVANT-GFCCVEGCSA-N 388.316 4.658 0 40 GJAB Cc1sc2nc(CN3CCCC3)nc(Nc3ccc4cn[nH]c4c3)c2c1C 12507211 KJOGWIANSUFRAG-UHFFFAOYSA-N 378.505 4.524 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 12581052 XYKQSFVJZBBSQS-INIZCTEOSA-N 390.270 4.612 0 40 GJAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(N(C)C)cc3)s2)cc1 12610397 IHLNEZYNIODDKO-UHFFFAOYSA-N 381.501 4.657 0 40 GJAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)ccc21 12617345 VFNBTGWCOBECDM-WGGBDISSSA-N 389.495 4.793 0 40 GJAB CCOc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc(Br)c1OC 12758928 MQQCDZUDRPIIPE-KGLIPLIRSA-N 396.325 4.509 0 40 GJAB Cc1cccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 13671539 IOSNFTYRQXCZJB-UHFFFAOYSA-N 398.550 4.916 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Sc1nc2ccccc2nc1O 16249556 MRAFIKVKVOOYIH-UHFFFAOYSA-N 397.843 4.885 0 40 GJAB Cc1ccccc1Nc1nc(N2CCCCC2)nc2c1cnn2-c1ccccc1 17136009 UWLFSDCKDLBRBP-UHFFFAOYSA-N 384.487 4.858 0 40 GJAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)Nc1cccc(Cl)c1 17191835 QAZAFDBSBYAUSG-UHFFFAOYSA-N 394.887 4.781 0 40 GJAB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1cc2cc(Cl)ccc2o1 24210687 OMVHOZRTRWNOQI-UHFFFAOYSA-N 383.831 4.679 0 40 GJAB O=C(CCOc1cccc(F)c1)Nc1cccc(NC(=O)Nc2ccccc2)c1 24434097 QHMJVPXQPVRVHN-UHFFFAOYSA-N 393.418 4.877 0 40 GJAB O[C@H](c1ccccc1)C1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 25454410 PWYDVZKUZVVGQG-GOSISDBHSA-N 387.405 4.599 0 40 GJAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3)o2)c1 27525188 UQFVIQGEJDJRCX-UHFFFAOYSA-N 397.500 4.811 0 40 GJAB O=C(Nc1ccc(SC(F)F)cc1)c1cccc(OC[C@H]2CCCO2)c1 27642812 HTDLAESLMBFUQY-MRXNPFEDSA-N 379.428 4.811 0 40 GJAB COc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)no2)cc1 28251687 JTPRFYPBTVDPFG-UHFFFAOYSA-N 394.452 4.847 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1 28306376 GJNHOLQDDDQQMT-UHFFFAOYSA-N 375.856 4.947 0 40 GJAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 29838700 UBMJECDDLWXBMC-UHFFFAOYSA-N 388.301 4.652 0 40 GJAB CCn1nc(C)c2c(C(=O)N3CCC(C)CC3)cc(-c3ccc(C)cc3)nc21 36613521 OJVHNJOYUMUJHW-UHFFFAOYSA-N 376.504 4.607 0 40 GJAB COc1ccc(-c2nnc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)s2)cc1 36705303 FEJJRQBOEGUSQM-INIZCTEOSA-N 394.500 4.625 0 40 GJAB COc1ccc(CN(C)[C@@H](C)c2nc3ccccc3n2C(F)F)c(OC)c1 36722710 HLAWUFWVAMNENJ-ZDUSSCGKSA-N 375.419 4.642 0 40 GJAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)C12CC3CC(CC(C3)C1)C2 36773056 NVDCZASQTAYJTG-UHFFFAOYSA-N 396.343 4.914 0 40 GJAB CC1(C)[C@@]2(c3ccccc3)[C@H]3[C@@H](O)C(Br)=C[C@@H]3[C@@]12c1ccccc1 43761654 LXXURMUGPWKUQM-CRDRRFEFSA-N 381.313 4.802 0 40 GJAB Cc1cccc(NC(=O)N2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)c1 47208629 XQLPOOAZFMLJLK-JOCHJYFZSA-N 391.515 4.506 0 40 GJAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 65554137 KVRNYKLOABIEJB-UHFFFAOYSA-N 392.547 4.599 0 40 GJAB O=c1c(Cl)c(N2CC3C[C@H]4CC2C[C@@H](C3)C4)cnn1-c1ccc(Cl)cc1 65946788 HYAPQVAYQBOJNQ-HFZWIWRYSA-N 390.314 4.554 0 40 GJAB CCCSc1ncc(Br)c(C(=S)NCc2ccc(C)cc2)n1 71195072 YLZRAORTFBQZFH-UHFFFAOYSA-N 396.379 4.515 0 40 GJAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc2ccccc2c1 71980482 PSLZGKBEKHRSHH-VIHQBZHPSA-N 395.499 4.698 0 40 GJAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1cnc(C)s1 72370502 GFRMZHNFCAKEGM-HNNXBMFYSA-N 399.585 4.623 0 40 GJAB Cc1cc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)ccc1N(C)C 84090324 JMCLJEXZPRCANK-KRWDZBQOSA-N 389.499 4.858 0 40 GJAB C[C@@H](NC(=O)Nc1cc(C(=O)N(C)C)ccc1F)c1ccc(C(C)(C)C)cc1 95964571 JUZCITXSXCOEAS-CQSZACIVSA-N 385.483 4.708 0 40 GJAB O=C(Nc1ccc(F)cc1)N1CCC2(CC1)CCn1c(-c3ccccc3)cnc12 96243528 PBZSTXMWMIZFLJ-UHFFFAOYSA-N 390.462 4.659 0 40 GJAB CC(C)CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c(O)c2ccccc21 100534641 ISQOCWBAQOUPGF-UHFFFAOYSA-N 384.863 4.659 0 40 GJAB C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2)cc1 101166783 SVHGNNLVLIPHFL-HSZRJFAPSA-N 380.451 4.913 0 40 GJAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(F)c(C(F)(F)F)c1 108069582 ZFXHABJSDFWQQE-HNAYVOBHSA-N 392.396 4.601 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1C 222851491 HQQBWCRDQYBVJJ-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 223001393 BHBWWPUFJJLDTJ-WOJBJXKFSA-N 385.504 4.746 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 223748916 QMXDRLHHTHFBID-NHCUHLMSSA-N 392.528 4.650 0 40 GJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1C 224264344 NMDFOKSTLVUYJB-YADHBBJMSA-N 390.556 4.831 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(CN2CCCCC2)c1 224697272 DVCFOSLQSLKKLU-QHCPKHFHSA-N 394.559 4.763 0 40 GJAB CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224965425 UCQXQOZNBLPWMS-UHFFFAOYSA-N 393.814 4.583 0 40 GJAB COc1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1Cl 225577644 BNVATTRMRRQQIM-UHFFFAOYSA-N 379.807 4.599 0 40 GJAB Clc1ccc(CCNc2ncncc2-c2nc(-c3ccsc3)no2)cc1 225579916 KDDSTUCZZWXHQV-UHFFFAOYSA-N 383.864 4.563 0 40 GJAB O=C(Cc1cccc(Br)c1)NC(c1ccccc1)c1ccccc1 225619639 AEIDREUFQZYYBP-UHFFFAOYSA-N 380.285 4.897 0 40 GJAB Cc1cccc(-c2noc(CCC(=O)Nc3c(Cl)cccc3Cl)n2)c1 225813778 LBBSVQUSGZRDTF-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CCC1(CC)C[C@@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC 256051125 HVEKNXRPQDDQLH-XMMPIXPASA-N 393.483 4.647 0 40 GJAB COc1cc(Cl)c(-c2nc(O)c3c4c(sc3n2)CCCC4)cc1OC 408735066 NNETVZUFIGUHSE-UHFFFAOYSA-N 376.865 4.613 0 40 GJAB Cc1ccccc1CCc1nc(N(C)Cc2ccc(Cl)cc2)ncc1C(=O)O 585266931 WYYPUYSOPKDHGQ-UHFFFAOYSA-N 395.890 4.558 0 40 GJAB CC(=O)N[C@@H]1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)O[C@@H]2CCC[C@@H]12 1848354293 OHDJOQIJQFZQKS-WBADGQHESA-N 383.463 4.540 0 40 GJAB COc1c(C)cccc1C(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 2037978007 ICWRXQULBNWRRA-XMMPIXPASA-N 396.506 4.806 0 40 GJAB CCCCCSc1nnc2c(n1)O[C@H](c1cccnc1)Nc1ccccc1-2 2084579 DGAMWLUAPNZHBO-GOSISDBHSA-N 379.489 4.719 0 40 GJAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1C(F)(F)F 4033030 FOLSMUUDQONTAX-UHFFFAOYSA-N 382.345 4.667 0 40 GJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C5=CC(=O)OC5)=CC=C4[C@@H]3CC[C@@H]2C1 4044393 SVPNYAGEEKDKCQ-UCERBGRJSA-N 396.527 4.900 0 40 GJAB biogenic CCCC(=O)Nc1cc(OCC)c(NC(=O)NC2CCCCC2)cc1OCC 4373149 XPPCGCKFDNCKOZ-UHFFFAOYSA-N 391.512 4.677 0 40 GJAB aggregator COc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1OC 4487773 DTBSYIVQERUDJK-UHFFFAOYSA-N 388.876 4.662 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)CCCc2ccccc2)cc1 4585468 UVHKXHCBDDGUEY-UHFFFAOYSA-N 397.478 4.656 0 40 GJAB CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 4603743 AYIINHDHAONPQA-UHFFFAOYSA-N 398.422 4.614 0 40 GJAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 4854468 VHRNAKLJAFFDCM-FQEVSTJZSA-N 381.863 4.787 0 40 GJAB Cc1ccc(OC(F)F)c(C(=O)CSc2nnc(-c3ccccc3)o2)c1 5021101 QDGBIQAWWZVBKK-UHFFFAOYSA-N 376.384 4.621 0 40 GJAB C[C@](N)(c1cc(Br)cc(Br)c1N)C1CCCCC1 5159360 QYNKEKWNHSDRNY-CQSZACIVSA-N 376.136 4.548 0 40 GJAB in-vitro CCc1cccc2sc(N(CCN(C)C)C(=O)c3cccc(SC)c3)nc12 5242631 XIFRMFYSUFAHEC-UHFFFAOYSA-N 399.585 4.789 0 40 GJAB C[C@H](OC(=O)c1c(F)cccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1 5872444 OYAGMUFFCVVZLN-VIFPVBQESA-N 389.732 4.682 0 40 GJAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)o2)c1 5903024 KCFBDKFNOCEFGI-KGLIPLIRSA-N 385.464 4.542 0 40 GJAB COc1ccc(-c2csc(/C=C/c3ccc4c(c3)OCCO4)n2)cc1OC 6170804 MQNROASYNNCISW-XBXARRHUSA-N 381.453 4.769 0 40 GJAB Fc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2ccccc2)c(F)c1 6402958 CZXLDRIHLJSNRU-MRXNPFEDSA-N 387.455 4.874 0 40 GJAB CC(C)(C)N/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 6563247 LOARIVPGQLCECN-QINSGFPZSA-N 388.389 4.621 0 40 GJAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cc2ccccc2o1 7116487 CZWAOMPAKZLLRB-FUHWJXTLSA-N 391.471 4.554 0 40 GJAB COc1ccc(OC)c(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 7328984 DPMVMPNSVWVJEL-UHFFFAOYSA-N 381.501 4.513 0 40 GJAB CCOC(=O)CSCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 7506349 JZIMQZREQITZFK-UHFFFAOYSA-N 395.933 4.726 0 40 GJAB CCc1cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)sc1C 8209877 QIORREBOWYSXDF-UHFFFAOYSA-N 380.517 4.856 0 40 GJAB CN(C)c1ccc([C@H](CNC(=O)C[C@H]2C=CCC2)c2c[nH]c3ccccc23)cc1 8746776 HWNQVONOMBCQJN-AVRDEDQJSA-N 387.527 4.838 0 40 GJAB COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1 9660108 MJQBXDWNIKBUEJ-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB biogenic O=C(CCc1ccc2c(c1)OCO2)Nc1nc(-c2cc3ccccc3o2)cs1 9874646 LKGYDFOLPXBQFL-UHFFFAOYSA-N 392.436 4.856 0 40 GJAB COc1cc(NC(=O)Cc2csc(-c3ccsc3)n2)c(OC)cc1Cl 12748380 ITHHUQXODNHELB-UHFFFAOYSA-N 394.905 4.723 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1 12910448 WMJXOZRBOCPSQP-UHFFFAOYSA-N 397.277 4.744 0 40 GJAB COc1ccccc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 12975032 NUCRPWWZYUUPDZ-UHFFFAOYSA-N 388.876 4.945 0 40 GJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCCC3)no2)cc1 15860452 GMEULRRBMCLEQA-FQEVSTJZSA-N 393.487 4.508 0 40 GJAB CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 16751226 OLKCLFYEZNVKNX-HXUWFJFHSA-N 377.440 4.537 0 40 GJAB COc1ccccc1-c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 17246781 LUOOERTYTXNILJ-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CCCCCC/[S@@](CCC)=N/S(=O)(=O)c1ccc(Br)cc1 17379937 BICZWVIIVFLAJJ-FQEVSTJZSA-N 394.400 4.930 0 40 GJAB Cc1cc(-c2cnc(C3CCN(C(=O)CC4CCCC4)CC3)nc2C(C)C)on1 19121629 DWHUJLGEZNEWCG-UHFFFAOYSA-N 396.535 4.850 0 40 GJAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1F 24562756 IBFIYNINBCSPHU-IBGZPJMESA-N 383.854 4.531 0 40 GJAB COc1ccc(-c2cc(NC(=O)c3oc4ccc(F)cc4c3C)on2)cc1OC 27985769 CVASQWFDNVXCAQ-UHFFFAOYSA-N 396.374 4.805 0 40 GJAB CCOc1ccccc1C(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C 28231182 WIVTWQSLMBCIFF-UHFFFAOYSA-N 383.879 4.853 0 40 GJAB Cc1cc(C(=O)N[C@H](C)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)c(C)o1 29294155 PBQVZUZAPCCOAU-GFCCVEGCSA-N 391.393 4.900 0 40 GJAB CCOc1ncccc1CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 30308262 VBHJEFWKGDNQLY-UHFFFAOYSA-N 399.450 4.732 0 40 GJAB COCc1cccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)c1 32739440 NCEMCPFYGPHFAE-UHFFFAOYSA-N 381.432 4.601 0 40 GJAB O=C(CSc1ccc(F)cc1)Nc1ccc(-c2cn3c(n2)SCC3)cc1 38735696 GXJLUJILMMNVIV-UHFFFAOYSA-N 385.489 4.526 0 40 GJAB COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(C)cc3)C2=S)cc1 45932756 LXBCBDVQXLUTFU-UHFFFAOYSA-N 392.524 4.937 0 40 GJAB Cc1cc(SCC(=O)N(C)Cc2ccc(O)cc2)c(C)cc1Br 58406505 BXRWYXGTUSDGRQ-UHFFFAOYSA-N 394.334 4.522 0 40 GJAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)n2)cc1 64580024 VOYIUHYMQKLRHS-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C(F)(F)F)c(F)c2)n(C)n1 65092594 BVXHCNHIZHOKQL-UHFFFAOYSA-N 393.340 4.931 0 40 GJAB CC(C)(C)c1csc(NC(=O)CCc2nc(-c3ccc4cc[nH]c4c3)no2)n1 79482902 UCYUMIMWBBRCAD-UHFFFAOYSA-N 395.488 4.543 0 40 GJAB CN(C)S(=O)(=O)c1nc(-c2ccc(Cl)cc2)sc1-c1ccc(F)cc1 82087271 FYHFKMHISZLFKD-UHFFFAOYSA-N 396.896 4.520 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1ccnc(Cl)c1 84522657 UIWCZMQMKJWAOM-NRFANRHFSA-N 378.859 4.579 0 40 GJAB Cc1nc(-c2cc(C)n(CC(=O)NC3(c4ccccc4)CCC3)c2C)cs1 95348788 BCPFEYQXENOOPV-UHFFFAOYSA-N 379.529 4.732 0 40 GJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N[C@H]1CCCC[C@H]1C(F)(F)F 95950558 JZHSYFZRUYDIDA-KGLIPLIRSA-N 384.398 4.971 0 40 GJAB COc1ccccc1CS[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C 95960421 NTNDYTVQFZWFPJ-KRWDZBQOSA-N 395.528 4.758 0 40 GJAB CCOc1ccccc1-c1csc(NC(=O)c2ncccc2C(F)(F)F)n1 95983273 IMLXFDHSVLTRJQ-UHFFFAOYSA-N 393.390 4.875 0 40 GJAB Cc1ccccc1[C@@H]1CCN(C(=O)CSc2nc3ccccc3o2)CCS1 219266752 FITKYXZKHJEATA-IBGZPJMESA-N 398.553 4.935 0 40 GJAB CC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc(C)c(C)c1 222573302 FNGVEAIPQVMJMY-HXUWFJFHSA-N 387.545 4.620 0 40 GJAB CCSc1nnc(NC(=O)CSCc2c(Cl)cccc2Cl)s1 223265579 BYHHFAASKXNSDP-UHFFFAOYSA-N 394.374 4.829 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)[nH]1 224455244 ZBYAFCZDBRJKOE-OALUTQOASA-N 382.920 4.857 0 40 GJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225826936 KFRHSLBXIMURJR-QFIPXVFZSA-N 393.524 4.965 0 40 GJAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCC2)cc1C(=O)OCC 225849756 YIWQMKWSUZFYDV-UHFFFAOYSA-N 391.508 4.720 0 40 GJAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Br)cc1Cl 408625704 FFMKNRWTWIJMKE-RMKNXTFCSA-N 395.709 4.629 0 40 GJAB O=C(Cc1cccs1)Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1 408713400 XAMOZAURSMHJAH-UHFFFAOYSA-N 384.526 4.770 0 40 GJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)C1=O 409016553 DNQPYMLIPYIJIU-MBNTZHJCSA-N 399.468 4.876 0 40 GJAB CCc1cc(Br)cc(C)c1NC(=O)COc1cc(C)cc(C)c1 409122972 CVIMNXMWDHUUQG-UHFFFAOYSA-N 376.294 4.954 0 40 GJAB Cc1s/c(=N\C(=O)c2ccc(Br)cc2)n(C)c1-c1ccccc1 409193223 FTSMRUVORBNGPW-ZZEZOPTASA-N 387.302 4.566 0 40 GJAB COCCCN1C(=O)S/C(=C\c2ccccc2Sc2ccccc2)C1=O 409236619 TZQWESRMPSRHEV-JXAWBTAJSA-N 385.510 4.911 0 40 GJAB O=C(c1ccc(Oc2ccccc2)cn1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 514800123 DMFPWLHEARGPQH-HXUWFJFHSA-N 388.423 4.580 0 40 GJAB Clc1ccc(-c2noc([C@H]3CCCN(Cc4ncccc4Cl)C3)n2)cc1 528413840 KJFAJIDMZXHMJR-AWEZNQCLSA-N 389.286 4.818 0 40 GJAB COc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2CC(C)C)cc1 575443215 LZBRQXCJSGRQRV-OAQYLSRUSA-N 377.488 4.678 0 40 GJAB Cc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1 980843 VCDMKTSCYVIHOK-UHFFFAOYSA-N 382.847 4.518 0 40 GJAB N[C@@H](Cc1ccccc1)c1nnc(SCc2c(Cl)cccc2Cl)o1 1263482 WCXHOKYYRNPCHX-HNNXBMFYSA-N 380.300 4.911 0 40 GJAB CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 1368624 FDCPAJMDKGYAQB-NHCUHLMSSA-N 393.531 4.793 0 40 GJAB CC(C)n1c(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc2ccccc21 1370988 HVWIQVJVEGDONR-UHFFFAOYSA-N 397.910 4.625 0 40 GJAB COc1ccc(Cc2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc1 2931001 FEWGGDQTIAQCQP-UHFFFAOYSA-N 391.452 4.650 0 40 GJAB O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2)c1ccncc1 3100266 XPEWDSHYDVEMQE-UHFFFAOYSA-N 391.496 4.917 0 40 GJAB O=C(COC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccccc1 3311887 HLSYJNINMRBLFH-UHFFFAOYSA-N 399.855 4.694 0 40 GJAB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2ccccc2SC)cc1Cl 3413035 LEDCBGWVYDHAOA-NSHDSACASA-N 380.897 4.518 0 40 GJAB CCOc1ccc([C@H]2C[C@H](c3cccc4ccccc34)n3nc(N)nc3N2)cc1 4685336 XWZYOVNVBZESSJ-NHCUHLMSSA-N 385.471 4.559 0 40 GJAB Cc1ccc(C)c(SCC(=O)N[C@H](C)[C@@H](c2cccs2)N2CCCC2)c1 4979959 CHZRUARDNGCBKD-UTKZUKDTSA-N 388.602 4.799 0 40 GJAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N[C@@H]1CCCc2ccccc21 4987412 PKTIOBGIXAJGFU-SCLBCKFNSA-N 397.475 4.550 0 40 GJAB COc1ccccc1NC(=O)COc1ccc2ccccc2c1Br 5346951 RICHUNMTOODHGE-UHFFFAOYSA-N 386.245 4.628 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)c1 6315009 UFAITRFKXMKEKF-UHFFFAOYSA-N 397.891 4.685 0 40 GJAB COC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 6364104 HIINPSLJXRUGPV-UHFFFAOYSA-N 395.528 4.556 0 40 GJAB CCN1C(=O)S[C@H](Cc2ccc(OCc3ccccc3F)c(Cl)c2)C1=O 6952899 YBPNBXXYALJRPF-QGZVFWFLSA-N 393.867 4.685 0 40 GJAB COc1ccc2cc([C@H](C)C(=O)Nc3cc(NC(C)=O)ccc3OC)ccc2c1 7986519 TTYUVIDXNFKTEN-AWEZNQCLSA-N 392.455 4.558 0 40 GJAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1Cl 8586676 HWRBBQJQTUFFTR-UHFFFAOYSA-N 386.904 4.978 0 40 GJAB CC(=O)c1ccc(N2CCN(C(=O)c3sccc3-c3ccccc3)CC2)cc1 8747602 UGLGWBBLVMNQGD-UHFFFAOYSA-N 390.508 4.580 0 40 GJAB O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 8869935 ONNDXSWYWQLQTE-GOSISDBHSA-N 394.298 4.580 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3C)c3ccccc3)cc2c1 9428545 DXIGQJYZCQDGOK-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)cc1 9625231 NBRIVCWAONGVBW-OAHLLOKOSA-N 394.500 4.515 0 40 GJAB CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 10113775 VQGJIGUQGAWKLZ-UHFFFAOYSA-N 399.343 4.560 0 40 GJAB NC(=O)c1cccc(NCc2cc(-c3ccc(F)cc3)cnc2-c2ccncc2)c1 12337332 XKGNHPWHTNTOEH-UHFFFAOYSA-N 398.441 4.661 0 40 GJAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(C(C)C)cccc3s2)on1 12422355 JANXVGWBIWQRKS-CQSZACIVSA-N 385.489 4.542 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)c1 12520945 AHDNESKIJZDEGI-UHFFFAOYSA-N 375.437 4.759 0 40 GJAB O=C(Nc1ccc(F)cc1)C(=O)c1c(-c2ccc(Cl)cc2)nc2sccn12 12658861 XZDKXDJHDIJFME-UHFFFAOYSA-N 399.834 4.677 0 40 GJAB COc1ccc(SCC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 12753769 PXDBWYMPGCUPPU-OAQYLSRUSA-N 385.529 4.940 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)NCCCCOc1ccc(Cl)cc1 12799523 DWPGEAQXYZPCDY-UHFFFAOYSA-N 382.287 4.656 0 40 GJAB COc1ccc(OC)c(NC(=O)[C@H](C)SCc2ccc(C(F)(F)F)cc2)c1 12934489 UEYUBYCRCVGCBU-LBPRGKRZSA-N 399.434 4.983 0 40 GJAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccc(F)cc1 13777766 OYPVOPCWDLCKSV-JCTONOIOSA-N 397.490 4.733 0 40 GJAB Cc1c(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)oc2ccccc12 14227779 GTLLGBZTNKIFSZ-UHFFFAOYSA-N 390.468 4.705 0 40 GJAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1Cl 14398442 UESSHBXDUXIIOF-ZDUSSCGKSA-N 389.879 4.830 0 40 GJAB CC(=O)c1ccc(NCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 15288369 PZYNPIJHDBJNTN-HSZRJFAPSA-N 392.886 4.860 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)c1 16352216 LHPSNPCQTITLFZ-SFHVURJKSA-N 399.878 4.744 0 40 GJAB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)NCc1cccs1 16850107 NHBFGVYEHICDJK-UHFFFAOYSA-N 397.447 4.826 0 40 GJAB Cc1cccc(-c2nnc(CSc3nc(-c4ccccc4Cl)n[nH]3)o2)c1 19928226 COKFNIXOHFHNHQ-UHFFFAOYSA-N 383.864 4.776 0 40 GJAB Cc1cc([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)cc2c1NCCC2 24927198 YEBRHMSTOLTIGJ-GOSISDBHSA-N 378.419 4.761 0 40 GJAB Cc1sc2nc(SCc3nc(C(C)C)no3)n(CC(C)C)c(=O)c2c1C 25060630 MQGSNRGDMIEKGR-UHFFFAOYSA-N 392.550 4.530 0 40 GJAB COc1ccc([C@@H]2CN[C@]3(CC(=O)CC(C)(C)C3)c3[nH]c4ccccc4c32)cc1 25538871 GRPYXJAAELENBN-CPJSRVTESA-N 388.511 4.886 0 40 GJAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccco1 26124551 KVONMHSSELIEDZ-CMDGGOBGSA-N 378.819 4.627 0 40 GJAB O=C(Nc1ccc(Br)cn1)C1(c2ccc(Cl)cc2)CCCC1 30953033 HUKLKIGQPBXULX-UHFFFAOYSA-N 379.685 4.948 0 40 GJAB O=C1c2cccc3cccc(c23)N1CN1CCC(c2nc3ccccc3o2)CC1 32506803 FJPVDMNUCWSPHU-UHFFFAOYSA-N 383.451 4.778 0 40 GJAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NC4CCCCC4)cc3)n2)cc1 32578783 WKNMTXUJIYWGAL-UHFFFAOYSA-N 391.471 4.540 0 40 GJAB Cc1ccc(-c2ccsc2C(=O)NCc2ccccc2Cn2ccnc2)cc1 32860062 ZVVJCFNKGCLTGO-UHFFFAOYSA-N 387.508 4.898 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 32879859 RBNQTDXXNUJNQE-KPKJPENVSA-N 388.920 4.590 0 40 GJAB Cc1cc2cc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cc(Cl)c2o1 35316744 OMLJBRJPQQXRBI-OAHLLOKOSA-N 382.847 4.695 0 40 GJAB COc1cc(OC)c(NC(=O)N(C)Cc2ccc(SC)cc2)cc1Cl 40103505 IFWUWVCJYDQQEP-UHFFFAOYSA-N 380.897 4.743 0 40 GJAB CC(=O)Nc1ccc(NC(=O)CCCCc2ccc(Br)cc2)cc1 40127995 IZOXFZRESVMXDN-UHFFFAOYSA-N 389.293 4.759 0 40 GJAB Cc1ccc(-c2csc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)n2)cc1C 40155149 LKTLCPDKCWYDII-LJQANCHMSA-N 377.469 4.883 0 40 GJAB CC[C@H](c1ccc(F)cc1)N(CC(=O)Nc1cc(C)on1)Cc1cccc(F)c1 48354195 ZGKRAJRQAKBJCH-HXUWFJFHSA-N 399.441 4.853 0 40 GJAB O=c1[nH]c(CN2CCC[C@@H]2c2cccs2)nc2scc(-c3ccco3)c12 58160612 HHLBHGGPZVAGMF-CYBMUJFWSA-N 383.498 4.643 0 40 GJAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 64828230 ILWPSETZAFWGNG-UHFFFAOYSA-N 380.410 4.819 0 40 GJAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cc(Cl)ccc1F 67295588 CHXKNRASCNRVKI-DAFNUICNSA-N 396.805 4.981 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](c2csc(Nc3cc(F)ccn3)n2)C1 72359896 ODQSOCSFRRIFEG-LBPRGKRZSA-N 378.473 4.535 0 40 GJAB Cc1ccnc(NCc2cccc(C(=O)N[C@H](C)c3ccccc3Cl)c2)n1 95467401 YQGUVGGIIBXDLK-OAHLLOKOSA-N 380.879 4.542 0 40 GJAB O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccn(Cc2ccccc2)c1 96005788 FKJXCLAMTFHZJG-UHFFFAOYSA-N 394.434 4.992 0 40 GJAB Cc1ccc(C(=O)OCCc2sc[n+](Cc3ccc(Cl)cc3)c2C)cc1 98086550 ZGQCZKWBYGTCJR-UHFFFAOYSA-N 386.924 4.754 0 40 GJAB OC1(c2ccccn2)[C@@H]2CCC[C@@H]1CN(Cc1cccc(Cl)c1Cl)C2 100148868 SKMJAVSQFYVUKD-HZPDHXFCSA-N 377.315 4.508 0 40 GJAB Cc1scc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)c1C 100155988 JPHHKVQSWGOYIV-IYBDPMFKSA-N 396.516 4.514 0 40 GJAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OCc3ccc4ccccc4c3)cc1)[C@H]1C=C[C@H]2C1 100390319 RFOSGQPYOSFPEK-TZYAJKAJSA-N 395.458 4.730 0 40 GJAB C[C@H]1CCCCN1Cc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1 108252400 ISSLMESDOVRNDF-KRWDZBQOSA-N 392.478 4.638 0 40 GJAB O=C(COc1cccc2ccccc12)NCCSCc1ccc(Cl)cc1 218908699 UPYGSRLVKAXXRF-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224614530 ATKAUMSPKHQQND-UHFFFAOYSA-N 394.707 4.871 0 40 GJAB O=C1CCCN1c1ccc(NC(=S)NCCCSC2CCCCC2)cc1 225591446 FKPMRNNDXWVSFM-UHFFFAOYSA-N 391.606 4.556 0 40 GJAB Cc1ccc2c(c1)[C@H](NC(=O)Cc1cccc(Br)c1)CC(C)(C)O2 225621594 SAHNYULKUNNFBH-QGZVFWFLSA-N 388.305 4.719 0 40 GJAB S=C(NCc1nc(-c2ccccc2Cl)no1)Nc1cccc(Cl)c1 225818549 LDRZPPLCHOYKBS-UHFFFAOYSA-N 379.272 4.530 0 40 GJAB COc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)c2ccccc12 225919748 RCQVQZQSPXPSJL-UHFFFAOYSA-N 395.430 4.678 0 40 GJAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1 244512397 ZNOZOCDWFZZYOT-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB Cc1noc(C)c1COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1 257324662 WPQCTUIHEOMEBW-PGDPNNLMSA-N 397.515 4.745 0 40 GJAB Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 409180614 XGUFSEVNMJOXCS-UHFFFAOYSA-N 397.814 4.516 0 40 GJAB Cc1ccc(SCCNC(=O)Nc2cccc(OCc3cccnc3)c2)cc1 505807060 OKRMQQUURANALV-UHFFFAOYSA-N 393.512 4.883 0 40 GJAB Cc1ccc(Nc2nc(-c3cccnc3)nc3c2CCC3)cc1OCC(F)F 1639407082 UATIBIJOUHOUIC-UHFFFAOYSA-N 382.414 4.723 0 40 GJAB Fc1ccc(Cc2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cc1 632813 QODAZDNWGACGRX-UHFFFAOYSA-N 379.247 4.890 0 40 GJAB Cc1ccc(C(=O)Nc2c(C)cc(-c3ccc(Br)cc3)oc2=O)cc1 1398214 QJKJRKNCUNVEHD-UHFFFAOYSA-N 398.256 4.938 0 40 GJAB Cc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1 1402847 PDHXEHPBQZRXBK-UHFFFAOYSA-N 379.268 4.592 0 40 GJAB COc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 1447986 BTQRZBRZWFFMKU-UHFFFAOYSA-N 386.403 4.996 0 40 GJAB biogenic CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=S)Nc1ccc(F)cc1 2349861 HFSIYVVIBDYZAP-UHFFFAOYSA-N 391.855 4.946 0 40 GJAB CCN(CC)c1ccc(SC(C(=O)OC)(C(F)(F)F)C(F)(F)F)cc1 2352957 QCQUMSKBTRRHQO-UHFFFAOYSA-N 389.361 4.661 0 40 GJAB O=C(Nc1ccccc1C(=O)Nc1cccc(Br)c1)c1ccccc1 3096860 SGWWLBWHVRQUDA-UHFFFAOYSA-N 395.256 4.954 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(C)s1)CC2 3225646 UXECZSMLICNMAR-HXUWFJFHSA-N 399.537 4.923 0 40 GJAB COc1ccc(C)cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 3432826 QINCRHODZSMDLU-FQEVSTJZSA-N 388.467 4.504 0 40 GJAB CCCCCCc1cc2cc(C(=O)NCc3ccccc3)c(=N)oc2cc1O 4069903 RLVFMXKTONSNPK-UHFFFAOYSA-N 378.472 4.671 0 40 GJAB CN(C)CCCN(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4214899 FMTFZYKYVZBISL-HUVRVWIJSA-N 388.640 4.562 0 40 GJAB biogenic,in-man CCN(CC)CCCNc1c2c(nc3cc(-c4ccc(F)cc4)nn13)CCCC2 4980648 CQYQBZAEDLXQIK-UHFFFAOYSA-N 395.526 4.558 0 40 GJAB O=C(/C=C/c1ccccc1F)OCc1ccc(C(=O)Nc2ccccc2)cc1 5078711 YSLSNICNIIDALV-CCEZHUSRSA-N 375.399 4.835 0 40 GJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@H](C)c3ccccc3)c(Cl)c12 5313777 YNRPUBCQKBKHJA-CQSZACIVSA-N 390.874 4.873 0 40 GJAB Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)c2cccs2)c(C)c1 5451507 KYZSCKKPUBHCAG-HSZRJFAPSA-N 390.508 4.944 0 40 GJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(SC)cc1 6753007 OAKSZCFFLZBAPI-OAQYLSRUSA-N 393.512 4.850 0 40 GJAB Cc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1Cl 6866151 XVWILPOCEMQMJS-NVNXTCNLSA-N 376.637 4.755 0 40 GJAB COc1ccc(CCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 6896266 QRIAIAXBVVOZFJ-UHFFFAOYSA-N 386.447 4.625 0 40 GJAB Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)c(O)c1 7783662 FPDFVKYGMNILBX-UHFFFAOYSA-N 391.084 4.539 0 40 GJAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc2ccccc2c1 7841907 HRDVFHHHDJXACQ-UHFFFAOYSA-N 380.875 4.902 0 40 GJAB COc1ccc(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1F 7920206 CBPZVPVWJPZOIB-UHFFFAOYSA-N 379.387 4.924 0 40 GJAB CCc1ccc(N2C[C@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1 7929121 CPPAHKCZRRRORA-OAQYLSRUSA-N 385.463 4.875 0 40 GJAB CSc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 8049278 PUTRGGXNPFOKNE-UHFFFAOYSA-N 377.556 4.905 0 40 GJAB COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1 9427480 FRRMDXQCTIITJT-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB COc1cccc([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2Cl)c1 10226117 YZVWJCWZUUXIOL-GOSISDBHSA-N 379.287 4.778 0 40 GJAB Cc1ccc2oc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cc(=O)c2c1 11689969 CWIKJEZZXGIBPI-UHFFFAOYSA-N 394.427 4.540 0 40 GJAB O=C([C@H](c1ccccc1)C1CCCC1)N1CCC(n2cnc3cccnc32)CC1 12114693 PTWMDUAZKJEPNK-JOCHJYFZSA-N 388.515 4.569 0 40 GJAB Cc1cc(C)c(-c2csc(NC(=O)Cc3cn4ccccc4n3)n2)c(C)c1 12535911 QTZAUIYBRRRXFQ-UHFFFAOYSA-N 376.485 4.564 0 40 GJAB O=C(CSc1nnc(-c2ccco2)o1)N(Cc1ccco1)C1=CCCCC1 12567301 FUUBQTPAYBIIAT-UHFFFAOYSA-N 385.445 4.501 0 40 GJAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1F 12744569 QRBGNXRCIBASHW-KAMXEHQASA-N 382.460 4.821 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C3=CSC4=NCCCN34)cc2)cc1 12794847 RWSHWTUMVAMNGJ-MRXNPFEDSA-N 393.512 4.508 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 13017312 ANBGOIHEMLIOQV-NSHDSACASA-N 383.300 4.546 0 40 GJAB CC(C)Cc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCCC2 13207218 MSVLWPAYFTUYRF-UHFFFAOYSA-N 387.487 4.855 0 40 GJAB COc1ccc(CCn2c(C)cc(C(=O)Cn3cnc4ccccc43)c2C)cc1 15315417 WTKZIDXTVJGCSN-UHFFFAOYSA-N 387.483 4.589 0 40 GJAB Fc1cc(Br)ccc1NC(=S)NCCSc1ccccc1 18138470 XNNPPNIKVZEXSD-UHFFFAOYSA-N 385.327 4.667 0 40 GJAB COc1ccc(-n2nc(Nc3ccccc3F)c3c2CC(C)(C)CC3=O)cc1 20797042 LXCSCYRKSFFCHJ-UHFFFAOYSA-N 379.435 4.919 0 40 GJAB Cc1cccnc1-n1c(C)c(C)c2c1ncn1nc(-c3ccccc3Cl)nc21 21801589 LXSOZFBRAFNJHL-UHFFFAOYSA-N 388.862 4.709 0 40 GJAB COc1cc(CNCCc2ccccc2F)ccc1OCCc1ccccc1 22107659 LJFIWPWIRHGVMR-UHFFFAOYSA-N 379.475 4.788 0 40 GJAB O=C(Cc1ccccc1F)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 29706499 JSCBOOKBRIGPKH-UHFFFAOYSA-N 398.869 4.645 0 40 GJAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN(C)Cc1ccccc1F 32654921 KETNVPJQWIDPSM-UHFFFAOYSA-N 396.506 4.885 0 40 GJAB O=C1c2ccccc2[C@](O)(c2ccccc2)N1Cc1csc(-c2ccccc2)n1 32938013 HEEITGNYCRHQOK-XMMPIXPASA-N 398.487 4.660 0 40 GJAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 38834227 WITKFYUMONADDU-OAHLLOKOSA-N 393.314 4.853 0 40 GJAB COc1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1OC(F)F 40104541 HSPWKMWGWMHFMX-SNVBAGLBSA-N 386.345 4.800 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C/c3c[nH]c4c(CC)cccc34)N=C2S)cc1 44599034 QELRIECGJQBCFM-UNOMPAQXSA-N 391.496 4.803 0 40 GJAB C[C@@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2C(F)(F)F)o1 58791421 AJNGRYTXNMCFSY-DOMZBBRYSA-N 399.434 4.775 0 40 GJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN([C@H]1CCCc2ccccc21)C3 61997635 ZLCWWBDENHTLHN-NRFANRHFSA-N 375.468 4.948 0 40 GJAB biogenic O=C(c1cnc2ccc(F)cc2c1NCc1ccccc1Cl)N1CCCC1 67288245 PTXJEJADDSETCD-UHFFFAOYSA-N 383.854 4.875 0 40 GJAB Cc1csc(C2(NC(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)CCC2)n1 72313560 UVLOKFFNABXDOJ-UHFFFAOYSA-N 398.454 4.737 0 40 GJAB O=C(Nc1c(F)cc(Br)cc1F)c1cccc(Br)c1 78876655 NGHOOBBOCZZKIE-UHFFFAOYSA-N 391.009 4.742 0 40 GJAB O=C1CCCC[C@@H]1[C@H]1CCCCCN1C(=O)c1csc(Br)c1 79066570 IFTJFAAXFKZOQF-ZIAGYGMSSA-N 384.339 4.655 0 40 GJAB Cc1nc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)sc1Cc1ccccc1F 84064478 NKSFBPXTCGXYSK-GOSISDBHSA-N 395.459 4.638 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccccc1Br)N1CCC[C@@H]1Cc1ccccc1 84525714 HUUODBQVWVZRDT-BHIYHBOVSA-N 384.317 4.786 0 40 GJAB Cc1cccc(NC(=O)[C@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)c1 96037485 QEEDIBBNUDDKNO-HSZRJFAPSA-N 388.515 4.511 0 40 GJAB O=C(OCC(=O)N1c2ccccc2CCc2ccccc21)c1ccccc1Cl 105630631 CCINTJHOKKCSCK-UHFFFAOYSA-N 391.854 4.960 0 40 GJAB C[C@H](CC(=O)NCc1cccs1)CC(=O)Nc1cccc(Cl)c1Cl 199419962 FPNRCMWPEKDOBO-LLVKDONJSA-N 385.316 4.726 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219565758 BCHZGTKGVRVOQH-MSOLQXFVSA-N 383.488 4.580 0 40 GJAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 222841725 HHTBBZRILYMCHM-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)c1 222931854 SPPJYFRVGZFWAP-FQEVSTJZSA-N 383.488 4.957 0 40 GJAB COc1ccc(C(=O)N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 223123352 OPUCISPXHBUNHT-UHFFFAOYSA-N 394.515 4.618 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(C)c2)c(C)c1 223584071 HAZYBJFXVQHWKL-JOCHJYFZSA-N 395.524 4.688 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224468768 GMPNDWGROMNBIU-OAQYLSRUSA-N 383.532 4.954 0 40 GJAB CC(C)(C)c1ccc(/C=C/C(=O)NCC2(c3ccccc3)CCOCC2)cc1 224612337 PVJBAAFENKGTNA-SDNWHVSQSA-N 377.528 4.862 0 40 GJAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1ccc2ccccc2c1 224647656 WNBFHMZZRSDRCY-KRWDZBQOSA-N 393.483 4.582 0 40 GJAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1)c1ccccc1 224874887 FVAQMJDJPZMKPL-CQSZACIVSA-N 399.288 4.914 0 40 GJAB Cc1cccc(CCC2(NC(=S)Nc3ccc4c(c3)OCCO4)CCCC2)c1 225858025 XTGIRQQDIFSBMT-UHFFFAOYSA-N 396.556 4.998 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C)cc(N)cc2Br)c1 227145273 FUGWXCOIIZTSKT-UHFFFAOYSA-N 391.309 4.789 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 257290423 QCXCNIIMBOLHJQ-LJQANCHMSA-N 381.863 4.600 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1nccs1 260775150 PNMUDKSBEINCEP-FSPWUOQZSA-N 395.557 4.535 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c(Cl)c1 408627233 LMYPCAJMHDIGTL-UHFFFAOYSA-N 389.691 4.788 0 40 GJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 408678763 VDKLHMFXMSXVKG-KRWDZBQOSA-N 398.462 4.675 0 40 GJAB O=C(NCCc1ccc(-c2ccsc2)s1)c1ccc(C(F)(F)F)nc1 575414014 IYQSTFUXMNNULZ-UHFFFAOYSA-N 382.432 4.863 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1csc(-c2ccccc2)n1 585148302 XOUGAAGFUBTQCI-LJQANCHMSA-N 390.464 4.534 0 40 GJAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1 1565524178 DXIGJMSMWBQFCN-UHFFFAOYSA-N 379.489 4.748 0 40 GJAB C[C@]12C[C@@H]3N[C@H]1CCC[C@H]2N(C(=O)c1cc2ccccc2[nH]1)[C@H]3Cc1ccccc1 2037845611 DXVHUTRVUSOVAN-LSHRBJLDSA-N 399.538 4.524 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc(Cl)c2)c(C)c1 925054 YQSOJDUYPFFTNA-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1cccc2c1-c1ccccc1C2=O 988432 KTFONOQGLRYRBU-UHFFFAOYSA-N 378.225 4.913 0 40 GJAB CC1=CC[C@](C(=O)O)(C(=O)NCc2ccccc2)[C@H](c2ccc(Cl)cc2)C1 1085993 WQJKFIJPSPUYME-SIKLNZKXSA-N 383.875 4.551 0 40 GJAB COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3F)no2)c1 2329379 GXDAUIATKCYDHB-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB CC1(C)Cc2c(sc3nc(SCCCc4ccccc4)nc(N)c23)CO1 2420032 FTOBZVVQJAYUJI-UHFFFAOYSA-N 385.558 4.850 0 40 GJAB Cc1ccccc1COc1ccc(-c2nc(N)ncc2-c2ccccc2)c(O)c1 2449881 TUJPJECBPDVCPM-UHFFFAOYSA-N 383.451 4.986 0 40 GJAB biogenic COCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 2714678 LVXVZHMQCOWRIY-UHFFFAOYSA-N 388.471 4.545 0 40 GJAB O=C(NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1)c1cccc(Cl)c1 4315798 FBOGWPVOWWAHRC-UHFFFAOYSA-N 392.311 4.906 0 40 GJAB CCOc1cccc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c1OC(C)=O 4881881 MRQOLGMQAOWNCE-WYMLVPIESA-N 391.423 4.655 0 40 GJAB CCCN(CCC)C(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 5146429 FPGFCCSLDJNQTO-UHFFFAOYSA-N 375.925 4.907 0 40 GJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccco3)c2C(N)=O)C1 5453939 VSTHZHPJBSSOBH-AORWBKJGSA-N 386.517 4.633 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(C)s1)c1ccccc1 5974491 FHGYPWBMJMTXMP-HXUWFJFHSA-N 395.480 4.910 0 40 GJAB CCOc1ncccc1C(=O)Oc1ccccc1-c1nc2ccccc2s1 6308885 WNDSADVHPYGWFO-UHFFFAOYSA-N 376.437 4.976 0 40 GJAB COc1ccccc1OCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 6578517 MHEMMZPLXVSHPG-UHFFFAOYSA-N 396.424 4.689 0 40 GJAB CNC(=O)c1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 7278996 DTPIKKYHVMQZJW-JOCHJYFZSA-N 383.451 4.564 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2cc(C)ccc2C)cc1OC 7599205 QWNHNEOFZUGHSA-UHFFFAOYSA-N 378.266 4.726 0 40 GJAB COc1ccc(-c2csc3ncnc(N(C)CCOc4ccccc4)c23)cc1 7814417 MEYMDSPNQRCWKS-UHFFFAOYSA-N 391.496 4.882 0 40 GJAB FC(F)(F)c1nc(NC[C@@H](c2cccs2)N2CCCC2)c2ccccc2n1 8325930 QGZXBSZBQQLUSS-HNNXBMFYSA-N 392.450 4.959 0 40 GJAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccccc2F)n1C1CC1 9637213 ZUZKISRKZVWCIT-UHFFFAOYSA-N 397.475 4.923 0 40 GJAB Cc1cc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c2cnn(C(C)C)c2n1 10964201 YHLFXHNGVRGQSZ-UHFFFAOYSA-N 391.302 4.900 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C)Cc1c[nH]c2ccccc12 12409249 TYIXRLARILIRCW-AWEZNQCLSA-N 375.497 4.961 0 40 GJAB CCOc1ccc(-c2cc(-c3nc(-c4ccc(OCC)cc4)no3)[nH]n2)cc1 12415144 AMVRCYYRZGDDLF-UHFFFAOYSA-N 376.416 4.591 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Br)cc3)cc2)cs1 12614180 SVOXHDYSCDEBSX-UHFFFAOYSA-N 387.302 4.811 0 40 GJAB Cc1c(NC(=O)C[C@@H]2C=CCC2)cccc1C(=O)N1CCc2sccc2C1 13015030 BMUXKQIRBZGXOE-MRXNPFEDSA-N 380.513 4.550 0 40 GJAB CCN(CC)c1ncnc2c1oc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 13207123 HFUYZIJCCVQGKC-UHFFFAOYSA-N 382.508 4.667 0 40 GJAB Cc1cc(C)c(-c2ccc(SCC(=O)N3CCc4ccccc43)nn2)cc1C 13375449 BRUVYAQZILRISS-UHFFFAOYSA-N 389.524 4.750 0 40 GJAB CCn1c(SCc2cc(=O)c3c(C)cc(C)cc3[nH]2)nnc1-c1cccs1 15865288 CQSBBGBKBAPEFY-UHFFFAOYSA-N 396.541 4.777 0 40 GJAB CCCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2Cl)CC1 16678220 OZVXSDUCWDTYGK-UHFFFAOYSA-N 392.330 4.778 0 40 GJAB Cc1cccc(NC(=O)CN(C)C(=O)c2sc3ccccc3c2Cl)c1C 18041305 HIILTIJRSOWQGZ-UHFFFAOYSA-N 386.904 4.882 0 40 GJAB CCn1ncc(-c2cc(C(=O)N[C@@H](C)c3cc4cc(Cl)ccc4o3)no2)c1C 19524044 CQQUHNFVNNPIED-NSHDSACASA-N 398.850 4.757 0 40 GJAB COCc1c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)noc1C 19718598 ONPPBZLMCCXVIV-UHFFFAOYSA-N 379.441 4.658 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)c1 20493636 CLHUSOCEYSVVEY-GOSISDBHSA-N 375.852 4.621 0 40 GJAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 21545427 BNXXEODVLFHTRX-UHFFFAOYSA-N 389.864 4.520 0 40 GJAB COc1ccccc1-n1c(C)c(C)c2c1ncn1nc(-c3cccc(C)c3)nc21 21801220 BUHQFRMBSSPDLE-UHFFFAOYSA-N 383.455 4.669 0 40 GJAB Cc1noc(CSc2ccccc2C(=O)N[C@@H]2CCSc3ccccc32)n1 22523591 NQBXBXXNXGNKBM-MRXNPFEDSA-N 397.525 4.637 0 40 GJAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(Cl)s4)cs3)ccc21 23655612 LHVJEVALUFMUIL-UHFFFAOYSA-N 389.893 4.542 0 40 GJAB CC(C)[C@@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 24702778 YRLOWYPHODPAQE-GOSISDBHSA-N 375.312 4.577 0 40 GJAB COc1ccccc1[C@H](C)N(C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C 25111792 HRODFMMRFJRLIQ-AWEZNQCLSA-N 388.533 4.883 0 40 GJAB C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)c1ccc2c(c1)NC(=O)CO2 26040134 GXAJHHJLVFPCCP-LBPRGKRZSA-N 396.493 4.505 0 40 GJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccccc1Br 28220301 MRJMAXNQJILIGA-UHFFFAOYSA-N 390.668 4.600 0 40 GJAB CC(C)C(=O)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 28293972 BCNXVPGZEYUASC-LLVKDONJSA-N 377.621 4.586 0 40 GJAB O=C(CCc1ccc2c(c1)OCO2)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 30300643 IECZWIZSMCBVCL-UHFFFAOYSA-N 391.389 4.558 0 40 GJAB CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1-c1ccc(F)cc1 32604141 NKVVZDYPIPUTFR-UHFFFAOYSA-N 398.507 4.638 0 40 GJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1cccc(C)c1C 33317623 LDUOPIZAZCWSDH-NRFANRHFSA-N 391.515 4.806 0 40 GJAB COc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 40161259 AXTJRSJRUNDASA-FQEVSTJZSA-N 386.455 4.677 0 40 GJAB Cc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1Br 50547792 NPOMCKVZQCUXCB-DHDCSXOGSA-N 389.274 4.852 0 40 GJAB C[C@@H](N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1cc(F)ccc1F 57452030 GZIVWNPYFBUNDP-CWTRNNRKSA-N 390.430 4.872 0 40 GJAB C[C@@H](Sc1nncn1[C@H](C)c1ccccc1)C(=O)Nc1ccccc1Cl 58018161 YSBQPPUODALHSO-ZIAGYGMSSA-N 386.908 4.660 0 40 GJAB O=C(c1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1)N1CCCCCC1 65592179 ADDKOEFSCUYZRJ-UHFFFAOYSA-N 394.490 4.902 0 40 GJAB C[C@H](Nc1c(C(=O)N2CCCC2)cnc2ccc(F)cc12)c1ccc(F)cc1 67288274 SFWQYCOWKYMUNS-AWEZNQCLSA-N 381.426 4.922 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)C12CCCCC2 72400499 FBEPIJCMTHMDHT-DYESRHJHSA-N 391.515 4.761 0 40 GJAB O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1cc2c(s1)CCC2 84404904 GYHWEKMQSROXRN-UHFFFAOYSA-N 391.418 4.753 0 40 GJAB O=C(O)c1cc(-c2cccc3cnccc23)nc2ccc(Br)cc12 85400094 GSFZGYBQZXSYSS-UHFFFAOYSA-N 379.213 4.911 0 40 GJAB CC(C)c1sc(Br)nc1C(=O)Nc1nc2ccccc2s1 95478785 XCWFGDXDWREHQK-UHFFFAOYSA-N 382.308 4.891 0 40 GJAB O=C(O)c1ccc2c(c1)C1(CCCCC1)CN2C(=O)c1ccc2ncccc2c1 96088485 SRQKCLPJMZSLGB-UHFFFAOYSA-N 386.451 4.795 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H](C)SCc2ccccc2)sc2c1CCC2 103795348 VXMZGZHCVXCRCN-CYBMUJFWSA-N 389.542 4.674 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)ccc1Cl 222852198 FMCUFABPAYYQNZ-KRWDZBQOSA-N 389.923 4.952 0 40 GJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 224209672 DJWZTLUXNNUMGF-LEWJYISDSA-N 376.529 4.950 0 40 GJAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C 224396408 UWHROEINNMNWGZ-LEWJYISDSA-N 394.519 4.836 0 40 GJAB CCCCOCc1cc(C(=O)NCc2ccccc2Cl)ccc1OCC 224724277 TXFFHMJQIKWIKK-UHFFFAOYSA-N 375.896 4.985 0 40 GJAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Br)cc1 224731293 CJEDSFBVTDHYBP-UHFFFAOYSA-N 388.714 4.626 0 40 GJAB COc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1F 225388869 WGRRQKRASMVLLM-UHFFFAOYSA-N 388.291 4.804 0 40 GJAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C 225572443 KBBPMDSTDOPHJT-UHFFFAOYSA-N 385.479 5.000 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)c1ccccc1 225814464 KQFDRYLJJRKPSX-UHFFFAOYSA-N 399.368 4.954 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 226306637 KHEKZICVBGOLLE-UHFFFAOYSA-N 391.448 4.569 0 40 GJAB O=C(CSc1ccc(F)cc1)N1CCC(Oc2cccc3cccnc23)CC1 238958749 YFUVJMYOFXCIIY-UHFFFAOYSA-N 396.487 4.536 0 40 GJAB CCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)c(OC)c2)N1 408989106 JWUTZLHWRCYUSO-HXUWFJFHSA-N 395.528 4.670 0 40 GJAB O=C(c1ccccc1SC(F)F)N1CCC[C@@H](Oc2ccncc2Cl)C1 575612257 KKOWNSDDBVFFJH-GFCCVEGCSA-N 398.862 4.733 0 40 GJAB C[C@@H](Cc1ccncc1)NC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1 622414636 GEDWCXLLCOOPOV-KRWDZBQOSA-N 389.499 4.927 0 40 GJAB CC(C)(CO)NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1251895574 YAJNNAIBAZZMMP-UHFFFAOYSA-N 391.511 4.705 0 40 GJAB Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4Cl)cc3C2=O)cc1 644556 JVEPJCIBNMEZTL-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@H]3C2=O)cc1C 714084 RYONNDPMDXKLEE-AYIBLLACSA-N 393.486 4.874 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)cc1C 897345 QTWZYLJJYPOTTL-UHFFFAOYSA-N 387.892 4.927 0 40 GJAB COc1cc(NC(=O)c2ccc(C)cc2Cl)ccc1NC(=O)c1ccco1 1411754 YSYIVDDRGJHVDE-UHFFFAOYSA-N 384.819 4.755 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3C)n2)cc1 2231830 POEMIYXPNUASHH-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB CC(C)Cn1c(N)c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc21 2260958 VCHKEOLLNYTAMU-UHFFFAOYSA-N 393.878 4.728 0 40 GJAB CCOc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1 2723059 RJUNGGGZMONRCK-UHFFFAOYSA-N 381.501 4.619 0 40 GJAB Fc1ccccc1N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 2889006 DVGHYPMXNYWHRP-UHFFFAOYSA-N 390.487 4.824 0 40 GJAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@@H](c1cccs1)N1CCCC1 3261400 OBFOYEVPUNNBPG-GUYCJALGSA-N 382.451 4.722 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H](C)Nc2cccc(C)c2)sc2c1CCCC2 3285857 NRWDHFTZCIZKHQ-AWEZNQCLSA-N 386.517 4.551 0 40 GJAB CNC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc(C)c1C 4570433 HEPGGKKXTXFCAO-UHFFFAOYSA-N 380.469 4.769 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nncn1-c1cccc(OC)c1 4843764 DZPKHTHPAIUITQ-OAHLLOKOSA-N 396.516 4.520 0 40 GJAB CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 4898821 KYDXLYCZFCDKCN-NRFANRHFSA-N 379.479 4.571 0 40 GJAB CCCC(CCC)C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1 5240113 YYBCQKRINAPNAD-UHFFFAOYSA-N 377.488 4.849 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)CSc3nc4ccccc4s3)c2C)no1 5629382 BNYGABCJGOLLRR-UHFFFAOYSA-N 383.498 4.975 0 40 GJAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1)oc1ccccc12 6065650 LREPUNUAYNCOPM-CQSZACIVSA-N 389.407 4.779 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 6085648 QUUFTICYPJCAPF-UHFFFAOYSA-N 379.456 4.592 0 40 GJAB Cc1ccccc1CSc1nnc([C@H]2CCCN2C(=O)OC(C)(C)C)o1 6302789 LOKCXGFNVMTOMQ-OAHLLOKOSA-N 375.494 4.742 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)n1 6835758 KWNUESIMALUCPQ-UHFFFAOYSA-N 388.240 4.643 0 40 GJAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1cc(F)ccc1F 7014643 PFKGBVFUHUIPFA-UHFFFAOYSA-N 395.481 4.672 0 40 GJAB COc1cc(COC(=O)/C=C/c2nc3ccccc3s2)ccc1OC(F)F 7393381 OYDYKSPCXYZJJY-CMDGGOBGSA-N 391.395 4.663 0 40 GJAB COc1ccc(Cc2nnc(SCc3cc(-c4ccccc4)on3)o2)cc1 7414945 XCKQNVNXPRHVLD-UHFFFAOYSA-N 379.441 4.616 0 40 GJAB O=C(O)c1ccc2c(=O)[nH]c(/C(Cl)=C/c3ccc4ccccc4c3)nc2c1 7502955 ZPWSDRWJOWJVIO-YVLHZVERSA-N 376.799 4.511 0 40 GJAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c1OC 7884697 BHCKFLHDNLETJU-HSZRJFAPSA-N 388.467 4.513 0 40 GJAB CC[C@H](NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)c1ccc(OC)cc1 9793265 RLDMYCWVESQPHQ-SIKLNZKXSA-N 398.503 4.614 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 10109655 IIJBWQNXDOTRSI-UHFFFAOYSA-N 386.499 4.859 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 10292643 SWGSHBMPUBHLOH-JOCHJYFZSA-N 399.535 4.805 0 40 GJAB O=C(/C=C/c1cccnc1)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 12242824 CQSSUQLPIOZWKL-WHLIDYPQSA-N 396.899 4.597 0 40 GJAB COc1ccc(CC(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn23)cc1F 12507685 BDWUUNYAMGTQTF-UHFFFAOYSA-N 389.430 4.639 0 40 GJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1csc(-c2ccccc2)n1 12525585 JOLRZNIMJFILNH-UHFFFAOYSA-N 398.438 4.827 0 40 GJAB Cc1nn(C)c2sc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc12 12621473 QWTWHOHEKDRDMY-LJQANCHMSA-N 375.497 4.657 0 40 GJAB CC(C)(C)c1noc(CSc2ncc(-c3ccc(Br)cc3)[nH]2)n1 12753896 DTRAVLWWYXQSAB-UHFFFAOYSA-N 393.310 4.812 0 40 GJAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OC[C@@H]3CC3(Cl)Cl)c2C)cc1 12910486 ANGBYDJMCCSQNY-IJDCCNJMSA-N 393.314 4.607 0 40 GJAB O=C(Cc1noc2ccccc12)N1CCc2sccc2[C@@H]1c1cccs1 12940221 YTCUSQQICGJNRR-HXUWFJFHSA-N 380.494 4.668 0 40 GJAB CCOc1cc(C)c(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1C(C)C 14009793 LMZODZJLBRLMEM-UDWIEESQSA-N 396.462 4.749 0 40 GJAB COc1cc2c(cc1OC)CN(C(=O)c1sc3cccc(F)c3c1C)CC2 14242107 OVICVBDFVYTFDC-UHFFFAOYSA-N 385.460 4.565 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 14397190 KDUATAIEASEXNY-LBPRGKRZSA-N 396.270 4.803 0 40 GJAB Cc1cc(C)cc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c1 16839911 MGPISYYFJKMISM-UHFFFAOYSA-N 384.435 4.565 0 40 GJAB O=C(c1ccccc1F)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19347478 WOMUBRHVDGLFPJ-UHFFFAOYSA-N 391.368 4.741 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 19932325 LRXHVWKTNJIRRX-OAQYLSRUSA-N 394.515 4.726 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cn2c3c(cccc3c1=O)CCC2 22235325 UKUGWTBFXXQIDC-UHFFFAOYSA-N 396.446 4.992 0 40 GJAB Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)NC(=O)c2cccs2)cc1 31296946 MHYPXXKOEDKBEX-OAHLLOKOSA-N 380.469 4.606 0 40 GJAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)CC(C)(C)C 32610212 PMGIAOWYFADYNX-UHFFFAOYSA-N 383.414 4.930 0 40 GJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(F)ccc1Br 32841748 XFSRQGWNKSVKNE-KRWDZBQOSA-N 379.273 4.684 0 40 GJAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCO[C@H](c2ccc(F)cc2)C1 40086073 DQVSASKKSQRENK-ACJLOTCBSA-N 375.394 4.705 0 40 GJAB COc1cc(NC(=O)N(C)Cc2ccc(SC)cc2)c(OC)cc1Cl 40103663 FVBWCUYEINNMGL-UHFFFAOYSA-N 380.897 4.743 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(C)cc2)cc1Cl 44901478 XEYKRQBLTYUKRJ-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB NC(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1 45919909 LRJPJRSVDLARIR-UHFFFAOYSA-N 386.032 4.663 0 40 GJAB CC(=O)N(C)c1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 58427069 FABZNUFTMCHUGA-UHFFFAOYSA-N 398.466 4.569 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 61972686 CAQBGSBCACIXSC-UHFFFAOYSA-N 394.496 4.655 0 40 GJAB COc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1OC(F)F 78705990 AGLZSRGKHFSRDI-MRXNPFEDSA-N 381.806 4.831 0 40 GJAB Cc1cc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)ccc1N(C)C 84090307 NLIZRRYLQIUQNV-INIZCTEOSA-N 394.544 4.526 0 40 GJAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1cscn1 84402949 QQFDUSHLNZKHGS-UHFFFAOYSA-N 397.887 4.528 0 40 GJAB O=C(Nc1cccc(Cl)c1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607587 WMOUXEIZGNVMAQ-UHFFFAOYSA-N 399.800 4.829 0 40 GJAB O=C(Nc1ccccn1)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 95481814 HYXURCZMZKVFJF-UHFFFAOYSA-N 376.803 4.704 0 40 GJAB COc1ccc2c(c1Oc1ccccc1)[C@]13CCN(C)[C@H](C2)[C@@H]1[C@H](C)CC(=O)C3 96316420 HLKCYOOWMVLNED-VIPRWQQZSA-N 391.511 4.601 0 40 GJAB biogenic,in-vitro O=C(c1cc2c(c3ccccc13)N[C@@H]1CC[C@]2(C(F)(F)F)O1)C(F)(F)F 100478853 SCSRDRBCRJULEL-WFASDCNBSA-N 375.268 4.904 0 40 GJAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCc1cc(F)cc(F)c1 103098298 IASPJUWZKQERCX-CXTCDGGRSA-N 398.291 4.705 0 40 GJAB O=C1N/C(=N\c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1ccc(O)cc1 110701029 NIRHQEJWNAPCIA-VGOFMYFVSA-N 398.793 4.956 0 40 GJAB COc1ccccc1CCCNC(=O)c1ccccc1OCc1ccccc1 218986309 UEQBZNJFQACZJL-UHFFFAOYSA-N 375.468 4.637 0 40 GJAB CC[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCCC2 223076618 ZNJIGEAPHXJTMY-HXUWFJFHSA-N 377.937 4.790 0 40 GJAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1cccc3c1CCCC3)CC(C)(C)O2 223166804 ODXQPTNTCUECKF-FQEVSTJZSA-N 379.500 4.671 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 223238354 PEHBCYSMAANMPJ-AWEZNQCLSA-N 381.900 4.604 0 40 GJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCOc1ccc2ccccc2c1 223621709 RRXFWOJYNRWVCY-GOSISDBHSA-N 377.484 4.926 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)CCCOc1ccc(Cl)cc1 223699754 HSBIWDOIOONIGL-UHFFFAOYSA-N 389.923 4.992 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1Cl 225301096 DMCYYPCTZREZMG-UHFFFAOYSA-N 386.879 4.663 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 225479446 DYWXUQUNAHOXOH-NZQKXSOJSA-N 394.559 4.568 0 40 GJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225688843 ADCBJVWJXQDTNH-WMZHIEFXSA-N 390.568 4.720 0 40 GJAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 225702674 VCQRGTXMKFVEMF-GOSISDBHSA-N 383.557 4.691 0 40 GJAB COc1cc(/C=C/C(N)=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 226336594 YCCMFZOTDDKSSG-HWKANZROSA-N 386.662 4.733 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccnc(-c2cccnc2)c1 238835651 GPYYEIZOKISBHY-UHFFFAOYSA-N 386.282 4.699 0 40 GJAB COc1ccccc1CN[C@@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1 245227126 BCVSTRYZAONCLL-LOSJGSFVSA-N 386.539 4.843 0 40 GJAB Cc1cc(C)c(S(=O)(=O)N[C@H](c2ccsc2)c2cccs2)cc1C 390826230 FVYUALWYSCTBOP-GOSISDBHSA-N 377.556 4.803 0 40 GJAB Cc1cccc(C(=O)Oc2ccc(/C=C3/N=C(c4cccc(C)c4)OC3=O)cc2)c1 408977939 ZTKPMPJCPVUEDZ-PXLXIMEGSA-N 397.430 4.867 0 40 GJAB CCOC(=O)C1=C(C)N=C(SCc2cccc(C)c2)N[C@H]1c1ccccc1 408987677 GICHFCJPWKONAC-FQEVSTJZSA-N 380.513 4.766 0 40 GJAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(OC)c1 409057909 MVZUHQOHTNCWBJ-SXGWCWSVSA-N 375.833 4.598 0 40 GJAB Cc1ccc(CC(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)s1 1615125689 GIWBBEGPYNCPFN-JOCHJYFZSA-N 386.536 4.788 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CCC[C@](O)(COc3ccc(F)cc3)CC2)cc1 2037912212 GXNQOZDXOPLMSN-XMMPIXPASA-N 399.506 4.559 0 40 GJAB COc1ccc([C@H](O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC 1024720 IVIPOHNOZWHEMV-HNNXBMFYSA-N 380.284 4.823 0 40 GJAB COc1ccc(OC)c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1 1312053 AFFLKDJJUIMCQS-QPJJXVBHSA-N 382.243 4.671 0 40 GJAB COc1ccc(C)cc1NC(=O)c1sc2nc3cc(C)ccc3cc2c1N 1342828 PIIZUZYOIMMFLK-UHFFFAOYSA-N 377.469 4.909 0 40 GJAB COc1cc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)cc(OC)c1 1342871 GRDZHZXJRCDXKX-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB C[C@H]1Cc2ccccc2N1c1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 1464754 FPOWSBSBNCWUCY-LBPRGKRZSA-N 390.917 4.712 0 40 GJAB COc1ccc(C(=O)c2sc(Nc3cccc(C(F)(F)F)c3)nc2N)cc1 2199386 YNCJHPRYXDQKFT-UHFFFAOYSA-N 393.390 4.727 0 40 GJAB COc1ccc(CCn2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 2250877 AXQJNTCLCINQMT-UHFFFAOYSA-N 386.480 4.959 0 40 GJAB CCCCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1C 2364131 ARCSNHKTZYTSBF-UHFFFAOYSA-N 378.472 4.733 0 40 GJAB CCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(C(F)(F)F)c1 2720952 BYVHDIZWQCGGJT-UHFFFAOYSA-N 389.402 4.998 0 40 GJAB Cc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1C 2919607 FTFNSWZPOJLMFL-MSOLQXFVSA-N 383.293 4.804 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NCCSc1ccc(Br)cc1 3105111 MGGOMPFGBTZXTF-UHFFFAOYSA-N 384.726 4.554 0 40 GJAB O=C1c2ccccc2-c2nn(C(=O)c3cc4c(s3)CCCC4)c3cccc1c23 3180373 KYABTPYNQJDBPD-UHFFFAOYSA-N 384.460 4.877 0 40 GJAB Cc1sc2ncnc(SCC(=O)Nc3ncc(Cl)cc3Cl)c2c1C 3256680 WBRGDXSUPONWRV-UHFFFAOYSA-N 399.328 4.741 0 40 GJAB Cn1c(-c2ccccc2)c(C(=O)C(=O)N2CCc3ccccc32)c2ccccc21 4622678 QWVUQWGNYGJQMF-UHFFFAOYSA-N 380.447 4.617 0 40 GJAB O=c1cc(CSc2nn(-c3ccccc3)c(=S)s2)c2ccccc2[nH]1 4625769 WKZDMZJWFZRLFG-UHFFFAOYSA-N 383.523 4.797 0 40 GJAB NC(=O)c1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)sc2c1CCCCC2 4681670 WIYREHRIBPHCKI-UHFFFAOYSA-N 386.561 4.661 0 40 GJAB CC(C)c1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C)CC2)cc1 4935666 HDTLHLDCEKBIJP-QFIPXVFZSA-N 375.516 4.775 0 40 GJAB Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2COc2ccccc2)c1 5366507 ITIWHCHGIJMLFX-SFHVURJKSA-N 389.451 4.758 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CCCOc1cccc(Br)c1 5575704 AZTAEQBFCQZJOY-UHFFFAOYSA-N 398.684 4.909 0 40 GJAB COc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1 5577084 DHAYBWULHPUJLS-XHEFNCKESA-N 384.476 4.776 0 40 GJAB CC1(C)Cc2c(sc3[nH]c(=S)n(-c4ccc(Cl)cc4)c(=O)c23)CO1 5862409 KYGOLBXGKJMMBW-UHFFFAOYSA-N 378.906 4.614 0 40 GJAB Cc1ccc(-c2nnc(SCc3nnc(C)o3)n2-c2ccc(Cl)cc2)cc1 6648508 GVVOXKRHJNBUEN-UHFFFAOYSA-N 397.891 4.880 0 40 GJAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCC(c2ccccc2)=N1 7060074 WUPRXJQGHPUKOS-UHFFFAOYSA-N 397.500 4.678 0 40 GJAB C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 7617119 YWFJHSVGGULCCO-CQSZACIVSA-N 390.512 4.527 0 40 GJAB COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cc(Cl)c1O 7748839 IRRJLXPTYBYFAZ-XYOKQWHBSA-N 381.815 4.787 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 7988678 MNMDQCSMBTUSPY-AWEZNQCLSA-N 380.469 4.500 0 40 GJAB Nc1c(C(=O)N2CCCC2)sc2nc(-c3cccs3)c3c(c12)CCCC3 8036216 UUMRTRLJAWAHEG-UHFFFAOYSA-N 383.542 4.722 0 40 GJAB Cc1nc(COc2ccccc2C(=O)N[C@H]2CCCc3ccccc32)cs1 8327855 KUVYRSMBBKKQNR-FQEVSTJZSA-N 378.497 4.838 0 40 GJAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1Cl 9233653 NPGWGGRJUCIMTH-UHFFFAOYSA-N 382.891 4.932 0 40 GJAB Cc1ccc(OCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c2c1[C@@H](C)CC2=O 11052946 REKSUVGBHVQOOI-WNSKOXEYSA-N 383.463 4.716 0 40 GJAB O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N1CCCCCCC1 11290504 XOPHLJVDDCFVLD-UHFFFAOYSA-N 384.480 4.541 0 40 GJAB COc1cccc(-c2[nH]ncc2CNC2(c3ccccc3OC)CCCC2)c1 12116975 ODPOVJITYAGWPU-UHFFFAOYSA-N 377.488 4.653 0 40 GJAB CN(C)[C@@H](CNC(=O)Cc1cccc2ccccc12)c1c(F)cccc1Cl 12763868 YFOMQCAWXIHMFA-FQEVSTJZSA-N 384.882 4.594 0 40 GJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCC12CC3CC(CC(C3)C1)C2 12786425 OGOKSRJSCVGJRU-UHFFFAOYSA-N 388.577 4.987 0 40 GJAB COc1ccc([C@H](CNC(=O)/C=C/c2cccc(Cl)c2)N2CCCCC2)cc1 13095746 HTJVMZFAFQWETM-SYZXBLONSA-N 398.934 4.705 0 40 GJAB Cn1c(NC(=O)c2ccccc2Cl)c(-c2ccccn2)c(=O)c2ccccc21 13207146 UHDAPLLJZNLZRQ-UHFFFAOYSA-N 389.842 4.506 0 40 GJAB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCc1ccco1 14113676 GHJMFGSCOGUKMC-UHFFFAOYSA-N 391.858 4.645 0 40 GJAB Cc1sc2nc(-c3ccccc3)nc(Oc3ccc(C(N)=O)cc3)c2c1C 15129645 CIKQVFKKFJXKMI-UHFFFAOYSA-N 375.453 4.866 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2ccccn2)cc1C 16180100 GDVKSGDSFDBOHH-UHFFFAOYSA-N 396.494 4.823 0 40 GJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 16610552 GEJXDBCHKSEZKE-CYBMUJFWSA-N 397.500 4.786 0 40 GJAB CC(=O)c1cccc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)c1 16850364 TUJADBOPQAACCQ-UHFFFAOYSA-N 385.876 4.924 0 40 GJAB Cc1ccc([C@H](NC(=O)CCc2ccc3c(c2)C[C@H](C)O3)c2cccnc2)cc1 19136654 IHXHKUMAIFUSHL-BVZFJXPGSA-N 386.495 4.552 0 40 GJAB CCc1cccc(C)c1NC(=O)CCCc1nc(-c2ccccc2OC)no1 19816342 PNYCWHKSDPIWSY-UHFFFAOYSA-N 379.460 4.577 0 40 GJAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 20488338 QHUFIXKBOFMTHK-HUUCEWRRSA-N 391.895 4.619 0 40 GJAB O=C(N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1)c1cccs1 20509628 FBBZRRPBIMXPAJ-QGZVFWFLSA-N 395.871 4.971 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n(C[C@H]2CCCO2)c1C 21569324 YJOWYRVKZXUJQK-JKSUJKDBSA-N 383.517 4.524 0 40 GJAB S=C1N(c2ccccc2)CN(CCc2cccs2)CN1c1ccccc1 22362920 PKBXNCJFBNWIKF-UHFFFAOYSA-N 379.554 4.819 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccco2)no1 22462142 JTQGFNXBGCAFFY-UHFFFAOYSA-N 379.803 4.831 0 40 GJAB O=C(NCc1coc(-c2cccs2)n1)c1cccnc1Sc1ccccc1 22508503 POAKTUVLOWBCSV-UHFFFAOYSA-N 393.493 4.879 0 40 GJAB CCOc1ccccc1N1CCN(Cn2c(=S)sc3ccccc32)CC1 23479633 ULSXVEBPKSXSHG-UHFFFAOYSA-N 385.558 4.611 0 40 GJAB Oc1nc(SCc2ccc(Cl)cc2)nnc1Cc1ccccc1Cl 27526182 KXHFETCWJWUTCF-UHFFFAOYSA-N 378.284 4.767 0 40 GJAB Cc1nc2cc(C(=O)N(C)Cc3ccc(F)cc3F)ccc2n1-c1ccccc1 31048160 FUGYGRJDYWLKDU-UHFFFAOYSA-N 391.421 4.884 0 40 GJAB Cc1ccc(C(=O)c2c(N)c(-c3nc4ccc(C)cc4[nH]3)c3ccccn23)cc1 31848425 MVPVSDPXKGXSCK-UHFFFAOYSA-N 380.451 4.913 0 40 GJAB COc1ccc(C(C)=O)cc1CSCCC(=O)Nc1ccc(Cl)cc1F 32778662 SDWRSWIAPPBRGX-UHFFFAOYSA-N 395.883 4.952 0 40 GJAB CC(=O)Nc1ccc(C(=O)CSc2nccn2-c2cc(C)cc(C)c2)c(F)c1 32801648 QPIGUIAHCDRPDJ-UHFFFAOYSA-N 397.475 4.562 0 40 GJAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1sccc1-c1ccccc1 32983787 AKBALQRKGSMPEE-OAQYLSRUSA-N 376.525 4.982 0 40 GJAB O=C(c1ccc(Cl)s1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 36392802 GMXABBQOOHEASL-UHFFFAOYSA-N 389.904 4.641 0 40 GJAB COc1cccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2Br)c1 40034406 JFCWUOCFYQOGHB-KRWDZBQOSA-N 378.241 4.574 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 40104739 HIUIKYBGTMLOCN-UHFFFAOYSA-N 377.897 4.804 0 40 GJAB C[C@@H](NC(=O)c1ccccc1N(C)C(=O)C1CC1)c1ccc(Cl)cc1Cl 40144709 BTTIIOVUULKPTE-GFCCVEGCSA-N 391.298 4.857 0 40 GJAB O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1cccc(Cl)c1 51315329 OUIQWJJNZKNWRQ-UHFFFAOYSA-N 398.724 4.646 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2cccc(Br)c2)c1C 55785326 MZGKFNWMBFYMLY-INIZCTEOSA-N 389.293 4.574 0 40 GJAB C[C@@H]1CCN(C(=O)CN(C)Cc2nc3ccccc3s2)c2ccccc2S1 57290004 GHYBPNZPEWNNDT-OAHLLOKOSA-N 397.569 4.646 0 40 GJAB CC(=O)c1ccc(SCC(=O)Nc2cc(-n3cccc3)ccc2F)c(F)c1 58225638 MSZUJECAWRZNAS-UHFFFAOYSA-N 386.423 4.689 0 40 GJAB CSc1ccccc1C(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200184 VGCPBKZPNDOCFH-IRXDYDNUSA-N 384.501 4.698 0 40 GJAB C[C@@H](NC(=O)CCCn1ccc2cc(Cl)ccc21)c1nc(C(C)(C)C)no1 89913621 FFBHEVVLDPFVBN-CYBMUJFWSA-N 388.899 4.633 0 40 GJAB O=C(Nc1ncccc1OCc1cccc(Cl)c1)c1ncoc1-c1ccco1 95963015 FSICXINJWIZQKH-UHFFFAOYSA-N 395.802 4.814 0 40 GJAB COCCn1c(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)cc2ccccc21 96223110 JFXBANRSICODHY-HXUWFJFHSA-N 387.483 4.576 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 100623945 LJNDZDTVFGEIRP-DQEYMECFSA-N 399.494 4.800 0 40 GJAB COc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OC(C)C 100765564 BQKKSVWAFAUGSN-SFTDATJTSA-N 399.506 4.636 0 40 GJAB Cc1cccc(-c2noc(CCC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 169890285 YNHOYEOBOMPRHM-UHFFFAOYSA-N 375.350 4.635 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccccc1Cl 219060118 NOQMCIHJRWMFLC-DYVFJYSZSA-N 389.879 4.535 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1 223746366 PCLBSKYDSUUZQB-OALUTQOASA-N 381.526 4.637 0 40 GJAB Cc1cc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1Cl 224261925 WJBMJIPXOKJFQL-UHFFFAOYSA-N 375.896 4.520 0 40 GJAB Cc1ccc(SCCNC(=O)CSCc2ccc(Cl)cc2F)cc1 224282012 UVWBKXYWTYEUBC-UHFFFAOYSA-N 383.941 4.929 0 40 GJAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)N[C@@H](C)c2ccc(F)cc2)n1 225205557 SRFGECHVUDSCCE-ZDUSSCGKSA-N 399.470 4.854 0 40 GJAB O=C(NCc1cccnc1-c1cccs1)c1cccc(OC(F)(F)F)c1 225761450 OEGKMUDYXHHRKW-UHFFFAOYSA-N 378.375 4.639 0 40 GJAB Cc1cncc(C2CCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)CC2)n1 257212216 CCJWXYQMZZJXSZ-UHFFFAOYSA-N 387.483 4.530 0 40 GJAB Cc1ncoc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257236482 HCJUDCIBSZYXSK-QGZVFWFLSA-N 385.851 4.583 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](Cc3ccccn3)C2)cc1 257287678 PRAYSIDUUSIWSQ-FQEVSTJZSA-N 386.495 4.902 0 40 GJAB CCCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1 302767549 MFWMVNOBXBYXAD-UHFFFAOYSA-N 398.484 4.868 0 40 GJAB COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1Cl 408619468 CGUKZKWPGCZWKM-UHFFFAOYSA-N 394.858 4.782 0 40 GJAB COc1cc(CNc2ccc(C)cc2C)cc(I)c1OC 409114113 CJBGRWSDYJCFJH-UHFFFAOYSA-N 397.256 4.537 0 40 GJAB CC(=O)N1CCC[C@H](NCCc2ccc(C)c(C)c2)[C@@H]1Cc1cccc(Cl)c1 585286928 XUYSCIQDARQPCL-ZEQRLZLVSA-N 398.978 4.711 0 40 GJAB CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(C)c2)C3=O)cc1 850651 KLXYWIPUEGGIQW-UHFFFAOYSA-N 386.407 4.546 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)o2)c1 892362 MGHGBZZECOGBPJ-UHFFFAOYSA-N 391.452 4.635 0 40 GJAB CC(C)CN1[C@@H]2CCC[C@@H]1CC(NC(=O)Nc1ccc(C(F)(F)F)cc1)C2 1369619 IXVZENKBECBETE-QZTJIDSGSA-N 383.458 4.868 0 40 GJAB COc1cccc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)c1 1377400 YHZZTBFZEADEMU-UHFFFAOYSA-N 399.541 4.925 0 40 GJAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1 1404161 SHXHLUASDKTVGH-UHFFFAOYSA-N 385.678 4.736 0 40 GJAB Brc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 1425818 YKXXTZUTSWLPTP-UHFFFAOYSA-N 385.290 4.647 0 40 GJAB CCc1nc(SCC(=O)Nc2ccc(C)cc2)c2oc3ccccc3c2n1 2448318 TVUALLJCOFNMTM-UHFFFAOYSA-N 377.469 4.978 0 40 GJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCC(C)C)cc1 2461069 ACCJAYSGIVBESJ-UHFFFAOYSA-N 377.487 4.824 0 40 GJAB O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccsc1 2576695 FQLMDOMRTRHLFX-HXUWFJFHSA-N 393.464 4.803 0 40 GJAB O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc(Br)s1 2723742 JEGJEUOFOOGTQX-UHFFFAOYSA-N 375.219 4.651 0 40 GJAB FC(F)(F)c1nc2ccccc2n2c(-c3ccc(Br)cc3)nnc12 4053029 MKSJACXSBDEHHA-UHFFFAOYSA-N 393.166 4.726 0 40 GJAB Cc1c(CC(=O)NCC(C)C)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 4089960 GKEZJGUBRYYUGU-UHFFFAOYSA-N 389.451 4.829 0 40 GJAB biogenic CCOc1ccccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 4433447 CNOBDDHXIZBNGZ-UHFFFAOYSA-N 385.851 4.750 0 40 GJAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 4735563 GCLKNNCNPBYKJX-NRFANRHFSA-N 375.472 4.977 0 40 GJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)cc1 4948176 WKDVAJISFAPBHE-OAHLLOKOSA-N 395.528 4.659 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2ccccc2CC)cc1OC 5616267 NHNDLJNXOFASEL-UHFFFAOYSA-N 378.266 4.671 0 40 GJAB C[C@H]1CCc2sc(-c3nnc(SCC(=O)c4cccs4)o3)cc2C1 7131780 HHNFJUPGLXUOOB-JTQLQIEISA-N 376.528 4.959 0 40 GJAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 7881948 WISVPLIPNQSSMC-ZDUSSCGKSA-N 377.271 4.547 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc2ccc3ccccc3n12 7997311 BAIXOKXTTCAAQN-UHFFFAOYSA-N 382.876 4.575 0 40 GJAB Cc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1NC(=O)c1ccco1 8268797 JEQGDRDQRRDOQG-CQSZACIVSA-N 380.469 4.661 0 40 GJAB COc1ccc(CN(C)C(=O)c2ccccc2Oc2ccccc2)c(OC)c1 8327678 YCWOXGONURVJQA-UHFFFAOYSA-N 377.440 4.768 0 40 GJAB Cc1cccc(CN2CCC(C(=O)NCCc3ccc(C(C)C)cc3)CC2)c1 9062584 MZSWJRDDOJLGEI-UHFFFAOYSA-N 378.560 4.689 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9901928 XGFCWRLRHDRIDU-MRXNPFEDSA-N 376.500 4.818 0 40 GJAB Cc1ccc2nc(COc3ccc(C(=O)NC4CCCCCC4)cc3)cn2c1 10368183 CEWQGTXIPUUNEK-UHFFFAOYSA-N 377.488 4.674 0 40 GJAB O=C(N1CCC(c2onc3c2CCCC3)CC1)C1(c2ccc(Cl)cc2)CC1 12119805 OWTFNABQWUDKHV-UHFFFAOYSA-N 384.907 4.645 0 40 GJAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3ccncc3)no2)cc1 12185485 KMPULPGLGUDCNJ-HXUWFJFHSA-N 377.444 4.503 0 40 GJAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2F)c1 12801793 KLDYXSZKLZWISM-UHFFFAOYSA-N 393.256 4.825 0 40 GJAB CC1CCC(N(C)CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)CC1 12811982 OZNGVWDDBQFEBD-HTWSVDAQSA-N 385.533 4.529 0 40 GJAB Cc1ccccc1/C=C/c1nc(S[C@@H](C)C(=O)Nc2ccccc2F)n[nH]1 12845654 KDPJPLTXLMBUTA-GETOMWPZSA-N 382.464 4.542 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1Cl 12854689 GXYJEHXOCYYNLH-UHFFFAOYSA-N 386.860 4.915 0 40 GJAB CCOc1c(Br)cc(F)cc1NC(=O)/C=C/c1ccc(OC)cc1 12912485 ISBMVAFJUPRZKO-RMKNXTFCSA-N 394.240 4.647 0 40 GJAB Cc1ccc(Oc2ccccc2NC(=O)[C@H](C)n2c(=O)oc3ccccc32)cc1 14110911 WPVGDJVGVQJYBJ-INIZCTEOSA-N 388.423 4.895 0 40 GJAB O=S(=O)(Oc1ccccc1Cl)c1ccc(Br)cc1Cl 16089607 PGMSKXCPPCXFGN-UHFFFAOYSA-N 382.062 4.524 0 40 GJAB Oc1nc(SC/C=C/c2ccccc2)nc2c1cnn2-c1ccc(Cl)cc1 17178069 ZBQXGJOLJPUUGC-QPJJXVBHSA-N 394.887 4.980 0 40 GJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1ccccc1Br 17964492 LHWWCBRTRZBKFD-NSHDSACASA-N 398.732 4.754 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 18193327 FXMIMGBDSTVCDE-UHFFFAOYSA-N 379.843 4.897 0 40 GJAB CCc1ccc(OCC(=O)N[C@@H](CC)c2ccccc2)c(Br)c1 20460569 AMQDAAOPOCYWIA-KRWDZBQOSA-N 376.294 4.658 0 40 GJAB CCOc1ccccc1CCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 22066944 DSSVYRRDYLCQMM-UHFFFAOYSA-N 396.468 4.509 0 40 GJAB CCOc1cc(CN[C@H](C)[C@H](O)c2ccccc2)ccc1OCc1cccs1 22076362 MTZMEPSUWXUKKI-HXOBKFHXSA-N 397.540 4.938 0 40 GJAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(Cn2cccn2)c1 25133964 CISHJFBVDPMMQU-UHFFFAOYSA-N 388.496 4.539 0 40 GJAB CCCCOc1ccccc1-c1nnc2n1N=C(c1ccc(F)cc1)CS2 27645306 SWTMPKNGUJAKFR-UHFFFAOYSA-N 382.464 4.621 0 40 GJAB CCn1nc(C)c(-c2nn3c(-c4cc(Cl)cc(Cl)c4)nnc3s2)c1C 36360832 QLZXVVKMKGVDEE-UHFFFAOYSA-N 393.303 4.660 0 40 GJAB O=C(NCC1(c2cccs2)CCOCC1)Nc1cccc(C(F)(F)F)c1 38489699 FOPUUZPBPWLLIC-UHFFFAOYSA-N 384.423 4.637 0 40 GJAB CC(=O)Nc1cc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)ccc1C 40131999 KGMSHOLHCHBTKT-UHFFFAOYSA-N 391.496 4.588 0 40 GJAB COc1ccccc1C(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1 40150704 PLGKFYKIHMCPQO-UHFFFAOYSA-N 389.455 4.578 0 40 GJAB COc1ccc([C@H](C)NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1F 44031541 GQEBLECRILGWRN-AWEZNQCLSA-N 387.455 4.702 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 44950055 HENSSFKWDRSLOS-GOSISDBHSA-N 388.920 4.976 0 40 GJAB COC(=O)c1cccc2c(C(C)(C)c3c[nH]c4c(C(=O)OC)cccc34)c[nH]c12 45946548 KDXXLQHEVCLIGL-UHFFFAOYSA-N 390.439 4.548 0 40 GJAB CN(Cc1ccc(F)c(F)c1)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 48249247 SIBQASBVXIAJHP-UHFFFAOYSA-N 383.320 4.666 0 40 GJAB O=[S@](Cc1nc(-c2ccccc2Cl)no1)Cc1cccc2ccccc12 58130949 KGMHDJBBHHBFHW-AREMUKBSSA-N 382.872 4.992 0 40 GJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 59227331 WPUIKLSQKCCPPY-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB CC(=O)c1cccc(O[C@H](C)C(=O)NCc2ccccc2Oc2ccccc2)c1 60182934 JZUAIBYEMDCCIC-GOSISDBHSA-N 389.451 4.765 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)c1 71769100 JSABWWUKKBEINY-UHFFFAOYSA-N 388.496 4.973 0 40 GJAB CC(C)(C)OC(=O)N1CC[C@@]2(CCc3ccc(OCc4ccccc4)cc3O2)C1 96345745 ADYGLGHDMUXLAH-DEOSSOPVSA-N 395.499 4.970 0 40 GJAB COc1cc(N)c(Cl)cc1C(=O)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166718 KRDILUFFWNMZAZ-HZPDHXFCSA-N 388.870 4.621 0 40 GJAB Cc1ccc(C[C@@H]2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)[C@H]2C)cc1 100174032 PRZOYCUDJDYFQE-HRGIBLDRSA-N 379.544 4.765 0 40 GJAB COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)oc3ccccc3c2=O)cc1 101373608 VMEIEXBBQICDPZ-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB OC1=C2C(=Nc3nc(SCc4ccccc4)nn3[C@@H]2c2cccnc2)CCC1 102661477 KNEWPSCQFXVPMY-LJQANCHMSA-N 389.484 4.637 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)c(Cl)c1Cl 113935615 CLCKEQVEWCOMMY-UHFFFAOYSA-N 390.288 4.590 0 40 GJAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CSC3CCCC3)C2)n1 220788000 TYHDEOSQBYWYRT-KRWDZBQOSA-N 399.560 4.502 0 40 GJAB Cc1cccc(CSCC(=O)NCCSCc2cccc(Cl)c2)c1 222735703 ZALCZSNMQJPHAW-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB O=C(COc1cccc2c1CCCC2)NCCSCc1ccc(Cl)cc1 222920590 MOPBFGIOXYUCBY-UHFFFAOYSA-N 389.948 4.647 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(OC)c(Cl)cc1OC 222990292 CWSRIKQZIPRCKB-KRWDZBQOSA-N 377.868 4.770 0 40 GJAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1C(C)C 223335480 DUXZOENJICIURE-KRWDZBQOSA-N 394.515 4.745 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCCC1 224902982 DYEFLQZAYWTXRW-CQSZACIVSA-N 399.362 4.960 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 225262869 RJYDLAMHUIYSGI-UHFFFAOYSA-N 399.450 4.967 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 225659637 CBUMXSIUVMIPGU-MRXNPFEDSA-N 384.545 4.824 0 40 GJAB CC[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(C)c(C)c1 225712381 BGTKHPJPTOXKSV-FQEVSTJZSA-N 381.545 4.868 0 40 GJAB CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 225762316 KMZJAUQKAXVVSV-UHFFFAOYSA-N 398.978 4.993 0 40 GJAB CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 257173718 VOGZOQZBHKOREB-YSSFQJQWSA-N 384.545 4.600 0 40 GJAB CC(C)(C)OC(=O)N1C[C@H]2[C@H](N(Cc3ccccc3)Cc3ccccc3)[C@H]2C1 261514343 XAJYRABZEDHMCO-ZBYYUNFXSA-N 378.516 4.554 0 40 GJAB CC(C)c1cc(Br)ccc1NC(=S)NC(=O)c1ccccc1F 408596130 OXZOGCZZSXUMKW-UHFFFAOYSA-N 395.297 4.838 0 40 GJAB O=C(Nc1cccc(F)c1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408696681 DLGSBJODCHUPCS-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccccc3C)n2)c1 408698427 NSWMZGDEVSVCHT-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB Cc1c(Cl)cccc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 408976735 SUYNYTKBPFVBRQ-ODLFYWEKSA-N 392.867 4.679 0 40 GJAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)ccc1O 409060826 YIPNUZWGFCMWHA-YBEGLDIGSA-N 375.833 4.685 0 40 GJAB CCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)NC1=S 409087981 DHTZAALOWHSTMG-LCYFTJDESA-N 381.284 4.721 0 40 GJAB Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3ccccc3C(F)(F)F)nn12 829522 VAPUFYYPIYFHML-UHFFFAOYSA-N 396.372 4.976 0 40 GJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(CC)cc1 949619 OGOLNAWKGAKONG-UHFFFAOYSA-N 378.428 4.504 0 40 GJAB CCCn1cnc2c(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c(C)cc21 1388575 AGDLEKMOUXNWGK-UHFFFAOYSA-N 377.897 4.517 0 40 GJAB COC[C@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 1447668 PAYXANVYZBLTQK-HNNXBMFYSA-N 376.435 4.673 0 40 GJAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1nc2ccccc2s1 2467178 HXHLCLODPFQEDY-UHFFFAOYSA-N 392.465 4.717 0 40 GJAB Cc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2cccnc2)c(C)c1 2643866 UDHUPVFGFBVOBX-GOSISDBHSA-N 380.517 4.607 0 40 GJAB O=c1c2sccc2nc(SCc2ccccc2)n1CCc1ccccc1 2925272 WGJSFROZGASSBB-UHFFFAOYSA-N 378.522 4.993 0 40 GJAB COc1cc2c(cc1OC)CN(C(=O)C=C(c1ccccc1)c1ccccc1)CC2 3188333 JPHCMLBPGCPPLG-UHFFFAOYSA-N 399.490 4.720 0 40 GJAB biogenic Cc1ccc2nc(N(Cc3cccnc3)C(=O)COc3ccccc3)sc2c1 4273163 SJIHVVFODWJILF-UHFFFAOYSA-N 389.480 4.612 0 40 GJAB CCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(C)c(F)c3)nn2)cc1 4355992 CSSTZQJUDSABSM-UHFFFAOYSA-N 397.475 4.721 0 40 GJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 4735565 GCLKNNCNPBYKJX-OAQYLSRUSA-N 375.472 4.977 0 40 GJAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 4788668 VMSDSBBNXNQGRD-HZPDHXFCSA-N 378.453 4.569 0 40 GJAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 4910848 NVKMYWAWBKWNPA-GOSISDBHSA-N 391.515 4.538 0 40 GJAB O=C(c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O 4936878 LVXULHITFGHXHC-UHFFFAOYSA-N 375.374 4.559 0 40 GJAB C[C@@H](OC(=O)/C=C/c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 6429103 ROAONBIMZUFMDS-GCZGRYASSA-N 396.443 4.533 0 40 GJAB Cc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2NC(=O)Nc2cccc(C)c2)c1 6598410 NAUDTJOSLDFUPG-PMACEKPBSA-N 380.492 4.558 0 40 GJAB COc1ccc(-c2noc(CN(C(=O)c3ccc(C)cc3Cl)C(C)C)n2)cc1 6736969 MOZGFGSGJIHMCO-UHFFFAOYSA-N 399.878 4.758 0 40 GJAB Cc1nnc(S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)O)o1 7365719 XWVCYYLQINFSQX-ODLFYWEKSA-N 391.452 4.599 0 40 GJAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1CSc1ncn[nH]1 8315720 TVINAPKNTCFQQW-GOSISDBHSA-N 398.919 4.632 0 40 GJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1COc1ccccc1 8427967 KKXIPJHIIAQLLK-UHFFFAOYSA-N 386.451 4.645 0 40 GJAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccccc2)c1 8664956 VGWVLDDSHYXIPO-OAQYLSRUSA-N 382.419 4.555 0 40 GJAB CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccncc1 8748492 OHEKYFQRYYTVNR-UHFFFAOYSA-N 397.891 4.961 0 40 GJAB CN(Cc1ccccc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 9112198 BZPFBQRVHHDIDI-UHFFFAOYSA-N 377.469 4.898 0 40 GJAB Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)N1CCCc2ccccc21 9937473 SRRQALIRZUNEPT-UHFFFAOYSA-N 399.454 4.571 0 40 GJAB CCc1oc2ccccc2c1CN(C)C(=O)Cc1coc2cc(OC)ccc12 10217952 ZWMXZAQSYWEKTB-UHFFFAOYSA-N 377.440 4.951 0 40 GJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCCc1ccccc1Cl 10543244 ZVPUUIVADASFHQ-UHFFFAOYSA-N 392.735 4.699 0 40 GJAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 11493408 FAJNKWIXHZNSIL-UHFFFAOYSA-N 397.862 4.649 0 40 GJAB Cc1noc(C)c1CCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 12017930 HHFVXBSROUCGDA-UHFFFAOYSA-N 375.881 4.563 0 40 GJAB Cc1ccc(CSc2nc(CC(=O)N3CCc4ccccc43)cs2)cc1 13010375 YCNUHJCAYGNWRS-UHFFFAOYSA-N 380.538 4.876 0 40 GJAB CCOc1cccc(NC(=O)CSCc2ccccc2Br)c1 13669722 HTSUEFNWDSGWIC-UHFFFAOYSA-N 380.307 4.720 0 40 GJAB O[C@H](c1ccccc1)c1nc2ccccc2n1CCCOc1ccc(F)cc1 13811625 FDCQNYABFLRHCD-JOCHJYFZSA-N 376.431 4.726 0 40 GJAB C[C@@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1ccc(Cl)cc1Cl 14086341 RSARUXQIKNYPTD-SNVBAGLBSA-N 399.347 4.964 0 40 GJAB COc1ccc(OCCCC(=O)NCCSCc2ccccc2Cl)cc1 14400036 QMMOFOHDZINMTQ-UHFFFAOYSA-N 393.936 4.557 0 40 GJAB CCn1ncc(-c2csc(NC(=O)c3oc4cc(OC)ccc4c3C)n2)c1C 19524077 WERWXXWVNXFCGU-UHFFFAOYSA-N 396.472 4.650 0 40 GJAB COc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1NC(=O)C(C)C 20096493 BRQIWIZEZKNBJH-UHFFFAOYSA-N 380.488 4.740 0 40 GJAB CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1 20175972 RBTJFBRXFBMHAX-YVLHZVERSA-N 389.860 4.642 0 40 GJAB Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 20503208 VOSKNNGMIJKCSY-ZWKOTPCHSA-N 376.525 4.505 0 40 GJAB biogenic,in-vitro CCOc1ccccc1NC(=O)CSCc1ccccc1Br 22668716 FRDBSODIAHHSOT-UHFFFAOYSA-N 380.307 4.720 0 40 GJAB Cc1cccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCCC3)n2)c1 27643094 IRMXWJIBPYHZBK-UHFFFAOYSA-N 380.883 4.921 0 40 GJAB COc1cccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)c1 28288688 FFAOEVIQBKMIDV-JOCHJYFZSA-N 380.532 4.560 0 40 GJAB O=C(Nc1cc(Cl)ccc1O)c1cc(-c2cccnc2)nc2ccccc12 31814813 RDJQXHZICHEWTQ-UHFFFAOYSA-N 375.815 4.908 0 40 GJAB O=c1nc2n(c3sc4c(c13)CCCC4)[C@H](CSc1ccccc1)CS2 36636124 KSZPXZVSJDMIFA-GFCCVEGCSA-N 386.567 4.776 0 40 GJAB O=C(c1ccc(CN2CCCCC2)cc1)N(Cc1cccnc1)Cc1ccco1 40050527 ZQLOZKMUECRTFX-UHFFFAOYSA-N 389.499 4.503 0 40 GJAB CCOc1ccccc1CN(C[C@@H](C)O)C(=O)Nc1cccc(C(F)(F)F)c1 40096095 XOXDLDZFRMTZSM-CQSZACIVSA-N 396.409 4.519 0 40 GJAB COc1cc(C)ccc1NC(=O)c1nn(-c2ccc(C)c(F)c2)c2c1CCCC2 48301366 JRWGZWJOOCIKNG-UHFFFAOYSA-N 393.462 4.768 0 40 GJAB Clc1ccc(CN2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 49169736 HOTNVPGVFJKFOD-INIZCTEOSA-N 392.890 4.785 0 40 GJAB biogenic,in-vitro COc1ccc(CC[C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)cc1OC 58265172 VZPUHYZNWJIREK-NRFANRHFSA-N 381.516 4.569 0 40 GJAB COc1ccc2cc(CNc3cccc(N4CCCC4=O)c3C)c(Cl)nc2c1 58394186 LKFNTJVPNJREOC-UHFFFAOYSA-N 395.890 4.944 0 40 GJAB CCc1ccccc1NC(=O)CSc1nnc(COc2cccc(C)c2C)o1 59176137 LXEYVAGLWOLEEE-UHFFFAOYSA-N 397.500 4.559 0 40 GJAB CC(C)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)cc1 59200423 RZAJZNHNICEHGI-UHFFFAOYSA-N 383.473 4.503 0 40 GJAB CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N21 67192548 XIZOBAVCUZQZDL-KRWDZBQOSA-N 395.915 4.615 0 40 GJAB COc1cc(NC(=O)N[C@@H](c2cccs2)C(C)(C)C)ccc1NC(C)=O 69491488 IRPBGDDHURMPFK-KRWDZBQOSA-N 375.494 4.624 0 40 GJAB O=C(N[C@@H](C[C@@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1)C1CCC1 72373154 WVOHRVSCLILPLB-GMAHTHKFSA-N 395.522 4.623 0 40 GJAB O=C(CN1CCC[C@@H]1c1ccncc1)Nc1ccc(Cl)cc1C(F)(F)F 89768349 OAHDXFJUHWCCON-MRXNPFEDSA-N 383.801 4.529 0 40 GJAB CN(Cc1ccc([S@](C)=O)cc1)c1ccc2ccc(Cl)c(Cl)c2n1 95462975 VVAWSFATWUAPFU-XMMPIXPASA-N 379.312 4.915 0 40 GJAB CC(C)n1c(C(=O)NCc2ccc(F)cc2F)cc2c1c1ccccc1n2C 96037265 WYOFECJYVSIJMJ-UHFFFAOYSA-N 381.426 4.922 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)C[C@@H](c2ccc(F)cc2)C1 102565951 DPQQUCSFXSWGNQ-MPBGBICISA-N 396.372 4.761 0 40 GJAB C[C@@H](NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1)[C@H]1C[C@@H]2CC[C@@H]1C2 103036397 HUJBDQZODZRTGQ-OZQHCQBDSA-N 393.483 4.577 0 40 GJAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 223483706 VUIPNALXFHJCCD-QHCPKHFHSA-N 398.522 4.858 0 40 GJAB CCCOCc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OC 224413234 TZPMJVIXWKIORY-UHFFFAOYSA-N 378.266 4.637 0 40 GJAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c(C)c1 225698176 OWHVAYNVNPZVHQ-CEZZIEKDSA-N 388.467 4.545 0 40 GJAB COC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)sc2c1CCC2 408563813 RCZWDQUAKXQUAP-JTQLQIEISA-N 395.933 4.796 0 40 GJAB COc1ccc(C2(c3noc([C@H]4CCC(F)(F)C4)n3)CCCC2)cc1OC 585084200 IXBVBJTTZSKGOD-ZDUSSCGKSA-N 378.419 4.850 0 40 GJAB Cc1ccccc1COc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 675031474 PYLSPFSBPVPOAS-UHFFFAOYSA-N 376.481 4.701 0 40 GJAB COC(=O)C12CC(c3nnc(-c4cc(-c5ccccc5)nc5ccccc45)o3)(C1)C2 1261571118 OHTVRFWWHXDMGO-UHFFFAOYSA-N 397.434 4.547 0 40 GJAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)c2ccccc2)ccc1Cl 645319 ADHUAUJBTPHIHE-UHFFFAOYSA-N 385.872 4.734 0 40 GJAB O=C1OC(c2ccccc2Br)=N/C1=C/c1cccc2ccccc12 1084849 JVDKZFYHJQKUOW-LDADJPATSA-N 378.225 4.947 0 40 GJAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)c1ccc(Cl)cc1 1364712 DJXRLJQNYANFHC-UHFFFAOYSA-N 399.859 4.808 0 40 GJAB Cc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3cccc(Cl)c3)s2)c1 1378996 OQDNZQUMVOPSJY-UHFFFAOYSA-N 385.876 4.918 0 40 GJAB CCCCOc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C 2110893 CHWCCVSKHCMVIW-ZXYASIKESA-N 376.500 4.503 0 40 GJAB biogenic CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 2499221 RCZHNTYZPLFHRB-HNNXBMFYSA-N 399.487 4.600 0 40 GJAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCCc2ccccc21 2665250 OOCLYKVDBZYWGV-UHFFFAOYSA-N 375.799 4.500 0 40 GJAB CCCCNc1nc(SCC(=O)Nc2cccc(OC)c2)nc2ccccc12 2941563 ZIPVPTNCQQOMAB-UHFFFAOYSA-N 396.516 4.581 0 40 GJAB CC(C)[C@H]1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O 2965395 HWJWZFHBKOBSQE-QGZVFWFLSA-N 383.904 4.888 0 40 GJAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC=C(c2ccccc2)CC1 3378776 MVPCFRUYJFBZJC-OAHLLOKOSA-N 385.305 4.565 0 40 GJAB CCCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccoc1C 4860466 XLYGQLRYHQLDCA-UHFFFAOYSA-N 398.532 4.994 0 40 GJAB CCCCN(C(=O)c1ccc(OC)cc1)c1nnc(-c2ccccc2C)s1 4982390 QRWAKSWIFDKXSQ-UHFFFAOYSA-N 381.501 4.969 0 40 GJAB COc1ccc(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)O)cc1OC 5023162 HEUHIJPGLREMKD-UHFFFAOYSA-N 384.457 4.506 0 40 GJAB COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 5676078 MCJMEQCSJKXKKM-YVLHZVERSA-N 389.860 4.594 0 40 GJAB COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1OC 6309254 YHYDKNGUPJOGLB-UHFFFAOYSA-N 393.468 4.641 0 40 GJAB COc1cc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)c(OC)cc1Cl 6309949 KZSBYUCFYKBRJC-VMPITWQZSA-N 383.778 4.611 0 40 GJAB CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2nc3ccccc3o2)s1 6590826 AQZHQGBYXPOHDP-UHFFFAOYSA-N 388.514 4.527 0 40 GJAB CCCCCNCc1cc(Br)c(OCc2cccnc2)c(OC)c1 6859306 KQBMFCSZQYJOJK-UHFFFAOYSA-N 393.325 4.712 0 40 GJAB O=C(CCCSc1ncnc2c1cnn2-c1ccccc1)c1cccs1 6881154 ZEUFGOJXRLTRET-UHFFFAOYSA-N 380.498 4.632 0 40 GJAB COc1cc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc(OC)c1 6941870 XJQJPQQLWSITEE-UHFFFAOYSA-N 382.485 4.625 0 40 GJAB Cc1ccc(Cn2nc(C)c3cc(C(=O)Nc4nc(C)cs4)sc32)cc1 7039098 WKAPQJRYGBMBEP-UHFFFAOYSA-N 382.514 4.780 0 40 GJAB c1ccc(-c2cnc(CSc3nnc([C@H]4COc5ccccc5O4)o3)o2)cc1 7089162 GBBOINCGZBPYKZ-QGZVFWFLSA-N 393.424 4.529 0 40 GJAB O=C(CSc1nnc(-c2ccccc2F)o1)c1cccc(Br)c1 7193174 QABPKJLGOVDQNG-UHFFFAOYSA-N 393.237 4.613 0 40 GJAB COc1cccc(NC(=O)[C@@H](Nc2ccc(OC)c(OC)c2)c2ccccc2)c1 7239389 GGAWXHVEWVPNEW-QFIPXVFZSA-N 392.455 4.504 0 40 GJAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCCSc2ccccc21 7717617 BGSNKLHDHZIFSQ-UHFFFAOYSA-N 375.497 4.892 0 40 GJAB Cc1cc(C2=Nn3cc(-c4ccccc4)nc3SC2)c(C)n1C[C@H]1CCCO1 7989626 XDWQJORBBPETOL-GOSISDBHSA-N 392.528 4.506 0 40 GJAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 8341900 JFRBMYJHTQCGPW-UHFFFAOYSA-N 380.831 4.745 0 40 GJAB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)OCCCO2 9739631 YZGSLQBVFGWNQL-UHFFFAOYSA-N 391.423 4.658 0 40 GJAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccccc3-c3ccccc3)cnc12 10411984 NTACEZCTVHZWBK-UHFFFAOYSA-N 397.478 4.791 0 40 GJAB O=C1C[C@@H](C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c2ccccc2N1 10643061 IIJFSFJKYYSPJC-DENIHFKCSA-N 390.870 4.672 0 40 GJAB CC(C)n1ncc2c(C(=O)OCCOc3ccccc3)cc(-c3ccco3)nc21 11042694 JPVNXKNZWAMFEB-UHFFFAOYSA-N 391.427 4.508 0 40 GJAB COc1ccc([C@H](NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)C(C)C)cc1 11052910 MKBJMXXNSPGRBH-UPCLLVRISA-N 395.499 4.586 0 40 GJAB CSCC[C@H](NC(=O)CCSc1ccc(C)cc1)c1nc2ccccc2[nH]1 12540684 BUAVMPQXBUDZQO-IBGZPJMESA-N 399.585 4.964 0 40 GJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc3c2CCCC3)c1 12734555 XEPODCLHEXOYNV-UHFFFAOYSA-N 392.528 4.824 0 40 GJAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccccc1C(F)(F)F 13678905 YCYYFNYXCVVSJK-UHFFFAOYSA-N 384.206 4.954 0 40 GJAB FC(F)(F)c1cccc(N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)c1 13830015 UOTQZVWBTKBWIA-UHFFFAOYSA-N 399.869 4.878 0 40 GJAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c(OC)c1 14237472 GFECQNQLGDMFEV-KRWDZBQOSA-N 375.468 4.791 0 40 GJAB O=C(CSc1nnnn1C1CCCCC1)Nc1ccc(-c2ccccc2)cc1 14241576 YESAHUBXQLCBGS-UHFFFAOYSA-N 393.516 4.576 0 40 GJAB C/C=C/c1cc(C(=O)NCc2ccc(CN(CC)CC)cc2)cc(OC)c1OC 16236723 HVAIKTXVINMVHS-RMKNXTFCSA-N 396.531 4.509 0 40 GJAB CCOc1ccc(-c2csc(-c3nnn(-c4cccc(OC)c4)c3C)n2)cc1 16842855 YMRVVZILKBZBHX-UHFFFAOYSA-N 392.484 4.774 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncnc4ccccc34)cc2)cc1 24058232 CFLOOMYHBVNESS-UHFFFAOYSA-N 391.452 4.531 0 40 GJAB CCc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)NC2CCCCC2)cc1 28527912 RHECPSABBMGPGW-UHFFFAOYSA-N 395.551 4.616 0 40 GJAB CCOc1ccc(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)cc1OCC 31564310 JFOXTOQYVMFDNM-UHFFFAOYSA-N 383.473 4.585 0 40 GJAB O=C(Nc1cccc(Cl)c1)[C@@H]1CC(O)=Nc2c(-c3ccc(F)cc3)cnn21 32100960 WOLLGLILDBVYAS-INIZCTEOSA-N 384.798 4.514 0 40 GJAB CCOc1ccc2nc(SCc3nc(-c4ccc(Cl)cc4)no3)[nH]c2c1 32722780 QCMVCMGOZJOKJK-UHFFFAOYSA-N 386.864 4.957 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1Cn1cccn1 32832889 IURVBVHRXAPNRH-UHFFFAOYSA-N 380.498 4.677 0 40 GJAB CN1C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2Oc2ccccc21 36705389 HBRWPIXIZNJORN-UHFFFAOYSA-N 377.375 4.852 0 40 GJAB O=C(Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)NC1CCCC1 40120568 UBXFWYYTQYNJJA-UHFFFAOYSA-N 381.354 4.615 0 40 GJAB O=C(CSc1ccc(-c2cccc(Br)c2)nn1)c1ccccc1 57486349 XZGIBBXHDGSUAD-UHFFFAOYSA-N 385.286 4.881 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cc2ccccc2[nH]1 58377980 FQRUKSLIPCDPAN-UHFFFAOYSA-N 383.810 4.854 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ncccc2C)C12CCCC2 71280929 NDEAFKKYHPLLBY-XLIONFOSSA-N 391.515 4.679 0 40 GJAB O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccc2nccnc12 72314677 FYZRPHSQNCKMPC-JOCHJYFZSA-N 378.435 4.621 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349582 QHHQDGHHDPYGDK-IBGZPJMESA-N 392.449 4.976 0 40 GJAB COc1ccc(Cc2cccc(C3CCN(C(=O)C4CCCC4)CC3)n2)cc1 72349649 KVPXCIGCPLOMDY-UHFFFAOYSA-N 378.516 4.577 0 40 GJAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4c(C)noc4C)C3)n2)c1 72350223 MFZULXRCYRFZKO-FQEVSTJZSA-N 389.499 4.611 0 40 GJAB Cc1ccc2nc(C3CN(C(=O)C4(c5ccc(Cl)cc5)CCCC4)C3)[nH]c2c1 77099559 SIBDWXPBBGUMOJ-UHFFFAOYSA-N 393.918 4.963 0 40 GJAB CC(C)[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(C2CCCCC2)cc1 78990858 RVMSPDOHVFEOCG-ZEQRLZLVSA-N 398.591 4.801 0 40 GJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1cccc(C)c1 82086722 JNZCHPLJZBPFPO-JOCHJYFZSA-N 391.515 4.887 0 40 GJAB Cc1oc(-c2cccs2)nc1C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 84052943 JEDDPSUJSSURTG-MAUKXSAKSA-N 386.448 4.501 0 40 GJAB CO[C@H]1CCCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)C1 96122481 IYFPHQXWGVBZHB-INIZCTEOSA-N 379.287 4.861 0 40 GJAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NC(CO)CO 97730337 QHELXIATGZYOIB-CGRWFSSPSA-N 377.569 4.602 0 40 GJAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1CCc1ccccc1 223057320 IVZKBBSWKCHRNR-UHFFFAOYSA-N 399.534 4.950 0 40 GJAB Cc1ccc(CSCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224645211 RRUBQPFPOSYRDI-UHFFFAOYSA-N 382.573 4.531 0 40 GJAB O=C(NC1CC1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224939714 SAHXOMMUFHHFKJ-UHFFFAOYSA-N 383.245 4.663 0 40 GJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(Cl)cc1Cl 225509942 SYSSEYZRGNCLHZ-ZDUSSCGKSA-N 378.299 4.956 0 40 GJAB S=C(NCCCSCc1ccccc1Cl)Nc1ccc2c(c1)OCO2 225606454 UXXWZVSXCRMCHT-UHFFFAOYSA-N 394.949 4.679 0 40 GJAB O=C(NCc1ccc(-c2cccnc2)nc1)C(c1ccccc1)c1ccccc1 225765093 KKFBJJGRSAZYSE-UHFFFAOYSA-N 379.463 4.592 0 40 GJAB O=C(CCNc1ccc(Br)cc1)c1ccc(Br)cc1 226762486 JHOXPFOAFWJZIE-UHFFFAOYSA-N 383.083 4.897 0 40 GJAB Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CCN(Cc3cscn3)CC1)O2 257256985 KNPZTRRVNNFYDG-PKOBYXMFSA-N 390.936 4.691 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C)cn3)N21 260786477 XNWDHBFYXRAQGP-CZAAIQMYSA-N 389.528 4.555 0 40 GJAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(Cl)cc2)S1 408817662 WCPQIRUYAKXCIN-UHFFFAOYSA-N 380.276 4.765 0 40 GJAB Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 654059003 VEIDWDYOKMIQFR-FUHWJXTLSA-N 393.409 4.679 0 40 GJAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 666903030 TWIHPWGPRLIIHA-LJQANCHMSA-N 375.472 4.524 0 40 GJAB Cc1ccccc1OCC(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615122440 RLNBORFDUJIYBR-DEOSSOPVSA-N 396.506 4.563 0 40 GJAB O=C(CCC1CCCC1)N1C[C@@H]2CCC[C@]2(c2nc(-c3ccccc3)no2)C1 1615542252 UBLTUXRSVNWIFK-CVDCTZTESA-N 379.504 4.587 0 40 GJAB Cc1cnc(F)c(-c2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)c1 1615610803 NPRCVLHTZKPGSA-UHFFFAOYSA-N 392.365 4.638 0 40 GJAB CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 1248654 VJMRAHHHXOOKSA-OAHLLOKOSA-N 386.542 4.575 0 40 GJAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1ccccc1F 2454242 PQRXHZIERYFCGZ-UHFFFAOYSA-N 394.833 4.935 0 40 GJAB O=C(N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1)c1ccco1 3103678 IZMNABGUQYPPIC-GOSISDBHSA-N 389.238 4.637 0 40 GJAB O=C(CSc1nnc2ccccn12)N1c2ccccc2Sc2ccccc21 3505780 OOLNBFSIADSFNY-UHFFFAOYSA-N 390.493 4.651 0 40 GJAB Clc1ccc2nc(N3CCN(c4nc5ccccc5s4)CC3)sc2c1 4137874 OXDJWHPRWBHIQI-UHFFFAOYSA-N 386.933 4.886 0 40 GJAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)c1 4561564 WGGNTORPJHTUGN-UHFFFAOYSA-N 387.464 4.930 0 40 GJAB CCCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1 4681336 NRFMJYHZEYKAOQ-UHFFFAOYSA-N 394.544 4.513 0 40 GJAB CC1(C)CC(=O)C2(Cc3ccccc3N3CC[C@@H](c4ccccc4)C[C@@H]32)C(=O)C1 4915027 JEWFMOLKHLSBHQ-DENIHFKCSA-N 387.523 4.940 0 40 GJAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccccc1Cl 4997409 HCSHMBJNSAVKKO-UHFFFAOYSA-N 390.921 4.534 0 40 GJAB Cc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 5291431 UMROBGHIHDRGDJ-UHFFFAOYSA-N 388.467 4.608 0 40 GJAB COc1cccc(-c2noc(CSc3nc(Cc4ccccc4)c(C)[nH]3)n2)c1 5312395 FIKKMWVPNFIMOD-UHFFFAOYSA-N 392.484 4.660 0 40 GJAB COc1cc(C)c(CSc2nnc(-c3cccs3)n2C2CC2)cc1OC 5359716 MLYIBAYXAZLSIR-UHFFFAOYSA-N 387.530 4.959 0 40 GJAB CCOc1ccc2nc(NC(=O)CSc3ccc4ccccc4n3)sc2c1 5797161 WRYUSPSMYZDSOV-UHFFFAOYSA-N 395.509 4.974 0 40 GJAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)cc1OC 6922838 QZYSXKPKTXYODP-IEZKXTBUSA-N 395.543 4.881 0 40 GJAB biogenic O=S(=O)(c1ccc2ccccc2c1)N(Cc1ccco1)Cc1cccs1 7217252 DMLSTAFCXRSVAY-UHFFFAOYSA-N 383.494 4.885 0 40 GJAB CCOc1ccc(C(=O)Nc2cc(C)c(I)c(C)c2)cc1 8071886 BPYXCJMGIUCBMN-UHFFFAOYSA-N 395.240 4.559 0 40 GJAB O=C(O)/C(=C/c1cc(Br)cc(Br)c1O)c1ccccc1 8579259 LOQCNXOCQQAMAM-KPKJPENVSA-N 398.050 4.542 0 40 GJAB Cc1ccc([C@H](C)NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1C 8719413 JMPPQMSYCPRMAT-KRWDZBQOSA-N 393.556 4.895 0 40 GJAB CN(CC(=O)Nc1ccccc1C(F)(F)F)CC12CC3CC(CC(C3)C1)C2 8745695 ZMUWEGWDOFCFBE-UHFFFAOYSA-N 380.454 4.792 0 40 GJAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3Cl)cc21 8959692 ZWLBIWVSDXBLSD-UHFFFAOYSA-N 386.879 4.754 0 40 GJAB O=C(Nc1ccccc1C(=O)NCc1nc2ccccc2s1)c1cccs1 12737124 FXBCILVCPOUFEA-UHFFFAOYSA-N 393.493 4.540 0 40 GJAB COc1ccccc1CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 12805943 VKVXAALHCCTKNK-UHFFFAOYSA-N 375.428 4.520 0 40 GJAB Cc1ccc(NC(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)cc1 13009910 HTAJZVXPEWNRFM-UHFFFAOYSA-N 399.458 4.667 0 40 GJAB CCOc1cc(CN(Cc2cccnc2)Cc2ccccc2F)ccc1OC 13569009 LOBPMDCEWWAIJL-UHFFFAOYSA-N 380.463 4.830 0 40 GJAB C[C@@H]1C[C@H](OC(=O)[C@@H](OC(=O)c2cccnc2)c2ccccc2)CC(C)(C)C1 13884308 JVISQUVIQOJOOQ-UXPWSPDFSA-N 381.472 4.738 0 40 GJAB in-man CC(=O)c1cccc(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)c1 14182836 IJPAPFPRIYIHMA-UHFFFAOYSA-N 387.479 4.540 0 40 GJAB c1ccc(COc2cccc(-c3nnc4n3N=C(c3ccccc3)CS4)c2)cc1 15085465 VLUPUXSFVBQFCB-UHFFFAOYSA-N 398.491 4.882 0 40 GJAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)c(OC)c1 15224679 FYZWDURMACDDJS-ZJSXRUAMSA-N 386.451 4.946 0 40 GJAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc2c(c1)nc(C(C)C)n2C 19561113 MBQXPLUJFPZBAY-UHFFFAOYSA-N 391.500 4.776 0 40 GJAB COc1ccccc1-c1ccc(CN2CCC(Cn3ccnc3C)CC2)cc1 19715485 GWZOJAHYCIUBFJ-UHFFFAOYSA-N 375.516 4.779 0 40 GJAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCC(Cc2ccccc2)CC1 20735739 NDUVVDIBMINKTR-OAQYLSRUSA-N 382.891 4.902 0 40 GJAB Cc1c(C(=O)Nc2ccc(F)cc2)nnc2c(-c3ccccc3)c(C(C)C)nn12 20797835 LICCPHVGQCYLTO-UHFFFAOYSA-N 389.434 4.615 0 40 GJAB COc1cccc(C(=O)OCc2csc(-c3ccccc3Cl)n2)c1O 21330437 FLBURDQJYDQNJB-UHFFFAOYSA-N 375.833 4.535 0 40 GJAB O=C(Nc1cccc2ccccc12)N1CCN(Cc2cccc3cccnc23)CC1 25045808 GYANFHGESKNLLY-UHFFFAOYSA-N 396.494 4.738 0 40 GJAB COc1cccc(C(=O)Nc2cc(-c3nc4cnccc4o3)ccc2Cl)c1 32096753 NZCNBTXYWNHCQM-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB CC[C@H](NC(=O)CSCc1csc(C)n1)c1ccccc1OC(F)F 32914579 HLPRBYVVTJVDKC-AWEZNQCLSA-N 386.489 4.554 0 40 GJAB COc1ccc(-c2noc(-c3cccc(NC(=O)Cc4ccccc4)c3)n2)cc1 33012758 KUKFAQMFEQJHRD-UHFFFAOYSA-N 385.423 4.593 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3nc4ccccc4[nH]3)c12 40127998 VZKGELABDTZSQR-UHFFFAOYSA-N 388.475 4.501 0 40 GJAB CC(C)(C)[C@H](NC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)c1cccs1 47504461 BLHDBJJBNJLWBU-MRXNPFEDSA-N 393.896 4.641 0 40 GJAB O=[S@@](Cc1nc(-c2ccccc2Cl)no1)Cc1cccc2ccccc12 58130942 KGMHDJBBHHBFHW-SANMLTNESA-N 382.872 4.992 0 40 GJAB Cc1nc(-c2ccc(NC(=O)/C=C/c3c(Cl)nc4sccn34)cc2)oc1C 65811140 AUZZEPYOYSMKIJ-BQYQJAHWSA-N 398.875 4.973 0 40 GJAB C[C@H]1CCCN(C(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)CC1 69323519 DAMGNKRPORBFLW-HNNXBMFYSA-N 397.544 4.536 0 40 GJAB O=C(Cc1ccccn1)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357944 LTAODGDDONBTRL-JOCHJYFZSA-N 391.902 4.627 0 40 GJAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2cncc(Oc3ccc(Cl)cc3)n2)o1 72384122 LIHIPVJBKKQAHQ-KRWDZBQOSA-N 398.850 4.504 0 40 GJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nc(C)cs2)C12CCCC2 72401476 IYVKKNJQTOHCNV-GOSISDBHSA-N 397.544 4.743 0 40 GJAB COc1ccc(Br)c(C(=O)N2CCC(c3cccs3)CC2)c1 77099777 HODQGPNSXUGAQQ-UHFFFAOYSA-N 380.307 4.539 0 40 GJAB CN(C(=O)COc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccn1)C(C)(C)C 78963743 NBCCLQVYGBAPTH-GOSISDBHSA-N 394.437 4.595 0 40 GJAB CN(C(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(F)cc1 83869329 AFOIILSNWZRXII-UHFFFAOYSA-N 393.443 4.931 0 40 GJAB O=C(NCc1cncc(-c2ccsc2)c1)c1cccc(Oc2ccccn2)c1 206947960 WKZOROVPJYUGCC-UHFFFAOYSA-N 387.464 4.927 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1 219323740 VLAOLHOJRJEEMJ-HXUWFJFHSA-N 375.896 4.645 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)COc1ccc3ccccc3c1)CC(C)(C)O2 222837794 BBPDKEBOJJRQBF-OAQYLSRUSA-N 391.467 4.646 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 223182404 HJOWTNIZICWBAR-QFIPXVFZSA-N 394.559 4.650 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(C)c(Cl)c1 224164488 MHHAAKAURKPEIY-GOSISDBHSA-N 382.287 4.654 0 40 GJAB COc1cccc(OCc2cc(C(=O)Nc3ccc(F)cc3)ccc2OC)c1 224252451 ADNNQCMFGTVSTK-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 224595966 YBVUKVFACZTYHM-HSZRJFAPSA-N 394.559 4.507 0 40 GJAB CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 224711155 RUUGNOKPIWCOOI-UHFFFAOYSA-N 384.206 4.837 0 40 GJAB COc1ccc2cc(S(=O)(=O)Nc3ccc4c5c(cccc35)CC4)ccc2c1 225201158 VTUATGSCXXZEDD-UHFFFAOYSA-N 389.476 4.901 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 225585587 JDTLWRNPBCSPII-OFNKIYASSA-N 394.559 4.568 0 40 GJAB COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc2sc(N)nc12 226311613 NJQFNFYPCSOKJS-UHFFFAOYSA-N 389.480 4.658 0 40 GJAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC2(CC1)C(F)(F)C2(F)F 649709835 CAFYYVHHNGQZBT-VIFPVBQESA-N 399.215 4.687 0 40 GJAB Cc1ccccc1CC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615161142 VURPCMCPKKNTHN-VXKWHMMOSA-N 380.507 4.725 0 40 GJAB O=C(/C=C/c1cccs1)Nc1ccc(Br)c(Br)c1 652514 LNXZBSNTBCJRFR-GQCTYLIASA-N 387.096 4.925 0 40 GJAB Cc1nc2ccc(N)cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1 930740 XFJNECJUJGWIGP-UHFFFAOYSA-N 375.859 4.656 0 40 GJAB CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 951408 MWSPGEGQIFEDCK-UHFFFAOYSA-N 398.462 4.864 0 40 GJAB Brc1ccc(Nc2ncnc3ccc(Br)cc23)cc1 951928 SMNVGUVRGQJMPG-UHFFFAOYSA-N 379.055 4.898 0 40 GJAB O=C1N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccccc1 981102 QCVZSGYZXGRZJB-PXLXIMEGSA-N 393.446 4.787 0 40 GJAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2ccco2)c1 1006606 LYVLEWXUISENPG-UHFFFAOYSA-N 384.819 4.836 0 40 GJAB O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc(Cl)cc1 1245738 JTASLAQDAOBYCD-QHCPKHFHSA-N 387.866 4.980 0 40 GJAB CCOc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 1261687 KAHRAIGBQUNZHH-UHFFFAOYSA-N 392.846 4.725 0 40 GJAB COc1cc(O)ccc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 1287823 FFULOCGAMUJDLS-FQEVSTJZSA-N 380.831 4.825 0 40 GJAB COc1ccc2cc(-c3nc4cccc(C)n4c3NC3CCCC3)c(=O)[nH]c2c1 1330299 YJQXDXAGSPYYLM-UHFFFAOYSA-N 388.471 4.514 0 40 GJAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 1960717 XABUOPAHYNVDEV-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB CCSc1nnc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)s1 2618975 SBMUIQWDLMJVQM-UHFFFAOYSA-N 390.559 4.572 0 40 GJAB O=C(COC(=O)/C=C/c1cccs1)Nc1c(Cl)cc(Cl)cc1Cl 2623790 WREXLTHZSOBLPM-ONEGZZNKSA-N 390.675 4.903 0 40 GJAB COc1ccc(Br)c(-c2nc(Cc3ccccc3Cl)no2)c1 3583528 YXJKUWKYPREJOA-UHFFFAOYSA-N 379.641 4.752 0 40 GJAB O=C(/C=C/c1cccs1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 4263029 YXNNNVUPSMTRPM-BQYQJAHWSA-N 380.450 4.630 0 40 GJAB CC(=O)NCCc1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C 4385683 JUFHBNXSOUVUOI-UHFFFAOYSA-N 393.531 4.616 0 40 GJAB CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 4505354 WWSARTDSAOIXKL-CYBMUJFWSA-N 392.858 4.509 0 40 GJAB COc1cccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@H](C4)[C@H]23)c1OC 4535156 DRMWSOVOERZZOW-CSVDZTNQSA-N 379.456 4.699 0 40 GJAB Cc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 4592918 OMBHGVXIPDFHQD-FQEVSTJZSA-N 378.859 4.758 0 40 GJAB Cc1ccccc1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2ccccn12 4733720 MJCOHADBDGBZFS-UHFFFAOYSA-N 384.483 4.890 0 40 GJAB CCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(CC)cc12 4894937 AMUNYOZAVRNSFX-UHFFFAOYSA-N 383.492 4.617 0 40 GJAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(Cl)cc1 4966437 QSLABPNBZIXEJR-UHFFFAOYSA-N 385.920 4.768 0 40 GJAB O=C(C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)O)c1ccc(Cl)cc1 5331350 FBJPVZNHDQKPQZ-ZDUSSCGKSA-N 389.782 4.572 0 40 GJAB CCOc1ccccc1NC(=O)COc1ccc(OCc2ccccc2)cc1 6304075 HIUUJPHHLYTYMW-UHFFFAOYSA-N 377.440 4.682 0 40 GJAB CCn1nc(C)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1C 6556014 AJBKOFAQAQZOHG-UHFFFAOYSA-N 384.549 4.696 0 40 GJAB Cc1ccc(OCCSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 6977071 ZTBBNELTKLXYMQ-UHFFFAOYSA-N 388.496 4.809 0 40 GJAB COc1ccccc1N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 6979838 WJSOGEUGIGQZSL-UHFFFAOYSA-N 396.487 4.525 0 40 GJAB Cc1occc1-c1nnc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)o1 7195548 QIHKFWSIHMQQLG-XNRPHZJLSA-N 378.494 4.734 0 40 GJAB COc1ccc(N[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC 7239459 OOZOPSSHTZBWKJ-MRXNPFEDSA-N 376.456 4.810 0 40 GJAB COc1ccccc1OCC(=O)Nc1nc2ccc(SC(F)F)cc2s1 7265002 HHWJVCAWCDPOGW-UHFFFAOYSA-N 396.440 4.637 0 40 GJAB CCOc1cc(CNCc2ccc(OC)cc2)cc(Br)c1OCC 7538522 IZFOUGBQBNOYFP-UHFFFAOYSA-N 394.309 4.545 0 40 GJAB COc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 7614269 DWDSFMQDSLLJBC-UHFFFAOYSA-N 378.497 4.879 0 40 GJAB C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1ccc2c(c1)OCCO2 7734799 LCRZNXIFWDXCEI-KRWDZBQOSA-N 389.451 4.528 0 40 GJAB CC[C@H](CO)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 8327054 QUTCLDQQGRXFRC-QGZVFWFLSA-N 398.728 4.542 0 40 GJAB COc1ccc(Cl)cc1C(=O)/N=c1\sc(C)c(-c2ccc(F)cc2)n1C 8332401 GJPGUIPEBBOCLJ-QOCHGBHMSA-N 390.867 4.604 0 40 GJAB Cc1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 8371562 QODYOFGRZHHAMX-MHWRWJLKSA-N 388.286 4.994 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)cc1C 8428855 DUZPENSJEYYMLR-UHFFFAOYSA-N 388.493 4.768 0 40 GJAB COc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1 9199505 FZXHWCZXYMFSPR-UHFFFAOYSA-N 396.516 4.509 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 10447278 JDNRPGSHSWAOOJ-CQSZACIVSA-N 390.936 4.941 0 40 GJAB Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)ccc1N1CCCC1=O 10956804 INRVWRAJBQPJPH-UHFFFAOYSA-N 398.462 4.998 0 40 GJAB CC(=O)Nc1ccc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1 12538877 LCDRPNDIKZLSRK-UHFFFAOYSA-N 398.466 4.555 0 40 GJAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1N1CCCC1 12556890 URMQWFNKYFVQHR-UHFFFAOYSA-N 386.908 4.547 0 40 GJAB Cc1nc(COc2ccccc2C(=O)Nc2ccc3c(c2)-c2ccccc2C3)no1 12581729 OBIAPIFUFPMNDO-UHFFFAOYSA-N 397.434 4.781 0 40 GJAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2 12781681 UKXOSOSZLVYGIN-UHFFFAOYSA-N 397.500 4.848 0 40 GJAB COc1cc(OC)c(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1Cl 12813191 KVBJVSUSMBEYKI-UHFFFAOYSA-N 397.862 4.673 0 40 GJAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(OCc2ccccc2)c1 14386087 DTICUAZWBJUHAD-UHFFFAOYSA-N 375.424 4.679 0 40 GJAB C[C@@H](CNCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 17312469 OPNXXWHQCBITTP-FQEVSTJZSA-N 382.511 4.887 0 40 GJAB Cc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCC2)c1 19235063 ANOMVNABOWKRNH-VABKMULXSA-N 394.584 4.673 0 40 GJAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(F)c(Cl)cc1Cl 19295244 NHQBROGZUXGOGE-UHFFFAOYSA-N 382.247 4.827 0 40 GJAB COCCn1cc(CN[C@@H](Cc2ccsc2)c2nccs2)c2ccccc21 19594209 QSRJJKWNUIZZLQ-IBGZPJMESA-N 397.569 4.879 0 40 GJAB Cc1noc2nc(SCc3ccc(Cl)cc3)n(-c3ccccc3)c(=N)c12 19897655 UJTDXVQDJUVADY-UHFFFAOYSA-N 382.876 4.747 0 40 GJAB O=C(NCCSc1ccccn1)c1ccc(CSc2ccccc2)cc1 20238819 BYHDFUNPJMMDGL-UHFFFAOYSA-N 380.538 4.896 0 40 GJAB O=C(CSCc1ccccc1)NCc1cc(-c2cc3ccccc3o2)on1 22768776 XWVCOPIWNHLGHI-UHFFFAOYSA-N 378.453 4.637 0 40 GJAB Cc1noc(-c2ccc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)cc2)n1 22969060 MVDNSVIKZFLGCA-UHFFFAOYSA-N 393.830 4.888 0 40 GJAB C[C@H](Sc1nncc2ccccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 24771992 WSTGHCHDMCJQHB-NSHDSACASA-N 393.390 4.648 0 40 GJAB Cc1ccc(C)c(SCc2nnc(C(=O)NCc3ccc(F)cc3)s2)c1 26034504 PAUUZMOARVBJNS-UHFFFAOYSA-N 387.505 4.516 0 40 GJAB C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1cccnc1Cl 28368303 VNTODZMJVLVUGB-CYBMUJFWSA-N 387.867 4.606 0 40 GJAB O=C(CSc1noc(Cc2ccccc2)n1)c1ccc(Cl)c(Cl)c1 28527337 JVBAVONNXOJIPY-UHFFFAOYSA-N 379.268 4.942 0 40 GJAB O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1cc(F)ccc1F 32610580 PCUAGVGHSRSMOY-UHFFFAOYSA-N 382.197 4.769 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(-n3nc(C)c(Br)c3C)cc2)s1 32611498 VBXCKKAUMFAFEW-UHFFFAOYSA-N 390.306 4.874 0 40 GJAB Cc1ccnc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)c1 32826574 YOEKHZJDKMXOEM-UHFFFAOYSA-N 386.377 4.724 0 40 GJAB CCCc1cc(C(=O)OCC(=O)c2ccc(OCC)cc2)c2ccccc2n1 41125370 XNMHIWDMFXEOHZ-UHFFFAOYSA-N 377.440 4.626 0 40 GJAB O=C(Nc1ccccn1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 45574005 ANHVNSGWLRFYJP-UHFFFAOYSA-N 388.858 4.899 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 59746078 IVLXMXYEEYVLET-WMZOPIPTSA-N 382.479 4.830 0 40 GJAB COc1ccccc1Cc1cccc(C2CCN(C(=O)c3ccccc3)CC2)n1 72348640 WQLMWPWLGZXIJG-UHFFFAOYSA-N 386.495 4.701 0 40 GJAB CC(C)n1cc(CCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21 79189038 XNNDEOPLVACUEX-SIKLNZKXSA-N 381.564 4.536 0 40 GJAB biogenic COc1ccc(NC(=O)N2CCO[C@@H](c3cc(Cl)cc(Cl)c3)C2)cc1 90613861 JJLVKQRSGDGRIJ-QGZVFWFLSA-N 381.259 4.607 0 40 GJAB Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2N(C)C(=O)c2ccc(C)s2)s1 95436607 KXHYCSRARBNDDS-IYBDPMFKSA-N 390.574 4.582 0 40 GJAB Cc1c(-c2nnc3sc(COc4ccc(F)cc4)nn23)oc2ccccc12 96194338 PAGGMZOUMNGMAE-UHFFFAOYSA-N 380.404 4.626 0 40 GJAB Cc1ccc(NC(=S)N2[C@H]3CCC[C@H]2CC(NC(=O)C(C)(C)C)C3)c(C)c1 100426916 GAAAWNWBVOYBLN-ROUUACIJSA-N 387.593 4.548 0 40 GJAB O=C(Oc1cccc2ccccc12)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 101913280 ILESWXCPSXWXQE-OYRHEFFESA-N 397.430 4.515 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)ccc21 225107538 JMWHVYUTXOZYQG-CQSZACIVSA-N 384.501 4.612 0 40 GJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225838954 DSMUVEGQRINAJW-YCRPNKLZSA-N 379.497 4.574 0 40 GJAB C[C@@H](NC(=S)Nc1nc(Cl)cc(N2CCCC[C@H]2C)n1)c1ccccc1 260710208 DTPKAVZOOAPMAC-ZIAGYGMSSA-N 389.956 4.556 0 40 GJAB COc1cccc(CN2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 306144815 ZPFZEOMTVOSFMQ-QFIPXVFZSA-N 384.483 4.742 0 40 GJAB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cccnc1Cl 408624851 CPGANPGKHIMFJQ-UHFFFAOYSA-N 385.210 4.844 0 40 GJAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)N(C)c3ccccc3)c12 409204777 KCOZEKMJGUWDJE-UHFFFAOYSA-N 388.389 4.612 0 40 GJAB CC(C)Oc1ccc(-c2ccc(NC(=O)N(C)C[C@H]3C[C@@H](O)C3)c(F)c2)cc1 585123675 HRMPLIHPQQOWIA-RHNCMZPLSA-N 386.467 4.515 0 40 GJAB Cc1cccnc1CN1CCC2(CC1)Oc1ccccc1[C@@H]1O[C@@H](C)CC[C@H]12 643913506 ZSILSQBKJSGXAB-NOXFTYBFSA-N 378.516 4.673 0 40 GJAB Cc1nc(-c2ccccc2NC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cs1 654058595 BULDKTFGRYHYRH-WBMJQRKESA-N 399.438 4.740 0 40 GJAB Cc1ccc2c(C(=O)N(C)CCC(C)(C)C)cc(-c3cnn(C)c3)nc2c1C 1277228964 OXQFPXDSQQMURV-UHFFFAOYSA-N 378.520 4.760 0 40 GJAB C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 1675481770 RBXGSQZERAYESD-WMLDXEAASA-N 379.932 4.573 0 40 GJAB O=C(c1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 822915 DIJLTXWDVDGLAC-UHFFFAOYSA-N 377.399 4.871 0 40 GJAB Cc1cc(C)c2cc(C)c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2c1 924407 OBLALRWHMHZMLL-UHFFFAOYSA-N 394.496 4.662 0 40 GJAB Clc1cccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1 1105446 MZVIIXGDEHTFIN-UHFFFAOYSA-N 382.876 4.927 0 40 GJAB Cc1ccc(C)c(CSc2nnc([C@@H](N)Cc3c[nH]c4ccccc34)o2)c1 1237516 UMWQJERSJYEYIM-SFHVURJKSA-N 378.501 4.703 0 40 GJAB Cc1sc(NC(=O)C(C)(C)C)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C 1365787 NQRPUGIGJCLGQD-UHFFFAOYSA-N 385.533 4.648 0 40 GJAB CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NC3CC3)c2c1 1367477 WSWVLPXLQWFEPA-UHFFFAOYSA-N 377.513 4.538 0 40 GJAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccccc2F)c(-c2ccccc2)c1=O 2197228 WZVBTIVJKGTEJS-UHFFFAOYSA-N 399.425 4.599 0 40 GJAB C[C@@H]1CCc2sc3nc(N4CCCC4)n(-c4ccc(Cl)cc4)c(=O)c3c2C1 2375877 DLZMOPKSRJEBGS-CYBMUJFWSA-N 399.947 4.826 0 40 GJAB CCCCCOC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12 2425913 GRRAEBFNZSEHSW-UHFFFAOYSA-N 394.500 4.624 0 40 GJAB CCc1nc(SCC(=O)Nc2c(F)cccc2F)c2oc3ccccc3c2n1 2446852 SZBLAAFMLAFFER-UHFFFAOYSA-N 399.422 4.947 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3ccccc3)cc2)c1 2617361 AKMLBCYNZCWGTP-KRWDZBQOSA-N 387.435 4.740 0 40 GJAB Clc1ccccc1OCc1ccc(-c2nc3c4ccccc4ncn3n2)o1 2806680 LVQJBHISQCRGEF-UHFFFAOYSA-N 376.803 4.770 0 40 GJAB O=c1nc2n(c3ccccc13)CC/C2=C/c1ccc(OCc2ccccc2)cc1 5021770 AXMMXAPWUYOVAJ-SILNSSARSA-N 380.447 4.920 0 40 GJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1C 6235015 RTKRXJDWKPEKOW-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccc(NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1 6288949 RPYWJOISHKHXTN-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB O=C(CSCCCSCC(=O)c1ccc(F)cc1)c1ccc(F)cc1 6471980 LAVSFEVLCXPIJH-UHFFFAOYSA-N 380.481 4.887 0 40 GJAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 6934870 GSKXMDPCINXZQF-UHFFFAOYSA-N 376.456 4.715 0 40 GJAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(Cl)cc1 7192541 GIWLAPYICMFPJB-JTQLQIEISA-N 377.828 4.648 0 40 GJAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NCc4cccs4)cc3)c2O1 7454092 TUHDQFUNUZIGQG-UHFFFAOYSA-N 393.508 4.971 0 40 GJAB C[C@H](OC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)N1CCCCCC1 7832088 CYKUINCEYWOBMM-AWEZNQCLSA-N 375.852 4.548 0 40 GJAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(SC(F)(F)F)cc2)c1C 7965001 IYWRDFBYKYEKSY-UHFFFAOYSA-N 396.434 4.626 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2c(C)cc(C)cc2C)cc1 8090670 FBBOCGUNYFJXAJ-UHFFFAOYSA-N 380.517 4.540 0 40 GJAB CCSc1ccccc1C(=O)Nc1ccc(I)cc1C 8478024 LBRRXWSWXGGKSK-UHFFFAOYSA-N 397.281 4.964 0 40 GJAB CCN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2Oc2ccccc21 9134622 KUNGOIBCOGCGKE-UHFFFAOYSA-N 376.387 4.850 0 40 GJAB COC(=O)c1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1 10295457 DYHKDJCTUXYHCK-UHFFFAOYSA-N 384.284 4.652 0 40 GJAB Cc1cc(C(=O)NCc2ccc(Cl)cc2Cl)c2cnn(C(C)C)c2n1 10958350 QNKYNAGWFKLZTN-UHFFFAOYSA-N 377.275 4.557 0 40 GJAB O=C(Nc1ccc(F)cc1)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 11694499 KAGLMZHDJDZFCI-UHFFFAOYSA-N 377.423 4.527 0 40 GJAB O=C(NCc1nc2ccccc2[nH]1)c1ccccc1OCc1ccc(Cl)cc1 12581579 ZCISIGGXGJQWMC-UHFFFAOYSA-N 391.858 4.725 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 12844400 RRBKVTOSOACLBE-TXEJJXNPSA-N 399.438 4.637 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)cc1 13009807 XBCOVQXABSPNCU-UHFFFAOYSA-N 398.470 4.583 0 40 GJAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 13685548 UDIWLMJOMJMNFG-INIZCTEOSA-N 390.483 4.774 0 40 GJAB COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1 15081522 JYPUVNRTPNIZPS-OAHLLOKOSA-N 379.437 4.596 0 40 GJAB CCOc1cc2c(cc1OCC)[C@@H](c1cccc(OC(F)(F)F)c1)NCC2 19848565 VIFWHSSFBKKRDF-LJQANCHMSA-N 381.394 4.618 0 40 GJAB O=C(COCc1cc(-c2cccs2)on1)Nc1cccc(C(F)(F)F)c1 20438147 QKUYSCACQZOYGE-UHFFFAOYSA-N 382.363 4.577 0 40 GJAB O=C(Nc1ccccc1F)[C@@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 20737414 IWOMCSCWOPVQSV-INIZCTEOSA-N 384.798 4.514 0 40 GJAB CCc1c(C)n(CC(=O)c2ccc3ccccc3c2)c2nc3ccccc3n2c1=O 20798325 FNIXPJKAMOFUSL-UHFFFAOYSA-N 395.462 4.556 0 40 GJAB Cc1noc(C)c1COC(=O)c1ccccc1Cc1nc2ccccc2s1 25131728 HNGVMQCKJNEESJ-UHFFFAOYSA-N 378.453 4.849 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)CCc2cc3ccccc3o2)cc1OC 25617115 HBZXCCGHAMTTIK-LJQANCHMSA-N 379.456 4.746 0 40 GJAB Cn1ccnc1[C@@H](NCc1ccc(SC(F)(F)F)cc1)c1ccccc1 30643810 LTDMTIFGENAJRI-KRWDZBQOSA-N 377.435 4.911 0 40 GJAB COc1ccc(C(=O)Oc2ccc3c(-c4ccccc4)noc3c2)cc1OC 32095994 BKGFFRMTEDPVGM-UHFFFAOYSA-N 375.380 4.731 0 40 GJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)C2(c3cccc(Cl)c3)CCCC2)c1 32161326 VOXYFNUTAUZELG-OAHLLOKOSA-N 384.907 4.988 0 40 GJAB CN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccc(-c2ccccc2F)s1 36392966 LYYTWSUAISSGHX-DHZHZOJOSA-N 395.455 4.955 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2ccccc2O)CC1 40096367 GBVOWYKKCMTQGP-UHFFFAOYSA-N 381.520 4.993 0 40 GJAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NCc1ccc(F)cc1 41128087 WGPACGKWRSTEFU-KRWDZBQOSA-N 396.289 4.961 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 44846666 GJRVUFMTNPIJOD-GOSISDBHSA-N 375.852 4.540 0 40 GJAB CCCn1cc(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c2cc(F)ccc21 64963711 SMRJLNZASAGCKB-UHFFFAOYSA-N 383.810 4.921 0 40 GJAB CCCc1cc(-c2nc(C)c(C(=O)Nc3nnc(C(C)C)s3)s2)ccn1 71280273 MYENDYUFHOPDNR-UHFFFAOYSA-N 387.534 4.693 0 40 GJAB Cc1cc2oc(C(=O)Nc3ccc(Br)cc3)cc(=O)c2cc1Cl 72238564 BLFSAMRBLMRSPB-UHFFFAOYSA-N 392.636 4.770 0 40 GJAB O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ncoc1[C@@H]1CCCO1 84525566 AVAYDMWVNSRTKL-ZBFHGGJFSA-N 395.484 4.507 0 40 GJAB CC1(C)[C@H]2CC[C@@]1(C)CN(C[C@H](O)Cn1c3ccccc3c3ccccc31)C2 100330046 DNUFRGCCNUMJNP-MHPIHPPYSA-N 376.544 4.914 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1C 222954592 YJCQKUADLIHPMZ-FXAWDEMLSA-N 382.504 4.628 0 40 GJAB S=C(Nc1ccc(N2CCc3ccccc3C2)nc1)NC1CCCCCC1 224042303 QPZIPULPSBWPDW-UHFFFAOYSA-N 380.561 4.654 0 40 GJAB COc1ccc(OCc2cc(C(=O)NC3CCCCCC3)ccc2OC)cc1 224262247 BIDNGSABTMZSLA-UHFFFAOYSA-N 383.488 4.735 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1C 224718385 NHRVONYIIJPLQH-HNNXBMFYSA-N 399.541 4.853 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NC1CCCCC1 225246733 KJLLOJDWSDPFPE-SFHVURJKSA-N 399.362 4.960 0 40 GJAB C[C@@H](O)c1ccc(C2(CNC(=O)C3(c4ccc(F)cc4)CC3)CCCC2)s1 225682238 YTCXRXYPADSCAJ-OAHLLOKOSA-N 387.520 4.600 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(SCC(C)C)s1 225817936 DYSSMZBHKMGCGU-HNNXBMFYSA-N 379.551 4.699 0 40 GJAB Cc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1Cl 225832886 ODCKOMZHBRQDAI-UHFFFAOYSA-N 393.299 4.838 0 40 GJAB Cc1cccnc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257306167 STEOALLMYGCOSX-LJQANCHMSA-N 395.890 4.990 0 40 GJAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 408625779 FORCGCJUJAEEAM-INIZCTEOSA-N 397.544 4.591 0 40 GJAB Cc1cc(C)c2nc(SCC(=O)c3ccc4c(c3)OCCO4)c(C)cc2c1 932943 PAXGYVLAAFOLLD-UHFFFAOYSA-N 379.481 4.906 0 40 GJAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccc1OC 947872 JKZDEUOBAWJITF-UHFFFAOYSA-N 399.443 4.992 0 40 GJAB COc1ccc(OC)c(C(=O)CSc2nc(C(C)C)nc3ccccc23)c1 1343012 NAOIOZOGWCTZLN-UHFFFAOYSA-N 382.485 4.745 0 40 GJAB O=C(c1ccccc1Oc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 2310211 KTVYNRVBDRUNGG-UHFFFAOYSA-N 376.431 4.580 0 40 GJAB Cc1ccc2c(COC(=O)CCCc3nc4ccccc4s3)cc(=O)oc2c1 2656856 IPISRYQNCMMTSH-UHFFFAOYSA-N 393.464 4.777 0 40 GJAB OCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 2715100 SXNWTOVUVWJEET-UHFFFAOYSA-N 378.863 4.535 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1 3117412 AENGMXHGRBDJBT-HXUWFJFHSA-N 393.487 4.551 0 40 GJAB biogenic O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1cc(Cl)cc(Cl)c1 3239148 WJLPZBNORCTGPV-UHFFFAOYSA-N 394.588 4.721 0 40 GJAB Cc1cccc(OCC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1 3655417 VTGUGKSCDGMXIN-UHFFFAOYSA-N 385.419 4.990 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 3850241 XWJTYEGVQBFZHI-IKFXQDCISA-N 390.564 4.542 0 40 GJAB COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@]21CCOC(C)(C)C1 4039407 FMIWDKMHNWWDFR-CVDCTZTESA-N 378.472 4.524 0 40 GJAB biogenic C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1cccc2ccccc12 4326754 HIXLDMYAZPXFOG-CYBMUJFWSA-N 376.437 4.634 0 40 GJAB N=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S1 4673497 PWHSITCITDTFFJ-NVNXTCNLSA-N 379.268 4.711 0 40 GJAB CCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2c(CC)cccc12 4894915 JXBKDKBQEOWPPU-UHFFFAOYSA-N 383.492 4.617 0 40 GJAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 5400489 HAYPYZIJJAUFIK-UHFFFAOYSA-N 388.895 4.599 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)Cc2c(F)cccc2Cl)cc1OCC 5510618 VACCGJCRGIHCCL-CYBMUJFWSA-N 379.859 4.696 0 40 GJAB CC(C)N(C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12)C(C)C 6376094 CDAKVDRKXOJXMA-UHFFFAOYSA-N 387.480 4.522 0 40 GJAB Cc1n[nH]c(S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)O)n1 6588287 XZIXQJWMYHVUKC-AUWJEWJLSA-N 396.255 4.898 0 40 GJAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccc2ccccc12 7389474 RKOPXUVLWYAVSS-UHFFFAOYSA-N 379.419 4.973 0 40 GJAB COc1ccc(CNCc2ccc(OCCc3ccccc3)c(OC)c2)cc1 7540244 DSFWQTWONKJMNW-UHFFFAOYSA-N 377.484 4.615 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2)cc1 7601277 XSCFOJFZIBULLS-UHFFFAOYSA-N 388.924 4.869 0 40 GJAB O=C(COc1ccc(F)c(Cl)c1)N[C@H](c1ccccc1)c1cccs1 8099067 SLGXUYDUDPDGNZ-LJQANCHMSA-N 375.852 4.825 0 40 GJAB CCOc1ccccc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 8185658 BVGXMIRMUIBYDJ-UHFFFAOYSA-N 379.412 4.596 0 40 GJAB Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1C 8314012 CYYCQJBWFNHEKC-UHFFFAOYSA-N 379.456 4.947 0 40 GJAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2cc(Cl)ccc2o1 8349987 IBLSQAHRYRZBNG-ZDUSSCGKSA-N 380.835 4.500 0 40 GJAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc3cc(C)c4ccccc4n23)c1C 8845913 VFZPUTSBGSNEJB-INIZCTEOSA-N 390.512 4.927 0 40 GJAB Brc1cccc(-c2noc(CCCCc3nc4ccccc4[nH]3)n2)c1 8992927 PXLJGLBKAWMXEX-UHFFFAOYSA-N 397.276 4.941 0 40 GJAB CCSc1ccccc1C(=O)Nc1nnc(CCCOc2ccccc2)s1 9614713 ZIYDDRGIMBCAIQ-UHFFFAOYSA-N 399.541 4.914 0 40 GJAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N(C)Cc4ccc(C)o4)sc32)cc1 9646102 BBFNVTULBKPMDS-UHFFFAOYSA-N 393.512 4.937 0 40 GJAB Cc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c(Cl)c1 11620713 NRLCIIKBWMKSKQ-UHFFFAOYSA-N 378.303 4.953 0 40 GJAB Cc1ccccc1CSc1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 11903937 XLTOVVNMPKBLQH-UHFFFAOYSA-N 389.521 4.785 0 40 GJAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3ccncc3)on2)cc1 12120246 WRUYQMTVHQLIBE-FQEVSTJZSA-N 377.444 4.503 0 40 GJAB COc1cc([C@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccc(F)cc1 12419396 YZIFHLBMNQFCEB-MRXNPFEDSA-N 383.444 4.949 0 40 GJAB COc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)cc(Cl)c1OC 12738073 FJAZHEUWWYMJRY-UHFFFAOYSA-N 391.876 4.854 0 40 GJAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)c(Br)c1 12763961 SFBJBJJUAHSRNJ-UHFFFAOYSA-N 396.288 4.684 0 40 GJAB C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1Cl 12982864 KQLCXUDCHMPGAT-LLVKDONJSA-N 392.311 4.932 0 40 GJAB C[C@@H](c1ccccc1)N(C)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12992442 KBTYZWYRZQVUPD-HNNXBMFYSA-N 375.497 4.845 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 20494503 CBUWSZFRKKAKKZ-UHFFFAOYSA-N 375.516 4.727 0 40 GJAB Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(C)cc4C)c(=O)n23)cc1 20768035 LTLLHUOIZGWHLL-UHFFFAOYSA-N 389.480 4.601 0 40 GJAB COc1ccccc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 21216754 BGXSXSVZRYOTPK-UHFFFAOYSA-N 377.375 4.598 0 40 GJAB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1cc2ccccc2o1 21577297 YUPHOJHLYIMMSP-UHFFFAOYSA-N 397.475 4.689 0 40 GJAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)c1 21595289 CZCKGVVMQAUGLO-OAHLLOKOSA-N 393.512 4.847 0 40 GJAB FC(F)(F)c1nc2ccccc2n1Cc1nc(-c2ccc(Cl)cc2)no1 29300974 SXNQJANDGSYUNC-UHFFFAOYSA-N 378.741 4.807 0 40 GJAB Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](C)c4ccccc4)c(C)c3cc12 30819234 NOYKMUOHZGFCKC-MRXNPFEDSA-N 389.451 4.966 0 40 GJAB C[C@H](c1cccs1)N(C)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 32842050 LIHYMYFIKGYBMJ-MRXNPFEDSA-N 391.496 4.808 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2ncnc3c2[nH]c2ccc(F)cc23)c(C)c1 33172669 FEQVZBGNLPXLFL-UHFFFAOYSA-N 394.475 4.906 0 40 GJAB O=C(NC1CC1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 36365271 SOIOWUZAPSHFQC-NRFANRHFSA-N 392.474 4.551 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 40478256 GMHRPYCDBIDKLE-UHFFFAOYSA-N 385.851 4.780 0 40 GJAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(Cl)cc1 41076928 WJXHKLJDFACTFI-UHFFFAOYSA-N 383.879 4.852 0 40 GJAB COc1cc(Br)c2oc(-c3cc(Br)ccc3N)nc2c1 45920222 CEEHZRGJTWDGEB-UHFFFAOYSA-N 398.054 4.611 0 40 GJAB O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccccc1Cl 51315362 FMNSKFFCVBFRDJ-UHFFFAOYSA-N 398.724 4.646 0 40 GJAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 72378857 SQFLDTIYBPHCIN-GOSISDBHSA-N 392.478 4.550 0 40 GJAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NC5CC5)cc34)cs2)cc1 96154486 PIUQHKQUVUQQGD-UHFFFAOYSA-N 375.453 4.819 0 40 GJAB CCOc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1 102571400 QVCNIWILIMHOHS-VGSWGCGISA-N 386.455 4.742 0 40 GJAB CO[C@@H](CNC(=O)CCc1ccccc1Br)c1ccccc1Cl 206852067 BSFFQZGKXRGJCX-KRWDZBQOSA-N 396.712 4.539 0 40 GJAB CSc1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219459013 ADBNJDPZAJHAHO-UHFFFAOYSA-N 376.481 4.941 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccccc1 225458602 QMEKXENIAGVFTR-RXVVDRJESA-N 398.572 4.501 0 40 GJAB CC[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(OC)c(C)c1 225624799 NALLDYXCOFSZFH-KRWDZBQOSA-N 376.294 4.576 0 40 GJAB Cc1cc(N2CCC[C@@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)nc(C)n1 257230644 GDFLREQPMYYLHV-GOSISDBHSA-N 394.469 4.741 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)cc2)C1 260922448 GSWWDFXTXDVUCL-OALUTQOASA-N 376.544 4.898 0 40 GJAB O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(Cl)c1 408593554 BGQPDKFZULUTJP-UHFFFAOYSA-N 377.655 4.913 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2ccccc2)n1 408698600 OKUYXGLHQZGPJX-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)c3ccc(Cl)cc3)n21 882965 YYMPOFLUWKYBJY-UHFFFAOYSA-N 383.904 4.865 0 40 GJAB CC[C@@H](C)NC(=S)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 920027 NIVBXSKTRNXVAO-MRXNPFEDSA-N 385.577 4.644 0 40 GJAB CCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2cc(Cl)ccc21 1024519 VJKCLYJOIXMANL-UHFFFAOYSA-N 394.780 4.946 0 40 GJAB Cc1nc(SCC(=O)NCc2ccccc2)c2c3c(sc2n1)C[C@H](C)CC3 1326146 HTAFRHMPWPNRSC-CYBMUJFWSA-N 397.569 4.533 0 40 GJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(F)c1 2453407 TVWQPFKLWSDVEV-UHFFFAOYSA-N 377.872 4.962 0 40 GJAB C[C@H](OC(=O)c1ccccc1Nc1ccccc1)C(=O)NCCC1=CCCCC1 2636585 BISUOVAGZHKILX-SFHVURJKSA-N 392.499 4.982 0 40 GJAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3C)ns2)cc1 2917599 WMLBELIVQBSVGB-UHFFFAOYSA-N 385.514 4.643 0 40 GJAB O=C(NC1CCCCC1)C1CCC(CNc2nc(=S)[nH]c3ccccc23)CC1 2949129 CSMGSFKSIHQLMK-UHFFFAOYSA-N 398.576 4.960 0 40 GJAB O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccccn2)cs1 4303376 CPZKURJPANAXAD-UHFFFAOYSA-N 375.906 4.979 0 40 GJAB CN(C(=O)C(=O)c1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1 4709128 CFUNDFQDTFJXJR-UHFFFAOYSA-N 386.426 4.674 0 40 GJAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc(Cl)s3)nnc12 5060124 BLXMCHKTMDDUJD-HUTHGQBESA-N 379.938 4.736 0 40 GJAB COc1ccc(-c2nn(CN3CCc4ccccc4C3)c(=S)n2C(C)C)cc1 5066557 NQRIIXXACVTCKJ-UHFFFAOYSA-N 394.544 4.686 0 40 GJAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3cccs3)C[C@@H]21 5091720 VLVMKDUFEQPIAC-SFHVURJKSA-N 397.544 4.501 0 40 GJAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3F)=NN12 5092390 HSALKJXCUWIUCN-NRFANRHFSA-N 379.479 4.570 0 40 GJAB Cc1ccc2cc3c(NC(=O)c4ccc(F)cc4)nn(CC(C)C)c3nc2c1 5158131 LWSFVDIJEOWFFQ-UHFFFAOYSA-N 376.435 4.940 0 40 GJAB CN(C)CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 5239713 YGZFYTXDBSAHDZ-UHFFFAOYSA-N 393.434 4.524 0 40 GJAB Cc1ccc2c(CC(=O)Nc3ccccc3C(=O)N3CCCCC3)coc2c1C 6848668 MVNMZBKOKKUSHW-UHFFFAOYSA-N 390.483 4.857 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)CSc2nccn2-c2cccc(F)c2)cc1C 6972967 LAVFJNBQDNDVEU-MRXNPFEDSA-N 383.492 4.598 0 40 GJAB O=C(OCc1nnc(-c2cccs2)o1)c1cccnc1Sc1ccccc1 8072335 SFGCREHLWLPDCJ-UHFFFAOYSA-N 395.465 4.701 0 40 GJAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O 8556419 GBFKMQOCLVYMHM-LJQANCHMSA-N 375.516 4.784 0 40 GJAB Cc1cccc(CN2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)c1 9063013 XIAGBBHOODKJEK-UHFFFAOYSA-N 391.342 4.830 0 40 GJAB COC(=O)c1sccc1NC(=O)CSc1c(Cl)cccc1Cl 9657079 NRIQLGPAAUHCIX-UHFFFAOYSA-N 376.286 4.572 0 40 GJAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 11327549 PKPYFYDLAMMHTG-UHFFFAOYSA-N 384.435 4.934 0 40 GJAB C[C@H]1CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)C[C@H](C)O1 11560683 DGEAQYMWAGSDAC-HOTGVXAUSA-N 380.463 4.542 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)OCc3nc4ccccc4s3)o2)cc1 11643673 KIRTYNCELUUYQW-UHFFFAOYSA-N 378.453 4.936 0 40 GJAB O=C(c1cccs1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 12420860 SGFWKWNXRBEFIE-FQEVSTJZSA-N 384.464 4.683 0 40 GJAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3o2)CC1 12820143 STEPRARXALCIHD-INIZCTEOSA-N 389.499 4.523 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Br)o2)cc1 14068543 MSPZVGJOHMEPOV-HNNXBMFYSA-N 378.266 4.808 0 40 GJAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)N(Cc1ccccc1F)C1CC1 18956709 ZSSSGCPXFLPJCP-UHFFFAOYSA-N 389.883 4.639 0 40 GJAB COc1cc(CN2CCC(c3cc4cccnc4[nH]3)CC2)ccc1OC(C)C 19450760 CVLZEHJALRDHJE-UHFFFAOYSA-N 379.504 4.738 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3ccncc3)cc2n1 19452368 LLPFYQPXMXWONH-KRWDZBQOSA-N 389.425 4.604 0 40 GJAB COc1cccc(CN(Cc2ccc(F)c(F)c2)Cc2ccccn2)c1OC 19567525 HVYYLPUIJRQKJI-UHFFFAOYSA-N 384.426 4.579 0 40 GJAB CC(=O)Nc1cccc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)c1 20729869 TXGQPUUSWTZHPA-UHFFFAOYSA-N 383.451 4.905 0 40 GJAB COc1ccc(C(=O)CSc2nccn2-c2cccc(Cl)c2)cc1F 26047930 CZDBVYNSZIBLQU-UHFFFAOYSA-N 376.840 4.648 0 40 GJAB O=C(OCc1ccc(Cl)nc1)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 26631136 ZMJXNKIWJZNQGX-GOOCMWNKSA-N 383.966 4.781 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2ccc3c(c2)OCO3)cc1 27161400 NHRCMIONRSJALN-HXUWFJFHSA-N 381.472 4.500 0 40 GJAB CCSCn1nnc(-c2ccc(F)cc2)c1C(=O)Nc1ccccc1CC 32611808 GTPRTEJLBNEULT-UHFFFAOYSA-N 384.480 4.610 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(CCOC)CCC3)cc1 35588041 WHWDDRFCLWRUFE-UHFFFAOYSA-N 382.504 4.517 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(OC(C)C)cc2)cc1 36357794 GTJANMGHETVLFJ-IBGZPJMESA-N 377.444 4.792 0 40 GJAB CC(C)Sc1cccc(-c2nnc(NC(=O)c3cc(-c4ccco4)on3)o2)c1 36709550 GZWJXEDRWCGJRX-UHFFFAOYSA-N 396.428 4.737 0 40 GJAB CN(C(=O)/C=C/c1ccc(OCc2ccccn2)cc1)[C@H]1CCc2ccccc21 40080073 NDTSQHAALARBJM-VLSFKVKESA-N 384.479 4.820 0 40 GJAB O=C(c1ccccc1Br)N1CCC(N2CCCc3ccccc32)CC1 40150169 KTBHKVYSXOEILO-UHFFFAOYSA-N 399.332 4.507 0 40 GJAB COc1cccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(F)cc2)c1 40485450 PEHJPKHNSGXTIB-JOCHJYFZSA-N 389.426 4.887 0 40 GJAB C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1cccs1 56956147 OGTNDDJRDTVCIO-QFIPXVFZSA-N 393.464 4.587 0 40 GJAB CCn1cc(-c2nc(-c3ccc(SC)cc3)no2)c(=O)c2cc(C)ccc21 57354793 XVPMBYFEQFSWBC-UHFFFAOYSA-N 377.469 4.769 0 40 GJAB Cc1ccccc1Nc1nn(CN(Cc2ccncc2)C2CC2)c(=S)s1 57403257 SSEURTUCIXOFJG-UHFFFAOYSA-N 383.546 4.743 0 40 GJAB O=C(c1ccc2c(O)[nH]c(=S)nc2c1)N1CCC[C@H]1c1ccc(Cl)cc1 63810387 SPZUWRYVQSFIKW-INIZCTEOSA-N 385.876 4.629 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2F)nc1 67296525 VQSZOPYRERZUMQ-ROMGYVFFSA-N 391.377 4.899 0 40 GJAB COC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1 67297398 ZJUJPBINEJONTF-RWEWTDSWSA-N 398.418 4.704 0 40 GJAB CCCCN(C(=O)Cc1csc(N2CCCC2=O)n1)[C@@H](CC)c1ccccc1 72285128 JYEREQKHVPRMGH-IBGZPJMESA-N 399.560 4.592 0 40 GJAB O=C(c1ccncc1)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 72349177 PHEIVQMZMKYGMH-UHFFFAOYSA-N 391.902 4.741 0 40 GJAB Fc1ccc([C@H]2CN(C(=S)Nc3ccc(SC(F)F)cc3)CCO2)cc1 84393630 JEOJWWOUVIMKJG-MRXNPFEDSA-N 398.475 4.911 0 40 GJAB O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ncoc1[C@@H]1CCCO1 84525567 AVAYDMWVNSRTKL-HOCLYGCPSA-N 395.484 4.507 0 40 GJAB CCc1ccc(OCCc2nnc(NC(=O)c3ccccc3Cl)s2)cc1 95116397 NTSFFBBZVNQTCX-UHFFFAOYSA-N 387.892 4.628 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1C 95963017 BCYQAFBTMLVKPT-UHFFFAOYSA-N 397.862 4.714 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 96234474 SUDFXQXHSLGQCF-LJQANCHMSA-N 375.468 4.771 0 40 GJAB CC[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(C)cc1C 218819466 SOHIANORTWETSX-SFHVURJKSA-N 376.294 4.712 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c(C)c1 224081356 VKEYGUPMMNAWPO-HNNXBMFYSA-N 399.541 4.853 0 40 GJAB CC[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(OC)cc1 224389768 YJWLCINHXCDWLF-IBGZPJMESA-N 391.533 4.565 0 40 GJAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1 224884424 VBYIWERHFDMMEP-UHFFFAOYSA-N 392.421 4.744 0 40 GJAB COc1cc(C)c(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C(C)C 225668380 CUWBNILCVJTWSJ-UHFFFAOYSA-N 396.531 4.852 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(CC)cc2Br)cc1 225835244 UANDVUADWXRHKK-CQSZACIVSA-N 390.321 4.830 0 40 GJAB CC(C)(C)C(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 408628374 SBJSXTIEWCLZNH-UHFFFAOYSA-N 386.908 4.742 0 40 GJAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)Cc1ccc(-c2ccccc2)cc1 408714080 HZYARIBWKXOWBL-UHFFFAOYSA-N 383.451 4.605 0 40 GJAB COc1ccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccc(Cl)cc2)cc1 408846443 SKJVOJSJSRAHHG-XSFVSMFZSA-N 389.842 4.578 0 40 GJAB CC(=O)N1CCCCCCN(C(=O)c2ccccc2Cl)Cc2ccccc21 643588471 GGLUIKJFURLOHI-UHFFFAOYSA-N 384.907 4.909 0 40 GJAB CC[C@H](C)Oc1cc(NCc2ccccc2CN2CCCCCC2)nc(C)n1 1639460395 SGQLUSWLNBHGIB-SFHVURJKSA-N 382.552 4.950 0 40 GJAB O=C(Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1)c1ccccc1 1363078 MZJRZJOPBVTDJO-UHFFFAOYSA-N 395.462 4.575 0 40 GJAB CCOc1ccc(-c2csc3ncn(CCOc4ccccc4)c(=O)c23)cc1 1787564 HMMCXIHLJBXCOQ-UHFFFAOYSA-N 392.480 4.603 0 40 GJAB CCCCc1nc2sc3c(NCCCN(C)C)ncnc3c2c2c1CCCC2 2295560 ONKNSLCOWGNOLR-UHFFFAOYSA-N 397.592 4.825 0 40 GJAB CC(=O)NCCC(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)s1 2651951 FBGURHCXJLNRRS-UHFFFAOYSA-N 393.512 4.559 0 40 GJAB COc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2cccc(C)c2)cc1 2726215 LPQGYSKDMURQJE-HXUWFJFHSA-N 393.512 4.855 0 40 GJAB Cc1c(Cl)cccc1-n1c(SC[C@@H]2CCCO2)nnc1-c1ccncc1 3350653 CLGFQGLGVMTNEB-HNNXBMFYSA-N 386.908 4.562 0 40 GJAB COc1cc(NC(=S)NCCSc2ccc(C)cc2)c(OC)cc1Cl 3641022 BSWXCHVDHQCBOV-UHFFFAOYSA-N 396.965 4.744 0 40 GJAB CCCCNC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 4132745 AWBWHRNALZTCLJ-UHFFFAOYSA-N 399.604 4.954 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 4163595 CPDUPAIQIRNCPZ-UHFFFAOYSA-N 396.490 4.997 0 40 GJAB C[C@H]1CCCN(C(=O)Nc2cccc(NC(=O)N3CCC[C@@H](C)[C@H]3C)c2)[C@H]1C 4399809 SMTHNRGBDWWTEJ-USTZCAOPSA-N 386.540 4.991 0 40 GJAB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(N3CCc4ccccc4C3)ncc21 4777135 CZNPTYIMVUBLMX-GOSISDBHSA-N 389.886 4.605 0 40 GJAB O=C1C2=C(CCCC2)[C@H](c2c[nH]c3ccccc23)N1Cc1ccc2c(c1)OCO2 4778867 KWEHFUQPBCDEOV-HSZRJFAPSA-N 386.451 4.851 0 40 GJAB Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)c1 4784289 RLCOGUKMXBFSJO-AREMUKBSSA-N 399.490 4.619 0 40 GJAB COc1cc2sc(NC(=O)c3ncoc3-c3ccccc3)nc2cc1Cl 5001961 VFSWREVVMRYDHV-UHFFFAOYSA-N 385.832 4.866 0 40 GJAB CCOc1ccc(-c2nnc(SCCC(C)=O)n2-c2ccccc2F)cc1 5230719 GLKJGJKXJMXBQV-UHFFFAOYSA-N 385.464 4.543 0 40 GJAB O=C(c1ccc(F)cc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 5264934 WWHAPCPPUYVQBY-UHFFFAOYSA-N 381.407 4.817 0 40 GJAB COc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl 6282187 IYPTYAKJMOHZNM-UHFFFAOYSA-N 380.680 4.765 0 40 GJAB COc1ccc(Br)cc1-c1nc(CSc2nccn2C)cs1 6370351 QWUYQWKGVKGIAW-UHFFFAOYSA-N 396.335 4.607 0 40 GJAB Cc1nc(SCC(=O)N(C)[C@@H]2CCCc3ccccc32)c2ccccc2n1 6851436 HYVOXVWCBUIHJI-HXUWFJFHSA-N 377.513 4.566 0 40 GJAB Cc1occc1-c1nnc(SCc2ccc(Br)cc2F)n1C 7236439 RJLDMJBFNUWEBS-UHFFFAOYSA-N 382.258 4.577 0 40 GJAB Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1CCC1=CCCCC1 8038158 HAYGUIVDMGTZIA-UHFFFAOYSA-N 395.528 4.650 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)c1 8355439 ZRUHBVFPQRLQCJ-CYBMUJFWSA-N 379.909 4.717 0 40 GJAB COc1ccc(CCNCc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 8550142 OOVLOCHAIGHGCW-UHFFFAOYSA-N 391.511 4.924 0 40 GJAB O=C(NC1CC1)[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 8943469 AGQAPLISDIIEJT-CQSZACIVSA-N 386.826 4.866 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCn1c(=O)n(C)c2ccccc21 11327393 HFPFXZGULSRVDG-UHFFFAOYSA-N 379.504 4.616 0 40 GJAB COc1cc(C(=O)N[C@H](C)c2ccncc2)ccc1OCc1ccccc1Cl 12551849 USLOUNQGIMOOKT-OAHLLOKOSA-N 396.874 4.814 0 40 GJAB Cc1cc(C)cc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 12755834 DVSVMMUSLUPJKC-KRWDZBQOSA-N 380.513 4.698 0 40 GJAB COc1ccc([C@H]2CCCCCN2Cc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 12851742 SQYFUXLLUVNUBI-HXUWFJFHSA-N 397.906 4.702 0 40 GJAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1Cl 13708616 NWBXIOQGXZXTKS-ZDUSSCGKSA-N 383.831 4.686 0 40 GJAB COc1cc2ccccc2cc1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 14635477 AZEXDZRAGIZTGT-HSZRJFAPSA-N 391.467 4.747 0 40 GJAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1C 15883048 GFKUCUVKOAUXFY-UHFFFAOYSA-N 384.838 4.558 0 40 GJAB CCNc1nc(SCc2cc(=O)oc3cc(C)ccc23)nc2ccccc12 16397381 IJTFHRFSEAFPEI-UHFFFAOYSA-N 377.469 4.769 0 40 GJAB CC(=O)N1CCc2sccc2[C@@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 19018102 ZHZJDODMMGGPJK-NRFANRHFSA-N 394.471 4.634 0 40 GJAB CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccc(F)cc1)C3 20412318 RFJBFSDBQAVPEB-UHFFFAOYSA-N 381.447 4.506 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccccc1OC 20454017 QNQLCJSXKGOWRO-QFIPXVFZSA-N 377.484 4.755 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 22522318 HBAWWSAMBZVRIN-IFXJQAMLSA-N 393.936 4.803 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2ccc(F)cc2)C1=O 22987720 JOXJSTFBXBFFHG-QGZVFWFLSA-N 377.868 4.793 0 40 GJAB Cc1ccc(-c2nc(CSc3nnnn3-c3cccc(C)c3C)co2)c(C)c1 23006772 CGCQXFFBFPXGMW-UHFFFAOYSA-N 391.500 4.843 0 40 GJAB O=C(Nc1nccs1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 23244053 RJBNTPIPOQWOPD-UHFFFAOYSA-N 394.887 4.961 0 40 GJAB Cc1cccc(NC(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c1 27921098 VYAYBJXWMGRGQQ-UHFFFAOYSA-N 385.265 4.646 0 40 GJAB Cc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)cc1F 32117790 LOLGWNMCYFSFEG-UHFFFAOYSA-N 383.370 4.906 0 40 GJAB CN(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)[C@H]1CCCc2ccccc21 32898769 WHJUWZNMBMKBAD-QHCPKHFHSA-N 396.494 4.629 0 40 GJAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(Br)cc1 33794997 KTUULZXJYGJBCA-UHFFFAOYSA-N 379.685 4.955 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1C 36648657 VHSHRQPAOSBUER-FQEVSTJZSA-N 399.494 4.877 0 40 GJAB CC1(C)CC(N(Cc2cccnc2)Cc2cccc3cccnc23)CC(C)(C)N1 36740532 KRTOSUJOIIBGEN-UHFFFAOYSA-N 388.559 4.941 0 40 GJAB CC(C)Oc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 39759206 SHRLULDZDSCNCO-UHFFFAOYSA-N 386.923 4.978 0 40 GJAB Cc1cccc([C@H](NC(=O)c2ccc(Cn3ccnc3)cc2)c2ccccc2)c1 44856111 AEHPOJRZJFZTRI-XMMPIXPASA-N 381.479 4.759 0 40 GJAB Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccon3)n2C2CC2)c1 55175131 JGXGPYZQWWFKRK-UHFFFAOYSA-N 384.505 4.904 0 40 GJAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCOc2ccccc21 69371540 FAEVACJRVNYNSS-GOSISDBHSA-N 382.847 4.923 0 40 GJAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(Cl)o1)OCCO3 70038017 VWWQEMZIRHETDC-ZDUSSCGKSA-N 387.863 4.733 0 40 GJAB COc1cccc(C(=O)N2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)c1 72375138 MSDBZZLWZWOPHB-HXUWFJFHSA-N 388.471 4.515 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 72380256 JOKUDHFPGRDXCQ-INIZCTEOSA-N 383.854 4.889 0 40 GJAB C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1occc1COc1ccccc1 78714502 KNMGVMCJGFFYBN-HNNXBMFYSA-N 392.480 4.829 0 40 GJAB CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@](C)(CO)C2CCCCC2)c1 79015153 PQHOCSVEUKMQFT-QHCPKHFHSA-N 398.551 4.508 0 40 GJAB O=C(Nc1ccccc1C(=O)Nc1ccc(-c2ccccn2)cn1)c1ccccc1 95977850 SBFBJWZEHTZJJH-UHFFFAOYSA-N 394.434 4.648 0 40 GJAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1c(F)c(F)c(F)c(F)c1F 96936334 CLCMNTVAMHWLJQ-XBXARRHUSA-N 391.342 4.680 0 40 GJAB Cc1cc(NC(=O)CSc2nc(C)c(C)n2[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)no1 103512471 LSWRHAPEBIEXFD-LUKYLMHMSA-N 388.537 4.524 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc12 104068782 RROVAUSODFWSPM-OWIUFQIYSA-N 379.529 4.950 0 40 GJAB Cc1nc(SCC(=O)N2CCC[C@H](C)C2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 104691271 SRIHYZCAZXCWDZ-IQOMPXODSA-N 389.609 4.848 0 40 GJAB O=C(CSc1ccncc1)N1CCS[C@H](c2ccccc2Cl)CC1 206999795 LTOLBMQFCKGWMU-KRWDZBQOSA-N 378.950 4.534 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccccc2)c1C 222781715 MNKPEEMPWIOJAH-FGZHOGPDSA-N 390.556 4.541 0 40 GJAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223424739 AAAFZJCOXJFVTD-NZQKXSOJSA-N 394.559 4.650 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1Br 223671018 QAPZVDFWCLFVFA-UHFFFAOYSA-N 376.294 4.555 0 40 GJAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 223786670 AUCFBUJOIXLOLE-RTWAWAEBSA-N 392.528 4.602 0 40 GJAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)NC1CCCC1 224526970 FJOINLQVIDIWDO-KRWDZBQOSA-N 385.335 4.569 0 40 GJAB CCOc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1OCC 225066157 OOGVHUNAULPZFE-UHFFFAOYSA-N 385.504 4.590 0 40 GJAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1SCc1ccccc1 225255286 LSFZKQWWNRXTHL-SFHVURJKSA-N 391.492 4.549 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1Cl 408639257 FJLLSHBPNAWTIW-MRXNPFEDSA-N 378.859 4.793 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(C)c2)cc1 408700028 YPRBRILSUFTYNM-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB Cc1ccccc1C(=O)Nn1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 408971500 GPFNLQZDALZRNY-UHFFFAOYSA-N 382.847 4.518 0 40 GJAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Cl)cc1 409095616 HWSFIZZLDGRJLU-UHFFFAOYSA-N 386.908 4.522 0 40 GJAB O=C(CCc1ccc(-c2ccccc2)[nH]1)N(Cc1ccccc1)Cc1cc[nH]n1 521807726 ZNPLHWHFKZCPBP-UHFFFAOYSA-N 384.483 4.566 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)Nc1ccccc1C(F)(F)F 585148202 ZIHUVGSRCCUJCS-QGZVFWFLSA-N 390.361 4.821 0 40 GJAB CC[C@@H](COC(=O)Nc1ccc(C)cc1)N1C(=O)CS[C@@H]1c1ccc(C)cc1 850769 GUUVHEDKCOVWEZ-PZJWPPBQSA-N 398.528 4.905 0 40 GJAB O=C(Nc1sc2c(c1C(=O)Nc1cccc(O)c1)CCCC2)c1ccccc1 955193 ANKDMSZOAQLCQQ-UHFFFAOYSA-N 392.480 4.837 0 40 GJAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)N1CCCCC1 1332725 UIOWLRZYHVVEDO-UHFFFAOYSA-N 387.574 4.552 0 40 GJAB O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)c1ccccc1 1933555 TYZAEULJULXSSS-UHFFFAOYSA-N 390.508 4.809 0 40 GJAB O=S(=O)(c1cccc2ccccc12)N1CCS[C@H]1c1ccc(Cl)cc1 2202012 XGDGADMJMYQLKI-IBGZPJMESA-N 389.929 4.930 0 40 GJAB CCCC(=O)Nc1c(-c2ccc(C)cc2)c(=O)c(C)nn1-c1ccc(C)cc1 2343124 KPPIXJCAKFDQPI-UHFFFAOYSA-N 375.472 4.563 0 40 GJAB COc1cccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)c1 2739253 XFAWVUFTWCEDGR-UHFFFAOYSA-N 386.426 4.980 0 40 GJAB Cc1nc(Oc2ccc3c4c2CCCN4CCC3)c2c3c(sc2n1)CCC3 4188461 BWKHMUJENUYYOX-UHFFFAOYSA-N 377.513 4.980 0 40 GJAB CC(C)(C)NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 4329357 GBASZLRBCIMYRU-UHFFFAOYSA-N 392.956 4.720 0 40 GJAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2Oc2ccccc2)cc1 4496219 AORYXKKIBVIVPK-UHFFFAOYSA-N 395.480 4.590 0 40 GJAB COc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)cc1 4733607 LIBAHFQQLLYMKS-UHFFFAOYSA-N 387.439 4.833 0 40 GJAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(F)cc1 5359417 HBHDJDWQVPFZBP-LLVKDONJSA-N 388.493 4.600 0 40 GJAB Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccc(-c3ccccc3)cc2)c1C 5959416 HNAUVEQGLFNOPM-UHFFFAOYSA-N 386.495 4.610 0 40 GJAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 6440141 LEGNSJIDAPOLIC-UKRRQHHQSA-N 377.510 4.974 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8105533 MMLZMLQPNXSYKX-ZDUSSCGKSA-N 386.904 4.978 0 40 GJAB C[C@@H](NC(=O)CSc1nc2ccccc2n1-c1ccccc1)c1ccco1 8232915 WICWXIKBDZFYIJ-OAHLLOKOSA-N 377.469 4.588 0 40 GJAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 8278343 HLABSVSQTGCXRB-UHFFFAOYSA-N 397.814 4.516 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)CSc2ccc(F)cc2)cc1OCC 8294606 NSGGRWMUCNIRHS-CQSZACIVSA-N 377.481 4.593 0 40 GJAB O=C([C@@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1)N1CCCCC1 8753272 DWKYYIHOVJBHJD-FQEVSTJZSA-N 393.512 4.506 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(Cl)cc1 9466422 SVVUTJFYDYHDLY-GOSISDBHSA-N 385.920 4.533 0 40 GJAB O=C(NCCCn1ccc2ccccc21)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 10058118 CZAUVVGRLSLPMQ-OALUTQOASA-N 386.417 4.970 0 40 GJAB Cc1cc(C)cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 10336532 ZTLWJHNTHUGFKD-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@@H]1Cc2ccccc2S1 11837255 DZUFMMNFZWFICV-IBGZPJMESA-N 392.505 4.890 0 40 GJAB Cc1ccc(N2C[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1 12416176 YKCCLIHUZFWERQ-AWEZNQCLSA-N 387.361 4.584 0 40 GJAB CC(=O)N[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12653011 UORSHAGGYHADPG-UKSTVPRZSA-N 387.564 4.632 0 40 GJAB biogenic Cc1ccc(NC(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)c(Br)c1 12754998 LXLKHZBZKSLXGQ-LLVKDONJSA-N 388.265 4.646 0 40 GJAB Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1 12801701 OHIBFGZOECZKMU-UHFFFAOYSA-N 377.416 4.573 0 40 GJAB Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 12854882 SAHKJINZGZHYAH-UHFFFAOYSA-N 394.858 4.809 0 40 GJAB Cc1nc(C2(NC(=O)c3ccc(-c4ccccc4Cl)o3)CCCCC2)no1 12948244 VOKIMLOVHXAYTC-UHFFFAOYSA-N 385.851 4.881 0 40 GJAB Cc1ccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c(O)c1 12995336 OZXLMVRPYILXEX-UHFFFAOYSA-N 388.876 4.950 0 40 GJAB COCCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccncc1 13018575 OPOJDUIYGDYQTM-UHFFFAOYSA-N 395.315 4.586 0 40 GJAB COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccccc1Cl 13770972 OEIJFUAVVLJDAF-QTGUNEKASA-N 399.918 4.857 0 40 GJAB C[C@@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1ccccc1Br 14425719 NYLFZJVTNDGNQA-XTZCOPOCSA-N 381.273 4.888 0 40 GJAB CC(C)C(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 14831675 KGTZKAAEYPFHSN-UHFFFAOYSA-N 381.259 4.605 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)NCc1csc(-c2ccc(C)cc2)n1 15832583 OLZDCTSYYNUROI-SFHVURJKSA-N 384.476 4.731 0 40 GJAB CCc1ccc(NC(=S)NCCCn2nc(C(F)(F)F)cc2C2CC2)cc1 17081044 IRCCLJCAOKCAAE-UHFFFAOYSA-N 396.482 4.718 0 40 GJAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cccc(F)c3)cc2n1 19116903 BCEWEITXORPYAQ-INIZCTEOSA-N 378.373 4.533 0 40 GJAB Fc1cccc(-c2cnc(-c3ccncc3)c(CNCCc3ccncc3)c2)c1 19294337 MMEMQVPHGYATBC-UHFFFAOYSA-N 384.458 4.677 0 40 GJAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1Cl)c1ccccc1F 19349769 FXSHRGBSPUSXPU-IBGZPJMESA-N 383.854 4.531 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 19932623 BERGLAKRXKNSMJ-GOSISDBHSA-N 391.895 4.610 0 40 GJAB COC(=O)[C@@H](OC(=O)c1ccccc1SCc1ccco1)c1ccccc1 21839700 LLCHYEFWMOVPDD-IBGZPJMESA-N 382.437 4.643 0 40 GJAB CCc1ccccc1NC(=O)c1cn(CC)c2ccc(C(F)(F)F)cc2c1=O 22236736 SPLRMVMXLJUASS-UHFFFAOYSA-N 388.389 4.855 0 40 GJAB CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccc2F)n(C)c1=S 24149037 IJOCEEVBXCHZNG-UHFFFAOYSA-N 396.944 4.952 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1cc(C)nc(C)n1)c1ccccc1 24569090 CXRFFZNHFKPFJG-NRFANRHFSA-N 393.512 4.883 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)sc(C)c1C 28405050 ZPNYQEBGYXYKLB-UHFFFAOYSA-N 399.468 4.517 0 40 GJAB O=C(c1ccc2c(c1)OCCCO2)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 30301103 RCOJDGSXXLDARY-UHFFFAOYSA-N 391.389 4.672 0 40 GJAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@H](c1cccs1)C1CCCC1 32396482 CNTZLZCVYABUDW-QFIPXVFZSA-N 399.512 4.530 0 40 GJAB COc1cc([C@@H]2CN(Cc3ccc(F)cc3)[C@H]3CCC[C@@H]32)cc(OC)c1OC 36719477 XPFKCAOXTKOTDL-AABGKKOBSA-N 385.479 4.620 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)no2)cc1OC 46086950 CVKYYOANNQIPRR-UHFFFAOYSA-N 393.226 4.918 0 40 GJAB CCCn1cc(-c2nc(-c3ccccc3Cl)no2)c(=O)c2cc(F)ccc21 49001952 MXGPREIWFFXVQU-UHFFFAOYSA-N 383.810 4.921 0 40 GJAB CCSc1ccccc1C(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 49363051 KSSSNQKBLWSRTE-UHFFFAOYSA-N 399.541 4.930 0 40 GJAB CCN(Cc1ccccc1)[C@@H](c1cccs1)c1nnnn1C1CCCCC1 57613823 QLPCICJMQRAXDA-FQEVSTJZSA-N 381.549 4.851 0 40 GJAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 59109437 LHEMEBUBWUVZRS-UHFFFAOYSA-N 394.780 4.987 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H](O)c1cccc2ccccc12 70636061 SSFSDSLCYJOKFZ-VWLOTQADSA-N 381.475 4.899 0 40 GJAB CCCCN(C(=O)c1ccoc1C)c1cccc(I)c1 72273369 DLJXEAIGLLCGQO-UHFFFAOYSA-N 383.229 4.640 0 40 GJAB COC(=O)c1cc(Br)c(-c2ccc(Cl)cc2Br)o1 73638382 QGRJXNGXYPGDEM-UHFFFAOYSA-N 394.446 4.912 0 40 GJAB O=C(Nc1ccc(C(=O)Nc2ccc3[nH]c(=S)oc3c2)cc1)c1ccccc1 79111960 LXXBICBRNYLTAS-UHFFFAOYSA-N 389.436 4.995 0 40 GJAB CO[C@H](CNC(=O)CC(c1ccccc1)c1ccccc1)c1cccc(F)c1 96388256 CMKWVCMKJTZOGX-HSZRJFAPSA-N 377.459 4.852 0 40 GJAB CSc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3cccc4nccnc34)C2)cc1 97105907 QMMGOFZZBJNHDU-FQEVSTJZSA-N 390.512 4.685 0 40 GJAB COc1ccc([C@@H]2CC3=Nc4nc(C)nn4[C@H](c4ccccc4)C3=C(O)C2)cc1 102715051 UODIEKVFTSZTSA-VGOFRKELSA-N 386.455 4.660 0 40 GJAB CCOC(=O)c1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1 216831706 HXYGEQBIKAHLHG-UHFFFAOYSA-N 393.277 4.912 0 40 GJAB CCc1ccc(CC)c(CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 223492433 HBJRMPQAUMMZDI-CQSZACIVSA-N 390.321 4.658 0 40 GJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)c1 224231859 FKEUXUNEMMFIDJ-LEWJYISDSA-N 376.529 4.522 0 40 GJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225840463 QBHOKVBGWLMVKY-OPAMFIHVSA-N 393.524 4.820 0 40 GJAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCCCc2ccc(F)cc2)n1 225969442 GOBYCAHEVLYNNO-UHFFFAOYSA-N 396.491 4.636 0 40 GJAB CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(Cc4cccnc4)CC3)C[C@@H]21 257339971 ZDYPMMMIRKRPHU-RBBKRZOGSA-N 378.516 4.613 0 40 GJAB COc1c(F)c(F)c(C(=O)Nc2ccc(Br)cc2C)c(F)c1F 408619232 ALIUBUYYSSRBOA-UHFFFAOYSA-N 392.146 4.575 0 40 GJAB CCCCOc1ccc(C(=O)/N=c2\sc3c(n2C)-c2ccccc2CC3)cc1 409207312 RWUIOFJVADKRTH-VHXPQNKSSA-N 392.524 4.772 0 40 GJAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c2ccccc12 409243616 ZCZMXYNBBOAULW-KGENOOAVSA-N 386.451 4.640 0 40 GJAB CC(C)(C)CC(=O)Nc1ccc(CC(=O)N2Cc3cccc(Cl)c3C2)cc1 585082836 SGLDWCZAGNQQPO-UHFFFAOYSA-N 384.907 4.800 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)CCOc3ccccc3)CC[C@@H]2N1c1ccc(F)cc1 1615161626 ZUZCBDDHNWNYFN-GCJKJVERSA-N 396.506 4.501 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2sc3ccccc3n12 959170 BXXLNACLADGRAD-UHFFFAOYSA-N 378.482 4.709 0 40 GJAB CC(=O)Oc1cc2c(cc1Br)[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2 1425517 IGZVPNAJLMAGND-IDLUEMFASA-N 391.305 4.800 0 40 GJAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(C(=O)c2ccccc2)cc1 1516628 MUWRRSUCZSLPCF-UHFFFAOYSA-N 385.448 4.688 0 40 GJAB COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)c(OCc2ccccc2)c1 1558289 CBEAZKUTRQYCPU-STZFKDTASA-N 385.419 4.619 0 40 GJAB CCOc1ccc(/C=C/C(=O)Oc2ccc(Br)cc2)cc1OCC 1780490 VWLXIZGOGIHGQV-WUXMJOGZSA-N 391.261 4.865 0 40 GJAB COC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 1918404 CQQIYDJYILKMPR-NSHDSACASA-N 377.531 5.000 0 40 GJAB C/C(=C/CC/C(C)=C/COc1ccc2ccc(=O)oc2c1)CCC(=O)C(C)(C)O 2147404 AEFSLEXCTRWIIO-KKXOSETESA-N 398.499 4.965 0 40 GJAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)cc1 2333820 JTDZXPJRLNUISW-NRFANRHFSA-N 382.419 4.555 0 40 GJAB CC[C@@H](SC1=NCCS1)C(=O)Nc1nc(-c2ccccc2)c(C)s1 2745816 FWFVQYBFBPFQAD-CYBMUJFWSA-N 377.560 4.672 0 40 GJAB COC(=O)c1ccc(COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 3431360 AWZBOPBMHVGTOE-UHFFFAOYSA-N 380.827 4.937 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N(C)c2ccccc2)c2c3c(sc2n1)CCC3 3521846 OHNBWYWFZLKARV-GFCCVEGCSA-N 383.542 4.632 0 40 GJAB CC[C@H](CO)Nc1nc(SC(C)C)nc2sc3c(c12)C[C@@](C)(CC)OC3 5478290 JILNONVUMCULFI-CWTRNNRKSA-N 395.594 4.616 0 40 GJAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(OCc2ccccc2)cc1 5934882 FJHBZHZZDPOHKQ-KRWDZBQOSA-N 376.456 4.713 0 40 GJAB Cc1ccccc1-n1c(S[C@H]2CCCCC2=O)nc2cc(Cl)ccc2c1=O 6093788 ALXAKVYYCHSYSZ-IBGZPJMESA-N 398.915 4.951 0 40 GJAB CCc1sc(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1C 6432876 LXGNTGIQGCOOQU-UHFFFAOYSA-N 388.514 4.523 0 40 GJAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)[C@@H]1C 6586401 ZZFHFFUXAZDPBV-CBGDNZLLSA-N 381.472 4.577 0 40 GJAB CCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)c1 6752948 QUHMZMZZGKDJNZ-JOCHJYFZSA-N 391.471 4.526 0 40 GJAB Cc1ccc(-n2nc(C)c(NC(=O)CN3CCC[C@@H]3c3cccs3)c2C)cc1 7362728 XSZXRXLCCPBSGC-LJQANCHMSA-N 394.544 4.635 0 40 GJAB COc1ccc(Cl)cc1C1=N/C(=C/c2ccccc2C(F)(F)F)C(=O)O1 8209143 LCLIZRAVDADVRR-RIYZIHGNSA-N 381.737 4.712 0 40 GJAB C[C@H](Nc1nc(-c2cc3c4c(c2)CC(=O)N4CCC3)cs1)c1ccccc1 8296505 JKPMWUNOFBFAGV-AWEZNQCLSA-N 375.497 4.819 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)o3)cc2)cc1 9062075 LYPATMLAJOXBJB-UHFFFAOYSA-N 398.422 4.550 0 40 GJAB O=C(N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1 9607395 LYLROKZEQMXEAE-LJQANCHMSA-N 389.842 4.909 0 40 GJAB CCc1ccc(C(=O)CCC(=O)NCc2ccc3cc(OC)ccc3c2)cc1 11122582 KJPKZAOFPIZVKG-UHFFFAOYSA-N 375.468 4.690 0 40 GJAB Cc1cc(NC(=O)c2ccccc2C)n(-c2nc(-c3cccs3)cs2)n1 11693793 TZFDNERIUAMAGK-UHFFFAOYSA-N 380.498 4.926 0 40 GJAB COc1cccc(CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c1 11767267 HUYVRTHVYMCIFF-UHFFFAOYSA-N 398.528 4.513 0 40 GJAB O=S(=O)(Nc1cccc2cccnc12)c1ccc(Cl)cc1C(F)(F)F 12526103 GWDHGJFFUKCFMT-UHFFFAOYSA-N 386.782 4.708 0 40 GJAB Cc1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)nc1 13207169 WNIOFERYZYWZNG-KGENOOAVSA-N 383.451 4.647 0 40 GJAB COc1ccccc1Cn1ccnc1SCC(=O)Nc1c(C)cc(C)cc1C 15825594 PHBBYDMLLZHUGK-UHFFFAOYSA-N 395.528 4.596 0 40 GJAB CC(C)OC(=O)c1cccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c1 15838580 DUTQCHJBQMRLSX-UHFFFAOYSA-N 383.831 4.833 0 40 GJAB CCC(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 19498675 OZPJJVQELIYPED-QHCPKHFHSA-N 398.572 4.501 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1ccccc1C)N(c1ccc(C)cc1)C(=O)C2 19880495 WNTASCPSLOCHCZ-VWLOTQADSA-N 387.479 4.999 0 40 GJAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[C@H]1Cc2ccccc2S1 23074325 MEQFOPNMVSFVOR-OAHLLOKOSA-N 387.810 4.937 0 40 GJAB CCC1=C(O)[C@H](CN2CCC(C)CC2)[C@H]2OC(=O)C=C(c3ccccc3)C2=C1 28120524 QSKDUZHVPFHIOF-URXFXBBRSA-N 379.500 4.506 0 40 GJAB O=C(O)[C@@H]1CS[C@H](c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)N1 33479310 FRSPVSUUNAPNSE-FXAWDEMLSA-N 399.899 4.860 0 40 GJAB O=C(Nc1ccccc1F)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849235 RXIGXSRMSWJDMF-ZDUSSCGKSA-N 381.278 4.983 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1 40103920 RFWXHNPLSKWEKS-UHFFFAOYSA-N 394.418 4.749 0 40 GJAB C[C@@H]1CCCC[C@H]1n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392407 CRWVUTIIXCUSJJ-CXAGYDPISA-N 393.878 4.511 0 40 GJAB Brc1cccc2c(-c3nc4cc(-n5cnnc5)ccc4o3)cccc12 45920417 GVPLLMNHWNWWHN-UHFFFAOYSA-N 391.228 4.991 0 40 GJAB Cc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(F)c4)c3N)n2)c(C)c1 49001867 FVWNEEAQLYQLGK-UHFFFAOYSA-N 379.464 4.704 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCCCC4)CN(Cc1ccc(F)cc1)CO2 55393810 YAVPJWIZUWXMTN-UHFFFAOYSA-N 393.458 4.862 0 40 GJAB CCN1CCC(n2nccc2NC(=O)c2sc3ccccc3c2Cl)CC1 69898583 PNGKPQUOHVNOPO-UHFFFAOYSA-N 388.924 4.660 0 40 GJAB CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 71936550 ZOHXBIBQXNGPCO-UHFFFAOYSA-N 388.295 4.514 0 40 GJAB COc1ccc(CN2CCC[C@H](c3nccnc3-c3ccccc3F)C2)cc1 72358394 ZFEMHVWTPHHAEI-SFHVURJKSA-N 377.463 4.671 0 40 GJAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1 84686988 KASVQNJSKACMET-MLGOLLRUSA-N 386.904 4.687 0 40 GJAB O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Br)cc1 95251924 CEDCQJIFBBYFNV-BMGDILEWSA-N 384.273 4.522 0 40 GJAB Cc1ccc(NC(=O)N2CCN(Cc3ccc(Cl)c4cccnc34)CC2)cc1 95405703 DVRWQGZDKCZIOU-UHFFFAOYSA-N 394.906 4.546 0 40 GJAB CC[C@@H](C)Sc1ccc(NC(=O)N[C@H]2CCCC3(C2)OCCO3)c(C)c1 96006821 ZDABIBOVMRZBKN-CVEARBPZSA-N 378.538 4.693 0 40 GJAB COc1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1Cl 96193811 AYXGFXDMLYCYLM-UHFFFAOYSA-N 382.832 4.928 0 40 GJAB CCSc1nc2n(n1)[C@@H](c1cccc(OC)c1)C1=C(O)CC(C)(C)CC1=N2 102668808 DTNRCNWWNZBOQN-KRWDZBQOSA-N 384.505 4.706 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)c1C 103718246 XMDLABFTPYWVPF-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB CC(C)Oc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 219679227 NNABUXKAMXBOQU-ZDUSSCGKSA-N 378.266 4.642 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCC 223943517 TYJSBLHCZHPKFG-KRWDZBQOSA-N 387.351 4.817 0 40 GJAB COc1ccc(OC[C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225366191 ZEUGNMQBKYISMN-ZDUSSCGKSA-N 382.287 4.518 0 40 GJAB CCc1ccc([C@H](C)NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225514002 UTCKSGMYZCNNIY-INIZCTEOSA-N 375.534 4.729 0 40 GJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225689273 VGHLYEWTJXCLLL-HSZRJFAPSA-N 390.568 4.721 0 40 GJAB CC1(C)C[C@@H](NC(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1 225813451 QSMHPGAXPOIIQR-MRXNPFEDSA-N 379.378 4.503 0 40 GJAB CCCCOc1ccc(C(=O)Nc2c(C)cc(N)cc2Br)cc1 226763385 BRMQZIZDLPYQKZ-UHFFFAOYSA-N 377.282 4.771 0 40 GJAB Cc1ccc(SCc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)cc1 408576475 VVEJKFDXIICDBL-UHFFFAOYSA-N 388.492 4.886 0 40 GJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccccc3C)sc2n1 408620280 LNYGVSWZHWCZJA-UHFFFAOYSA-N 384.530 4.574 0 40 GJAB Cc1cc2nc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3)oc2cc1C 408627734 NHVKVMKZHKXMAH-UHFFFAOYSA-N 381.501 4.971 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CN3[C@H]4CC[C@H]3c3ccccc34)c2)cs1 564006950 TZRSWTOIRDSOHY-SFTDATJTSA-N 375.497 4.949 0 40 GJAB COc1ccc(Oc2ccc(C(=O)N3CCC[C@H]3c3ccc(O)cc3)nc2)cc1 1545502909 FUJBSUZGBXAWNG-QFIPXVFZSA-N 390.439 4.565 0 40 GJAB Cc1c[nH]c(CNC(=O)c2ccc(Nc3ccccc3C(C)C)cc2)c(C)c1=O 1652831793 WBFCHWPLNGJJNI-UHFFFAOYSA-N 389.499 4.789 0 40 GJAB O=C(/C=C/c1ccco1)NC(=S)Nc1c(Cl)cc(Cl)cc1Cl 711402 ZAABPWLJOGVIQA-ONEGZZNKSA-N 375.664 4.766 0 40 GJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C)c(Cl)c1 812081 NZOMVMTYYNATPF-UHFFFAOYSA-N 384.819 4.755 0 40 GJAB COc1ccc(Oc2c(Cl)cnn(-c3ccc(Cl)c(Cl)c3)c2=O)cc1 1392485 DRLIOPMDPVKRMD-UHFFFAOYSA-N 397.645 4.994 0 40 GJAB Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)cc1 2329129 ZEMLWXZHYCUUGY-INIZCTEOSA-N 391.858 4.603 0 40 GJAB CCCCCCC(=O)N[C@H](Nc1ccccc1OC)C(Cl)(Cl)Cl 3147767 AJKGTCFEWCACPG-HNNXBMFYSA-N 381.731 4.890 0 40 GJAB COc1cccc(NC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)c1 5147131 GKIBDOLKBAYFOX-UHFFFAOYSA-N 377.469 4.561 0 40 GJAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)s1 5359902 KYHTZBIQCFBYIY-UHFFFAOYSA-N 375.544 4.995 0 40 GJAB C=C1C[C@@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 5383416 YCDZXIYKJHQMIG-HUOTUTCUSA-N 384.516 4.575 0 40 GJAB Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2cccc(C)c2)cc1 5478613 AIBNCEFQTHOFTI-UHFFFAOYSA-N 381.501 4.595 0 40 GJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1 5555570 MRGFYRHPNAGXCN-UHFFFAOYSA-N 376.250 4.697 0 40 GJAB O=C(COc1ccccc1Cl)Nc1ccc(C(=O)OC2CCCCC2)cc1 5584206 OUCDJQOWWQDUMQ-UHFFFAOYSA-N 387.863 4.847 0 40 GJAB COc1ccc(-n2c(S)nnc2-c2cc(Cl)ccc2OC)cc1Cl 6181973 AUKZFMADMQAFPK-UHFFFAOYSA-N 382.272 4.547 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C 6479177 QISYDOZZAMUMCK-UHFFFAOYSA-N 392.484 4.576 0 40 GJAB CC[C@H]1CCc2c(sc3nc(Cc4nc5ccccc5s4)[nH]c(=O)c23)C1 6551194 AYANBPMWZXRIAW-NSHDSACASA-N 381.526 4.700 0 40 GJAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)c(Cl)c2)n1 8477034 YLTZJHJWHTUART-UHFFFAOYSA-N 389.286 4.689 0 40 GJAB Cc1ccc(C(C)C)c(OCc2nn(CC(=O)Nc3ccccc3)c(=S)o2)c1 8549795 LTTNJCFTENPPSS-UHFFFAOYSA-N 397.500 4.855 0 40 GJAB O=C(COc1cccc(Cl)c1)N1CCC(c2nc3ccccc3s2)CC1 8586668 AKJSFKVQIZATBX-UHFFFAOYSA-N 386.904 4.735 0 40 GJAB CNc1nnc(SCc2csc(COc3ccc(Cl)cc3)n2)s1 8706035 HNOOAOBZRBSVBK-UHFFFAOYSA-N 384.939 4.561 0 40 GJAB CCOc1cc(C=O)ccc1OCCCSc1nnc(-c2ccccc2)o1 8731646 IQSXRZDVCNVYKQ-UHFFFAOYSA-N 384.457 4.509 0 40 GJAB Fc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccncc2)cc1 11023656 SVINFUDDVKVORE-UHFFFAOYSA-N 392.459 4.640 0 40 GJAB Cc1sc2nc([C@H](C)Nc3ccc(OCC(F)(F)F)cc3)[nH]c(=O)c2c1C 11713156 CILLMMOHRCYFGB-JTQLQIEISA-N 397.422 4.716 0 40 GJAB COc1ccc(CNc2ncc(-c3cc(C)no3)c(-c3ccc(C)o3)n2)cc1 12185972 MSKVRKSHVGIYMW-UHFFFAOYSA-N 376.416 4.629 0 40 GJAB Cc1cccc(N2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC2)c1C 12514768 PSXZTGYJRIFRBF-UHFFFAOYSA-N 378.447 4.665 0 40 GJAB Cc1ccc(C(C)C)cc1OCC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 12550139 KQYMFTNNRUMXTE-GOSISDBHSA-N 377.488 4.560 0 40 GJAB CC(C)(C)[n+]1cn(-c2ccc(Br)cc2)c(-c2ccccc2Cl)n1 12551150 GIXSYQLTJUPSES-UHFFFAOYSA-N 391.720 4.998 0 40 GJAB C[C@@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc12)c1cccc(Cl)c1 12784407 KIEWVGOSZZTDLW-OAHLLOKOSA-N 395.890 4.834 0 40 GJAB Cc1[nH]c2ccc(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)cc2c1C 12908457 LCLUIPQNKKHRNM-UHFFFAOYSA-N 384.863 4.529 0 40 GJAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccc(F)cc1 13777763 OYPVOPCWDLCKSV-KIFXHHALSA-N 397.490 4.733 0 40 GJAB O=C(CN[C@H](Cc1ccccc1)c1ccccc1)N[C@H]1CCCc2ccccc21 14633070 UXBZGSQKZIHODG-LOSJGSFVSA-N 384.523 4.754 0 40 GJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1Cc1ccccc1 17973378 VOSZMAUZXPQAIX-UHFFFAOYSA-N 386.495 4.605 0 40 GJAB CCN(C(C)=O)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C3CCCC3)CC2)C1 19712781 JSTUPLXBAHSVCY-GOTSBHOMSA-N 384.564 4.552 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 20242064 SDNWNLIXPOKKAI-NRFANRHFSA-N 398.550 4.996 0 40 GJAB CC[C@H](C)NC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 20573238 ZVUSUSZCVNILHG-GUYCJALGSA-N 384.867 4.577 0 40 GJAB CC(C)COc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 20609899 GNQKHZUHAXRWQM-UHFFFAOYSA-N 386.455 4.708 0 40 GJAB CCCc1nc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2s1 22255064 CTTTUNGHGOKBIZ-UHFFFAOYSA-N 396.921 4.712 0 40 GJAB Cc1sc2nc([C@@H](C)Nc3ccc(Br)cc3)[nH]c(=O)c2c1C 25060317 ZGAYTOVITYSPGL-SECBINFHSA-N 378.295 4.537 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)C[C@@H]3Oc4ccccc4NC3=O)ccc21 28344875 QCBOOTFARYUKGX-QFIPXVFZSA-N 399.450 4.543 0 40 GJAB O=C(CSc1ccccc1)Nc1nnc(-c2cc(Cl)sc2Cl)o1 36630040 GOHBHEGCELTKFX-UHFFFAOYSA-N 386.285 4.836 0 40 GJAB Cc1nn(C(C)C)c(C)c1CN(CCCn1ccnc1)Cc1cccc(F)c1 43277731 SQXWPVHHXXOTAP-UHFFFAOYSA-N 383.515 4.509 0 40 GJAB Cc1ccc2c(ccn2CCC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1 44901221 YHTGDXAAMZQURV-UHFFFAOYSA-N 379.891 4.833 0 40 GJAB C[C@H](Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12)C(C)(C)O 58162247 AYICTJHQZIQKPO-AWEZNQCLSA-N 390.512 4.992 0 40 GJAB Cc1cc(NC(=O)/C=C/c2ccccc2)cc(C)c1I 59294247 MKPBTNPCDUEMQT-CMDGGOBGSA-N 377.225 4.560 0 40 GJAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 67259327 VQAMELRRQSFHJV-GOSISDBHSA-N 378.497 4.511 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ncccc2C)C12CCCC2 71280926 NDEAFKKYHPLLBY-YLJYHZDGSA-N 391.515 4.679 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc2ccccc2c(Cl)n1 84017036 BXGWYNUAIUKQFC-UHFFFAOYSA-N 376.847 4.943 0 40 GJAB OC1(c2cccnc2)[C@@H]2CCC[C@@H]1CN(Cc1cccc(Cl)c1Cl)C2 100148482 YVEZDQHLESTJLM-IAGOWNOFSA-N 377.315 4.508 0 40 GJAB COC(=O)/C(=C\Nc1cc(F)ccc1F)c1ncc(C(F)(F)F)cc1Cl 100273610 ASJHWNZBPNIBSH-YFHOEESVSA-N 392.711 4.658 0 40 GJAB CCc1cccc(C)c1-n1nnnc1C(C)(C)Nc1cccc(C(F)(F)F)c1 101464654 WCJXIMKMYHQMEJ-UHFFFAOYSA-N 389.425 4.899 0 40 GJAB CC(=O)[C@@]12C(=O)Oc3ccc4ccccc4c3[C@@H]1[C@]2(C)C(=O)c1ccc(C)cc1 101796419 COLOXOVVOKQLDC-SDUSCBPUSA-N 384.431 4.629 0 40 GJAB C[C@H](C(=O)Nc1ccc(Cl)cc1)[S@](=O)Cc1ccc(C(F)(F)F)cc1 108467138 ICBDWIUAARFIPJ-NDHGSNPTSA-N 389.826 4.635 0 40 GJAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C 225182398 QSFHROUACZPIGZ-UHFFFAOYSA-N 386.495 4.805 0 40 GJAB COc1ccc(NC(=S)NCCSCc2ccccc2F)cc1Cl 225412346 JWYTUZXULJXGFG-UHFFFAOYSA-N 384.929 4.708 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)N[C@@H](C)CC 225694655 JBTHBPKAGOEDIM-GUYCJALGSA-N 387.351 4.815 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1c(C)cc(N)cc1Br 227144931 BWWZHLOCOWSBEP-UHFFFAOYSA-N 385.261 4.754 0 40 GJAB O=C(c1cncs1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257273222 NFSVHDOMYSXGQD-INIZCTEOSA-N 387.892 4.743 0 40 GJAB COc1c(Cl)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409100373 MXKUZOWPDMWVKK-VGOFMYFVSA-N 397.645 4.753 0 40 GJAB Cc1ccc(OCc2nc3ccccc3n2Cc2nnc(C(C)C)s2)cc1 418789541 JBGDIHBNWMTYFO-UHFFFAOYSA-N 378.501 4.947 0 40 GJAB CC(=O)N1CCCCCCCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)Cc2ccccc21 643553331 LZXIZPHHDAUBPH-SGRGSNTQSA-N 382.548 4.768 0 40 GJAB Cc1cccc(NC(=O)c2ccc(COc3ccccc3Br)cc2)n1 710696 CZTGVVKOQNWTHT-UHFFFAOYSA-N 397.272 4.984 0 40 GJAB NC(=O)[C@@H](c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl 1385492 NADSXBRKQWFWLV-LLVKDONJSA-N 383.584 4.678 0 40 GJAB Cc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)cc1 2893360 PEIJRCBMBCUJJE-RCCKNPSSSA-N 383.403 4.559 0 40 GJAB Cc1cc2ccccn2c1C(=O)c1nc(NCc2ccccc2)ncc1Cl 3210499 IGHCRHBIMJIHLY-UHFFFAOYSA-N 376.847 4.534 0 40 GJAB CC(=O)O[C@@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 4074093 GVIBMJZVMHMBKI-FSSNKTKLSA-N 384.516 4.733 0 40 GJAB biogenic CC(C)(C)c1ccc(C(=O)N2N=C3CCCCC[C@@H]3[C@@]2(O)C(F)(F)F)cc1 4673052 OHLBUEFLBNSUHL-HNAYVOBHSA-N 382.426 4.627 0 40 GJAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)sc2c1 4682095 UFTJAFHXSAVLCM-UHFFFAOYSA-N 399.541 4.992 0 40 GJAB CCC(CC)C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1Cl 5000949 SGDZVASXEJMHFS-UHFFFAOYSA-N 386.879 4.640 0 40 GJAB CCSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 5241554 ATDWCWDQPPBRMQ-UHFFFAOYSA-N 398.509 4.946 0 40 GJAB COc1cc2c(cc1OC)[C@H](C)N(C(=S)Nc1cccc(Cl)c1C)CC2 5421505 SMPJMVILDRQEJN-ZDUSSCGKSA-N 390.936 4.982 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 5549539 OMFYMEICRHLUMW-UHFFFAOYSA-N 387.892 4.578 0 40 GJAB CCCC(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 5946060 JHKMVWQBUXDTJR-UHFFFAOYSA-N 385.514 4.590 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc4c(Cl)cccc34)oc2c1 6305091 KCWSVRWMEJECPY-UHFFFAOYSA-N 379.803 4.845 0 40 GJAB CCOc1ccc(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)cc1 6767603 OLLMXIHQAGMXFN-UHFFFAOYSA-N 399.450 4.906 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 7159071 MLIVWBIXKBKXMJ-XUXNDYAISA-N 391.559 4.883 0 40 GJAB CCCCC[C@H](C)NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 7535424 WZMNOOMNDLYLBF-LBPRGKRZSA-N 382.530 4.598 0 40 GJAB CCN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccc(OC)c(F)c1 8214221 GITBFJAFMYWVHT-UHFFFAOYSA-N 392.474 4.962 0 40 GJAB CCc1ccc(-c2n[nH]c(SCC(=O)c3c(C)[nH]c4ccccc34)n2)cc1 8484015 CJVOINIZHKWQIC-UHFFFAOYSA-N 376.485 4.799 0 40 GJAB O=C(CSc1nnc(-c2cccs2)o1)Nc1cccc(C(F)(F)F)c1 8830955 GIPVJYPPWDSTKH-UHFFFAOYSA-N 385.392 4.548 0 40 GJAB CC(=O)N(c1cccc2ccccc12)[C@@H]1SC(=O)N(c2cccc(C)c2)C1=O 12136825 XQWJPUUIKWGKCB-OAQYLSRUSA-N 390.464 4.727 0 40 GJAB COc1cc(OC)cc(-c2nnc3c4ccccc4c(-c4ccccc4)nn23)c1 12409154 NUHWEEOLLCQBDN-UHFFFAOYSA-N 382.423 4.629 0 40 GJAB O=C(Cc1csc(-c2ccco2)n1)N[C@H](c1ccccc1)c1cccs1 12773685 UEYXIEPDZLONMZ-LJQANCHMSA-N 380.494 4.913 0 40 GJAB O=C(Nc1ccccc1SCC(F)(F)F)c1cncc(Br)c1 12792669 CRVLZSBEJFVGQY-UHFFFAOYSA-N 391.212 4.751 0 40 GJAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc(C)c1Cl 13684261 PAELWIBDGAYHJH-UHFFFAOYSA-N 388.895 4.503 0 40 GJAB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NC1CCCC1 14178431 BPQILOODMYRJSS-SDNWHVSQSA-N 385.261 4.675 0 40 GJAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)Cc2ccccc2)cc1 14608026 KBXBSGSIBRSASJ-XMMPIXPASA-N 397.478 4.974 0 40 GJAB COc1ccc(CCn2c(S)nnc2-c2oc3ccccc3c2C)cc1OC 17080867 FUANLFRGOGBFGT-UHFFFAOYSA-N 395.484 4.548 0 40 GJAB Cc1c(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)oc2ccccc12 19566133 PMZSVBRSDWZWNY-CQSZACIVSA-N 393.468 4.873 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)c(Cl)c1 20454043 XOZQROKUEPVXBQ-ZDUSSCGKSA-N 377.893 4.777 0 40 GJAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(OC)cc1 20493966 MPXNIGBHWUTRFP-KRWDZBQOSA-N 388.316 4.573 0 40 GJAB Cc1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)c2ccccn2)o1 20722407 KDROFMORJZIDCU-UHFFFAOYSA-N 392.480 4.648 0 40 GJAB CCn1cc(C(=O)Nc2ccc(F)cc2F)c(=O)c2cc(C(F)(F)F)ccc21 22236796 DEOIDCJOVGDUBY-UHFFFAOYSA-N 396.315 4.571 0 40 GJAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 25379564 IKJQCLLYSPWOGO-XLSPSMHOSA-N 390.955 4.570 0 40 GJAB COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1C 27744072 UQPKGBFDMPMKHD-OAHLLOKOSA-N 395.459 4.583 0 40 GJAB O=C(NC1CC1)[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 28368064 KYGRTRJHRXYDMH-NRFANRHFSA-N 378.472 4.550 0 40 GJAB COCCN(Cc1cccs1)C(=O)COc1ccc2oc3ccccc3c2c1 29236703 LORACZLAGBTILZ-UHFFFAOYSA-N 395.480 4.702 0 40 GJAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967560 GGXNOYPLRJIIIJ-SFHVURJKSA-N 389.377 4.687 0 40 GJAB Fc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1 33267986 CCFBNODGJRCUPR-UHFFFAOYSA-N 382.395 4.764 0 40 GJAB CCN(Cc1ccccc1)C(=O)Cc1csc(COc2ccc(C)cc2)n1 33326350 HCUDZICWZQKFMV-UHFFFAOYSA-N 380.513 4.622 0 40 GJAB CCn1nc(C)c2c(C(=O)N3CCCCCC3)cc(-c3ccc(C)cc3)nc21 36616906 BVPQYBCFKHNDQG-UHFFFAOYSA-N 376.504 4.751 0 40 GJAB O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1I 37377553 DSKVFVHLPQLOPP-UHFFFAOYSA-N 377.008 4.829 0 40 GJAB CC(C)C(=O)Nc1ccc(CNc2nn3cc(-c4ccccc4)nc3s2)cc1 40059622 PLMKEESSSRZKIM-UHFFFAOYSA-N 391.500 4.664 0 40 GJAB COCc1cccc(CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 40114005 OFAUPZFVBDQZHZ-UHFFFAOYSA-N 388.826 4.519 0 40 GJAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)c(Br)c1 40942863 XIHRTYZBRPPXRX-AWEZNQCLSA-N 376.294 4.829 0 40 GJAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 44848724 RVRZLOXYJNVLSX-LLVKDONJSA-N 385.407 4.842 0 40 GJAB O=C(NC1CCCCC1)c1cc(Cl)c(I)c(Cl)c1 59842949 RQDWRQOXFNEJCF-UHFFFAOYSA-N 398.071 4.661 0 40 GJAB CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OCc3ccccc3)c1)CC(O)=N2 61719821 FHNSWIJDJNFUJA-OAHLLOKOSA-N 395.484 4.896 0 40 GJAB Cc1nc(C)c2c(C)c(C(=O)N3C[C@@H](c4ccccc4)OCC3(C)C)sc2n1 66760085 WDBLCFHYXFJTCY-KRWDZBQOSA-N 395.528 4.609 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72349597 VHQXIKFTEPCVQS-UHFFFAOYSA-N 388.486 4.760 0 40 GJAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC[C@@H]1Cc1cccc(F)c1 84514399 CLKNTLAUWYTQBZ-MRXNPFEDSA-N 383.854 4.717 0 40 GJAB FC(F)c1nc(N2CCC[C@H](n3nccc3C(F)(F)F)C2)c2ccccc2n1 95466011 MDRXEFDKWAAKMS-NSHDSACASA-N 397.351 4.624 0 40 GJAB Cc1nnc(SCc2ccccc2)nc1/C=C/NOCc1ccc(Cl)cc1 100104826 NMIORYXAZBTMCR-VAWYXSNFSA-N 398.919 4.818 0 40 GJAB CCN(C(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)c1ccccc1 101354223 OKFCMSJKRQZXAY-UHFFFAOYSA-N 397.478 4.597 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)cc1 222900398 FOBRACRMMLYPJA-UXHICEINSA-N 385.504 4.691 0 40 GJAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1C 223446327 UQPGUMFPDREULV-OAHLLOKOSA-N 396.350 4.555 0 40 GJAB Cc1cc(OCC(=O)NCCOc2ccccc2C(C)C)cc(C)c1Cl 223781408 AWMRCJXLYKKBHO-UHFFFAOYSA-N 375.896 4.654 0 40 GJAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(C)c(C)c1 224618808 HMGFWMUSBAYVRL-UHFFFAOYSA-N 379.456 4.804 0 40 GJAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 224915179 JEHXVAJFIQMSAJ-UHFFFAOYSA-N 381.778 4.713 0 40 GJAB CCC1(CC)C[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2O1 225603877 JRDANXORLDTCBI-IBGZPJMESA-N 387.545 4.973 0 40 GJAB O=C(CCc1ccc(Cl)c(Cl)c1)N[C@@H](c1cccnc1)C1CCOCC1 225619392 NEJLHUJFQDGOCR-HXUWFJFHSA-N 393.314 4.605 0 40 GJAB O=C(NCc1cccnc1-c1ccncc1)NC(c1ccccc1)c1ccccc1 225750198 GVDJFYHIVCHZTQ-UHFFFAOYSA-N 394.478 4.732 0 40 GJAB c1cc(Nc2cnccn2)nc(C2CCN(Cc3cccc4ncccc34)CC2)c1 257245474 IPQYHJSURWTASP-UHFFFAOYSA-N 396.498 4.543 0 40 GJAB COC1(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CCC(F)(F)CC1 665767502 MFSIUKXJITVUJN-UHFFFAOYSA-N 385.414 4.763 0 40 GJAB Cc1ccc2nc(COC(=O)[C@@H](CC(C)C)c3ccc(Cl)cc3)cc(=O)n2c1 1264405835 NVDKUWIXMSRRMM-IBGZPJMESA-N 398.890 4.529 0 40 GJAB FC(F)(F)c1ccc2nc(-c3ccc(I)cc3)cn2c1 633469 ZGGGXQXWZGOPQR-UHFFFAOYSA-N 388.130 4.625 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(I)cc2C(C)C)c1 638598 DTDCCMCGRDOENM-UHFFFAOYSA-N 379.241 4.975 0 40 GJAB COC(=O)c1c(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCC2 677542 UHQSIQGEHJXZEZ-TVQRCGJNSA-N 388.316 4.553 0 40 GJAB CCOc1cc(C=O)ccc1OCC(=O)N(C1CCCCC1)C1CCCCC1 873595 WTLDTUWXYXKESP-UHFFFAOYSA-N 387.520 4.771 0 40 GJAB Cc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cccc(C)c2C)cc1 937225 KVFLRZYTXQKMBU-UHFFFAOYSA-N 388.467 4.882 0 40 GJAB CC(C)COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O 990288 GCTQLQNDIMAPKA-UHFFFAOYSA-N 392.238 4.607 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 1340317 NIWHVJULBWZIIL-UHFFFAOYSA-N 387.530 4.746 0 40 GJAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)OCc1ccccc1 1447915 UWOUHJVIBZPSPJ-UHFFFAOYSA-N 386.403 4.582 0 40 GJAB biogenic O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 2290687 YFFVLLXLMCAESR-BKUYFWCQSA-N 391.373 4.888 0 40 GJAB COc1ccc(CN(CC[C@@H](c2ccccc2)c2ccco2)C(C)=O)cc1OC 2299617 GLQDRVWZYOCVJS-NRFANRHFSA-N 393.483 4.868 0 40 GJAB CCOc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)cc1 2422052 ZQWMYXXXEADBGL-UHFFFAOYSA-N 388.471 4.892 0 40 GJAB c1ccc(-c2nc3c(c(SC[C@H]4COc5ccccc5O4)n2)CCCC3)cc1 2443705 IPJFTGLFGMFWTI-QGZVFWFLSA-N 390.508 4.955 0 40 GJAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3192554 KBHXKPWEGOXOBI-UHFFFAOYSA-N 381.867 4.969 0 40 GJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3269998 BSMFIIJZNTYYNS-SDNWHVSQSA-N 392.890 4.977 0 40 GJAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(Br)ccc1Cl 3292793 FILVWFUKNAFBPK-UHFFFAOYSA-N 397.652 4.671 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(Cl)cc1Cl 3352794 VBJACVDLBAZNSW-UHFFFAOYSA-N 390.270 4.813 0 40 GJAB Cc1cc(C)c(C)c(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C 4541328 MTSCNDGLXJCDSF-LJQANCHMSA-N 398.572 4.876 0 40 GJAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1C 4555244 GWJOUABBWXGQED-AREMUKBSSA-N 399.490 4.619 0 40 GJAB CC(C)CN1[C@H]2CCC[C@@H]1CC(NC(=O)Nc1ccc(C(F)(F)F)cc1)C2 4886597 IXVZENKBECBETE-AYHJJNSGSA-N 383.458 4.868 0 40 GJAB CCCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2c(C)cccc12 4894974 JIRQJWGGIYTLBW-UHFFFAOYSA-N 383.492 4.753 0 40 GJAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(Nc2ccccc2)cc1 4921940 LULYLNWZVLFYNV-UHFFFAOYSA-N 389.480 4.835 0 40 GJAB O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 4922708 BUEUASXJMCBCQJ-UHFFFAOYSA-N 391.902 4.919 0 40 GJAB O=C(CNc1ccc(Br)cc1)c1ccc(Br)s1 5656689 BZTSWLAROITJSP-UHFFFAOYSA-N 375.085 4.568 0 40 GJAB c1ccc2c(CCNC3(c4nnnn4C4CCCCC4)CCCCC3)c[nH]c2c1 6062612 ROQUJVRLVRSCOP-UHFFFAOYSA-N 392.551 4.651 0 40 GJAB CCOc1ccc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1 6429641 NCRHWNDCPOBTAP-GHRIWEEISA-N 388.467 4.708 0 40 GJAB CCCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(F)cc3s2)n1 6810537 PHXGSYGGJLCPJQ-UHFFFAOYSA-N 382.873 4.633 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cc1 6837364 FXTZTHIHMDHRMT-UHFFFAOYSA-N 394.496 4.955 0 40 GJAB O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8071926 QDAPSQIQPGOYIC-AYJWMTRPSA-N 389.480 4.857 0 40 GJAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@H](c2nc3ccccc3s2)C1 8156085 BZAOXZDKADLPGD-SCLBCKFNSA-N 398.915 4.659 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCc4ccccc43)cc12 8231440 OWEBFWTUEKMCEO-UHFFFAOYSA-N 377.444 4.737 0 40 GJAB CC(C)c1cc(C(=O)NCCc2c[nH]c3ccccc23)c2cnn(C(C)C)c2n1 8314123 GUZNNVHJVYCNTR-UHFFFAOYSA-N 389.503 4.589 0 40 GJAB CCc1n[nH]c(=S)n1NCc1c(OCc2ccccc2)ccc2ccccc12 8338986 UPVRIDNVGZHPAT-UHFFFAOYSA-N 390.512 4.979 0 40 GJAB CCOc1c(Cl)cc(C(=O)Nc2ccc3nc(C)sc3c2)cc1OC 10783943 MKHSWPLDIPTEOL-UHFFFAOYSA-N 376.865 4.918 0 40 GJAB COc1ccc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1Cl 11257148 FKNDPIRXZFPUEJ-HXUWFJFHSA-N 386.904 4.728 0 40 GJAB O=S(=O)(NCc1csc(-c2ccccc2)n1)c1cc(Cl)cc(Cl)c1 12875446 FFHHRFYBIVCFLN-UHFFFAOYSA-N 399.324 4.595 0 40 GJAB Cc1ccc(-c2nc(CN3c4cccc5cccc(c45)S3(=O)=O)co2)cc1 12903149 KRSHGTQLCUZPPS-UHFFFAOYSA-N 376.437 4.512 0 40 GJAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccc(F)cc3)s2)cc1 13019931 NXRSJCDMIVVJCH-YBEGLDIGSA-N 387.867 4.653 0 40 GJAB Fc1ccc(/C=C2\CCCC3=C2N=C2N=CNN2[C@H]3c2ccc(F)cc2)cc1 13122450 QLQTYYJYZIXFON-AUFJSOOLSA-N 376.410 4.746 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2c(F)cccc2Cl)c(C)c1 13672337 GOAKUYDASIJEFM-UHFFFAOYSA-N 395.883 4.836 0 40 GJAB CCOc1cc(/C=C/C(=O)Nc2ccc(C)cc2Br)ccc1OC 15315888 MTKUMORSTQPZAZ-JXMROGBWSA-N 390.277 4.817 0 40 GJAB O=C(CSc1nc2ccccc2s1)NCCCn1ccc2ccccc21 15743475 LBIJGVQITTXKCQ-UHFFFAOYSA-N 381.526 4.550 0 40 GJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(SC(F)(F)F)cc1 17363090 DZPMXOINBYTCGT-UHFFFAOYSA-N 394.462 4.693 0 40 GJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccncc3)no2)cc1OC 19561527 LROCDYRHQJVZLH-HXUWFJFHSA-N 393.487 4.871 0 40 GJAB Cc1ncc(-c2ccncc2C)c([C@H]2CCCCN2C(=O)c2csc(C)c2)n1 19571830 LAXHGEATGZGONM-HXUWFJFHSA-N 392.528 4.893 0 40 GJAB Cc1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1C 21659914 OSAVBCPJTWDQTF-NRFANRHFSA-N 386.495 4.684 0 40 GJAB COc1ccccc1CCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 25461468 SNUGKGKCCJNVFA-UHFFFAOYSA-N 389.455 4.911 0 40 GJAB C[C@H](NCc1ccc(F)c(Br)c1)c1ccc(NC(=O)C2CC2)cc1 28925479 GXWCHGSWUPNBSM-LBPRGKRZSA-N 391.284 4.788 0 40 GJAB C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)n1cc(Br)cn1 32609630 QPHPNFKPOAEJFA-ZCFIWIBFSA-N 397.487 4.806 0 40 GJAB Cc1ccc(-c2nnc(CCC(=O)Nc3cc(Cl)c(N)c(Cl)c3)o2)cc1 32841607 IUUILGNVKZJBBQ-UHFFFAOYSA-N 391.258 4.505 0 40 GJAB O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1OCCOc1ccccc1 32958340 XRNJRXCYSPAXMU-HSZRJFAPSA-N 387.479 4.952 0 40 GJAB COc1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)c(OC)c1 36770086 NXUQETQJUOSFKC-KGENOOAVSA-N 399.446 4.740 0 40 GJAB CC(=O)c1cn(CCC(=O)Nc2nnc(C3CCCCC3)s2)c2ccccc12 44916855 ZRVANRNXFCKNBX-UHFFFAOYSA-N 396.516 4.772 0 40 GJAB Cc1ccc(C(=O)OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1C 51315356 UAUATPFCKPCKDI-UHFFFAOYSA-N 392.333 4.609 0 40 GJAB Cc1nc(C)c([C@@H](C)NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)s1 56022810 LPWHWKNAVBDZCR-LLVKDONJSA-N 389.521 4.746 0 40 GJAB O=C(Cc1csc(-c2ccccn2)n1)Oc1ccccc1Cc1ccccc1 57662247 SBWHEPPFVBJLFK-UHFFFAOYSA-N 386.476 4.944 0 40 GJAB CCc1ccc(-c2n[nH]c(SCc3cc(Cl)c4c(c3)OCCO4)n2)cc1 57781411 QREWGUKOHQVVCS-UHFFFAOYSA-N 387.892 4.751 0 40 GJAB O=C(Nc1cccc(OC(F)(F)F)c1)c1sc(N2CCCC2)nc1Cl 58099831 LMOOWEPMIOWDBJ-UHFFFAOYSA-N 391.802 4.548 0 40 GJAB C[C@@H](NCc1ccccc1CN1CCCC1)C(=O)Nc1ccc2ccccc2c1 58160631 IRTSOURLXZOXEE-LJQANCHMSA-N 387.527 4.552 0 40 GJAB COc1cccc2c1ccn2CCC(=O)Nc1nnc(C2CCCCC2)s1 61720703 ZNRKUWLQVSQGGK-UHFFFAOYSA-N 384.505 4.578 0 40 GJAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccccc2OC)s1 71326534 CSFAZCIYVIQYED-UHFFFAOYSA-N 381.501 4.696 0 40 GJAB Cn1ccc2c(NC(=O)Cn3ccc4cc(Br)ccc43)cccc21 72324889 BOEBUSDICASEQX-UHFFFAOYSA-N 382.261 4.534 0 40 GJAB biogenic C[C@@H](CN1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 72352778 UOPJJORNGHLBHK-ICSRJNTNSA-N 395.547 4.720 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCC(Oc4c(C)cccc4C)CC3)n[nH]2)s1 84225230 YVUKSTOKZIOIKE-UHFFFAOYSA-N 395.528 4.747 0 40 GJAB CCOc1cc(C=O)ccc1OCc1nc(-c2cc(Cl)ccc2Cl)no1 89263014 UCOOXCKGZKKQST-UHFFFAOYSA-N 393.226 4.834 0 40 GJAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)C1=NO[C@@H](c2ccccc2)C1 95360991 VHNICMNHMYXBIC-MRXNPFEDSA-N 385.395 4.544 0 40 GJAB O=C(Nc1ccc(CN2CCCCC2)nc1)c1cc(-c2ccc(Cl)cc2)on1 97108989 WSRPFMYYUJEAFA-UHFFFAOYSA-N 396.878 4.628 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CCCCC2 102618082 OJPOMHMZIPDBHR-DZKIICNBSA-N 375.534 4.959 0 40 GJAB Cc1nc(C)c(COC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1 105372310 OCEZMFIYONIUAF-UHFFFAOYSA-N 375.453 4.727 0 40 GJAB O=C(COc1ccccc1Cl)NCCSCc1c(F)cccc1Cl 218846682 JJWWKIVLYHEHMK-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB Cc1ccc(-c2noc(CNC(=O)c3ccccc3OCc3ccccc3)n2)cc1 218988223 QWDSZIRIACTLGH-UHFFFAOYSA-N 399.450 4.554 0 40 GJAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 222820877 GAGXFCXMBZPBTG-WOJBJXKFSA-N 396.947 4.907 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccco1 222916592 VZCXNQGAJCXXLO-LJQANCHMSA-N 375.534 4.784 0 40 GJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H](C)c1ccccc1C 224052144 XWWGIEVSFMNWCF-CEZZIEKDSA-N 388.467 4.545 0 40 GJAB CCC1(CC)C[C@H](NC(=O)CCc2ccc(OC)c(OC)c2)c2ccccc2O1 225061778 XJTAPMCBMXDUDN-IBGZPJMESA-N 397.515 4.835 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)CCc1ccc(Cl)c(Cl)c1 225331438 KRCPEGXOYCSLBB-UHFFFAOYSA-N 388.298 4.737 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1F 225392050 RYILFVKMRWGRON-UHFFFAOYSA-N 383.806 4.971 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 225479410 DYWXUQUNAHOXOH-NFBKMPQASA-N 394.559 4.568 0 40 GJAB CC(C)(C)c1ccc2c(c1)C(=O)CC1(CCN(C(=O)Cc3ccccc3)CC1)O2 225818594 JQQOPSAYNXCPOJ-UHFFFAOYSA-N 391.511 4.553 0 40 GJAB Cc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1Cl 225818925 DYSCKWODZXAONA-UHFFFAOYSA-N 393.299 4.838 0 40 GJAB Cc1ccc(C2(NC(=S)Nc3ccc(N4CCCC4=O)cc3)CCCC2)cc1 225865165 KKAFNHLSCJTUBK-UHFFFAOYSA-N 393.556 4.878 0 40 GJAB O=C(O)c1ccc(CN2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)cc1 257322087 WENYOZHDKJRCBB-NRFANRHFSA-N 394.446 4.830 0 40 GJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 409329675 GYBLKAGTUXBDQE-UNOMPAQXSA-N 394.496 4.541 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(C)c3)[C@](O)(C(F)(F)F)[C@@H]2C1 409349513 UAPNWCKVYBDFJC-JXXFODFXSA-N 396.453 4.910 0 40 GJAB O=C(NCCc1c[nH]c2ncccc12)c1ccc(Oc2ccc(F)cc2F)cc1 505893215 NCGJGEIBJGGCTI-UHFFFAOYSA-N 393.393 4.606 0 40 GJAB O=C(C[C@H]1C(=O)Nc2ccccc21)N[C@H]1CCc2ccc(-c3ccccc3)cc21 681696134 QZKQQYXDKLSFON-GGAORHGYSA-N 382.463 4.583 0 40 GJAB Cc1cc([C@@H](C)NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c(C)o1 1251316110 KMSMHRHZFXIMKO-CYBMUJFWSA-N 391.393 4.900 0 40 GJAB Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)o1 1615125644 FVGIEMAMKGUKFD-UTKZUKDTSA-N 384.495 4.566 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)NC12CC3CC(CC(C3)C1)C2 1775978145 NLAGHYSGWXCFQZ-SXYIGIQMSA-N 396.556 4.717 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(C)n1CCc1ccccc1 891397 YQSDAWLPZMQRED-QGZVFWFLSA-N 394.544 4.565 0 40 GJAB CC(C)c1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2ccccc2n1 1342947 APKUCKKHQWGBDN-UHFFFAOYSA-N 398.557 4.819 0 40 GJAB Cc1cc2nnc(SCC(=O)Nc3ccccc3Cl)n2c2ccccc12 1927637 LAKINKXQPWHAKM-UHFFFAOYSA-N 382.876 4.575 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCCC2 2086546 XSOYSOLBHYIPJD-IAGOWNOFSA-N 383.513 4.936 0 40 GJAB CCCCSc1nc(NC[C@@H](C)O)c2c3c(sc2n1)CO[C@](C)(CC)C3 2423492 CYQUGIJRQGOHNL-CWTRNNRKSA-N 395.594 4.618 0 40 GJAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 2753130 IHKLBFXFXQCZPI-UHFFFAOYSA-N 387.435 4.595 0 40 GJAB COc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1OC 2961465 FNTHUPZWRKZRDI-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB CCc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 3072865 KACKNZLCDUOYQO-CYBMUJFWSA-N 377.271 4.547 0 40 GJAB CCCCC(=O)Nc1c(C(=O)Nc2ccc(OC)c(OC)c2)oc2ccccc12 4353934 BDCBXBFFNLQDFV-UHFFFAOYSA-N 396.443 4.831 0 40 GJAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 4556428 CVCJOGBMGGUPHA-IBGZPJMESA-N 397.475 4.954 0 40 GJAB CCOc1ccc(Cc2noc3c2C(=O)C[C@@H](c2ccccc2)C3)cc1OCC 4686505 WOSVJAOYFNSRTN-GOSISDBHSA-N 391.467 4.976 0 40 GJAB Cc1cccc(C(=O)NC(NC(=O)c2cccc(C)c2)c2ccccc2Cl)c1 4747650 GTSUNLAEPFRMFB-UHFFFAOYSA-N 392.886 4.815 0 40 GJAB COc1cc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc(OC)c1OC 5015826 BSTIEHJELULBCC-UHFFFAOYSA-N 392.864 4.536 0 40 GJAB CC1CCC(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)CC1 5219881 ILUHVCVOSNGYRO-UHFFFAOYSA-N 387.549 4.821 0 40 GJAB CN(C(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21)c1ccccc1 6388578 KEUJILDEYFROQA-UHFFFAOYSA-N 386.426 4.674 0 40 GJAB Cc1nnc(SCc2nc(-c3cccs3)no2)n1-c1ccc(Cl)cc1 6804370 ONYHXEXFQZHHMZ-UHFFFAOYSA-N 389.893 4.633 0 40 GJAB Cc1ccc(/N=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1[N+](=O)[O-] 6966940 YDNIBVSSLAMMRV-UUYOSTAYSA-N 377.400 4.760 0 40 GJAB CC[C@@H](C)n1c(SCc2nc(-c3cccs3)no2)nc2ccccc2c1=O 7217364 HZMKIFCKQYBBST-GFCCVEGCSA-N 398.513 4.771 0 40 GJAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1 7472802 MXHSSXFWTXPJNN-NSHDSACASA-N 392.406 4.610 0 40 GJAB CSc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 7653590 DKCCECXGDPIANQ-UHFFFAOYSA-N 388.920 4.553 0 40 GJAB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(O)c(OC)c2)cc1 7884068 RTGJJAUECUCMIS-JOCHJYFZSA-N 390.439 4.571 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(Cl)c(C)c2)nnc1-c1ccccc1 8090250 JLWXJIMSJWAAKO-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)COc1ccc(Cl)c2cccnc12 8196225 KRKUQCJEWMHALW-UHFFFAOYSA-N 397.887 4.535 0 40 GJAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1 9461185 BVLRGPAEOOCRAN-UHFFFAOYSA-N 390.483 4.650 0 40 GJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(F)c(Cl)c2)c1 10490120 ISVROVOOSDTDFH-UHFFFAOYSA-N 390.871 4.737 0 40 GJAB Cc1oc(-c2ccccc2)nc1CSc1nnc(-c2ccccc2F)n1C 11210708 WWORJIBSMZBOJU-UHFFFAOYSA-N 380.448 4.877 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n23)cc1 11903168 VUIFKMVEKVEEDF-UHFFFAOYSA-N 376.485 4.539 0 40 GJAB Cc1c(C(=O)N2CCC[C@H]2[C@H](O)c2nc3ccccc3s2)oc2ccccc12 12183093 JRZHWXUKJYDYLX-LPHOPBHVSA-N 392.480 4.689 0 40 GJAB O=C(CCc1cc(Cl)no1)Nc1ccc(C(=O)c2cc3ccccc3o2)cc1 12410018 GFJPHDLLTBHSME-UHFFFAOYSA-N 394.814 4.877 0 40 GJAB biogenic CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Cl)c2ncccc12 12753029 YROXSKBDESQDTK-FQEVSTJZSA-N 391.858 4.791 0 40 GJAB CCOC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1C 13673972 CLYLCQGWWQFHRW-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@H]1CCSc2ccccc21 14228315 ARBCBHPPQJULAQ-IBGZPJMESA-N 394.496 4.837 0 40 GJAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2Cc2ccccc2)c(C)c1 17960812 SWNMSSITHFAYEO-UHFFFAOYSA-N 386.495 4.571 0 40 GJAB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccc(F)cc1)nn3CC(C)C 21596597 VLSAWFPTZOMWMT-UHFFFAOYSA-N 376.435 4.940 0 40 GJAB COc1ccc(Cl)c2sc(N(C[C@@H]3CCCO3)C(=O)C3CCCC3)nc12 23108277 DWAYSPISFGKHEC-ZDUSSCGKSA-N 394.924 4.661 0 40 GJAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3sccc3C)oc2c1 27989535 BKFARVXUYQYMSI-UHFFFAOYSA-N 393.464 4.907 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)c1C 27992538 UOOXBGIBNZYCOE-QGZVFWFLSA-N 380.513 4.553 0 40 GJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(Br)cc1 28229888 HLMUYXDOLMPQCJ-UHFFFAOYSA-N 390.668 4.600 0 40 GJAB CC(C)OP(=O)(OC(C)C)C(N(C)C)P(=O)(OC(C)C)OC(C)C 31841156 OGTSCANDYJIFJX-UHFFFAOYSA-N 387.394 4.918 0 40 GJAB Cc1ccccc1-n1ccnc1SCC(=O)N[C@@H]1CCSc2ccccc21 32338283 ZLEUDLAKYALMOH-QGZVFWFLSA-N 395.553 4.626 0 40 GJAB CC[S@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 32722389 JYSOCZIVZYNRTK-CBZJRKILSA-N 377.509 4.972 0 40 GJAB Cc1ccc(NC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)c(C)c1 33172558 ASTZPSJQAUWFHW-UHFFFAOYSA-N 376.485 4.767 0 40 GJAB CCOc1ccc(-c2noc(Cc3nc(-c4cccc(OC)c4)cs3)n2)cc1 33298208 QUYOUIBBAARUSG-UHFFFAOYSA-N 393.468 4.858 0 40 GJAB COc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CC3)cc2c1 35315997 AGCRPEXNROLYEB-UHFFFAOYSA-N 398.865 4.975 0 40 GJAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 38486251 BYKAPNDSFPWQBO-UHFFFAOYSA-N 399.479 4.716 0 40 GJAB O=C(NC1CCCCC1)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501105 CMFLXXVJIRTKGC-UHFFFAOYSA-N 393.462 4.653 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1 38756282 CZSFVMZPEIQNAX-LBPRGKRZSA-N 380.307 4.885 0 40 GJAB CCCCc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1 40128362 DIYDHBYDCGDGNU-UHFFFAOYSA-N 397.500 4.821 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccccc2C)cc1OCC 44884948 KSTJYAFNVKQMRO-MJGOQNOKSA-N 385.504 4.827 0 40 GJAB Cc1cc(SCC(=O)Nc2cc(F)ccc2F)nc(-c2ccc(F)cc2)n1 67257212 DBPFASSNNWEBDC-UHFFFAOYSA-N 389.402 4.600 0 40 GJAB CCCCc1ccc(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)cc1 71283366 SVEBIRMETJGDPB-UHFFFAOYSA-N 395.890 4.545 0 40 GJAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1nnc(C2CCCCC2)s1 71287297 YJNMBFJOLYDMHR-UHFFFAOYSA-N 385.518 4.665 0 40 GJAB CC(=O)Nc1cccc(-c2cccc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72349633 PBFBGXKHPBYEGH-FQEVSTJZSA-N 391.515 4.603 0 40 GJAB CCCC(=O)N1CCC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NCC)C1 72391197 ZGJIAINLGXWNMX-QHCPKHFHSA-N 398.572 4.503 0 40 GJAB Cc1ccccc1OCCNC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 84247616 YOPITOJOIFJNOV-UHFFFAOYSA-N 394.085 4.812 0 40 GJAB Cc1csc(-c2ccc(NC(=O)N3CCC[C@H]3c3c(C)n[nH]c3C)cc2)n1 92734724 FNUQCCQGWPEKNH-KRWDZBQOSA-N 381.505 4.827 0 40 GJAB O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1cccc(Cl)c1)SCC(O)=N2 95478203 UOLZRPZIBPEWDO-MRXNPFEDSA-N 377.897 4.759 0 40 GJAB Cc1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)o1 96099928 AKPOPECYKSAYOU-UHFFFAOYSA-N 386.499 4.916 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103245612 YRWRIRXTNBTXFS-PYJNHQTQSA-N 376.859 4.997 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)CC(C)(C)O2 219302834 OMGTULXROMLPEO-XLIONFOSSA-N 397.515 4.806 0 40 GJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCc1ccccc1Cl 219461212 YASXENSAHHRPNI-UHFFFAOYSA-N 378.859 4.550 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222713355 SDFORLPZKVLWCW-ORAYPTAESA-N 391.920 4.859 0 40 GJAB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(OC)c(C)c1 224367863 ZNNKZXHJSYCNRV-OAHLLOKOSA-N 388.316 4.740 0 40 GJAB CCOc1ccc(-c2cnc(CCC(=O)NCc3ccc(Cl)cc3)o2)cc1 224855654 VYRCHDPLQSCASH-UHFFFAOYSA-N 384.863 4.643 0 40 GJAB COc1ccc2cc(S(=O)(=O)Nc3ccc(N4CCCCC4)cc3)ccc2c1 224979528 IVKSLQIUKNBFFX-UHFFFAOYSA-N 396.512 4.640 0 40 GJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1cccc2ccccc12 225807410 VCMPHZSTBRFGTQ-UHFFFAOYSA-N 391.858 4.792 0 40 GJAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3F)o2)on1 257218988 DFDQKVYVWVDQNF-IBGZPJMESA-N 397.450 4.883 0 40 GJAB COCCNC(=S)c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408577574 TWCWFERRBGUYDQ-UHFFFAOYSA-N 388.291 4.623 0 40 GJAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 409023154 PYGNNTHNNXEFSY-NTCAYCPXSA-N 376.500 4.872 0 40 GJAB Cc1ccc(C(=O)N2N=C(C3CCCCC3)C[C@]2(O)C(F)(F)F)cc1Cl 409094561 FRTVDLYQBUCMTD-KRWDZBQOSA-N 388.817 4.682 0 40 GJAB COC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CC[C@@H](C(C)(C)C)C2 708873 DCZSVQUYMQBTNB-GFCCVEGCSA-N 375.490 4.839 0 40 GJAB Cc1ccc(-n2ncc3c(Nc4ccc(Br)cc4)ncnc32)c(C)c1 756718 SLTITWOXUYUBQO-UHFFFAOYSA-N 394.276 4.938 0 40 GJAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ncc(C(F)(F)F)cc1Cl 1385630 SVXKKSWCRVYOQA-UHFFFAOYSA-N 392.768 4.772 0 40 GJAB Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccco4)c3)oc2c1 1411720 OZFOQFKVVAQLEN-UHFFFAOYSA-N 391.452 4.831 0 40 GJAB O=Cc1cc(Br)c(OCCc2ccccc2)c(Br)c1 1440943 GLMGVQACVYRZPU-UHFFFAOYSA-N 384.067 4.646 0 40 GJAB CCCOc1ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc2c1C 2137624 PEFHTTWXGZZXLM-UHFFFAOYSA-N 392.407 4.672 0 40 GJAB biogenic Cc1ccc(COc2cccc3c2CCN(Cc2ccc(F)cc2)C3=O)cc1 2716366 MXILKGGJBABLTB-UHFFFAOYSA-N 375.443 4.912 0 40 GJAB CCOc1cccc2sc(N3CCN(c4nc5ccccc5s4)CC3)nc12 4137845 OPPBVPLBTJALBD-UHFFFAOYSA-N 396.541 4.631 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc2c(c1)CCCC2 4224290 MAKDKUDTEKBAFB-UHFFFAOYSA-N 378.453 4.670 0 40 GJAB COc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)cc1 4598342 YFGSIUWIXSPRPE-UHFFFAOYSA-N 391.283 4.619 0 40 GJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccc(OC)c(OC)c1 4849268 CUTKOCKMTBLOLH-UHFFFAOYSA-N 396.512 4.854 0 40 GJAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)c1cccs1 4880774 UMZIVBNPMHKOAK-UHFFFAOYSA-N 388.920 4.855 0 40 GJAB Cc1ccc(SCCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 5191287 RXFBBFWOERAQNO-UHFFFAOYSA-N 388.558 4.545 0 40 GJAB C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NC1CCCC1 5288011 SHLYGCIVLZYRHS-ZDUSSCGKSA-N 383.542 4.898 0 40 GJAB Cc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2)cc1 5484094 ZQKXIMDJQYWERJ-XMMPIXPASA-N 384.479 4.733 0 40 GJAB COc1cccc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)c1OC 5510223 UHIMKESAPRNSFX-UHFFFAOYSA-N 377.440 4.768 0 40 GJAB COc1ccc2c(CC(=O)OCc3csc(-c4ccccc4)n3)coc2c1 6156424 SOFRCBWGCCSCMP-UHFFFAOYSA-N 379.437 4.851 0 40 GJAB CCCc1sc(N/C=C2/C(=O)N(C)c3ccccc32)c(C(=O)OCC)c1C 6204891 ZGQYBLKEWUWLDY-NTCAYCPXSA-N 384.501 4.615 0 40 GJAB COc1ccc(OCC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 6441548 QAIOTMNOXMNMSG-UHFFFAOYSA-N 383.256 4.629 0 40 GJAB COc1cc(CN(C)C(=O)c2ccc(F)cc2F)ccc1OCc1ccccc1 6995000 NWJQNGHEDUYCLB-UHFFFAOYSA-N 397.421 4.825 0 40 GJAB CC[C@@H](C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1)c1ccccc1 8071966 KWXPVAMXHWZIQB-MRXNPFEDSA-N 399.541 4.640 0 40 GJAB CCNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 8227130 CSHHLSPDYGRODE-UHFFFAOYSA-N 384.701 4.800 0 40 GJAB O=C(COc1ccccc1Cl)N1CCc2sccc2[C@H]1c1ccccc1 8327743 HBPHJWAWAPHPPO-OAQYLSRUSA-N 383.900 4.955 0 40 GJAB Cc1cc(NC(=O)C2CCN(Cc3ccccc3)CC2)ccc1Br 9062793 KXKLULJFCLLUKK-UHFFFAOYSA-N 387.321 4.608 0 40 GJAB Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 9938793 SPDSCQWTPVBEGM-CQSZACIVSA-N 377.444 4.842 0 40 GJAB Cc1ccc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1 10365359 FEZNZHMIKQQZNY-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(-c2nc(NCc3cccc(F)c3)ncc2-c2cc(C)no2)cn1 12154388 HLJMEMLICAAWEJ-UHFFFAOYSA-N 375.407 4.562 0 40 GJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCCc3cccs3)cc2)o1 14238044 DMGFSONZEIPKML-UHFFFAOYSA-N 389.480 4.746 0 40 GJAB SC1=N[C@@H](c2ccc3c(c2)OCO3)C=C(c2ccc(Cl)c(Cl)c2)N1 19074852 RHXCAESJSHOOSK-CQSZACIVSA-N 379.268 4.693 0 40 GJAB CCN(Cc1ncc[nH]1)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 19711986 IIWUXSLFPQBHFE-JTHBVZDNSA-N 391.515 4.828 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1 20456865 MEFJKKZXQGBWPC-GOSISDBHSA-N 379.909 4.544 0 40 GJAB Cc1ccc([C@@H](NS(=O)(=O)Cc2ccccc2Cl)c2ccccc2)cc1 20492800 HJLYZRPNPOUUGF-NRFANRHFSA-N 385.916 4.857 0 40 GJAB CCn1cc(C(=O)Nc2cc(Cl)ccc2Cl)c(=O)c2cc(C)ccc21 22234629 QWEYJYWDFLMXAW-UHFFFAOYSA-N 375.255 4.889 0 40 GJAB CCn1cc(C(=O)Nc2ccc(F)c(F)c2)c(=O)c2cc(C(F)(F)F)ccc21 22237060 KRWRJQMELYVIQN-UHFFFAOYSA-N 396.315 4.571 0 40 GJAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NC(C1CC1)C1CC1 22385515 NPNLWURWMOMYBB-UHFFFAOYSA-N 385.305 4.738 0 40 GJAB Cc1ccc([C@](O)(CCNc2ncnc3c2oc2ccccc23)C(F)(F)F)o1 22751610 NGCRHSXWCOGAEQ-GOSISDBHSA-N 391.349 4.530 0 40 GJAB Cc1c(C(=O)N[C@@H](C)c2cccs2)cnn1-c1cccc(C(F)(F)F)c1 22990261 NFEKZNYGEBTAAY-NSHDSACASA-N 379.407 4.752 0 40 GJAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC(C)CC2)cc1 23109695 YCGKGZXCLRNRMP-UHFFFAOYSA-N 394.540 4.866 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)N[C@@H](c3ccccc3)c3cccs3)c2C)no1 23184478 NJGALSVEZFGREO-NRFANRHFSA-N 391.496 4.971 0 40 GJAB O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)Nc1ccccc1F 33012308 KGCWNGZMHDTTIZ-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(Cc1ccc(Cl)cc1)CO2 57121078 UIGRJWXCWTWURG-UHFFFAOYSA-N 395.886 4.986 0 40 GJAB COc1ccc(Sc2ccc(NC(=O)[C@H](C)n3ccnc3)cc2Cl)cc1 58004847 YBZIAOFKFKCOFG-ZDUSSCGKSA-N 387.892 4.896 0 40 GJAB Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72356062 CBNHWKLQINWQKV-NRFANRHFSA-N 389.474 4.535 0 40 GJAB O=C(Nc1cnn(-c2nccs2)c1)c1ccccc1SCc1cccs1 89811942 KEMYQRYUHDKWII-UHFFFAOYSA-N 398.538 4.935 0 40 GJAB CCOP(=O)(OCC)[C@@H]1C[C@H]2C(=O)CCCC[C@H]2N1Cc1ccccc1 212419043 KPCJORJMYAPFSR-QWFCFKBJSA-N 379.437 4.612 0 40 GJAB Cc1sc2ncnc(SC[C@@H](O)COCc3ccc(Cl)cc3)c2c1C 215876258 SYAZWFCNBZLCMU-HNNXBMFYSA-N 394.949 4.631 0 40 GJAB CCc1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)c(Br)c1 218862898 PYBKEMRPEDDKGC-OAHLLOKOSA-N 390.321 4.528 0 40 GJAB Cc1ccccc1[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1 223070162 DYAXOQOUAGUVAV-XMMPIXPASA-N 384.479 4.641 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CC1 223336210 CPKASGGMGYFLBC-RTWAWAEBSA-N 392.528 4.601 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)NC1CCCCC1 225187401 IWWFTKFFWIMSMN-LJQANCHMSA-N 378.944 4.696 0 40 GJAB CCOc1ccc(NC(=S)NCCCSCc2ccccc2F)cc1 225611804 WPJUXXQORDGYRW-UHFFFAOYSA-N 378.538 4.834 0 40 GJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225749556 GOVDWUSYIDZFGH-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1C 225908421 MWMVSMFVIUZVAZ-NRFANRHFSA-N 380.529 4.509 0 40 GJAB CCOC(=O)c1cc(Cl)c(OC(=O)c2cccc(Cl)c2)c(OCC)c1 226307194 ZFWIRAHYHHNZQI-UHFFFAOYSA-N 383.227 4.788 0 40 GJAB O=C(O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226344735 XEQIIKXJQPXHMN-UHFFFAOYSA-N 386.032 4.997 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)n1c(C)c(C(=O)O)c2ccccc21 226367371 MVOMBSVEEGLDLH-UHFFFAOYSA-N 378.211 4.652 0 40 GJAB Cc1nc(Nc2cncc(C3CCN(CCc4ccccc4)CC3)n2)sc1C 257343366 ZSRLIURDCIBMPC-UHFFFAOYSA-N 393.560 4.716 0 40 GJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCC2)cc1 408679322 VXTNZBZNUDJBJE-UHFFFAOYSA-N 390.483 4.637 0 40 GJAB CO[C@@H](C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1)[C@H]1CCOC1 622769871 XFSDVELZDDBUAT-KPZWWZAWSA-N 396.270 4.776 0 40 GJAB O=C(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(-c2ccsc2)s1 675008383 VHVMWYXJHRLZJH-INIZCTEOSA-N 391.945 4.912 0 40 GJAB Cc1cc(NC(=O)c2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)cc2n[nH]cc12 1633141300 YVAOXDFDGUVMMB-AWEZNQCLSA-N 394.475 4.709 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](Cc3cccnc3)C2)cc1 1848353653 DAHWNYPKFQCQLG-OAQYLSRUSA-N 386.495 4.902 0 40 GJAB CCOc1ccc(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 824908 CTQJKPWXAGKQOV-AWEZNQCLSA-N 393.723 4.685 0 40 GJAB Cc1sc2nc(C(C)C)nc(SCC(=O)NCc3ccccc3)c2c1C 1340351 AWWBOODRGKUWAF-UHFFFAOYSA-N 385.558 4.840 0 40 GJAB CCCN(C(=O)c1ccccc1OCC)c1nnc(-c2cccc(F)c2)s1 1345485 UUMNQASZQKGHQN-UHFFFAOYSA-N 385.464 4.800 0 40 GJAB CCN(CC)CCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2225866 DNQQTKRXAFIWRP-UHFFFAOYSA-N 397.592 4.680 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccccc1 2621268 NPYJWGXHRBTZBD-UHFFFAOYSA-N 375.453 4.561 0 40 GJAB O=C(COc1ncnc2scc(-c3ccccc3)c12)NCCC1=CCCCC1 2656652 WGHYVTUCIQQDLJ-UHFFFAOYSA-N 393.512 4.744 0 40 GJAB NC1=C(c2nc3ccccc3s2)CC(=O)N1c1ccc(SC(F)F)cc1 3230475 SKTZMPQGPWGNLG-UHFFFAOYSA-N 389.452 4.675 0 40 GJAB COc1cc(C(=O)Nc2nc(C)cs2)ccc1OCc1ccc(Cl)cc1 3404031 GSTOOYBXOURZEW-UHFFFAOYSA-N 388.876 4.945 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)CSC3)cc1C 4224477 HSWFQSVYURHRIL-UHFFFAOYSA-N 385.439 4.766 0 40 GJAB O=c1ccc(-c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 4237518 YACPTEUUTNYGLX-DOTOQJQBSA-N 396.943 4.850 0 40 GJAB biogenic,in-vitro Cc1ccccc1OCCn1c([C@@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 4910775 GKNGAHCOVYIWKN-GOSISDBHSA-N 391.515 4.538 0 40 GJAB O=C(Cc1ccc(F)cc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 5264565 WXLYMXYMXLCLFE-UHFFFAOYSA-N 395.434 4.745 0 40 GJAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc(-c2ccccc2)cc1 5477986 URRXOTBUZRATHC-ZMNABIIRSA-N 380.491 4.991 0 40 GJAB COc1cc(C2SCCS2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 5937720 OMIRCIRBPIDOSF-UHFFFAOYSA-N 389.542 4.808 0 40 GJAB C[C@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 6059388 CXGNXBYKIOOZQX-INIZCTEOSA-N 393.414 4.589 0 40 GJAB CCc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 6398713 VZOBCQOEBNTWDP-UHFFFAOYSA-N 387.435 4.541 0 40 GJAB Cc1ccc(NC(=O)[C@H](Sc2cccc[n+]2[O-])c2ccccc2)cc1Cl 6566592 QPZBMKQPBBFVMM-LJQANCHMSA-N 384.888 4.754 0 40 GJAB CC(=O)Nc1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1 7094373 MNCCZGHUGBFJOW-UHFFFAOYSA-N 383.300 4.824 0 40 GJAB c1coc(-c2cc(CSc3nnc(Cc4cccs4)n3C3CC3)no2)c1 7546601 FCXXCNLJSSKZCD-UHFFFAOYSA-N 384.486 4.806 0 40 GJAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 7928119 VXULBQRSOZQYKC-LLVKDONJSA-N 397.689 4.947 0 40 GJAB COc1ccccc1/C=C/C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 8215264 BAHAXAWHEQRWRA-VAWYXSNFSA-N 387.395 4.657 0 40 GJAB Fc1ccc(F)c(-c2nnc3sc(-c4ccc(Br)cc4)nn23)c1 9053773 TUTQNAJHKICALT-UHFFFAOYSA-N 393.216 4.561 0 40 GJAB CCCCCOc1ccc(/C=C/C(=O)/N=c2\[nH]c3ccccc3s2)cc1OC 9111220 ZGAMRJQICNOAGB-ACCUITESSA-N 396.512 4.948 0 40 GJAB CCCCNc1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1 9622757 YAPYMSGETRTJBB-UHFFFAOYSA-N 376.439 4.910 0 40 GJAB CSc1ccc(Cl)c(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 9951134 COGOTYUICNHXRE-KRWDZBQOSA-N 378.925 4.612 0 40 GJAB O=C(COc1ccc(F)cc1Cl)Nc1ccc2c(c1)OC1(CCCC1)O2 9992044 PVQNXIFYCLZWQV-UHFFFAOYSA-N 377.799 4.538 0 40 GJAB CCc1cccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c1 10412745 ZBVPSUQGMRIKPN-UHFFFAOYSA-N 391.920 4.628 0 40 GJAB COc1ccccc1C1(NC(=O)CCn2ccnc2-c2ccccc2)CCCC1 12115982 CJSQDZHVVUIXFR-UHFFFAOYSA-N 389.499 4.535 0 40 GJAB C[C@H](C(=O)Nc1ccc(Cl)cc1F)N(C)Cc1nc2ccccc2s1 12943622 WSKPYSBGYVKCFN-LLVKDONJSA-N 377.872 4.548 0 40 GJAB Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1 13006123 WMDHBBLDHODFMP-UHFFFAOYSA-N 388.467 4.773 0 40 GJAB Cc1sc2ncnc(SCC(=O)N[C@H](C)c3ccc(F)c(F)c3)c2c1C 14234313 NVZGKYKQXDKSRP-SNVBAGLBSA-N 393.484 4.556 0 40 GJAB CCCOc1ccc(C[C@H]2C(=O)N(CC)c3ccc(Br)cc32)cc1 15018207 YYTJGHPMJXOERP-GOSISDBHSA-N 388.305 4.931 0 40 GJAB COc1ccc(-n2c3c(c(SCc4ccccc4Cl)nc2=O)CCC3)cc1 15840453 HRKSTAAOWMAAEP-UHFFFAOYSA-N 398.915 4.676 0 40 GJAB CC(C)(C)C(=O)N1CCC(c2nc3ccc(F)cn3c2NC2CCCC2)CC1 19081082 ZGLZJLNPSZPSML-UHFFFAOYSA-N 386.515 4.580 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2ccc(-n3ccnc3C)cc2)cc1OC 19659171 ROKWZFCORIXGON-OAQYLSRUSA-N 377.488 4.535 0 40 GJAB COc1ccccc1-c1ccccc1CN1CCC[C@H](Cn2ccnc2C)C1 19714574 SJPUAQGMCCJSQD-FQEVSTJZSA-N 375.516 4.779 0 40 GJAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(F)cc1)CO3 20412335 LYOQYBFGUSFXSM-UHFFFAOYSA-N 381.447 4.588 0 40 GJAB biogenic COc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4C)nc32)c1 21801268 JSTUOLNQKFMZEZ-UHFFFAOYSA-N 383.455 4.669 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)c1cnc2c(cnn2Cc2ccccc2)c1 22458210 OWKSLZCVDAVMOE-UHFFFAOYSA-N 380.810 4.524 0 40 GJAB CC(=O)c1cccc(NC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)c1 27922149 VFAUYYUYFGYEPT-UHFFFAOYSA-N 376.460 4.703 0 40 GJAB COc1cccc(-c2nc(C(=O)Nc3cccc4ncccc34)cs2)c1OC 29554673 XSZPUMGEALNPBT-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3Cl)c2)o1 29884913 KKQHUMVPIQXLHI-KSSFIOAISA-N 383.879 4.573 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c(Cl)c1 30849239 RYWIBDWWGHVDJQ-HNNXBMFYSA-N 389.879 4.848 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1ccnc1 30872142 BDGLBRMCLHYCTJ-IBGZPJMESA-N 385.920 4.713 0 40 GJAB CC1=C[C@@H](CNC(=O)CC(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 30880211 SKZMNBDUGFDSBL-ZJOUEHCJSA-N 390.612 4.842 0 40 GJAB biogenic,in-vitro CCCCN(C(=O)c1cccc(Cl)c1)c1nc(C)c(C(=O)OCC)s1 36612165 AAFJCRSZWWAANI-UHFFFAOYSA-N 380.897 4.729 0 40 GJAB CCCn1nc(C)c2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc(C)nc21 36616900 GAKUQDGDULHZIN-UHFFFAOYSA-N 390.531 4.553 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 44901891 IKJJZYWAQWCXLI-IFXJQAMLSA-N 388.895 4.664 0 40 GJAB CC1CCN(Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)CC1 44906294 UZJNXBKUKHHABL-UHFFFAOYSA-N 384.951 4.935 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(-n2ccnc2C)cc1 44947419 OSIVYJVZMJINHT-XMMPIXPASA-N 399.494 4.808 0 40 GJAB COc1ccc(CN2C[C@@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 57731826 MJHIRDUYWMUNHY-WWPVKYPJSA-N 382.935 4.760 0 40 GJAB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1c(Cl)nc2ccccn12 62286595 JGBURJDOUYMIOW-UHFFFAOYSA-N 383.757 4.658 0 40 GJAB CC1CCN(C(=O)c2ccc(NC(=O)c3cnc(C(C)(C)C)s3)cc2)CC1 67495699 KQSRNAZWNROPPF-UHFFFAOYSA-N 385.533 4.565 0 40 GJAB CC(=O)N1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 72215855 DVXCSOLCQYONIL-LJQANCHMSA-N 381.476 4.838 0 40 GJAB CC(C)=CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 72302711 NWWSTOBPORBPLO-SFHVURJKSA-N 386.495 4.913 0 40 GJAB O=C(c1ccccn1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349232 GDFWXYWAXPGNHM-QGZVFWFLSA-N 377.875 4.817 0 40 GJAB COc1cccc(NC(=O)N(CCc2cccs2)Cc2ccco2)c1OC 77184038 MFYWGFSQPBXPDC-UHFFFAOYSA-N 386.473 4.635 0 40 GJAB CC(C)(C)OC(=O)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 89694290 QIBVBUMQICZQAA-INIZCTEOSA-N 394.393 4.910 0 40 GJAB O=C(NCCc1ccc2ccccc2n1)c1c[nH]cc1-c1ccc(Cl)s1 89873147 WKLNEKBUQCHREY-UHFFFAOYSA-N 381.888 4.917 0 40 GJAB O=C(c1cc2c(c3ccccc13)N[C@H]1CC[C@@]2(C(F)(F)F)O1)C(F)(F)F 100478857 SCSRDRBCRJULEL-IUODEOHRSA-N 375.268 4.904 0 40 GJAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1O 106701578 CXXREDOYLBYTER-SXGWCWSVSA-N 389.860 4.599 0 40 GJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 210807318 VABWNJXPJYJFBL-CAOIWOLBSA-N 392.480 4.616 0 40 GJAB CCCCCCNS(=O)(=O)c1cc2c(C)cc(Cl)nc2cc1Cl 217434155 YLECXLYGFVQRGQ-UHFFFAOYSA-N 375.321 4.709 0 40 GJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 223026505 YNLHERZDXZJIMT-NRFANRHFSA-N 394.559 4.570 0 40 GJAB COc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223350887 VNSNWKYWFLTFHN-IRXDYDNUSA-N 385.504 4.780 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCCOc2ccccc2C(C)(C)C)c1 223734466 SIZUHEKUEQABCW-UHFFFAOYSA-N 383.532 4.990 0 40 GJAB Fc1cc(Br)ccc1NC(=S)N[C@H]1CCCc2ccccc21 225460623 AHQJQCHGLROKJC-HNNXBMFYSA-N 379.298 4.952 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCCC1 225708204 RWYKVQQOVFUCAZ-UHFFFAOYSA-N 383.916 4.822 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225842401 WJVRPLBZVKTMCT-ZHRRBRCNSA-N 393.524 4.965 0 40 GJAB COc1cccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)c1 408677685 QQHAADDHMOVJST-UHFFFAOYSA-N 384.435 4.745 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(Cl)cc1OC 408901672 HCAANBWSXXIFDN-LICLKQGHSA-N 389.860 4.988 0 40 GJAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 409027389 BUWFMWMFXQZXCY-MRXNPFEDSA-N 382.529 4.868 0 40 GJAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409064309 CNKNYYKAGYFZNI-CPNJWEJPSA-N 377.831 4.536 0 40 GJAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)c1 409319417 FVSUTUCJNBDSOG-AVSIYSEJSA-N 392.480 4.535 0 40 GJAB CC(C)(c1ccc(NC(=O)N2CCC(c3ccon3)CC2)cc1)C(F)(F)F 585101393 GSTWMVNFVXTDTP-UHFFFAOYSA-N 381.398 4.926 0 40 GJAB CCSc1ccccc1C(=O)NC[C@@H](c1ccsc1)n1nc(C)cc1C 618256105 NHAADGLGHDHYDH-SFHVURJKSA-N 385.558 4.693 0 40 GJAB COc1cccc(CN2CCC(c3cccc(Nc4nccs4)n3)CC2)c1 2037834746 KCJVJFQMAKHMGY-UHFFFAOYSA-N 380.517 4.670 0 40 GJAB Cc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccccc3C)c2)c1 683230 LQBPEGWXWZMFQR-UHFFFAOYSA-N 379.847 4.856 0 40 GJAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nncs1 1018831 UWNVWYJZHOJCKF-UHFFFAOYSA-N 394.481 4.591 0 40 GJAB CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)[C@H]1CCCO1 1465701 JYBAFQBYMWTKEI-QGZVFWFLSA-N 387.501 4.833 0 40 GJAB O=C(Oc1ccc(Br)cc1)c1ccccc1C(=O)c1ccccc1 1646452 DNGHEXGQALUVGP-UHFFFAOYSA-N 381.225 4.899 0 40 GJAB CSc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1 2135956 OKZHMPGIUSTCFE-ABSORMQESA-N 378.541 4.744 0 40 GJAB biogenic Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(C)c(C(=O)O)c3)cc2)c1 3353668 ZHYCXEOAQWPSRY-UHFFFAOYSA-N 397.452 4.595 0 40 GJAB CC(C)(C)c1cc(NC(=O)c2cncc(Br)c2)n(-c2ccccc2)n1 3356527 VVVRKANKHHTYFC-UHFFFAOYSA-N 399.292 4.580 0 40 GJAB O=C(/C=C/c1ccccc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4077162 WXOAUPAKNYWNMT-IZZDOVSWSA-N 381.888 4.924 0 40 GJAB CCCCC(=O)NC(NC(=O)CCCC)c1ccc(OCc2ccccc2)cc1 4185765 LGFCUBBKOMPEDR-UHFFFAOYSA-N 396.531 4.877 0 40 GJAB CCO[C@](C(=O)OCCCN(CC)CC)(c1ccccc1)C1CCCCC1 4525321 PFWYTVBNXLFENG-HSZRJFAPSA-N 375.553 4.774 0 40 GJAB CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccc(C)cc1 4571509 SETXYRQKEFIYTR-XMMPIXPASA-N 393.531 4.654 0 40 GJAB Clc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)c2ccccc2n1 4687582 GFEPBUJALVOLDF-UHFFFAOYSA-N 375.259 4.517 0 40 GJAB Brc1ccc(-c2nnc(CSc3nc4ccccc4o3)o2)cc1 5033855 GYLGGBWERLCXRA-UHFFFAOYSA-N 388.246 4.933 0 40 GJAB CC(=O)c1cnn(-c2cc(Oc3ccccc3F)nc(-c3ccccc3)n2)c1C 5421304 WWIVGIBKHZYODM-UHFFFAOYSA-N 388.402 4.772 0 40 GJAB O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(OC(F)F)cc1)CCCC3 5491241 HDIBKZDTYLTUFK-UHFFFAOYSA-N 380.441 4.590 0 40 GJAB CCc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1ccc(F)cc1)=N2 6134959 RCFSRLCGZRDPIJ-UHFFFAOYSA-N 386.474 4.888 0 40 GJAB O=C(NC1CCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 6223116 FPUQIAIJDDTJHL-QHCPKHFHSA-N 394.540 4.523 0 40 GJAB CCCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(CC)cc1 6629005 NDOIIOJIZCQZSF-UHFFFAOYSA-N 394.544 4.505 0 40 GJAB Cc1cccc(Cc2cnc(N3C(=N)S[C@H](c4ccccc4)C3=O)s2)c1 6812543 XKRCEMUFQGJNOM-QGZVFWFLSA-N 379.510 4.798 0 40 GJAB aggregator Cc1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 6922844 QKQZEKKTBGAMSI-QDSKXPNFSA-N 379.500 4.592 0 40 GJAB biogenic COc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)c(OC)c1 8115621 WLSPZPWVIFWMRG-BIENJYKASA-N 385.847 4.882 0 40 GJAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)o1 8130150 JLOPEUNNFZVVTG-ZDUSSCGKSA-N 380.469 4.597 0 40 GJAB Cc1nc2cc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)ccc2o1 8264455 XXYQFDXZIJDVFT-QFIPXVFZSA-N 398.418 4.843 0 40 GJAB COc1cccc(-c2noc(COc3ccc(C(=O)c4ccccc4)cc3)n2)c1 9607895 VBSCFIDSWUATMV-UHFFFAOYSA-N 386.407 4.555 0 40 GJAB O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)Nc1ccccc1 9667364 YQCQVKBKDWGZCE-DEOSSOPVSA-N 395.462 4.742 0 40 GJAB COc1cc(CNC(=O)c2cccc(Cl)c2Cl)ccc1OC(F)F 10441112 SIHHXRNHTUDXII-UHFFFAOYSA-N 376.186 4.533 0 40 GJAB Cc1cc(C(=O)CCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(C)s1 11181290 JNIFYSBJMRCACX-UHFFFAOYSA-N 396.468 4.812 0 40 GJAB CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1O 11565865 WZQIDGNLJDORCO-UHFFFAOYSA-N 377.506 4.669 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)c(C)c1C 11613886 GGNKCMAMSIIJEN-UHFFFAOYSA-N 382.481 4.959 0 40 GJAB O=c1[nH]c2c(s1)[C@H](c1ccc(Br)cc1)[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11990742 SQFALPKIUAOVMZ-ZJMQZLNVSA-N 394.359 4.851 0 40 GJAB COc1ccc(-n2c(SCC(=O)N3CCCCCC3)nc3ccccc32)cc1 12538491 HNKZJHQHNVTUIR-UHFFFAOYSA-N 395.528 4.529 0 40 GJAB Cc1cc(OCC(=O)Nc2c(-c3ccccc3)nc3ccccn23)ccc1Cl 12566970 QVVUAYDBNQCZCQ-UHFFFAOYSA-N 391.858 4.981 0 40 GJAB Cn1c(SCc2cccc3ccccc23)nnc1[C@@H]1COc2ccccc2O1 12598747 UZBNMKQHMHMPDN-FQEVSTJZSA-N 389.480 4.773 0 40 GJAB CCc1noc(CSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)n1 12648122 NKAANFCMPLPTNI-UHFFFAOYSA-N 396.516 4.525 0 40 GJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N(C)Cc1nc2ccccc2s1 12943628 WSKPYSBGYVKCFN-NSHDSACASA-N 377.872 4.548 0 40 GJAB CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cccs3)C[C@@H]21 13036508 MIFOYGKZZZWSPE-LAUBAEHRSA-N 377.469 4.784 0 40 GJAB CN(C(=S)NC1CCCCC1)[C@]1(c2ccccc2Cl)CCCCC1=O 13865492 CBXZCXFSSRYOGA-FQEVSTJZSA-N 378.969 4.817 0 40 GJAB CC(=O)c1ccc(NCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 15288368 PZYNPIJHDBJNTN-QHCPKHFHSA-N 392.886 4.860 0 40 GJAB CCS(=O)(=O)N1CCc2cc(-c3nc4ccccc4c(C)c3Cl)ccc21 15453960 GMWPWSYRONQBSN-UHFFFAOYSA-N 386.904 4.576 0 40 GJAB CC(C)NCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 16441982 UKIVZGHNFZMZPM-UHFFFAOYSA-N 379.323 4.537 0 40 GJAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C)c4)nccn3n2)cc1 17051631 PRXUHZDWHLPDDE-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB COc1ccc2nc(CN(Cc3cccnc3)Cc3ccccc3F)ccc2c1 19563649 DUGGHUZKUBRHLM-UHFFFAOYSA-N 387.458 4.980 0 40 GJAB COc1cccc(CN2CCCC[C@H]2c2nnc(-c3ccsc3)o2)c1OC 19567898 BKMNOVUTMMDIQP-INIZCTEOSA-N 385.489 4.543 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1OC 20108527 SYERSCNBLQDYFS-AWEZNQCLSA-N 393.936 4.587 0 40 GJAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)cc1 22529585 SGAKDLLLDOXTLQ-ZDUSSCGKSA-N 384.328 4.810 0 40 GJAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cccc(NC(=O)c2cccs2)c1 24885983 HYCKYQHSCNSOPR-UHFFFAOYSA-N 388.452 4.643 0 40 GJAB O=C(Nc1ccccc1NC(=O)c1ccc(Br)cc1)c1ccccc1 25879668 UDLIOYBOKSMUFJ-UHFFFAOYSA-N 395.256 4.954 0 40 GJAB c1cnn(-c2ccc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)cc2)c1 27236705 GBQXUFZWQYWLTR-UHFFFAOYSA-N 375.472 4.546 0 40 GJAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 29169750 QBVXMZBWNDALAF-UHFFFAOYSA-N 398.462 4.827 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)C1 30751638 GPBUEPJJXPAMNC-SFHVURJKSA-N 384.951 4.935 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc1 30865744 MGYKZKMHENMCAC-ZDUSSCGKSA-N 381.950 4.738 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc4cc(F)ccc4[nH]3)n2)cc1 40058883 MJBZUZBOICGPKP-UHFFFAOYSA-N 394.431 4.641 0 40 GJAB CCN(CC)Cc1nc(NCCOc2ccccc2)c2c(C)c(C)sc2n1 41105112 NFMRIWOVQRIZMF-UHFFFAOYSA-N 384.549 4.641 0 40 GJAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)cn1 45668838 AXYVAFGPMOZODO-SNVBAGLBSA-N 377.828 4.648 0 40 GJAB O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(Cc2ccccc2)CC1 57139448 XXBBTSMGOPOYMB-UHFFFAOYSA-N 385.511 4.523 0 40 GJAB O=C(CCC1CCCCC1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 58196201 PTOSYEDJRPMWHS-SFHVURJKSA-N 385.483 4.942 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1 58482497 ZQBMEVXLMRTKKA-UHFFFAOYSA-N 396.494 4.613 0 40 GJAB O=C(Cc1cccc2cccnc12)N1CCC(Nc2ccccc2Cl)CC1 69460993 UOJIPVUTCLOGFE-UHFFFAOYSA-N 379.891 4.534 0 40 GJAB O=C(c1cc(-c2ccccc2)on1)N(CCc1cccs1)Cc1ccco1 77183944 ZQYYTMLDIHRBOI-UHFFFAOYSA-N 378.453 4.881 0 40 GJAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc2[nH]c3c(c2c1)CCCC3 95348471 CMRDZJHTVWWCNF-UHFFFAOYSA-N 379.847 4.705 0 40 GJAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1Cc1ccccc1 102179268 WBEWKDOIQHXKQA-ZJOUEHCJSA-N 377.484 4.585 0 40 GJAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(Cl)cc2Cl)C(=O)O1 103345166 YKTDXLDIRGWNIY-NSIKDUERSA-N 382.630 5.000 0 40 GJAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccc(F)cc1 207388003 DBJFUKOCFGZRRI-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB C[C@@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccc(F)cc1 219470348 FQJCOGDIAHWLPY-OAHLLOKOSA-N 376.431 4.597 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccccc2)no1 222940288 WGTXYOPSCRCJKQ-LJQANCHMSA-N 393.487 4.508 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 223261188 YORLMABBSDYDNV-QFIPXVFZSA-N 394.559 4.568 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 223269016 FZKHPYPZANLALE-UHFFFAOYSA-N 383.469 4.905 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)c1C 224400407 LOWUNYAIEHZJHR-QFIPXVFZSA-N 395.499 4.847 0 40 GJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224426213 XDBLVMSNPCTNPE-IBGZPJMESA-N 383.532 4.872 0 40 GJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(OC)c(C)c1 225190503 YQRJVDHPKXCZDD-VGOFRKELSA-N 381.516 4.917 0 40 GJAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)Cc1cccc(Cl)c1 225427134 DKVZYRXTVUYICX-UHFFFAOYSA-N 397.906 4.889 0 40 GJAB CCOc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1Cl 225791429 YXYPBPJMWDBVNP-UHFFFAOYSA-N 375.896 4.889 0 40 GJAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3Br)nc2c1 226270386 GGVMNBVNYATPNA-UHFFFAOYSA-N 399.166 4.782 0 40 GJAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N(Cc1cccc(F)c1)Cc1ccc2c(c1)OCO2 247798865 DUAGRDVDWHWIBB-NGRWLJPCSA-N 381.447 4.519 0 40 GJAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(F)c4)OCC[C@@]31C2 257249473 JINVFPKXFFTTBS-AVKNAIIRSA-N 377.475 4.619 0 40 GJAB Cc1cccnc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257330573 XOYMESREQPRTFY-SFHVURJKSA-N 381.863 4.600 0 40 GJAB CC(=O)N1CCCCCCN(C(=O)CCc2ccccc2)Cc2ccccc21 643588521 YIYPSGKIXNRUHK-UHFFFAOYSA-N 378.516 4.575 0 40 GJAB COc1ccc(NC(=O)c2sc3nc4c(C)ccc(C)c4cc3c2N)cc1 877008 XRTBPIWCBPGOGB-UHFFFAOYSA-N 377.469 4.909 0 40 GJAB Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3Br)sc2n1 888459 BVTZDQPWBFQIJB-UHFFFAOYSA-N 376.279 4.510 0 40 GJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n12 929689 LGLJCSNNPZIFIU-IAGOWNOFSA-N 396.560 4.689 0 40 GJAB Cc1sc2nc(C3CC3)nc(SCC(=O)N(C(C)C)C(C)C)c2c1C 1377423 UIBKSHLMYPZLEE-UHFFFAOYSA-N 377.579 4.923 0 40 GJAB COc1ccc(NC(=O)c2cc3ccccc3cc2OC(=O)NC(C)(C)C)cc1 1738207 BXLQSNMTUFPUIU-UHFFFAOYSA-N 392.455 4.988 0 40 GJAB CCCOc1ccc(-c2csc(NC(=O)COc3ccccc3C)n2)cc1 1916367 VNBRMEPKQBLGSZ-UHFFFAOYSA-N 382.485 4.925 0 40 GJAB Cc1cc(C)c(NC(=O)COC(=O)c2cccc3c2-c2ccccc2C3=O)c(C)c1 2700785 UKZJESRHNZKVFF-UHFFFAOYSA-N 399.446 4.619 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)/C=C/c1ccco1)CC2 3327139 MPKVZPMHOLHSSC-DORXLWPQSA-N 395.480 4.546 0 40 GJAB C[C@H]1CCCCN1C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 3400906 WYSHZIBJEHTXBM-NSHDSACASA-N 399.994 4.810 0 40 GJAB CC(=O)O[C@@H]1C=C2C=C[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 4074092 GVIBMJZVMHMBKI-CLZTWVGMSA-N 384.516 4.733 0 40 GJAB biogenic CCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1 4113402 ZLBZFHGPPJRYPV-UHFFFAOYSA-N 378.472 4.552 0 40 GJAB CSc1ccccc1-c1nnc(NC(=O)c2cccc(C(F)(F)F)c2)o1 4585559 CLNYFLHBOWIOJX-UHFFFAOYSA-N 379.363 4.730 0 40 GJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 4741915 SMKUUHPCDZRREQ-QFIPXVFZSA-N 396.450 4.670 0 40 GJAB Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 4775934 QZUCNMLYEMEATE-UHFFFAOYSA-N 389.842 4.658 0 40 GJAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C(C)C)CC2)cc1 4954412 IWEVFPSWGVPYDH-QFIPXVFZSA-N 375.516 4.739 0 40 GJAB Cn1c(/C=C2/SC(=O)N(c3ccc(F)c(Cl)c3)C2=O)nc2ccccc21 5236065 QBIXECANJRHCNZ-OQLLNIDSSA-N 387.823 4.607 0 40 GJAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1 5344186 VUHFEDUNPSHGPV-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB CC(=O)c1cccc(OCC(=O)Oc2ccc3cc(Br)ccc3c2)c1 5443306 UAJYLNYUIBMPPH-UHFFFAOYSA-N 399.240 4.789 0 40 GJAB C[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)C12CC3CC(CC(C3)C1)C2 6128207 HLJYOBVBFNEWPL-SIGOSDGXSA-N 388.511 4.521 0 40 GJAB Cc1cc(NC(=O)CSc2cccc(C(F)(F)F)c2)n(-c2ccccc2)n1 6786690 XDHANVHWPRINMI-UHFFFAOYSA-N 391.418 4.930 0 40 GJAB COc1ccccc1CN(Cc1cccs1)C(=O)c1cccc(NC(C)=O)c1 6851145 NWGFETBZTBZOHR-UHFFFAOYSA-N 394.496 4.558 0 40 GJAB C[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NCc1ccccc1 8705610 YBSFVVVCWVAKNU-WMZHIEFXSA-N 397.522 4.594 0 40 GJAB CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 9063442 VXSKXDVBBBBBLM-UHFFFAOYSA-N 386.923 4.978 0 40 GJAB Cc1cc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(C)n1C1CC1 11182040 WRCSUQQYPQOQGE-DHZHZOJOSA-N 389.455 4.937 0 40 GJAB Cc1occc1-c1nc(NCc2ccc(Cl)cc2)ncc1-c1cnccn1 12739546 QQVANYIYIQVIQN-UHFFFAOYSA-N 377.835 4.768 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 12755264 BSCQNDQLIOOBTJ-UHFFFAOYSA-N 384.451 4.978 0 40 GJAB CC(=O)c1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)cc1 12762902 QCIPVLHTCPZNEL-QHCPKHFHSA-N 390.508 4.537 0 40 GJAB O=S(=O)(c1ccccc1Cl)N1CCCC[C@H]1c1nc2ccccc2s1 12799164 MJAQQBQLRQYHFI-HNNXBMFYSA-N 392.933 4.866 0 40 GJAB COc1ccc(CCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 12855512 AOFMOBWRZHWBGM-HSZRJFAPSA-N 377.509 4.864 0 40 GJAB O=C1COc2ccc(C(=O)COc3ccc(-c4ccccc4)cc3Cl)cc2N1 16664953 VNZGCKUZKPAWBK-UHFFFAOYSA-N 393.826 4.600 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1ccccc1)CC2 18174526 XHLGTDJZWRQQEW-OAQYLSRUSA-N 394.496 4.945 0 40 GJAB Cc1cc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)c2cnn(C(C)C)c2n1 19569479 NMYPTXBPQQFKIT-HNNXBMFYSA-N 387.487 4.561 0 40 GJAB COc1ccccc1-c1cc(C(=O)Nc2cccc(CCc3ccncc3)c2)[nH]n1 19571550 KKFLTJONPBFMQG-UHFFFAOYSA-N 398.466 4.518 0 40 GJAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(Cc3ccccc3OC)CC2)C1 19712761 QUFLQNDGTFEPOM-UPVQGACJSA-N 394.559 4.560 0 40 GJAB FC(F)(F)c1cnc(N2CCc3nn(-c4ccccc4)cc3C2)c(Cl)c1 20218500 OCYCFODJJQRQTK-UHFFFAOYSA-N 378.785 4.502 0 40 GJAB COc1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1NC(C)=O 22975852 NXFLVVKPJVKXNL-UHFFFAOYSA-N 384.379 4.518 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccc(Cl)cc3)n2)cc1 23389653 YWAHGJPGVHDVLC-UHFFFAOYSA-N 383.879 4.762 0 40 GJAB Cc1nn2c(CNCCc3c[nH]c4ccccc34)c(-c3ccccc3)nc2s1 25182359 IXRIJPRNVPXQGW-UHFFFAOYSA-N 387.512 4.580 0 40 GJAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C)c1 29505789 ZMVCCKYEFXEDFO-UHFFFAOYSA-N 375.350 4.640 0 40 GJAB CCOc1c(Cl)cc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1OC 30886706 CAAMWOLBLYHZRJ-UHFFFAOYSA-N 389.757 4.898 0 40 GJAB COc1ccc2cc(CNC(=O)N3CC=C(c4ccc(O)cc4)CC3)ccc2c1 31037820 UNDIHVXQCLEJEF-UHFFFAOYSA-N 388.467 4.553 0 40 GJAB CCc1nc(Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cs1 31626580 HKMLIPRXXGVXSZ-UHFFFAOYSA-N 387.917 4.846 0 40 GJAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCOc2ccccc21 32624446 NQLRTRGKJAEDLM-UHFFFAOYSA-N 379.843 4.958 0 40 GJAB CCCCCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nc2ccccc21 32910717 NXTBIASGBMUSHW-UHFFFAOYSA-N 392.528 4.835 0 40 GJAB COc1ccc(-c2nc(NC(=O)COc3cc(C)cc(C)c3)sc2C)cc1 32981880 VRJAFHSKXLEMIF-UHFFFAOYSA-N 382.485 4.761 0 40 GJAB Cc1ccc(-c2csc(NC(=O)C3=NO[C@H](c4ccccc4)C3)n2)cc1C 40155148 LKTLCPDKCWYDII-IBGZPJMESA-N 377.469 4.883 0 40 GJAB Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccncc1 40900273 KUQAFPIBXZKZON-UHFFFAOYSA-N 399.372 4.913 0 40 GJAB COc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1Cl 58165446 RLMQKDXUHVOHKL-UHFFFAOYSA-N 380.875 4.666 0 40 GJAB CC(C)(C)c1cc(CCC(=O)N2CCCSCC2)cc(C(C)(C)C)c1O 60847486 IACMBVXGOCRMHA-UHFFFAOYSA-N 377.594 4.885 0 40 GJAB C[C@H]1CCCC[C@@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 71084647 YGBJSIBWMAKQPS-WNSKOXEYSA-N 379.456 4.559 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 72380255 JOKUDHFPGRDXCQ-MRXNPFEDSA-N 383.854 4.889 0 40 GJAB O=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1ccccc1Cl 96119632 GKLZYLOIOQFJNB-UHFFFAOYSA-N 390.830 4.628 0 40 GJAB CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)cc1 102584305 ZLZFSDZPYCQIJJ-KRWDZBQOSA-N 384.505 4.706 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)c(C)c1 219606828 UAZDOOWAHHWVQM-SFHVURJKSA-N 375.852 4.621 0 40 GJAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 222440629 ZOCXGEXSWNPXON-HSZRJFAPSA-N 394.559 4.568 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)[nH]1 224258228 QSTWWBXKZXKYAE-LEWJYISDSA-N 376.529 4.820 0 40 GJAB CCOc1ccccc1NC(=S)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 225685882 KEAQLVCIJSDIOB-KRWDZBQOSA-N 386.517 4.683 0 40 GJAB CCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1 408628203 QTRNOHJLBVFAHE-UHFFFAOYSA-N 397.500 4.820 0 40 GJAB O=C1CC[C@@H](c2cccc(NC(=O)N3CCC(c4cccc(Cl)c4)CC3)c2)N1 516166869 OSEHDWRLCHKYAG-FQEVSTJZSA-N 397.906 4.703 0 40 GJAB O=C(O)C1CCC(CC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)CC1 567051665 WZEHTCNLEQEUES-RKOYOZNISA-N 377.484 4.594 0 40 GJAB COc1ccc2cc(-c3oc4cc5c(cc4c3CC(=O)O)OCO5)ccc2c1 1547139030 ZARXDNZCCHSLLB-UHFFFAOYSA-N 376.364 4.617 0 40 GJAB biogenic CCOc1ccccc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615120040 JPWWSMACNRVKCJ-DEOSSOPVSA-N 396.506 4.888 0 40 GJAB CCn1nccc1[C@H]1OCC[C@@H]1c1nc(-c2cc3cc(Cl)cc(C)c3o2)no1 1615178331 XHIUCGIDNYPTRF-KSSFIOAISA-N 398.850 4.906 0 40 GJAB Cc1ccccc1NC(=O)COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 937229 GNDIRKHWNCKANB-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB CCc1ccc(Oc2coc3cc(O[C@H](C)C(=O)OC(C)C)ccc3c2=O)cc1 950705 XJSKXIARGJNNPM-OAHLLOKOSA-N 396.439 4.867 0 40 GJAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C(C)C)c1 2696974 AHYVEDAMMXLMFQ-IAGOWNOFSA-N 381.582 4.855 0 40 GJAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2c(F)cccc2Cl)N3)C1 4555322 ZWIVAIMMGCZQPT-MRXNPFEDSA-N 379.888 4.736 0 40 GJAB Cc1cc(C)cc(-c2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)o2)c1 5564917 OZGHIZPOHXDOAE-IBGZPJMESA-N 393.512 4.809 0 40 GJAB COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)cc1 5574789 KIXFIHREEQQNGS-QFIPXVFZSA-N 397.430 4.547 0 40 GJAB CCCCCn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc21 5978247 RPVUYNMAQNYCRR-UHFFFAOYSA-N 379.529 4.908 0 40 GJAB CCCC(=O)Nc1ccc(C(=O)COc2ccc(Cl)c3cccnc23)cc1 6646764 LVGCZXNBQDCOHS-UHFFFAOYSA-N 382.847 4.889 0 40 GJAB CCCCN1C(=O)S[C@H](Cc2ccc(OCc3ccccc3)c(OC)c2)C1=O 6647718 VWUGQZVMDZXLQD-HXUWFJFHSA-N 399.512 4.681 0 40 GJAB CCCCOc1ccc2ccccc2c1/C=C(\Sc1nnc(C)[nH]1)C(=O)O 6651793 PZOHLXCQUPVIAT-PDGQHHTCSA-N 383.473 4.663 0 40 GJAB Cc1cccc(-c2nnc(CSc3nc(C4CC4)n(-c4ccccc4)n3)o2)c1 7692128 WAFZGALTABDWDO-UHFFFAOYSA-N 389.484 4.795 0 40 GJAB CCc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)C(C(=O)OC)=C2C)cc1 8085641 LLEZYGJAOOLGNJ-UYRXBGFRSA-N 381.859 4.780 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)NCCCn1ccc2ccccc21 8156668 UUXUPINASIBOKI-UHFFFAOYSA-N 381.526 4.955 0 40 GJAB COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc2c1 9347921 UEMQIXBNUKRFET-UHFFFAOYSA-N 392.238 4.598 0 40 GJAB Cc1cccc2sc(N(Cc3ccco3)C(=O)COc3ccccc3)nc12 10527922 SRZIXBSQVNPGMQ-UHFFFAOYSA-N 378.453 4.810 0 40 GJAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cccc(Cl)c1 10970321 HRZBAJIJPOVVER-UHFFFAOYSA-N 399.903 4.552 0 40 GJAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ncoc1-c1ccc(F)cc1 12115097 WWFFAPMYXSWHRI-UHFFFAOYSA-N 393.399 4.749 0 40 GJAB CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(CC(=O)O)c3n2)s1 12395272 OBCYPYNGIWRUEL-UHFFFAOYSA-N 395.406 4.703 0 40 GJAB Cc1ccc(-c2nc(CC(=O)N(Cc3ccc(F)cc3)C3CC3)cs2)cc1 12599079 WCLYKRBIUOBMRW-UHFFFAOYSA-N 380.488 4.991 0 40 GJAB O=C(NC1CC1)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 12756889 IOAUUDIZKZBECU-UHFFFAOYSA-N 397.434 4.639 0 40 GJAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 12985519 XZZYNVBWGADXQB-CYBMUJFWSA-N 397.500 4.578 0 40 GJAB Cc1ccc(-n2nc(C)c3c2N=C(O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 13127206 OOFJLPXTMMWITI-HXUWFJFHSA-N 393.468 4.642 0 40 GJAB aggregator C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 13685383 VOVPGENTPMXACQ-INIZCTEOSA-N 390.483 4.774 0 40 GJAB Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccnc2)c1 13685948 MCPXQEBHIUTAMG-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)ccc21 14074910 LPZWIEZZDOUSEX-RTFZILSDSA-N 389.495 4.936 0 40 GJAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1COc2ccccc2O1 14413445 HWTSWQGFSBZGLS-FQEVSTJZSA-N 381.815 4.911 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1Br 16027467 QUTZOHFUAAODAP-SNVBAGLBSA-N 399.082 4.618 0 40 GJAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)C2CCCC2)n1 19694450 KCSUBUVYVCMDEX-HXUWFJFHSA-N 396.510 4.593 0 40 GJAB COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 20150971 VUSLQGKEIYYECV-DHZHZOJOSA-N 397.814 4.959 0 40 GJAB COc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)cc1Cl 21596056 HLVLFOYNYBFJOW-UHFFFAOYSA-N 384.819 4.755 0 40 GJAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccccc1F 22072636 CMAMOVVFOZZREG-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB CC(=O)NCCc1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc1 30316725 VJHQWZZSBGSWEB-ZDUSSCGKSA-N 393.314 4.505 0 40 GJAB COc1ccc(-c2nc(CSCC(=O)N3c4ccccc4C[C@@H]3C)co2)cc1 31424429 CDSVYPOXAKKNBJ-HNNXBMFYSA-N 394.496 4.561 0 40 GJAB CC(C)c1nnc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)s1 32833422 ZRVUPJCSTTWMJJ-UHFFFAOYSA-N 392.937 4.543 0 40 GJAB Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2ccco2)o1 32925237 HYTAFASUWIVJBO-MRXNPFEDSA-N 399.244 4.935 0 40 GJAB COc1ccc2ccc(OCC(=O)Nc3ccc(N4CCCCC4)cc3)cc2c1 39964464 NONHJSQMWQIOIA-UHFFFAOYSA-N 390.483 4.856 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 39995533 NVIAEQQCQWFCFY-ZDUSSCGKSA-N 381.442 4.595 0 40 GJAB Cc1cc2ncn(CCCC(=O)Nc3ccc(N4CCCC4)cc3C)c2cc1C 40135229 CGONTBLSNDLBDL-UHFFFAOYSA-N 390.531 4.981 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)c1 45630110 MQZUJSJBTNRMKF-UHFFFAOYSA-N 385.529 4.645 0 40 GJAB O=C(NC1CCN(c2ccc(F)cc2)CC1)c1cc(-c2ccccc2Cl)on1 54199521 AACKRYRXSVCEMD-UHFFFAOYSA-N 399.853 4.533 0 40 GJAB CC(C)N1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 57801408 SXZGIFXTRUKJNQ-UHFFFAOYSA-N 385.558 4.627 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1ccn(-c3cccc(Cl)c3)n1)O[C@@H](C)C2 59851207 LFOBBDUYSZCKTE-ZDUSSCGKSA-N 397.862 4.500 0 40 GJAB O=C(CCCc1ccccc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635409 HHJVELOXHFYQOS-IBGZPJMESA-N 377.406 4.628 0 40 GJAB O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H](c1ccccc1)n1cccn1 71831235 JQTARSLFMXMFNQ-INIZCTEOSA-N 395.677 4.576 0 40 GJAB COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3ccccc3)n2)c1 72357747 LZSRHNLTBIKPSN-XMMPIXPASA-N 386.495 4.587 0 40 GJAB CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C1CCN(Cc2ccccc2)CC1 78877879 KVYVOLMPYVHFMZ-XMMPIXPASA-N 378.560 4.687 0 40 GJAB Cc1noc(C)c1/C=C1/SC(=O)N=C1Nc1ccc(OC(F)(F)F)cc1 80331266 LPSJZXPWFCQUMB-NTUHNPAUSA-N 383.351 4.908 0 40 GJAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSCc1cccc2ccccc12 84685817 MPORVXBNBCGLBU-MRXNPFEDSA-N 390.508 4.837 0 40 GJAB O=C(Nc1ccccc1N1CCCC1=O)c1csc(-c2cccc(Cl)c2)n1 89814319 BPNCKXPWHFIGNF-UHFFFAOYSA-N 397.887 4.843 0 40 GJAB C[C@H](Nc1c(C(=O)N2CCOCC2)cnc2ccc(Cl)cc12)c1ccccc1 95471169 LGGVBDKGKNMYMT-HNNXBMFYSA-N 395.890 4.534 0 40 GJAB CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1ccc(-c2ccccc2)cc1 97050457 PEIMGURLPJWAFF-UHFFFAOYSA-N 385.872 4.663 0 40 GJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1OC 169682508 DRMWSOVOERZZOW-UPZARLHUSA-N 379.456 4.699 0 40 GJAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COCc1ccccc1 224457796 RBBDAKHJWPXPFD-UHFFFAOYSA-N 395.886 4.995 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(C)c(C)c1 224461269 LXLDHZINGQDWLZ-HSZRJFAPSA-N 377.484 4.809 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1OCC 224571169 LNCYCLUTJONHPD-SFHVURJKSA-N 399.531 5.000 0 40 GJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccccc1 225196245 YIASIDQEGCQLGS-NCJDQSJGSA-N 388.467 4.626 0 40 GJAB Fc1cccc(Cl)c1CSCCNC(=S)Nc1c(F)cccc1F 225368624 KLCGLIFSBMZIFY-UHFFFAOYSA-N 390.883 4.977 0 40 GJAB CCN(C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1)C1CCC1 524102181 KDTVNFGBOFYJNC-UHFFFAOYSA-N 375.472 4.563 0 40 GJAB Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H](C)c3cc4cnccc4o3)c2)n1 1666040784 CPUPBWBMQWVVBM-HNNXBMFYSA-N 375.432 4.513 0 40 GJAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)CC(C)C)cc3)nc2c1 724402 CQOUGTULGPXHKU-UHFFFAOYSA-N 381.501 4.971 0 40 GJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1OC 855013 RNJXOTVZQLOACR-UHFFFAOYSA-N 381.453 4.853 0 40 GJAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC1CCCC1 900945 GDXXHIAJFHVKFM-GFCCVEGCSA-N 395.450 4.702 0 40 GJAB COC(CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)OC 1454784 NUYJUMUUTWFGSQ-UHFFFAOYSA-N 388.471 4.508 0 40 GJAB Cc1ccc(C)c(CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)c1 2719966 QPXGHIJVQNBUCY-UHFFFAOYSA-N 398.528 4.929 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCCC(C)C)cc1OC 3243274 ORSXRAKPTAFRTQ-UHFFFAOYSA-N 394.471 4.759 0 40 GJAB O=C(COc1ncnc2ccccc12)Nc1ccccc1Sc1ccccc1 3350810 FESSMILUXVERKY-UHFFFAOYSA-N 387.464 4.799 0 40 GJAB CCOc1ccc(CC(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1 4375167 FPHMXCVQEGDUSH-UHFFFAOYSA-N 398.503 4.558 0 40 GJAB COc1ccccc1OCCCn1cc(C(=O)C(F)(F)F)c2ccccc21 4535324 KWKVFSCXEMZKSO-UHFFFAOYSA-N 377.362 4.864 0 40 GJAB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3Cl)=NN12 5093116 RJYRKOXQOXBLNU-HXUWFJFHSA-N 381.907 4.696 0 40 GJAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc(Cl)c3Cl)NC(=O)CN21 5342566 IGNCSMAUGMLLMP-LCCNJJIFSA-N 387.310 4.939 0 40 GJAB COc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1Cl 5584289 BEVAGRAISVKHNT-UHFFFAOYSA-N 395.933 4.845 0 40 GJAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1cc2ccccc2o1 6128917 FEGWUPLEFDEMFO-UHFFFAOYSA-N 375.453 4.866 0 40 GJAB CCOC(=O)c1sc(N2N=C(c3cccs3)C[C@H]2c2ccco2)nc1C 6206661 IOGFKAGKXYRRPW-ZDUSSCGKSA-N 387.486 4.638 0 40 GJAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1 6356084 ZBQFASARDNSNMZ-XMOVILSBSA-N 384.277 4.555 0 40 GJAB COc1cc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc(OC)c1OC 6539731 GHSJTEXJKSCMKJ-SFHVURJKSA-N 377.868 4.744 0 40 GJAB CCCn1c(C)cc(-c2csc(NC(=O)Cc3ccc(OC)cc3)n2)c1C 6945227 WZHKADIIUATKCT-UHFFFAOYSA-N 383.517 4.828 0 40 GJAB COC(=O)c1c(CSc2ncnc3ccccc23)nc2ccccc2c1C 6991397 ZUMPNZCZMOWEBS-UHFFFAOYSA-N 375.453 4.565 0 40 GJAB COCc1c(C(=O)Nc2ncc(Cc3ccccc3)s2)oc2ccccc12 7797748 DAIOALMJTPYDJF-UHFFFAOYSA-N 378.453 4.879 0 40 GJAB CCc1nnc(NC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)s1 8157149 UMGWNXRDIZXGOC-UHFFFAOYSA-N 390.468 4.983 0 40 GJAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1F 8308577 IHDDGKSNSBCYHX-KRWDZBQOSA-N 392.474 4.960 0 40 GJAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N4CCc5ccccc54)sc32)cc1 8339060 RHFSHRFJNKHHOC-UHFFFAOYSA-N 387.508 4.966 0 40 GJAB CC(C)Oc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 8569154 BJWJRMTXELXSLV-UHFFFAOYSA-N 398.684 4.907 0 40 GJAB CCC[C@H](C)NC(=O)C(=O)c1c(-c2ccc(OC)c(Cl)c2)cc2ccccn12 10119258 GYCYKUOLWOZWEQ-AWEZNQCLSA-N 398.890 4.756 0 40 GJAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 10334147 VNPGNBCUXOTJQJ-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cs1 12219601 FNXUMHXUFZOJTP-UHFFFAOYSA-N 395.459 4.501 0 40 GJAB Cc1ccc(-c2csc(=S)n2CC(=O)Nc2nnc(C3CC3)s2)cc1 12739989 XKVNKODHNBWIJR-UHFFFAOYSA-N 388.543 4.622 0 40 GJAB O=C(Nc1cc(C(=O)N2CCc3ccccc3C2)ccc1Cl)c1cccs1 12918323 ZRBDDKKTMCANNR-UHFFFAOYSA-N 396.899 4.852 0 40 GJAB COc1cc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc(OC)c1 12999662 JFVXQNXLGJJKPZ-UHFFFAOYSA-N 398.484 4.608 0 40 GJAB C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)C[C@H](C)O1 13005907 XXAFUAXNXKDWHT-STQMWFEESA-N 386.904 4.866 0 40 GJAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1cc(Cl)sc1Cl 14229857 GOZLDECKLQIQMM-UHFFFAOYSA-N 388.700 4.668 0 40 GJAB c1ccc(Cc2ccc([C@H]3CN(Cc4ccc5ncccc5c4)CCO3)nc2)cc1 19692360 URSGYRZSJGESPJ-AREMUKBSSA-N 395.506 4.794 0 40 GJAB O=C1CCC[C@@H]2[C@H](C[C@H](c3ccccc3)N2Cc2cccc(Cl)c2Cl)N1 19713945 KGKZBSKAOHTOEP-IPMKNSEASA-N 389.326 4.978 0 40 GJAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)c(C)c3)nnc2c1-c1ccccc1 20633814 XFZOQGVEGAYPMZ-UHFFFAOYSA-N 385.471 4.531 0 40 GJAB COc1ccc(-c2cnc3c(-c4ccc(Cl)cc4)c(C)nn3c2N)cc1OC 21364834 MJRRVLNFMDNPFH-UHFFFAOYSA-N 394.862 4.625 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 24707566 IKUVXBZWHXDYOJ-KBPBESRZSA-N 390.936 4.988 0 40 GJAB C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1cccc2ncccc12 31689206 PGAXYCBMACRIPP-LLVKDONJSA-N 389.224 4.542 0 40 GJAB COc1ccc2cc(CN(C)[C@H](C)C(=O)N[C@H](C)c3ccccc3)ccc2c1 35268848 CIDOGYBHEOKVBE-QZTJIDSGSA-N 376.500 4.546 0 40 GJAB O=c1cc(CSc2cc(C(F)(F)F)nc3ccccc23)nc2sccn12 36394371 ISBDZJDBPXKMPI-UHFFFAOYSA-N 393.415 4.615 0 40 GJAB COc1c(S(=O)(=O)Nc2cccc3ccccc23)ccc(Cl)c1Cl 36636289 RJZJHUOBDRLGQM-UHFFFAOYSA-N 382.268 4.956 0 40 GJAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(Cc2ccc(Cl)cc2)CC1 39766856 NHDARUAJECLAQO-UHFFFAOYSA-N 386.967 4.637 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 44883345 NNSAXBTUKRRFRE-INIZCTEOSA-N 382.243 4.576 0 40 GJAB COc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1Cl 51364574 RLQUEMLASNUNPC-INIZCTEOSA-N 394.858 4.507 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)cc1C 59176079 LPBGJHKSLZSOIJ-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB C[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 67646839 ATLYSKPQAWLYGH-AWEZNQCLSA-N 397.475 4.903 0 40 GJAB O=C(Nc1ccc(CN(C(=O)c2ccco2)c2ccccc2)cc1)c1ccco1 72307975 QJOPHUUYOBSFOU-UHFFFAOYSA-N 386.407 4.972 0 40 GJAB CN(C)c1cccc(C(=O)N2CCC[C@@H](c3cccc(-c4ccccc4)n3)C2)c1 72361038 QAMUXFMRNCHEHX-OAQYLSRUSA-N 385.511 4.834 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)N3C[C@@H]4CCCC[C@]43c3ccccc3)c12 84066712 RVRJGGSDHCZEAE-UUOWRZLLSA-N 387.483 4.950 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3cnc(-c4ncccn4)s3)sc2C)s1 95947729 CCWAUTZYZSQIEV-UHFFFAOYSA-N 399.526 4.654 0 40 GJAB Fc1cccc(-c2ccc3nc(C4CCN(Cc5ccco5)CC4)nn3c2)c1 96038193 NHXZXOBFKXVGIA-UHFFFAOYSA-N 376.435 4.508 0 40 GJAB COc1ccc([C@@H]2CC(=O)CC(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 100917851 APLRHUIRZISVRH-WMLDXEAASA-N 397.780 4.562 0 40 GJAB CC1(C)C[C@@H](c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)CCO1 107837690 RQASLEYVIVECDN-VIFPVBQESA-N 383.304 4.832 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)cc1 218928283 VFGXNDUZTMPUFK-UHFFFAOYSA-N 377.937 4.925 0 40 GJAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 222755923 GDWOWOQKGGKPAE-FGZHOGPDSA-N 384.508 4.628 0 40 GJAB C[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)CCCC2 222976025 PYCFOKWBFIIEFA-SFHVURJKSA-N 394.534 4.794 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225622960 JJYISHUFBGRJHJ-XXBNENTESA-N 390.568 4.721 0 40 GJAB C[C@H]1CCCN(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 225736322 KQUKAWOPFJHELV-LBPRGKRZSA-N 393.906 4.767 0 40 GJAB Cc1cc(C)nc(Nc2ccccc2C(=O)NCc2cccc3ccccc23)n1 225916036 LLZSMYSJTPCQSQ-UHFFFAOYSA-N 382.467 4.920 0 40 GJAB CCOC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(OC)c1 226326240 QWSNCBDVDSKYGU-UHFFFAOYSA-N 399.668 4.867 0 40 GJAB COC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 226334534 GXJHEYCRLDABTQ-WEVVVXLNSA-N 381.653 4.868 0 40 GJAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(Cl)c(Cl)c1 227146790 MFBAUSXMJXQMQR-UHFFFAOYSA-N 390.064 4.599 0 40 GJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C 408624697 RDXUXHFDCKBVRY-UHFFFAOYSA-N 396.468 4.547 0 40 GJAB CCCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(CC)ccc3o2)c1 408628894 XRRHZYMJEGZROI-UHFFFAOYSA-N 397.500 4.766 0 40 GJAB Oc1cc(-c2nc(C3(c4c(F)cccc4F)CCCC3)no2)cc(C2CC2)n1 571922738 BTXLVCYTQGFTMT-UHFFFAOYSA-N 383.398 4.853 0 40 GJAB CC[C@H](NC(=O)Nc1nc(Cc2ccc(F)cc2)no1)c1cccc(Cl)c1 1670489594 BYZYAECHOMIBCK-INIZCTEOSA-N 388.830 4.726 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H]1CCc1cccc(-c2cnc3ccccn23)n1 2037838521 LLLATPIGHGBYRS-SFHVURJKSA-N 392.503 4.728 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc1 997089 ISZNJNPKBIUFDY-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB Clc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1 2195699 PKZVRLOJPOMAAJ-UHFFFAOYSA-N 382.876 4.927 0 40 GJAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1ccc(F)cc1 2397271 WTGYYZUIMPSUKK-UHFFFAOYSA-N 394.833 4.935 0 40 GJAB CC(C)(C)c1ccc(-c2nc3c4cnn(-c5ccc(F)cc5)c4ncn3n2)cc1 2410469 DDZJKKBRWMYNAG-UHFFFAOYSA-N 386.434 4.567 0 40 GJAB CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc2cc(OC)ccc2c1 3178190 QDRQXBHEWHGCIH-UHFFFAOYSA-N 383.469 4.901 0 40 GJAB COc1cc2c(cc1NC(=O)COc1ncnc3ccccc13)oc1ccccc12 3255029 RRIOTPOWUROJQR-UHFFFAOYSA-N 399.406 4.555 0 40 GJAB CSc1ccc(CN(C)CC(=O)Nc2ccc(C)cc2Br)cc1 3587109 NKDCBKKWDZRZQK-UHFFFAOYSA-N 393.350 4.550 0 40 GJAB C[C@H]1CCCN(C(=O)Nc2cccc(NC(=O)N3CCC[C@@H](C)[C@@H]3C)c2)[C@H]1C 4399812 SMTHNRGBDWWTEJ-MHORFTMASA-N 386.540 4.991 0 40 GJAB CC1=C(C)C[C@@H](C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)[C@@H](C(=O)O)C1 4651454 DKBMKSLNFMHPCW-CABCVRRESA-N 390.892 4.849 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C(C)(C)C)cc2)C1 4703082 DHQVSDMXAVUVRS-HNNXBMFYSA-N 384.907 4.938 0 40 GJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1 4949611 PCJNSRPESZRNQQ-QFIPXVFZSA-N 383.451 4.620 0 40 GJAB N=C1S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 5176127 XHWYSFAENWTFOE-CQSZACIVSA-N 395.709 4.728 0 40 GJAB O=c1c2c(nc3n1CCCS3)c1ccccc1n2Cc1ccccc1Cl 5452068 OMUIQMXCOGLHHM-UHFFFAOYSA-N 381.888 4.549 0 40 GJAB CCOCCCn1c(=S)[nH]c2scc(-c3ccccc3Cl)c2c1=O 5929627 TZWWTLYCUDJEIJ-UHFFFAOYSA-N 380.922 4.868 0 40 GJAB COc1ccc(CNC2=NN=C(c3ccc(Cl)c(Cl)c3)CS2)cc1 6084717 DOGKPVMBRRZVIO-UHFFFAOYSA-N 380.300 4.599 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 6248373 WKEIUSUGCVYODT-IRXDYDNUSA-N 392.474 4.801 0 40 GJAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1Cl 6821496 HYBRNGGDVNTEOD-AWEZNQCLSA-N 396.965 4.763 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Nc3nc4ccc(C)cc4s3)no2)cc1 7616102 OQFASELVFMPTPC-UHFFFAOYSA-N 379.441 4.911 0 40 GJAB c1ccc(-c2cnc(CSc3ncnc4c3cnn4-c3ccccc3)o2)cc1 7777926 PANLFRTZOIXXJT-UHFFFAOYSA-N 385.452 4.763 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c(C)c1 8040695 XAXTZNNLVUGBLI-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB O=C(CN(C1=NCCCCC1)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 8418638 SBEZGHBCBXRUNW-UHFFFAOYSA-N 384.863 4.731 0 40 GJAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCC[C@H]3c3ccccc3)c2C)no1 9958312 OYFFJEUESQUULI-VIOKTNGOSA-N 375.472 4.767 0 40 GJAB CCCn1c(S[C@@H](C)C(=O)NC(C)(C)C)nc2ccc(C(F)(F)F)cc21 11021886 BDJYWCOMKVHTMU-NSHDSACASA-N 387.471 4.860 0 40 GJAB COc1ccc(-c2cn3c(C(=O)Nc4ccc(C(C)=O)cc4)csc3n2)cc1 11902793 OZGYLVDIAWCSRJ-UHFFFAOYSA-N 391.452 4.526 0 40 GJAB CCCOc1cc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)nc(C)n1 12225593 ORKLVPPFEPXBHB-UHFFFAOYSA-N 390.487 4.889 0 40 GJAB Cn1ccnc1[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 12580052 MJXQTHLMHYAOHL-MRXNPFEDSA-N 375.259 4.638 0 40 GJAB O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(C(=O)c2ccccc2)cc1 12896104 WZCFPTHTEHEFLG-UHFFFAOYSA-N 379.799 4.552 0 40 GJAB COc1ccc(C2=NN=C(Nc3ccc(Cl)c(Cl)c3)SC2)cc1OC 13063386 JJTSJVYHKSVXLT-UHFFFAOYSA-N 396.299 4.930 0 40 GJAB C[C@@H](Cc1ccc2c(c1)OCO2)CN(Cc1cccnc1)Cc1ccccc1F 13569004 BKXWAKHJJCJBIH-SFHVURJKSA-N 392.474 4.830 0 40 GJAB CC(C)CCOc1cccc(-c2nc3c4c5c(sc4nc(O)n3n2)CCC5)c1 13718887 RCIVUKMDTOWMKI-UHFFFAOYSA-N 394.500 4.625 0 40 GJAB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(F)cc1 14493900 IIUMTIWILZIBSM-SFQUDFHCSA-N 377.394 4.918 0 40 GJAB CC(C)c1csc(NC(=O)CC2CCN(C(=O)CC3CCCCC3)CC2)n1 19748830 XHTYJWMBHUBUEL-UHFFFAOYSA-N 391.581 4.804 0 40 GJAB O=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 20479017 DHUWBDIULUVTGW-UHFFFAOYSA-N 386.201 4.660 0 40 GJAB Cc1ccc(N2C(=O)N(Cc3cc4ccccc4nc3Cl)C(=O)[C@H]2C)cc1 21235875 DKDADIZBFXVFGU-CQSZACIVSA-N 379.847 4.554 0 40 GJAB O=C(Nc1ccccc1)[C@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1 22614620 CFHVZWUREHFPSA-MRXNPFEDSA-N 389.402 4.968 0 40 GJAB O=C(NCCc1cccs1)C1(c2ccc(Br)cc2)CCCC1 25842683 KNCTVNITQLDLFY-UHFFFAOYSA-N 378.335 4.681 0 40 GJAB COc1ccc(-c2cc(C(=O)N(Cc3ccccc3)c3ccccn3)no2)cc1 28251679 HUVMJZRUTAUTQG-UHFFFAOYSA-N 385.423 4.592 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 30850715 FGCKNNNGFULVSJ-FCEWJHQRSA-N 383.001 4.695 0 40 GJAB COc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c2cccnc12 32593295 TWTFVGPNOYNCTP-UHFFFAOYSA-N 377.227 4.568 0 40 GJAB CCCCCNC(=O)C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 32706704 FHIXJRQFFIYETR-UHFFFAOYSA-N 394.515 4.638 0 40 GJAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C/c1ccccc1Br 40106914 OUHFIJCVOFTOES-PKNBQFBNSA-N 399.288 4.758 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(-c3nnco3)c2)cc1 44086327 NQPARTJARSWKCX-HXUWFJFHSA-N 392.459 4.894 0 40 GJAB CCc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc23)cc1 44169664 ZJKRLOJKLABGRQ-UHFFFAOYSA-N 377.513 4.730 0 40 GJAB CCCCN(C)C(=O)C1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 48235231 UDDKKSHKWPVDEJ-CMDGGOBGSA-N 397.346 4.504 0 40 GJAB CC(=O)N(C)c1ccc(NC(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1 58427049 LKEAUIKXXMNQEI-UHFFFAOYSA-N 379.485 4.662 0 40 GJAB CCc1sc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1C 60065048 XWQJGHVXHZPFHU-OAHLLOKOSA-N 394.334 4.595 0 40 GJAB C[C@H]1CN(c2ccc(NC(=O)Nc3cccc4cccnc34)cc2F)C[C@@H](C)O1 71831262 YMVHVBHKOXGHPL-GASCZTMLSA-N 394.450 4.632 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72214355 UUQGTDPIIOIYCL-GOSISDBHSA-N 381.476 4.796 0 40 GJAB CC(C)CC(=O)N[C@@H](c1nccs1)C1CCC(CNC2CCCC2)CC1 72373165 NTDJMDPYDFRBKN-LBXVMSDZSA-N 377.598 4.685 0 40 GJAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1cccc2cnccc12 79046075 JVXCUWRIIVUXPU-JPYJTQIMSA-N 388.515 4.609 0 40 GJAB Cc1sc2nc(-c3ccccc3)nc(N[C@H](C(N)=O)c3ccccc3)c2c1C 84065496 WVYNLUKCIVUYHM-SFHVURJKSA-N 388.496 4.614 0 40 GJAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3cccc4[nH]ccc34)o2)n1 95472076 JEOKVVBHENNLEW-UHFFFAOYSA-N 378.457 4.712 0 40 GJAB O=C(c1ccc(F)cc1Cl)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119072 QIZIQAQBIABAAB-NSHDSACASA-N 391.855 4.610 0 40 GJAB CCCCCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21 100504413 QNVKBCYSFMSJIG-UHFFFAOYSA-N 382.435 4.679 0 40 GJAB CN1/C(=C/C(=O)Nc2ccccc2Br)c2ccccc2CC1(C)C 100682206 ZFGJCWXSTXGGKM-LDADJPATSA-N 385.305 4.695 0 40 GJAB COc1ccc(-c2c(NC(=O)c3ccco3)oc3ccc(Cl)cc3c2=O)cc1 101192182 NOZZEDWTICXTJH-UHFFFAOYSA-N 395.798 4.967 0 40 GJAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccccc1 101381070 HVLZZVHGNJCJOD-STZFKDTASA-N 399.446 4.927 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718492 INACYRPXKAMGJT-LLVKDONJSA-N 397.689 4.947 0 40 GJAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 113936184 VCXYAKNEJLOFBU-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(N2CCCC2=O)cc1 216489581 CKFSXIRRIXJGCE-NRFANRHFSA-N 388.467 4.763 0 40 GJAB Cc1ccccc1[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2)CCS1 219277501 UNVODHRKWQQXOA-IBGZPJMESA-N 375.921 4.734 0 40 GJAB CN(CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccccc1 222734330 QMVGECJYFBYIFV-UHFFFAOYSA-N 397.371 4.869 0 40 GJAB O=C(CCSc1ccccc1)Nc1nnc(SCc2ccccc2)s1 222834234 ZXWWTLLRUXKQRB-UHFFFAOYSA-N 387.555 4.951 0 40 GJAB CCc1ccc(OCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 223443723 VGSYZFPFYWJHQS-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)cc1 223746151 FYDCRIRDFUHLAY-ZWKOTPCHSA-N 381.526 4.637 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 224139835 SJVLQNQKEXYGDW-QGZVFWFLSA-N 389.923 4.872 0 40 GJAB C[C@@H](SCc1ccccc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224645651 MYNJLVXKIKEGKD-LJQANCHMSA-N 382.573 4.611 0 40 GJAB CSc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 224985815 YGGUWXCVPDEADQ-UHFFFAOYSA-N 395.855 4.906 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2)n1 225286862 LLVGGYBRMJKEBH-UHFFFAOYSA-N 398.304 4.871 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OCC)ccc1O[C@H](C)CC 225818978 DRVOGFUKSDQIQN-ZHRRBRCNSA-N 393.524 4.820 0 40 GJAB CCCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1C(=O)OC 225834382 HNCQUZVUQJEJQT-UHFFFAOYSA-N 391.508 4.576 0 40 GJAB CCc1ccc([C@H](CC(=O)O)c2c(O)c3c(C)cc(C)c(C)c3oc2=O)cc1 226759592 BDTDGEMLUVTDGO-KRWDZBQOSA-N 380.440 4.593 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 408709284 YZTQCUVFQKIOLH-KLHKWILBSA-N 390.955 4.804 0 40 GJAB CCCCOC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 408731860 NNJGESMIHPDOFF-FNAHDJPLSA-N 378.468 4.784 0 40 GJAB C[C@@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(F)cc4)cc3cc21 575473200 MZPVVHZNARIHHN-CYBMUJFWSA-N 379.431 4.885 0 40 GJAB O=S(=O)(c1ccccc1-c1ccccc1)N1CCCO[C@@H](c2ccccc2)C1 591819397 LAJFZJUVLSNOFQ-JOCHJYFZSA-N 393.508 4.506 0 40 GJAB CCOc1ccc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)cc1 1615117661 BWQAGQMWXQPGPR-DEOSSOPVSA-N 396.506 4.888 0 40 GJAB C[C@@]12C(=O)N(c3ccc(F)cc3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 678435 QLUMTOGTQHGBPT-SGDKSWKTSA-N 383.422 4.612 0 40 GJAB CCOC(=O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1Cl 1248417 APVONZGKFNSYNG-UHFFFAOYSA-N 385.847 4.737 0 40 GJAB O=C(Nc1cccc(F)c1C(=O)O)OCC1c2ccccc2-c2ccccc21 2582943 HFBURYAYFVBBBH-UHFFFAOYSA-N 377.371 4.885 0 40 GJAB C[C@@H](Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)c1ccccc1 2719964 DDABPWFSNHAAMG-CYBMUJFWSA-N 384.501 4.873 0 40 GJAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 4108919 QMJQOKUQBKNCAO-UHFFFAOYSA-N 391.496 4.561 0 40 GJAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 4696102 PMMDWJASKGXYKU-XMMPIXPASA-N 396.446 4.950 0 40 GJAB C[C@@H](NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 4846831 AEVGVYCDNMQEQY-LJQANCHMSA-N 387.479 4.629 0 40 GJAB O=C1C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)OCCc1ccccc1 4886777 BLWXWRNPYHUOTD-ZKMPZPQNSA-N 384.475 4.929 0 40 GJAB CCc1ccc(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)cc1 4966372 UIKWTAADMAKGCP-UHFFFAOYSA-N 379.529 4.677 0 40 GJAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC(C)C)cc1OC 5107072 SWZRYMKOWXNCQP-UHFFFAOYSA-N 396.443 4.687 0 40 GJAB C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)NC(=O)c1ccc(C(C)(C)C)cc1 5880898 HHQMEXYVYWGYDZ-KRWDZBQOSA-N 394.559 4.830 0 40 GJAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 6128426 YTZXETAJZHDXSO-ZDUSSCGKSA-N 398.919 4.917 0 40 GJAB COc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1Br 6846864 CFUOHKUCUJPGNB-UHFFFAOYSA-N 386.245 4.628 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCCOc3ccccc3)n2)cc1 6905584 LVSYSYNCSNKSPH-UHFFFAOYSA-N 395.484 4.566 0 40 GJAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)cc2)c(C)cc1Br 7939769 GGLMKSSJJLQBFD-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB Cc1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1 7966392 XOUSJAZLKRDBDU-INIZCTEOSA-N 394.540 4.800 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(N3CCCC3=O)c2)cc1 8074060 KRUXQQHUBVJTQV-JOCHJYFZSA-N 392.499 4.580 0 40 GJAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3C(N)=O)o2)cc1Cl 8319874 FZNGJKJPICXMED-PKNBQFBNSA-N 380.831 4.659 0 40 GJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2ccc(F)cc2)o1 8342408 JIMJOFDALPCADN-UHFFFAOYSA-N 381.403 4.519 0 40 GJAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c1 8562753 UEEDYCAWCBNCNS-INIZCTEOSA-N 377.440 4.777 0 40 GJAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 11614170 JKUICYOYPYNQOO-SECBINFHSA-N 376.692 4.787 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1Cl 11718482 KICYXMQNGXRORQ-UHFFFAOYSA-N 381.259 4.849 0 40 GJAB Cc1cc(=O)n2c(-c3cccc(NC(=O)Nc4cccc(F)c4)c3)csc2n1 11769974 WZLFBHNLKNWXIQ-UHFFFAOYSA-N 394.431 4.515 0 40 GJAB O=C(Nc1ccccc1F)c1cc(Br)c(Br)s1 12754861 MTHJJDLNWKCGII-UHFFFAOYSA-N 379.048 4.665 0 40 GJAB COc1ccc(CCCN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1OC 12888525 NXJCTCGZXSFANQ-UHFFFAOYSA-N 397.446 4.808 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13685324 PTMPNSFKCZYCDZ-KRWDZBQOSA-N 390.483 4.776 0 40 GJAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 14095518 HGIPGZUEZNSJFH-OAHLLOKOSA-N 399.897 4.993 0 40 GJAB Cn1c(NC(=O)c2ccc(Cl)cc2)c(-c2ccccn2)c(=O)c2ccccc21 17440268 CZWMBSOAHJLEGK-UHFFFAOYSA-N 389.842 4.506 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1ccccc1F)N(Cc1ccncc1C)CC2 19239532 JGHNATADMHVGPY-DEOSSOPVSA-N 392.474 4.694 0 40 GJAB O=C(c1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 19928958 PBNJCINTNHFLBJ-UHFFFAOYSA-N 392.449 4.512 0 40 GJAB Cc1cccc(-c2cc(NC(=O)COc3ccccc3)n(-c3ccccc3)n2)c1 21944836 HPAOGVSBJBHITI-UHFFFAOYSA-N 383.451 4.865 0 40 GJAB Cc1ccc(-c2nc(CSC(=N)Nc3ccc4c(c3)OCCO4)cs2)o1 30515913 YURGVSXOQRFLMY-UHFFFAOYSA-N 387.486 4.763 0 40 GJAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccoc1C 32610217 OCPAQFRETJWCAE-UHFFFAOYSA-N 394.258 4.997 0 40 GJAB CSc1ccc(Cl)c(C(=O)NCCCc2cn(-c3ccccc3)nc2C)c1 32912104 PGIDLBQMFWFOLI-UHFFFAOYSA-N 399.947 4.919 0 40 GJAB COc1ccc(CNC(=S)Nc2c(C)cc(Br)cc2C)cc1 44195322 MKSDHRLGABREGU-UHFFFAOYSA-N 379.323 4.561 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3F)o2)cc1 48513621 FTAPRIKCYXLCKS-UHFFFAOYSA-N 377.828 4.568 0 40 GJAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1Br 58160862 PZFHGNAOOMNMQQ-UHFFFAOYSA-N 395.300 4.767 0 40 GJAB O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cc(F)ccc1F 67296074 ZSRPROWGVDPZAA-NKFKGCMQSA-N 383.379 4.652 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 72230032 GINISWUQUQUXBD-QFIPXVFZSA-N 381.859 4.748 0 40 GJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc(N2CCCC2)ncc1Cl 72277161 ANACECSEBDFWQV-IEBWSBKVSA-N 398.938 4.529 0 40 GJAB O=C1CCCC[C@@H]1[C@@H]1CCCCCN1C(=O)c1csc(Br)c1 79066574 IFTJFAAXFKZOQF-KGLIPLIRSA-N 384.339 4.655 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C)cn2)C12CCCC2 79479904 FUDVRPJCORBFFH-UTKZUKDTSA-N 391.515 4.679 0 40 GJAB Cc1cc(-c2oc(/C=C\C(N)=O)cc2Br)c(C)cc1Br 208753565 NAPURYHURGCJMU-ARJAWSKDSA-N 399.082 4.587 0 40 GJAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 223051770 ZMNANLANGOGMLJ-HSZRJFAPSA-N 394.559 4.604 0 40 GJAB C[C@@H](CNC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 224256499 WSXMUXRWLXCHPY-HNNXBMFYSA-N 398.300 4.901 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 224985366 HZKIPVBFUFYRHI-UHFFFAOYSA-N 388.895 4.522 0 40 GJAB Cn1c(=O)sc2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc21 225049007 MJUNPSNEZIJJRX-UHFFFAOYSA-N 388.492 4.761 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)/C(=C/c3ccco3)c3ccccc3)ccc21 225076992 FFGLEANXJFURBG-NBVRZTHBSA-N 390.464 4.855 0 40 GJAB S=C(NCCCSCc1ccco1)Nc1cccc(Br)c1 225592915 QSWKXEFKIGGEOQ-UHFFFAOYSA-N 385.352 4.652 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225824911 OXRINYVFXFGGPQ-OAQYLSRUSA-N 379.497 4.574 0 40 GJAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(CC2CC2)CC1 257200763 AEULCKIZFRFGDB-UHFFFAOYSA-N 396.600 4.974 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)c2ccccn2)n1 257343210 ZRXJXSNUJTUVJW-QFIPXVFZSA-N 375.447 4.959 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)Cc3ccccc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409361704 RDDPDCDZHVDHTA-GUXCAODWSA-N 396.453 4.531 0 40 GJAB Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 409383160 ZSHWXNAPMSCIFA-QFIPXVFZSA-N 392.480 4.615 0 40 GJAB Cc1cc(NC(=O)N2CCC[C@H](N3CCCC3=O)CC2)ccc1-c1ccccc1 570264026 WZYITCNXQKYMGV-NRFANRHFSA-N 391.515 4.671 0 40 GJAB Cc1cc(C)c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(OCC(C)C)n1 1388740 WBLOVATZKCOYRF-UHFFFAOYSA-N 375.534 4.864 0 40 GJAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(SC)cc3)NC(=O)CN21 2159998 LZNUWSICCOASJN-MDRMPYQZSA-N 378.541 4.608 0 40 GJAB biogenic Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)CCC2 2618533 XRVHJGPKFJXREA-HNNXBMFYSA-N 398.462 4.941 0 40 GJAB CC(C)[C@@H](c1nnnn1C1CCCCC1)N1CCC(Cc2ccccc2)CC1 4230368 UHAVCMUJIZMVIX-QFIPXVFZSA-N 381.568 4.830 0 40 GJAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1cccs1 4320293 QSWYNUPJWYWAER-UHFFFAOYSA-N 381.844 4.557 0 40 GJAB COc1ccccc1OCCNC(=O)CC1c2ccccc2Oc2ccccc21 4698385 OVMHSPYKMSCWRM-UHFFFAOYSA-N 389.451 4.518 0 40 GJAB COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2OC32CCCCC2)cc1 4715974 UHBDZNBOWUIIOP-OAQYLSRUSA-N 378.472 4.908 0 40 GJAB CCCC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@H]1c1ccc(C)cc1 4816587 IAXGXIUYDAXKDR-PMACEKPBSA-N 378.451 4.593 0 40 GJAB O=C(CSc1ccccc1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 5192074 DJVNRHVSROFXAJ-UHFFFAOYSA-N 394.477 4.647 0 40 GJAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1cccs1 5500908 RPGASFVGBMBKCI-AGHHOFFYSA-N 385.529 4.655 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2ccc(C)c(F)c2)cc1OC 5702015 DCTWFQBVZXWJNR-UHFFFAOYSA-N 382.229 4.556 0 40 GJAB CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3[C@@H](C)CC)cc1 5737001 FVYFSIYBJASOJN-UGSOOPFHSA-N 389.521 4.513 0 40 GJAB C[C@H](Sc1nnc(C2CC2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 7289286 TYMUJLCNYDOXLN-AWEZNQCLSA-N 395.484 4.645 0 40 GJAB O=C(Nc1cccc(Cl)c1)c1ccccc1OCc1cn2ccccc2n1 7318758 ZAHZXYRWBVWGOZ-UHFFFAOYSA-N 377.831 4.819 0 40 GJAB CCc1ccc2c(CN3CCC[C@@H]3c3ccc(OC)cc3OC)cc(=O)oc2c1 7739821 PFVZMMCABYYNLK-OAQYLSRUSA-N 393.483 4.710 0 40 GJAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 7763780 KPBPGELYDDYUKI-AWEZNQCLSA-N 398.557 4.653 0 40 GJAB Cc1noc(C)c1CSCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 7783079 KYXSKURMRIMYFM-UHFFFAOYSA-N 393.940 4.807 0 40 GJAB COc1ccc(Nc2nnc(SCc3ccc(-n4cccn4)cc3)s2)cc1 8487946 LQYXMIVJLMXDTR-UHFFFAOYSA-N 395.513 4.768 0 40 GJAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(C)ccc(Cl)c3s2)on1 11693196 UGKVMJFMSHELHH-UHFFFAOYSA-N 398.875 4.797 0 40 GJAB C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1F 12775873 XMHQHYNBRWDKGW-MRXNPFEDSA-N 386.430 4.564 0 40 GJAB Cc1cc(-c2cc(C(=O)N3c4ccccc4C[C@H]3C)c3c(C)noc3n2)c(C)o1 12814962 RZMFCMLALNPEBT-GFCCVEGCSA-N 387.439 4.999 0 40 GJAB COc1ccccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 12996690 VJRWAUMZXWYDGC-UHFFFAOYSA-N 388.876 4.565 0 40 GJAB COc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)cc2)ccc1O 13656070 BVHJLPIFRTVFNE-HNNXBMFYSA-N 383.835 4.672 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(C)cc1 14082295 ORCDEQVEKAOPFB-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB COc1ccc(-c2c/c(=N\CCCCCC(=O)O)c3cc(C)ccc3o2)cc1 15953106 DWGXOZUYCCHVKE-HIXSDJFHSA-N 379.456 4.963 0 40 GJAB CC[C@H](C)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 19499765 MSZBFFCJMHTULJ-AWEZNQCLSA-N 397.544 4.508 0 40 GJAB CCCCOc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)c1 20141557 YOFOWAJLWBXVEQ-UHFFFAOYSA-N 395.455 4.879 0 40 GJAB COc1ccc(-c2cc3nc(C)cc(N[C@H](C)c4ccccc4)n3n2)cc1OC 21150332 CGEKODPTIMJPDU-MRXNPFEDSA-N 388.471 4.895 0 40 GJAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccc(Br)cc1 21787402 MKTTZDYHMSNXCB-IBGZPJMESA-N 398.304 4.531 0 40 GJAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1cccnc1Cl 22462576 IGQNSAKEISHIMA-UHFFFAOYSA-N 376.803 4.704 0 40 GJAB O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cccnc1Cl 22462600 LZFJFHUTHOCDFP-UHFFFAOYSA-N 390.830 4.628 0 40 GJAB Clc1ccccc1-c1ccc(CN2CCN(Cc3cscn3)CC2)s1 27904483 COALPZFDCJFVBS-UHFFFAOYSA-N 389.977 4.843 0 40 GJAB O=C1CN(C(=O)c2ccccc2F)[C@H](c2ccccc2)c2ccc(Cl)cc2N1 28047958 VCIBBUDGZFVQIX-OAQYLSRUSA-N 394.833 4.663 0 40 GJAB Cc1cccc(-n2c(S[C@H]3CCCCCC3=O)nc3ccccc3c2=O)c1 28188258 MDTUDBOGFSCFBE-FQEVSTJZSA-N 378.497 4.688 0 40 GJAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)cc1Cl 32776197 CHJIUKPMPDYCIG-LLVKDONJSA-N 398.684 4.826 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)Nc1cccc(NC(=O)c2ccco2)c1 40104445 AJUTZEFTNITFEO-INIZCTEOSA-N 377.444 4.675 0 40 GJAB CCn1nc(C)c(NC(=O)c2cc3sccc3n2Cc2ccccc2F)c1C 44901887 ZQGZKQJYCZMVFM-UHFFFAOYSA-N 396.491 4.976 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(OC)cc1 44902519 UFEWHDWKYLGEFJ-HSZRJFAPSA-N 377.484 4.755 0 40 GJAB O=C(NC1CC1)c1ccc(NC(=O)N2CCC[C@H]2C2CCCCC2)cc1Cl 58162049 XNFMZRTZLZLQPQ-IBGZPJMESA-N 389.927 4.809 0 40 GJAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](c1ccc(O)c(Cl)c1)CC(O)=N2 71281686 DRSGLDCIQNWYNF-CQSZACIVSA-N 389.883 4.944 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC(c2nc(-c3ccsc3)no2)C1 90567309 FUDBMLAKZULROL-UHFFFAOYSA-N 395.271 4.736 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 95364915 ZVRYBETURWWDFL-RBUKOAKNSA-N 396.487 4.908 0 40 GJAB COc1ccc2cc(CNC3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)ccc2c1 95403027 MNBZNADBVNQLSK-SEJPIABJSA-N 396.531 4.869 0 40 GJAB COc1cccc(C[C@H]2CCCN2C(=O)c2cnc(-c3ccsc3)s2)c1 95958576 CWNNAUIBVFBEST-MRXNPFEDSA-N 384.526 4.728 0 40 GJAB CC(=O)c1sc(NC(=O)c2cc(F)cc3cccnc23)nc1-c1ccccc1 95981509 BPKOCJADNJCHNX-UHFFFAOYSA-N 391.427 4.952 0 40 GJAB Cc1noc(Cc2ccccc2NC(=O)C2c3ccccc3Oc3ccccc32)n1 96097055 ARYSAXZJZDHUKA-UHFFFAOYSA-N 397.434 4.845 0 40 GJAB O=C(NCc1ccc(C(=O)c2ccco2)s1)c1csc(-c2ccccc2)n1 96119892 OMWAMAMFTRHWKA-UHFFFAOYSA-N 394.477 4.626 0 40 GJAB O=C(CCc1ccccc1Br)N(CCc1cccs1)C1CC1 96120309 QAHHAYLFIRCNLG-UHFFFAOYSA-N 378.335 4.677 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccccn2)C[C@H](c2ccc(Cl)cc2)C1 102752926 CDAUPVNDJBUNPR-KPZWWZAWSA-N 393.834 4.747 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1ccco1 223365653 XHBIYLJQMOELIU-RTWAWAEBSA-N 392.528 4.764 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCCCOC2CCCCC2)cc1Cl 225618187 IRAWGZKLZQWMTL-UHFFFAOYSA-N 398.956 4.543 0 40 GJAB CO[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cc2ccccc2o1 244950793 FLTUOZXTHADILG-LJQANCHMSA-N 387.863 4.748 0 40 GJAB FC(F)Cn1cc(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)cn1 507067262 IRWFEBPIPPQITD-UHFFFAOYSA-N 396.894 4.791 0 40 GJAB O=C(NCc1ccccc1)c1cccc(Oc2ncncc2-c2ccccc2)c1 538146807 FJMOLZRVRGYKNS-UHFFFAOYSA-N 381.435 4.866 0 40 GJAB CCn1ncc(NC(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1C(F)(F)F 567063725 RRUNRGBIVKZMRE-HZPDHXFCSA-N 390.409 4.774 0 40 GJAB CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1cccnc1 648360 ABVXEZOYZCIAGU-UHFFFAOYSA-N 380.469 4.856 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)cc1 674120 FPOOQMGZHBVQJY-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CSc1ncnc2sc(C)c(C)c12 888538 ALYQRIGVCZBOAL-UHFFFAOYSA-N 393.921 4.701 0 40 GJAB COc1ccc([C@@H]2S[C@H](C)C(=O)N2c2ccc(Br)cc2)cc1 1064680 MJMCDPUKLXEZQQ-DIFFPNOSSA-N 378.291 4.625 0 40 GJAB CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCC[C@H](C)C1 1341071 IVUDPSYPAVBJKF-HNNXBMFYSA-N 394.519 4.521 0 40 GJAB Cc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)cc1 1358590 BLVFHTOCKCTBNS-UHFFFAOYSA-N 386.451 4.581 0 40 GJAB CCCSc1nnc2c(n1)O[C@H](c1ccccc1OCC)Nc1ccccc1-2 2095798 OASXHIVHHDGWLP-LJQANCHMSA-N 394.500 4.943 0 40 GJAB COC(=O)c1cccc2c(-c3ncc(-c4ccccc4)o3)ccc(C(=O)OC)c12 2271144 WTUYEHQGNCCTJP-UHFFFAOYSA-N 387.391 4.735 0 40 GJAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1Cc1ccccc1 2635315 SWLKRDNOUZHPTL-NRFANRHFSA-N 388.492 4.719 0 40 GJAB CC[C@@H](C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(C)cc1 2721830 XCSOXLUJTWLCOS-CYBMUJFWSA-N 377.487 4.966 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1OC 3308096 JJWCYTOCHBGYPX-UHFFFAOYSA-N 399.494 4.846 0 40 GJAB Cc1ccc(Cn2c([C@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)cc1 4033504 LUQNPBJCAPZKRJ-QFIPXVFZSA-N 395.506 4.909 0 40 GJAB O=C(Cc1cccs1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4223634 AMWRWULFBWUNJP-UHFFFAOYSA-N 375.906 4.515 0 40 GJAB CCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)=O)C2 4275250 KSKYQMSHODHECQ-UHFFFAOYSA-N 399.541 4.668 0 40 GJAB Clc1ccc(CSc2ccc3nnc(-c4ccncc4)n3n2)c(Cl)c1 4328139 MCYHKVFUBOVSGO-UHFFFAOYSA-N 388.283 4.785 0 40 GJAB COc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 4510543 BCLWMIHWPKZDNX-QGZVFWFLSA-N 396.314 4.850 0 40 GJAB CC[C@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 4646555 COQHKTZHOMASHW-URNNUDQISA-N 386.561 4.517 0 40 GJAB COc1cccc(OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 4670396 AHKURLXXKDUCGT-UHFFFAOYSA-N 377.396 4.621 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccc(Cl)c1 4800577 KJZKQHZTYAXFEN-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB Cc1cccc(CCNc2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCC3)c1 4966852 NJYYLFGOKQTOMT-UHFFFAOYSA-N 386.474 4.987 0 40 GJAB CCOc1ccc(-c2cn3c(CC(=O)Nc4ccccc4C)csc3n2)cc1 5147013 WWVNSDBZZZEMQG-UHFFFAOYSA-N 391.496 4.951 0 40 GJAB O=C(OCC(=O)N1CCCCCC1)c1ccccc1-c1nc2ccccc2s1 5989612 MQOFTQCSQVJSMF-UHFFFAOYSA-N 394.496 4.523 0 40 GJAB O=C(NC1CC1)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 6047324 FYLAPVDPCPSVMD-UHFFFAOYSA-N 398.572 4.674 0 40 GJAB COc1ccccc1N/C=C1/C(=O)N(c2cccc(C)c2)C(=O)c2ccccc21 6412730 VKZJDQCWAUEPTP-HMMYKYKNSA-N 384.435 4.644 0 40 GJAB O=C(COc1ccccc1-c1ccccc1)Nc1nc(-c2ccccn2)cs1 6831463 MNFPZZPOWGRIIO-UHFFFAOYSA-N 387.464 4.890 0 40 GJAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCCOc1ccccc1 7759822 PFNHEXVPALBXTB-UHFFFAOYSA-N 399.878 4.598 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7881987 NXVUFERRLGUMQO-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c1C 8042069 CYZAXKAWAUHTDG-UHFFFAOYSA-N 395.484 4.557 0 40 GJAB O=C(CCn1ccc2ccccc21)Nc1cccc(-c2nnc3n2CCCCC3)c1 8139851 RXEVYODUSOQSGY-UHFFFAOYSA-N 399.498 4.655 0 40 GJAB O=C(c1cc2c(F)cccc2s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8279457 DHBCXBPIWNLDRP-INIZCTEOSA-N 383.444 4.789 0 40 GJAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CCCCCC1 8313619 TVLUWCOMOWUACK-GFCCVEGCSA-N 379.913 4.710 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCSc3ccccc32)c1 8390635 CFSZHQRUHYISLZ-FQEVSTJZSA-N 394.496 4.837 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c(C)c1 8558487 JPDPHJVFINOAHG-LJQANCHMSA-N 394.515 4.726 0 40 GJAB Cc1ccc(C)c(CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c1 9477206 SQYVZOWEAAFECG-INIZCTEOSA-N 384.524 4.938 0 40 GJAB Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1 10692455 BCLVXHSHVTWTQG-QFIPXVFZSA-N 384.479 4.803 0 40 GJAB CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccccc1 11020622 LIZRFNXTVVEYDK-UHFFFAOYSA-N 385.361 4.953 0 40 GJAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)cc1 11915030 DODLVOQWIWEQQC-UHFFFAOYSA-N 380.875 4.910 0 40 GJAB Cc1oc(-c2ccc(F)cc2)nc1C(=O)N[C@H](c1ccccc1)c1cccnc1 12148298 CBSDUMDFEBPJAV-OAQYLSRUSA-N 387.414 4.704 0 40 GJAB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cccnc1Cl 12389515 FXQMUYOKLNMNTF-UHFFFAOYSA-N 376.799 4.761 0 40 GJAB Cn1c(SCc2cccc3ccccc23)nnc1[C@H]1COc2ccccc2O1 12598748 UZBNMKQHMHMPDN-HXUWFJFHSA-N 389.480 4.773 0 40 GJAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(OC[C@H]2CCCO2)cc1 12764710 JNTDNEJXVNXFME-LJQANCHMSA-N 394.496 4.544 0 40 GJAB COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 16917353 MFJXVIYLWGYZQR-UHFFFAOYSA-N 393.826 4.610 0 40 GJAB CCN(C(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccc(F)cc1 23887256 OZDIVNWQFNHBSO-UHFFFAOYSA-N 394.475 4.655 0 40 GJAB O=C(CCCOc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 24033257 LQRLJQFNVDUYIO-UHFFFAOYSA-N 380.469 4.798 0 40 GJAB CC(C)c1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)n1 27778880 WUHAAIMSPZPVFE-CYBMUJFWSA-N 384.505 4.871 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)CCCn3c(C)csc3=O)ccc21 28197105 NFXFGPRZQSBOCN-UHFFFAOYSA-N 393.512 4.765 0 40 GJAB COc1ccc(NC(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)cc1 28579577 ZDAOTRIFAZNJON-UHFFFAOYSA-N 391.258 4.891 0 40 GJAB CC1=C[C@@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 30883575 MGJVBLWNXOIENF-ACRUOGEOSA-N 396.579 4.949 0 40 GJAB biogenic,in-vitro Cc1nc2ccccc2nc1CSCCC(=O)NCc1ccccc1Cl 32778718 MVUVMLLJBJYNEG-UHFFFAOYSA-N 385.920 4.531 0 40 GJAB O=C(COc1ccc2ccccc2c1)Nc1cccc(-n2cc[nH]c2=S)c1 40087150 NPXFGQAJMUQBRT-UHFFFAOYSA-N 375.453 4.706 0 40 GJAB NC(=O)c1ccc(NC(=O)c2cc3c(s2)-c2cc(F)ccc2SC3)cc1 45163254 LKIGZNHZWHPKSP-UHFFFAOYSA-N 384.457 4.511 0 40 GJAB CCC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2s1 57313862 VLZUISWCMUKMBT-UHFFFAOYSA-N 389.864 4.559 0 40 GJAB CCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC(C)CC4)cc3)cc2c1 57712733 DVWOEQADOSXDLC-UHFFFAOYSA-N 375.516 4.939 0 40 GJAB Cc1nn(CN2CCCC[C@@H]2Cc2ccccc2)c(=S)n1Cc1ccccc1 58158629 JINBCXCBFAXMHI-JOCHJYFZSA-N 392.572 4.826 0 40 GJAB C[C@@H](OC(=O)c1ccc2cc[nH]c2c1)C(=O)N[C@H](C)c1ccc2ccccc2c1 58796743 XTQAZURKGSAIGU-HZPDHXFCSA-N 386.451 4.744 0 40 GJAB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cccc(C2SCCS2)c1 65537621 ITDJSGIQTXEZFT-UHFFFAOYSA-N 383.489 4.555 0 40 GJAB CC(C)c1cc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)nn1C(C)(C)C 69393422 UZVFNBFDBYCBED-QFIPXVFZSA-N 390.531 4.808 0 40 GJAB O[C@H](CN(Cc1ccccc1)Cc1nc(-c2cccs2)no1)c1ccsc1 79093014 IVUBLRVURSLLJQ-QGZVFWFLSA-N 397.525 4.595 0 40 GJAB Cc1cc2cc(NC(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)ccc2[nH]1 95365176 IUYWGDKPAAAXDR-UHFFFAOYSA-N 378.407 4.545 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 219025576 ZUQZEUDTKHABQF-GOSISDBHSA-N 377.484 4.755 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225622890 BPMYAIRVNHQEGN-QHCPKHFHSA-N 390.568 4.721 0 40 GJAB CCCO[C@@]1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCC[C@H](C)C1 225667392 XQAHITWTDCTUFW-YWZLYKJASA-N 383.916 4.679 0 40 GJAB COc1cccnc1NC(=S)N[C@H](c1ccccc1)c1ccc(C)cc1C 225769799 XKGHSWQESRHCLT-HXUWFJFHSA-N 377.513 4.783 0 40 GJAB O=C(N[C@@]1(C(=O)O)CC2CCC1CC2)OCC1c2ccccc2-c2ccccc21 253187827 VMAZQTMZEUFSRF-WLNDFMDLSA-N 391.467 4.559 0 40 GJAB COc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)c1ccccc1Cl 408624737 ZMFDQCYIQQOCFR-UHFFFAOYSA-N 398.821 4.992 0 40 GJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(F)c2)cc1 408676465 OGBVUZWIXAKTNM-UHFFFAOYSA-N 388.398 4.575 0 40 GJAB O[C@@]12CCCC[C@H]1[C@H](c1ccc3c(c1)OCO3)N(C/C=C/c1ccccc1)CC2 524728994 RDZKUDPALZMKLW-XRLLRDSSSA-N 391.511 4.797 0 40 GJAB biogenic CC(C)(C)CCc1noc([C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)n1 569505725 DUQNFKPWESDMIO-AWEZNQCLSA-N 393.434 4.627 0 40 GJAB CC(C)C[C@H](C)n1nccc1NC(=O)N1CCC2(CC1)OCCc1ccccc12 582768340 DPPAKJWCZRIHNT-SFHVURJKSA-N 396.535 4.586 0 40 GJAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@@H](c3ccc4ncccc4c3)C2=C1O 1547205953 AZOJDNFYXPCWIF-OAQYLSRUSA-N 394.434 4.566 0 40 GJAB CCOc1cc(Cl)c([C@H](C)NC(=O)c2ccccc2OC)cc1OCC 668050 ANVGNBAEMDSRSC-ZDUSSCGKSA-N 377.868 4.637 0 40 GJAB Cc1sc2ncnc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1C 710223 ULUTXPBTYUMGKO-UHFFFAOYSA-N 393.343 4.942 0 40 GJAB O=Cc1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 1095354 BEAPLPWLFVXQQM-UHFFFAOYSA-N 388.030 4.742 0 40 GJAB CC(C)(C)NC(=O)CN1c2ccccc2C(C)(C)[C@]12C=Cc1ccccc1O2 2288922 YQUVPQYSNOMLIQ-XMMPIXPASA-N 376.500 4.501 0 40 GJAB Cc1ccc(NC(=O)CSCCOc2ccc(Br)cc2)cc1C 2651841 AZOPFNMWSFOAAB-UHFFFAOYSA-N 394.334 4.817 0 40 GJAB Cc1ccccc1/N=c1\scc(-c2ccc(Br)cc2)n1CCO 2684346 RSXRJLAXMUULFI-ZZEZOPTASA-N 389.318 4.512 0 40 GJAB CC(C)N(C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 3237164 HOFMQHYOSIYQBH-UHFFFAOYSA-N 387.479 4.881 0 40 GJAB CCCC[C@H](CC)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3333907 WXMNWEXWUUORKU-LBPRGKRZSA-N 392.849 4.972 0 40 GJAB COc1ccc(-c2cc(C(=O)OCC(=O)C(C)(C)C)c3ccccc3n2)cc1 3448634 MPTURCWVBJCECY-UHFFFAOYSA-N 377.440 4.682 0 40 GJAB CCCCNC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 4132185 MHRIBVHMZYSHJZ-UHFFFAOYSA-N 385.577 4.564 0 40 GJAB CCOc1ccc2nc3sc(C(=O)Nc4nc(C)c(C)s4)c(N)c3cc2c1 4848824 UVJXBIHZIZVVAF-UHFFFAOYSA-N 398.513 4.756 0 40 GJAB CCc1cc2cc3c(cc2nc1SCC(=O)c1ccc(OC)cc1)OCO3 4849519 APNNKLNBLBJSQR-UHFFFAOYSA-N 381.453 4.510 0 40 GJAB CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccccc1 4958751 JRYXXSNVAJXIRL-MDWZMJQESA-N 381.863 4.840 0 40 GJAB C[C@H]1CCCN([C@@H](c2cccc(C(F)(F)F)c2)c2nnnn2C2CCCC2)C1 4968271 RVRVUHIVWNXATC-KSSFIOAISA-N 393.457 4.628 0 40 GJAB Cc1csc(NC(=O)CSc2ccc(-c3cc(C)c(C)cc3C)nn2)n1 5411948 DPJHSKLBDJORLH-UHFFFAOYSA-N 384.530 4.565 0 40 GJAB O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)Nc1ccc(F)cc1Cl 5951088 MQHQEURIFVBIDT-MRXNPFEDSA-N 388.855 4.585 0 40 GJAB C[C@@H]1CCN(C(=O)CSc2ncnc3sccc23)c2ccccc2S1 6115344 QKDQSQNQZASKAH-GFCCVEGCSA-N 387.555 4.701 0 40 GJAB O=S(=O)(C1=Cc2ccccc2CC1)N(Cc1ccco1)Cc1cccs1 6606871 YXGBXUAKIVZPHU-UHFFFAOYSA-N 385.510 4.660 0 40 GJAB CCOc1ccc(OCCn2nc(-c3cccs3)c3ccccc3c2=O)cc1 7024047 GEXCLFRPDPOUDS-UHFFFAOYSA-N 392.480 4.603 0 40 GJAB CCOc1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 7510274 GPTLCGUZMDQLIV-UHFFFAOYSA-N 378.215 4.694 0 40 GJAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Oc2ccccc2)cc1 7670097 HQWDRULIARHQEQ-UHFFFAOYSA-N 399.450 4.677 0 40 GJAB Cc1ccc(Sc2ncccc2C(=O)NCC2(N(C)C)CCCCC2)c(C)c1 7985521 JPCHSIZWBDYOCP-UHFFFAOYSA-N 397.588 4.844 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(C3CC3)n2C)c2ccccc2)c1 8036503 KBDVJYDTRMBBKM-LJQANCHMSA-N 392.528 4.781 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c(C)c1 8040692 XAXTZNNLVUGBLI-INIZCTEOSA-N 377.937 4.774 0 40 GJAB Cn1c(CNC(=O)c2ccccc2SCc2ccsc2)nc2ccccc21 8164908 NBJLNOGNCWLOSY-UHFFFAOYSA-N 393.537 4.857 0 40 GJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 8494455 VXOPEHNVLIGWFM-INIZCTEOSA-N 377.937 4.774 0 40 GJAB C[C@H](C(=O)N1CCCCCC1)n1c(COc2ccccc2)nc2ccccc21 9366844 NTVGXRHKWKRPEW-GOSISDBHSA-N 377.488 4.579 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2c(F)cccc2Cl)c1 10444255 XMJBBMLTKNGRDA-UHFFFAOYSA-N 395.883 4.836 0 40 GJAB COc1ccc(C2(NC(=O)c3c(-c4ccncc4)noc3C)CCCCC2)cc1 12197806 FCMNEHUFLNUNEQ-UHFFFAOYSA-N 391.471 4.643 0 40 GJAB CSCC[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1nc2ccccc2[nH]1 12506852 GBYNZLOKBRKTEY-BEFAXECRSA-N 399.585 4.963 0 40 GJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3c4ccccc4C[C@H]3C)c12 12735959 DBYMWQMVHBBPRG-CYBMUJFWSA-N 387.414 4.929 0 40 GJAB O=C(Nc1cccc(Br)c1)c1cccc(OCc2cscn2)c1 12864164 KFFQCUNYJMPXFW-UHFFFAOYSA-N 389.274 4.737 0 40 GJAB CC(=O)N[C@@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(C)C 12869916 OKKKNXCEXJXRDQ-GOSISDBHSA-N 393.512 4.576 0 40 GJAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@@H](c1cccnc1)CC(=O)N2 15107635 HUJBWQHHNRQTPW-OAHLLOKOSA-N 397.887 4.831 0 40 GJAB Cc1cccc(OC2CCN(C(=O)c3cc4cc(F)ccc4nc3C)CC2)c1 19666442 XJCMUGWBCZDBLY-UHFFFAOYSA-N 378.447 4.674 0 40 GJAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(Cc3cccc(F)c3)CC2)C1 19712741 ZQPZCFSPAFHJGI-GOTSBHOMSA-N 382.523 4.690 0 40 GJAB Cc1ncsc1C(=O)N1[C@H]2CCCCCN(C)[C@@]2(C)C[C@H]1Cc1ccccc1 19713467 CXQWDUMEOBVXEP-QTEQDKRBSA-N 397.588 4.542 0 40 GJAB COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccccc3)s1)C=CO2 19809984 FDVBHHCMSBEDNV-UHFFFAOYSA-N 390.464 4.671 0 40 GJAB COc1ccc([C@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)cc1O 20851440 JZTWOIIJMZTFDH-CQSZACIVSA-N 398.256 4.791 0 40 GJAB Cc1cc(OCC(=O)Nc2ccccc2NC(=O)c2ccccc2)ccc1Cl 25878731 BRLACEFBORVMPS-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB COc1ccccc1NC(=O)c1sc2nc(-c3ccccc3)nc(C)c2c1N 27789182 GRVVNGVYCLZPMM-UHFFFAOYSA-N 390.468 4.510 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC[C@H]1c1cccs1 32716663 OHJRRAOHEHDWDP-FQEVSTJZSA-N 379.529 4.847 0 40 GJAB CC(=O)Nc1ccc(OC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1 32727647 LAOXQUVWYWDHNZ-UHFFFAOYSA-N 379.387 4.582 0 40 GJAB C[C@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1 32870375 IVBQSIDRQDKERB-HNNXBMFYSA-N 395.890 4.834 0 40 GJAB Cc1cccc(C(=O)Nc2ccccc2OC(F)(F)[C@H](F)C(F)(F)F)n1 32925684 HKAYQCXSWPNJTM-CQSZACIVSA-N 378.272 4.514 0 40 GJAB COc1ccc(/C=C2/CCCc3c2nc2ccc(C)cc2c3C(=O)O)cc1O 34849359 YFSJORYFTRLFCD-PTNGSMBKSA-N 375.424 4.833 0 40 GJAB Cc1ccc(F)c(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c1 36615784 JJDZGZMKVLGGKW-UHFFFAOYSA-N 392.409 4.876 0 40 GJAB CCn1nc(C)c2c(C(=O)N3CCC[C@H](C)C3)cc(-c3ccc(C)cc3)nc21 36616035 TZEMFMBFUHRGEB-INIZCTEOSA-N 376.504 4.607 0 40 GJAB COc1ccc(C(C)=O)cc1CC(=O)N(Cc1cccc(C)c1)Cc1ccco1 40070266 YLOUIZKTJHVQJC-UHFFFAOYSA-N 391.467 4.571 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(NC(=O)c2ccco2)c1 40104446 AJUTZEFTNITFEO-MRXNPFEDSA-N 377.444 4.675 0 40 GJAB O=C(CCc1ccc(Cl)cc1)NCc1cccc(C(=O)Nc2ccccc2)c1 40106747 QTPLGYLGHPYYFR-UHFFFAOYSA-N 392.886 4.841 0 40 GJAB O=c1[nH]c(N2CCc3ccccc32)nc2nccc(/C=C/C=C/c3ccccc3)c12 40388582 HHFBPCAERHJEQE-JBZDOKMESA-N 392.462 4.739 0 40 GJAB O=C(NCc1ccc(F)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44932080 ZJBLOJPIMYSBLJ-UHFFFAOYSA-N 395.305 4.661 0 40 GJAB FC(F)(F)COCCCSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 52890584 TVUNGQWTMNPXTA-UHFFFAOYSA-N 396.438 4.822 0 40 GJAB COC(=O)c1c(CN(C)Cc2ccc(SC)cc2)nc2ccccc2c1C 57688579 IYDHAVLGFHRTKX-UHFFFAOYSA-N 380.513 4.684 0 40 GJAB CC(C)(C)c1ncc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)cn1 64324712 GDNGCCUWGMIWIE-UHFFFAOYSA-N 398.557 4.668 0 40 GJAB O=C(Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)[C@@H]1C[C@H]2CC[C@@H]1O2 70782763 XYVLMQMEHHDHKT-FMKPAKJESA-N 379.243 4.687 0 40 GJAB CCc1ccc([C@@H]2C[C@H](C)CCN2c2cc(C)nc3nc(C(F)(F)F)nn23)o1 83825422 YYSFDVBAEGICJS-RISCZKNCSA-N 393.413 4.585 0 40 GJAB C[C@H]1CN(C(=S)Nc2ccc(OC(F)(F)F)cc2)C[C@H](c2ccccc2)O1 84714131 XHUSSOFEBLKTHW-SUMWQHHRSA-N 396.434 4.744 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(Nc2ccccc2)s1 89895728 MGAFKUCLUZBYHR-HNNXBMFYSA-N 398.557 4.511 0 40 GJAB Cc1ccc(S(=O)(=O)n2cc(Br)c3cc(Cl)ccc32)cc1 90395694 VGISNTOZHOBKBP-UHFFFAOYSA-N 384.682 4.603 0 40 GJAB Cc1cccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccncc5)cn34)n2)c1 96155375 GDWASDZLKKOCSY-UHFFFAOYSA-N 393.450 4.748 0 40 GJAB Cc1ccc(-c2noc([C@H]3CCCN3C(=O)c3cc(Cl)ccc3F)n2)cc1 98212196 QJWKYSWLLPHPCR-QGZVFWFLSA-N 385.826 4.815 0 40 GJAB CCc1nnc(S/C(=C\c2ccc(OC(C)C)c3ccccc23)C(=O)O)o1 214861847 FULSPOCGVBAVPR-BOPFTXTBSA-N 384.457 4.790 0 40 GJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccccc1Br 222580586 JVTBYMHBGWTZIG-UHFFFAOYSA-N 386.224 4.606 0 40 GJAB Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222732713 SZAWKRWJYZNOND-FQEVSTJZSA-N 394.559 4.568 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1Cl 222800230 YPGWHZBDLYHBHZ-UHFFFAOYSA-N 389.879 4.832 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCOc2cccc3ccccc23)ccc1Cl 223570805 RFNRNSVNDIDQOC-MRXNPFEDSA-N 383.875 4.764 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 223926180 LCKGWOKSWPYTEY-GOSISDBHSA-N 394.515 4.960 0 40 GJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCCC3)o2)c(OC)c1 224929907 RQGYSTMLQLBZBX-UHFFFAOYSA-N 392.455 4.698 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 224976458 DFMVCXMHZWQGEG-RBUKOAKNSA-N 398.572 4.501 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)CSCc3cc(C)cc(C)c3)ccc21 225076050 JXPDHJBFZOSKBJ-UHFFFAOYSA-N 386.542 4.572 0 40 GJAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)ccc1OCC(C)C 225574997 NPZXUOULFFJNKX-UHFFFAOYSA-N 385.479 4.856 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 225700174 YCYQJOPKIIPIGY-NRFANRHFSA-N 390.508 4.858 0 40 GJAB S=C(Nc1ccc2c(c1)OCCO2)NC1(CCc2ccccc2)CCCC1 225858007 MUPPBOUUDLQVSP-UHFFFAOYSA-N 382.529 4.690 0 40 GJAB O=C(NCc1ccnc(-c2ccsc2)c1)c1cc(Br)cs1 244986030 JCQRSIDPFJVSMD-UHFFFAOYSA-N 379.304 4.564 0 40 GJAB Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 257311709 UKRPWTLEBJOQRB-GOSISDBHSA-N 375.447 4.902 0 40 GJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc2ncccc2c1 408570553 WSPYBDRXPIKNOY-UHFFFAOYSA-N 382.510 4.731 0 40 GJAB CC[C@@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(OC)cc3)ccc21 585106135 PVQHGTXCQJTVOP-QGZVFWFLSA-N 379.500 4.803 0 40 GJAB CC(C)(C)c1ccc2c(c1)CN(C(=O)c1cccc(Oc3cnccn3)c1)CC2 622496597 APUUGNKNSRXBCP-UHFFFAOYSA-N 387.483 4.765 0 40 GJAB Fc1ccc2c(C3CCN(c4ncc(Br)cc4F)CC3)noc2c1 624231544 AYJSNENLFPBAPX-UHFFFAOYSA-N 394.219 4.648 0 40 GJAB CC1(C)CO[C@@H](c2cccc(F)c2)CN1Cc1ccc2oc(C(=O)O)cc2c1 656765448 MDNCPXXZJVJHBT-HXUWFJFHSA-N 383.419 4.622 0 40 GJAB C[C@H]1CN(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)CC[C@@H](C)O1 663419398 QONBTPXMRMQLDK-LVCYWYKZSA-N 391.515 4.509 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc3ccccc3cc2OC)sc(C)c1C 649734 HALBAPRKWKHSMG-UHFFFAOYSA-N 383.469 4.956 0 40 GJAB O=C(CSCC(=O)N(C1CCCCC1)C1CCCCC1)Nc1ccccc1 686727 IWGQJANMWAOEBG-UHFFFAOYSA-N 388.577 4.852 0 40 GJAB Nc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)sc2c1 705088 APYLXKHXELWCSX-UHFFFAOYSA-N 383.420 4.628 0 40 GJAB Cc1nnc(SCC(=O)Nc2ccccc2Cl)n1-c1cccc(Cl)c1 976469 JQFNXPQDJJSGBS-UHFFFAOYSA-N 393.299 4.613 0 40 GJAB O=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 1078759 ZWRFYGFZOAZQCW-UHFFFAOYSA-N 395.261 4.623 0 40 GJAB Cc1cccc2c(SCC(=O)NC3CCCC3)nc(-c3ccc(F)cc3)nc12 1368190 WRYMCCGCJLGNAE-UHFFFAOYSA-N 395.503 4.895 0 40 GJAB Cc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccc(Cl)cc1 1378969 ZFZKGTJZFJZBGQ-UHFFFAOYSA-N 389.839 4.749 0 40 GJAB Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 2302225 YPSPMGPZNYUFJZ-DHIUTWEWSA-N 396.425 4.630 0 40 GJAB Cc1cc(C(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)n1Cc1ccco1 2637065 QRSOEOCHSIMYEN-UHFFFAOYSA-N 398.513 4.568 0 40 GJAB C[C@H](OC(=O)c1c(F)cccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 3348893 QIQBJBWWAYGPDL-QMMMGPOBSA-N 390.625 4.970 0 40 GJAB O=C(Cc1ccsc1)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 3419471 XVZOWXYRLCDJGI-NRFANRHFSA-N 384.428 4.781 0 40 GJAB CC(C)(C)C(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 4078212 RFWJRNIMANZWFP-UHFFFAOYSA-N 375.441 4.834 0 40 GJAB Cc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(F)cc3)cs2)cc1C 4676173 AYJHMAIQXIAKPN-UHFFFAOYSA-N 384.432 4.682 0 40 GJAB CC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 4682355 LHWZPOVHTSBUDL-WEVVVXLNSA-N 393.295 4.722 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)cc1 4860385 ANORDVXOMFQXIQ-UHFFFAOYSA-N 384.505 4.542 0 40 GJAB COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1OC 5169440 IHWWRAHYQYBAQA-UHFFFAOYSA-N 394.496 4.958 0 40 GJAB CN(C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1 5830526 NLPRMAZTFXPPSI-UHFFFAOYSA-N 393.443 4.539 0 40 GJAB CSc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 6112892 JHGHHNHLIJWXGE-UHFFFAOYSA-N 387.555 4.633 0 40 GJAB COc1cc2sc(NC(=O)COc3ccc(C)c(C)c3)nc2cc1Cl 6477998 QOKRGBSJHLRZRP-UHFFFAOYSA-N 376.865 4.593 0 40 GJAB Cc1ccccc1-c1nn(-c2ccccc2)cc1CNCc1ccc2c(c1)OCO2 8428754 IFJNIURGKUFIPF-UHFFFAOYSA-N 397.478 4.866 0 40 GJAB Cc1cc2oc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c(C)c2cc1Cl 8867669 LXHOOXSCADCHPA-KRWDZBQOSA-N 386.879 4.863 0 40 GJAB O=C(c1ccccc1Br)N(Cc1ccco1)Cc1cccs1 9204280 HTSAQKXYYUISPZ-UHFFFAOYSA-N 376.275 4.946 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 9220567 UHSRAICHCVBSAA-MRXNPFEDSA-N 383.451 4.796 0 40 GJAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1nnc(-c2cccs2)o1 9365160 CNKONHLWQCZGRM-LLVKDONJSA-N 396.501 4.640 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)CCc1ncc(-c2ccccc2)o1 10192946 NQWMAWAIAGYSIV-UHFFFAOYSA-N 375.472 4.822 0 40 GJAB O=C(NC1CCCCC1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134079 AHXZITQBASLRFW-UHFFFAOYSA-N 378.516 4.537 0 40 GJAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3C2)cc1 12407502 IKWWYWAQMYAQTI-QKLQHJQFSA-N 377.532 4.995 0 40 GJAB O=c1c2ccccc2nc(/C=C/c2cccnc2)n1-c1ccc(OC(F)F)cc1 12545156 SUZFQVIKXDQZLU-KPKJPENVSA-N 391.377 4.553 0 40 GJAB COc1ccc(C)cc1NC(=O)c1c(-n2cccc2)sc2c1CCSC2 12927105 MACZVOKBRIPPJS-UHFFFAOYSA-N 384.526 4.897 0 40 GJAB CCc1cccc(CC)c1-n1c(SCc2ccc(C)cc2)nc(O)cc1=O 13129363 FRWLQDJZEUZYJB-UHFFFAOYSA-N 380.513 4.664 0 40 GJAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 13708404 FOHWIQUQGYRRQO-GOSISDBHSA-N 379.525 4.965 0 40 GJAB CC(C)c1ccc(NC(=O)Cn2cnc3c(sc4cccc(F)c43)c2=O)cc1 17113661 MQMZCJGRJNOQIA-UHFFFAOYSA-N 395.459 4.512 0 40 GJAB O=C(CCCn1ccnc1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 19292631 VSNDYIACKPLPSC-UHFFFAOYSA-N 395.315 4.656 0 40 GJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc(C(=O)O)ccc1Cl 20144507 NPKKPNHAWGAWOB-UHFFFAOYSA-N 388.634 4.671 0 40 GJAB COc1ccccc1-n1c(C)c(C)c2c1ncn1nc(-c3ccc(C)cc3)nc21 21801244 VCDBWUXFXQNDDH-UHFFFAOYSA-N 383.455 4.669 0 40 GJAB Cc1ccc(-n2ncc(C(=O)N(C)Cc3ccc(Br)cc3)c2C)cc1 24864936 HNLGFGSHOXIBML-UHFFFAOYSA-N 398.304 4.524 0 40 GJAB COc1cccc(NC(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)c1 32610711 RKOSXYIMSGZIML-UHFFFAOYSA-N 391.258 4.891 0 40 GJAB O=C(COc1cccc(-c2noc(-c3ccccc3F)n2)c1)Nc1ccccc1 33327349 YEPUVYBNAOTOTI-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1ccc(OC)cc1OC 35291435 HGKAZULRPOBUCL-UHFFFAOYSA-N 396.512 4.854 0 40 GJAB COc1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 38834193 QQPZPMHDCXKWRE-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB CCc1ccc2nc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)sc2c1 40119794 ZYNOCGTXTYPLSF-UHFFFAOYSA-N 380.498 4.959 0 40 GJAB CCN(CC)CCC[C@@H](C)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 42538978 DJWIFUUBBPDEHG-MRXNPFEDSA-N 391.943 4.554 0 40 GJAB Cc1ccc(Sc2ccc(NC(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)cc2)cc1C 48288170 NDTMPTKFDSYKKL-NHCUHLMSSA-N 377.513 4.930 0 40 GJAB CC(C)(C)[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1cccs1 48312934 BEHIIRUEJAXYJB-GOSISDBHSA-N 385.533 4.893 0 40 GJAB CN(C)C(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1Cl 56436099 UOOTVBNXANMMQD-UHFFFAOYSA-N 393.874 4.720 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccnn2Cc2ccsc2)cc1 57896145 MZKNANXEMPOVCT-UHFFFAOYSA-N 398.488 4.592 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2C)cc1 79104918 JSVXICPJADPCID-UHFFFAOYSA-N 384.476 4.922 0 40 GJAB Cc1ccccc1NC(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 90607155 DKUZNUBYUYPJJL-UHFFFAOYSA-N 375.476 4.690 0 40 GJAB Cc1cccc(NC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)c1 96037484 QEEDIBBNUDDKNO-QHCPKHFHSA-N 388.515 4.511 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)C[C@@H](c2ccc(F)cc2)C1 102565944 DPQQUCSFXSWGNQ-ODXCJYRJSA-N 396.372 4.761 0 40 GJAB O=C1[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C(=O)N1c1ccc(Br)cc1 102622273 CEDCQJIFBBYFNV-QGTPRVQTSA-N 384.273 4.522 0 40 GJAB Cc1ccc(N2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)cc1 219864959 FNOFWOZHGYSCMY-JOCHJYFZSA-N 392.543 4.938 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(C(=O)OC)c1C 223018353 CNNNBEHLLNFIRX-SFHVURJKSA-N 375.852 4.540 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC(C)C)c1ccccc1 223408007 CHCLFRLZSWXQAV-NRFANRHFSA-N 386.923 4.592 0 40 GJAB O=C(COc1ccc2c(c1)CCCC2)NCCSCc1cccc(Cl)c1 224698359 KOQHPIGWSSVRBL-UHFFFAOYSA-N 389.948 4.647 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1C1CCCC1 225030220 QZDGPIKWBNRVPC-NHCUHLMSSA-N 380.561 4.913 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc2c(c1)CCCC2 225743814 WGINVCNLAOVIRG-OAQYLSRUSA-N 379.500 4.671 0 40 GJAB O=C1CN(C(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2N1 225778627 NYRJYKBPPCZLNM-UHFFFAOYSA-N 392.842 4.518 0 40 GJAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2cccnc12 225873958 OHUXZCPOLIUNBC-UHFFFAOYSA-N 390.483 4.629 0 40 GJAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)cc2sc(N)nc12 226311860 XEHJYAHOVPQLGQ-UHFFFAOYSA-N 382.272 4.511 0 40 GJAB Cc1ccccc1COc1c(Cl)cc(-c2nnc(N)o2)cc1Br 226341904 FTQYPYIFARJNKF-UHFFFAOYSA-N 394.656 4.622 0 40 GJAB CCCOC(=O)c1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 408729199 BGTTUWRWJXXKMB-HKWRFOASSA-N 391.467 4.895 0 40 GJAB CCOc1c(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cccc1OC 409325403 YLPQFQHZGGXBNP-WJDWOHSUSA-N 389.860 4.988 0 40 GJAB CCSc1ccccc1C(=O)NC[C@H](c1cccs1)n1nc(C)cc1C 585148120 LDLYBIAVHLHSSS-QGZVFWFLSA-N 385.558 4.693 0 40 GJAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)C2)c1 585271278 VUOWLNUDRNOZMW-JOCHJYFZSA-N 384.907 4.536 0 40 GJAB CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C(=O)OC)C1 673070 DDXJITIZXXEGJW-HJTPGIPUSA-N 387.476 4.841 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1c[nH]c2ccccc12 774701 PZNHZFRUEOCECA-UHFFFAOYSA-N 379.847 4.757 0 40 GJAB O=S(=O)(c1ccccc1)N1CC[C@@]2(Cl)CCCC[C@H]2[C@@H]1c1ccccc1 937953 OMYLBMBYGSSHCP-ACRUOGEOSA-N 389.948 4.990 0 40 GJAB Cc1cc(=O)oc2cc(Oc3nc(-c4cccnc4)nc4ccccc34)ccc12 952954 JRTCXMRYACWFNZ-UHFFFAOYSA-N 381.391 4.899 0 40 GJAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc2ccccc2c1 1263714 GXLWXLJHKCABGE-UHFFFAOYSA-N 381.457 4.715 0 40 GJAB COc1ccccc1CNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 1324376 XQQIDAHHZQBIHT-UHFFFAOYSA-N 394.471 4.829 0 40 GJAB CCCn1c(SCc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)cc1=O 1403060 HZAXPPUQBUAFAN-UHFFFAOYSA-N 396.356 4.983 0 40 GJAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Cl)cc(Cl)c32)cc1 2403690 RCBSLGYKWUKEOK-IBGZPJMESA-N 378.255 4.530 0 40 GJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccccc3C)oc12 2951365 RMTJGOMRVGJOAB-ATJXCDBQSA-N 391.452 4.691 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)NC3CCCCCC3)s2)c(C)c1 3319292 VWTFJSUNBFMSAL-UHFFFAOYSA-N 390.578 4.830 0 40 GJAB CCOC(=O)c1sc(NC(=O)c2ccccc2Oc2ccccc2)nc1C 4070007 VJZZCDZQSYZMIS-UHFFFAOYSA-N 382.441 4.673 0 40 GJAB O=C(Nc1nc2c(Br)cccc2s1)c1ccc2ncsc2c1 4325846 AZSGHBVPAMDJNN-UHFFFAOYSA-N 390.287 4.921 0 40 GJAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccc(Br)cc3)[nH]c2c1 4406451 MQKNJZBCMHRWOZ-JTQLQIEISA-N 391.290 4.698 0 40 GJAB CCOc1ccc([C@@H]2C[C@@H](c3cccc4ccccc34)n3nc(N)nc3N2)cc1 4685337 XWZYOVNVBZESSJ-SFTDATJTSA-N 385.471 4.559 0 40 GJAB COc1ccc(OC)c(NC(=O)c2ccc(CSc3ccccn3)cc2)c1 4740031 HIGHJJPWLWDJDF-UHFFFAOYSA-N 380.469 4.643 0 40 GJAB COc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3cc(C)ccn23)cc1 4790902 ZDTPNDSGJFWVAU-UHFFFAOYSA-N 375.403 4.710 0 40 GJAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cn2ccccc2n1 5253753 DWYVQXDPVRVWSL-HSZRJFAPSA-N 395.418 4.597 0 40 GJAB CC(C)c1n[nH]c(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1 6201254 QUZZQVHSBDNJLH-CQSZACIVSA-N 382.489 4.840 0 40 GJAB CCOC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1 6551435 BBVABHZRKAUINC-UHFFFAOYSA-N 375.424 4.548 0 40 GJAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1 6680377 SSDTUJFEYDHVQN-MRVPVSSYSA-N 399.328 4.959 0 40 GJAB COc1ccc([C@H](CNC[C@H](O)c2ccccc2)c2c[nH]c3ccccc23)cc1 6786513 SSWOZXOGJWKESZ-DHLKQENFSA-N 386.495 4.632 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccc(F)c1)c1ccccc1 6837889 AAIXLMUZPGLABN-OAQYLSRUSA-N 393.414 4.680 0 40 GJAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)c1 7236834 JBIZGPOTNZSQJA-MRXNPFEDSA-N 380.513 4.958 0 40 GJAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 7799573 QBUDCOBORSZKHR-CQSZACIVSA-N 390.512 4.527 0 40 GJAB CSc1ccccc1NC(=O)[C@@H](C)N1CCC(c2nc3ccccc3o2)CC1 7982663 OWORCXYGNKNVCD-OAHLLOKOSA-N 395.528 4.756 0 40 GJAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(OCc2ccccc2)cc1 8076529 SAJNLJVYRCIVMX-UHFFFAOYSA-N 386.451 4.645 0 40 GJAB COc1ccc2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)ccc2c1 8186482 FLNAQYRDCVEXEV-OAQYLSRUSA-N 389.451 4.597 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1 8475429 UZMDLZLHGAMUFM-MRXNPFEDSA-N 384.435 4.886 0 40 GJAB COc1ccc(-c2noc(CSc3cc(C)c4ccccc4n3)n2)cc1OC 8721297 FSRWSGUSBOMWOY-UHFFFAOYSA-N 393.468 4.903 0 40 GJAB Cc1sc2nc([C@@H](C)Sc3nnc(NC(C)(C)C)s3)[nH]c(=O)c2c1C 8941761 LSKYUTROFGOLKQ-SECBINFHSA-N 395.579 4.517 0 40 GJAB CC[C@@H](C)[C@H](C(=O)OCC(=O)Nc1cccc2ncccc12)c1ccccc1 9513709 LHFPSJMPZKYFQA-ZHRRBRCNSA-N 376.456 4.546 0 40 GJAB CCn1c(C)cc2cc(NC(=O)c3nn4c(C)cc(C)nc4c3Cl)ccc21 12148372 YPTIHYSXIGCNEQ-UHFFFAOYSA-N 381.867 4.535 0 40 GJAB Cc1nn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ccnc2c1-c1cccs1 12154327 RKLZMOKIYRWGNT-OAHLLOKOSA-N 398.532 4.881 0 40 GJAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ncoc1-c1cccs1 12338284 VQFSEYBKKUATLR-UHFFFAOYSA-N 385.445 4.842 0 40 GJAB O=C(CCC1CCCCC1)NC(N1CCCCC1)(C(F)(F)F)C(F)(F)F 12363152 ZIRUXFNNMZIEDJ-UHFFFAOYSA-N 388.396 4.770 0 40 GJAB COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OCc1cccc(F)c1 12371678 SLPSCYDVONNXRZ-INIZCTEOSA-N 383.444 4.949 0 40 GJAB COc1ccc(C(=O)[C@H](CC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 12531169 NUXOVBJNFIOXIT-IBGZPJMESA-N 384.435 4.811 0 40 GJAB Cc1ccc(N2C(=O)/C(=C/Nc3cccc(C)n3)c3ccccc3C2=O)c(C)c1 12651972 HPMAEJJNXBJVNO-XSFVSMFZSA-N 383.451 4.647 0 40 GJAB C[C@@H](NCc1ccccc1CN1CCCC1)C(=O)Nc1cccc2ccccc12 12872260 VGTPNPCGKPJDOH-LJQANCHMSA-N 387.527 4.552 0 40 GJAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 13022972 XXTOTSXJIKMAEQ-UHFFFAOYSA-N 384.888 4.926 0 40 GJAB Cc1ccccc1[C@H](C)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 13071620 HYZGASFQIMKVHW-IBGZPJMESA-N 399.494 4.801 0 40 GJAB CCn1c(-c2cccs2)nn(CN(C)Cc2ccc(Cl)cc2)c1=S 13073772 RJPJBXVWXOYSEJ-UHFFFAOYSA-N 378.954 4.905 0 40 GJAB O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1cc(Cl)sc1Cl 14086170 SLZXZYRMFHDASZ-UHFFFAOYSA-N 380.362 4.550 0 40 GJAB CC(C)(C)c1ccc(C(=O)Nc2cnc3sc4cc(F)ccc4n3c2=O)cc1 14291543 JGPCEOAVNVJTDK-UHFFFAOYSA-N 395.459 4.598 0 40 GJAB O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 17178175 QDZJVHUUKLOBBP-UHFFFAOYSA-N 388.442 4.600 0 40 GJAB O=c1oc2ccc(Cl)cc2n1[C@H]1CCCN(Cc2ccc3ccccc3n2)C1 19376327 AYIMCDUANAPSQZ-SFHVURJKSA-N 393.874 4.633 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(SC)cc1 20029965 RLIGNHXQIJWINF-LBPRGKRZSA-N 385.938 4.500 0 40 GJAB O=C(O)c1ccc(CNC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 20140094 VWNDULZQEKEFSI-UHFFFAOYSA-N 390.222 4.882 0 40 GJAB CC(C)c1nc2nc(SCc3ccccc3)nn2c(N)c1-c1cccs1 20676212 WTPSKKYSIIUEAG-UHFFFAOYSA-N 381.530 4.851 0 40 GJAB CCOc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 22502739 QSKZWGAVYOOJAS-UHFFFAOYSA-N 381.476 4.665 0 40 GJAB CCCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2CC)c2ccccc12 31904033 MBCRYRMWAVRUKP-QGZVFWFLSA-N 375.534 4.972 0 40 GJAB Cc1ccc([C@H](NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c2cccs2)cc1 32795339 YVKIOXOUFYJENN-VFNWGFHPSA-N 394.496 4.935 0 40 GJAB CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 32915579 NYWFMBQIPGDBOD-UHFFFAOYSA-N 394.397 4.687 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 32999415 LYPYOQPGWGPARH-CQSZACIVSA-N 376.456 4.722 0 40 GJAB C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C 46084630 CVNYHSDFZXHMMJ-OGIXOUOVSA-N 390.564 4.686 0 40 GJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cccc(C)c1 82086724 JNZCHPLJZBPFPO-QFIPXVFZSA-N 391.515 4.887 0 40 GJAB O=C(NCc1ncc(-c2ccccc2)o1)N1CCCCC[C@@H]1c1ccncc1 84563031 AZOUZJKKGGFWQV-LJQANCHMSA-N 376.460 4.564 0 40 GJAB C[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccco1 87492698 SQABQJLRVRSSQA-AWEZNQCLSA-N 377.396 4.508 0 40 GJAB O=C(NCc1ccc(C(=O)c2cccs2)s1)c1cccc(C(F)(F)F)c1 90610577 ZXPGGHHZEDQFJM-UHFFFAOYSA-N 395.427 4.989 0 40 GJAB COc1ccc(-c2csc(C3=C(O)CN(c4ccccc4OC)C3=N)n2)cc1 102717907 DEGRBEWUSDGEBK-UHFFFAOYSA-N 393.468 4.594 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc2ccccc12 218915224 MSRCKZGWLRJSNI-FQEVSTJZSA-N 391.467 4.646 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 222971537 UTPKTRRMHJKICW-UXHICEINSA-N 397.515 4.888 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccccc1OC 224240665 VDRYKHFNNYGSSF-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)[nH]1 224258196 QSTWWBXKZXKYAE-RTWAWAEBSA-N 376.529 4.820 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NCC(C)C 224844291 LZRFMWFRZXBPHS-KRWDZBQOSA-N 387.351 4.673 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225830127 BGODBOOSHPEWPM-GOSISDBHSA-N 399.494 4.960 0 40 GJAB COc1c(C(=O)Nc2ccc(N)cc2C)cc2ccccc2c1Br 227144960 CYADDUTYKOVVSI-UHFFFAOYSA-N 385.261 4.754 0 40 GJAB O=C(c1cc(Cl)ccc1Cl)N1CCC(Oc2ccncc2Cl)CC1 253473816 YTRIEVYOJOMSNE-UHFFFAOYSA-N 385.678 4.725 0 40 GJAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1ccc(F)cc1 257224255 FAYZOCWTBNUKTR-UHFFFAOYSA-N 382.435 4.792 0 40 GJAB Cc1nc2c(n1C(C)C)CN(CC1CC1)CC21CCN(Cc2ccccc2)CC1 306136214 PNAKXLPHIRZKCD-UHFFFAOYSA-N 392.591 4.532 0 40 GJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 408621933 MVTQNFRQDPQKCE-UHFFFAOYSA-N 395.286 4.976 0 40 GJAB O=C1CC[C@H](c2cccc(NC(=O)N[C@H]3CC[C@H](c4cccc(Cl)c4)C3)c2)N1 563576501 PQCHSRAXYHSOBC-RYGJVYDSSA-N 397.906 4.749 0 40 GJAB C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CC[C@@H](C)O1 663419397 QONBTPXMRMQLDK-LQWHRVPQSA-N 391.515 4.509 0 40 GJAB O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)N1CCC12CCOCC2 683418375 IORVVMNWKOMEHY-UHFFFAOYSA-N 388.870 4.611 0 40 GJAB Cc1cccc(-c2cccc(CNC(=O)N[C@H]3COc4cc(F)ccc4C3)c2)c1 1563897152 QMGLFQJXQZHGAU-JOCHJYFZSA-N 390.458 4.604 0 40 GJAB CCOc1cc(/C=C2\N=C(C)OC2=O)cc(Cl)c1OCCc1ccccc1 679171 QSTBXAQZUKEGNL-PDGQHHTCSA-N 385.847 4.676 0 40 GJAB Cc1ccc(NC(=O)COc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1 1473347 QJELWXSSSGPXFN-UHFFFAOYSA-N 388.467 4.598 0 40 GJAB CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccc(Cl)cc4)c(=O)c23)C1 1784980 MOIMTCOQTWOHBG-ZDUSSCGKSA-N 387.936 4.706 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(Cc1ccco1)C3=O 2440094 DUXITLWMNVUUFO-FQEVSTJZSA-N 389.382 4.579 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 3264286 JNBVEBXHXLVWAY-NSHDSACASA-N 381.259 4.697 0 40 GJAB O=C(Nc1ccccc1C(=O)OCc1cccc(C(F)(F)F)c1)c1ccco1 3483862 WOLJVMKULKTDDO-UHFFFAOYSA-N 389.329 4.908 0 40 GJAB O=C(NCCCc1nc2ccccc2n1Cc1ccccc1)C1CCCCC1 4385000 ZRGCHMVIJBAELL-UHFFFAOYSA-N 375.516 4.714 0 40 GJAB Cc1cccc(C(=O)N(Cc2ccco2)Cc2cc3ccc(C)cc3[nH]c2=O)c1 4540649 OGUQZDNNVSRLOU-UHFFFAOYSA-N 386.451 4.581 0 40 GJAB CC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 4816683 NQIXQQBPOCKYCC-ROUUACIJSA-N 387.270 4.672 0 40 GJAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 4910732 WWPTZBOIJPEFAL-INIZCTEOSA-N 381.907 4.852 0 40 GJAB C[C@H]1Sc2nnc(-c3ccc(Cl)cc3)n2N=C1c1ccc(Cl)cc1 6409352 SCATUTLNTCRTTF-SNVBAGLBSA-N 375.284 4.999 0 40 GJAB Cc1c(/C=C2/C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cnn1C 6527499 SGZGWFBJNFOJSO-BGKZMIQDSA-N 392.543 4.823 0 40 GJAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc2c(F)cccc2s1 6821545 DRBAAYCMGCGPCC-UHFFFAOYSA-N 390.867 4.783 0 40 GJAB Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(F)cc1)SCC(O)=N2 6921890 NSOSGJVRLNYHNF-YJBOKZPZSA-N 389.496 4.885 0 40 GJAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N[C@H](C)c4ccco4)sc32)cc1 7244122 OYZBOMXBELXFDZ-OAHLLOKOSA-N 379.485 4.847 0 40 GJAB CCCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 7262306 CRTVMEJNGDWTHL-UHFFFAOYSA-N 382.273 4.675 0 40 GJAB Cc1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 7670176 ZWXXMWFIMFWAHT-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)ccc1O 7883953 QISAVLWKUPICBU-QHCPKHFHSA-N 388.467 4.866 0 40 GJAB COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl 8471295 ISPNLVPQNVQXQW-HNNXBMFYSA-N 396.314 4.850 0 40 GJAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1 8606867 YVLKCSHDPMZLOO-CQSZACIVSA-N 381.473 4.723 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1C 8673507 YHOKTHQFFQNLSA-KRWDZBQOSA-N 378.472 4.618 0 40 GJAB CC(=O)Nc1ccc(OCCOc2ccc(Cl)cc2Br)cc1 8852184 MIRADFASXPTGQS-UHFFFAOYSA-N 384.657 4.519 0 40 GJAB O=C(c1cc(Cl)c2c(c1)OCO2)N(Cc1ccco1)Cc1cccs1 9512566 SQJYTRRPICTYRS-UHFFFAOYSA-N 375.833 4.566 0 40 GJAB Cc1cc(C)c2c(C)c(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)sc2n1 10057326 BGOCCJJVZOZXAU-UHFFFAOYSA-N 390.512 4.679 0 40 GJAB Cc1nc(SCC(=O)N2CCc3sccc3C2)n(C2CCCCC2)c1C 10989706 CDXWDLQXMNEPLL-UHFFFAOYSA-N 389.590 4.744 0 40 GJAB CC(C)Cc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 11182177 AVFHWNBANXKXHK-UHFFFAOYSA-N 376.456 4.912 0 40 GJAB CCCSc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1Cl 12544512 GZJGAWOEEUMUMX-UHFFFAOYSA-N 377.872 4.970 0 40 GJAB O=S(=O)(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 12648345 YIUIPXDHCVQSNN-UHFFFAOYSA-N 383.860 4.684 0 40 GJAB CSc1cccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c1 12923112 PCEXTVYHOGRNGV-UHFFFAOYSA-N 384.526 4.934 0 40 GJAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)/C=C/c1ccc(Cl)cc1Cl 13006107 YFBMEYNKBCQPLY-SXAWMYDMSA-N 389.282 4.636 0 40 GJAB COc1ccccc1-n1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1 13162967 UVEMBFOZCOUMQL-VHXPQNKSSA-N 386.476 4.956 0 40 GJAB CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(Br)c1 14002527 NHDKJEJENLHSJG-UHFFFAOYSA-N 382.685 4.991 0 40 GJAB CC(C)[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1 15183066 GYVBCQUILYXCQA-LJQANCHMSA-N 385.533 4.506 0 40 GJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)c(OC)c1 15953694 HHQJJPINVCIKAC-ICDZXHCJSA-N 395.543 4.881 0 40 GJAB biogenic O=C(COC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc2ccccc2c1 16545775 ZGPWAAFNLGXLKX-UHFFFAOYSA-N 399.402 4.725 0 40 GJAB CCOP(=O)(OCC)c1nc(-c2ccco2)oc1NCc1ccc(F)cc1 16749872 MKMYOOZAFVKKEA-UHFFFAOYSA-N 394.339 4.577 0 40 GJAB O=C(Nc1ccccc1CN1CCCCCC1)c1ccccc1Cn1ccnc1 19349807 QZXSPAZPWJETEL-UHFFFAOYSA-N 388.515 4.560 0 40 GJAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)n1 19690731 YIZJLEHOZMFMGD-QHCPKHFHSA-N 392.524 4.724 0 40 GJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccccc3OC)sc2c1 20411412 QQJQTAWVLFJKLG-UHFFFAOYSA-N 384.457 4.514 0 40 GJAB CCOC(=O)c1cc(NC(=O)CCSc2ccc(C)cc2)ccc1Cl 20486271 NYOZUCVYVNAAGH-UHFFFAOYSA-N 377.893 4.946 0 40 GJAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Oc2ccc(F)cc2)cc1 24060705 NPDAWSMZKBCOIE-UHFFFAOYSA-N 377.419 4.866 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@H](c1ccccc1Cl)N1CCCC1 27664528 USMMALJUXLXELA-HSZRJFAPSA-N 392.930 4.989 0 40 GJAB CCc1cccc(C)c1NC(=O)CSCC(=O)Nc1c(C)cccc1CC 28183650 NRMVQAGHIPOHHT-UHFFFAOYSA-N 384.545 4.739 0 40 GJAB CCn1nc(C)c2c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc(C)nc21 28240052 CWTZHZNPYADJKP-UHFFFAOYSA-N 396.800 4.993 0 40 GJAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1 32759953 JUTPCJNPEDRWSE-QFIPXVFZSA-N 385.467 4.674 0 40 GJAB CCC(=O)c1ccc(OCc2cc(=O)oc3cc(Br)ccc23)cc1 32859679 XWSDTYJLFBNOOM-UHFFFAOYSA-N 387.229 4.727 0 40 GJAB Cc1ccc2[nH]c(CSCC(=O)Nc3ccc(C(C)C)cc3)cc(=O)c2c1 33064010 MACIZHRWTJNZBK-UHFFFAOYSA-N 380.513 4.832 0 40 GJAB Cn1ncc2c(C(=O)N(C3CCCCC3)C3CCCCC3)cc(C3CC3)nc21 36615961 CMTDBXXDOZMBAW-UHFFFAOYSA-N 380.536 4.953 0 40 GJAB Cc1ccc(-c2noc3nc(-c4ccccc4)cc(C(=O)NCC(F)F)c23)cc1 36618380 ARDQTTRKEXSMLO-UHFFFAOYSA-N 393.393 4.860 0 40 GJAB CCCSc1nnc(NC(=O)c2c(C)noc2-c2ccc(Cl)cc2)s1 41097861 DSBTXOJCULXWEO-UHFFFAOYSA-N 394.909 4.909 0 40 GJAB O=C(CCSc1ccccc1)N1CCC(Oc2nc3ccccc3s2)CC1 49430668 KBESIUVRYQKZLW-UHFFFAOYSA-N 398.553 4.849 0 40 GJAB O=C1N[C@H](c2c[nH]c3ccccc23)Nc2c1sc(=S)n2-c1ccccc1 59459469 XIEKVDIMDIQPNU-MRXNPFEDSA-N 378.482 4.604 0 40 GJAB CN(C(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(F)c(F)c1 65504712 DJGJCUBKVAYZGV-UHFFFAOYSA-N 378.422 4.804 0 40 GJAB O=C(N[C@H]1CCCCCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 72481801 WWGXOZWLVAOLTC-UNMCSNQZSA-N 393.483 4.949 0 40 GJAB COCCOc1c(Cl)cccc1NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 79067886 CMZZNRGOIPCWMV-QGZVFWFLSA-N 395.286 4.998 0 40 GJAB C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 89573773 MUCHPCQWZXMTIE-OAHLLOKOSA-N 376.412 4.647 0 40 GJAB O=C(CCSc1ccccc1)NCc1ccc(C(=O)c2cccs2)s1 90610575 RWAXCTNPSICCKJ-UHFFFAOYSA-N 387.551 4.839 0 40 GJAB COc1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc1 102745362 UODLIRVHFIKOSS-SGTLLEGYSA-N 394.456 4.769 0 40 GJAB Cc1ccccc1NC(=O)/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1 215738768 XXWRODJYZCKHTD-NBVRZTHBSA-N 391.858 4.704 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 223007277 HUSRDFIMCPTDMY-GOSISDBHSA-N 375.852 4.621 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)cc(C)c1Cl 223438368 FMVAXGGHUOHPQQ-GFCCVEGCSA-N 399.969 4.962 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 225263014 KWFIAMIEUKTSBF-UHFFFAOYSA-N 384.439 4.749 0 40 GJAB CCC1(CC)C[C@H](NC(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1 225521865 LPTAITHWFCKMEQ-FQEVSTJZSA-N 392.499 4.626 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225808204 CXTUPYUEYCBGAX-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CCOCCOc1ncc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225860687 FQHLSRBSKPANCR-UHFFFAOYSA-N 382.504 4.564 0 40 GJAB Fc1cc(Br)ccc1NC(=S)NC1(c2ccncc2)CCCC1 225861119 GJBGHOULASHHQM-UHFFFAOYSA-N 394.313 4.739 0 40 GJAB CCCOc1cccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)c1 408628623 VMRLMTAMCNMDHH-UHFFFAOYSA-N 399.541 4.829 0 40 GJAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 408628902 XTXZMWBPXVOBNX-UHFFFAOYSA-N 397.544 4.591 0 40 GJAB Cc1ccnc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)cc2)n1 1534815374 FWFWGPZYDFVJFD-RBUKOAKNSA-N 379.847 4.973 0 40 GJAB Fc1cnc(Cl)cc1-c1nc(-c2cccc(OCc3cccnc3)c2)no1 1615612602 IZIMOJODWIROIQ-UHFFFAOYSA-N 382.782 4.565 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 901907 RRBKVTOSOACLBE-VXGBXAGGSA-N 399.438 4.637 0 40 GJAB Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nc1cc(Cl)ccc1Cl 970389 NKZLIIMPZVGWCV-UHFFFAOYSA-N 393.057 4.966 0 40 GJAB Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)o2)cc1 980772 WWOSYJCEUVYUFS-CPNJWEJPSA-N 390.464 4.832 0 40 GJAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc3ccccc3c2)NC(=O)N1C 1044187 JTIDVMXRZJPWEW-JOCHJYFZSA-N 386.451 4.553 0 40 GJAB biogenic Cc1ccc2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1 1352746 TXCLGJMICLKDFR-UHFFFAOYSA-N 393.462 4.952 0 40 GJAB CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc(C)cc4)n3)ccc21 1366568 WNPGOCNKHZGXPX-UHFFFAOYSA-N 391.496 4.670 0 40 GJAB Cc1nc(C(=O)Nc2ccc(Cl)cc2)nn1-c1cc(Cl)cc(Cl)c1 1385710 AYCOQRLKUBTCSE-UHFFFAOYSA-N 381.650 4.788 0 40 GJAB COc1ccc(OCCCSc2nnc3cc(C)c4ccccc4n23)cc1 1924349 YXCGOWLZJZQTIE-UHFFFAOYSA-N 379.485 4.761 0 40 GJAB CCCC[C@](CCC(=O)O)(C(=O)OCC)c1csc(Nc2ccccc2)n1 2196647 BQBLDUOCIMPGKJ-HXUWFJFHSA-N 390.505 4.743 0 40 GJAB CCN(CC)c1ccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)cc1 2271321 BCRXIVXQJQLHAT-UHFFFAOYSA-N 383.495 4.823 0 40 GJAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(F)cc1 2627200 ZCNSNAWXXSIHIT-UHFFFAOYSA-N 375.355 4.674 0 40 GJAB Cc1c(Br)c(C(F)F)nn1[C@@H](C)C(=O)N(CC(C)C)CC(C)C 2775028 CTGSEUVMGZPADA-LBPRGKRZSA-N 394.304 4.593 0 40 GJAB CCOc1ccc(-c2csc(NC(=O)CC(C)(C)C)c2C(=O)OC)cc1 2889806 XFMABZFIZCUQBX-UHFFFAOYSA-N 375.490 4.975 0 40 GJAB Brc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 3584854 GVPDMXCOASGELA-UHFFFAOYSA-N 380.039 4.929 0 40 GJAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cccc(C(F)(F)F)c1 4033031 QZSMQXBVINGUES-UHFFFAOYSA-N 382.345 4.667 0 40 GJAB CCCSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 4079406 PLKWIGFTASHNTD-UHFFFAOYSA-N 392.731 4.708 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1nnc(-c2ccccc2Cl)o1 4275935 RXTILRQUVOQWLP-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@H](CC)C2 4558278 JXICJJGQQREZGP-LBPRGKRZSA-N 375.465 4.831 0 40 GJAB CCN1C(=O)S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O 4570511 POWOCPYDLMBVAG-YBFXNURJSA-N 380.444 4.885 0 40 GJAB Cc1ccccc1-c1nc2c(Br)c(N)c(Br)cc2o1 5033062 GVFSAXRETFCLHY-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB CC(=O)c1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 5147323 CSRYHHAXKAIRSG-UHFFFAOYSA-N 393.443 4.586 0 40 GJAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc2c(s1)-c1ccccc1OC2 5304419 WWCQMEFNQWFPSS-UHFFFAOYSA-N 390.420 4.715 0 40 GJAB Cc1cc(NC(=O)c2ccc(Cl)cc2)c(C)cc1I 5538800 YRLNUMWUBLFXKA-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB COc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2C)cc1 5848623 SASPVRIPCIRAJA-UHFFFAOYSA-N 390.306 4.546 0 40 GJAB COc1cc(-c2nnc(CSc3ccc(Cl)cc3)o2)cc(OC)c1OC 5863221 YDIZEMUQLAXWIR-UHFFFAOYSA-N 392.864 4.708 0 40 GJAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)c1 6478747 BAGYNTFTDRMMJR-MHWRWJLKSA-N 388.286 4.994 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3Cl)s2)cc1 6623575 NZYJIOMMCFTADG-UHFFFAOYSA-N 390.921 4.974 0 40 GJAB Cc1nnc(S/C(=C\c2c(-c3ccccc3)[nH]c3c(C)cccc23)C(=O)O)[nH]1 6868254 FDNDHMCQWKRUIW-BOPFTXTBSA-N 390.468 4.788 0 40 GJAB Cc1ccc(OCCCCn2c(CCNC(=O)C(C)C)nc3ccccc32)cc1 7545432 MZFDAGAHRBDCKG-UHFFFAOYSA-N 393.531 4.519 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2)cc1OC 7651879 RXEJSSXGJYOVLM-UHFFFAOYSA-N 378.266 4.807 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(-c3ccc(Cl)cc3)no2)c1 7718682 HMGMZIMNUUNTFO-SFHVURJKSA-N 399.878 4.744 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1c(F)cccc1Cl 8051166 FZGMIKBTZWWEEN-KRWDZBQOSA-N 399.890 4.825 0 40 GJAB O=C(Nc1cccc(NC(=O)C(F)(F)F)c1)c1ccc(Cl)cc1Cl 8071244 XOYHMUVQLBFCCZ-UHFFFAOYSA-N 377.149 4.747 0 40 GJAB CCc1ccccc1NC(=O)COc1ccc(C(=S)N2CCC(C)CC2)cc1 8088345 WDRJYJYLVANXQH-UHFFFAOYSA-N 396.556 4.674 0 40 GJAB Cc1ccc(S(=O)(=O)[C@H](C)C(=O)c2ccc(OCc3ccccc3)cc2)cc1 8475335 QFBXOVFYYNRTEO-GOSISDBHSA-N 394.492 4.619 0 40 GJAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)cc1 9199512 PWIKWJLCRWAAEG-UHFFFAOYSA-N 396.516 4.509 0 40 GJAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(Oc2ccc(F)cc2)cc1 10765523 SVCPMZMICRKLFV-UHFFFAOYSA-N 393.414 4.596 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)s1 11513270 FEMWWPGCCAXTRZ-UHFFFAOYSA-N 380.292 4.590 0 40 GJAB Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2C)c2ccccn2)cc1 11914636 GQHLAIISMFSLOT-UHFFFAOYSA-N 380.875 4.964 0 40 GJAB Cc1ccccc1-n1nnnc1S[C@@H](C)c1nc2ccccc2n1C(F)F 12525186 APWHHEAMUSCRJI-LBPRGKRZSA-N 386.431 4.569 0 40 GJAB CC[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(C)cc1 12627939 QDCCHDCAVLJQKQ-QGZVFWFLSA-N 390.512 4.736 0 40 GJAB CCc1ccccc1Nc1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)s1 12734981 UXPFSGNAGVWJMS-CQSZACIVSA-N 398.557 4.988 0 40 GJAB Cc1cc(C)c(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c(Cl)c1 12822247 RLLSRSQNRHITFQ-UHFFFAOYSA-N 384.907 4.756 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1ccccc1SCc1noc(C)n1 12861126 KWNPLLQPDNTUGG-UHFFFAOYSA-N 389.864 4.585 0 40 GJAB Cc1cc(=O)oc2c(C)c(OCc3nc(-c4ccc(Cl)cc4)no3)ccc12 12982880 XVLPTBAKGDTTRQ-UHFFFAOYSA-N 382.803 4.692 0 40 GJAB C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CC[C@@H]2CCCC[C@@H]2C1 13096811 DUPBYVGQDLXOTE-FXUDXRNXSA-N 385.577 4.683 0 40 GJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc2cccnc12 14095740 KGFRIGDMHYEJBV-UHFFFAOYSA-N 384.464 4.792 0 40 GJAB CN1C(=O)[C@@H](Cc2ccc(C(F)(F)F)cc2)c2cc(Br)ccc21 15017829 PQDAFBBAXLXCLY-AWEZNQCLSA-N 384.195 4.771 0 40 GJAB COc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1 15352571 RUCJDVTXOAHTJX-UHFFFAOYSA-N 386.860 4.915 0 40 GJAB COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 15825722 DJHGSONUNBTTAR-UHFFFAOYSA-N 399.830 4.859 0 40 GJAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3ccccc3F)N1CC2 19550728 YQDRBIASGDVUCF-DNQXCXABSA-N 390.458 4.915 0 40 GJAB COc1cccc(-c2nc3c(s2)CN(C(=O)c2cc4ccccc4o2)CC3)c1 19719884 PXUSIHAOYYNMAV-UHFFFAOYSA-N 390.464 4.763 0 40 GJAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc2c(Br)cccc12 20139037 YWIZOCUKCCPKRV-UHFFFAOYSA-N 384.229 4.861 0 40 GJAB CCc1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(Br)c1 20485934 ULPKVLKZMNQAOD-SFHVURJKSA-N 388.305 4.584 0 40 GJAB CCn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c2cc(OC)ccc21 22235791 XLUFRCZPXCXIHU-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB Cc1ccc2nc(NC(=O)c3ccn(COc4ccccc4Cl)n3)sc2c1 28237290 SMBNBLUNDVVYSL-UHFFFAOYSA-N 398.875 4.743 0 40 GJAB CSc1ncc(Cl)c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 29600690 VDOQLKVBAWWNQT-UHFFFAOYSA-N 394.283 4.695 0 40 GJAB CCOC(=O)N[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 33637567 PJSKCZOFESPXGI-MRXNPFEDSA-N 380.366 4.521 0 40 GJAB COc1ccc(NC2(c3nnnn3-c3ccc(Cl)cc3)CCCCC2)cc1 35622723 RNYXUSMXXNNESO-UHFFFAOYSA-N 383.883 4.596 0 40 GJAB CCCCn1nc(C)c2c(C(=O)Nc3cccc(C(C)=O)c3)cc(C3CC3)nc21 36615831 OIUDGCJZOAMGFX-UHFFFAOYSA-N 390.487 4.872 0 40 GJAB Cc1csc(N(CC(F)(F)F)C(=O)c2cc(F)ccc2Br)n1 40157893 JMWRHPOKHPQSDZ-UHFFFAOYSA-N 397.191 4.562 0 40 GJAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1ccc(Cl)c(Cl)c1 45889055 GSOUPCLQAGUYJN-UHFFFAOYSA-N 381.288 4.758 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]3C=C[C@H]2C3)c(C)c1 100519852 ULDQHPQNJAAZIP-ZZTDLJEGSA-N 388.511 4.936 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 100898241 CYEABNJSCNPBIF-SOXBMFEASA-N 391.854 4.690 0 40 GJAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCS[C@H](c2ccccc2F)CC1 219076908 OXYYRTDHFNNMNT-KRWDZBQOSA-N 387.505 4.598 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222712217 ODQVNQRMADCROM-HRAATJIYSA-N 391.467 4.646 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCc1cccc(OC(C)C)c1 222967220 UHWXHODOGQMHBT-QFIPXVFZSA-N 383.532 4.997 0 40 GJAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1 224094116 CIBBPAHXFOYCHA-MRXNPFEDSA-N 379.431 4.904 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C)c(Cl)c1 224169716 GMXVCLLXZPKWFX-SFHVURJKSA-N 382.287 4.654 0 40 GJAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Br)cc1 224730885 QOJQLFSJULDZHW-UHFFFAOYSA-N 388.714 4.626 0 40 GJAB CC(C)C[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 225495630 OURWZOBVBOSBRI-HXUWFJFHSA-N 381.545 4.887 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)Cc2cccc(Br)c2)cc1 225619468 DRLWVDXCTBWGSA-UHFFFAOYSA-N 390.277 4.587 0 40 GJAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc2c(c1)CCCC2 225627755 LRIMQMIHGSULAS-UHFFFAOYSA-N 376.500 4.880 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3[C@H]3CCSC3)cc2n1 248193176 MVBIPXIGMVJCHG-SWLSCSKDSA-N 384.471 4.514 0 40 GJAB CC[C@@H](C)NC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 257197561 CVXLMOVLIANYNZ-GOSISDBHSA-N 381.516 4.616 0 40 GJAB Cn1cc(-c2ccc([C@@H]3CCCCN3Cc3ccnc4ccccc34)cn2)cn1 257207091 BGHBNJOQLQIAIC-DEOSSOPVSA-N 383.499 4.758 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260816739 PHJVMOVURMATTA-WMZHIEFXSA-N 390.568 4.721 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)c1 408597095 VRVVENMFMDVBDM-UHFFFAOYSA-N 377.307 4.501 0 40 GJAB Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(OCc3ccncc3)cc2)C1 575590525 SVPWCEBRTFJXRW-KNQAVFIVSA-N 386.495 4.987 0 40 GJAB CC1(O)CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 675319290 XPUBTAQMKFKIBZ-UHFFFAOYSA-N 381.907 4.540 0 40 GJAB CCn1nc(C)c(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c1C 1615529426 JJVNWZAWKZOVJJ-GCJKJVERSA-N 384.543 4.538 0 40 GJAB COc1c(C)cnc(CN2CCC(c3ccc4cc(Cl)cnc4n3)CC2)c1C 2086894029 QSDHRCFRFBMTKZ-UHFFFAOYSA-N 396.922 4.683 0 40 GJAB CCOC(=O)[C@H](CC)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 948949 SFGVMJRHTPQJRX-SFHVURJKSA-N 396.439 4.923 0 40 GJAB O=C(COC(=O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 986228 XINNWMAVYMYTSQ-UHFFFAOYSA-N 388.044 4.796 0 40 GJAB CCCc1ccc(OCc2ccc(C(=O)Nc3ccccc3C(=O)OC)o2)cc1 1083386 NHSWMDLSRPOYST-UHFFFAOYSA-N 393.439 4.850 0 40 GJAB aggregator COC(=O)c1sc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)nc1C 1414986 CXLCTDYZEQZNQQ-UHFFFAOYSA-N 390.848 4.712 0 40 GJAB COc1ccc2oc(=O)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2c1 2951570 MHOXJCHXICLZGZ-UHFFFAOYSA-N 397.736 4.726 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(SC)cc1OC 3294701 MDWNBNGHKAIFFC-AWEZNQCLSA-N 387.501 4.726 0 40 GJAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 3380270 WVWYRQDCESXBEM-UHFFFAOYSA-N 391.423 4.591 0 40 GJAB CCOC(=O)c1ccc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1 4137829 VMEZSVAYKOSPFM-UHFFFAOYSA-N 399.453 4.555 0 40 GJAB Cc1coc2cc3oc(=O)c(CC(=O)NCc4cccc(Cl)c4)c(C)c3cc12 4744239 PEHFVQRVMDXANS-UHFFFAOYSA-N 395.842 4.668 0 40 GJAB CCN(Cc1nc(-c2ccccc2)no1)C(=O)C(c1ccccc1)c1ccccc1 5423653 FEEXCWGFGPAUGI-UHFFFAOYSA-N 397.478 4.917 0 40 GJAB COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 5557483 NDIXYMOCSNMMQF-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB Cn1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc21 8164404 RTMHGRMGPNLOPT-UHFFFAOYSA-N 375.497 4.808 0 40 GJAB O=C(c1cnc2ccccc2n1)N(CCc1cccs1)Cc1cccs1 8313024 HHJLRNOLSMYSCF-UHFFFAOYSA-N 379.510 4.638 0 40 GJAB C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 8371237 VLNHVZGDKOEIFW-YBEGLDIGSA-N 386.454 4.550 0 40 GJAB CC(C)N(C(=O)CSc1ncccn1)c1ccc(Nc2ccccc2)cc1 9514302 CWIZRKCOWQHJGU-UHFFFAOYSA-N 378.501 4.754 0 40 GJAB Cc1cc(C)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2)c(-c2cc(C)n[nH]2)c1 12143785 QUJMZXHHIKIBOZ-UHFFFAOYSA-N 389.434 4.579 0 40 GJAB Cc1ccccc1-n1nc(C)c(CN(C)Cc2cc(O)nc3ccccc23)c1C 12188446 OXQRHQZKZBNSOO-UHFFFAOYSA-N 386.499 4.683 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC[C@H](C)C2)cc1C 12437936 JEIZCJHLJPUSNJ-INIZCTEOSA-N 394.540 4.921 0 40 GJAB COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1 13748554 OBGFJUBKIAZIOU-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB CN(C)c1ccc(-c2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn23)cc1 13956966 OTAKULTVLVRPAO-UHFFFAOYSA-N 390.299 4.893 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)NCC1(N2CCCCC2)CCCCC1 13986229 OXFJYGUJJOAQTB-UHFFFAOYSA-N 381.520 4.569 0 40 GJAB COc1ccc(C(=O)N2CCn3c4c(c5cc(C)ccc53)CCC[C@H]42)cc1OC 16348270 XAROLOJUFLXFSZ-HXUWFJFHSA-N 390.483 4.500 0 40 GJAB Cc1cc(Br)ccc1SCC(=O)N[C@@H]1CCc2ccccc21 16472410 OUHXSJDPASFVMS-MRXNPFEDSA-N 376.319 4.653 0 40 GJAB CCOC(=O)/C(=C\c1cccc(Br)c1)P(=O)(OCC)OCC 17197800 ZYLSBNIAPUNDLK-SDNWHVSQSA-N 391.198 4.619 0 40 GJAB OC1(c2ccccc2F)C[C@@H]2CC[C@H](C1)N2Cc1c(C2CC2)[nH]c2ncccc12 19347898 VZLCCSAUDQLNCF-LDSCYUJKSA-N 391.490 4.594 0 40 GJAB O=C1CCCc2c1c(Nc1ccc(F)cc1)nn2-c1nc2ccccc2s1 19817241 GTGXYBBYILPPHD-UHFFFAOYSA-N 378.432 4.884 0 40 GJAB CCSc1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 21000882 GNFLXZYFWATUKQ-UHFFFAOYSA-N 382.510 4.878 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1c(F)cccc1Cl 22510899 GQTMXSHIWJIXKH-SFHVURJKSA-N 395.927 4.995 0 40 GJAB CCCn1ccnc1SCC(=O)N1c2ccccc2CCc2ccccc21 25460344 KJBNIPFFRWGDIO-UHFFFAOYSA-N 377.513 4.849 0 40 GJAB O=C(Nc1ccc(F)cc1F)Nc1ccc(Br)c2cccnc12 27930250 BDTXAMUZOSLKOM-UHFFFAOYSA-N 378.176 4.920 0 40 GJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(=O)c2ccccc2o1 30317218 VLNADXURRCOIPN-NSHDSACASA-N 376.239 4.933 0 40 GJAB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 35040512 ZJXOPEAMDVWSEO-OVCLIPMQSA-N 389.885 4.752 0 40 GJAB O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36359117 UKJNJLQBZBSYET-JOCHJYFZSA-N 388.511 4.802 0 40 GJAB Cc1cc([C@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)c(C)s1 40074300 WKCQCBBAQZBVLQ-UGSOOPFHSA-N 392.952 4.650 0 40 GJAB O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2cc(F)ccc2F)s1 40139836 RVIVXWOUAZICGK-LCYFTJDESA-N 377.803 4.806 0 40 GJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1c(Cl)cccc1Cl 41001999 PUERIOTYQBQUDW-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB Cc1ccc(-c2n[nH]c(SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)n2)cc1 41108683 QYMFOXDQWSFDMV-UHFFFAOYSA-N 376.485 4.531 0 40 GJAB Cc1cc(OCC(=O)N(C)Cc2ccc(Cl)cc2)cc(C)c1Br 44903102 BPDBUNHPYCKHOU-UHFFFAOYSA-N 396.712 4.757 0 40 GJAB COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1 48365223 NPIIOVKSFAVMDE-IBGZPJMESA-N 388.305 4.754 0 40 GJAB COc1ccc(-c2csc(Nc3ccc(Br)cn3)n2)cc1OC 49006099 PUQPLFAALLQBTO-UHFFFAOYSA-N 392.278 4.728 0 40 GJAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1ccncc1)CO2 57122080 UAPFDGCOEDZHFW-UHFFFAOYSA-N 384.435 4.516 0 40 GJAB biogenic O=C(c1ccncc1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349179 LSZLDIOVRLZPEX-IBGZPJMESA-N 391.902 4.741 0 40 GJAB O=C(Nc1cccc(Cl)c1)NC1(c2nc(-c3ccncc3)no2)CCCCC1 77197432 PMWABODHOAKFHK-UHFFFAOYSA-N 397.866 4.766 0 40 GJAB FC(F)(F)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1Br 95080914 VATVXXPSJNGPJF-UHFFFAOYSA-N 399.254 4.790 0 40 GJAB COc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(OC)c1 98073344 MUHUZUQBXHNDTP-INIZCTEOSA-N 389.451 4.677 0 40 GJAB CC[C@H](C)c1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3nc(N)nc(O)c32)cc1 101660251 PJPSDOLCUOOKLE-YVEFUNNKSA-N 398.466 4.827 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 103718786 VJPAFJQYDNAOHO-GFCCVEGCSA-N 396.796 4.659 0 40 GJAB O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1cc(Cl)ccc1Cl 105462494 TUXLAAYHDLDIOQ-UHFFFAOYSA-N 393.295 4.780 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219369020 NBFMMDOUQYIUQG-WOJBJXKFSA-N 397.515 4.888 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1cccc(C)c1 222745746 FEPZVLZYMVLJEA-IBGZPJMESA-N 385.529 4.655 0 40 GJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1C(C)C 223322942 RFWHYAQOXXLKRQ-OAHLLOKOSA-N 395.952 4.961 0 40 GJAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 223932425 GIABIGMZKIRMLS-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1cc2ccccc2cc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 224477294 LHQMEELTAZGTDJ-UHFFFAOYSA-N 377.484 4.955 0 40 GJAB Cc1ccc(C(=O)N2CC[C@@H](Nc3ccccc3)[C@@H](Cc3ccccc3)C2)cn1 257233624 GQAHUUQEGHBUGL-LADGPHEKSA-N 385.511 4.576 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257292234 QKPKXCMVWHHDPN-IBGZPJMESA-N 381.863 4.600 0 40 GJAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1cccnc1)CCCC2 409119253 RYEXTZZLNRMSEV-UHFFFAOYSA-N 391.496 4.835 0 40 GJAB CC1(C)[C@@H](c2ccccc2)CCN1Cc1coc(-c2ccc(C(=O)O)cc2)n1 580206097 OVMOGEZBFJJCAZ-HXUWFJFHSA-N 376.456 4.808 0 40 GJAB Cc1ccccc1CN1CCC2(CC1)CC(Nc1cc(C(F)(F)F)ncn1)C2 2056225846 CXLDGQXPBMAHKT-UHFFFAOYSA-N 390.453 4.661 0 40 GJAB CCOc1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 646346 WRUPQELGTLLBDJ-UHFFFAOYSA-N 380.307 4.720 0 40 GJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(NC(C)=O)cc1 1312317 GTBAMIIQFBCHBX-FPYGCLRLSA-N 379.243 4.612 0 40 GJAB CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)Cc4cccs4)C3)n2)cc1 1360070 AQZVZTUZXDXDKD-SFHVURJKSA-N 395.528 4.870 0 40 GJAB O=C(c1cc(Sc2ccc(Cl)cc2)nc2ccccc12)N1CCOCC1 2456217 PGHCWVLEOXQSQG-UHFFFAOYSA-N 384.888 4.512 0 40 GJAB Fc1ccccc1-c1nn(CN2CCCCC2)c(=S)n1Cc1ccccc1 2655475 SKIOQUVWIPRXLK-UHFFFAOYSA-N 382.508 4.712 0 40 GJAB Cc1cc(Nc2nc3ccccc3nc2N2CCCCC2)n(-c2ccccc2)n1 3193556 UINWBHAEQORHOE-UHFFFAOYSA-N 384.487 4.858 0 40 GJAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cccc(Cl)c1 3221177 CIEZSWMVGOUKIL-SFHVURJKSA-N 394.298 4.881 0 40 GJAB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccccc1 3226298 CRXRFFVLJJNMCJ-UHFFFAOYSA-N 395.267 4.930 0 40 GJAB CCCCc1ccc(N2C3=[N+](CCCS3)C[C@@]2(O)c2ccc(C)cc2)cc1 3227243 GRQPNLXUMVAKQH-HSZRJFAPSA-N 381.565 4.508 0 40 GJAB O=C(COC(=O)c1ccccc1Br)c1cccc(C(F)(F)F)c1 3525571 JVILQUNABJRWAL-UHFFFAOYSA-N 387.151 4.508 0 40 GJAB CCN(C(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21)c1ccccc1 3648848 GQWUMKKPHQFOQC-UHFFFAOYSA-N 388.492 4.987 0 40 GJAB COc1ccc(CNCC[C@@]2(c3ccccc3)CCO[C@H](C(C)C)C2)cc1OC 4038286 HKZGFXRTZIEFRY-LOSJGSFVSA-N 397.559 4.957 0 40 GJAB biogenic O=C(CCSc1ccccc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 4107405 OFXMFHYOLJQQHV-UHFFFAOYSA-N 379.485 4.736 0 40 GJAB CCCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1 4501721 TXOJFVFNPSDYDE-UHFFFAOYSA-N 394.427 4.582 0 40 GJAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)c(OC)c1 5162441 MVSZIESXWTZSRG-HUVFLSCGSA-N 399.506 4.711 0 40 GJAB COc1ccc(C2=C/C(=C3/N=C(c4ccccc4)OC3=O)c3ccccc3O2)cc1 5353724 ZVDMDJCZXSTNFW-ATJXCDBQSA-N 395.414 4.843 0 40 GJAB COc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1Br 6230668 KXNAIPGMPSGYLF-UHFFFAOYSA-N 397.681 4.973 0 40 GJAB Cc1c(C(=O)O)sc2nc(/C=C/c3ccc(OCCC(C)C)cc3)[nH]c(=O)c12 6651851 CQUCXESHTNTHHN-RMKNXTFCSA-N 398.484 4.587 0 40 GJAB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(F)cc3)cc1)S[C@H](C)C(=O)N2 6678733 ZCCYFIBSOUBXEV-YJYMSZOUSA-N 397.475 4.599 0 40 GJAB Cc1cccc(C)c1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 6887246 GMMHSYIVVUPWDV-UHFFFAOYSA-N 385.891 4.951 0 40 GJAB CCCCCC(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)c(Cl)c1 7496796 CBWOCYHMUCBOFM-UHFFFAOYSA-N 393.959 4.554 0 40 GJAB Clc1snnc1CSc1nnc(-c2cccs2)n1-c1ccccc1 8162218 UPAHDHJSBHESQN-UHFFFAOYSA-N 391.934 4.793 0 40 GJAB Cc1nc2cc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)ccc2o1 8264452 XXYQFDXZIJDVFT-JOCHJYFZSA-N 398.418 4.843 0 40 GJAB COc1cc(OC)cc(-c2nc(-c3c(C)nc4sccn34)sc2C(C)=O)c1 8548563 JMGPDJXVYGBVSG-UHFFFAOYSA-N 399.497 4.715 0 40 GJAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C2SCCCS2)cc1 9691535 WLJBOVOEXDTAJQ-UHFFFAOYSA-N 387.526 4.556 0 40 GJAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 11592830 PSGAAPLEWMOORI-MUYMAFBUSA-N 386.532 4.655 0 40 GJAB in-vitro COc1ccc(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)no2)cc1 11915718 GQKZYWJLIHBDFT-UHFFFAOYSA-N 385.832 4.866 0 40 GJAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C)c(Cl)ccc3s2)on1 12422294 DJSXSIJIADDGFY-UHFFFAOYSA-N 398.875 4.797 0 40 GJAB C[C@@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(F)cc1 12550817 AUWLBXHPQLRCKO-CQSZACIVSA-N 379.460 4.622 0 40 GJAB CCN(C(=O)[C@@H](C)Sc1nnc(C)n1C1CC1)c1cccc2ccccc12 12803508 VHYWGSLKORKSGM-CQSZACIVSA-N 380.517 4.608 0 40 GJAB C[C@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl 12818402 KHDYGJPZOLRSLZ-BBATYDOGSA-N 381.278 4.803 0 40 GJAB Cc1noc(-c2ccc(C(=O)NCC(c3ccccc3)c3ccccc3)cc2)n1 12922004 YZACEMYLHRIMPP-UHFFFAOYSA-N 383.451 4.607 0 40 GJAB CN(C)[C@@H](CNc1ncnc2sc3c(c12)CCCC3)c1ccccc1Cl 13040205 FIKOHCAFETUTCP-INIZCTEOSA-N 386.952 4.938 0 40 GJAB CCN(CC)Cc1ccccc1CNC(=O)Cc1csc(-c2cccs2)n1 14180761 OJEGRSYWFLLIDA-UHFFFAOYSA-N 399.585 4.572 0 40 GJAB COc1ccc(C)cc1N(C(=O)c1ccccn1)c1nc2ccccc2s1 14380831 IKZZLBIODZKOEY-UHFFFAOYSA-N 375.453 4.987 0 40 GJAB COc1ccc(CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c(OC)c1 15602535 RARFSXXSEVOOPO-UHFFFAOYSA-N 391.423 4.793 0 40 GJAB CC(C)c1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2cccc(F)c2)n1 16576013 LQRGOJWWRCSYNY-UHFFFAOYSA-N 394.841 4.702 0 40 GJAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1cccc(OC)c1)C3 20403804 WUCVSFOCYWBTNA-UHFFFAOYSA-N 399.874 4.760 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)CSCc2ccc(F)cc2)cc1 20459040 KEKRJFUTHXDZMY-UHFFFAOYSA-N 375.509 4.595 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1csc(COc2ccc(F)cc2)n1 24865842 PWMPGANXBQQUGA-UHFFFAOYSA-N 392.839 4.776 0 40 GJAB Cc1ccc(C)c(Nc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)c1 25285431 LCZPKDBRTUALOV-UHFFFAOYSA-N 382.533 4.501 0 40 GJAB Cc1cc(C)c2oc(C(=O)N(Cc3ccco3)Cc3cccs3)cc(=O)c2c1 27990845 MUULUYWRUFQOTC-UHFFFAOYSA-N 393.464 4.907 0 40 GJAB O=C(c1ccc(F)cc1)c1ccc(OCc2noc(-c3cccs3)n2)cc1 31682185 JVBGJXZCGJKCGG-UHFFFAOYSA-N 380.400 4.747 0 40 GJAB COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1NC(=O)c1ccco1 32095049 QHHQGJBFNHFGAL-UHFFFAOYSA-N 395.484 4.873 0 40 GJAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1cc(F)c(Cl)cc1Cl 32930811 ZPYPLYARZQZLCN-UHFFFAOYSA-N 378.190 4.967 0 40 GJAB Cc1ncc(NC(=O)c2ccc(F)c(F)c2)n1-c1nc(-c2ccccc2)cs1 35682923 COODQLZMDXXIIQ-UHFFFAOYSA-N 396.422 4.835 0 40 GJAB CCOc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1OCc1cccnc1 40068814 ROZAJMGFAGBATC-QGZVFWFLSA-N 376.456 4.550 0 40 GJAB Cc1cccc(N2CCN(C(=O)c3cccc(OCc4cccs4)c3)CC2)c1 40088851 LKEPWYLLZBRTKT-UHFFFAOYSA-N 392.524 4.598 0 40 GJAB CSCc1cccc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c1 40106744 PUVAICXORNWDJN-UHFFFAOYSA-N 390.508 4.732 0 40 GJAB Cc1nc(SCC(=O)Nc2c(C)cccc2Cl)cc(-c2ccccn2)n1 49007161 DGJSCSURAHWOBZ-UHFFFAOYSA-N 384.892 4.540 0 40 GJAB O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc(Br)cc1F 58156637 FKPQNLROSACQTG-UHFFFAOYSA-N 394.631 4.680 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3ccco3)c3ccccc3F)c12 70006191 IJPCPZFNLNGKQR-UHFFFAOYSA-N 391.402 4.988 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72358082 QEVLXCUQTFACJP-LJQANCHMSA-N 381.476 4.554 0 40 GJAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc2N1 78404127 IBBWGBXUUCLSFJ-OAHLLOKOSA-N 380.469 4.636 0 40 GJAB CC(C)n1cc(CCCC(=O)NCc2nc3ccccc3n2C)c2ccccc21 79490419 SZRVFSRTFBGQMQ-UHFFFAOYSA-N 388.515 4.748 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)C12CCCCC2 79491673 XEMGXVUBMQTGHC-OAQYLSRUSA-N 391.515 4.619 0 40 GJAB Cc1csc(SCC2CCN(C(=O)c3nc4ccccc4s3)CC2)n1 90608123 SUFFNSGAJPPFJT-UHFFFAOYSA-N 389.571 4.706 0 40 GJAB COc1ccc(-c2coc3cc(OCc4nc(C)cs4)ccc3c2=O)cc1 95457395 FKZGCKOGGHIGIS-UHFFFAOYSA-N 379.437 4.813 0 40 GJAB CC(=O)c1ccc(Oc2ccc(C(=O)Nc3ncccc3OC(F)F)cc2)cc1 95976509 RSCZJTKJSPRPMC-UHFFFAOYSA-N 398.365 4.930 0 40 GJAB CN(C(=O)c1ccc(-n2cccn2)cc1)c1ccc(Br)cc1Cl 97712557 ZNJCHTWVSKEVLH-UHFFFAOYSA-N 390.668 4.565 0 40 GJAB CCSc1nc2n(n1)[C@H](c1ccccc1OC)C1=C(O)CC(C)(C)CC1=N2 102680984 KOIWDMASKCUJEY-QGZVFWFLSA-N 384.505 4.706 0 40 GJAB O=C(CSCc1ccc(Cl)cc1)NCCOc1cccc2ccccc12 223509179 HGGBMFSKLHAAEH-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 223748865 QMXDRLHHTHFBID-LEWJYISDSA-N 392.528 4.650 0 40 GJAB COc1ccc(C(=O)NCc2ccco2)cc1COc1ccccc1C(C)C 224227232 KFDBCJBBIZCDHV-UHFFFAOYSA-N 379.456 4.921 0 40 GJAB Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)c(I)c1 225021213 GWOSJWBDSZJVEZ-UHFFFAOYSA-N 395.240 4.639 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)cc1Cl 225469847 YDPPPYPYDINPOU-ZDUSSCGKSA-N 376.909 4.873 0 40 GJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225730517 WMGNRTUKRYXMPA-SELNLUPBSA-N 390.568 4.577 0 40 GJAB O=C(O)c1cccc(CN2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)c1 257259222 KXJPUWZXTWSMGI-OAQYLSRUSA-N 376.456 4.691 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 408608969 NGSLUAZTRAEQJZ-QHCPKHFHSA-N 376.544 4.647 0 40 GJAB Cc1cc(O)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1C 408617524 APJKATFQUMSSPQ-UHFFFAOYSA-N 384.888 4.942 0 40 GJAB CCOC(=O)C1=C(c2ccccc2)NC(SC(C)C)=N[C@H]1c1ccccc1 408986447 CJKZWFCJEZQAHP-IBGZPJMESA-N 380.513 4.803 0 40 GJAB O=C1Nc2ccccc2S/C1=C\c1cc(Br)cc(Cl)c1O 409106447 NHNDNODTPNVPFY-MLPAPPSSSA-N 382.666 4.893 0 40 GJAB O[C@@H]1[C@@H](NCc2ccc(C(F)(F)F)cc2)CCC[C@H]1Oc1ccc(Cl)cc1 585288536 DBOGJWXWNZJYEE-IPMKNSEASA-N 399.840 4.809 0 40 GJAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC2(CC1)C(F)(F)C2(F)F 649709834 CAFYYVHHNGQZBT-SECBINFHSA-N 399.215 4.687 0 40 GJAB CCN(Cc1cc(Cl)c(OC(F)F)c(OC)c1)[C@@H]1CCOC(C)(C)C1 1615580364 AFNNJLJYQJAQKC-CYBMUJFWSA-N 377.859 4.730 0 40 GJAB Cc1nc2sc3c(c2c2nnc(SCc4ccccc4)n12)CC(C)(C)OC3 1254633 GOLWSEXPOUUBKN-UHFFFAOYSA-N 396.541 4.791 0 40 GJAB COc1ccc(OC)c(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c1 1342869 LWPHPKXAFMYLHD-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB Cc1cccc2cc(CN(CCc3ccccc3)C(=O)c3ccccc3)c(=O)[nH]c12 1346808 AZYFNFIAVHWUCC-UHFFFAOYSA-N 396.490 4.722 0 40 GJAB CC(C)c1nc(SCC(=O)NC(C)(C)C)c2c3c(sc2n1)C[C@@H](C)CC3 1375685 FSGDWBMOFZYQNT-LBPRGKRZSA-N 391.606 4.946 0 40 GJAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)cc1Cl 1498466 JFMAWPUWBGOLET-UHFFFAOYSA-N 386.588 4.809 0 40 GJAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3cccc(OC)c3)ccc12 2146139 IVGABDWVJZUXLH-UHFFFAOYSA-N 380.440 4.714 0 40 GJAB biogenic CC(=O)O[C@@H](CC(=O)c1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 2270543 WRNDYOSGPMXTEN-NSHDSACASA-N 378.466 4.868 0 40 GJAB CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O)c1ccccc1 2430558 BIVUPNIUXPONHS-RTBURBONSA-N 385.467 4.522 0 40 GJAB Cc1cc(Br)cc(Cl)c1OCC(=O)N1CCCc2ccccc21 2633756 YFAYBPSSWBGYKL-UHFFFAOYSA-N 394.696 4.769 0 40 GJAB O=C(Nc1ccc2ccccc2c1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 2638791 SRNXGTDSWASKNF-QFIPXVFZSA-N 396.446 4.639 0 40 GJAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1c(C)cccc1C(C)C)C(C)C 3430217 HEOLEVKXAFVQKB-NRFANRHFSA-N 396.531 4.910 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 4062980 CVVMPQQEIMFLAE-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB COc1ccc(OC)c(NC(=O)CSc2nc3c(C)cccc3cc2C)c1 4167450 GJDFHMYVZNGXPN-UHFFFAOYSA-N 382.485 4.600 0 40 GJAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3cc(C)ccc3C)c3ccccc32)cc1 4555158 WLBOSVFLYNOLQA-SANMLTNESA-N 399.490 4.619 0 40 GJAB Cc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccccc2Br)c1 4825997 DJAQRSBZOWZGHR-UHFFFAOYSA-N 399.244 4.855 0 40 GJAB Cc1ccc(-c2nc(CSc3nnc(-c4ccccc4F)n3N)cs2)cc1 4986460 KPFOGTOELKHOEH-UHFFFAOYSA-N 397.504 4.522 0 40 GJAB Cc1ccc(NC(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 5415054 HNOASNXTMFTRJC-UHFFFAOYSA-N 389.278 4.920 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 6112797 LXVKZAWJHARSBK-UHFFFAOYSA-N 389.933 4.873 0 40 GJAB CC(C)c1ccc(-n2nnnc2S[C@H](C)c2nnc(-c3cccs3)o2)cc1 6850249 YIUMZXAETOGHHD-GFCCVEGCSA-N 398.517 4.751 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(F)c(F)c2F)cc(OCC)c1OCC 7989460 RNLNAZKUGXOUIY-UHFFFAOYSA-N 383.366 4.552 0 40 GJAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 8163596 KPZBQPDPSFOFHY-GVDBMIGSSA-N 394.544 4.635 0 40 GJAB Cc1cc(C)n(CCCNCc2cn(-c3ccccc3)nc2-c2cccs2)n1 8326787 RTDQOQTVIWSIJZ-UHFFFAOYSA-N 391.544 4.594 0 40 GJAB CCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2cc(OC)ccc21 12323321 NVSIVQPZHAMXGH-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB Cc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)cc1 12419361 OMGYJSLIONTPDB-UHFFFAOYSA-N 380.425 4.819 0 40 GJAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc(C(F)(F)F)c1 12890078 MDCXAUWZPCLMIN-UHFFFAOYSA-N 385.769 4.701 0 40 GJAB COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(C)cc3)s2)cc1 12972586 FKMPSNCDVDVGSH-WJDWOHSUSA-N 385.876 4.844 0 40 GJAB O=C1C[C@H](c2ccc(F)cc2F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15107211 HZYLAVCTAUHUIG-CYBMUJFWSA-N 385.391 4.866 0 40 GJAB Cc1csc([C@@H](Cc2cccs2)NCc2cc(Cl)c3c(c2)OCO3)n1 19240072 PWYZIASVPZIZIL-OAHLLOKOSA-N 392.933 4.969 0 40 GJAB Cc1ccccc1CSCC(=O)NCCSCc1cccc(Cl)c1 20237685 KKECDZCTYVSLGT-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(C(=O)OC)ccc1C 20486917 UOVBLCQNTAOVBA-FQEVSTJZSA-N 377.440 4.731 0 40 GJAB NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)sc2c1CCCC2 21595697 XVPCULDKVMGZFQ-ACCUITESSA-N 392.480 4.638 0 40 GJAB O=C1N[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)Nc2ccccc21 23622815 WFDZXDCOKLVITH-FQEVSTJZSA-N 382.822 4.912 0 40 GJAB COc1cc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)ccn1 24438973 CDSVNMNOVFBATD-UHFFFAOYSA-N 399.450 4.651 0 40 GJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cc(=O)c2ccccc2o1 32981822 DHBKEQWXLIZNFR-UHFFFAOYSA-N 388.857 4.884 0 40 GJAB Cc1nc(NC(=O)c2sc3nc4c(C)ccc(C)c4cc3c2N)sc1C 35291583 QZZIKNKXSARCNF-UHFFFAOYSA-N 382.514 4.974 0 40 GJAB c1ccc(CCn2c(Cc3cccs3)nnc2SC[C@@H]2CCCCO2)cc1 39561297 SRRTUPCNAWGFEJ-SFHVURJKSA-N 399.585 4.834 0 40 GJAB O=C(NC1CC1)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1 40150618 PEBBERSXKVNRLY-LJQANCHMSA-N 383.879 4.601 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccccc2)CC1 47303050 GCXNGFKZDYTSLF-UHFFFAOYSA-N 377.532 4.528 0 40 GJAB C[C@@H](c1ccco1)N(C(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CC1 56182669 ZAAYDCDNAZDRFU-AWEZNQCLSA-N 380.469 4.959 0 40 GJAB CCCCCN(C(=O)Cn1c(S)nnc1-c1cccs1)[C@H](C)CCC 58107898 RMLFXSXWXQPNJF-CQSZACIVSA-N 380.583 4.503 0 40 GJAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCCCC3)[C@@H]2c2cccs2)cc1 58402600 QMOYPUUJNDIFIK-DENIHFKCSA-N 396.556 4.943 0 40 GJAB CCOC(=O)c1cnc2c(OC)nccc2c1Nc1ccc(C(C)(C)C)cc1 66091309 WILSDIDYIANZIL-UHFFFAOYSA-N 379.460 4.856 0 40 GJAB CC(C)OCCCn1c(SCCc2ccccc2)nc2ccccc2c1=O 67259101 IAKCXPMXCIDDMG-UHFFFAOYSA-N 382.529 4.546 0 40 GJAB C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1cccc(N2CCOC2=O)c1 68686771 VBMGSTPQUIRBQQ-SNVBAGLBSA-N 385.773 4.884 0 40 GJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCCCc2ccccc21 71837560 FXXYJUXJEQFVAF-UHFFFAOYSA-N 382.410 4.922 0 40 GJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)=O)cn1 72215178 WTKIOXRQSPGWKG-YJBOKZPZSA-N 375.513 4.695 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72357982 VXYKQNGIBHODEH-QHCPKHFHSA-N 392.449 4.857 0 40 GJAB O=C(NCCCn1ccnc1-c1ccccc1)NCc1cccc2ccccc12 90583521 TWVISMRVDSPAFI-UHFFFAOYSA-N 384.483 4.593 0 40 GJAB Cc1cc(N(Cc2cccnc2)Cc2ccccc2C)nc(-c2ccccn2)n1 95443177 WGLSKVJQYZOAGS-UHFFFAOYSA-N 381.483 4.757 0 40 GJAB O=C(/C=C/c1ccccc1Cl)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119031 ZOHBOACCJVNXDN-MVGZEHJDSA-N 399.903 4.871 0 40 GJAB CC[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc(C)c(C)c1 222573381 FNGVEAIPQVMJMY-FQEVSTJZSA-N 387.545 4.620 0 40 GJAB O=C(NCc1ccc2ccccc2c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 222813724 LZXUMMJIMHBBLX-QFIPXVFZSA-N 376.475 4.507 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 222974195 OAWDGOBUENNMHS-SFTDATJTSA-N 376.529 4.645 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1nnc(SCc2ccccc2)s1 223039922 HAQFAJKGANKJOU-INIZCTEOSA-N 399.541 4.935 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(C)C 223079641 VWTSWOTXESCQRH-UHFFFAOYSA-N 387.423 4.947 0 40 GJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 223436620 XRNQPKYITCIWJS-UHFFFAOYSA-N 381.828 4.882 0 40 GJAB CN1C(=O)S/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C1=O 408604589 VPILIARYVCJRCR-SXGWCWSVSA-N 377.824 4.724 0 40 GJAB O=C(C[C@]12CCCC[C@H]1C2(F)F)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 665863171 YCAUUUPXTNUCKH-CEMLEFRQSA-N 395.453 4.984 0 40 GJAB CC(C)C[C@@H](C)n1nccc1NC(=O)N1CCC2(C=Cc3ccccc3O2)CC1 666677262 FLNMOJQCIUOWQN-GOSISDBHSA-N 394.519 4.963 0 40 GJAB Cc1c(C(=O)N2C[C@@H](C(C)C)c3ccccc32)cnn1-c1ccc(F)cc1F 1586550500 QUEKEGHXFOYJMM-SFHVURJKSA-N 381.426 4.859 0 40 GJAB COCCOc1ccc(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)cc1 1641156181 FBVUGLQZBBXTGQ-UHFFFAOYSA-N 397.858 4.990 0 40 GJAB CC(C)CN1C(=O)C2(CCN(C3CCCC3)CC2)C[C@H]1Cc1ccc(F)cc1 2037846144 QXLQVGXWQONZOM-JOCHJYFZSA-N 386.555 4.650 0 40 GJAB O=C(c1sc2cc(F)ccc2c1Cl)N1CCN(c2ccccc2F)CC1 702920 LNGLPJHWQBXTLC-UHFFFAOYSA-N 392.858 4.795 0 40 GJAB O=C(OCC(=O)c1cccc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1 1107678 APSSWBUVVBJOOG-UHFFFAOYSA-N 399.402 4.725 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)OCCOc1ccc(Cl)cc1Cl 1699867 BKQDDEJYXCVTLJ-UHFFFAOYSA-N 389.662 4.956 0 40 GJAB COc1ccccc1N[C@H](c1ccccc1)c1c(C)n(C)n(-c2ccccc2)c1=O 2285776 WCGCPXAZJAPLTN-XMMPIXPASA-N 399.494 4.695 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c1 2449223 CWQRXOHYZNFTDM-UHFFFAOYSA-N 394.544 4.819 0 40 GJAB CC[C@@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccccc1 2706277 NUWSJRSUVUVKLS-OAHLLOKOSA-N 385.562 4.857 0 40 GJAB CC(=O)c1ccc2c(c1)N(C(=O)c1ccnn1C(F)F)c1ccccc1S2 2793374 RZSVVTFBKNTVQY-UHFFFAOYSA-N 385.395 4.924 0 40 GJAB Cc1ccccc1-n1c(SCC(=O)c2ccccc2)nnc1-c1cccnc1 3240557 DYWPEYGNRLIKJM-UHFFFAOYSA-N 386.480 4.613 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)s2)c(C)c1 3247276 NYQRPBXJXDFSFM-HNNXBMFYSA-N 398.557 4.868 0 40 GJAB O=C(CSc1nnc(SCC(=O)c2cccs2)s1)c1cccs1 3298840 KJJGDRSHPUGCPL-UHFFFAOYSA-N 398.581 4.611 0 40 GJAB c1ccc(-c2csc3ncnc(NC[C@@H]4COc5ccccc5O4)c23)cc1 3348926 MPKXYNWKQLMDJS-OAHLLOKOSA-N 375.453 4.610 0 40 GJAB CCCCCn1nc(C(=O)Nc2ccc(C)cc2Cl)c2ccccc2c1=O 3452416 OZGJCFSVOGNCBQ-UHFFFAOYSA-N 383.879 4.801 0 40 GJAB CN(C)CCCN(C(=O)c1cccc(Cl)c1)c1nc2ccc(F)cc2s1 4359569 PJJWMDOWZHPTLY-UHFFFAOYSA-N 391.899 4.687 0 40 GJAB O=C1N/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1ccc(Cl)cc1 4545351 BHVHLBIBXMOVTH-WOJGMQOQSA-N 396.805 4.832 0 40 GJAB Cc1c(C(=O)O[C@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 4794576 VIGRJFNSOYZCGW-LFRPXUGBSA-N 394.515 4.647 0 40 GJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(OC)c2)cc1 5164636 JMSLMZDZXIQXOY-ISKFKSNPSA-N 386.451 4.946 0 40 GJAB Cc1ccc(NC(=O)[C@H](OC(=O)c2c(C)noc2C)c2ccccc2)cc1Cl 5194315 FGNMVHQMYPZHEB-LJQANCHMSA-N 398.846 4.790 0 40 GJAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2F)c2c(C)c(C)sc2n1 5428948 UDLOSANGBPWTNG-LLVKDONJSA-N 375.494 4.875 0 40 GJAB Cc1cc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)ccc1Cl 5610698 KDRWLCHFFWWRFI-UHFFFAOYSA-N 388.872 4.995 0 40 GJAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccc3ccccc3n2)c1Cl 5849280 ZJPQCEYMYGXILR-UHFFFAOYSA-N 389.238 4.646 0 40 GJAB O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)C12CC3CC(CC(C3)C1)C2 6120404 PYUPRBNZEDEWFZ-BQYQJAHWSA-N 375.468 4.577 0 40 GJAB COc1cccc(OC)c1/C=C/C(=O)N(Cc1ccccc1)Cc1ccccc1 6407492 PTOCDDKYAPHYHN-WUKNDPDISA-N 387.479 4.946 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 6471430 LTCAMUFJIXHBJQ-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB COc1cccc([C@@H](CNc2nc(C)nc3sc4c(c23)CCCC4)N(C)C)c1 6510620 MQGBMOONTGTCQM-GOSISDBHSA-N 396.560 4.602 0 40 GJAB CCOc1ccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 6638440 AOMYHOXYLJCTAW-UHFFFAOYSA-N 390.814 4.883 0 40 GJAB O=C(Cn1c(=O)oc2ccc(Cl)cc21)Nc1ccc(Oc2ccccc2)cc1 6759299 WBSYBOMOAVVTFT-UHFFFAOYSA-N 394.814 4.679 0 40 GJAB Cc1nc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)cs1 6993169 TUFDGYYDYLNOLU-UHFFFAOYSA-N 384.555 4.977 0 40 GJAB Cn1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nc2ccccc21 7154104 WZFMZTLENILRSA-HXUWFJFHSA-N 393.537 4.633 0 40 GJAB CN(Cc1nc2cc(-c3ccc(Cl)cc3)sc2c(=O)[nH]1)c1ccccc1 7719431 DTQYZMNMVHHPDD-UHFFFAOYSA-N 381.888 4.941 0 40 GJAB COc1ccc(-c2csc(NC(=O)CN3CCC[C@@H]3c3cccs3)n2)cc1 8039740 PIYGIWVXKSVLMH-QGZVFWFLSA-N 399.541 4.656 0 40 GJAB O=C(COc1ccccc1Cl)N1N=C(c2cccs2)C[C@@H]1c1ccco1 8264382 UPLKDNITKYFLGL-OAHLLOKOSA-N 386.860 4.751 0 40 GJAB CCOc1ccc(CNC(=O)CSc2ccc(Cl)cc2)cc1OCC 8558212 PFEQCMCYGYYZJO-UHFFFAOYSA-N 379.909 4.546 0 40 GJAB COc1cc2c(cc1[C@H]1Nc3ccccc3C(=O)N1C1CCCC1)O[C@H](C)C2 8719575 RLKLHAXHWYTNJE-PEBXRYMYSA-N 378.472 4.528 0 40 GJAB CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccco1 8734895 CHVPWUUHJWUSQI-JOCHJYFZSA-N 396.450 4.830 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1C1CCCCC1 8915538 QNIKFBJDOIYLJQ-HXUWFJFHSA-N 377.415 4.810 0 40 GJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3F)cc21 8959952 VBHKJYJEKHDLPN-UHFFFAOYSA-N 398.478 4.876 0 40 GJAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9335682 JCWVYKKLNWYHRO-KRWDZBQOSA-N 383.513 4.766 0 40 GJAB COc1ccc(CCNC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 9615243 APIBRCQJSYBCFW-UHFFFAOYSA-N 375.424 4.576 0 40 GJAB CSc1ccc(CC(=O)Nc2nc3c(Br)cccc3s2)cc1 10252415 NPMSXPQFCVWCCE-UHFFFAOYSA-N 393.331 4.962 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1C 10443759 ZFHVVITWIKTNPL-MRXNPFEDSA-N 383.488 4.875 0 40 GJAB CCc1c(C)nc2cc(C3CCOCC3)nn2c1N[C@H](C)c1ccccc1OC 12155451 BOTNMLVDBLHSMD-MRXNPFEDSA-N 394.519 4.676 0 40 GJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(SC(F)F)cc3)ccc2o1 12527842 FPTXXMRWZITBNR-JTQLQIEISA-N 377.416 4.890 0 40 GJAB CCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2C(F)F)cc1 12535898 VLTMSNFIRHRVHI-UHFFFAOYSA-N 389.427 4.755 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)Cn1c(=S)sc2ccccc21 12544205 RVXGGLWHZUGYHH-UHFFFAOYSA-N 380.542 4.767 0 40 GJAB O=C(COc1cc(Cl)ccc1C(=O)O)Nc1ccc(Oc2ccccc2)cc1 13085345 WJQWNHNHZZSYGF-UHFFFAOYSA-N 397.814 4.848 0 40 GJAB O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)c1ccccc1 14181410 HQKLGLKHRYIWJI-UHFFFAOYSA-N 376.584 4.956 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)C 19933068 MBGWRSLHGCKBBI-GOSISDBHSA-N 390.936 4.988 0 40 GJAB CCCCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)c2ccccc12 19943419 QHRGGRZQBQBNMC-UHFFFAOYSA-N 394.496 4.914 0 40 GJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)C1(c2ccccc2)CCCC1 20143593 KFAWKHBIAIWING-UHFFFAOYSA-N 391.467 4.898 0 40 GJAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(O)c(C(=O)O)c3)o2)cc1Cl 20145487 FYAHDUGKXZLEOK-RMKNXTFCSA-N 397.814 4.964 0 40 GJAB COc1cccc(CN2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)c1 20759897 UDIXEWUVNGKGCF-UHFFFAOYSA-N 399.446 4.821 0 40 GJAB biogenic Cc1c(Cl)cccc1NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 20767752 AXDVQNGFJRUSOT-UHFFFAOYSA-N 395.871 4.637 0 40 GJAB Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(C)c(C)c4)c(=O)n23)cc1 20768051 QJLZUIAHPXSPIB-UHFFFAOYSA-N 389.480 4.601 0 40 GJAB CCCOc1ccccc1C(=O)NCc1csc(-c2ccc(OC)cc2)n1 21785901 ITELMGBQEXYUKW-UHFFFAOYSA-N 382.485 4.538 0 40 GJAB O=C(NCc1ccccc1)c1cccnc1Nc1cccc(Br)c1 22071981 NTZKDTFACWUVAU-UHFFFAOYSA-N 382.261 4.518 0 40 GJAB O=C(NCCc1ccc(Br)s1)c1cc2c(F)cccc2s1 22323596 MMCXXHSLYBNKOI-UHFFFAOYSA-N 384.295 4.837 0 40 GJAB COc1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1Cl 24745940 KTHMPSXGTNSRFQ-UHFFFAOYSA-N 392.839 4.776 0 40 GJAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1c(Cl)cccc1Cl 28237693 QHIASIITPMOUDG-QMMMGPOBSA-N 380.197 4.792 0 40 GJAB CC[C@H](NC(=O)c1ccn(COc2ccccc2Cl)n1)c1ccc(C)cc1 28239103 JWZFXYZHLKYFDY-SFHVURJKSA-N 383.879 4.763 0 40 GJAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4cccs4)cc3)n2)cc1 32624055 VGOQGNYIMAUPBB-UHFFFAOYSA-N 377.425 4.726 0 40 GJAB O=C(CSCc1csc(-c2ccc(F)cc2)n1)NCc1ccc(F)cc1 32778863 PKHLPSIHBCHPQE-UHFFFAOYSA-N 390.480 4.638 0 40 GJAB CCCCn1c(=O)c2sccc2n2c(SCc3ccc(C)cc3)nnc12 35529101 LSUKNVLALSBGCA-UHFFFAOYSA-N 384.530 4.507 0 40 GJAB COc1ccc(OC)c(Nc2c(-c3ccccc3O)nc3cc(C)ccn23)c1 35616403 HXWWMXZREDDTGP-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1 35882601 KTQLOLSJZZPXLH-ZWKOTPCHSA-N 389.282 4.642 0 40 GJAB biogenic Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3cccc(Cl)c3)c12 36613656 MAQGDBYQSWEMBE-UHFFFAOYSA-N 395.821 4.921 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1 39742968 FSYTWFHEYHRVKW-UHFFFAOYSA-N 391.342 4.830 0 40 GJAB Cc1ccc2c(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cccc2n1 57315947 GDDMBQGPVMCZCJ-UHFFFAOYSA-N 390.295 4.977 0 40 GJAB Cc1sc(NC(=O)c2ccc(-n3cnnc3)cc2)nc1-c1ccc(Cl)cc1 66642153 NWZBPQKCOVZULO-UHFFFAOYSA-N 395.875 4.605 0 40 GJAB CC(C)c1nc2ccc(NC(=O)NC3CCN(c4ccccn4)CC3)cc2s1 66980089 BWBFMYVWPQHIGB-UHFFFAOYSA-N 395.532 4.605 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(C)c2)nc1 67294217 DVTYJZJWHJSHID-BZZOAKBMSA-N 385.423 4.635 0 40 GJAB CCN(CCO)c1nc(-c2ccccn2)nc2sc(C)c(-c3ccccc3)c12 72274566 YZEKBLXOWZBUBS-UHFFFAOYSA-N 390.512 4.547 0 40 GJAB O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349433 DNEARPOVQLBOTC-IBGZPJMESA-N 391.902 4.746 0 40 GJAB CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)C(C)(C)C 72370427 MUBLNAAQGBWVKM-OAHLLOKOSA-N 386.561 4.573 0 40 GJAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1ccc(F)c(Cl)c1 79480991 GDUQLDHHCZQIDN-UHFFFAOYSA-N 383.766 4.868 0 40 GJAB Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3CCO)c3ccccc3n2C)cc1 85430429 BLRJHFJWJRSXSJ-RUZDIDTESA-N 396.490 4.691 0 40 GJAB COc1ccc(SCC2CCN(C(=O)Nc3ccccc3OC)CC2)cc1 90608284 UKFCUCOTZIHNHX-UHFFFAOYSA-N 386.517 4.740 0 40 GJAB O=C(COc1ccc(Cl)cc1)N(CCc1cccs1)Cc1ccoc1 90612357 DBNHSRIXYDQOOM-UHFFFAOYSA-N 375.877 4.645 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3cccnc3C(F)(F)F)sc2C)cc1 95979434 HSLVGZQCIGDXKE-UHFFFAOYSA-N 393.390 4.793 0 40 GJAB COc1ccc2c(c1Oc1ccccc1)[C@]13CCN(C)[C@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 96316421 HLKCYOOWMVLNED-DQZWCGOGSA-N 391.511 4.601 0 40 GJAB biogenic,in-vitro CCC(=O)Nc1ccc(C)c(NCc2cc(Br)ccc2OC)c1 97393531 NXNYVWVNYMPAKO-UHFFFAOYSA-N 377.282 4.727 0 40 GJAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 223407127 YLLBPNVFCPRIRC-OAQYLSRUSA-N 386.923 4.592 0 40 GJAB COc1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)cn1 223997738 YJPOVFDWSMQICR-UHFFFAOYSA-N 389.952 4.932 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCC2)c1 224801391 PGOQEWILIGCOJH-FQEVSTJZSA-N 394.559 4.798 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c1 225477039 DGZFYILNTKDGAN-ZDUSSCGKSA-N 376.909 4.791 0 40 GJAB O=C(NCc1ccnc(-c2ccco2)c1)NC(c1ccccc1)c1ccccc1 225657774 OHFYSTCWVPVSQL-UHFFFAOYSA-N 383.451 4.930 0 40 GJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 225700441 NAFOOWVNUPLUPY-OAQYLSRUSA-N 398.572 4.501 0 40 GJAB Cc1cccnc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257261226 LGFYKXKYBIQJJO-QGZVFWFLSA-N 395.890 4.642 0 40 GJAB Cc1ccc(-c2cc(C)nc(SCC(=O)N3CCCc4ccccc43)n2)cc1 408547003 QEKHBHZSDZLSGK-UHFFFAOYSA-N 389.524 4.832 0 40 GJAB CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)C(C)C)c3)nc2c1 408618002 BQOSXSSCCRFLHS-UHFFFAOYSA-N 381.501 4.835 0 40 GJAB CCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 408621918 MHPAVLBKBYNURA-UHFFFAOYSA-N 398.484 4.868 0 40 GJAB CCn1c(CN2CCCC[C@@H]2CCc2ccccc2)nc2cc(C(=O)O)ccc21 576829641 CHHLHGCAMGMYRD-HXUWFJFHSA-N 391.515 4.742 0 40 GJAB C[C@H](NC(=O)c1ccc(Br)cc1Br)c1ccccc1 682587 FOOZFIIYPGXXRD-JTQLQIEISA-N 383.083 4.703 0 40 GJAB Cc1cc(OCc2nnc(SCC(=O)c3ccc(F)cc3)o2)ccc1Cl 908749 ZBZUBGIKXWVQLW-UHFFFAOYSA-N 392.839 4.725 0 40 GJAB CCc1ccc(Oc2coc3cc(OCC(=O)OCC(C)C)ccc3c2=O)cc1 950703 UBAJYAALVSRCJL-UHFFFAOYSA-N 396.439 4.726 0 40 GJAB biogenic O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)c1ccc(F)cc1 1346469 UQALTPLWMGVEQE-UHFFFAOYSA-N 398.850 4.583 0 40 GJAB CCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc(Cl)c1Cl 1849578 REQRUBNOOIAHMG-UHFFFAOYSA-N 382.243 4.636 0 40 GJAB world CCCCn1c(N)c(C(=O)N[C@H](C)CCCC(C)C)c2nc3ccccc3nc21 2390494 BTVPRBAHMJYXOH-MRXNPFEDSA-N 395.551 4.911 0 40 GJAB Fc1cccc(Cl)c1CSc1ncnc2c1cnn2Cc1ccccc1 2454230 XBHSUEZNIIOCQI-UHFFFAOYSA-N 384.867 4.959 0 40 GJAB COc1ccc(OCCOC(=O)c2ccc(OCc3ccccc3)cc2)cc1 2635540 CSTLHVGGALSYMU-UHFFFAOYSA-N 378.424 4.510 0 40 GJAB Cc1c(NS(=O)(=O)c2cccc(F)c2)cccc1-c1nc2cccnc2s1 4036394 QXYQTVBFWDWDJV-UHFFFAOYSA-N 399.472 4.607 0 40 GJAB Cc1ccc(C)c(COc2coc(CN3CCCc4ccccc43)cc2=O)c1 4304524 BWQCVLBDWXRSGB-UHFFFAOYSA-N 375.468 4.788 0 40 GJAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccncc2)n2c(nc3ccccc32)N1 4787226 NVORWFVJKZPPDE-NRFANRHFSA-N 388.471 4.596 0 40 GJAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1Cl 5024346 JZABJXVQAIZWJI-UHFFFAOYSA-N 383.344 4.567 0 40 GJAB Cc1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c(C)c1 5147347 XGFOLUPUVARQPJ-UHFFFAOYSA-N 379.460 5.000 0 40 GJAB c1ccc(-n2c(SCc3nnc(-c4ccco4)o3)nc3c2CCCC3)cc1 5183384 NYSMGLXNDNMJKF-UHFFFAOYSA-N 378.457 4.686 0 40 GJAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)c1 5217454 NSRJWEIWAMQCKX-HUVFLSCGSA-N 399.506 4.711 0 40 GJAB COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(F)cc2)c1 5348254 WYYUXNJRDIUGHX-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc(-c2ccccc2)n1C 5786768 GSCFOBIGTCHCFF-KBAYOESNSA-N 387.549 4.578 0 40 GJAB CCc1nnc(S/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)O)[nH]1 7342500 YLQZASZQOMRRQU-ATVHPVEESA-N 390.468 4.733 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1cccc(OCC)c1OCc1ccccc1 7601451 ROFQQPNRHOBALO-UHFFFAOYSA-N 398.532 4.615 0 40 GJAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1cc(Cl)ccc1F 7909320 PKLLPVQKIRCKAU-MRXNPFEDSA-N 389.883 4.864 0 40 GJAB CCc1ccc(N2C[C@@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)cc1 7929118 LPQPCVJQGVLBOX-QFIPXVFZSA-N 399.490 4.798 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 8041524 BAEFIVDYNWIQEX-KUHUBIRLSA-N 388.895 4.664 0 40 GJAB Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 8071182 GONMXQCTZNGOKS-UHFFFAOYSA-N 383.429 4.839 0 40 GJAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Cc1ccsc1 8073165 BWGWRDCGDZCHOD-UHFFFAOYSA-N 390.302 4.972 0 40 GJAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cc(Cl)ccc2C)n1 8476794 IOBWMMOTZKZJAT-UHFFFAOYSA-N 389.286 4.689 0 40 GJAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2sccc2C)n2ncnc2N1 8610020 OVFLTQUYTGGSAQ-INIZCTEOSA-N 399.907 4.537 0 40 GJAB CC1=C(C(=O)Nc2cc(C)ccc2C)[C@@H](c2cccc3ccccc23)NC(=O)N1 9087311 XCGDGDFHFXFDJI-JOCHJYFZSA-N 385.467 4.723 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 10139975 OOZMGKBEYDRJCT-INIZCTEOSA-N 389.499 4.577 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 11328304 BFKIOTPSLWEGKL-UHFFFAOYSA-N 392.455 4.870 0 40 GJAB Cc1nc(-c2cc3ccc(OC(=O)CCc4ccccc4)cc3oc2=O)cs1 12390516 ZNLIBTMNTWIUON-UHFFFAOYSA-N 391.448 4.763 0 40 GJAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCC[C@H]1c1cccs1 12766390 SQIVFHAYRWUIOH-IBGZPJMESA-N 388.496 4.518 0 40 GJAB CC[C@H](C)N(C(=O)CSc1nnc(Nc2ccccc2F)s1)[C@H](C)CC 12849003 BQQLHVPGYOYEID-BETUJISGSA-N 396.557 4.939 0 40 GJAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1 13001423 WRYHGWZMDJQLFW-JLHYYAGUSA-N 375.424 4.677 0 40 GJAB CCOc1ccc2cc(CNc3ccc(N4CCCCC4)cc3)c(=O)[nH]c2c1 13561405 UWRHRRPDOATFMK-UHFFFAOYSA-N 377.488 4.529 0 40 GJAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N[C@H](C)Cc3ccco3)cc2s1 13692395 JISOPDDUCVLBHE-CYBMUJFWSA-N 379.485 4.658 0 40 GJAB COc1ccc(CNC(=S)c2ccc(OCc3ccccc3)c(OC)c2)cc1 14291783 FGJNZEBBPFXSBA-UHFFFAOYSA-N 393.508 4.748 0 40 GJAB O=C(Nc1c(F)cccc1F)c1ccc(CN2CCc3ccccc3C2)cc1 14411924 AMSONFRPKBVXGG-UHFFFAOYSA-N 378.422 4.775 0 40 GJAB CC(C)(c1csc(N2CCCCC2)n1)c1csc(N2CCCCC2)n1 16323423 ZJQGYHJLNMGDHJ-UHFFFAOYSA-N 376.595 4.906 0 40 GJAB CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 16741936 DVXVHXSZYJKZAK-NRFANRHFSA-N 382.419 4.500 0 40 GJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1 20110467 YLEGDCTXJJCRBQ-LBPRGKRZSA-N 382.685 4.667 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)c(C)c1 20457062 NGZJQCCQEDBPJS-MRXNPFEDSA-N 390.321 4.939 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)OC)c1C 20493844 WUEOIPOGKYMJSF-KRWDZBQOSA-N 377.893 4.944 0 40 GJAB Cc1cc(C)cc(Nc2nc(Nc3cccc(F)c3)nc(N3CCCC3)n2)c1 27643078 UPUPQUNPDPALFH-UHFFFAOYSA-N 378.455 4.715 0 40 GJAB CCN(CC)[C@@H](CNC(=O)COc1cccc(C)c1)c1ccc(C(C)(C)C)cc1 28290579 ONVGGUGVFWILKS-QHCPKHFHSA-N 396.575 4.871 0 40 GJAB CCN(CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 28296111 UGTWBJYJTAWASN-HXUWFJFHSA-N 397.906 4.808 0 40 GJAB CCOc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 28579253 ZVDAIICTQXWQFB-UHFFFAOYSA-N 381.497 4.789 0 40 GJAB C[C@@H]1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)C[C@@H](C)O1 32975513 MXRNWFYDHNIZQG-ZIAGYGMSSA-N 394.298 4.822 0 40 GJAB COc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(F)cc2)OC3=O)c1 33026885 UGNVAOFEQGDJEX-NRFANRHFSA-N 391.398 4.541 0 40 GJAB COc1ccc(OC)c(Nc2c(-c3cccc(O)c3)nc3cc(C)ccn23)c1 35622070 XVIXSBPBINBCPF-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccccc1CN(C)C(C)C 36391358 WQFBGQPPLXXBPX-UHFFFAOYSA-N 393.556 4.889 0 40 GJAB CC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 36617394 PNIQKVSKSLCQHP-UHFFFAOYSA-N 389.386 4.792 0 40 GJAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832901 YJGAPRNRIBZISL-GOSISDBHSA-N 391.342 4.864 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1C 43037417 BWJSFLQCQPPZPH-MSOLQXFVSA-N 378.472 4.618 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(Cc2ccccc2Cl)C1 44932899 FSDONOWWWAUSTK-UGKGYDQZSA-N 382.935 4.746 0 40 GJAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1[nH]c2ccc(F)cc2c1Cl 58356573 IHVKBKYSVPOQBT-SFHVURJKSA-N 385.870 4.527 0 40 GJAB O=C(Oc1c(Cl)cc(Cl)cc1Cl)c1csc(-c2ncccn2)n1 58394171 FRRBRNXTCKPPCX-UHFFFAOYSA-N 386.647 4.780 0 40 GJAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)cc1C 67258369 CTRLMQXMCQTMIT-UHFFFAOYSA-N 387.508 4.749 0 40 GJAB CCCc1cc(-c2nc(C)c(C(=O)Nc3ccc(OC)cc3OC)s2)ccn1 71285208 XHXIIHVRHZSFIH-UHFFFAOYSA-N 397.500 4.736 0 40 GJAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 72354034 JVHRBZWWHGQTQX-HXUWFJFHSA-N 391.540 4.766 0 40 GJAB C[C@H](NC(=O)CCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 89905535 OVPSVLAJFOJCIS-KBPBESRZSA-N 393.314 4.828 0 40 GJAB Cc1ccc(-c2csc(S(=O)(=O)Cc3ncc(Cl)cc3Cl)n2)cc1 95467908 ZLPUKRABSLWVHK-UHFFFAOYSA-N 399.324 4.794 0 40 GJAB O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(F)cc1Cl 207969847 ZMNIEJIKOPHFCV-SFHVURJKSA-N 375.852 4.552 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)cc1Cl 219593934 VOPFZHIFTIXTAX-SFHVURJKSA-N 375.852 4.621 0 40 GJAB CC(C)(C)c1ccc(OCCNC(=O)CCCOc2ccc(Cl)cc2)cc1 224145875 FGXCFSVPGYIVSY-UHFFFAOYSA-N 389.923 4.992 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1CN1CCCC1 224778780 FYBOSHWKQYSILH-LJQANCHMSA-N 394.559 4.664 0 40 GJAB CCc1cccc(C)c1NC(=O)c1ccc(C)cc1I 225016961 KMJUJYKKZUGCEA-UHFFFAOYSA-N 379.241 4.723 0 40 GJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225619328 ODWBPMBNCQYLJK-HSZRJFAPSA-N 390.568 4.721 0 40 GJAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(F)c(Cl)c1 225740143 ANZHGWJTQYARKZ-ZDUSSCGKSA-N 377.916 4.607 0 40 GJAB CO[C@]1(COc2ccc(C)cc2)CCCN(Cc2ccc3[nH]ccc3c2)CC1 257265998 MBEOYNWVDNPOLQ-XMMPIXPASA-N 378.516 4.926 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCCC1 260812350 ARBBDOMBESPRPC-LJQANCHMSA-N 388.552 4.618 0 40 GJAB O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1ccc(F)c(Cl)c1 390826124 CIAPZOXCKCKBTR-OAHLLOKOSA-N 387.910 4.670 0 40 GJAB CCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(F)cc1 408561114 GRCHPZIANAVWJD-LNVKXUELSA-N 384.476 4.688 0 40 GJAB COC(=O)c1c(NC(=O)CSCc2ccc(Cl)cc2)sc2c1CCC2 408563189 KAZCSVABLZZNBS-UHFFFAOYSA-N 395.933 4.549 0 40 GJAB CCc1cccc(C)c1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC 408618118 CBZLNXWYVUTGII-UHFFFAOYSA-N 397.327 5.000 0 40 GJAB O=C(NCCC1=CCCCC1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408680476 ZGSNSTBOSJCWNN-UHFFFAOYSA-N 390.458 4.935 0 40 GJAB Cc1nc(-c2ccccc2)oc1C(=O)N(C(C)C)[C@H]1CCCc2cccnc21 585080018 UXBYQZWYGOZMJT-IBGZPJMESA-N 375.472 4.973 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3c(F)cccc3F)CC[C@@H]2N1c1cccc(F)c1 1615160249 YLHBWYWNJWPXDG-KUHUBIRLSA-N 388.433 4.624 0 40 GJAB COc1ccc(OC)c(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 795840 DEGISFRYIFZSSP-UHFFFAOYSA-N 393.468 4.665 0 40 GJAB COc1ccc(C(=O)N[C@H](Nc2ccccc2C)C(Cl)(Cl)Cl)cc1 1446724 LXLHFQLZVAWUGZ-INIZCTEOSA-N 387.694 4.542 0 40 GJAB biogenic CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2ccccc2F)cc1 2207469 MBRFXMGACHREKF-JIPXPUAJSA-N 391.423 4.836 0 40 GJAB CCCc1nc2oc3c(NCCCN(CC)CC)ncnc3c2c2c1CCCC2 2338625 FJUVHNCJWFFIQA-UHFFFAOYSA-N 395.551 4.746 0 40 GJAB O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(Br)cc2)on1 2465542 UPMDJGLZQWGETH-UHFFFAOYSA-N 379.160 4.635 0 40 GJAB COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C)(C)C 2889613 LNKOCNUCWXIYKJ-UHFFFAOYSA-N 396.306 4.949 0 40 GJAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1 3593002 PVVWLCXIPIWUJG-UHFFFAOYSA-N 391.452 4.629 0 40 GJAB CCCCCn1c(=S)[nH]c2cc(C(=O)Nc3ccccc3OC)ccc2c1=O 3631143 QYUFSDPNTZEQCJ-UHFFFAOYSA-N 397.500 4.510 0 40 GJAB Cc1cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2c2ccccc12 4191048 LIGSUMHVGDTTIZ-UHFFFAOYSA-N 382.876 4.575 0 40 GJAB Clc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)c(Cl)c1 4327853 GPPYZDUSLNURNX-UHFFFAOYSA-N 388.283 4.785 0 40 GJAB Cc1ccc(C)c(C(=O)N(CCN(C)C)c2nc3ccc(Cl)cc3s2)c1 4359198 YQXMHOHUQVMBJH-UHFFFAOYSA-N 387.936 4.775 0 40 GJAB O=C(CSc1nc2ccccc2n1-c1ccccc1)N1CCc2ccccc21 6383089 RVVMFKCHNXJOEL-UHFFFAOYSA-N 385.492 4.707 0 40 GJAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1Cl 6509449 BIBLXQOOJYXWOJ-UHFFFAOYSA-N 389.842 4.600 0 40 GJAB Cc1ccccc1OCC(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 6732788 IVNXVWUGRLCEEU-UHFFFAOYSA-N 385.419 4.990 0 40 GJAB CCOc1ccc(C(=O)CN(C2=NCCCC2)c2ccc(OCC)cc2)cc1 6870313 NBXSPWFZKHWVNZ-UHFFFAOYSA-N 380.488 4.756 0 40 GJAB C[C@@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)Nc1ccccc1 7547089 SHJHTXDGQCTEGT-UZLBHIALSA-N 389.524 4.978 0 40 GJAB CCOc1cc(C(=O)O)cc(Br)c1OCc1ccc(Cl)cc1 7603921 VXNWYOJTIBMRGS-UHFFFAOYSA-N 385.641 4.778 0 40 GJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(-c2ccco2)nc2ccccc12 8230126 KHKZBAVRBDKXSJ-UHFFFAOYSA-N 397.434 4.874 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 8239150 ZMRFNNXFXCWNIF-STQMWFEESA-N 388.261 4.840 0 40 GJAB Fc1ccc(-c2noc(CSc3nc(C4CC4)n(-c4ccccc4)n3)n2)cc1 8326112 UMEBKEQKVPOLGL-UHFFFAOYSA-N 393.447 4.626 0 40 GJAB CCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)c1 8845826 MWYIOXNSKMWRDM-QFIPXVFZSA-N 391.471 4.526 0 40 GJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(Oc3cccc(C(=O)O)c3)cc2)c1 9356484 PHDXMZVWNGATGB-UHFFFAOYSA-N 397.452 4.595 0 40 GJAB Ic1ccc(NCc2ncc(-c3ccccc3)o2)cc1 10037778 SCYYBTBETWDYDP-UHFFFAOYSA-N 376.197 4.558 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCCCC2)cc1 10366362 SGAUORZQYWYOFT-UHFFFAOYSA-N 377.315 4.909 0 40 GJAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1N1CCCC1=O 10956892 UQXWUIVKGLWQDZ-UHFFFAOYSA-N 386.879 4.571 0 40 GJAB CCC(=O)Nc1cccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C 12544827 YKSRLYJUSRTSMV-UHFFFAOYSA-N 388.533 4.686 0 40 GJAB C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(-n2ccnc2)cc1 12547640 SHPOZTPONDTYSZ-INIZCTEOSA-N 390.512 4.682 0 40 GJAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)n1C 12776105 PKEODOSTNHGTJG-AWEZNQCLSA-N 398.532 4.800 0 40 GJAB Fc1ccc(/C=C2\CCCC3=C2N=C2N=CNN2[C@@H]3c2ccc(F)cc2)cc1 13122449 QLQTYYJYZIXFON-CZIOWHBQSA-N 376.410 4.746 0 40 GJAB COc1cc2cc(CNc3ccccc3-c3ccccc3)c(=O)[nH]c2cc1OC 13561329 DFGKBUIYLYTPHG-UHFFFAOYSA-N 386.451 4.824 0 40 GJAB Cc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2)cc1 13563777 VEAIKLMQJOILRU-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB O=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1C[C@H]1CCCO1 13637371 XOZKTYMQJXBPRT-OAQYLSRUSA-N 382.463 4.910 0 40 GJAB CC(C)c1ccc(-c2nonc2NC(=O)c2ccccc2Br)cc1 13692787 IOQCXZDVPKRCDO-UHFFFAOYSA-N 386.249 4.875 0 40 GJAB CCc1cccc(C)c1NC(=O)CN[C@@H](c1ccccc1)c1ccc(OC)cc1 14085788 LDAOXKVMFNTBQB-VWLOTQADSA-N 388.511 4.884 0 40 GJAB CN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 15940970 RLJRRMKQDDHJTP-OAQYLSRUSA-N 392.886 4.864 0 40 GJAB COc1ccccc1-c1nn(-c2ccccc2)cc1CN[C@@H](C)c1cccnc1 17318673 MGXUGVNLZHMVDN-SFHVURJKSA-N 384.483 4.794 0 40 GJAB Cc1ccc(-c2csnn2)cc1NC(=O)c1cc(-n2cccn2)ccc1Cl 19715132 CXXDJDZJGWJKSY-UHFFFAOYSA-N 395.875 4.605 0 40 GJAB NC[C@@H](c1ccc(/C=C\c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 19874844 JUZLLQQOVNWRMW-ZQJVVAQZSA-N 383.539 4.679 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)cc(C)c1Cl 20050064 TVKGTSWJRZESRI-MRXNPFEDSA-N 375.896 4.828 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 21625100 VACMCYHOGPVMTB-NRFANRHFSA-N 395.890 4.571 0 40 GJAB COc1cc(CNCCc2ccccc2F)ccc1OCc1ccccc1F 22074452 PEGIHYWFVGPCTB-UHFFFAOYSA-N 383.438 4.885 0 40 GJAB C[C@H](OC(=O)c1cccnc1Oc1ccccc1)c1nnc(-c2ccccc2)o1 23328653 CZYIOLILYNCXJK-HNNXBMFYSA-N 387.395 4.842 0 40 GJAB COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1Cl 27662732 YQIBLVPGXGFOMB-QGZVFWFLSA-N 392.952 4.757 0 40 GJAB CCc1ccc([C@@H](NCC(=O)N[C@H](C)c2ccccc2)c2cccs2)cc1 29939443 LKICQLZRSSVPIC-UZUQRXQVSA-N 378.541 4.867 0 40 GJAB COc1ccc(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 30856991 ICQVPDYEOCZAAW-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1ccc(F)cc1Cl 32755629 VVGLPPPOWNTGPS-UHFFFAOYSA-N 390.910 4.725 0 40 GJAB O=C(Nc1ccc(F)cc1)Nc1nc(SCc2ccc(F)cc2)ns1 35314234 UWQAHSSJHHYQEU-UHFFFAOYSA-N 378.429 4.753 0 40 GJAB CCCCC(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 36185246 NUMCFYGRVTVNID-LJQANCHMSA-N 380.488 4.623 0 40 GJAB Clc1ccc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)s1 39573249 CASDQKHOYPMSNN-UHFFFAOYSA-N 390.965 4.870 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44838073 NVZVVHWMUWDREU-UHFFFAOYSA-N 385.423 4.659 0 40 GJAB C[C@@H](NCc1ccc(Br)cc1F)c1ccc(NC(=O)C2CC2)cc1 45822187 KWTVZPBWVXIFHK-GFCCVEGCSA-N 391.284 4.788 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc(Br)c1 51354361 DRJWXFDQPCJCRM-UHFFFAOYSA-N 375.144 4.992 0 40 GJAB CCCCCc1ccc(NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1 54008675 NUFVRIQGZOYMRK-UHFFFAOYSA-N 393.531 4.846 0 40 GJAB COc1ccc(N(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)[C@H](C)C2CC2)cc1 58158911 RDRNTNYQTKTJSR-UZUQRXQVSA-N 395.499 4.698 0 40 GJAB O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1c(Cl)nc2ccccn12 65548690 NEGMNVXDVKDZFF-UHFFFAOYSA-N 395.821 4.958 0 40 GJAB O=C(CCOc1ccccc1)N1CCCC[C@@H]1c1n[nH]cc1-c1cccc(F)c1 72356346 PHSRIXBPAWXBFJ-OAQYLSRUSA-N 393.462 4.739 0 40 GJAB O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N(CCC(F)(F)F)C1CCC1 79055300 AZXJPYHOFAUEPF-UHFFFAOYSA-N 386.801 4.871 0 40 GJAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@H](c3cccs3)C(C)(C)C)c12 84066676 BKHSUNAWUYIBFY-GOSISDBHSA-N 382.533 4.733 0 40 GJAB CCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1cccc(Cl)c1 85397562 GFRGZQVSNLETEG-UHFFFAOYSA-N 388.876 4.801 0 40 GJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(F)c(F)c2F)SC1 95478152 LBKIFCCZQPFTHG-GOSISDBHSA-N 389.402 4.773 0 40 GJAB Cc1sc(NC(=O)c2ccccc2-c2cncnc2)nc1-c1ccc(F)cc1 95961050 DUJKBEWYKZDXIZ-UHFFFAOYSA-N 390.443 4.967 0 40 GJAB CCOC(=O)c1sc(NCC(C)C)nc1CSc1nc2ccccc2o1 98086786 IETRJZQJVHVDLJ-UHFFFAOYSA-N 391.518 4.821 0 40 GJAB Cc1ccc(Nc2nc(COC(=O)C3C[C@@H]4CCC[C@@H](C3)C4=O)cs2)cc1 101852162 ZULMCNHHEUPNND-GJZGRUSLSA-N 384.501 4.634 0 40 GJAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc(F)cc1Cl 207965336 WSGIWDNAHPWGFM-INIZCTEOSA-N 381.881 4.614 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223279940 CHPCXKYONBXKHC-MRXNPFEDSA-N 387.892 4.963 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 223396610 PLNYZODICOFZSP-QGZVFWFLSA-N 393.487 4.594 0 40 GJAB CCCc1ccc(OCCNC(=O)CCCOc2ccc(Cl)cc2)cc1 224146136 ZPNHBPQSNUNATH-UHFFFAOYSA-N 375.896 4.647 0 40 GJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)cc1 224959567 FVSQBANXKJPLCQ-UHFFFAOYSA-N 399.343 4.926 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccccc3Cl)ccc21 225158207 LCXVELGPVMWEFC-LBPRGKRZSA-N 390.892 4.703 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NCCSc2ccc(Cl)cc2)c1 225288477 ZTYMKNROLJCGBC-UHFFFAOYSA-N 394.949 4.595 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1 225812282 KFNGTULTRTXQBN-IBGZPJMESA-N 395.421 4.996 0 40 GJAB Cc1ccc(CNC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1 225830862 CFFUWIVHFXEGDA-UHFFFAOYSA-N 397.478 4.961 0 40 GJAB COCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c(C)n1 225866478 WLAFJXROTRFPRM-UHFFFAOYSA-N 382.504 4.564 0 40 GJAB CCOC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)c(OC)c1 226336976 DKLOXXFQFTZJNN-CSKARUKUSA-N 391.261 4.613 0 40 GJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccc(C)s3)CC2)n1 257243389 IGSWENLNIZGWCR-UHFFFAOYSA-N 395.528 4.997 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408604704 DVLCYVGVLHJDRW-UHFFFAOYSA-N 382.935 4.858 0 40 GJAB O=C(NCc1cncc(-c2ccco2)c1)Nc1nc(-c2ccc(F)cc2)cs1 575618387 MKUIEWQOJOJFON-UHFFFAOYSA-N 394.431 4.926 0 40 GJAB O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)C1(C(F)(F)F)CCOCC1 615040648 IPVQAHYZMLSMHC-UHFFFAOYSA-N 390.814 4.761 0 40 GJAB O=C(NCC1(c2ccsc2)CCOCC1)Nc1ccc(Cl)c(Cl)c1 952989787 NAHOYOPUUCFLSS-UHFFFAOYSA-N 385.316 4.925 0 40 GJAB O=C(CCc1cccc(Cl)c1)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775979062 YXUARHJLVVSDOG-LJQANCHMSA-N 385.916 4.851 0 40 GJAB COc1ccc(Br)cc1[C@@H]1Nc2ccc(C)cc2-c2cc(C)nn21 627835 BCYDNGZETYONBH-LJQANCHMSA-N 384.277 4.910 0 40 GJAB CC(=O)c1cnn(-c2cc(Oc3ccc(C)cc3)nc(-c3ccccc3)n2)c1C 632674 OZRLXBNQLOYBDV-UHFFFAOYSA-N 384.439 4.941 0 40 GJAB CCC[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(N)=O)C1 672720 YLSJUMBQFKQHJX-LLVKDONJSA-N 376.909 4.658 0 40 GJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2Br)cc1OC 957867 OZMHYEAMCCODSC-JXMROGBWSA-N 390.277 4.817 0 40 GJAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cn1)c1nc3ccccc3nc12 1020360 VLCBARWWNGCOCQ-FCHUYYIVSA-N 392.890 4.646 0 40 GJAB O=C(O)CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 1244971 WPRGAEQMKPNKCQ-QGZVFWFLSA-N 391.254 4.536 0 40 GJAB CCn1cc(C(=O)Nc2ccccc2Oc2ccccc2)c(=O)c2ccc(C)nc21 2662535 KZMSJCZLBNQKNU-UHFFFAOYSA-N 399.450 4.769 0 40 GJAB Cc1ccccc1N[C@@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl 3111579 FRTYWTQNHCOXRU-HNNXBMFYSA-N 375.658 4.672 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 3264284 JNBVEBXHXLVWAY-LLVKDONJSA-N 381.259 4.697 0 40 GJAB CCc1ccc(-c2nc(NC(=O)c3ccc(NC(C)=O)cc3)sc2C)cc1 3347324 ZGWRPZVBEXDVAF-UHFFFAOYSA-N 379.485 4.892 0 40 GJAB C[C@H]1CCc2sc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)(C)C)cc2C1 3382262 PRWASGYIAGQYHJ-INIZCTEOSA-N 399.556 4.857 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@H](C)N(C)Cc2cccc(Cl)c2Cl)c1 3390909 KNICYOQWVHYLHZ-LBPRGKRZSA-N 379.287 4.655 0 40 GJAB COc1ccc([C@]2(O)c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)cc1 4666695 XGAIFESAYXLYSE-NRFANRHFSA-N 385.246 4.831 0 40 GJAB COc1ccccc1N1CCN(CCCCCCOc2ccc(F)cc2)CC1 4808459 GTWFZIQZWKDHQG-UHFFFAOYSA-N 386.511 4.596 0 40 GJAB CCCC(=O)Nc1sc2ccccc2c(=O)c1C(=O)Nc1ccc(C)cc1 5030967 JSMQIGQCUFZKHE-UHFFFAOYSA-N 380.469 4.561 0 40 GJAB Brc1cc2c(cc1CSc1nc3ccccc3o1)OCCO2 5628687 SLWBJLLVTRNMDZ-UHFFFAOYSA-N 378.247 4.654 0 40 GJAB C[C@@H]1CCN(C(=O)COC(=O)c2c(F)cccc2Cl)c2ccccc2S1 5872083 ZDVYRHNJPITHLO-GFCCVEGCSA-N 393.867 4.553 0 40 GJAB O=S1(=O)c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1CCc1ccccc1 6276829 WSRQFGRXCBHQAD-OAQYLSRUSA-N 398.915 4.698 0 40 GJAB O=C(OCc1nc2ccccc2s1)c1csc(NCc2ccccc2)n1 6363052 STFUXXFMFYCYGO-UHFFFAOYSA-N 381.482 4.722 0 40 GJAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 6880230 IJCOEMYTFJVUBZ-MRXNPFEDSA-N 375.428 4.628 0 40 GJAB CCOc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)cc1 7141094 MCDJTYYHPCMQGQ-UHFFFAOYSA-N 391.423 4.673 0 40 GJAB COc1ccc(OC)c(Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c1 7307543 NTNOCEVQXDPOIJ-UHFFFAOYSA-N 398.509 4.560 0 40 GJAB Cn1c(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)nc2ccccc21 8134849 LYRUNYKLSZPABM-UHFFFAOYSA-N 394.544 4.685 0 40 GJAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1cccnc1 9749731 VXQBOPITVWCICW-MRXNPFEDSA-N 388.496 4.546 0 40 GJAB COc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1Cl 10386870 MGVLTAMRGQPMON-UHFFFAOYSA-N 386.242 4.875 0 40 GJAB C[C@H](SCc1ccc(Cl)cc1)C(=O)N1c2ccccc2NC(=O)C1(C)C 12576803 OURYRBWVTLHAOE-ZDUSSCGKSA-N 388.920 4.726 0 40 GJAB Cc1cccc(N2CCN(C(=O)c3csc(-c4ccc(Cl)cc4)n3)CC2)c1 12607831 GRNJLJFXCOUCGJ-UHFFFAOYSA-N 397.931 4.734 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(-c3ccccc3Cl)no2)c1 12739589 VKBVXAOXDUCHIA-SFHVURJKSA-N 399.878 4.744 0 40 GJAB C[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1Cl 12850262 IWRYUSJYMGEHIM-GXTWGEPZSA-N 391.298 4.762 0 40 GJAB C[C@H](OCCCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 12860990 CJFAOAVKMJZMKE-KRWDZBQOSA-N 396.462 4.697 0 40 GJAB COc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)ccc1OC(C)C 12939467 FBFGSNFIAGSXRP-ZDUSSCGKSA-N 392.293 4.736 0 40 GJAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1 12993712 QNXKKMQKBJEWJD-UHFFFAOYSA-N 388.427 4.727 0 40 GJAB CCCNC(=O)CSc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1 13128900 OCGRLAAPFDKQSC-UHFFFAOYSA-N 379.529 4.979 0 40 GJAB COC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2)sc2c1CCCC2 13786520 WIJKUYRSCCXHCN-UHFFFAOYSA-N 380.922 4.876 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(N2CCCC2=O)c1 14186032 XMBPHJDWLQATEQ-UHFFFAOYSA-N 395.846 4.683 0 40 GJAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)c(C)c1 14609725 CUKYJMPVKUWARL-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CC(=O)c1csc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 15200994 VSIUVDAGVDWDCV-UHFFFAOYSA-N 382.285 4.636 0 40 GJAB CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1 15517430 YKFNERQUXAVNDB-XMMPIXPASA-N 389.543 4.957 0 40 GJAB FC(F)(F)[C@H]1CCCN(Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C1 16354020 QIUVCUKIEKTGSS-AWEZNQCLSA-N 382.455 4.512 0 40 GJAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1F 17121050 WLUVSUXQMZOFEY-UHFFFAOYSA-N 392.459 4.575 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 25035310 AHXNPLBBWUSUMX-UHFFFAOYSA-N 395.484 4.754 0 40 GJAB C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)n1cc(Br)cn1 28224664 KFDGEBUSKCINMA-ZDUSSCGKSA-N 386.249 4.638 0 40 GJAB COc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OCc1cscn1 30573715 JJRQFXXGUZOAOJ-UHFFFAOYSA-N 397.481 4.593 0 40 GJAB O=C([C@@H]1Cc2ccccc2S1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 31318008 XMNAOHLKXGOCNJ-SFHVURJKSA-N 377.431 4.913 0 40 GJAB COc1cc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc2c1O[C@@H](C)C2 32001503 DLCJTHAHZMYYOF-HNNXBMFYSA-N 399.450 4.586 0 40 GJAB O=C(Cn1ccc2c(Cl)cccc21)N1CCC(c2noc3ccccc23)CC1 32646415 LIGSHCWURIFNPD-UHFFFAOYSA-N 393.874 4.842 0 40 GJAB CCOc1ccc(-c2noc(CSc3nnc(C4CCCCC4)o3)n2)cc1 32778360 OOYDFCPRYOKMSK-UHFFFAOYSA-N 386.477 4.858 0 40 GJAB CCc1ccc2[nH]c(CSCC(=O)Nc3ccccc3CC)cc(=O)c2c1 33064283 BOMPEFRUJXKVTH-UHFFFAOYSA-N 380.513 4.525 0 40 GJAB COc1ccc(-c2nc3cnccn3c2Nc2cccc(Cl)c2)cc1OC 35616138 NLCAMRNYQYXXFW-UHFFFAOYSA-N 380.835 4.811 0 40 GJAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2)c1OC(C)C 36353029 LVONHAQQHXFGDR-KRWDZBQOSA-N 377.444 4.792 0 40 GJAB O=C(Nc1cccc(-c2cnco2)c1)c1cccnc1SCC(F)(F)F 40152466 MIQJMYSEBVECHL-UHFFFAOYSA-N 379.363 4.643 0 40 GJAB CCOc1ccc(CCC(=O)Nc2ccccc2Br)cc1OCC 44883762 DKMVXRCBIDGWLT-UHFFFAOYSA-N 392.293 4.818 0 40 GJAB C[C@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1cccc(C(F)(F)F)c1 47932208 GUPFOODUBMMJFJ-VIFPVBQESA-N 393.390 4.508 0 40 GJAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)Nc1cccc(C(F)(F)F)c1 49520997 ANNYHMJFGUQCHX-UHFFFAOYSA-N 396.384 4.714 0 40 GJAB O=C(O)c1ccc(COc2ccccc2[C@H]2NN=C(c3ccccc3)S2)cc1 59409013 XJOOZUCHFDQSEF-NRFANRHFSA-N 390.464 4.661 0 40 GJAB CN(C(=O)c1nn(-c2ccccc2)c2c1CCCCC2)c1c(F)cccc1F 60543908 HBYKYIGLANCRHJ-UHFFFAOYSA-N 381.426 4.696 0 40 GJAB Cc1ccc2c(C(=O)N3CCC[C@H](C)C3)cc(-c3cnn(C(C)C)c3)nc2c1 63883766 OOSOWFGDGLOFFZ-KRWDZBQOSA-N 376.504 4.860 0 40 GJAB CCn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2ccccc21 64960892 PWWUCYDXZSVIGQ-UHFFFAOYSA-N 385.345 4.757 0 40 GJAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(F)c(F)cc1Cl 70755444 GPDYTWZWQSDBQE-UHFFFAOYSA-N 392.814 4.698 0 40 GJAB Cc1ccc2nc(C3CN(C(=O)Cc4ccc(SC(C)C)cc4)C3)[nH]c2c1 77099563 ABRXOWAYKPZCRO-UHFFFAOYSA-N 379.529 4.540 0 40 GJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2nc3ccccc3s2)C1 77200202 DPCPUSCCSDWXJS-CVEARBPZSA-N 395.484 4.586 0 40 GJAB CCSCCC(=O)OC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 78822708 CJAWABOAXZHFMF-CRAIPNDOSA-N 389.483 4.775 0 40 GJAB CN(C)c1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1Cl 83854318 ZLCAFWONQRFVAK-UHFFFAOYSA-N 389.286 4.557 0 40 GJAB CC(C)(C)CC(=O)Nc1ccc(CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 89919728 POBCVWYZDGSSEO-UHFFFAOYSA-N 396.487 4.750 0 40 GJAB CCOc1cc(CO)c(Br)cc1OCc1ccc(F)cc1Cl 95095072 YFVIVFQAFXLPIJ-UHFFFAOYSA-N 389.648 4.712 0 40 GJAB O=C(Nc1ccc(CC[C@@H](O)c2ccccc2)cc1)c1cnc(C2CC2)s1 95410017 PIZXZZKJYLBSGY-LJQANCHMSA-N 378.497 4.939 0 40 GJAB C[C@@H](C(=O)N[C@@H](CO)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 95471311 GSGIRQPJSSVRGZ-PEBXRYMYSA-N 392.886 4.928 0 40 GJAB Cc1ccc(C2=C[C@@H](c3cc(Br)ccc3F)n3ncnc3N2)cc1 101352799 PAFTYJKFWSEELQ-KRWDZBQOSA-N 385.240 4.544 0 40 GJAB Cn1nc(-c2cccs2)cc1C(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 206873458 JJEWBCUYMKMUGR-INIZCTEOSA-N 383.492 4.698 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219356106 VTMCXHMLABMKSF-QFIPXVFZSA-N 389.451 4.722 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCCc1ccccc1Cl 219681290 WNTRPNOZVLGRCO-ZDUSSCGKSA-N 396.712 4.619 0 40 GJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)o2)c1 224846591 YZRNQIXBEZQEMJ-UHFFFAOYSA-N 390.361 4.940 0 40 GJAB S=C(NCc1ccco1)Nc1cccnc1Sc1ccc(Cl)cc1 225191119 USPPYLABXXFVFZ-UHFFFAOYSA-N 375.906 4.966 0 40 GJAB COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CC2)cc1C(F)(F)F 225956535 KODMIZVVEMFXHS-UHFFFAOYSA-N 393.405 4.709 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C)c(O)c(Br)c2)c1 226243158 LUSLRQJHRBUPTK-UHFFFAOYSA-N 392.293 4.912 0 40 GJAB CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cccs3)C[C@@H]21 227487110 MIFOYGKZZZWSPE-UWJYYQICSA-N 377.469 4.784 0 40 GJAB COc1cc(CNc2cccc(C(=O)O)c2)cc(Br)c1OC(C)C 408614229 ZYFCQOSIGSAVMF-UHFFFAOYSA-N 394.265 4.555 0 40 GJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 409019472 ZHJOIAILLCDBHM-VAKHEIKFSA-N 385.441 4.788 0 40 GJAB C[C@@H]1C[C@H](CCNC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)CCO1 543381933 VKISFIYNGZJYGP-PWHSHALESA-N 378.516 4.701 0 40 GJAB O=C(Nc1cccc(CSC2CCOCC2)c1)c1cc(-n2cccc2)ccn1 553632649 BEGVOFXPCUHIQM-UHFFFAOYSA-N 393.512 4.537 0 40 GJAB Cc1cc(Oc2ccc(CN[C@@H](C)[C@@H](O)C(F)(F)F)c(Cl)c2)ccc1F 1560555202 FEOXVONWCJLXSA-APPDUMDISA-N 391.792 4.981 0 40 GJAB Cc1nc(CNC(=O)c2ccc(-c3cn[nH]c3)cc2)oc1-c1ccc(Cl)cc1 1587939321 YKYJSFMUPANHCM-UHFFFAOYSA-N 392.846 4.624 0 40 GJAB Cc1cc(Nc2ccc3c(c2)CNCCCCCCCN3C(=O)C(C)C)n(C)n1 2037931577 RXBQPPQBTQPFNO-UHFFFAOYSA-N 397.567 4.515 0 40 GJAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1ccco1 803511 AYDAMERZVGNUCC-UHFFFAOYSA-N 378.428 4.880 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1C 1064587 OVJWLVXHXBHJIQ-LJQANCHMSA-N 386.495 4.579 0 40 GJAB N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccccc2Cl)o1 1242768 KJVYLKLFUDZPSV-INIZCTEOSA-N 384.892 4.739 0 40 GJAB CCOc1ccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 1370530 DIUYXOZZHBREHZ-VXKWHMMOSA-N 396.506 4.540 0 40 GJAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 1447928 HQHCQDBRESKKDH-CYBMUJFWSA-N 386.831 4.752 0 40 GJAB biogenic CCCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CCC(C)C 2373477 MQLCYQSGWCAOSR-UHFFFAOYSA-N 399.560 4.856 0 40 GJAB CSc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 3241949 YGKQQBKPLBROMW-UHFFFAOYSA-N 391.492 4.795 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)Nc1ccc(Cl)cc1 4304996 UBYNUOTWBNXRDC-LJQANCHMSA-N 381.863 4.859 0 40 GJAB COc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccc(F)cc1 4413595 LNJVCQUMTVGPDZ-UHFFFAOYSA-N 386.854 4.752 0 40 GJAB O=C(NCc1ccccc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn12 4771074 ROGBOJPWOZCLQA-UHFFFAOYSA-N 388.854 4.759 0 40 GJAB COc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@H](c2ccco2)C1 4994213 JRVIJLFPOKIHIE-SFHVURJKSA-N 380.831 4.933 0 40 GJAB Cc1cccc(C)c1OC[C@H](O)Cn1c(Cc2ccccc2)nc2ccccc21 5588399 KAMFCOUZNINTFZ-OAQYLSRUSA-N 386.495 4.684 0 40 GJAB Cc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1Cl 5612279 LGTOFGCEDZJQGM-UHFFFAOYSA-N 393.870 4.962 0 40 GJAB Cc1cccc(OCCSc2nc(-c3ccccc3Br)n[nH]2)c1 6066793 LXVURBSLIJGIRD-UHFFFAOYSA-N 390.306 4.714 0 40 GJAB O=C(COc1ccc(-c2nnco2)cc1)Nc1ccccc1Oc1ccccc1 7433569 RNCSBPDTPSHKPI-UHFFFAOYSA-N 387.395 4.546 0 40 GJAB CC(C)[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1cccs1 7925049 NBPRBKWTGKGBKW-QFIPXVFZSA-N 393.508 4.871 0 40 GJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc3ccccc3c2)CC1=O 7929331 FLZZERJQVZPXMZ-OAQYLSRUSA-N 387.479 4.923 0 40 GJAB COc1ccc(CCNCc2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 8474373 HOTDFPQMVCZZNY-UHFFFAOYSA-N 395.474 4.754 0 40 GJAB O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc(F)cc1F 8704113 LBJIVLWKTHDQGV-UHFFFAOYSA-N 397.303 4.605 0 40 GJAB Cn1c(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)nc2ccccc21 8807790 PERKSWQBSINYDB-UHFFFAOYSA-N 398.488 4.567 0 40 GJAB Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)c2cnc3onc(C(C)C)c3c2)cc1C 9255994 UQYFDHSACAUNOX-OAHLLOKOSA-N 380.444 4.700 0 40 GJAB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1Cl 9668128 XYMGFDOMXAVETB-UHFFFAOYSA-N 391.899 4.596 0 40 GJAB Cc1ccc(CN(C)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c(C)c1 9792033 KJQHBQHJPUMQIW-QFIPXVFZSA-N 382.504 4.613 0 40 GJAB COc1ccc2cnc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cc2c1C 12187873 VSOVPAZJEZESDX-LJQANCHMSA-N 392.474 4.640 0 40 GJAB CCn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nc2ccccc21 12544610 CTOPHWCLGACBDC-UHFFFAOYSA-N 393.556 4.630 0 40 GJAB COc1cccc(-c2nc(CSc3nc(-c4cccs4)n[nH]3)cs2)c1 12590383 ZOEGXSBVUHNUEG-UHFFFAOYSA-N 386.527 4.958 0 40 GJAB O=C(NCCCn1ccc2ccccc21)c1c[nH]c2ccc(Br)cc12 12750277 VYDHSHTXWLPIOG-UHFFFAOYSA-N 396.288 4.705 0 40 GJAB Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)c1 12881583 KWFXGEOWSPNTBN-UHFFFAOYSA-N 388.939 4.700 0 40 GJAB CC[C@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccc(Br)cc1 12971748 PVOMBNUWRRFLPE-AWEZNQCLSA-N 392.322 4.587 0 40 GJAB CCn1c(=O)c(CNc2ccc(N3CCCCC3)cc2)cc2ccc(OC)cc21 13564219 AAHNIVDLENOSQO-UHFFFAOYSA-N 391.515 4.632 0 40 GJAB Cc1ccc(-c2nc(CNC(=O)COc3ccc(C(C)C)cc3)cs2)cc1 15832591 AEMYDAAGINGACM-UHFFFAOYSA-N 380.513 4.937 0 40 GJAB O=C(C1[C@H]2CCCC[C@@H]12)N(Cc1cccc(F)c1)Cc1ccc2c(c1)OCO2 19293768 DUAGRDVDWHWIBB-QIDMFYOTSA-N 381.447 4.519 0 40 GJAB CC[C@@H](C)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 19499764 MSZBFFCJMHTULJ-CQSZACIVSA-N 397.544 4.508 0 40 GJAB CCc1c(C(=O)N2CCC[C@](O)(c3ccc(F)cc3)CC2)[nH]c2ccc(F)cc12 19521921 HILKCPZPPQESPK-HSZRJFAPSA-N 398.453 4.522 0 40 GJAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSCc1ccco1 20453378 YBIYWNQLJPQPDT-UHFFFAOYSA-N 390.357 4.869 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccccc1OC 20454015 QNQLCJSXKGOWRO-JOCHJYFZSA-N 377.484 4.755 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)c1sc(N(C)c2ccccc2)nc1C 22245593 BHCAXXSPXYEIAK-AWEZNQCLSA-N 381.501 4.719 0 40 GJAB Cc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1Cl 28406061 DOYKAQNGMQCSRZ-UHFFFAOYSA-N 375.863 4.862 0 40 GJAB CCCCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc(C)c1C 29626919 NTENFPXIZOAFPE-UHFFFAOYSA-N 376.551 4.507 0 40 GJAB CN(Cc1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2)C1CCCCC1 32716527 TTXYPUGIARCRBM-WYMLVPIESA-N 392.499 4.832 0 40 GJAB c1nc(Sc2nnc(NC3CC3)s2)c2c3c(sc2n1)CCCCC3 32735910 WRYOVYNUWYXFBQ-UHFFFAOYSA-N 375.548 4.537 0 40 GJAB Clc1ccccc1-c1noc(Cc2nc(-c3ccc4c(c3)OCO4)cs2)n1 33298262 SRCONCNZRSKGKM-UHFFFAOYSA-N 397.843 4.833 0 40 GJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1sccc1-n1cccc1 40052469 XXQYSRJRZUHLIQ-UHFFFAOYSA-N 386.427 4.556 0 40 GJAB CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(N(C)C)cc3C)c12 40111717 MEBWZMMSGSRTKW-UHFFFAOYSA-N 378.476 4.679 0 40 GJAB C[C@H](NCC(=O)Nc1ccc(CN2CCCC2)cc1)c1cccc2ccccc12 57406583 XVXWCHUJWFTGFC-IBGZPJMESA-N 387.527 4.725 0 40 GJAB O=C(/C=C/c1cc2cc(Cl)ccc2o1)Nc1ccc(N2CCOCC2)cc1 67339249 VXLBUVUHXDNNDS-SOFGYWHQSA-N 382.847 4.575 0 40 GJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc(-c2cccs2)no1 71844192 YECOARUIDYTSBF-QZTJIDSGSA-N 395.528 4.916 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 80329311 OVBDHPPRUUYMEV-QRWLVFNGSA-N 390.936 4.539 0 40 GJAB COC(=O)c1sc2nc(C)nc(Sc3ccc(C(F)(F)F)cn3)c2c1C 95347484 ITESLEFHAFJAPC-UHFFFAOYSA-N 399.419 4.660 0 40 GJAB O=C(Nc1c(F)cccc1F)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 96097356 UIBQKICEVGZJCK-OAHLLOKOSA-N 387.213 4.877 0 40 GJAB O=C(CSCc1ccccc1)Nc1ccccc1-c1cn2ccsc2n1 206893953 VVQRIYOMPUTUJM-UHFFFAOYSA-N 379.510 4.935 0 40 GJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1nc2ccc(Br)cc2[nH]1 213895610 ARBSSFMNBROROX-CQSZACIVSA-N 380.286 4.788 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 216482199 CMBLGEAXXBFGDS-DYESRHJHSA-N 382.504 4.628 0 40 GJAB COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223321343 YWYPPVCRNYZTGQ-DLBZAZTESA-N 385.504 4.780 0 40 GJAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223393373 JFZLPHRNDBCHHG-LEWJYISDSA-N 376.529 4.637 0 40 GJAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COCc1ccccc1 224458079 HBCSXDLZPYVDQR-SFHVURJKSA-N 375.468 4.903 0 40 GJAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)N1CCCCCC1 225339791 SVCMUYGHFHYYTK-UHFFFAOYSA-N 377.513 4.817 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OCC)ccc1OCC(C)C 225819011 ZIAUWAYZISFQAV-JOCHJYFZSA-N 393.524 4.678 0 40 GJAB COc1ccc(-c2noc(CCC(=O)Nc3c(Cl)cccc3Cl)n2)cc1 225821871 FWSNXDCSXCMQAX-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)c2nc(N)sc2c1 226314213 XOJUMWRNROBWAW-UHFFFAOYSA-N 383.860 4.946 0 40 GJAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(F)cc2)o1 226756140 XWCNUZLUBIYKAJ-UHFFFAOYSA-N 389.224 4.991 0 40 GJAB Cc1c(F)cccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 409155286 IFGGGULCKASEFA-UHFFFAOYSA-N 377.828 4.568 0 40 GJAB CC(C)Sc1ccc(CC(=O)N2CC[C@H](n3cnc4ccccc43)C2)cc1 575617696 QJQQZJOFTVTEKJ-SFHVURJKSA-N 379.529 4.553 0 40 GJAB C[C@H](C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccccc1 1543193400 GVMATGQKXYLGRY-SGTLLEGYSA-N 382.262 4.836 0 40 GJAB CC(=O)N1CCCCCCN(C(=O)c2c(F)cccc2F)Cc2ccccc21 2037885071 WCNSGGHMGSQWHG-UHFFFAOYSA-N 386.442 4.534 0 40 GJAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1)c1cccc(Cl)c1 1370514 BXUPEAIAVQPVLA-SFTDATJTSA-N 386.898 4.795 0 40 GJAB CC(C)OC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@@H](C)C3 1377255 CYNURRHXNODBOZ-LLVKDONJSA-N 376.547 4.737 0 40 GJAB Fc1ccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2cccs2)cc1 1377799 SBHWBLBEOKBHTA-ROUUACIJSA-N 389.565 4.759 0 40 GJAB Cc1cccc(C)c1CN1C(=O)[C@H]2CSCN2c2ccc(C(F)(F)F)cc21 1384513 PDRFPDKJTNXYFQ-GOSISDBHSA-N 392.446 4.748 0 40 GJAB CCc1nc(SCC(=O)N(C)c2ccccc2)c2c3c(sc2n1)CCCC3 2358985 CEVSQUFLTGGIBE-UHFFFAOYSA-N 397.569 4.888 0 40 GJAB COc1ccccc1-c1nnc(SCc2csc(-c3ccccc3)n2)n1C 2629947 JCELWMZEJIHEIP-UHFFFAOYSA-N 394.525 4.907 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)cc1OC 2752324 JMZHPAOLAXBPJI-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB Oc1n[nH]cc1-c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 3048627 BEUSMJGQFMPDMI-UHFFFAOYSA-N 378.741 4.793 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2cccnc2Cl)c2ccccc2)c1 3220939 UHLSOVVUWBQVLJ-LJQANCHMSA-N 394.858 4.889 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)/C=C/c1ccco1)c1ccccc1 3221237 HOJJVCQOYUTKBB-JXVRESAISA-N 391.423 4.615 0 40 GJAB COc1ccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1 3370180 PZSJPUNMJCBCDK-SFQUDFHCSA-N 399.493 4.541 0 40 GJAB CC(C)(C)n1nc2c(c1NC(=O)COc1ccc3ccccc3c1)CSC2 4087647 WRMGQHKUSGPTAE-UHFFFAOYSA-N 381.501 4.556 0 40 GJAB Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=O)c3ccccc3)c(=O)[nH]c2c1 4231034 RSGKGLAJTASMMX-UHFFFAOYSA-N 396.490 4.988 0 40 GJAB O=S(=O)(Nc1cccc(Br)c1)c1cc(Cl)ccc1Cl 4599004 YWEFFZOTNJNZOR-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CC[C@@H](C)C4)cc1 4735794 WVPZOPLJXQLRTN-CYBMUJFWSA-N 385.485 4.675 0 40 GJAB Cc1cccc2sc(N(Cc3ccccn3)C(=O)COc3ccccc3)nc12 5264836 FQRAEGQRODAMHR-UHFFFAOYSA-N 389.480 4.612 0 40 GJAB COc1ccc(OC)c(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)c1 6839897 MGQCHWAWCCZOJT-UHFFFAOYSA-N 377.868 4.807 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(Oc2ccccc2)c1 8405847 LXBJEJRIACSLGV-NRFANRHFSA-N 376.456 4.639 0 40 GJAB Cc1cccc(C)c1OCC(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8673483 SGVMMQSYJWWQEM-HXUWFJFHSA-N 387.907 4.543 0 40 GJAB Cc1nc(NC(=O)c2ccn(COc3ccc(C(C)(C)C)cc3)n2)sc1C 8782577 UVPPXCKTOSIXJT-UHFFFAOYSA-N 384.505 4.543 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NC[C@H](c1ccsc1)N1CCCCCC1 8863016 MPEANACPRZNZSN-LJQANCHMSA-N 376.953 4.678 0 40 GJAB C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 8987593 NBDUAKUJJBBMGA-GOSISDBHSA-N 387.483 4.743 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9514710 LTFVCNDJQLHWMV-OAQYLSRUSA-N 390.483 4.626 0 40 GJAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 9909899 LWEOQRDRUCTQCZ-UHFFFAOYSA-N 395.455 4.728 0 40 GJAB O=C(CSc1cc(-c2ccccc2)ncn1)Nc1cccc(C(F)(F)F)c1 11903060 JHEADPDHKCFMJW-UHFFFAOYSA-N 389.402 4.893 0 40 GJAB CC[C@@H](C(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1)c1ccccc1 12183935 PBVUFESJGQMIJS-GOSISDBHSA-N 392.524 4.911 0 40 GJAB O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccc2ncsc2c1 12604500 NAEOKELYTUEMLD-UHFFFAOYSA-N 376.466 4.925 0 40 GJAB Cn1c(C[C@H](NC(=O)c2cc(F)cc(F)c2)c2ccccc2)nc2ccccc21 12628972 WMKREJOJTHRRAZ-FQEVSTJZSA-N 391.421 4.565 0 40 GJAB O=C(Nc1cc(F)ccc1F)c1cc(Br)c(Br)s1 12772540 SQNFLFBDXHQLGF-UHFFFAOYSA-N 397.038 4.804 0 40 GJAB COc1cccc([C@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)c1 12800820 UXDGCIPBXRUWLO-MRXNPFEDSA-N 386.300 4.528 0 40 GJAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 12814402 CTIPINMHZASZLK-UHFFFAOYSA-N 389.430 4.843 0 40 GJAB Cc1sc2ncnc(SCC(=O)N[C@@H](C)c3ccc(F)c(F)c3)c2c1C 14234316 NVZGKYKQXDKSRP-JTQLQIEISA-N 393.484 4.556 0 40 GJAB Cc1cc(C)c(CNc2nc(-c3cccs3)nc3sc(C)c(C)c23)c(=O)[nH]1 14242599 HWOYQJIZFYJIRC-UHFFFAOYSA-N 396.541 4.954 0 40 GJAB CCOc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 14709762 SPPOIFLRPRFWLG-UHFFFAOYSA-N 379.435 4.541 0 40 GJAB CC(C)c1nc2ccc(NC(=O)c3ccccc3Cn3ccnc3)cc2s1 19453861 WKTSTHWYXWVZED-UHFFFAOYSA-N 376.485 4.917 0 40 GJAB CN(CCOc1ccc(Cl)cc1)Cc1c([C@H]2CCCO2)[nH]c2ncccc12 19586152 WDVCJFZGMIFMRZ-LJQANCHMSA-N 385.895 4.579 0 40 GJAB O=C(Nc1ccccc1OCc1ccccn1)c1ccc(N2CCCCC2)cc1 19716065 YBVBTWPNBWDJGA-UHFFFAOYSA-N 387.483 4.903 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCc2ccccc21 20458260 IQTSEVSJONHWFE-HSZRJFAPSA-N 388.511 4.566 0 40 GJAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(CC)cc4)cc3n2)cc1 20610225 WWMWHKAJYFROTO-UHFFFAOYSA-N 386.455 4.634 0 40 GJAB COc1ccccc1N1CCN(Cc2nc3ccccc3c(C)c2Cl)CC1 20680486 ZFQCEQCCILLQDM-UHFFFAOYSA-N 381.907 4.527 0 40 GJAB Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)no2)cc1 21800589 SDGUPVQNRDVJCB-MRXNPFEDSA-N 379.460 4.883 0 40 GJAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc2[nH]c3c(c2c1)CCCC3 22238240 YKDQUHHUAGDOEK-UHFFFAOYSA-N 394.544 4.741 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1OC 22534777 YYYIPYSONXHELO-HXUWFJFHSA-N 399.531 4.617 0 40 GJAB Cc1cc(Cl)cc2sc(N(C[C@@H]3CCCO3)C(=O)C3CCCC3)nc12 22890514 SVRLGUUYZATGJT-HNNXBMFYSA-N 378.925 4.960 0 40 GJAB CC(=O)c1c(C)cc(C)c(CSCCC(=O)Nc2ccc3c(c2)OCO3)c1C 27187310 KAKZIBGAWYMWJJ-UHFFFAOYSA-N 399.512 4.805 0 40 GJAB COc1ccccc1O[C@H](C)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 27664490 XCXCFACPLURJPM-GFCCVEGCSA-N 388.876 4.878 0 40 GJAB Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)N2CCCCCC2)cc1 27741264 GTSHYXJWGRBJLR-HSZRJFAPSA-N 394.559 4.724 0 40 GJAB Cc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)cs2)cc1 31411740 BFGYFZSSPZUBCH-UHFFFAOYSA-N 382.554 4.711 0 40 GJAB CC(=O)Nc1cccc([C@H](C)NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1 32816616 GJJRRVRIQWMNCI-INIZCTEOSA-N 378.516 4.852 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C2CC2)[C@H](C)C2CC2)cs1 32827450 GILZLYJKOJXXRT-NRMKIYEFSA-N 395.528 4.630 0 40 GJAB CC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(C)c(C)c1 44856526 GXLZQHCYFXYIOC-HSZRJFAPSA-N 382.523 4.922 0 40 GJAB O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCCCCC1 46768361 QDKOYJAZUQAMAT-UHFFFAOYSA-N 375.266 4.653 0 40 GJAB O=C(Nc1cccc(NC(=O)N2CCC[C@H]2c2ccsc2)c1)c1cccnc1 48332056 LMTBNLAZTRZOEW-IBGZPJMESA-N 392.484 4.764 0 40 GJAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1cc(F)ccc1Cl 51356093 ZMBDLUIRORNUIM-UHFFFAOYSA-N 376.598 4.581 0 40 GJAB CCOC(=O)c1c(C)oc2nc(CS[C@H]3CCCc4ccccc43)nc(N)c12 64331838 UVAJXUWIEXFZPX-HNNXBMFYSA-N 397.500 4.601 0 40 GJAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 65322200 WGWPZSJXYGREDC-UHFFFAOYSA-N 382.552 4.951 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1c2ccccc2C[C@H]1C 65517752 AJUXDUZSIBDOCJ-CYBMUJFWSA-N 383.854 4.624 0 40 GJAB Cc1noc2ncc(C(=O)N(C3CC3)[C@@H](C)c3cccc(C(F)(F)F)c3)cc12 65565263 SZKPNFXZEYKQGL-LBPRGKRZSA-N 389.377 4.916 0 40 GJAB Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)Nc2ccccc2)CCO3)s1 67921421 RCEQSXVZTZZYFJ-UHFFFAOYSA-N 380.469 4.856 0 40 GJAB CCc1ncc(CN2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1 72356234 JQWMRAXKIMYYOE-HSZRJFAPSA-N 386.543 4.713 0 40 GJAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc(-c2ccccn2)cs1 72403123 RMKRSMPIQJYECS-UHFFFAOYSA-N 395.875 4.511 0 40 GJAB Cc1cc(NC(=O)c2cccnc2N2CCCCC2)ccc1Oc1cccnc1 84093803 IYVMSFRWDKCFDC-UHFFFAOYSA-N 388.471 4.820 0 40 GJAB CC1CCN(c2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)CC1 141541715 WUNCUAJMGQQYCX-NRFANRHFSA-N 378.516 4.955 0 40 GJAB CC1CCN(Cc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)CC1 222706682 DCPKOTJSHHAQJH-UHFFFAOYSA-N 392.528 4.689 0 40 GJAB Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)c1 222974673 AFROBNVTSPNDEP-HXUWFJFHSA-N 390.571 4.963 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)c1cc(OC)ccc1OC 223693895 IJJWHNYUXRIFJL-OPAMFIHVSA-N 397.515 4.617 0 40 GJAB Cc1c(Cl)cnc(NC(=S)N[C@H](C)c2ccccc2)c1Br 223955816 OSJKXDFENHRSLK-SNVBAGLBSA-N 384.730 4.854 0 40 GJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H](C)c1ccccc1C 224052192 XWWGIEVSFMNWCF-OSVNEOKWSA-N 388.467 4.545 0 40 GJAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(C)cc1 224125745 NXMLKGHWYDSEGJ-UHFFFAOYSA-N 375.468 4.855 0 40 GJAB C[C@H](O)c1ccc(C2(CNC(=O)c3c(F)cccc3Cl)CCCC2)s1 225681310 UDVKYEGEZHYKAV-LBPRGKRZSA-N 381.900 4.836 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)NCc1cccnc1-c1cccs1 225761211 OKBDPKVXAMVLMG-UHFFFAOYSA-N 393.295 4.812 0 40 GJAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)C(C)C 225761665 SCFHHYYZMVHHGY-NRFANRHFSA-N 381.545 4.806 0 40 GJAB O=C1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2c1cccc2C(F)(F)F 225827237 DYFZYQLKYWUSHD-UHFFFAOYSA-N 393.380 4.845 0 40 GJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225845701 NBONLYYXWIIFTF-KSFYIVLOSA-N 393.524 4.965 0 40 GJAB CCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 408628014 PLFFJLNNJWXFMZ-UHFFFAOYSA-N 395.484 4.688 0 40 GJAB CC(C)CN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O 409132651 LEJDGPYUFAYUCD-RZNTYIFUSA-N 379.279 4.623 0 40 GJAB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OC 409144093 NYCBADIQSVIGFY-MHWRWJLKSA-N 395.908 4.974 0 40 GJAB COc1ccc(Nc2nc(C(=O)N(C)[C@H]3CCc4ccccc43)cs2)cc1 525372367 IHNSEESJACLWDT-IBGZPJMESA-N 379.485 4.655 0 40 GJAB O=C(Nc1cccnc1Oc1ccccc1)N1CCC[C@@H](Oc2ccccc2)C1 603566725 MBYZBBLPMSPCEV-HXUWFJFHSA-N 389.455 4.949 0 40 GJAB C[C@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)c1ccccc1 656501287 ZUTJZVFWUFIVRD-NSHDSACASA-N 388.290 4.598 0 40 GJAB Cc1cccc(CC(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 1538219627 LGWAUCIHNREQJG-QFIPXVFZSA-N 386.486 4.548 0 40 GJAB O=C(N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cc2ccc(Cl)cc2[nH]1 1624702745 HMASTYYYENEEGB-HNNXBMFYSA-N 396.796 4.694 0 40 GJAB O=C(COc1ccccc1)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1 670603 KSQOWGLMCAVRQE-UHFFFAOYSA-N 380.831 4.610 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 853653 RFHMJDASVPAOJR-UHFFFAOYSA-N 383.542 4.918 0 40 GJAB CCOc1ccccc1NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 868244 UQFOFHYJNDHUJJ-UHFFFAOYSA-N 378.211 4.751 0 40 GJAB Cc1cc(SCC(=O)c2ccccc2)nc(SCC(=O)c2ccccc2)n1 872704 SOHQSTGLORBSSF-UHFFFAOYSA-N 394.521 4.735 0 40 GJAB Clc1cccc(Nc2ncnc3ccc(I)cc23)c1 955103 CNKANCDTJANEMF-UHFFFAOYSA-N 381.604 4.631 0 40 GJAB Cc1cccc(C)c1CN1C(=O)[C@@H]2CSCN2c2ccc(C(F)(F)F)cc21 1384512 PDRFPDKJTNXYFQ-SFHVURJKSA-N 392.446 4.748 0 40 GJAB CC(=O)N1C=CN(C(C)=O)[C@@H](c2c[nH]c3ccccc23)[C@@H]1c1c[nH]c2ccccc12 2297365 KYAXDNWIUHATAE-ZEQRLZLVSA-N 398.466 4.613 0 40 GJAB CCCCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3cccc(C)c3nc21 2414575 AWNDSOQAJQYDRA-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB Cc1cc(C)n(-c2nc(SC(C)C)c3c4c(sc3n2)COC(C)(C)C4)n1 2423332 AMCYHXYEERHOTJ-UHFFFAOYSA-N 388.562 4.846 0 40 GJAB CCCCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2799125 FFAKSMLEBRZOFX-LBPRGKRZSA-N 383.439 4.559 0 40 GJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCC(C)C)cc1 3238883 IELWCGAKHBPVBX-UHFFFAOYSA-N 384.501 4.941 0 40 GJAB COc1ccc(-c2nc(NC(=O)CCCOc3ccccc3)sc2C)cc1 3431160 WQVYFNWITDRMQR-UHFFFAOYSA-N 382.485 4.925 0 40 GJAB CCOc1ccc(Oc2ccc(NS(=O)(=O)c3ccccc3F)cc2)cc1 3581202 XDWSGGFUMFFYFZ-UHFFFAOYSA-N 387.432 4.818 0 40 GJAB COc1ccccc1Cn1cc(C(=O)c2ccc(C)c(C)c2)c(=O)c2ccccc21 4937166 YQDAFXGKJCXJDP-UHFFFAOYSA-N 397.474 4.906 0 40 GJAB Cc1cc(C)c(NC(=O)CNC(=O)CSc2c(C)c(C)cc(C)c2C)c(C)c1 5039623 IUDKTPMUFGGEBV-UHFFFAOYSA-N 398.572 4.693 0 40 GJAB O=C(COc1ccccc1C1SCCS1)N[C@@H]1CCCc2ccccc21 6586302 ZMMFAVIFCCDVJY-GOSISDBHSA-N 385.554 4.738 0 40 GJAB O=c1[nH]c2ccc(NCc3ccc(OCc4ccccc4Cl)cc3)cc2[nH]1 6662783 MZNZLSUZZLCLGE-UHFFFAOYSA-N 379.847 4.701 0 40 GJAB Cc1cccc(C)c1NC(=O)CSCCOc1ccc(Br)cc1 7094604 JVQRNZOHMPDRHP-UHFFFAOYSA-N 394.334 4.817 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 7882085 KQRNTOVSAPQQME-JSGCOSHPSA-N 377.271 4.542 0 40 GJAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccc(NC(=O)C(C)C)cc3)[nH]c2c1 7901437 KSVOQKFNTQTTHP-ZDUSSCGKSA-N 397.500 4.530 0 40 GJAB O=C(NC[C@H](c1ccsc1)N1CCCC1)c1ccc(-c2ccccc2)cc1 8862618 LOQHAVDPCITUSH-JOCHJYFZSA-N 376.525 4.982 0 40 GJAB CCOc1ccc([C@@H]2CCCN2C(=O)CSc2ncnc3sccc23)cc1 9366352 XMLXYQLXGNFJAK-KRWDZBQOSA-N 399.541 4.546 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c2c(C)c(C)sc2n1 9788722 HYWJVJIKKZHORS-JSGCOSHPSA-N 385.558 4.975 0 40 GJAB CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1 11541383 QRKKUPGKEKNDFN-HIFRSBDPSA-N 376.551 4.553 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1csc(COc2ccc(C)cc2)n1 12745287 AAGUKNKLPRLUBH-UHFFFAOYSA-N 388.876 4.945 0 40 GJAB CCc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 12791062 CRCWSMCEYMSYQP-QZTJIDSGSA-N 394.515 4.670 0 40 GJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(F)c(Cl)cc1Cl 12820991 NLWYSBAFTYBLTR-UHFFFAOYSA-N 381.278 4.527 0 40 GJAB COc1ccccc1Cn1c(=S)[nH]c2sc(-c3ccccc3)cc2c1=O 17077806 SXRFONNLXKDYEU-UHFFFAOYSA-N 380.494 4.844 0 40 GJAB COCCn1cc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)c2ccccc21 19136760 AOOQATXKROEGLO-XMMPIXPASA-N 399.494 4.511 0 40 GJAB Brc1ccc(-c2noc(CSc3nc4ccccc4[nH]3)n2)cc1 21364698 DHWFOFDPZJWYCN-UHFFFAOYSA-N 387.262 4.668 0 40 GJAB Cc1cc(NC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)no1 22139452 CBJZSDIMPPSZEG-UHFFFAOYSA-N 395.488 4.906 0 40 GJAB Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)c(C)cc1CN1CCOCC1 27529593 AXSGCYFRKIYWGW-UHFFFAOYSA-N 394.298 4.662 0 40 GJAB C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1cccc(F)c1)c1ccccn1 28292478 IHWLCHPWKBUBSP-HNNXBMFYSA-N 384.838 4.875 0 40 GJAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(CN2CCCC2=O)cc1 30874013 JBLMBNGRJHEPJZ-UHFFFAOYSA-N 396.796 4.734 0 40 GJAB Cc1ccc(Cl)cc1N1CCN([C@@H](C)C(=O)c2c[nH]c3ccccc23)CC1 35448426 JRDONGWCURAFIS-INIZCTEOSA-N 381.907 4.523 0 40 GJAB Cc1ccc(-c2nc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)sc2C)c(C)c1 35897676 BRUNFBNOKYQHBL-FZCLSBEQSA-N 396.512 4.587 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(Cl)c2)c(OC)c1 40284561 XNMVNNFCXDCCAI-HNNXBMFYSA-N 383.835 4.667 0 40 GJAB COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2F)o1 58179558 NYOOQNGKMZMCHD-INIZCTEOSA-N 395.430 4.537 0 40 GJAB CN(Cc1ccc(F)c2cccnc12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 58356862 CFYURJGRNNQFBF-AZUAARDMSA-N 391.273 4.771 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1Br 59364400 OAQMNQBDKQJXOR-UHFFFAOYSA-N 389.274 4.834 0 40 GJAB Cc1cccc(OCc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 72333568 CSUKJBOJEQMLFA-UHFFFAOYSA-N 380.517 4.541 0 40 GJAB O=C(COc1ccccc1F)NCc1cc(-c2cccs2)n(C2CCCC2)n1 90607070 FXCWIBGTGOGLSS-UHFFFAOYSA-N 399.491 4.561 0 40 GJAB C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)C1CCC(c2ccccc2)CC1 95963130 JGUATIQFKBNMIC-FUMMXXCMSA-N 383.557 4.917 0 40 GJAB CCn1c(SCc2cc(F)ccc2Br)nnc1-c1cccnc1 155501484 VLZIOWPLIIYEDQ-UHFFFAOYSA-N 393.285 4.554 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219318017 OAJXXFAJQUOHCG-UXHICEINSA-N 383.488 4.580 0 40 GJAB COC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219836852 UWRBESFMCQRVNF-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)S1 222624165 DEJLYBVMSFNIQA-UAOJZALGSA-N 378.476 4.601 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCC1=CCCCC1 222828768 YVQLQJGNVMKPHQ-QGZVFWFLSA-N 390.955 4.864 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(C)cc2C)cc1OCC 222963446 VYRXUDQINDOPPW-LJQANCHMSA-N 385.504 4.575 0 40 GJAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCCc4ccccc4)ccc32)c1 223082248 FSTVWMYNHDPTSD-UHFFFAOYSA-N 398.506 4.561 0 40 GJAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 223125816 YIPPEWGEOULHFB-OAQYLSRUSA-N 394.559 4.570 0 40 GJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)c1 224231904 FKEUXUNEMMFIDJ-SFTDATJTSA-N 376.529 4.522 0 40 GJAB CC(C)(Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1Br 224812409 FSUWGWWAQFUXDD-UHFFFAOYSA-N 396.712 4.619 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1C 225083073 BRRDFWUHKOFSKY-OSVNEOKWSA-N 388.467 4.545 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1C 225674406 GTMUMKKRINYQMZ-GOSISDBHSA-N 398.528 4.679 0 40 GJAB CCCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NCC(C)C 225760294 YASUCZHHXYZOJP-HSZRJFAPSA-N 394.559 4.507 0 40 GJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C(=O)OC)c1 225847581 AJSPBYDPSPHGLU-JOCHJYFZSA-N 393.524 4.966 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccccc3Br)N21 260772428 NSAOKROHPKZKOQ-DQYPLSBCSA-N 388.334 4.824 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)ccc1O[C@H](C)CC 260814450 IJCIIZXBGAZYKS-DMPWYTOCSA-N 391.508 4.574 0 40 GJAB O=C([C@@H]1CC12CCOCC2)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 618963248 AFSJWCQTTSAGNO-PKOBYXMFSA-N 387.932 4.692 0 40 GJAB Cc1ccc(COc2ccc(NC(=S)NC(=O)c3ccccc3)cc2)cc1 675031085 KHIKMRGGNSDQOL-UHFFFAOYSA-N 376.481 4.701 0 40 GJAB CCSc1ccc2nc(-c3ccc(I)cc3)cn2c1 633513 UGMIPRCCTPFMNU-UHFFFAOYSA-N 380.254 4.718 0 40 GJAB Cc1ccc(C)c(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 677086 QXNDKTOYVDYXAD-SNDHGLFQSA-N 379.459 4.700 0 40 GJAB CCOc1ccc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)cc1 1327098 GADLIBOVHUJORU-UHFFFAOYSA-N 381.501 4.803 0 40 GJAB Cn1c2ccccc2c2cc([C@@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)ccc21 1427244 YJGCVRRNFIOBIP-KRWDZBQOSA-N 395.414 4.879 0 40 GJAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1CCOc1ccccc1 1787562 NMQYVAKKJBKJJT-UHFFFAOYSA-N 382.872 4.857 0 40 GJAB COCCCNc1nc(SCc2ccccc2)nc2sc3c(c12)CCC3 2335214 QOGBJTSXIJNPGN-UHFFFAOYSA-N 385.558 4.921 0 40 GJAB CCN(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 3329341 RNXQKHZTRGUZNB-PKNBQFBNSA-N 378.255 4.603 0 40 GJAB CC1CCN(Cc2nc(N3C[C@H](C)C[C@@H](C)C3)c3c4c(sc3n2)CCC4)CC1 3504503 QWMAEGORXUJQDA-IAGOWNOFSA-N 398.620 4.894 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccs2)nn1-c1ccccc1 3561639 FRZVWCSVABOPTE-UHFFFAOYSA-N 389.436 4.582 0 40 GJAB Cc1cccc(Cn2c([C@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 4033508 CQCNUDYIFGTBKL-QFIPXVFZSA-N 395.506 4.909 0 40 GJAB CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2ccccc21 4289497 PPRFBPNVZRXFOF-LLVKDONJSA-N 377.872 4.968 0 40 GJAB Nc1nc2n(n1)[C@@H](c1c(Cl)cccc1Cl)C[C@H](c1ccccc1Cl)N2 4690547 WPOGOLDKHGQWHK-ZIAGYGMSSA-N 394.693 4.967 0 40 GJAB Cc1cccc(C(=O)Nc2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)c1 4777090 ZYGRDFFAAKMDLS-INIZCTEOSA-N 391.858 4.603 0 40 GJAB COC(CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3)OC 5156758 MFJGHEDUPLACTA-UHFFFAOYSA-N 389.546 4.563 0 40 GJAB COc1ccc(-c2nnc(NC(=O)c3ccc(C(C)C)cc3)s2)cc1OC 5500733 DKDLJBVBMJGGCV-UHFFFAOYSA-N 383.473 4.598 0 40 GJAB CCNC(=O)c1c(NC(=O)Cc2coc3cc(C)ccc23)sc2c1CCCC2 6809930 UBIURXKOLMXSTJ-UHFFFAOYSA-N 396.512 4.612 0 40 GJAB Cc1ccccc1CN1C(=O)N(c2ccccc2C)S(=O)(=O)c2ccccc21 7615866 AIHPMHRGLGLQDD-UHFFFAOYSA-N 392.480 4.639 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccoc1C)c1ccccc1 7848176 DQAVBQFJYPFOGZ-FQEVSTJZSA-N 379.412 4.524 0 40 GJAB Cc1ccc2c(CC(=O)NCc3ccccc3CN3CCCC3)coc2c1C 8012287 OCYBWBOCTQQAMH-UHFFFAOYSA-N 376.500 4.504 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Oc2ccccc2)cc1 8328605 TUQXLJKNRDDQSV-NRFANRHFSA-N 376.456 4.639 0 40 GJAB COc1ccc(CNc2ncnc3scc(-c4ccccc4)c23)cc1OC 8988277 OEBCYUBSYSUKNT-UHFFFAOYSA-N 377.469 4.988 0 40 GJAB CC(C)CCN1C(=O)CCc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 9164698 YFVDBPHHRODQMA-UHFFFAOYSA-N 384.907 4.847 0 40 GJAB O=c1[nH]c2ccc(NCc3cc(Cl)ccc3OCc3ccccc3F)cc2[nH]1 10315378 BGPPSUZXWIHQCM-UHFFFAOYSA-N 397.837 4.840 0 40 GJAB CCOc1ccc(-c2nc(CSc3nc(O)c4ccccc4n3)c(C)o2)cc1 12411981 XFNBMSHPJYQJEC-UHFFFAOYSA-N 393.468 4.990 0 40 GJAB biogenic,in-vitro O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCCCC2)cc1 12624269 SPXCEDNCLAOPJX-UHFFFAOYSA-N 376.422 4.621 0 40 GJAB CCN(C(=O)CSCc1ccc(C(=O)O)cc1)c1cccc2ccccc12 12779119 URFZZJCADJCGDR-UHFFFAOYSA-N 379.481 4.824 0 40 GJAB Cc1c([C@H](C)NC(=O)c2cccs2)cnn1-c1cccc(C(F)(F)F)c1 12780163 YQYCNNVATOBFHA-NSHDSACASA-N 379.407 4.752 0 40 GJAB O=C(NCCc1cccc(F)c1)c1ccccc1-c1ccc(Cn2cccn2)cc1 12788206 RPWTXVQXELAUKW-UHFFFAOYSA-N 399.469 4.710 0 40 GJAB COCc1nn2c(C)cc(-c3ccccc3)nc2c1-c1ccc(OC)c(OC)c1 12862228 VTKMJKGYOCGKCL-UHFFFAOYSA-N 389.455 4.535 0 40 GJAB CC(C)c1ccccc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 12897130 SWDMRRKDNGRZRE-UHFFFAOYSA-N 382.548 4.861 0 40 GJAB O=C(O)CC/C(=C\c1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1 13026089 BBDZNIZTGBIEDH-LDADJPATSA-N 389.480 4.947 0 40 GJAB COc1ccc(CN(Cc2ccncc2)CC(C)(C)CN2CCC(C)CC2)cc1 13570250 JQWVWCOYUMWYJH-UHFFFAOYSA-N 395.591 4.851 0 40 GJAB CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 14004925 AUIAEUYBZBKIPZ-UHFFFAOYSA-N 378.859 4.865 0 40 GJAB CCCn1c(S[C@H](C)C(=O)c2ccccc2)nc2cc(Cl)ccc2c1=O 14112276 MNNWPGJDFOBLRO-CYBMUJFWSA-N 386.904 4.823 0 40 GJAB COCc1c(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)sc2cccc(F)c12 17337584 OCLGEPKCCQOGLY-UHFFFAOYSA-N 398.411 4.821 0 40 GJAB Fc1ccccc1Cc1nnc2sc(-c3cccc(C(F)(F)F)c3)nn12 19910091 XNESSNIGHXPMGX-UHFFFAOYSA-N 378.354 4.602 0 40 GJAB CCOC(=O)c1cc(NC(=O)COc2cccc3ccccc23)ccc1Cl 20048334 HGTAGYNUXCDZRH-UHFFFAOYSA-N 383.831 4.687 0 40 GJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2sc(-c3ccccn3)nc2C)cc1 21709793 CLOVSWUMCUFGRT-IBGZPJMESA-N 393.512 4.890 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c(OC)c1 21935104 WANJCCHXLHBTPE-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)C3CC3)c3cnn(C(C)C)c3n2)cc1 24715970 VMRMQSVGVUGXSJ-MRXNPFEDSA-N 376.504 4.858 0 40 GJAB CC(C)Cn1c(SCc2nc(-c3ccco3)no2)nnc1-c1ccccc1F 24778221 IFKXKIPYAGPUBS-UHFFFAOYSA-N 399.451 4.676 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-c3cccs3)nc2C)cc1 27223223 BOQXAEWOYBGPQD-UHFFFAOYSA-N 393.512 4.853 0 40 GJAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)C1c2ccccc2Oc2ccccc21 30525590 JSHIHGOQESQRBK-UHFFFAOYSA-N 398.462 4.799 0 40 GJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1 30859646 KYNBGWDSBLOVCH-FQEVSTJZSA-N 383.532 4.915 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1ccnc1 30872135 BDGLBRMCLHYCTJ-LJQANCHMSA-N 385.920 4.713 0 40 GJAB Clc1cc(Br)c2c(c1)CCc1cc(Br)cnc1C2 31777116 MLUVTRZDSIHGAD-UHFFFAOYSA-N 387.502 4.949 0 40 GJAB O=C(NCC(F)F)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c12 36618523 YSUCHEZAJCTPGD-UHFFFAOYSA-N 397.356 4.691 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](NCCc1ccc(F)cc1)c1ccccc1 38431265 KYDNVNUQTKALBP-QHCPKHFHSA-N 392.474 4.655 0 40 GJAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 40104396 PWYACHGZORXDAA-UHFFFAOYSA-N 397.372 4.857 0 40 GJAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40396934 GJOMBTFBYPMELW-IFXJQAMLSA-N 390.462 4.910 0 40 GJAB O=C(Nc1ccccc1F)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078967 AJGICQGMPVRQHR-UHFFFAOYSA-N 392.405 4.810 0 40 GJAB CCOc1ccc(N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1CO 56205890 UUTWNFHCENKOFO-QFIPXVFZSA-N 394.446 4.509 0 40 GJAB O=c1c2ccccc2nc(SCCCOc2ccccc2)n1-c1ccccc1 59109460 JTARZHGOTACDCW-UHFFFAOYSA-N 388.492 4.947 0 40 GJAB COc1ccccc1Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc12 64471590 FYVFUQGSRJCYIQ-UHFFFAOYSA-N 379.435 4.752 0 40 GJAB CSc1ccccc1C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635426 CHGOHZXVVUYYRU-MRXNPFEDSA-N 381.419 4.641 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 72403076 OVBDHPPRUUYMEV-YWZLYKJASA-N 390.936 4.539 0 40 GJAB Cc1cnc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)c(C)c1 95468438 URTOZZJAGFGJNO-UHFFFAOYSA-N 398.260 4.901 0 40 GJAB COc1ccc(C(=O)N[C@@H]2CCCc3c2[nH]c2c(Cl)cccc32)cc1OC 96117005 KWIDNVMRGUQRHA-MRXNPFEDSA-N 384.863 4.646 0 40 GJAB CC1(C)[C@]2(c3ccccc3)[C@H]3[C@@H](O)C(Br)=C[C@@H]3[C@@]12c1ccccc1 104280639 LXXURMUGPWKUQM-VCTHZUDLSA-N 381.313 4.802 0 40 GJAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1c(F)cccc1N1CCCC1 173014592 RZTPRYYXHKXNAG-UHFFFAOYSA-N 398.869 4.826 0 40 GJAB C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccccc1-c1cn2ccccc2n1 206897486 UJRJYHBWJZSDEZ-OAHLLOKOSA-N 375.403 4.546 0 40 GJAB Cc1nc(-c2ccccc2NC(=O)c2sc(-n3cccc3)nc2C)cs1 208008131 JLMPHSVIJUEYFW-UHFFFAOYSA-N 380.498 4.926 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)COc1ccc(Cl)cc1Cl 223663615 BTKBYUWOKQNNSV-UHFFFAOYSA-N 396.314 4.865 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(C)c(Cl)c1 224165272 FPRDOGJHXSVGLA-LJQANCHMSA-N 375.896 4.618 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053971 CHDOMQMXRZXXAD-HNNXBMFYSA-N 392.933 4.763 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NC[C@@H](CC)Cc2ccccc2)c(C)c1 225632580 GBUZWUIXJOATOI-KRWDZBQOSA-N 384.545 4.727 0 40 GJAB CCCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225876299 FBXLCZLPZYVWPG-UHFFFAOYSA-N 388.895 4.519 0 40 GJAB CCC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)c(F)c2)C1 257342660 ZPPHUAXYNPBTEK-QKNQBKEWSA-N 377.406 4.982 0 40 GJAB COc1ccc(NC(=O)CSc2nc(C)cc(-c3ccc(Cl)cc3)n2)cc1 408526511 CMVAMEXWVKEOBS-UHFFFAOYSA-N 399.903 4.845 0 40 GJAB CCCCCC(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 408628943 YLXBJJWPKRQWQO-UHFFFAOYSA-N 381.973 4.970 0 40 GJAB COc1cccc(CN2CCC[C@@H](c3cccc(Nc4nccs4)n3)C2)c1 2037834758 KVQQBTIICJDOJE-QGZVFWFLSA-N 380.517 4.670 0 40 GJAB O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)c1ccccc1 886660 UPQCYINLFRLVFS-UHFFFAOYSA-N 387.464 4.615 0 40 GJAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 929411 SYHXTZSFFYOWNZ-UHFFFAOYSA-N 399.491 4.795 0 40 GJAB O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 1081031 LNUCQOKETCWLIJ-UHFFFAOYSA-N 376.481 4.670 0 40 GJAB COc1ccc(-c2nnc(NCc3nc4ccccc4[nH]3)c3ccccc23)cc1 1097234 UHUIHKYJIBGOPZ-UHFFFAOYSA-N 381.439 4.794 0 40 GJAB O=C(Nc1nc2ccccc2n1CCOc1ccc(F)cc1)c1ccc(F)cc1 1408129 RRKQYPKKDNVPOK-UHFFFAOYSA-N 393.393 4.646 0 40 GJAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1cccc(F)c1 2094423 AHFPFOYBCDPMBT-UHFFFAOYSA-N 389.382 4.617 0 40 GJAB biogenic CCCCOC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 3147941 ZRIUGBOAQGDCOZ-UHFFFAOYSA-N 376.250 4.658 0 40 GJAB CCn1c(SCC(=O)c2ccc(OC(F)F)cc2)nnc1-c1cccs1 3332231 LODQHZZOPBTGQL-UHFFFAOYSA-N 395.456 4.603 0 40 GJAB COc1cccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)c1 4276052 KUYWBKACGVSMPN-UHFFFAOYSA-N 385.423 4.516 0 40 GJAB Cc1ccc(COc2c(Br)cc(Br)cc2C=O)cc1 4739240 WWZBMCMHDGKRMP-UHFFFAOYSA-N 384.067 4.912 0 40 GJAB O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 4860427 YMSRCUDXNVLVQS-NRFANRHFSA-N 396.899 4.880 0 40 GJAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1cccc(Cl)c1Cl 4952309 ZJRFUZOOHJNRSO-UHFFFAOYSA-N 377.315 4.887 0 40 GJAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl 5100283 CFSHSZBJCCTXPY-XDHUDOTRSA-N 388.231 4.690 0 40 GJAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccccc3)sc2c1 5265138 RLZSNWAAHKMZAX-UHFFFAOYSA-N 389.480 4.937 0 40 GJAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1Cl 5753927 VUNZGLBAEQGCDK-UHFFFAOYSA-N 392.636 4.770 0 40 GJAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccnc1Cl 6224727 HSCYKTWBYBFUOC-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)/C=C\c2ccccc2)CSC3)c1 6471174 MJTZVBGUWGACMM-HJWRWDBZSA-N 375.497 4.888 0 40 GJAB COc1cccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1 6604579 JFGUQXCUYOENIM-UHFFFAOYSA-N 391.448 4.682 0 40 GJAB CCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1C[C@@H]1CCCO1 6665465 VMTKKPYDNCOUPR-INIZCTEOSA-N 380.492 4.566 0 40 GJAB O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)c2)N1Cc1ccccc1 7088048 WRNKZFBEMQQIBG-HSZRJFAPSA-N 380.451 4.639 0 40 GJAB Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(C)n1-c1cccnc1 7342893 LOLKZUQUZDMALA-ODLFYWEKSA-N 390.468 4.583 0 40 GJAB COc1cccc(Cn2cc(NC(=O)Nc3ccccc3C(F)(F)F)cn2)c1 8167529 QZCFJGJLXSHJSZ-UHFFFAOYSA-N 390.365 4.603 0 40 GJAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc4ccccc34)cc21 8959497 HHHNMCTVIMPHPW-UHFFFAOYSA-N 388.467 4.864 0 40 GJAB CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@@H](C)Oc1ccccc1 9582092 FMCOZODALMIIFT-OAHLLOKOSA-N 399.878 4.595 0 40 GJAB CCCn1c(NC(=O)c2cnn(Cc3ccccc3Cl)c2)nc2ccccc21 10652945 UDGQCAPUFGDSBP-UHFFFAOYSA-N 393.878 4.597 0 40 GJAB CCc1cccc2c(CC(=O)Nc3[nH]nc(-c4cccs4)c3C)c(C)[nH]c12 12143807 LNRMLZVQGOWRHJ-UHFFFAOYSA-N 378.501 4.980 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)cc2n1 12220352 JXCSTTURWFUDMU-CYBMUJFWSA-N 396.457 4.624 0 40 GJAB CCn1c(S[C@H](C)C(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 12974014 CBCZGDDTFUGCID-CYBMUJFWSA-N 398.553 4.720 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 14013568 ARLGTMNBTUJKPS-JOCHJYFZSA-N 394.515 4.807 0 40 GJAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)Cc2cccc3ccccc23)c1 14404582 XWHUCQDPBPBJGV-UHFFFAOYSA-N 398.466 4.613 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)/C(=C/c1ccccc1Cl)c1ccccc1 14411158 HVFFWJMHXQKWSM-CPNJWEJPSA-N 391.854 4.926 0 40 GJAB CC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)c(Br)c2)c1 14658111 ZRLWIYUGWQBGLS-UHFFFAOYSA-N 376.250 4.691 0 40 GJAB O=C(CSc1nc2ccccc2s1)Nc1ccc(Br)cc1F 15275621 SJNVPTQLFPPKRS-UHFFFAOYSA-N 397.294 4.929 0 40 GJAB COc1ccc(-c2nc(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3)cs2)cc1 15535088 FGGHWSVUIQPMNA-HXUWFJFHSA-N 394.496 4.805 0 40 GJAB COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cccc(C)c3C)cs2)cc1 15832729 PMLOUMJVZGUCFL-INIZCTEOSA-N 396.512 4.519 0 40 GJAB Cc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)cc1 17042079 PBHATLBLXWKTSK-GOSISDBHSA-N 389.499 4.797 0 40 GJAB C[C@H](Oc1ccccc1F)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 19079735 FNEMMOJAMPHFEC-XOBRGWDASA-N 384.838 4.547 0 40 GJAB O=C(c1ccccc1)N1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19687723 DLXMQHNHJNZVHX-NRFANRHFSA-N 378.859 4.616 0 40 GJAB COc1ccc(CN2CN=C(c3ccccc3)N(c3cc(C)ccc3C)C2)cc1 19974134 MJSBBLGZLZBNHL-UHFFFAOYSA-N 385.511 4.996 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)ccc1Cl 21576426 SMIZZIHBJTUCEB-UHFFFAOYSA-N 376.859 4.795 0 40 GJAB O=C(Nc1cccc(F)c1)c1cccnc1Nc1ccccc1Br 22072211 HWCCHHLYFRNCQC-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1cccc(Cl)c1 22458428 MQXINQMLECCTNY-UHFFFAOYSA-N 376.803 4.704 0 40 GJAB COc1cc(CCNC(=O)c2occc2-c2ccccc2)ccc1OC(F)F 22837290 LGPUIKIPONQSOR-UHFFFAOYSA-N 387.382 4.529 0 40 GJAB Cc1noc(C)c1CCC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 25092772 HCICVZWEJDHMMB-UHFFFAOYSA-N 378.432 4.507 0 40 GJAB COc1ccc(OC)c(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)c1 25439805 RWUHXSCSIYZCPO-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ncccc1C 27824540 JMQKAQHPKCENNU-UHFFFAOYSA-N 382.913 4.722 0 40 GJAB O=C(Nc1ccc(F)cc1F)c1ccn(COc2c(Cl)cccc2Cl)n1 28236644 KDCKQXILEUWLNI-UHFFFAOYSA-N 398.196 4.757 0 40 GJAB Cc1ccc(F)c(NC(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)c1 28239337 GQJGYTUVTWNHHU-UHFFFAOYSA-N 394.233 4.926 0 40 GJAB Cc1ccc(-n2ncc(C(=O)Nc3ccc(F)cc3F)c2C(F)(F)F)cc1 29562257 CCZHVMFPFYISDB-UHFFFAOYSA-N 381.304 4.730 0 40 GJAB CN(C)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)(C)C)cc1 32622631 ZOAHOVUKAKWRON-SFHVURJKSA-N 397.544 4.733 0 40 GJAB Cc1cc(C)cc(C2(C(=O)Nc3nnc(C4CCCCC4)s3)CCOCC2)c1 35317044 ZLIJKQDTSHMOQJ-UHFFFAOYSA-N 399.560 4.890 0 40 GJAB O=S(=O)(NCCSC1CCCCC1)c1ccc(Oc2ccccc2)cc1 38772056 SUHKOBQAHRNXEW-UHFFFAOYSA-N 391.558 4.823 0 40 GJAB Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 40074350 UEGGDWPXPPPUJX-UHFFFAOYSA-N 395.462 4.519 0 40 GJAB O=C(COCC(F)(F)F)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 40132232 ZAWPSOZTADFXAV-UHFFFAOYSA-N 399.319 4.616 0 40 GJAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478421 NNHRVMMPQBSTGG-UHFFFAOYSA-N 379.769 4.679 0 40 GJAB CC(C)Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1F 48250751 XTOAYHGEZYIUAT-UHFFFAOYSA-N 381.480 4.909 0 40 GJAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)C1 57326932 RYGJTLKTVMGTBC-QGZVFWFLSA-N 392.455 4.534 0 40 GJAB Cc1ccc(C)n1-c1sccc1C(=O)Nc1ccc(Oc2ncccn2)cc1 64300235 LQAXXOKZHMSYQM-UHFFFAOYSA-N 390.468 4.990 0 40 GJAB C[C@H]1CCC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)C1 71084643 ZDIWXOUSOHUVGI-WNSKOXEYSA-N 379.456 4.559 0 40 GJAB COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)C1 72301627 QWBLPIMTMFGXBJ-RKVPGOIHSA-N 391.920 4.587 0 40 GJAB O=C(Cc1ccc(O)cc1)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 72338407 BJPFZLOSEPABPG-SFHVURJKSA-N 382.485 4.795 0 40 GJAB Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccc(-c4ccc(F)cc4)o3)C[C@H]21 72392526 NOKHZTVSSXYTMM-VNZMSGEBSA-N 392.474 4.519 0 40 GJAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1cc(F)cc2cccnc12 92647235 YQFMITWGMVMWIB-UHFFFAOYSA-N 380.810 4.774 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 95364917 ZVRYBETURWWDFL-RTBURBONSA-N 396.487 4.908 0 40 GJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)o3)CC2)c2ccccc21 96053037 XLDQLNFOOOWJOG-HXUWFJFHSA-N 394.559 4.868 0 40 GJAB CO[C@](C)(CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1F 96123517 KYYLGDJKGIIWKV-XMMPIXPASA-N 391.442 4.741 0 40 GJAB S=C(Nc1ccccc1Cl)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423301 ZRCNZJCNBFCHDM-QZTJIDSGSA-N 385.964 4.822 0 40 GJAB CCCC[Sn]1(CCCC)OC(=O)c2cccc(C)c2O1 195997864 UEGGYQQFNKOFFC-UHFFFAOYSA-L 383.076 4.587 0 40 GJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)c1 223946496 ZZOYGAQIADXMIV-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccc(OCc2cc(C(=O)Nc3ccccc3C)ccc2OC)cc1 224263438 CIYPFOMBUICHPT-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 224289715 KKSNUWWFLQFVJT-SFHVURJKSA-N 377.484 4.755 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NC1CCCC1 224489084 WEZXUGPUECOGML-QGZVFWFLSA-N 385.335 4.569 0 40 GJAB CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(SC)cc1 224996104 XEIXLKVROXIXLZ-UHFFFAOYSA-N 391.558 4.945 0 40 GJAB CCc1ccc(CC)c(CNC(=O)COc2ccc(Br)c(C)c2)c1 225801549 UYRYXSSGUZUMFB-UHFFFAOYSA-N 390.321 4.578 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)c1C 408659326 KTKDOWJCYMZVNR-QFIPXVFZSA-N 399.490 4.853 0 40 GJAB CCCCN1C(=O)S/C(=C\c2cc(Br)ccc2OCC)C1=O 409057913 LSQKUJYCERGEHI-UVTDQMKNSA-N 384.295 4.684 0 40 GJAB COc1cc(C(=O)Nc2cccc(O)c2)cc(Cl)c1OCc1ccccc1 575444389 BHVSGZUVTSQYBQ-UHFFFAOYSA-N 383.831 4.886 0 40 GJAB COc1ccc([C@@H](Cc2cccnc2)NCc2cc(Cl)cc3c2OCC3)cc1 585083713 XRETWFNVVUKBKO-JOCHJYFZSA-N 394.902 4.752 0 40 GJAB COc1ccc([C@H]2SCCN2C(=O)Nc2cccs2)cc1Br 1775965387 DBZUKANYRKKHJA-CQSZACIVSA-N 399.335 4.799 0 40 GJAB CCc1ccc2nc(SCC(=O)Nc3cc(OC)ccc3OC)c(C)cc2c1 881218 OXMYFDNTMSCRCO-UHFFFAOYSA-N 396.512 4.854 0 40 GJAB Cc1cccc2c(SCC(=O)NC(C)(C)C)nc(-c3ccc(F)cc3)nc12 1367421 RUNIMJMVCRVYFT-UHFFFAOYSA-N 383.492 4.751 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1C 2653779 ATCZTCYKDRHWFW-UHFFFAOYSA-N 381.472 4.922 0 40 GJAB Cc1cc(C)c(C)c(C(=O)COC(=O)c2ccc(Br)cc2)c1C 3508828 GQJSATUXXWZZLG-UHFFFAOYSA-N 375.262 4.722 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1cccc(C)c1)CSC2 4079151 GMCTUESFHHAUCQ-UHFFFAOYSA-N 399.903 4.842 0 40 GJAB CCCCN1C(=O)[C@](O)(CC(=O)c2c(C)c(C)c(C)c(C)c2C)c2ccccc21 4554965 BWOFNWHJUJWILB-VWLOTQADSA-N 393.527 4.836 0 40 GJAB CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2cccc(C)c2)C1=O 4700671 QPOSUGUGUCXONK-STZFKDTASA-N 386.451 4.640 0 40 GJAB O=C(NCCc1ccccc1)c1ccc(O[C@@H](F)C(F)(F)C(F)(F)F)cc1 4783983 QCXHTJVTCHDAQO-MRXNPFEDSA-N 391.311 4.531 0 40 GJAB Cc1ccc2nc(-c3ccc(SCC(=O)N[C@@H]4CCCC[C@@H]4C)nc3)[nH]c2c1 4903406 JARGOQAFTIIGAY-DOTOQJQBSA-N 394.544 4.720 0 40 GJAB COc1ccc(-c2csc(N3N=C(C(C)(C)C)C[C@]3(O)C(F)(F)F)n2)cc1 5243112 HTJHUXVXSUDAMF-KRWDZBQOSA-N 399.438 4.682 0 40 GJAB Cc1cccc(-c2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)o2)c1 5505536 HBVPQOFSBHZTQI-LJQANCHMSA-N 393.512 4.891 0 40 GJAB COc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1Br 6262867 VAKMLUSTLUNFKZ-UHFFFAOYSA-N 378.266 4.745 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3ccc4ccccc4n3)sc2C)cc1 6788646 HFJBEUPGLYDIDQ-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 6944073 IQUYXMVMPXVALA-LBPRGKRZSA-N 384.501 4.678 0 40 GJAB CCc1cccc2c(C(=O)CSc3nnc(NCc4ccco4)s3)c[nH]c12 7161789 PNWLJQVNVDVCQQ-UHFFFAOYSA-N 398.513 4.762 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)cc1 7928670 RHMOQBZFUWLYCM-NRFANRHFSA-N 385.463 4.544 0 40 GJAB CSc1ccc(CN(C)C(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1 8342627 COGJLMILYUPJKW-UHFFFAOYSA-N 396.512 4.865 0 40 GJAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(Cl)nc1 8471828 XUQDFZPAFOTZQE-UHFFFAOYSA-N 386.854 4.752 0 40 GJAB C[C@@H](NC(=O)NCc1ccccc1OC(F)(F)F)c1cc2ccccc2o1 10206487 FZNCZQLBKKVNFT-GFCCVEGCSA-N 378.350 4.892 0 40 GJAB Cc1cc(=O)n2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc2n1 11770942 FVFNQKRPDUBRIO-UHFFFAOYSA-N 394.431 4.515 0 40 GJAB O=C(NCc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CCCC[C@H]1C(=O)O 11994445 SYHZJASQODJPCM-RBUKOAKNSA-N 387.863 4.640 0 40 GJAB Cc1ccccc1CN(C)[C@@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12792247 FEHZOXPLFYASII-AWEZNQCLSA-N 379.485 4.746 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1 12799282 KWUAHFSTOGPXGD-IBGZPJMESA-N 375.490 4.572 0 40 GJAB CCOc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1 12852948 JZQSWUHGWQMHHS-UHFFFAOYSA-N 379.441 4.911 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)COc3ccc(Cl)cc3Cl)o2)cs1 12871601 ADDWRZQMCIKIAS-UHFFFAOYSA-N 397.283 4.714 0 40 GJAB COc1ccc2c(C)c(CCC(=O)Nc3c(C)cc(C)cc3Cl)c(=O)oc2c1 12906647 LFEABKHQZSPKMK-UHFFFAOYSA-N 399.874 4.952 0 40 GJAB CCOC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1C 13632228 FUVBEXMJOQLZPW-UHFFFAOYSA-N 375.852 4.623 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 14013566 ARLGTMNBTUJKPS-QFIPXVFZSA-N 394.515 4.807 0 40 GJAB Cc1ccc(-c2nc3ccc(Cl)cn3c2NC(=O)c2ccccc2O)cc1 16753109 NDHLVWUMAGGTAW-UHFFFAOYSA-N 377.831 4.921 0 40 GJAB O=C(Cc1noc2ccccc12)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 19206592 LKIGSORSVYPZHS-QFIPXVFZSA-N 376.843 4.930 0 40 GJAB C[C@H](CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 19456109 DZGPRMSLAPSDCD-KJXAQDMKSA-N 393.575 4.801 0 40 GJAB COc1cccc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)c1OC 19559918 HTAMQUOWMLHBQV-KRWDZBQOSA-N 388.558 4.912 0 40 GJAB CN1CCN([C@H]2Cc3ccccc3Sc3cc(C(F)(F)F)ccc32)CC1 19802415 LYSTXBLNUSUUQY-KRWDZBQOSA-N 378.463 4.701 0 40 GJAB Cc1cc(NC(=O)c2cccc(Br)c2)ccc1-c1ccc(CO)o1 20138019 ZVDXLRNORHDPDK-UHFFFAOYSA-N 386.245 4.762 0 40 GJAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20139995 KDPTVNZZVFNQFW-UHFFFAOYSA-N 392.194 4.910 0 40 GJAB O=C(CCCc1nc(-c2cccs2)no1)Nc1cccc(C(F)(F)F)c1 20894286 VFNIEGUPMBKRCI-UHFFFAOYSA-N 381.379 4.778 0 40 GJAB C[C@@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccc2c(c1)CCCC2 21934120 BDQDJZKHGMZPOM-OAHLLOKOSA-N 377.513 4.905 0 40 GJAB COc1ccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c(OC)c1 22245889 ZTNGGHQFICMFCM-UHFFFAOYSA-N 387.436 4.604 0 40 GJAB Cc1cnc2c(S(=O)(=O)Nc3ccc(OC(F)F)c(Cl)c3)cccc2c1 23371451 PVHBFZWFUCNKJH-UHFFFAOYSA-N 398.818 4.599 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)CSCc1nc2ccccc2s1 24314908 BOWIJFORYKGUIE-UHFFFAOYSA-N 399.566 4.798 0 40 GJAB O=C(CCN1CCSC1=O)Nc1ccc(Oc2ccccc2Cl)cc1 24536139 JFIZMISXDXYUIA-UHFFFAOYSA-N 376.865 4.630 0 40 GJAB CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(C)cc1Br 24831868 ZEXXGJHMDQOMJF-UHFFFAOYSA-N 394.338 4.954 0 40 GJAB CCCCn1nc(C)c(/C=C/C(=O)Nc2cccc(NC(C)=O)c2C)c1Cl 25601046 WHXXJVUADWOTOP-ZHACJKMWSA-N 388.899 4.564 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCCCCC2)cc1 27583025 XUWZHTHJMFDVOG-OAQYLSRUSA-N 386.923 4.696 0 40 GJAB biogenic O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)N=C(S)N1c1ccccc1 34927072 YWQQQLJWDMNUCR-RCCKNPSSSA-N 386.476 4.939 0 40 GJAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCc2[nH]c3ccccc3c2C1 36397824 LOFYBJKBBORXHE-UHFFFAOYSA-N 398.437 4.737 0 40 GJAB CCc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1 36616735 CYQFBZRWKPEBHX-UHFFFAOYSA-N 388.446 4.991 0 40 GJAB COc1ccccc1NC(=O)Nc1ccccc1NC(=O)c1ccccc1C 36709641 CRHXUCDPEGDEIX-UHFFFAOYSA-N 375.428 4.900 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 40104465 WVGKFJJOVUPISR-MRXNPFEDSA-N 377.444 4.675 0 40 GJAB O=C(Cc1c(F)cccc1Cl)NCc1cccc(C(=O)Nc2ccccc2)c1 40106709 VUGWBBBYQLWWTE-UHFFFAOYSA-N 396.849 4.590 0 40 GJAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1cccnc1SC1CCCC1 57095215 WLBQAZFLNILZCQ-SFHVURJKSA-N 398.576 4.875 0 40 GJAB O=C1C2=C(CCCC2)[C@H](NCc2ccccc2)N1CCc1ccc(Cl)cc1 57095601 VAPXHRSGYGAJIY-JOCHJYFZSA-N 380.919 4.711 0 40 GJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)cc3C)n2)cc1 57486801 QQNSFFNLTQYDSC-UHFFFAOYSA-N 386.455 4.769 0 40 GJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccc2ncccc2c1 58406563 WSRKRADTFSYAKM-UHFFFAOYSA-N 379.366 4.739 0 40 GJAB Cc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)c1 59418702 CIKLSOBRDHMXKB-YCIYHOANSA-N 399.877 4.742 0 40 GJAB CCCCc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 59488485 STMLXOVTDIJDJP-KRWDZBQOSA-N 384.907 4.983 0 40 GJAB Cc1noc(C)c1COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C(C)C)cc1 71282497 OPNBKFKYNVODOI-KRWDZBQOSA-N 380.448 4.771 0 40 GJAB CCc1cc(Br)c2oc(-c3cncc(Br)c3)nc2c1 73638634 QHEHBJNYZCMPMB-UHFFFAOYSA-N 382.055 4.977 0 40 GJAB O[C@@H](CN(Cc1ccccc1)Cc1nc(-c2cccs2)no1)c1ccsc1 79093006 IVUBLRVURSLLJQ-KRWDZBQOSA-N 397.525 4.595 0 40 GJAB Cc1oc(-c2ccccc2)nc1CN[C@@H](C(=O)OC(C)(C)C)c1ccccc1 95418875 OQHRGZBVEUNCGX-HXUWFJFHSA-N 378.472 4.823 0 40 GJAB O=c1nc2n(nc1-c1ccc(F)cc1)[C@H](/C=C/c1ccccc1)Nc1ccccc1-2 101459185 NTZHBGGNRGJLQX-XISXUPMFSA-N 396.425 4.749 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCCC2 102183249 OJPOMHMZIPDBHR-FMKPAKJESA-N 375.534 4.959 0 40 GJAB Cc1cnc(-c2cccc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)c2)o1 108984011 UPSSDJQMGVCLDB-UHFFFAOYSA-N 384.439 4.965 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)ccc1Cl 216236306 HAWYXCGHPPZBOI-LBPRGKRZSA-N 393.892 4.645 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)c(C)c1 222859728 URYZCEUXGQNIQK-JOCHJYFZSA-N 395.499 4.847 0 40 GJAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223350293 NNRKVTGCMJRXFY-QFIPXVFZSA-N 380.532 4.719 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SCC(C)C)s1 224107111 QYFJITHDOTYMNW-ZDUSSCGKSA-N 385.942 4.736 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)c1 225489560 VIIKEVXZZLHOCX-SFHVURJKSA-N 386.517 4.618 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 225800074 NMZSYMPWBSJLTE-QGZVFWFLSA-N 399.541 4.935 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225824575 CHRNMLYAVIZWIH-YCRPNKLZSA-N 379.497 4.574 0 40 GJAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1c(F)cccc1F 225828523 ADYJXXAYGJJWMB-UHFFFAOYSA-N 379.366 4.739 0 40 GJAB Cn1nc(-c2ccccc2)cc1C(=O)NCc1nc(C2CCCCC2)cs1 390829827 GWQGALBHVWJROV-UHFFFAOYSA-N 380.517 4.521 0 40 GJAB Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cccc3ccccc23)n1 408528217 UKKOAHPCBPYOSG-UHFFFAOYSA-N 377.391 4.688 0 40 GJAB CC(=O)NC(=S)Nc1cc(-c2nc3cc(Cl)cc(Cl)c3o2)ccc1C 408628045 PVMRRSXOLCDFLM-UHFFFAOYSA-N 394.283 4.943 0 40 GJAB CCn1cc(C(=O)Nc2ccc(Cl)cc2C)c(=O)c2cc(Cl)ccc21 408713190 NMSMZDNCUPLONI-UHFFFAOYSA-N 375.255 4.889 0 40 GJAB CCC[C@@]1(CO)CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1 585085077 DCSBVSCGNWTNQJ-GOSISDBHSA-N 399.343 4.742 0 40 GJAB COC(=O)c1ccc(NC(=O)[C@H]2CC3c4ccccc4C2c2ccccc23)cc1 866610 IESQZBKVTZQSOF-KOENEWCDSA-N 383.447 4.709 0 40 GJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1 1006631 WAWCICHDUSPILD-UHFFFAOYSA-N 390.439 4.599 0 40 GJAB O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)N1CCCCCC1 1342657 FBHMUZXMCMIWRU-UHFFFAOYSA-N 391.540 4.715 0 40 GJAB CCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccco1 1364392 AXFSEXKFLIJWME-UHFFFAOYSA-N 390.896 4.641 0 40 GJAB CN(C(=O)CSc1nnc(Cc2cccc3ccccc23)o1)c1ccccc1 1440320 TWOQGWVEVDZPIH-UHFFFAOYSA-N 389.480 4.569 0 40 GJAB Cc1cccc(-n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)c1 2299677 UEUUXKRFPDCISU-UHFFFAOYSA-N 393.450 4.717 0 40 GJAB CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(C)c(F)c2)c2nc3ccccc3nc12 2424727 NZIKYNVXUDBBDU-ZDUSSCGKSA-N 392.434 4.559 0 40 GJAB COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1Nc1ccccc1 2633460 KRVMNACYQJYBMK-UHFFFAOYSA-N 375.424 4.998 0 40 GJAB COc1ccc(NC(=O)CCCSc2nc3ccccc3s2)cc1OC 2653919 PROBWVIFYVDYNB-UHFFFAOYSA-N 388.514 4.825 0 40 GJAB Cc1ccccc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1 2795692 NZCUVPSWRXPFBC-UHFFFAOYSA-N 385.817 4.561 0 40 GJAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2ccc(Cl)cc2)s1 2887564 YLFSHHIGIQOLNY-UHFFFAOYSA-N 375.856 4.577 0 40 GJAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4281954 KHISSCDJJUDGQH-XUZZJYLKSA-N 386.451 4.946 0 40 GJAB COc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2-c2cccc(C)c2)cc1 5477989 BUYUTPSEXUHZAM-UHFFFAOYSA-N 395.528 4.959 0 40 GJAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 6175866 MVGHVTPONJTSTG-KRWDZBQOSA-N 383.662 4.614 0 40 GJAB C[C@H](OC(=O)/C=C/c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 6429099 ROAONBIMZUFMDS-GETOMWPZSA-N 396.443 4.533 0 40 GJAB COc1ccc(-c2noc(COc3cccc(Cl)c3Cl)n2)cc1OC 7419825 PKJWIIQFYIEXAA-UHFFFAOYSA-N 381.215 4.640 0 40 GJAB CCOc1cc(CNC2CCCCCCC2)ccc1OCC(=O)NC(C)(C)C 7523410 NOOLWDNNEDOXQL-UHFFFAOYSA-N 390.568 4.581 0 40 GJAB CC[C@H](C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)c1ccccc1 7757764 YYEKDRKJNFQCFT-INIZCTEOSA-N 382.485 4.960 0 40 GJAB Cc1ccc(-c2noc(CNC(=O)c3ccccc3CCc3ccccc3)n2)cc1 7780757 VTVYNIPKXXPWJJ-UHFFFAOYSA-N 397.478 4.760 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c2)cs1 7990581 SHDGPVGFCBGVOT-FQEVSTJZSA-N 394.496 4.929 0 40 GJAB O=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(Cl)cc1Cl 8071198 FGACLPVVPMLGFG-UHFFFAOYSA-N 377.149 4.747 0 40 GJAB Cc1cccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1 9135387 YXOGCZGDFBXPIT-UHFFFAOYSA-N 386.451 4.867 0 40 GJAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC[C@H]1c1nc2ccccc2s1 9516478 ZQNGKKPOKOCJGI-PBHICJAKSA-N 398.915 4.865 0 40 GJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1F 11224419 IDOCXFHTMJUFBW-UHFFFAOYSA-N 396.853 4.863 0 40 GJAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 11614174 DCKILVYOCHAQLX-SECBINFHSA-N 376.692 4.787 0 40 GJAB COc1cc(CN(C)C(=O)c2ccccc2F)ccc1OCc1ccccc1 12598645 INFLWUTWHHJXLA-UHFFFAOYSA-N 379.431 4.686 0 40 GJAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 12610234 LXZRMZJQDHPVID-INIZCTEOSA-N 389.455 4.876 0 40 GJAB CC(=O)c1ccc(N(C(=O)c2cnc(C)cn2)c2nc3ccccc3s2)cc1 12798733 CVQJOSIKMWOBFC-UHFFFAOYSA-N 388.452 4.576 0 40 GJAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)/C=C/c1ccc(SC)cc1 14236203 QIZJJGRWNMNXIZ-DHZHZOJOSA-N 399.541 4.972 0 40 GJAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 15008549 NESCCBNJEJXLLX-XDHOZWIPSA-N 394.496 4.793 0 40 GJAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 16610554 GEJXDBCHKSEZKE-ZDUSSCGKSA-N 397.500 4.786 0 40 GJAB Cc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2)cc1 20442557 QPTGVEFXIOKEKV-UHFFFAOYSA-N 388.515 4.745 0 40 GJAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 21557469 SROSGLFGQDFPTI-VLIAUNLRSA-N 398.890 4.718 0 40 GJAB Cc1ccc(Cl)c2sc(N(C[C@H]3CCCO3)C(=O)C3CCCC3)nc12 22890508 QTDQBMMSDWDUMG-CQSZACIVSA-N 378.925 4.960 0 40 GJAB COc1ccc(-c2nsc(NC(=O)c3oc4cc(C)ccc4c3C)n2)cc1 27794384 MHQWRNCJVJWTSL-UHFFFAOYSA-N 379.441 4.829 0 40 GJAB Cc1ccc(NC(=O)COc2ccccc2-c2noc(Cc3ccccc3)n2)cc1 33324984 PDAWXSBGCWLDRM-UHFFFAOYSA-N 399.450 4.653 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 35684660 KMMYMKJFWDUYKI-MRXNPFEDSA-N 384.798 4.514 0 40 GJAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38848585 MWRQPCGCNXHADX-QGZVFWFLSA-N 377.315 4.522 0 40 GJAB CCN(CC)Cc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39758174 DQFPYWSLTSIBSZ-UHFFFAOYSA-N 393.575 4.688 0 40 GJAB C[C@H]1C[C@@H](C)CN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)C1 39844546 MHCWUJPPBJEWTP-CALCHBBNSA-N 396.512 4.657 0 40 GJAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2cccc(Cl)c2)c1 40267090 IMMITLPNKNLRNL-HNNXBMFYSA-N 383.835 4.667 0 40 GJAB O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 49509752 AKVLMJICKPNHQU-CSKARUKUSA-N 392.842 4.788 0 40 GJAB Cc1cc(F)ccc1NC(=S)Nc1ccc(I)cc1 71761197 RDEFALGBBVXGQJ-UHFFFAOYSA-N 386.233 4.548 0 40 GJAB Cc1cccc(-c2nnc(C3(c4ccc(Br)cc4)CCOCC3)o2)c1 71889906 YCZXONLVMHVLKS-UHFFFAOYSA-N 399.288 4.904 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)Nc1cccs1)C(F)(F)F 72311239 RVVZYQSCSHUMFR-MRXNPFEDSA-N 394.422 4.976 0 40 GJAB CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(CCCc2ccccc2)C1 72350653 NMUKASUATLUVPG-OAQYLSRUSA-N 389.547 4.598 0 40 GJAB O=C(C[C@@H]1CCCN1C(=O)c1ccc(-n2cccc2)c(F)c1)c1cccs1 79045272 JNGGZJZQJUCSOI-INIZCTEOSA-N 382.460 4.556 0 40 GJAB Cc1noc(C)c1[C@@H]1SCC(O)=Nc2c1cnn2Cc1ccc(Cl)cc1 79495260 XMMGXQXHYYIACD-QGZVFWFLSA-N 388.880 4.614 0 40 GJAB Cc1cc(C)c(C)c(OC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1 95361033 RUAUSTYGPHVTPK-QGZVFWFLSA-N 384.451 4.600 0 40 GJAB O=S(=O)(Cc1ccccc1Cl)NCc1ccccc1-c1ccsc1 96122961 GIRWPHCLEDUJCK-UHFFFAOYSA-N 377.918 4.688 0 40 GJAB CCCCCCc1cc2cc(C(N)=O)/c(=N/c3cccc(OC)c3)oc2cc1O 100165260 PVSKARZZXJULPJ-BZZOAKBMSA-N 394.471 4.601 0 40 GJAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 105338764 FRJKPPCPXSHEII-UONOGXRCSA-N 376.294 4.656 0 40 GJAB CC(=O)Oc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)cc1 212486616 PFISPJNMSTUCKH-XNTDXEJSSA-N 397.839 4.825 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219316133 JZEQISXPAYXOJI-KRWDZBQOSA-N 399.878 4.514 0 40 GJAB C[C@@H](Oc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 219481430 WWQXYNUWNZETDI-CYBMUJFWSA-N 384.328 4.810 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1cccc(OC(C)C)c1 222996126 SOFDCFMMAXJBHR-HSZRJFAPSA-N 383.532 4.997 0 40 GJAB O=C(CCc1ccccc1F)NCc1ccc(OCc2ccc(F)cc2)cc1 223250600 RSWMJVAMKVVSQP-UHFFFAOYSA-N 381.422 4.793 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 224229745 PKJSHRSUTCPWAK-CQSZACIVSA-N 381.501 4.909 0 40 GJAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 224926498 DNPHFLHELGDHJV-UHFFFAOYSA-N 397.950 4.791 0 40 GJAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1OC 225302130 KIMWHZGXFGSPSI-UHFFFAOYSA-N 396.965 4.577 0 40 GJAB COC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OC 225686114 MQQZFJLPNPPHFQ-UHFFFAOYSA-N 387.863 4.586 0 40 GJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(Br)cc1 225702453 VIAZXSWTAVEOMO-KRWDZBQOSA-N 391.334 4.822 0 40 GJAB Cc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1Cl 225820567 JVPQMNHVUPIMSV-UHFFFAOYSA-N 393.299 4.838 0 40 GJAB CCOC(=O)c1cc(NC(=S)NC2(c3ccco3)CCCC2)ccc1Cl 225866365 OELPDMINTHVGJA-UHFFFAOYSA-N 392.908 4.866 0 40 GJAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)c2ccc(O)cc2)CO[C@H]1c1ccc(F)cc1 257222405 DTEDTSVSJPMBKH-FIXSFTCYSA-N 397.490 4.940 0 40 GJAB CCN(CC)c1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1 257263925 LSBBCAJSXCDZCB-UVFBAWLLSA-N 384.564 4.551 0 40 GJAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)CC(C)C)c3)nc2c1 408627619 MPQQNAYNLBVIHG-UHFFFAOYSA-N 381.501 4.971 0 40 GJAB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3c(O)ccc4ccccc34)S2)cc1 408772867 NRKKQBOAKPJSQV-IMEWXKHHSA-N 376.481 4.707 0 40 GJAB Cc1ccccc1CNC(=O)c1ccc2ncn(-c3ccc(Cl)cc3)c2c1 1524200850 PNJKEEQHKKYDDH-UHFFFAOYSA-N 375.859 4.917 0 40 GJAB O=C(N[C@H]1CCSc2ccc(F)cc21)[C@@H](O)c1ccc(Cl)c(Cl)c1 1539322539 KCPJDKGBWUFJLJ-HOCLYGCPSA-N 386.275 4.519 0 40 GJAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3cccc4ccccc34)oc2c1 651797 TVJLHZICTJPRMD-LCUIJRPUSA-N 385.467 4.764 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 856419 OFFVZACCEBBGDO-UHFFFAOYSA-N 393.390 4.795 0 40 GJAB O=CNc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 1405009 PROJRKQQZJHEQJ-UHFFFAOYSA-N 382.395 4.509 0 40 GJAB Cc1coc2cc3oc(=O)c(CCC(=O)NCc4ccc(F)cc4)c(C)c3cc12 2151717 JDOLJPIZIFQAFD-UHFFFAOYSA-N 393.414 4.544 0 40 GJAB biogenic C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)NCCC1=CCCCC1 2628451 CISDWYZGPWRWSF-AWEZNQCLSA-N 388.562 4.769 0 40 GJAB C[C@@H](OC(=O)c1cccc2ccccc12)C(=O)Nc1ncc(Cl)cc1Cl 2652311 KIQKDYMQZQWCKX-LLVKDONJSA-N 389.238 4.726 0 40 GJAB CCOc1ccc(-n2c(SCc3ccccc3)nc3c(c2=O)SCC3)cc1 2719909 CJZILUFVXGLMGZ-UHFFFAOYSA-N 396.537 4.572 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2C)ns1 4167462 WYVORNQFTYIALH-UHFFFAOYSA-N 385.514 4.643 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2)c(C)c1 4200725 YVRJEIIONAYHRA-UHFFFAOYSA-N 395.509 4.776 0 40 GJAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N(C)c1ccccc1 4596933 LNMNGACDXKIPQN-CQSZACIVSA-N 396.491 4.563 0 40 GJAB Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@@H](C(C)(C)C)CC4 4824362 YSZKQYFDMSKJNV-AWEZNQCLSA-N 392.528 4.554 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 5099321 WEUUDRVFZDJLBQ-UHFFFAOYSA-N 390.439 4.524 0 40 GJAB COc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 5136274 MRDRTRKVEJOURD-UHFFFAOYSA-N 392.480 4.602 0 40 GJAB Cc1nc(SCC(=O)N[C@@H](C)c2cccc(Cl)c2)n(CC(C)C)c1C 5152112 HLUHIUWBAXTPJY-AWEZNQCLSA-N 379.957 4.779 0 40 GJAB Cc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2)cc1 5484095 ZQKXIMDJQYWERJ-DEOSSOPVSA-N 384.479 4.733 0 40 GJAB Cc1ccc(C(=O)OCCCOc2ccc(F)cc2)cc1NC(=O)c1ccco1 5994800 YDIRVJFRFAMZPA-UHFFFAOYSA-N 397.402 4.605 0 40 GJAB CCc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 6609292 ONJSEZXOUHUISC-UHFFFAOYSA-N 381.398 4.807 0 40 GJAB Cc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 6753253 CQZQDPZQJNELTQ-HSZRJFAPSA-N 399.450 4.738 0 40 GJAB aggregator COc1ccc(CCNCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1OC 6760712 AASWGNNHGGZGDZ-VWLOTQADSA-N 397.559 4.753 0 40 GJAB COc1ccc(C2=NN(C(=O)CSc3ccccc3)[C@@H](c3ccco3)C2)cc1 6838527 LZJYLSHVUCJYHG-HXUWFJFHSA-N 392.480 4.758 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1CCc1ccccc1 7288960 UKZQOWHGGIXWFV-UHFFFAOYSA-N 381.501 4.583 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1Cl 7921046 WDBMVCFPBPNKQQ-UHFFFAOYSA-N 376.840 4.948 0 40 GJAB O=C(Nc1nc(CN2CCCC2)cs1)C(c1ccccc1)c1ccccc1 8036269 WSPZFZSEZFSSSR-UHFFFAOYSA-N 377.513 4.510 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c1 8335694 YHGCWBDFSXUKNC-UHFFFAOYSA-N 392.484 4.576 0 40 GJAB Cc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 8902646 OQPDXENVJQFCBL-UHFFFAOYSA-N 377.425 4.702 0 40 GJAB O=C(OCc1c(F)cccc1Cl)c1ccccc1OCc1cscn1 9165399 XZCYXZOPWHMXPC-UHFFFAOYSA-N 377.824 4.872 0 40 GJAB Cc1ccc(C(=O)Nc2c(C(=O)c3ccc4c(c3)OCO4)oc3ccccc23)cc1 9328363 ZKCBVBJWVOZXHJ-UHFFFAOYSA-N 399.402 4.953 0 40 GJAB COc1cc(CNC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1OC(F)F 10466249 KHPMAZFHOPWWLT-GFCCVEGCSA-N 390.386 4.603 0 40 GJAB CC(C)c1cc(C(=O)Nc2cccc(F)c2)nn1-c1nc2ccccc2s1 12223560 YPRVBPYBSNERJW-UHFFFAOYSA-N 380.448 4.997 0 40 GJAB COc1ccc(-c2c(-c3ccc(OC)cc3O)nc(C)nc2C(F)(F)F)cc1 12478190 VFEHLPJMPAIDSP-UHFFFAOYSA-N 390.361 4.861 0 40 GJAB biogenic COc1ccc(Cl)cc1CN(C)[C@H](C)c1nc(N)c2c(C)c(C)sc2n1 12532850 RJRZIEIYRREYAO-LLVKDONJSA-N 390.940 4.745 0 40 GJAB COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc3ncsc3c2)cc1 12819083 OGDWEHFPEGXEAR-UHFFFAOYSA-N 380.391 4.510 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1ccc2c(c1)CCCC2 12860198 GNMWWOPKEVKGIW-UHFFFAOYSA-N 387.527 4.569 0 40 GJAB COc1cccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccccc2Cl)c1OC 13571004 JGDCAJMXSVSNEK-CQSZACIVSA-N 397.862 4.975 0 40 GJAB O=C1C[C@H](c2ccc(F)cc2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081474 CAUKDTWGBGSLHN-CQSZACIVSA-N 385.391 4.866 0 40 GJAB CC[C@@H]1CCc2sc(C(=O)Nc3ccc(N4CCCC4=O)c(OC)c3)cc2C1 15544799 FVOOIXANODFLPA-CQSZACIVSA-N 398.528 4.651 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)c(C)c1C 16780620 NZUMFZBKXCHQBP-UHFFFAOYSA-N 398.322 4.574 0 40 GJAB CCc1cc(C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)n(C)n1 19522180 IRPLIKBDABKQMP-UHFFFAOYSA-N 395.315 4.589 0 40 GJAB COc1cccc(-c2ccc(NC(=O)CC[C@@H]3C(=O)Nc4ccccc43)cc2)c1 19664822 CLPOWHHZHXEHMR-NRFANRHFSA-N 386.451 4.817 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1OC 20043356 IXRYMAPFSGOUJM-HXUWFJFHSA-N 399.531 4.617 0 40 GJAB Cc1ccc(-c2nc(N3CCN(c4ccccc4)CC3)nc3c2CCCC3)cc1 20798144 LMDQKOVSKZNPCD-UHFFFAOYSA-N 384.527 4.657 0 40 GJAB CCOc1cc2c(cc1CSc1nnc(-c3ccccc3OC)o1)O[C@H](C)C2 21977551 KVHBNYXZNXUUGZ-CYBMUJFWSA-N 398.484 4.760 0 40 GJAB Cc1cccc(CSCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 22527870 QBBJGUQVFILWSI-HXUWFJFHSA-N 396.600 4.890 0 40 GJAB CC(=O)Nc1cccc(-n2c(SCc3ccc(F)cc3)nnc2C2CC2)c1 26132094 KEEZEPILZAVUQS-UHFFFAOYSA-N 382.464 4.535 0 40 GJAB COc1ccccc1N[C@@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 28758282 OYVQCXRUGKWOAG-INIZCTEOSA-N 392.503 4.618 0 40 GJAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c(Br)c1 30847520 FRWSTQBAYYYESS-ZDUSSCGKSA-N 394.284 4.968 0 40 GJAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1ccc(F)c(F)c1 32609760 CWKSSPBHHJFLAJ-UHFFFAOYSA-N 393.796 4.871 0 40 GJAB CC(C)(C)c1ccc(N2CC(=O)N(c3ccc(C(C)(C)C)cc3)CC2=O)cc1 32647179 IKHUZZAYQFNWKY-UHFFFAOYSA-N 378.516 4.661 0 40 GJAB CCCCC1CCC(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 32760616 PAAYDXJQAXBLRH-MHJFOBGBSA-N 386.584 4.707 0 40 GJAB COc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)cc(OC)c1C 32819144 RAOCMBZMBWXRIT-UHFFFAOYSA-N 387.526 4.978 0 40 GJAB O=C(c1cc(Cl)c2c(c1)OCCO2)N(Cc1c(F)cccc1Cl)C1CC1 32880016 JBSKQNPZWXLILC-UHFFFAOYSA-N 396.245 4.709 0 40 GJAB O=C(Nc1ccc(-c2nccs2)cc1)N1CCC([C@@H](O)c2ccccc2)CC1 48326626 JZVOCNVJPRUZTC-FQEVSTJZSA-N 393.512 4.788 0 40 GJAB CCN(C(=O)NC1CCN(c2ccccn2)CC1)[C@@H](C)c1cc2ccccc2o1 56658029 VYRZUBPLKFYCFC-KRWDZBQOSA-N 392.503 4.589 0 40 GJAB Cc1ccc(C)n1-c1c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cnn1C 58426798 VTGIOVHGXQINQA-UHFFFAOYSA-N 391.475 4.519 0 40 GJAB O=C(NCc1ccc(-n2ccnc2)cc1)c1cnc(-c2ccccc2Cl)s1 64947618 UOSJTAGHJITIFR-UHFFFAOYSA-N 394.887 4.579 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)cc3C)oc12 67293462 FIWVWTFRDPUHSN-LCUIJRPUSA-N 399.450 4.938 0 40 GJAB O=C(O)[C@@H]1CC(=O)N(c2ccc3nc(-c4ccc(-c5ccccc5)cc4)oc3c2)C1 70461304 RJMTVMSJDBMKFG-GOSISDBHSA-N 398.418 4.599 0 40 GJAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@@H](c2cccc(O)c2)SC1 95478744 XUGNKFPLSNMGTA-GOSISDBHSA-N 385.876 4.715 0 40 GJAB CC1CCN(c2ccc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)cc2)CC1 141538719 RWFYWLWDUGPWLF-UHFFFAOYSA-N 392.478 4.559 0 40 GJAB Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccccc1OC(F)F 154974311 KJXWVVRESHZOFS-UHFFFAOYSA-N 377.778 4.688 0 40 GJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(O)cc3)N21 222708310 HVNHJGGOJWWVHH-IWMITWMQSA-N 390.512 4.557 0 40 GJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2cccc(C)c2)cc1C(C)C 223322400 DTHVUDVMGKWICU-QGZVFWFLSA-N 375.534 4.616 0 40 GJAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c(C)c1 225478542 JLKQQKFXCBIUNU-QGZVFWFLSA-N 381.545 4.786 0 40 GJAB CCOc1ccc(C2(NC(=S)Nc3ccc4c(c3)OCO4)CCCC2)cc1 225852029 GTGMHGGIIWPYKZ-UHFFFAOYSA-N 384.501 4.570 0 40 GJAB Cc1ccc(O)c([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(F)cc3)O2)c1 257316404 VFLLBQANEKKWJR-XJUOHMSHSA-N 385.479 4.963 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCC[C@H]1CC 260408936 TWYOXYUIWIIMBY-IEBWSBKVSA-N 383.001 4.982 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 408557449 MVFBLCTZDRGOCQ-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 408737331 NMKYHFYYUMZYQY-HSZRJFAPSA-N 386.495 4.598 0 40 GJAB O=C1/C(=C\c2ccncc2)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 408843265 RFIBQUDTRXJUCL-CPNJWEJPSA-N 377.806 4.709 0 40 GJAB CCCCC(F)(F)[C@@]1(O)CC[C@@H]2C(CCCCCCC(=O)O)=C([O])C[C@H]2O1 1560409987 AWQADFWILDDZJZ-WRWLIDTKSA-N 389.459 4.809 0 40 GJAB C=CC(=O)NCc1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2(C)C)cc1 1584988297 VEXKYQKJQHZQIG-FQEVSTJZSA-N 396.918 4.551 0 40 GJAB O=C(c1ccccc1)c1ccc(OC(=O)c2ccccc2Br)cc1 704464 GUXQJEVYSZKTIZ-UHFFFAOYSA-N 381.225 4.899 0 40 GJAB O=C(N/C(=C/c1ccccc1Cl)C(=O)N1CCCCCC1)c1ccccc1 709099 XJLZRVHRFTVQMV-CAPFRKAQSA-N 382.891 4.514 0 40 GJAB CCOc1ccc2cc3c(N)c(C(=O)N[C@H]4CCCC[C@H]4C)sc3nc2c1 891629 XBLYZWYPPKOVHT-WBMJQRKESA-N 383.517 4.739 0 40 GJAB O=C1Sc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)c3cccc1c23 950294 XYNHBKKVCCWIPO-UHFFFAOYSA-N 375.858 4.540 0 40 GJAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2ccccc2c(=O)o1 1095822 QWOWUHOMASRFEM-UHFFFAOYSA-N 383.447 4.745 0 40 GJAB CCN(CC)CCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 1305174 JXXDJFQXWVGNHK-UHFFFAOYSA-N 397.592 4.995 0 40 GJAB CCc1ccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 1351052 WPEHROQONRMYHX-UHFFFAOYSA-N 393.478 4.787 0 40 GJAB aggregator COc1ccc(Cn2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1 2252657 ZPECCUUXEKOGCC-UHFFFAOYSA-N 384.414 4.843 0 40 GJAB CC[C@@]1(C)Cc2ccccc2-c2c1c(=O)n1c(SC(C)C)nnc1n2C(C)C 2256727 NPJSLDPOOQKPMH-QFIPXVFZSA-N 396.560 4.863 0 40 GJAB Clc1ccccc1CSc1nnc(-c2cccnc2)n1Cc1ccco1 2387553 VOECGSZDDVHXTQ-UHFFFAOYSA-N 382.876 4.927 0 40 GJAB CCCCn1c(SCC(=O)c2ccccc2)nnc1-c1ccc(OC)cc1 2620129 AKJOGAUIGYKEFZ-UHFFFAOYSA-N 381.501 4.729 0 40 GJAB O=C(CCSc1ccccc1Cl)OCC(=O)c1ccc(Cl)s1 3297213 OMNNYFZADOXTRW-UHFFFAOYSA-N 375.298 4.963 0 40 GJAB CCc1ccc2nc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)sc2c1 3437883 OFHIFLIJZUZHCM-JTQLQIEISA-N 383.498 4.544 0 40 GJAB O=C(COC(=O)c1sc2ccccc2c1Cl)NCc1ccc(Cl)cc1 3448066 NFGRUVSQTJEPPV-UHFFFAOYSA-N 394.279 4.681 0 40 GJAB COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)c1 4088730 GUIXKBXOEGETCB-UHFFFAOYSA-N 385.876 4.533 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1cccc(Cl)c1 4305489 GTECVFLOMVSTSH-IBGZPJMESA-N 382.916 4.935 0 40 GJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1Cl 4557596 FMIVZCLVVSWWBS-UJKMTWAASA-N 385.850 4.737 0 40 GJAB biogenic Cc1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1F 5471597 KVFFSHNTSNFSKO-UHFFFAOYSA-N 377.415 4.526 0 40 GJAB COc1ccc(C(=O)CSc2nnc(C)n2C2CCCCC2)cc1Cl 7016104 KVRGUNRNYGXCRG-UHFFFAOYSA-N 379.913 4.729 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2C)c(C)c1 7406756 ZIPPZQUQDKMONT-UHFFFAOYSA-N 376.909 4.576 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 7718797 VTNVRDOBLWHLSH-BJKOFHAPSA-N 397.474 4.948 0 40 GJAB CCOc1ccccc1NC(=O)COC(=O)c1oc2c(Cl)cccc2c1C 7785494 WTCDQQZKLBSDNG-UHFFFAOYSA-N 387.819 4.589 0 40 GJAB CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCc1ccccc1Cl 8326295 RMTAQUJKUYAEJV-INIZCTEOSA-N 398.330 4.832 0 40 GJAB O=C(Cc1noc2ccccc12)Nc1nc(-c2cc3ccccc3o2)cs1 9873803 AOFRSWUQGOYFTD-UHFFFAOYSA-N 375.409 4.879 0 40 GJAB CCCCCNC(=O)C(=O)c1c(-c2ccc(OC)c(Cl)c2)cc2ccccn12 10119255 BWKSPCSGVDPPRB-UHFFFAOYSA-N 398.890 4.757 0 40 GJAB COc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1Cl 10741216 NENOPUBIRJDLCX-UHFFFAOYSA-N 397.887 4.906 0 40 GJAB COc1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Cl)cc1 11914526 GGHWDVXKZDWNFF-UHFFFAOYSA-N 399.903 4.992 0 40 GJAB CCN(CC)C(=O)c1ccc(N[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 12554500 PWXFHFXIUTXFTJ-GOSISDBHSA-N 381.520 4.533 0 40 GJAB COc1cccc(CNC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)c1 12914066 REWKFWMPHNWOBL-UHFFFAOYSA-N 399.450 4.651 0 40 GJAB COc1ccc([C@H](CNC(=O)c2cc(Cl)sc2Cl)N2CCCC2)cc1 12933080 MJRFWPMKTVMJSO-HNNXBMFYSA-N 399.343 4.630 0 40 GJAB CC(C)(C)c1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 12994548 XDVUWMUVQHUBCH-UHFFFAOYSA-N 382.548 4.645 0 40 GJAB Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccc(C)o3)N(C)C)sc2c1 15860350 HAGQEQUVZPKEKR-CQSZACIVSA-N 376.909 4.797 0 40 GJAB CCCN(CC1CC1)C(=O)CSc1nc2ccccc2n1-c1ccccc1 15913813 JBBDCVUEYIRCSW-UHFFFAOYSA-N 379.529 4.766 0 40 GJAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1cccc(Br)c1 16101645 XDHNIYVTWYIZQG-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB O=C(C[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 16477341 JGEUMCIBCXYGKV-XMMPIXPASA-N 388.486 4.962 0 40 GJAB Cc1nc2nc(SCc3ccc(Cl)cc3)nn2c(O)c1Cc1ccccc1 18029815 ADBJUMPXKRJEFV-UHFFFAOYSA-N 396.903 4.675 0 40 GJAB Cc1ccc2c(c1)c(C)c(C(=O)N1CCC[C@H](c3cc4ncccc4[nH]3)C1)n2C 19220346 LKUDBIKZJQTMJB-KRWDZBQOSA-N 386.499 4.691 0 40 GJAB NC(=O)c1ccccc1NCc1cc(-c2ccccc2)cnc1-c1ccncc1 19374006 IFAZNCVJYHHXHD-UHFFFAOYSA-N 380.451 4.522 0 40 GJAB C[C@H](c1ccccc1)N(Cc1cccnc1)C(=O)Cc1ccc2c(c1)CCCO2 19459445 WBJGEQBPUGRMFV-LJQANCHMSA-N 386.495 4.739 0 40 GJAB CC(=O)N1CCCCC[C@@H]2N(C(=O)c3ccccc3)[C@H](c3ccccc3)C[C@@]21C 19713515 KIZHFQUSDISKIJ-LSQMVHIFSA-N 390.527 4.824 0 40 GJAB Cc1ccc(-c2csnn2)cc1NC(=O)CCCn1c(C)nc2ccccc21 19719286 KKOSCTNKONQICZ-UHFFFAOYSA-N 391.500 4.591 0 40 GJAB Cc1cc(C)cc(-c2nnc3sc(-c4ccccc4Br)nn23)c1 19910174 FCYZFUMEJDLWED-UHFFFAOYSA-N 385.290 4.899 0 40 GJAB CC(C)c1n[nH]c(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1 21141362 GGCAIVROBQXQGS-OAHLLOKOSA-N 396.516 4.626 0 40 GJAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1COc2ccccc2C1 24964401 SHOPYMFHBMHECH-RBBKRZOGSA-N 396.490 4.667 0 40 GJAB CC(C)c1cc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c2ccccc2n1 26390703 JQSNRUBHFGOUIQ-QGZVFWFLSA-N 399.498 4.772 0 40 GJAB OCCCSc1ncnc2cc(-c3ccc(Br)cc3)sc12 26675908 MGMKBQTZAWIMPS-UHFFFAOYSA-N 381.320 4.595 0 40 GJAB O=C(c1sc2cccc(Cl)c2c1Cl)N1CCN(c2ccccn2)CC1 28225774 JJINASOOLFPIHH-UHFFFAOYSA-N 392.311 4.566 0 40 GJAB COc1ccc(OC)c(CN(Cc2coc(-c3ccc(C)cc3)n2)C2CC2)c1 28980644 SMXOSICDVSBVAA-UHFFFAOYSA-N 378.472 4.832 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccccc1F 30869037 SZJHYMABHOOYNC-SFHVURJKSA-N 381.900 4.686 0 40 GJAB CCOc1cc(C(=O)Nc2cc(F)ccc2C)ccc1OCc1cccnc1 32062889 DUSPJBVQNDKNCO-UHFFFAOYSA-N 380.419 4.759 0 40 GJAB Cc1ccccc1CNC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1 32579167 SRRUMKMAYJAFSN-UHFFFAOYSA-N 399.450 4.554 0 40 GJAB COc1ccc(CN(CC[S@@](=O)c2cc(Cl)ccc2Cl)C2CC2)cc1 32937543 SWTDUVHFBUYUMQ-VWLOTQADSA-N 398.355 4.774 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2ncnc3c2[nH]c2ccccc23)c(C)c1 33172411 CZTMFLPMPRKIJB-UHFFFAOYSA-N 376.485 4.767 0 40 GJAB COc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1ccc(Br)cc1 36357066 KUYOVPSUWOXTKB-OAHLLOKOSA-N 398.260 4.767 0 40 GJAB COc1cccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)o2)c1 36664548 QHDGSWGSHFWXJP-UHFFFAOYSA-N 391.452 4.629 0 40 GJAB O=C(CCc1ccc(F)cc1)N1CCc2nc(-c3ccccc3F)sc2C1 36752147 VGAFEAOKLDOWTO-UHFFFAOYSA-N 384.451 4.606 0 40 GJAB COc1ccc(CCC(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1 40111313 NAZHWTBGBRWAFO-UHFFFAOYSA-N 386.448 4.538 0 40 GJAB CN(C(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccccc1 44910228 MEVATSBBIOSZLK-OAHLLOKOSA-N 377.315 4.868 0 40 GJAB COc1ccc2c(c1)CCCN2C(=O)CSCc1nc2ccccc2s1 45594218 IRADTLDRVWOADZ-UHFFFAOYSA-N 384.526 4.518 0 40 GJAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(F)cc4)ccc32)cc1 46078557 FUFUTFMSIUQSGO-UHFFFAOYSA-N 388.442 4.979 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(C3CC3)[C@H](C)C3CC3)c3c(C)noc3n2)s1 47449154 SQGAOLJVNQTHSL-CYBMUJFWSA-N 381.501 4.971 0 40 GJAB C[C@H](c1ccco1)N(C(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CC1 56182672 ZAAYDCDNAZDRFU-CQSZACIVSA-N 380.469 4.959 0 40 GJAB Cc1cc2cc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)ccc2[nH]1 58393434 CQTBBUDZNGHVRK-UHFFFAOYSA-N 384.361 4.933 0 40 GJAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 59227238 DJGZUARVTPAECD-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB COc1ccc([C@H](CNC(=O)[C@@H](C)c2ccc(C)s2)N2CCCCC2)cc1 72311313 AQEMUUHUCOGWOY-PXNSSMCTSA-N 386.561 4.512 0 40 GJAB CCN(C(=O)[C@@H](C)[S@](=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 78556048 YLYSVNUUJOKYJF-OZAJXLCCSA-N 384.328 4.684 0 40 GJAB CN(C)c1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1F 83854328 ZQBQORYBOAWFME-UHFFFAOYSA-N 395.459 4.691 0 40 GJAB Cc1ccc(C[C@H]2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)[C@H]2C)cc1 100174030 PRZOYCUDJDYFQE-JVJUCQNHSA-N 379.544 4.765 0 40 GJAB COc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OC(C)C 100765559 BQKKSVWAFAUGSN-NHCUHLMSSA-N 399.506 4.636 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C 224148437 HYDDKKPDTJONKE-CYBMUJFWSA-N 387.892 4.881 0 40 GJAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)c1 224295204 FHZCFGXEAXQFAM-NHCUHLMSSA-N 376.529 4.522 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccccc1Cl 224455140 BVTVOVZUIPKMCZ-LJQANCHMSA-N 383.875 4.846 0 40 GJAB COC(C)(C)CCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1Cl 225629922 CIUNHFJGYGFNPU-UHFFFAOYSA-N 383.916 4.822 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225842047 NGHALDUVHRGCMO-YCRPNKLZSA-N 379.497 4.574 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NC2(c3cccs3)CCCC2)c(C)c1 225864924 BQVICDBINKMWQG-UHFFFAOYSA-N 388.558 4.989 0 40 GJAB CCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 225876804 BTEOJXOZOHTSNY-UHFFFAOYSA-N 388.895 4.519 0 40 GJAB Cc1cc(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)ccc1Cl 226312127 GKMKCDWVHMIGAY-UHFFFAOYSA-N 382.272 4.511 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 408543804 QTPCQPZPUBWUHM-WMZOPIPTSA-N 391.521 4.657 0 40 GJAB O=S1(=O)C=C[C@@H](N(Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 575421306 OJOUMUZHPSGRAJ-HSZRJFAPSA-N 389.520 4.589 0 40 GJAB C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cnc(O)c2ccccc12 585082866 BDTNFHQXJVVYRN-CYBMUJFWSA-N 388.389 4.662 0 40 GJAB CC(=O)N1CCCCCCCN(Cc2ccccc2F)Cc2ccc(CO)cc21 643588705 HFQRJKTYGIYMFW-UHFFFAOYSA-N 398.522 4.637 0 40 GJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc(C)c3C)c2c1 952860 LUEPPNRFEFSCLM-UHFFFAOYSA-N 392.455 4.949 0 40 GJAB COc1ccccc1NC(=S)N1CCC(c2nc3ccccc3s2)CC1 1327057 JMRGETZNIKVHJK-UHFFFAOYSA-N 383.542 4.881 0 40 GJAB Cc1cc2cc(CN(Cc3ccccc3)C(=O)c3ccccc3)c(=O)[nH]c2cc1C 1366560 UEEFKUZWBJXDFR-UHFFFAOYSA-N 396.490 4.988 0 40 GJAB COc1ccc(N2N=C(C(C)=O)N(C3CCCCC3)[C@H]2c2cccs2)cc1 2294509 HHCKYZSJVJNFPI-OAQYLSRUSA-N 383.517 4.813 0 40 GJAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1 2454464 XUPHFKIXCSIGQO-UHFFFAOYSA-N 394.544 4.864 0 40 GJAB CCN(Cc1ccccc1)C[C@@H](O)COc1ccc2oc3ccccc3c2c1 3214493 IXWIVMPIVBJBEJ-LJQANCHMSA-N 375.468 4.848 0 40 GJAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3254976 IMXRKKCDWWHDRP-UHFFFAOYSA-N 399.422 4.561 0 40 GJAB O=C(CN1C(=O)c2cccc3cccc1c23)NC(c1ccccc1)c1ccccc1 3347171 XIOCUMLOWMXYIV-UHFFFAOYSA-N 392.458 4.706 0 40 GJAB Cn1c(SCc2nc3ccccc3s2)nc2sc3c(c2c1=O)CCCC3 3350453 UPGMNELKWBBWHT-UHFFFAOYSA-N 399.566 4.776 0 40 GJAB CN(C(=O)/C=C/c1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078431 CYWGCMPZWKOWQQ-BQYQJAHWSA-N 379.529 4.682 0 40 GJAB COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)c1OC 4151479 ZDNWPEVWMMJZJR-BRLNETSTSA-N 379.456 4.699 0 40 GJAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c1 4289288 YRPIJAUYYANTBD-UHFFFAOYSA-N 398.462 4.990 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)NCCOc1cccc2cccnc12 4784644 GPSXRGQCCTTYTH-UHFFFAOYSA-N 396.490 4.952 0 40 GJAB COc1ccc(-c2nc3ccc(C)cn3c2NCCc2ccccc2)cc1OC 4848458 JBOLLFPXVFLHEJ-UHFFFAOYSA-N 387.483 4.982 0 40 GJAB N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccc(Cl)cc1)CCCN4CCC3 4921945 HDGMQDKOENISEX-UHFFFAOYSA-N 393.874 4.517 0 40 GJAB Fc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 5164840 XYTJWHSFAGZGJR-CVDCTZTESA-N 388.398 4.797 0 40 GJAB Cc1occc1-c1nnc(SCC(=O)c2cccs2)n1-c1ccccc1 5883983 ZOMWMGIJMADWCQ-UHFFFAOYSA-N 381.482 4.872 0 40 GJAB COc1ccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)cc1 6748007 GGWGYBHXUYROMC-UHFFFAOYSA-N 399.903 4.992 0 40 GJAB Cc1nc(-c2ccc(NC(=O)c3cncn3-c3ccc(F)cc3)cc2)cs1 8135784 ZVEFWZADPDSOJD-UHFFFAOYSA-N 378.432 4.696 0 40 GJAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 8323928 ZVGURUXJSPHWTJ-HNNXBMFYSA-N 393.516 4.575 0 40 GJAB CC(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 8747957 PNCUQGCNSQCWBL-UHFFFAOYSA-N 383.835 4.525 0 40 GJAB COc1ccc(CN(Cc2cccs2)C(=O)/C=C/c2ccco2)cc1OC 8769822 RLIDDAQZNQVSIX-CSKARUKUSA-N 383.469 4.601 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(NC(C)C)s1 8855975 DMVWPYQCHUMJAA-QWHCGFSZSA-N 378.567 4.991 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 9198235 NHBHHAWDLBOVPD-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB COc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 10368695 QUZDFEPXVYIQQV-UHFFFAOYSA-N 399.450 4.651 0 40 GJAB O[C@@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1 12292151 JFZDDZLIKOZMOM-DEOSSOPVSA-N 391.486 4.510 0 40 GJAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(F)c(F)c1 12762852 UWPVMRCYMWNVKF-OAQYLSRUSA-N 384.451 4.613 0 40 GJAB COc1cccc(-c2noc(CN(C)Cc3ccc(Cl)c(Cl)c3)n2)c1 15298528 GSQMERVLPQKFJZ-UHFFFAOYSA-N 378.259 4.684 0 40 GJAB Cc1cc(C)c(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)c(C)c1 16755692 AGGWNGYVDIPLBQ-UHFFFAOYSA-N 386.542 4.512 0 40 GJAB COc1cc(NC(=O)CSc2ccc(Br)cc2C)cc(OC)c1 18230580 ODAKPPHUOBHSST-UHFFFAOYSA-N 396.306 4.506 0 40 GJAB Cc1cccc(C2(O)CCN(Cc3c(C4CC4)[nH]c4ncc(C)cc34)CC2)c1 19234508 ZKIKFMXVGCJSSG-UHFFFAOYSA-N 375.516 4.541 0 40 GJAB Cc1c(C(=O)Nc2cccc3ccccc23)nnn1-c1ccc(OC(F)F)cc1 19911321 GPTNCDOOFOLXJY-UHFFFAOYSA-N 394.381 4.583 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)C 19933070 MBGWRSLHGCKBBI-SFHVURJKSA-N 390.936 4.988 0 40 GJAB Fc1ccc([C@H]2N=C(Nc3ccccc3)c3cnn(-c4ccccc4)c3N2)cc1 20799579 DFSGSVMBVNBFBR-NRFANRHFSA-N 383.430 4.994 0 40 GJAB CCc1ccc(Cn2nccc2NC(=O)c2csc(-c3ccsc3)n2)cc1 21599915 JVKORHPFLDWLQV-UHFFFAOYSA-N 394.525 4.931 0 40 GJAB Cc1ccc(C2(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)CCCC2)cc1 30822873 KXWKXLZQVQIOEO-OAHLLOKOSA-N 396.556 4.731 0 40 GJAB COc1ccc(CNC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)cc1OC 30991214 OKSMUGFHYUSGAE-OAQYLSRUSA-N 396.512 4.663 0 40 GJAB Cc1cccc(OCCCOc2ccccc2C(=O)NCc2ccccc2)c1 32741497 AGZXABWCQHHPMO-UHFFFAOYSA-N 375.468 4.773 0 40 GJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)COc1cc(Cl)ccc1Cl 32854588 ZCECEFNMLPZWBU-KRWDZBQOSA-N 381.303 4.855 0 40 GJAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1cc(Cl)ccc1Oc1ccccc1 32988036 KQFMUZXQRMVVHT-UHFFFAOYSA-N 395.768 4.986 0 40 GJAB CC(C)(C)c1ccc(OCCOc2ccccc2/C=C2/SC(=N)NC2=O)cc1 33419794 ALYKUSNHEGXOHF-XMHGGMMESA-N 396.512 4.581 0 40 GJAB Cc1ccc(C)c(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 35289057 UTQMWKQLDJBBBM-SEJPIABJSA-N 379.573 4.785 0 40 GJAB O=C(/C=C/c1ccccc1)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 40039734 WPHQDLRLKVLGAQ-JLHYYAGUSA-N 392.890 4.977 0 40 GJAB O=C1c2c(oc3ccccc3c2=O)[C@H](c2cccc(Cl)c2)N1Cc1ccco1 41104988 CYVOHVBBWDLAGJ-IBGZPJMESA-N 391.810 4.785 0 40 GJAB CC(C)(C)[C@@H](NC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)c1cccs1 47504463 BLHDBJJBNJLWBU-INIZCTEOSA-N 393.896 4.641 0 40 GJAB CSc1cccc(NC(=O)Cc2csc(Nc3ccc(Cl)cn3)n2)c1 49029712 UFCQXGNCYQVUSB-UHFFFAOYSA-N 390.921 4.838 0 40 GJAB CCC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 58173967 LRDIBBGVWQKYGZ-LSDHHAIUSA-N 384.467 4.969 0 40 GJAB Cc1csc(Sc2ccc(NC(=O)N3C[C@H](C)OC(C)(C)C3)cc2)n1 65466408 MNHSLJGEERHOHY-ZDUSSCGKSA-N 377.535 4.634 0 40 GJAB O=C(c1ccc(F)cc1Cl)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119073 QIZIQAQBIABAAB-LLVKDONJSA-N 391.855 4.610 0 40 GJAB Cc1nn2c(=O)cc(CSc3ccc(Cl)cc3)[nH]c2c1-c1ccccc1 100128332 CZXAIVHDMPNRSN-UHFFFAOYSA-N 381.888 4.944 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)cc12 101987272 RROVAUSODFWSPM-IIVZCXTMSA-N 379.529 4.950 0 40 GJAB CC(C)(C)c1ccccc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 104155569 KNQSPJUMWSJFMR-PQJGELLGSA-N 378.520 4.510 0 40 GJAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cc(Cl)c(O)c(Cl)c2)S1 222583752 IIDLYSWGSXLJGU-AMFBXLIHSA-N 380.300 4.683 0 40 GJAB COc1ccc(CNC(=S)Nc2ccc(Sc3ccccc3)nc2)cc1 223927442 HDCKOOVYDPXBIP-UHFFFAOYSA-N 381.526 4.728 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 225579214 SEUZWJDWFHBFPG-NZQKXSOJSA-N 394.559 4.568 0 40 GJAB O=C(NC[C@@H](O)c1csc2ccccc12)Nc1ccccc1C(F)(F)F 225699424 AYBVWMNRVTWXAW-OAHLLOKOSA-N 380.391 4.775 0 40 GJAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(F)cccc4F)OCC[C@@]31C2 257214077 CKKZUSRMDDFUNQ-YIULJTKISA-N 377.475 4.619 0 40 GJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)n1 257276285 NTCKDNGGBPXUDG-JBACZVJFSA-N 390.531 4.593 0 40 GJAB O=C(c1ccc(OCc2ccccc2)cc1)[C@@H](Br)CBr 382675391 OAKILLPHJLZHGW-HNNXBMFYSA-N 398.094 4.607 0 40 GJAB CCCCCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1OC 408983692 HAKKZAGIWYROPJ-RGEXLXHISA-N 379.456 4.917 0 40 GJAB CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(C)c(C)c1 409140851 GHZVOQWZAXHVBT-UHFFFAOYSA-N 376.294 4.954 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)c1c(F)ccc(C)c1Br)CCC2 1534300618 MGUNATKVBATZGE-INIZCTEOSA-N 392.268 4.713 0 40 GJAB CN(Cc1ccccc1)C(=O)CC1(CN2Cc3ccccc3C2=O)CCCCC1 1565524982 ZYEPLTPMPUSBNI-UHFFFAOYSA-N 390.527 4.642 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)c2cccc(F)c2F)CN1c1ccc(F)cc1 1615125203 ZWNUPURMAXKIMU-QFIPXVFZSA-N 388.433 4.768 0 40 GJAB Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccco1 905368 GVRDDDONRAKRHH-UHFFFAOYSA-N 390.468 4.532 0 40 GJAB Fc1ccc2oc(-c3ccc4c(c3)OCCO4)c/c(=N\Nc3ccccc3)c2c1 2415951 JAZUOHOBLICYJM-LGUFXXKBSA-N 388.398 4.938 0 40 GJAB Cc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1C 2889059 WNLIZMAWATXYMU-UHFFFAOYSA-N 395.510 4.635 0 40 GJAB O=C(CSc1nc(-c2ccccc2Cl)ns1)N1CCc2ccccc21 2917622 LBMAKOVLAXIRLH-UHFFFAOYSA-N 387.917 4.540 0 40 GJAB Cc1cc2nnc(SCC(=O)N(c3ccccc3)C(C)C)n2c2ccccc12 3262407 UUJBJPRWFPQGJY-UHFFFAOYSA-N 390.512 4.725 0 40 GJAB Cc1ccc(NC(=O)COC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 3412692 RVHVMVOEBNMAHH-UHFFFAOYSA-N 398.462 4.799 0 40 GJAB Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2c1ccc1ccccc12 3454866 WQQFFBBNUYHYQT-UHFFFAOYSA-N 388.442 4.996 0 40 GJAB Cc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)ns3)sc2c1 4167303 MDUSLQXRWHIPEX-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)o1 4834840 APWUUQHCHZXLEP-UHFFFAOYSA-N 393.390 4.795 0 40 GJAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(F)cc1F 6909323 NYUQXYWWNWWFLI-HXUWFJFHSA-N 377.394 4.555 0 40 GJAB CS(=O)(=O)c1ccc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)cc1 7737299 XBWJQMYZIDBFOX-UHFFFAOYSA-N 382.869 4.750 0 40 GJAB Cc1cc(F)ccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 7748824 PSLDPOQKNLBBEJ-OAQYLSRUSA-N 376.431 4.634 0 40 GJAB CCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(C)c1-c1ccc(OC)cc1 8080408 SJIYQEWXUUOSCO-XDOYNYLZSA-N 386.904 4.719 0 40 GJAB O=C(CSc1ccc2c(c1)OCCO2)N[C@H](c1ccccc1)c1cccs1 8327550 VLBWSXDNWDPQMX-OAQYLSRUSA-N 397.521 4.517 0 40 GJAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N3CCC(C)CC3)s2)c1C 9509523 GVMLDBAPAROTOO-OAHLLOKOSA-N 390.578 4.638 0 40 GJAB CCOc1ccccc1NC(=O)C1=Cc2cc(Br)ccc2OC=C1 12274597 RKDQGEXUIXIFES-UHFFFAOYSA-N 386.245 4.776 0 40 GJAB O=C(O)c1cc(-c2ccc(OC(F)F)cc2)nc2c1cnn2-c1ccc(F)cc1 12396195 XEHSDKNMXLSTMS-UHFFFAOYSA-N 399.328 4.526 0 40 GJAB CCc1ccc(-c2nc(C(=O)N3CCN(c4cccc(C)c4)CC3)cs2)cc1 12549069 VXSDCQJVECGSOP-UHFFFAOYSA-N 391.540 4.643 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cccs1 12737468 MQQNPNNXOGHPNJ-MRXNPFEDSA-N 378.497 4.752 0 40 GJAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1Cc1nc(C(C)(C)C)no1)OCCO3 12777659 OHFQHRYZQUFFSX-HNNXBMFYSA-N 397.519 4.527 0 40 GJAB COc1cc(NC(=S)Nc2ccccc2C(F)(F)F)cc(OC)c1OC 13935620 SRRGSJBIIZQBOZ-UHFFFAOYSA-N 386.395 4.540 0 40 GJAB Cc1ccc(C(=O)Nc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)cn1 14183565 UKNVNLZCQWLDGW-UHFFFAOYSA-N 394.500 4.750 0 40 GJAB COc1ccccc1OC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 15566611 UFSCNWMVDZJURU-UHFFFAOYSA-N 387.844 4.882 0 40 GJAB CCC(=O)c1ccc(OCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 16298680 IEVZJCHIVUSMAX-QGZVFWFLSA-N 389.904 4.665 0 40 GJAB Cc1noc2nc(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)cc(C(F)(F)F)c12 19564558 IUNZTVJPHGNKBB-CQSZACIVSA-N 393.409 4.612 0 40 GJAB O=C(O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3cccs3)cc12 20312606 BFQWWNOIDRAQRV-UHFFFAOYSA-N 399.449 4.660 0 40 GJAB CCC(=O)N1CCCc2cc(NC(=O)NCc3cccc4ccccc34)ccc21 22504775 YQIAHAQFKZZOPO-UHFFFAOYSA-N 387.483 4.851 0 40 GJAB Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccc(F)cc3F)nc12 25075088 UQDKNZCKOGCBGV-UHFFFAOYSA-N 393.393 4.752 0 40 GJAB Cc1cccc(N(CC(=O)c2ccc(Br)cc2)C2=NCCS2)c1 26506127 MTHFSQDXAYXVTO-UHFFFAOYSA-N 389.318 4.550 0 40 GJAB O=C(CCc1nc(-c2ccsc2)no1)N(Cc1ccco1)c1ccccc1 32837024 RNFHLDVTNXTRSO-UHFFFAOYSA-N 379.441 4.557 0 40 GJAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 33177244 HRZXZKGHMDCRQF-UHFFFAOYSA-N 391.315 4.746 0 40 GJAB Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Br 37385841 OYXFYAAVBAOXFF-UHFFFAOYSA-N 395.105 4.865 0 40 GJAB O=c1[nH]c(CSCCc2ccncc2)nc2cc(-c3ccc(F)cc3)sc12 40086345 BQDGDFPLDFVKOY-UHFFFAOYSA-N 397.500 4.662 0 40 GJAB CC(=O)N1CCc2cc(C(=O)N[C@@H](C)Cc3ccc(-c4ccccc4)cc3)ccc21 40145888 IJDOTRMIKXMUNC-SFHVURJKSA-N 398.506 4.624 0 40 GJAB O=C(Nc1cccc(I)c1)c1cc2cc(Cl)ccc2o1 41306158 QRCPHFJUEXFYFG-UHFFFAOYSA-N 397.599 4.943 0 40 GJAB Cn1ccnc1-c1nc(N[C@H]2CCc3ccccc32)ncc1-c1cccc(F)c1 57775472 LOTBDCFZFFDAFG-FQEVSTJZSA-N 385.446 4.783 0 40 GJAB CCn1c(-c2ccc(Cl)cc2)nn(CN(C)C(C2CC2)C2CC2)c1=S 58162850 BQJMNDQOMKGNSV-UHFFFAOYSA-N 376.957 4.832 0 40 GJAB CCOCCCn1c(SCc2ccc(C)c(C)c2)nc2ccccc2c1=O 67259155 RBTZHVYHILHWCG-UHFFFAOYSA-N 382.529 4.732 0 40 GJAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72214626 FXTKOHADCWJDNH-LJQANCHMSA-N 395.503 4.820 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@H]1C1CCCCC1 72273613 MTBDWXRKRMMROS-QFIPXVFZSA-N 394.563 4.862 0 40 GJAB CN(C(=O)Cc1ccc(NC(=O)N2CC(C)(C)C2(C)C)cc1)c1ccccc1 78988484 CGTWLZMUMVQZPS-UHFFFAOYSA-N 379.504 4.544 0 40 GJAB Fc1ccccc1-c1noc(-c2ncn3c2CO[C@H](c2ccccc2Cl)C3)n1 97077923 RGWYRSSVLKIILN-KRWDZBQOSA-N 396.809 4.664 0 40 GJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1sc2ccccc2c1Cl 102253241 BAUGPNHZCJAPMM-MBNYWOFBSA-N 379.909 4.652 0 40 GJAB COc1ccc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1OC 206992278 FHAPJXXOGLPIOT-IBGZPJMESA-N 391.920 4.678 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)COc1ccc(C)cc1 219338232 BAOWEJKOKDKBGI-GCJKJVERSA-N 377.484 4.889 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)ccc1Cl 219531686 HWTRAOSBWACTJI-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 224850086 VBUWLTSKSRDBPE-XMMPIXPASA-N 394.559 4.763 0 40 GJAB CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 224957071 DUDCYLMOBGFDIH-UHFFFAOYSA-N 394.707 4.871 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225738648 SEYDJNUIEGQQLF-AUSIDOKSSA-N 390.568 4.721 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1 226312000 JACJJAWLWMDRIC-UHFFFAOYSA-N 389.908 4.847 0 40 GJAB CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccc(C(=O)O)cc3)n2)CC1 257320357 VWLLWGHRJOKAFD-UHFFFAOYSA-N 382.460 4.561 0 40 GJAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1Cl 409061198 XWMQNCLVYUQPKU-YBEGLDIGSA-N 375.833 4.598 0 40 GJAB Cc1ccccc1OCCCn1cc(/C=C2\SC(=O)NC2=O)c2ccccc21 409148784 RRRYOLUNKSXCHV-MOSHPQCFSA-N 392.480 4.743 0 40 GJAB Cc1ccccc1CC(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615152665 BSHMCALSEPZRTI-XMMPIXPASA-N 380.507 4.727 0 40 GJAB CCOc1cc(Br)c(NC(=O)c2ccc(C)cc2)cc1OCC 634151 JITNRVUEZAFTDT-UHFFFAOYSA-N 378.266 4.807 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 843790 KHTNDSSAHWDSJF-JTQLQIEISA-N 383.662 4.638 0 40 GJAB COc1ccc2cc(C)c(SCC(=O)N3c4ccccc4C[C@H]3C)nc2c1 932975 GBWMTIDAZKNTLJ-OAHLLOKOSA-N 378.497 4.622 0 40 GJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(OCC)cc1 949027 MGFBWKLIDSCLNH-UHFFFAOYSA-N 380.444 4.953 0 40 GJAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 1058020 DJSAESLZQSCBQB-ZKKFKWFVSA-N 399.877 4.911 0 40 GJAB biogenic CCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccco1 1364390 SCHSFDAUWDAWRZ-UHFFFAOYSA-N 390.896 4.641 0 40 GJAB CCN(CC)C(=O)CSc1nc(C(C)C)nc2sc3c(c12)CCCC3 1378846 GZSNDMYZBKNQNZ-UHFFFAOYSA-N 377.579 4.654 0 40 GJAB COC(=O)COc1ccc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)cc1 2362402 KMDWWJSQQPSVDZ-UHFFFAOYSA-N 399.450 4.901 0 40 GJAB C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C1C2CC3CC(C2)CC1C3 2502137 BUIBFHAYTHTMFH-XJDHANQYSA-N 375.578 4.723 0 40 GJAB COc1ccc(-c2csc(NC(=O)Cc3c(F)cccc3Cl)n2)cc1 2628008 CJBFRSLTFMOIDG-UHFFFAOYSA-N 376.840 4.792 0 40 GJAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccccc2)o1 2646866 XQTQSGURIMEOOM-UHFFFAOYSA-N 381.501 4.656 0 40 GJAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nc2ccccc2[nH]1 3348540 MZFVLDSHJBUAOT-UHFFFAOYSA-N 378.457 4.712 0 40 GJAB CCc1ccc(Nc2nnc(SCC(=O)N(C)C3CCCCC3)s2)cc1 3461571 FLOUWDONEONZRT-UHFFFAOYSA-N 390.578 4.727 0 40 GJAB COc1cccc2cc(-c3cc(=O)oc4ccc(OC(=O)C5CC5)cc34)oc12 4586185 CYRKQMSPQJEKLS-UHFFFAOYSA-N 376.364 4.530 0 40 GJAB biogenic CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)cc1 4854296 IPJRBWTZZFPERU-NRFANRHFSA-N 379.435 4.663 0 40 GJAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Nc1ccc(Cl)cc1)c1ccccc1 4888266 RVENYJWMGCSIKR-IHWFROFDSA-N 397.906 4.687 0 40 GJAB CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)cc4)csc3n2)cc1 5146985 JXCPVQAMQNMFNK-UHFFFAOYSA-N 395.459 4.782 0 40 GJAB Nc1c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc2n1Cc1ccccc1 5208040 ZQDIBBJLOUSQMI-UHFFFAOYSA-N 390.450 4.758 0 40 GJAB COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1Cl 5216215 OEIJFUAVVLJDAF-ZEYPLWLESA-N 399.918 4.857 0 40 GJAB COc1cc(C(=S)N2CCCC2)cc(Cl)c1OCc1ccccc1F 6380908 ICVZXHAHRZYFAR-UHFFFAOYSA-N 379.884 4.838 0 40 GJAB Clc1cc(NCc2cccc(Br)c2)ccc1N1CCOCC1 6382842 DJLCPMSIXMCHDX-UHFFFAOYSA-N 381.701 4.551 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 6624876 KGEQTPILGJCRDL-UHFFFAOYSA-N 396.874 4.591 0 40 GJAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2C)cc1 6629690 DWIOXRIBLBGNBS-UHFFFAOYSA-N 399.560 4.757 0 40 GJAB O=C1CCc2cc(-c3csc(NC(=O)c4cc5ccccc5o4)n3)ccc2N1 7036885 MWSJSSDLIOVMOC-UHFFFAOYSA-N 389.436 4.693 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(NCc2ccco2)s1 7161870 NZROYEUHYLGEIY-LBPRGKRZSA-N 398.513 4.896 0 40 GJAB COc1ccc(CNCc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 7538570 TZGISFXGALIEMH-UHFFFAOYSA-N 377.484 4.881 0 40 GJAB COc1cc(SC)ccc1C(=O)NCc1ccc(-c2csc(C)n2)s1 7820595 DICUODGGVGXIIX-UHFFFAOYSA-N 390.555 4.841 0 40 GJAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 7881920 ZQQSIXSUFNELAO-ZDUSSCGKSA-N 377.271 4.547 0 40 GJAB Cc1ccc(C)c(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccco2)c1 9462366 SPYHPBBRODOKLU-UHFFFAOYSA-N 386.451 4.893 0 40 GJAB Cc1nc2cc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)ccc2o1 9836362 WEYIZPDLUSFVDY-UHFFFAOYSA-N 391.427 4.501 0 40 GJAB COc1ccc(C)cc1NC(=O)CSCc1ccc(F)cc1Br 11104785 PLLNQJPGNLOBML-UHFFFAOYSA-N 398.297 4.777 0 40 GJAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2nc3ccccc3s2)CC1 11915914 ZBWFWTRJEGAVFI-CQSZACIVSA-N 384.476 4.609 0 40 GJAB CSc1cccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1 12535763 LOGHBKVEGPOVCY-UHFFFAOYSA-N 379.510 4.966 0 40 GJAB CC(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 12536317 VUOKOCCYMMDVJZ-UHFFFAOYSA-N 394.496 4.863 0 40 GJAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](Cc3ncc[nH]3)c3ccccc3)o2)cc1 12549886 PLECVWDLMIKCIG-FQEVSTJZSA-N 399.450 4.586 0 40 GJAB Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)c3cnc(C)cn3)nc2c1 12778555 PAVIQGQWXXXDSV-UHFFFAOYSA-N 388.496 4.859 0 40 GJAB Cc1csc(N(C(=O)CCNC(=O)c2ccc(Cl)cc2)c2ccccc2)n1 14586540 MHLUAORXTVNDSC-UHFFFAOYSA-N 399.903 4.590 0 40 GJAB O=C(Nc1ccc(OC(=O)c2nc(Cl)ccc2Cl)cc1)c1ccccc1 15538446 XQGUVGKDLVQPNW-UHFFFAOYSA-N 387.222 4.860 0 40 GJAB Cc1ccc([C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCCC2)o1 15860261 JJVCGQNIWPDALU-JOCHJYFZSA-N 388.511 4.673 0 40 GJAB COc1cc(Br)c(CC(=O)Nc2ccc(C)cc2Cl)cc1OC 17337154 COVXOTMBKUTIHC-UHFFFAOYSA-N 398.684 4.609 0 40 GJAB COc1ccccc1-c1nnc(SCCC(C)=O)n1-c1ccc(Cl)cc1 18970432 KWUMHUWRSYWCGJ-UHFFFAOYSA-N 387.892 4.668 0 40 GJAB COc1cccc(CN[C@@H](Cc2cccs2)c2nc(C)c(C)s2)c1OC 19559640 SCMXKEIGKIMXCT-KRWDZBQOSA-N 388.558 4.912 0 40 GJAB COc1ccccc1CN1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 19574893 WLNPAAUNSGIRDR-RPVQJOFSSA-N 394.441 4.536 0 40 GJAB Cc1cc(C)c2cc(C(=O)N3CCC[C@H](c4nc5ccccc5n4C)C3)[nH]c2c1 19714641 PMFXKBHXYWESEW-KRWDZBQOSA-N 386.499 4.691 0 40 GJAB COc1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C 19736238 PVHISZDUDXEDHM-UHFFFAOYSA-N 384.520 4.890 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(CCc1ccc(Cl)cc1)CO2 20403887 FJAUTMSWDAKCHY-UHFFFAOYSA-N 395.886 4.638 0 40 GJAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 22324005 ZCKIVOKNRJSTMB-UHFFFAOYSA-N 380.444 4.699 0 40 GJAB CC(C)(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 23043425 VBNIIXMPXVQBJD-UHFFFAOYSA-N 388.393 4.836 0 40 GJAB CNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 24039375 KKOOFIXAYDOPHG-UHFFFAOYSA-N 381.435 4.514 0 40 GJAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(OC3CCCC3)c2)cc1 24505588 IUWCPGDILDTPJU-UHFFFAOYSA-N 397.471 4.627 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2nnc3sc4ccccc4n23)c(C)c1 27027716 QTSUUAXUHAQUSC-UHFFFAOYSA-N 382.514 4.600 0 40 GJAB O=C(N[C@H](Sc1nc2ccccc2o1)C(=O)c1cccs1)c1ccccc1 27061727 HZIAFEKGAMBPED-LJQANCHMSA-N 394.477 4.620 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3F)o2)n1 27980417 OOQCCSXVMDFSKT-UHFFFAOYSA-N 381.329 4.551 0 40 GJAB Cc1nc(SCc2nc(Cc3ccccc3)no2)c2c(C)c(C)sc2n1 31646448 VVWGFILWSKHHFT-UHFFFAOYSA-N 382.514 4.883 0 40 GJAB COc1ccccc1C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623048 VWTKJUDUAHUWOK-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB CC(=O)Nc1ccc(C(=O)CSc2nccn2-c2cccc(C)c2C)c(F)c1 32801656 UNNRNCQOYOSNPI-UHFFFAOYSA-N 397.475 4.562 0 40 GJAB O=C(/C=C/c1ccc2ccccc2n1)N1CCC(c2nc3ccccc3o2)CC1 32967054 PJVTVIAZJSYTPA-VAWYXSNFSA-N 383.451 4.795 0 40 GJAB Cc1cc(C)nc(SCC(=O)Nc2ccccc2CN(C)C2CCCCC2)n1 40057933 PNSBHVFDYWAOFT-UHFFFAOYSA-N 398.576 4.589 0 40 GJAB CCOc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccc(F)c3)cs2)cc1 40068089 RVRUAUUVJOJYJB-CQSZACIVSA-N 384.476 4.768 0 40 GJAB O=C(CSc1cc(N2CCCCC2)ncn1)Nc1cc(Cl)ccc1Cl 44112038 VMIUICUQJGXOQK-UHFFFAOYSA-N 397.331 4.505 0 40 GJAB O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@@H](c1ccccc1)c1ccccn1 48374720 KYVJXUYABHRJCS-VWLOTQADSA-N 381.479 4.915 0 40 GJAB CC1CCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2Cl)CC1 57315950 KBJHMRYFHYHKRA-UHFFFAOYSA-N 386.908 4.833 0 40 GJAB Cn1ccnc1-c1cnc(NCc2ccccc2F)nc1-c1ccc(Cl)cc1 57761983 YMRUYXICIZUEKC-UHFFFAOYSA-N 393.853 4.949 0 40 GJAB COc1ccc(CN(Cc2ccccc2)Cc2ccncc2)cc1Cn1cccn1 57797066 HPAYKFXUFDWCPC-UHFFFAOYSA-N 398.510 4.537 0 40 GJAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)sc21 58156996 QIKTVHHGRZTWKA-QGZVFWFLSA-N 381.501 4.541 0 40 GJAB Cc1nc2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCC3)cc2nc1C 61052875 SCOQRMDXIMPBEV-UHFFFAOYSA-N 380.879 4.753 0 40 GJAB COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3)n2)cc1 72357965 VVSWJQOVHRFKCE-DEOSSOPVSA-N 386.495 4.587 0 40 GJAB COc1ccccc1CC(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 95348888 GGYAVTVLIWSFKN-QFIPXVFZSA-N 375.468 4.543 0 40 GJAB O=C(Cc1cc(F)c(F)cc1F)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96231947 LWNURFSJDGMABW-GOSISDBHSA-N 392.808 4.975 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1C[C@H](C(C)(C)C(C)C)C[C@H](C)C1=O 102812046 JQRKTVYMLPNBDE-XGNBGGDFSA-N 388.504 4.829 0 40 GJAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)OC[C@H](N)CO 214702201 CKNOUMOYIGNOBN-SRNRTSRNSA-N 377.569 4.995 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)CC(C)(C)O2 219302892 OMGTULXROMLPEO-PXNSSMCTSA-N 397.515 4.806 0 40 GJAB COc1ccc(CCCNC(=O)CCc2cccc3ccccc23)cc1OC 222676905 ZDDKFABFKMASAY-UHFFFAOYSA-N 377.484 4.539 0 40 GJAB Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222768619 PFFZIEUTWRJJFT-HXUWFJFHSA-N 394.559 4.568 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 223196711 CSFRAPBCCRWLSY-GOSISDBHSA-N 397.500 4.627 0 40 GJAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(C)cc2)cc1C(C)C 223322583 VXBVOFZBFBMRLY-KRWDZBQOSA-N 375.534 4.616 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 224533401 QJAZGRUJADBKNS-QGZVFWFLSA-N 384.951 4.992 0 40 GJAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)C)c1 224556810 JSOFIFFHYHNMNJ-SFTDATJTSA-N 392.528 4.650 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCC(C)C)s1 224668021 XBFOVBKSOGWIJK-LBPRGKRZSA-N 385.942 4.736 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1C 225163451 WDUBLKCJSWEBTC-OAHLLOKOSA-N 384.501 4.667 0 40 GJAB CC1CCN(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 225435985 JMHXEHIPJZEKBM-UHFFFAOYSA-N 393.906 4.767 0 40 GJAB O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1ccc(F)cc1 226287716 ZVYOISOSIDHLPM-UHFFFAOYSA-N 380.806 4.892 0 40 GJAB Cc1ncoc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257338609 YYECEYVLVBRLGQ-QGZVFWFLSA-N 385.851 4.583 0 40 GJAB Cc1ccc(-c2ccc(OC(=O)c3cccc(Br)c3)nn2)cc1C 408529838 PDQCXJQPSJVWOI-UHFFFAOYSA-N 383.245 4.742 0 40 GJAB COC(=O)c1c(NC(=O)CSCc2ccc(C)cc2)sc2c1CCCC2 409132787 LSAYPUMWCCGVJP-UHFFFAOYSA-N 389.542 4.594 0 40 GJAB Cc1cc2c(cc1-c1ccnc3nc(-c4ccncc4)nn13)[C@@H](C)CC(C)(C)N2 575473146 IOGGSGQVTXRIBL-HNNXBMFYSA-N 384.487 4.859 0 40 GJAB Cn1ncc(C(F)(F)F)c1CN[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 623755967 OBFNBDLIMJABHY-OAHLLOKOSA-N 382.817 4.741 0 40 GJAB c1ccc(CSCc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 1501040023 XDXUFWAGYDMOBK-UHFFFAOYSA-N 377.498 4.768 0 40 GJAB O=S(=O)(Oc1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 1621419 WCZHJYJCMMUNDM-UHFFFAOYSA-N 389.270 4.884 0 40 GJAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3cccc(OC)c3)c12 2146206 NSODNHVDJPTSJC-UHFFFAOYSA-N 380.440 4.714 0 40 GJAB biogenic Cc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1 2306838 ZEWIQRGABUHJQP-UHFFFAOYSA-N 399.498 4.527 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)COc1ccccc1Cc1ccccc1 3356558 NFWICBUAFRYKGX-SFHVURJKSA-N 375.468 4.542 0 40 GJAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccccc1C(F)(F)F 4167267 PKFAEXVNUCUQEL-UHFFFAOYSA-N 395.431 4.955 0 40 GJAB O=C1N(Cc2cccc(Cl)c2)c2ccccc2S(=O)(=O)N1c1ccccc1 4315901 PDNXSAHLCJUDBH-UHFFFAOYSA-N 398.871 4.676 0 40 GJAB COc1ccc(NC(=O)CCCc2ccccc2)cc1NC(=O)c1ccco1 4384052 LZNMQTJKFHXJJJ-UHFFFAOYSA-N 378.428 4.502 0 40 GJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cc(Cl)ccc1Cl 4548623 WIWCKMGNJXGIJN-UHFFFAOYSA-N 398.246 4.913 0 40 GJAB O=Cc1cc(Br)cc(Br)c1OCc1ccc(F)cc1 4739239 AFKXPKANNXAUJM-UHFFFAOYSA-N 388.030 4.742 0 40 GJAB c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 5603176 PHMJPMIGDXMVJO-RDPSFJRHSA-N 384.435 4.700 0 40 GJAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2cc(F)ccc2F)s1 5623839 YCGWTLDQINRGTG-UHFFFAOYSA-N 392.456 4.599 0 40 GJAB Cc1ccc(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1C 5626008 NZQQNRDOFZECFH-UHFFFAOYSA-N 396.922 4.651 0 40 GJAB COc1ccc(CNc2nc3ccccc3c3nc(-c4ccccc4)nn23)cc1 6805397 QWHWLRPVDLNLQT-UHFFFAOYSA-N 381.439 4.565 0 40 GJAB CCOc1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1OC 7977284 XATKJMIRYSBVTI-UHFFFAOYSA-N 376.456 4.773 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2ccc(CC)cc2)cc1OC 8080888 JWJKPVXJHVJAFB-UHFFFAOYSA-N 378.266 4.671 0 40 GJAB CN(C)c1ccc([C@H](CNC(=O)Cc2ccccc2)c2c[nH]c3ccccc23)cc1 8192002 UOGAMPPUKFGOKL-QHCPKHFHSA-N 397.522 4.725 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1C 8264495 VLKUHBFOUSBCEH-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1C 8499702 JESPUNQCNSDRHM-IBGZPJMESA-N 377.937 4.855 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 8707147 HCGXHPQNHDNLAZ-HNNXBMFYSA-N 379.460 4.830 0 40 GJAB Cc1ccc2[nH]c(S[C@@H](C(=O)Nc3nccs3)c3ccccc3)nc2c1 8813099 WMBAVLYNIYGYFU-MRXNPFEDSA-N 380.498 4.800 0 40 GJAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O 8887411 KOLFEUDPYXYQBJ-OAQYLSRUSA-N 398.384 4.826 0 40 GJAB CCOCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)C(C)C 9060276 FMWZAVDUQZQZOB-UHFFFAOYSA-N 382.508 4.669 0 40 GJAB C[C@H](Cc1nnc(NC(=O)COc2ccc(Cl)cc2)s1)c1ccccc1 9095458 RJJXUHZNEQIKLZ-CYBMUJFWSA-N 387.892 4.555 0 40 GJAB COc1ccc(NC(=O)CCOc2cccc(Br)c2)cc1Cl 9504162 NSIVMJMLACDVNL-UHFFFAOYSA-N 384.657 4.519 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 10441887 MEUFBVMDBXLJRC-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB CCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 11466945 AAONFZMRNICNLZ-UHFFFAOYSA-N 393.462 4.931 0 40 GJAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)O2)CCC3 11867464 XLLRTUMTGDONEX-KRWDZBQOSA-N 380.827 4.950 0 40 GJAB CCCSc1nc2ccccc2n1CC(=O)Nc1cc(Cl)ccc1OC 12520437 VQVVOAIJMOYBAC-UHFFFAOYSA-N 389.908 4.839 0 40 GJAB Cc1ccc(OCc2nc(C(=O)N3CC=C(c4ccccc4)CC3)cs2)cc1 12877413 PDQHZXNPVBDEEV-UHFFFAOYSA-N 390.508 4.960 0 40 GJAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1Cl 12985425 IDAMLEKBRNLUEI-NSHDSACASA-N 377.271 4.833 0 40 GJAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 14095516 WCXVZCIDUNVTKV-QGZVFWFLSA-N 381.907 4.854 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14209206 GRAYOKGFVLPQAI-UHFFFAOYSA-N 399.853 4.805 0 40 GJAB Cc1cc(Br)ccc1SCC(=O)N[C@H]1CCc2ccccc21 16472411 OUHXSJDPASFVMS-INIZCTEOSA-N 376.319 4.653 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1Cl 20110268 GIKMNZWBGCISEE-ZDUSSCGKSA-N 377.893 4.944 0 40 GJAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 21636354 FLJGRAVTJWZDFS-UHFFFAOYSA-N 383.831 4.643 0 40 GJAB CCc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 22699196 MHBLODHMXTWVLH-UHFFFAOYSA-N 399.903 4.792 0 40 GJAB FC(F)(F)c1nc2ccccc2n1Cc1nnc(-c2ccccc2Cl)o1 23055649 IWWAHHCPADUCFD-UHFFFAOYSA-N 378.741 4.807 0 40 GJAB CN(Cc1ccc(Cl)s1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S 23841088 VJASNHRGRPNNDO-UHFFFAOYSA-N 391.953 4.615 0 40 GJAB Cc1c(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)oc2c(F)cccc12 25685660 FOEYKUHLPNJSGY-UHFFFAOYSA-N 392.883 4.553 0 40 GJAB O=c1cc(Cn2c(C(F)(F)F)nc3ccccc32)c2cc3c(cc2o1)CCC3 29300079 OVMVKTJXXMXVTR-UHFFFAOYSA-N 384.357 4.699 0 40 GJAB CC(C)c1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(Cl)cc1 36636049 LYTRYETUTADKSB-UHFFFAOYSA-N 375.259 4.950 0 40 GJAB Cc1ccc(CSCCNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 39768822 DVMWAAWXMPXKNQ-UHFFFAOYSA-N 396.600 4.565 0 40 GJAB Cc1[nH]c(SCC(=O)N2CCC[C@H]2c2ccccc2)nc1Cc1ccccc1 40039015 LRUHGFYKLYNJOF-NRFANRHFSA-N 391.540 4.765 0 40 GJAB Cc1ccc(CN2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 44918347 JUNJTDLZLGKMCA-JOCHJYFZSA-N 392.543 4.626 0 40 GJAB Cc1ccc2c(Nc3ccc(F)cc3)c(C(=O)N3CCCC[C@H]3C)cnc2n1 49005179 ORDJCJRZPWWOGE-OAHLLOKOSA-N 378.451 4.836 0 40 GJAB O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1C1CCCC1 67259433 SXCHFAZGMGFFEV-UHFFFAOYSA-N 380.469 4.533 0 40 GJAB CN(Cc1ccncc1)Cc1cc(-c2cccc(F)c2)cnc1-c1ccncc1 72343219 IEGBREPGTHUZNZ-UHFFFAOYSA-N 384.458 4.977 0 40 GJAB O=C(NCCSc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Cl)cc1 91695075 SLENXBHLDSEFGQ-UHFFFAOYSA-N 395.233 4.929 0 40 GJAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)cc1 95472448 VNUMOIOHNUTNGW-WMLDXEAASA-N 387.505 4.614 0 40 GJAB Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c2cnn(C)c2n1 95963544 QOWZTUNYLSPSDS-UHFFFAOYSA-N 397.891 4.614 0 40 GJAB Cc1ccc(-c2nc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)sc2C)c(C)c1 102342958 BRUNFBNOKYQHBL-ONIAQPFYSA-N 396.512 4.587 0 40 GJAB CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCCC[C@H]12 103134633 SDFWRNQJNYARMA-RBBKRZOGSA-N 379.891 4.664 0 40 GJAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 222929919 FJRFMOAGZMNIDB-YADHBBJMSA-N 390.556 4.809 0 40 GJAB CC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(OC)c(C)c1 223447004 PDWIFCJUSHSSBC-QFIPXVFZSA-N 398.522 4.622 0 40 GJAB COCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1Cl 225518527 JYBFQYFLABPEGH-UHFFFAOYSA-N 391.870 4.955 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 225526511 JLKGKSYDWQXJPG-NFBKMPQASA-N 394.559 4.568 0 40 GJAB Cn1cccc1CN(Cc1ccccc1)C(=O)c1ccc2nc(Cl)oc2c1 225982434 MOEKFPUOWKUNTN-UHFFFAOYSA-N 379.847 4.662 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C)CC2)on1 257319682 VTPIZYCPPZFJPB-DDBAPUKQSA-N 396.535 4.609 0 40 GJAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(F)cc3)C2=O)cc1 409329607 GDZMUUFHZLBTSS-WOJGMQOQSA-N 398.459 4.624 0 40 GJAB COc1ccc2cc(NC(=O)C[C@@H](c3ccsc3)n3cccc3)cnc2c1 524732312 KBCMTQBTVVGGJO-FQEVSTJZSA-N 377.469 4.725 0 40 GJAB Cc1csc(Nc2ccc(NC(=O)c3cc(C)n([C@H](C)C4CC4)n3)cc2)n1 538573573 MTWTWYPNGMXHAB-CQSZACIVSA-N 381.505 4.923 0 40 GJAB O=C(c1ccc(OC2CCCC2)cc1)N1CCC[C@]2(C1)OCc1ccccc12 681327419 CCBYULOBAPVLDQ-XMMPIXPASA-N 377.484 4.670 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)NCc4ccc(C)cc4)c(N)c3cc2C1 661948 HWILETZKNCITDK-AWEZNQCLSA-N 379.529 4.632 0 40 GJAB Cc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)NC4CC4)sc3n2)cc1 663409 XQHVJOLYULVCRC-UHFFFAOYSA-N 391.418 4.765 0 40 GJAB Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2cccc(C)c2C)s1 1342215 ZFKSOWLVJUXBAT-UHFFFAOYSA-N 384.545 4.769 0 40 GJAB Cc1cc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)no1 1376444 ZZZUBCPKFYJDFU-UHFFFAOYSA-N 382.489 4.705 0 40 GJAB O=C(Oc1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1)c1cccs1 1463819 SFBMMMMBQOBFPK-UHFFFAOYSA-N 389.388 4.882 0 40 GJAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3cccc(Cl)c3)ccc12 2092882 FIKAIHWPPMSIRV-UHFFFAOYSA-N 386.831 4.659 0 40 GJAB biogenic Brc1ccc(OCCSc2nnc(-c3ccccc3)o2)cc1 3378957 UDKGBSVFLXLXKL-UHFFFAOYSA-N 377.263 4.670 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1OCC 3452895 ZNEMFEJNLWEMKN-CYBMUJFWSA-N 381.394 4.994 0 40 GJAB CCN1C(=O)c2ccc(NC(=O)CCSc3ccccc3)c3cccc1c23 4167562 ATKMOKCNNHBVFW-UHFFFAOYSA-N 376.481 4.941 0 40 GJAB CCOC(=O)C1=C(NC(=O)c2ccccc2)c2ccccc2CC12CCCCC2 4413645 RGAMJXFTRJQHBD-UHFFFAOYSA-N 389.495 4.897 0 40 GJAB CC1CCN(c2ccc(-c3ccc(NC(=O)c4cccs4)cc3)nn2)CC1 5259452 WGMCYWDDCAUFFG-UHFFFAOYSA-N 378.501 4.694 0 40 GJAB O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)Nc1ccc2ccccc2c1 6509796 JCEIVBBFIHLDBT-FQEVSTJZSA-N 386.480 4.945 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)c1cn(-c2ccccc2)nc1-c1cccnc1 6579392 DRJJGCNYFHYKRI-QHCPKHFHSA-N 394.478 4.742 0 40 GJAB O=c1c2ccsc2nc(SCCOc2ccccc2F)n1-c1ccccc1 6907207 SWEGGZIYWQUFCG-UHFFFAOYSA-N 398.484 4.757 0 40 GJAB COc1ccccc1[C@H](CNC(=O)c1cccc(Oc2ccccc2)c1)N(C)C 7671199 ZZHUJUUNTJQZDR-QFIPXVFZSA-N 390.483 4.520 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1cccc(Cl)c1 8041398 SPXNKIFGCQIHIM-IBGZPJMESA-N 377.937 4.855 0 40 GJAB COc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)ccc1OCc1ccccc1 8161062 DTMOQFBRVRHVMC-PZJWPPBQSA-N 379.500 4.927 0 40 GJAB c1ccc(SCc2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 9486722 NQPQGLUAQHYDIP-UHFFFAOYSA-N 375.482 4.693 0 40 GJAB COc1ccc(SCCCC(=O)Nc2nc(-c3cccnc3)cs2)cc1 10217962 AIOLZBFDTKSLOE-UHFFFAOYSA-N 385.514 4.725 0 40 GJAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2cc3cccc(C)c3nc2C)n1 12201189 BFZPANPRJMOGTC-MRXNPFEDSA-N 386.455 4.701 0 40 GJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cc(Cl)ccc1C)O[C@H](C)C2 12765831 MNRLETKJCGJOSW-KGLIPLIRSA-N 388.895 4.810 0 40 GJAB O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(O)c1 18061173 MSMNYVHIMRGVNV-CJRSTVEYSA-N 395.458 4.635 0 40 GJAB Cc1ccsc1-c1nnc(C2CCN(Cc3cccc(F)c3F)CC2)o1 19238727 MMMIEJSQTTXUJL-UHFFFAOYSA-N 375.444 4.764 0 40 GJAB O=C(CSCc1cccc(Br)c1)NCCSc1ccccc1 20238261 UYSSYUFZWILZJR-UHFFFAOYSA-N 396.375 4.591 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 20454458 BRHXUJLIZLLKIM-KRWDZBQOSA-N 382.504 4.746 0 40 GJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20461643 PPOMFBVKELJNBL-GOSISDBHSA-N 394.515 4.671 0 40 GJAB Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)C(C)C)cc2s1 20894878 MIVDEMBUDOPREE-UHFFFAOYSA-N 399.541 4.930 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Sc1ccc(C)cc1 28189538 XKCIYKWKXHNNFM-CQSZACIVSA-N 387.530 4.636 0 40 GJAB O=C1S/C(=C\c2ccccc2)C(=O)N1CNc1ccccc1C(F)(F)F 35110619 CXWUIBGBSBCEKY-GDNBJRDFSA-N 378.375 4.811 0 40 GJAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)c1 36365449 BWVFQAGRWQMRNF-MRXNPFEDSA-N 383.835 4.667 0 40 GJAB O=C(c1ccc(I)cc1)c1ccc(Cl)c(Cl)c1 36941501 CNQAFPGAWSQBNP-UHFFFAOYSA-N 377.008 4.829 0 40 GJAB COc1ccc(-c2csc(-c3nnn(-c4cccc(Cl)c4C)c3N)n2)cc1 38486918 SKXNKOLUQVSCEE-UHFFFAOYSA-N 397.891 4.610 0 40 GJAB Cc1ccc(-c2nc(C(=O)N(C3=NCCS3)c3ccccc3)cs2)cc1 40157843 TYBFYUGHFHJZQC-UHFFFAOYSA-N 379.510 4.868 0 40 GJAB COc1ccc(CNCc2cccc(OCc3ccccc3)c2)c(OC)c1OC 47770602 FDPCNFYTYPTBJL-UHFFFAOYSA-N 393.483 4.581 0 40 GJAB CCc1ccc([C@H](NCC(=O)Nc2ccccc2OC)c2cccs2)cc1 57323159 GHIAOPYCVKUYAV-QFIPXVFZSA-N 380.513 4.637 0 40 GJAB Cc1noc(C)c1CCC(=O)Nc1ccc2c(c1)CCCN2Cc1ccccc1 58441310 TYVHVEMIKNUSOV-UHFFFAOYSA-N 389.499 4.816 0 40 GJAB CN(Cc1cccc(O)c1)C(=O)c1ccccc1OCc1ccccc1Cl 59885804 KSTOCBSSSFQVOD-UHFFFAOYSA-N 381.859 4.897 0 40 GJAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc2ccccc12 71980480 BVMPDNPWTJNLIB-QOALBKQRSA-N 395.499 4.698 0 40 GJAB CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214436 WPGFQKORVYTZDH-HNNXBMFYSA-N 377.485 4.525 0 40 GJAB O=C(c1nnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)N1CCCCCCC1 84383358 AMSSJBIKMLSFMV-UHFFFAOYSA-N 392.425 4.570 0 40 GJAB C[C@@H](CC(=O)c1ccccc1)NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 84636730 FKGBSCNBVSLEGU-GJZGRUSLSA-N 377.406 4.977 0 40 GJAB O=C(c1ccc(Cl)cc1)c1cc(-c2cccnc2)c(N2CCOCC2)s1 85430288 PEVKDZUNZRJNAR-UHFFFAOYSA-N 384.888 4.531 0 40 GJAB CCOc1cc(CO)c(Br)cc1OCc1c(F)cccc1Cl 95095073 HVXNOJOBJIVHHT-UHFFFAOYSA-N 389.648 4.712 0 40 GJAB Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3)sc2c1 102435636 PTTZGSPKOUXGIM-HZVDNRATSA-N 386.476 4.583 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 136532348 NJKXEIVVYMUTQY-GASCZTMLSA-N 396.874 4.580 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Br 218823670 SCTZUBVKSOXERT-UHFFFAOYSA-N 388.183 4.794 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219325235 BRBWWSOQYYKWJX-ROUUACIJSA-N 391.895 4.782 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219613466 ZNLGPVPIJYAXRQ-QZTJIDSGSA-N 391.895 4.782 0 40 GJAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)cc1C 222843983 SHCWMEVYDVFDCZ-FGZHOGPDSA-N 390.556 4.870 0 40 GJAB CC1CCN(Cc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)cc2)CC1 223213176 OAIYAQPQDSRXOR-IBGZPJMESA-N 376.544 4.898 0 40 GJAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 223585947 QRNFVXJLQGXSDU-HXUWFJFHSA-N 394.559 4.604 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 223860608 BEAOIXWMIOLTMI-CVEARBPZSA-N 385.504 4.646 0 40 GJAB CCOc1cc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)ccc1OC 224687195 RCTOSTSXOHPAHR-QGZVFWFLSA-N 385.504 4.609 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cc(C)ccc1C(C)C 225405328 TXCOOLAFCYOMFV-HXUWFJFHSA-N 397.515 4.924 0 40 GJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225826571 ADNPFDDKZJECAN-KSFYIVLOSA-N 393.524 4.965 0 40 GJAB CCc1cc(Br)cc(C)c1NC(=O)c1ccc(OC)c(OC)c1 226092451 KAIBCJRTNYKREC-UHFFFAOYSA-N 378.266 4.589 0 40 GJAB Cc1noc(C)c1C(=O)Nc1ccc(CC[C@@H]2CCN(C(C)C)C[C@H]2C)cc1 248009881 QOUXTAVDFMTSHT-OXQOHEQNSA-N 383.536 4.843 0 40 GJAB Cc1c(C(=O)NCc2nc(C3CCCCC3)cs2)cnn1-c1ccccc1 390832142 XQBDHQUVORXACD-UHFFFAOYSA-N 380.517 4.615 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 408557563 NUKVTBRCQBMPON-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c2ccccc21 409112380 FYLRLVQRNDKCDB-QNGOZBTKSA-N 399.446 4.871 0 40 GJAB O=C(CSCc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 409115003 JMDVOCGHRUWAJN-UHFFFAOYSA-N 395.355 4.575 0 40 GJAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1Cc1ccccc1 585266810 PWZCUHGNYYTBHA-HXUWFJFHSA-N 393.874 4.761 0 40 GJAB COc1ccc(CCN2CCC(c3cccc(Nc4nccs4)n3)CC2)cc1 2037834806 RLGZLRMWCDQFQJ-UHFFFAOYSA-N 394.544 4.712 0 40 GJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1 862990 HHNMOLLMQGWUJY-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCC1 900990 JJWFFRWHTYYLAQ-CYBMUJFWSA-N 395.450 4.656 0 40 GJAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1c(C)cccc1C)OCO3 929878 NFBUSLXGXQTYHN-UHFFFAOYSA-N 380.469 4.620 0 40 GJAB O=C1CN(C(=O)c2cccs2)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 1509682 BXTFNPVDWVSTJY-LJQANCHMSA-N 382.872 4.585 0 40 GJAB Clc1ccccc1-c1nnc2sc(-c3ccc(Br)o3)nn12 2263569 ZIELXTKUNKBKOK-UHFFFAOYSA-N 381.642 4.529 0 40 GJAB CC1(C)OC(=O)C(Cc2cccc(Cl)c2)(Cc2cccc(Cl)c2)C(=O)O1 2643684 VRRFGNDIOMDZQP-UHFFFAOYSA-N 393.266 4.601 0 40 GJAB C[C@@H](NC(=O)COC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 2647001 HORXYHQOCPEIIT-LJQANCHMSA-N 387.479 4.506 0 40 GJAB Cc1cccc(C)c1NC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2725359 QXSINTIYJXUBKP-KRWDZBQOSA-N 386.757 4.766 0 40 GJAB CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 3084902 IQCGCDGTIFUZAH-GOSISDBHSA-N 380.488 4.556 0 40 GJAB CCCCC(=O)NC(Nc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F 3145720 OQTQFEMQYCUZNN-UHFFFAOYSA-N 376.728 4.879 0 40 GJAB CC(=O)Oc1cccc(/C=C2\N=C(c3ccc(Oc4ccccc4)cc3)OC2=O)c1 3236561 GWAJFEUOCONMCK-JCMHNJIXSA-N 399.402 4.749 0 40 GJAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1cc(Cl)ccc1Cl 3348349 QTMJUIHTVLJAEW-QMMMGPOBSA-N 384.244 4.756 0 40 GJAB O=C(COc1cccc2cccnc12)Nc1ccc(Cl)cc1C(F)(F)F 3378418 OJVZNPXADJONFQ-UHFFFAOYSA-N 380.753 4.925 0 40 GJAB O=C(c1ccccc1F)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120467 AMNNIIWIUVKJPT-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB Sc1nnc(COc2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 4618707 DLXFYLZAZIEITG-UHFFFAOYSA-N 389.480 4.714 0 40 GJAB Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)no1 4705497 FCOFTEIMULPZFX-UHFFFAOYSA-N 390.468 4.567 0 40 GJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc2ccccc2oc1=O 4833098 JBMCBFJSRGUSEW-UHFFFAOYSA-N 382.828 4.822 0 40 GJAB CC(C)COC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 5021714 NNUQCEUDJITZKD-UHFFFAOYSA-N 394.862 4.622 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)o1)N(Cc1ccco1)C1=CCCCC1 5082066 WMUMQEKDGQDPBN-UHFFFAOYSA-N 395.484 4.908 0 40 GJAB O=c1c2cc(Br)ccc2nc(/C=C/c2ccco2)n1-c1ccccc1 5149354 IQAKUWKGBWGSGC-PKNBQFBNSA-N 393.240 4.912 0 40 GJAB C[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 5235441 ILYIPBDYXZTXCT-HWPZZCPQSA-N 377.669 4.992 0 40 GJAB C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1OC(F)F 5444365 DTSVTBJSZBBEQV-ZVBGSRNCSA-N 387.289 4.634 0 40 GJAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1nnc(-c2ccccc2)n1C 5786771 GSCFOBIGTCHCFF-CGTJXYLNSA-N 387.549 4.578 0 40 GJAB COc1ccc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1F 6009158 MHWBALSCLFUPOJ-UHFFFAOYSA-N 394.269 4.674 0 40 GJAB COC(=O)c1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 7504088 PSWHOTQGBHBAEB-HXUWFJFHSA-N 385.423 4.725 0 40 GJAB COc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1F 8499710 NYTPUTOFUXTWKJ-UHFFFAOYSA-N 384.643 4.595 0 40 GJAB C[C@H](O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 8714180 HQWNRHYQJCLZSR-AWEZNQCLSA-N 379.843 4.877 0 40 GJAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCCO2 9339109 OIBJAXRVEKOAPH-QMHKHESXSA-N 386.451 4.786 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)c(C)c1 10750731 ZGWKUKWLZOABSU-OAHLLOKOSA-N 385.895 4.523 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2OCCC)cc1 12062631 IJTNKWRBHUNQOW-UHFFFAOYSA-N 381.432 4.567 0 40 GJAB Fc1cccc(Nc2nnc(SCc3ccc(-n4cccn4)cc3)s2)c1 12569477 PBSNJCWJZNFJOF-UHFFFAOYSA-N 383.477 4.899 0 40 GJAB COC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)c(F)cc1F 12852233 DAFYCDHVQHCLDE-UHFFFAOYSA-N 383.350 4.796 0 40 GJAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc2c(c1)OCO2 16014179 RWMCQMRROZWCIS-UHFFFAOYSA-N 388.448 4.868 0 40 GJAB CCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 16693201 MCGMYIXMNHGXRQ-UHFFFAOYSA-N 390.418 4.519 0 40 GJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc2c(c1)CCCC2 17342381 WNLIMIXADUGKRC-UHFFFAOYSA-N 381.526 4.962 0 40 GJAB COc1ccc2c(c1)C(=O)N(Cc1ccccc1)C(=O)/C2=C/Nc1ccc(C)cc1 17994134 JWMIYNWFRBHJPY-HZHRSRAPSA-N 398.462 4.639 0 40 GJAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1)C1CCC1 19400629 YJEJBOYWILOFSN-DENIHFKCSA-N 397.950 4.605 0 40 GJAB O=C(CCSc1nc2cc(Cl)ccc2s1)Nc1ccc2c(c1)OCO2 19957125 FGFTWCYACMWQPJ-UHFFFAOYSA-N 392.889 4.799 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)c(C)c1 20110638 LCVCKCWUMUBCBF-QGZVFWFLSA-N 375.852 4.621 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20410972 IOKTZPUJXKHLJI-UHFFFAOYSA-N 377.425 4.702 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 20487312 UCKSIIGGFDTRRT-HXOBKFHXSA-N 393.483 4.590 0 40 GJAB COc1cccc(-c2nc3cc(NC(=O)COc4ccccc4C)ccc3o2)c1 21579412 XGJLHWKUIVUJIE-UHFFFAOYSA-N 388.423 4.829 0 40 GJAB CCCOc1cccc(C(=O)NCc2csc(-c3ccc(OC)cc3)n2)c1 21785873 WOJUAXXVLZHPLF-UHFFFAOYSA-N 382.485 4.538 0 40 GJAB Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)no2)cc1 21800585 SDGUPVQNRDVJCB-INIZCTEOSA-N 379.460 4.883 0 40 GJAB CCn1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(=O)c2cc(C)ccc21 22606022 UKDFESBFXUXSJX-SFHVURJKSA-N 376.500 4.746 0 40 GJAB COc1ccc([C@H]2CN[C@@]3(CC(=O)CC(C)(C)C3)c3[nH]c4ccccc4c32)cc1 25538865 GRPYXJAAELENBN-CJFMBICVSA-N 388.511 4.886 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ncc(Cl)cc1Cl 27977241 RADKBLJADNUOIG-UHFFFAOYSA-N 389.286 4.762 0 40 GJAB O=C(c1sc2ccccc2c1Cl)N1CCO[C@H](c2ccc(F)cc2)C1 29115137 IOHVMHXCZKAVCP-HNNXBMFYSA-N 375.852 4.908 0 40 GJAB CC(C)Oc1cccc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)c1 32074698 YCKFNSQJAZJFBN-UHFFFAOYSA-N 389.411 4.635 0 40 GJAB CN(C)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)(C)C)cc1 32622633 ZOAHOVUKAKWRON-GOSISDBHSA-N 397.544 4.733 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1 32998210 VSPJIGDCQDCISZ-UHFFFAOYSA-N 393.468 4.661 0 40 GJAB CCc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 33626883 GPMPMOAFJWQXGZ-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB COc1ccc(NC(=O)N[C@H](COc2ccccc2F)c2ccccc2)cc1 40119663 GPOKFLJYAMNTHZ-HXUWFJFHSA-N 380.419 4.776 0 40 GJAB O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc(F)cc2)CCOCC1 57202570 XNXRFCGIAHSPMQ-UHFFFAOYSA-N 383.463 4.834 0 40 GJAB COc1cc(COc2ccc(/C=C/C(=O)Nc3ccc(O)cc3)cc2)ccc1C 62715732 MLDMTKZHNQZSGJ-VGOFMYFVSA-N 389.451 4.940 0 40 GJAB CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N21 67192549 XIZOBAVCUZQZDL-QGZVFWFLSA-N 395.915 4.615 0 40 GJAB COCCn1ccc2c(NC(=O)CCn3ccc4cc(C)ccc43)cccc21 72324558 DHJNRCFEWLOFKZ-UHFFFAOYSA-N 375.472 4.580 0 40 GJAB biogenic CSc1ccccc1C(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200186 VGCPBKZPNDOCFH-DLBZAZTESA-N 384.501 4.698 0 40 GJAB CCc1noc(C2CCC(N[C@H](C)c3cccc(Br)c3)CC2)n1 95466817 PNEZGHSJRXWRBO-VEAWUBTESA-N 378.314 4.772 0 40 GJAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)cc1F 96062674 SEWDMZJOJQBISS-UHFFFAOYSA-N 399.429 4.612 0 40 GJAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)C1 96122480 IYFPHQXWGVBZHB-MRXNPFEDSA-N 379.287 4.861 0 40 GJAB O=C(Cn1ccnc1-c1ccccn1)Nc1cc(Cl)c(Cl)cc1Cl 108664421 SRGGUOUNDMDCIR-UHFFFAOYSA-N 381.650 4.544 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccccc1Cl 219060187 NOQMCIHJRWMFLC-CXAGYDPISA-N 389.879 4.535 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 222643234 CMVKNYGUWDZFJB-LJQANCHMSA-N 385.847 4.888 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1 223007002 JMFSGABICFJCEU-GOSISDBHSA-N 375.852 4.621 0 40 GJAB CCOc1ccc(C(=O)N2CCOCC2)cc1CSc1ccc(Cl)cc1 224677543 TZQLMIMWHUXQLP-UHFFFAOYSA-N 391.920 4.503 0 40 GJAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1 225583746 PALFNFCONDJDGR-UHFFFAOYSA-N 383.488 4.561 0 40 GJAB COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OCC(C)C 225675349 IAYXSKGIXYQCEX-UHFFFAOYSA-N 395.499 4.959 0 40 GJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225689154 PZOHHDVUJOBAQP-JOCHJYFZSA-N 378.557 4.577 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c1 225856086 SWYDJUIHBLZKRL-UHFFFAOYSA-N 382.529 4.846 0 40 GJAB CN(C)c1ccc(N)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 226324166 AHKIXQSUGBMYEM-UHFFFAOYSA-N 391.315 4.625 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1Cl 244324204 XKEJDKQBYUISQX-NSHDSACASA-N 397.689 4.947 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260814480 JJYISHUFBGRJHJ-WMZHIEFXSA-N 390.568 4.721 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccccc2)sc2c1CCC2 408564154 SBIKZQMNBBMSLU-LBPRGKRZSA-N 375.515 4.533 0 40 GJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)/C=C/c1ccccc1 408714301 NNNMZQUMUUODKV-XNTDXEJSSA-N 375.472 4.706 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 409134240 NIVJYTSNHGNKRU-CQSZACIVSA-N 390.936 4.845 0 40 GJAB Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 409383155 ZSHWXNAPMSCIFA-JOCHJYFZSA-N 392.480 4.615 0 40 GJAB Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(CC4CCCCC4)C[C@H]23)o1 585109711 KHVSPNIJPLEAOZ-QNWVGRARSA-N 378.516 4.668 0 40 GJAB C[S@](=O)Cc1ccccc1NC(=O)N1CC2(CCCC2)c2c(F)cccc21 585138619 OPIGOECOROYZPL-MHZLTWQESA-N 386.492 4.568 0 40 GJAB COc1cccc([C@H](CO)NC(=O)c2cc3sc4ccccc4c3s2)c1 678393681 PPBSSDNSIOJWFK-HNNXBMFYSA-N 383.494 4.588 0 40 GJAB Fc1ccccc1Oc1ccc(CN2CCCN(CC(F)F)CC2)cc1F 1522903221 KVMJKDMLLJZZMU-UHFFFAOYSA-N 382.401 4.530 0 40 GJAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)c(OC)c1 633145 BJYCGWASYKXGMZ-UHFFFAOYSA-N 399.450 4.809 0 40 GJAB CCOC(=O)c1c(Cl)nc(Cl)c(Cl)c1Nc1ccc2c(c1)OCO2 717764 RBQQVOXNFNVWJY-UHFFFAOYSA-N 389.622 4.691 0 40 GJAB O=C(Nc1ccc(Cl)cc1)c1cc(I)ccc1Cl 1086612 WIBZLNNHAVQXJB-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1 1452879 FSNJGYHCHFUMQJ-UHFFFAOYSA-N 389.886 4.711 0 40 GJAB aggregator COc1cc(OCc2ccccc2)c(OC(C)=O)c(OCc2ccccc2)c1 1670048 UDHSECSLPFZQDR-UHFFFAOYSA-N 378.424 4.779 0 40 GJAB CCOc1ccc2oc(C(=O)OCc3nnc(-c4ccccc4)o3)c(C)c2c1 3281257 KMBBQVQEBRXFKU-UHFFFAOYSA-N 378.384 4.547 0 40 GJAB Brc1ccc2c(c1)C(c1cccs1)=NNC(c1ccccc1)=N2 4168536 NEPGAPXTAPPUQB-UHFFFAOYSA-N 382.286 4.945 0 40 GJAB Cn1c(SCCOc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 4287028 GHSVBUVCWDSQAU-UHFFFAOYSA-N 380.300 4.960 0 40 GJAB CCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc(C3CCCCC3)cc1)C2=O 4308087 MCSSRVGDXIHGRE-UHFFFAOYSA-N 396.531 4.808 0 40 GJAB O=C(Nc1c(Cl)cccc1Cl)c1cc(-c2ccc3c(c2)OCO3)on1 4880957 WQPZVIINQXPLOO-UHFFFAOYSA-N 377.183 4.629 0 40 GJAB CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 5002930 QZNQTLPLRIJJML-MNRXQERYSA-N 397.302 4.743 0 40 GJAB CCc1noc(C)c1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 5167962 DTEKYGXRSJDRPS-UHFFFAOYSA-N 388.423 4.733 0 40 GJAB COc1cccc(CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 5574031 TYAWUCXOSWJFOR-UHFFFAOYSA-N 382.876 4.770 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 7002999 MIJCTSUAEDIICQ-HNNXBMFYSA-N 387.911 4.778 0 40 GJAB Cc1cccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(F)cc2F)c1C 7179601 RTNOMVDTQPQQJK-CQSZACIVSA-N 387.455 4.887 0 40 GJAB C[C@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 7554594 FDWYTTUXNGQTBD-BIVWETNQSA-N 398.311 4.877 0 40 GJAB O=C(Nc1nc(SC23CC4CC(CC(C4)C2)C3)ns1)c1cccs1 7871167 QTFYIUIEGTUWJX-UHFFFAOYSA-N 377.560 4.913 0 40 GJAB O=C(Nc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 8133558 XREUOPABBAIDIR-UHFFFAOYSA-N 381.745 4.584 0 40 GJAB C[C@H](Sc1nnc(NCc2ccco2)s1)c1nnc(-c2cccs2)o1 8328656 JYOOHIZHVMCSLF-VIFPVBQESA-N 391.503 4.708 0 40 GJAB CCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1ccco1)C3 10156940 MCWFOJOCAHOROC-ZDUSSCGKSA-N 392.846 4.513 0 40 GJAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 11443396 BAOIDISEUPKBHB-HNNXBMFYSA-N 393.512 4.509 0 40 GJAB O=C(O)/C=C/c1cc(Br)ccc1OCc1c(F)cccc1Cl 11824900 CMGVNLPMZCYZEZ-QPJJXVBHSA-N 385.616 4.918 0 40 GJAB O=C(/C=C/c1cccc(F)c1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12226423 VOKDWKOLKNNCFV-RUDMXATFSA-N 392.352 4.845 0 40 GJAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)C1 12796239 SJVYFGFPOHOFEG-NSHDSACASA-N 384.332 4.934 0 40 GJAB COc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)cc1OC(F)F 12800207 OJJDOJOMNHPRRC-RUDMXATFSA-N 398.203 4.711 0 40 GJAB CCn1ncc2c(C(=O)Nc3cccc(C(C)=O)c3)cc(-c3cccs3)nc21 12802122 WELXPXKJYCJYCC-UHFFFAOYSA-N 390.468 4.635 0 40 GJAB CCOc1cc(/C=C/C(=O)Nc2nccs2)ccc1OCc1ccccc1 14122443 VSAQYSBRSFGHFB-PKNBQFBNSA-N 380.469 4.773 0 40 GJAB Cc1nc(SCc2csc(-c3ccsc3)n2)c(C(N)=O)c(C)c1C 14250715 HZANQANNNAHESB-UHFFFAOYSA-N 375.544 4.583 0 40 GJAB Cc1ccccc1CSc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 15987387 KUNHIRUIZQOGCP-OAHLLOKOSA-N 377.510 4.892 0 40 GJAB CCCCc1ccc2nc(NC(=O)c3cc(=O)[nH]c4ccccc34)sc2c1 16044635 XXXAKHBVBPPBSB-UHFFFAOYSA-N 377.469 4.733 0 40 GJAB C[C@@]1(c2ccccc2)CC[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2C1 18244972 ZFUNSQLABWWPNS-DBXWQHBBSA-N 398.300 4.697 0 40 GJAB CCc1c(C(=O)N2CCC[C@@](O)(c3ccc(F)cc3)CC2)[nH]c2ccc(F)cc12 19521920 HILKCPZPPQESPK-QHCPKHFHSA-N 398.453 4.522 0 40 GJAB CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2Cc2ccc(F)cc2)n1 19690453 VKEBVCPKHRSTFR-OAQYLSRUSA-N 376.479 4.686 0 40 GJAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN2Cc2ccnn2C)n1 19691987 FEIJUCICJGXNKR-QFIPXVFZSA-N 380.923 4.705 0 40 GJAB CCn1cc(CN2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cn1 19692069 JZNDROSTICWIHV-HSZRJFAPSA-N 378.495 4.673 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 19932494 QCFOJYJSXZOUCF-HNNXBMFYSA-N 382.243 4.576 0 40 GJAB COc1cccc(CNCCc2ccccc2F)c1OCc1ccc(F)cc1 22074460 MJAAVJFVGVBFGH-UHFFFAOYSA-N 383.438 4.885 0 40 GJAB CCOc1cc(CN[C@H](C)[C@@H](O)c2ccccc2)ccc1OCc1cccs1 22076359 MTZMEPSUWXUKKI-UZUQRXQVSA-N 397.540 4.938 0 40 GJAB Cc1ccc([C@H](NS(=O)(=O)Cc2cccc(Cl)c2)c2ccccc2)cc1 22527963 XHDSRWGVCVAQBR-OAQYLSRUSA-N 385.916 4.857 0 40 GJAB CCc1cc2c(N3CCN(Cc4csc5ccccc45)CC3)ncnc2s1 24059953 OWPUYZCSKMOQCY-UHFFFAOYSA-N 394.569 4.791 0 40 GJAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 28220985 APRXISMYGKPMGE-VQTJNVASSA-N 379.891 4.944 0 40 GJAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1ccccc1Br 32102299 NYTWBSVDQUJCSZ-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)COc1ccc(Cl)cc1Cl 32841734 BFSNKQMUALMFGB-KRWDZBQOSA-N 381.303 4.855 0 40 GJAB Cn1cccc1[C@H]1CCCCCN1C(=O)COc1ccc(Cl)cc1Cl 32841735 BFSNKQMUALMFGB-QGZVFWFLSA-N 381.303 4.855 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(C)c3C)oc12 67293457 UOOULWNAIHKQMM-LCUIJRPUSA-N 399.450 4.938 0 40 GJAB COC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 67297391 QYHBWACTJMYDQW-RWEWTDSWSA-N 398.418 4.704 0 40 GJAB C[C@@H](NC(=O)CCc1cccc(Cl)c1Cl)c1nc(C2CCCC2)no1 72303706 BURRECBGMOIJOE-LLVKDONJSA-N 382.291 4.844 0 40 GJAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CC4(CCCCC4)C3)ccc21 96003911 VVFOHUNWAORSNM-NRFANRHFSA-N 375.468 4.547 0 40 GJAB CC(C)[C@@H](C)NC(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96154630 BFKSHMLIKIURCV-CQSZACIVSA-N 398.532 4.716 0 40 GJAB Cc1cc(C)cc(C[C@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@H]2C)c1 100168566 SOUKHRYZCIPMDY-KBXCAEBGSA-N 391.389 4.570 0 40 GJAB Fc1ccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3C2CCCCC2)cc1 100424400 PEFKMGWGCHBOKS-PMACEKPBSA-N 375.557 4.830 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccccc2)C[C@H](c2ccc(F)cc2)C1 102839366 OHVVHIFIVBDWOB-IFXJQAMLSA-N 376.391 4.838 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223279996 CHPCXKYONBXKHC-INIZCTEOSA-N 387.892 4.963 0 40 GJAB CCc1ccc(OCCNC(=O)c2ccccc2OCc2ccccc2)cc1 224274464 MRLOBGVPQQLORK-UHFFFAOYSA-N 375.468 4.637 0 40 GJAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224287968 FCYZCGRXDVYTIJ-QFIPXVFZSA-N 394.559 4.650 0 40 GJAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224439463 DYNURZRFJRRQDZ-UXHICEINSA-N 380.492 4.780 0 40 GJAB O=C(Nc1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)cc2F)CC1 225578896 VXSNSISKMVITIY-UHFFFAOYSA-N 382.813 4.608 0 40 GJAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cn1 225769734 ZLZVMLNROKYNAF-NRFANRHFSA-N 377.513 4.783 0 40 GJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(C(F)(F)F)cc1 225808565 AZPSSMGQRQBVLG-UHFFFAOYSA-N 395.768 4.980 0 40 GJAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)c1 257229606 FYSNXRNABUWYEY-JCNLHEQBSA-N 380.517 4.545 0 40 GJAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2)cc1 409097205 NETGDENIAQOOJV-UHFFFAOYSA-N 386.908 4.522 0 40 GJAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1Br 409108070 UWDGRJSGPRVTSE-GMROUXNLSA-N 384.295 4.683 0 40 GJAB COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc12 409238648 FECFTQRNNVMUEC-LDADJPATSA-N 378.815 4.599 0 40 GJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(Br)c2)cc1 678914 JOSAZGLIJNKFLD-UHFFFAOYSA-N 391.334 4.873 0 40 GJAB COc1cc(OC)c(NC(=O)COc2cc(C)ccc2C(C)C)cc1Cl 683134 ILNIIMWYTVHPNL-UHFFFAOYSA-N 377.868 4.807 0 40 GJAB CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 704423 MCTDXPDDZLFJHR-WTMJVXIESA-N 382.500 4.941 0 40 GJAB endogenous,in-man Cc1ccc(-n2nc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 722925 KGVMCUDOFWFFQK-UHFFFAOYSA-N 376.847 4.564 0 40 GJAB CCN(CC)C(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 783359 LZJCVXQOERSFFC-UHFFFAOYSA-N 391.949 4.972 0 40 GJAB CCc1ccc(Oc2coc3cc(OCC(=O)O[C@@H](C)CC)ccc3c2=O)cc1 957129 CYOMZJASBKDVDA-HNNXBMFYSA-N 396.439 4.868 0 40 GJAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccccc1Cc1ccccc1 2662159 UJNIXVMICIJEFH-UHFFFAOYSA-N 392.886 4.689 0 40 GJAB CCOc1ccc(-c2csc(NC(=O)c3cccs3)c2C(=O)OC)cc1 2889638 PLMLELDWYISWKH-UHFFFAOYSA-N 387.482 4.914 0 40 GJAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccc(F)c(F)c1 3230210 QVWLDCCGSCVYTL-UHFFFAOYSA-N 395.405 4.669 0 40 GJAB C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2ccccc21 3310740 WWJMMWMSZGIPDH-LJQANCHMSA-N 399.490 4.807 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2c(C)ccc3c2N[C@H]2Cc4ccccc4[C@H]32)cc1 4114308 DLDDWBXKFOARQU-LEWJYISDSA-N 391.492 4.553 0 40 GJAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1coc2ccccc2c1=O 4135543 RSJVUMNOFFACFS-UHFFFAOYSA-N 381.391 4.589 0 40 GJAB O=C(c1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 5265200 IJISDCOMAHSIDV-UHFFFAOYSA-N 381.407 4.817 0 40 GJAB CCOc1cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC 6207298 TXJQABWHEWYYRJ-UHFFFAOYSA-N 390.435 4.801 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](Nc1ccc2c(c1)OCO2)c1ccccc1 6284805 QBNAXQBCHOBNHB-QFIPXVFZSA-N 390.439 4.606 0 40 GJAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3)c12 7004120 IOHMCSFRWUBIRP-UHFFFAOYSA-N 386.430 4.998 0 40 GJAB CCn1c(-c2ccccc2)cnc1S[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 7125649 SSIIDKYCCIKQCF-INIZCTEOSA-N 393.512 4.892 0 40 GJAB COc1cccc(NC(=O)CSc2cc(C)c(Br)cc2C)c1 7782574 MCZVUDXRPZMHFI-UHFFFAOYSA-N 380.307 4.805 0 40 GJAB O=C(COc1ccc(Cl)cc1)N1CCc2sccc2[C@@H]1c1ccccc1 8115183 AALRITCPWBHBCJ-NRFANRHFSA-N 383.900 4.955 0 40 GJAB COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(CC4CCCCC4)C2)C3)cc1 8295026 OOUURVDPVINIPF-PZJWPPBQSA-N 392.543 4.523 0 40 GJAB biogenic,in-vitro Cc1ccc(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1C 8498503 LNGIJICLDGELDZ-HNNXBMFYSA-N 395.927 4.913 0 40 GJAB Cc1cc(C)cc(CN(C(=O)Nc2ccccc2)c2nnc3n2CCCCC3)c1 8549026 LJLQECQRDBDDPV-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccco1 8620539 BZDFVOKIVPRQIE-UHFFFAOYSA-N 397.287 4.596 0 40 GJAB COC(=O)c1ccc2nc(NC(=O)COc3cc(C)ccc3C(C)C)sc2c1 8904291 FQKDMUMZOVLBFG-UHFFFAOYSA-N 398.484 4.532 0 40 GJAB Cn1ncc(Cl)c1C(=O)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 12185255 NGLXCHWDXLWUEY-CQSZACIVSA-N 390.896 4.548 0 40 GJAB Cc1ccccc1C1(O)CCN(C(=O)c2[nH]c3c(Cl)cccc3c2C)CC1 12290326 RLTOFLKKJFFXOF-UHFFFAOYSA-N 382.891 4.562 0 40 GJAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)C(C)(C)C)cc1 12409406 RSLWENHRBTWKEX-UHFFFAOYSA-N 390.549 4.812 0 40 GJAB Cc1ccc(C)c(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 12440883 NBLPZOZIUHKWAP-UHFFFAOYSA-N 395.890 4.599 0 40 GJAB Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12627996 VJSSKXUVWRYTRX-FQEVSTJZSA-N 377.488 4.737 0 40 GJAB CCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)cc1 12770033 GDDTUPDHKIDGGP-UHFFFAOYSA-N 386.448 4.633 0 40 GJAB COc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1Cl 12786874 UQNJJXDRJMIOKH-LLVKDONJSA-N 384.259 4.725 0 40 GJAB CC(C)CN(C(=O)c1ccc(Br)o1)c1nc2ccccc2s1 12792460 CDBQOBATCLFDOI-UHFFFAOYSA-N 379.279 4.955 0 40 GJAB Cc1cc(C)c(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c(Cl)c1 12799159 NTMYAWGECWJEJZ-UHFFFAOYSA-N 395.890 4.645 0 40 GJAB Cc1cccc(-c2nn(CN(C)Cc3nc4ccccc4s3)c(=S)n2C)c1 12852753 XOOOCEOZFRZODE-UHFFFAOYSA-N 395.557 4.626 0 40 GJAB Cc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c(Cl)c1 12889785 RSGSKKNOCSFXAX-UHFFFAOYSA-N 395.890 4.727 0 40 GJAB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1c(Cl)cccc1Cl 12926653 CNPDWVWPVVXUQE-CYBMUJFWSA-N 376.330 4.753 0 40 GJAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(OCC)cc1 14651640 OPCUGOXRLIXJGS-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB O=C(CCCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1N1CCOCC1 14707995 IEBPOUPPQJRNMT-UHFFFAOYSA-N 397.906 4.619 0 40 GJAB O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CC[C@H](c3ccccc3)C[C@@H]12 16957224 RCHDAULJZFKSGX-LAUBAEHRSA-N 393.914 4.957 0 40 GJAB O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cccc2cccnc12 18235316 LRTGRFHXQMORGG-UHFFFAOYSA-N 389.358 4.995 0 40 GJAB COc1cccc(-c2cnc(N[C@@H]3CCc4ccccc43)nc2-c2nccn2C)c1 19291622 USKWBCFHMRCOHV-OAQYLSRUSA-N 397.482 4.652 0 40 GJAB CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 20458891 UHDTXZIEROMDOV-UHFFFAOYSA-N 397.496 4.745 0 40 GJAB COc1ccc(-n2nc(Nc3ccc(F)cc3)c3c2CC(C)(C)CC3=O)cc1 20797057 XWEZZXQMPOQSDA-UHFFFAOYSA-N 379.435 4.919 0 40 GJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 25535367 GZFSGYSYLPTUDA-UHFFFAOYSA-N 396.415 4.615 0 40 GJAB Cc1ccc(Cn2cc(Br)c(NC(=O)CCc3ccccc3)n2)cc1 27917063 IWJMGNGYZLWGGS-UHFFFAOYSA-N 398.304 4.574 0 40 GJAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCn2c1nc1ccccc12 29374733 GALUTCPQBOXMNZ-UHFFFAOYSA-N 397.356 4.976 0 40 GJAB Cc1ccccc1SCC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32505443 BJJVOYOGYMYMRP-UHFFFAOYSA-N 383.513 4.787 0 40 GJAB Cc1ccc(-c2cc(C(=O)NCc3csc(-c4ccccc4)n3)no2)cc1 32624409 VJMOUDCWXCAUAE-UHFFFAOYSA-N 375.453 4.704 0 40 GJAB c1ccc(-c2nc3sccn3c2CSc2nnc3n2CCCCC3)cc1 32671987 BQSYSTOBFLPCSG-UHFFFAOYSA-N 381.530 4.673 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(OC)c1 32820695 BVJVWSBEZQGSBT-KRWDZBQOSA-N 380.271 4.988 0 40 GJAB Cc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c(C)n1CC(F)(F)F 33214772 IUHIMAKHAMOMSZ-UHFFFAOYSA-N 377.366 4.938 0 40 GJAB COc1ccccc1CN(CCCn1ccnc1)Cc1ccnc2ccccc12 36740340 PLZVWFTWHXNZOW-UHFFFAOYSA-N 386.499 4.532 0 40 GJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2cccc(C(F)(F)F)c2)o1 36811154 WUCPKFYZMRYNLJ-UHFFFAOYSA-N 389.329 4.989 0 40 GJAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 40081011 MROGHNCIMQZDQX-IAGOWNOFSA-N 392.421 4.677 0 40 GJAB Cc1ccc(Cl)c(OC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)c1 40129189 SWJZRNZJBXENDW-UHFFFAOYSA-N 391.851 4.592 0 40 GJAB COc1ccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 44847508 HRRKUVDAIBMPJD-UHFFFAOYSA-N 386.495 4.578 0 40 GJAB COc1cccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc23)c1 49005389 ZSANDFKADQOMSB-HNNXBMFYSA-N 390.487 4.563 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364576 OQJXXPDSHAYYTH-INIZCTEOSA-N 394.858 4.507 0 40 GJAB C[C@@H](NCc1ccccc1F)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 58160539 ICKLUSBKSYFWTG-SECBINFHSA-N 375.658 4.903 0 40 GJAB O=C(N[C@@H]1COc2ccccc21)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 60587397 DKIYQUZFNBGUAN-QGZVFWFLSA-N 376.378 4.513 0 40 GJAB Cc1c(C(=O)Nc2cc(-c3ccncc3)n[nH]2)oc2cc(Br)ccc12 72255973 XWPANRWBIWOVEM-UHFFFAOYSA-N 397.232 4.541 0 40 GJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)[C@@H]3C[C@H]3C)cc2N1 72341405 OYPLQCHMGHNCQG-BDLOOMQFSA-N 398.473 4.536 0 40 GJAB C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)[C@H](O)c1c(F)cccc1Cl 89598477 ROALWYGWXDPPHW-WLRWDXFRSA-N 391.801 4.730 0 40 GJAB COC(=O)c1cc(C(=O)O)cc(-c2cc3c(n2Cc2ccccc2)CCCC3)c1 95951523 IYESNKCPYAORAC-UHFFFAOYSA-N 389.451 4.567 0 40 GJAB C[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(OC(C)(C)C)cc1 97143464 LUBZERGYXDEYDJ-VGOFRKELSA-N 396.531 4.832 0 40 GJAB C[C@@H](NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1)[C@H]1C[C@H]2CC[C@H]1C2 108850802 HUJBDQZODZRTGQ-BZDHPDOMSA-N 393.483 4.577 0 40 GJAB Cc1cc(NC(=O)N[C@H](C)C[C@H](O)c2cccs2)ccc1Oc1cccnc1 162601328 YMDKCVHAGYWIQU-QAPCUYQASA-N 397.500 4.878 0 40 GJAB CCc1nc(S/C(=C\c2ccc(OC(C)C)c3ccccc23)C(=O)O)n[nH]1 213402802 IRYJDJDFRDKFNL-BOPFTXTBSA-N 383.473 4.525 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)COc1ccccc1C 219348358 OTYYPFBTNGRWJP-AVRDEDQJSA-N 377.484 4.889 0 40 GJAB COc1ccccc1Oc1ccc(NC(=S)NCc2ccc(C)cc2)cn1 223945019 SLXKULYANVYIOT-UHFFFAOYSA-N 379.485 4.678 0 40 GJAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224256571 OTHXJMOWCIDACL-QFIPXVFZSA-N 394.559 4.650 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(C)cc1C 224457025 ANQJZXBHCLMHTQ-NRFANRHFSA-N 377.484 4.809 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1Cl 225461685 KJGSICGOKVVQCR-SFHVURJKSA-N 388.920 4.881 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)c(Cl)c1 408627968 OUZHNDAUQKERNG-UHFFFAOYSA-N 395.915 4.761 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(C)ccc3C)n2)cc1 408694640 LBYLNSZIIZUPGT-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB COc1ccc(C(=O)[C@@H](Cc2ccc(Cl)nc2)C(=O)c2ccccc2)cc1 408731785 NAIKSBNMOSOVPC-IBGZPJMESA-N 379.843 4.668 0 40 GJAB CCOc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc12 409098341 PNSIKFIBHWWLJC-XDHOZWIPSA-N 392.842 4.989 0 40 GJAB C[C@@H](Nc1cccc(-c2ncc3n2CCCC3)c1)c1ccc2c(c1)CCC(=O)N2 584699530 CDWHLVKYAGMKTF-MRXNPFEDSA-N 386.499 4.944 0 40 GJAB Fc1cc(F)cc(Oc2ccc(CNCc3n[nH]cc3Br)cc2)c1 606470478 WRVVHOCWUNRBEH-UHFFFAOYSA-N 394.219 4.533 0 40 GJAB O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)[C@H]1Cc2ccc(F)cc21 684479352 UEIPXJGLDHPREW-ROUUACIJSA-N 396.462 4.922 0 40 GJAB CCCc1ccc(OCc2ccc(C(=O)n3cc(Br)cn3)cc2)cc1 659235 TVVBBXIWTHTBNA-UHFFFAOYSA-N 399.288 4.866 0 40 GJAB Cc1cc(NC(=O)Nc2ccccc2)n(-c2ccc(OC(F)(F)Cl)cc2)n1 718999 JZTGWDFKSVKIMB-UHFFFAOYSA-N 392.793 4.993 0 40 GJAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC(C)(C)C 901094 OQXGFEHUCQHPEG-LLVKDONJSA-N 383.439 4.558 0 40 GJAB CCOC(=O)c1cc2cc(-c3coc4cc(OCC)ccc4c3=O)ccc2o1 2087157 HHDQNKZOROQVMC-UHFFFAOYSA-N 378.380 4.782 0 40 GJAB biogenic CCCCn1nc(NC(=O)c2ccccc2OC)c2cc3cc(C)ccc3nc21 2199365 UTVACAVPVQWYHO-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB COc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccc1F)nn3CC(C)C 2395382 RNRBCKIMGGTMRX-UHFFFAOYSA-N 392.434 4.641 0 40 GJAB Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)cc1 2419581 QAWKUYUDMPCBRB-QFIPXVFZSA-N 381.431 4.847 0 40 GJAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)N3CCCC3)nc2c1 2624556 HVRBGOUZRMBOQF-UHFFFAOYSA-N 378.497 4.625 0 40 GJAB CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1C 2721583 VVEJYYDEKIJFEB-QHCPKHFHSA-N 383.495 4.813 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)s2)c1 3316228 RDPPRCDIWUOYDW-AWEZNQCLSA-N 396.541 4.660 0 40 GJAB CN1CCC(N(C)C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1 3515805 OZDWXTJMMZOXTD-UHFFFAOYSA-N 393.918 4.721 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 4087842 FAAKDHOSDHTSMU-UHFFFAOYSA-N 392.911 4.967 0 40 GJAB CCOC(=O)C1=C(OCc2ccc(C(F)(F)F)cc2)[C@H]2C=C(C)C=C[C@H]2N=C1 4107056 FHBPWQXNCCKGMB-FUHWJXTLSA-N 391.389 4.625 0 40 GJAB COCCn1c(SC/C=C/c2ccccc2)nnc1-c1c[nH]c2ccccc12 4138642 CFEFXTAUEHKKMG-JXMROGBWSA-N 390.512 4.878 0 40 GJAB Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)cc1C 4305501 ZOTVQJCVNVOYPO-NRFANRHFSA-N 376.525 4.899 0 40 GJAB CCCCCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)cc1 4828391 KCDLKOQGOBKYMX-UHFFFAOYSA-N 399.472 4.823 0 40 GJAB O=C(CSc1[nH]c(-c2ccccc2)nc1-c1ccccc1)NCc1ccco1 4927670 HWGALFMDVRFAMX-UHFFFAOYSA-N 389.480 4.745 0 40 GJAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN(c2nc3ccccc3s2)C1 4967865 PXZWJHBAKNZZRQ-WMVQRKQLSA-N 395.572 4.598 0 40 GJAB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3nc2-c2ccccc2)C1 5021011 YQFRVYKJNATLIQ-INIZCTEOSA-N 377.513 4.647 0 40 GJAB CCc1nc(SCC(=O)Nc2cccc(OC)c2)c2oc3ccccc3c2n1 5501561 KGZZLKKBPDHHPQ-UHFFFAOYSA-N 393.468 4.678 0 40 GJAB CCC(CC)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(OC(C)C)cc1 5642616 QPSJAJKJWQSERD-SFHVURJKSA-N 389.521 4.512 0 40 GJAB CC(C)CCn1c(O)c(C(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc21 5689945 CIWHRPFYBJSJQK-UHFFFAOYSA-N 384.863 4.659 0 40 GJAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCc3ccco3)cc12 5825496 DCTBAHNDLZOGTD-UHFFFAOYSA-N 385.876 4.614 0 40 GJAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 7986802 DZMTVARERHAIQE-UHFFFAOYSA-N 399.450 4.622 0 40 GJAB COc1ccc(/C=C/C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 8755188 NSJOQNWGANVMIE-MDWZMJQESA-N 390.464 4.895 0 40 GJAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 9112558 PRYHUWDMHNJMPW-RUZDIDTESA-N 387.479 4.655 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1C 9160170 OYPHHJGHSBFUQN-UHFFFAOYSA-N 390.814 4.876 0 40 GJAB COc1cc(C(=O)O[C@H]2CCCCC2=O)ccc1OCc1ccc(Cl)cc1 9247460 KUJLDFYBXRVFNT-SFHVURJKSA-N 388.847 4.596 0 40 GJAB CCOc1ccc(-c2cnc(NCc3ccccc3OCC)n2CCOC)cc1 9720966 PNAXPADSDYAKLJ-UHFFFAOYSA-N 395.503 4.606 0 40 GJAB CC(C)[C@H](NC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccccc1 10261581 BSKZGBDWNRINHG-RXVVDRJESA-N 376.504 4.849 0 40 GJAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NOCc1ccccc1 10319360 GRORCSCSIIIHAP-UHFFFAOYSA-N 397.272 4.681 0 40 GJAB Cc1cccnc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 12734392 NBGYSFSNXDUJPC-UHFFFAOYSA-N 380.448 4.549 0 40 GJAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2Cl)cc1 12887694 VJNDGZDGUCXTSN-HNNXBMFYSA-N 386.300 4.528 0 40 GJAB O=c1[nH]c(CN2CCC[C@H]2c2nc3ccccc3s2)nc2ccc(Cl)cc12 12984116 BWGLAFPORYUDOD-INIZCTEOSA-N 396.903 4.523 0 40 GJAB CCOc1cccc(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)c1 13223626 GTUUFXDQPNSEPE-UHFFFAOYSA-N 383.451 4.626 0 40 GJAB CC(C)c1n[nH]c(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1 14016952 WKIAQKNJXFYVSA-NXEZZACHSA-N 387.336 4.593 0 40 GJAB CN(Cn1nc2n(c1=S)CCCCC2)C(c1ccccc1)c1ccccc1 14198065 BIIPSSKCWJPNMA-UHFFFAOYSA-N 378.545 4.819 0 40 GJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N[C@@H](CC(C)C)c2ccccc2)c1 14198854 WCOLQSBUANMVPL-IBGZPJMESA-N 394.544 4.820 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1SC[C@@H]1CCCO1 14246493 ODBPYJFYFOOYSP-HNNXBMFYSA-N 398.553 4.840 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)cc1 15838805 XVNSTJUYVUVADZ-UHFFFAOYSA-N 393.439 4.580 0 40 GJAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1OC 20460134 LNZXEAXWKYITIL-CVEARBPZSA-N 379.456 4.502 0 40 GJAB CCCc1nnc2sc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nn12 20609725 LHDMKVNSSRXSTE-UHFFFAOYSA-N 397.891 4.711 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(NC(=O)C2CC2)c1 21066501 XRDHFDBUQYHTKV-UHFFFAOYSA-N 398.506 4.874 0 40 GJAB Cc1ccc(N2C(=O)N(Cc3cc4ccccc4nc3Cl)C(=O)[C@@H]2C)cc1 21235870 DKDADIZBFXVFGU-AWEZNQCLSA-N 379.847 4.554 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc(Br)c1 21577779 YIGUSZMWAYKDSN-UHFFFAOYSA-N 377.257 4.831 0 40 GJAB COc1ccccc1NC(=O)c1cccnc1Nc1cccc(Br)c1 22072162 GEJQOVMCRDPKPB-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB COc1ccccc1CNC(=O)c1cccc(OCc2ccccc2Cl)c1 22258251 CHDAFSLRQKPGAH-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB C[C@@H](c1nc2scc(-c3cccs3)c2c(=O)[nH]1)N1CCc2ccccc2C1 23909385 QXPJDRALLALXBY-ZDUSSCGKSA-N 393.537 4.832 0 40 GJAB Fc1ccc(-c2noc(CN3CCC[C@H](c4nc5ccccc5s4)C3)n2)cc1 23989551 NJHWPLJIOHDJMX-HNNXBMFYSA-N 394.475 4.865 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccc2ccccc2c1 24000021 ISESWLWYWYYHEF-DEOSSOPVSA-N 396.490 4.962 0 40 GJAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(CC)cc1)N1CCCCC1 28293436 OYPFWDJCTRCHEP-QHCPKHFHSA-N 394.559 4.995 0 40 GJAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3cccs3)c3ccccc23)cc1C 28535470 RLDRCIUZYPADDL-UHFFFAOYSA-N 389.480 4.843 0 40 GJAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(OC)c3ccccc23)c1 32738203 NUIWHSRRQBRDEQ-UHFFFAOYSA-N 376.456 4.583 0 40 GJAB COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2ccc(F)cc2)cc1 36247928 OYDQTFFCIHJVTE-UHFFFAOYSA-N 385.460 4.538 0 40 GJAB CCOc1ccccc1NC(=O)N1CCC(Cn2c(C)nc3ccccc32)CC1 38536090 VTIGDBZTRYJPBO-UHFFFAOYSA-N 392.503 4.688 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)c(OC)c1 39969207 AOYGQZYZOUOXDN-UHFFFAOYSA-N 382.504 4.721 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCc4c([nH]c5ccccc45)[C@H]3C)c12 40155220 GVQDQWFLMVEXCE-CYBMUJFWSA-N 386.455 4.649 0 40 GJAB CCOC(=O)CSc1ncc(-c2ccc(OC)cc2)n1-c1ccccc1C 44086732 IHMABRBVJJADEN-UHFFFAOYSA-N 382.485 4.512 0 40 GJAB COc1ccc(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C)cc1OC(F)F 58195738 ABLAEQKJPZHGEN-GOSISDBHSA-N 392.446 4.883 0 40 GJAB CCN(CC)CCn1ccc2cc(NC(=O)Nc3ccc(F)cc3F)ccc21 58243954 UGQVOOUZBSDUKA-UHFFFAOYSA-N 386.446 4.905 0 40 GJAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)n2)n1 72375289 RCHXVRIDKHWILX-SFHVURJKSA-N 396.491 4.635 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)c2ccccc12 72414279 SMOVQJMSXDTOEV-UHFFFAOYSA-N 378.453 4.588 0 40 GJAB Cc1nc(CNC(=O)[C@@H](C)Oc2cccc(F)c2)oc1-c1ccc(Cl)cc1 79074003 PWDPJXJHQUUYMY-CYBMUJFWSA-N 388.826 4.526 0 40 GJAB CCc1ccc2nc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccco3)sc2c1 83825562 AMWSLYMSSOCWRQ-GOEBONIOSA-N 385.489 4.572 0 40 GJAB Cc1ccnn1-c1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 84250990 ZBWSPIUPUKWKET-UHFFFAOYSA-N 388.402 4.759 0 40 GJAB CSc1ccccc1C(=O)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 90613800 XNUWISBSLTUNRZ-INIZCTEOSA-N 382.312 4.929 0 40 GJAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc(Cl)s3)nnc12 100477096 BLXMCHKTMDDUJD-VVVCHXIZSA-N 379.938 4.736 0 40 GJAB CCCc1ccc(-c2nc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)sc2C)cc1 102343008 ZLHNHDHHBZTYSM-XSLAGTTESA-N 396.512 4.532 0 40 GJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224691731 JWBUHPSBDXZXJX-LBPRGKRZSA-N 387.892 4.827 0 40 GJAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC[C@@H]3CCCO3)c2)cc1 225319130 PCCNLQSUVNXJJJ-FQEVSTJZSA-N 396.556 4.681 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCCC1 225655084 TVRFQLBLQDJVKS-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cccc(C(F)(F)F)c1 240068136 SJNGKGUFCYQTLE-UHFFFAOYSA-N 389.402 4.927 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1nccs1 260775152 PNMUDKSBEINCEP-JEBQAFNWSA-N 395.557 4.535 0 40 GJAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@@H]1CCSC1 608160293 JDABXMGORHOPGG-MRXNPFEDSA-N 386.467 4.667 0 40 GJAB C[C@]1(Cc2ccccc2F)CCCN1CC(=O)Nc1ccc(F)c(Cl)c1 1654837820 LHJUVFFFBNHZEH-HXUWFJFHSA-N 378.850 4.654 0 40 GJAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2cccc(Cl)c2)nn1 1775975660 LSSOZVCZECCIPZ-SJPCQFCGSA-N 387.915 4.629 0 40 GJAB CC(C)OC(=O)N[C@@]1(C(Cl)(Cl)Cl)Oc2ccc(C(C)(C)C)cc2O1 1050507 IUSSKQVJQYBPNP-INIZCTEOSA-N 396.698 4.914 0 40 GJAB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1792269 GDSPDHMSSYFSGQ-UHFFFAOYSA-N 396.531 4.735 0 40 GJAB COc1ccc([C@@H](CCNS(=O)(=O)c2ccc(C)cc2)CCC(C)C)cc1 2446709 PAOQGPOHZGHDOL-HXUWFJFHSA-N 389.561 4.892 0 40 GJAB CC[C@@H](C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1 4062235 WRQQONOQAKKASU-CQSZACIVSA-N 396.541 4.583 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1 4543546 JMZDGVCFOGSOQQ-KPKJPENVSA-N 376.412 4.501 0 40 GJAB O=C(Nc1ccc(F)cc1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 4887934 LORWTYLDWLFQRZ-SEJPIABJSA-N 385.458 4.672 0 40 GJAB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)N(c2ccccc2)C3=O)cc1 4889049 LHBFUCKFXVFDJI-HSZRJFAPSA-N 381.435 4.835 0 40 GJAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)NC1CCCCC1 5269714 DTXUCZRWXZNVQM-UHFFFAOYSA-N 393.556 4.820 0 40 GJAB COc1ccc(-c2n[nH]c(SCc3cccc(Br)c3)n2)cc1 6171296 BAEWCPUQLJJWEF-UHFFFAOYSA-N 376.279 4.535 0 40 GJAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NC1CCCCC1 6648403 KYLHVZVSZLVFSI-UHFFFAOYSA-N 395.503 4.977 0 40 GJAB O=C(Nc1ccccc1F)C(=Cc1cccs1)C(=O)Nc1ccccc1F 7752110 IANTZCQXXVBGQN-UHFFFAOYSA-N 384.407 4.687 0 40 GJAB O=C(N[C@@H]1CCSc2ccccc21)c1cc(C2CC2)nn1-c1ccccc1 7987961 BMFDYDDMEIPSMD-GOSISDBHSA-N 375.497 4.717 0 40 GJAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cccc(Cl)c1 8287481 FMBOLUYMWDZJIR-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc4c3O[C@H](C)[C@@H]4C)o2)cc1 8484557 NEGOAZFXMXXYHU-MJBXVCDLSA-N 394.427 4.548 0 40 GJAB Cc1nn(C)c2sc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc12 12621470 QWTWHOHEKDRDMY-IBGZPJMESA-N 375.497 4.657 0 40 GJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccccc3)cc2)o1 12764695 KFRZSAIZHAXMPP-UHFFFAOYSA-N 383.451 4.984 0 40 GJAB COc1cccc(N2C[C@H](C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2=O)c1 12848634 JMLVQOLUCVOTIE-QGZVFWFLSA-N 394.515 4.934 0 40 GJAB O=C(/C=C/c1c(F)cccc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12921810 CKLNOONUUMDEKT-PDFOZTTASA-N 387.838 4.627 0 40 GJAB CC(C)Cc1cc(-c2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn23)n[nH]1 13689721 VTEPEJUEZOUANQ-UHFFFAOYSA-N 393.303 4.748 0 40 GJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14242364 LPPJBDHKUWVKPJ-SFHVURJKSA-N 393.414 4.834 0 40 GJAB CCCOc1c(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cccc1OC 19503804 SDKFYORYJCSWFG-SFHVURJKSA-N 379.504 4.740 0 40 GJAB CCCn1c(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)nc2ccccc21 19526020 NXAJSIIYCPTMME-UHFFFAOYSA-N 388.397 4.657 0 40 GJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cn(C)nc3C)on2)cc1 19583843 IRGQQARKYWSAIN-OAQYLSRUSA-N 380.492 4.509 0 40 GJAB CC[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(OC)cc1 20039771 ZOUSLZORCAEKPO-KRWDZBQOSA-N 388.316 4.573 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1Cl 20112084 OGKASQUSMNJXOI-GOSISDBHSA-N 389.879 4.930 0 40 GJAB O=C(CCCc1cn(CN2CCCCC2)c2ccccc12)N1CCCCCC1 20647069 JVSBNOGAFDPEHE-UHFFFAOYSA-N 381.564 4.810 0 40 GJAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(C(C)C)cc1 21595653 HDXNIEOGLAKTPU-UHFFFAOYSA-N 392.455 4.981 0 40 GJAB Cc1ccc(C(=O)C2CCN(C(=O)Cn3c(C)cc4ccccc43)CC2)c(C)c1 24453972 YKJDXSQXHUVNAY-UHFFFAOYSA-N 388.511 4.688 0 40 GJAB Cc1c(C(=O)COC(=O)c2csc(-c3ccsc3)n2)oc2ccccc12 25187213 DRKDLJZVWIAERL-UHFFFAOYSA-N 383.450 4.966 0 40 GJAB CCOc1ccc(-c2nonc2NC(=O)Cc2cccc3ccccc23)cc1C 27746586 OJWUPPBUGAWMBZ-UHFFFAOYSA-N 387.439 4.778 0 40 GJAB Cc1cccc(-c2nc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)no2)c1 28404663 HFSNEIYLNHOYDK-CQSZACIVSA-N 385.851 4.721 0 40 GJAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C1 29516060 LAUJWEGEZMMNAH-IRXDYDNUSA-N 379.529 4.745 0 40 GJAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967643 RPDMCHLARWDEJX-UHFFFAOYSA-N 397.759 4.865 0 40 GJAB COc1ccccc1-c1nc(-c2cccc(NC(=O)c3cccs3)c2)no1 32647469 DTYZDYLKUAZYKD-UHFFFAOYSA-N 377.425 4.726 0 40 GJAB Cc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c(C)n1Cc1cccs1 40017154 HATUCVHKNZNVEP-UHFFFAOYSA-N 393.516 4.793 0 40 GJAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(C(C)(C)C)cc2)cs1 40128265 VLUZWZHBPBPKJC-UHFFFAOYSA-N 397.500 4.776 0 40 GJAB COc1ccc(CSCC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 44840526 FHOIGEUXAKUANF-OAQYLSRUSA-N 387.545 4.841 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(OC)cc1 44902515 UFEWHDWKYLGEFJ-QHCPKHFHSA-N 377.484 4.755 0 40 GJAB Cc1noc(C)c1CN(C)C(=O)C1(c2ccc(Br)cc2)CCCC1 47643961 OWSUOENIVDEPTJ-UHFFFAOYSA-N 391.309 4.524 0 40 GJAB O=C(c1ccc(Br)cc1)N1CCC[C@@H](COCc2ccccc2)C1 49031495 ONKFBOMRAICSMB-QGZVFWFLSA-N 388.305 4.518 0 40 GJAB Cc1cccc2sc(OC3CCN(C(=O)Nc4ccccc4F)CC3)nc12 49442949 LWQQYVLDODKNLU-UHFFFAOYSA-N 385.464 4.819 0 40 GJAB COc1cccc2ccn(CCC(=O)N3CCC(Cc4ccccc4)CC3)c12 61719199 JPKHFTFDMYYQDG-UHFFFAOYSA-N 376.500 4.521 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(-c2cccc(Cl)c2)no1 66089038 QCFLJFYDLVRAKL-UHFFFAOYSA-N 380.753 4.944 0 40 GJAB COc1ccc(OC)c(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)c1 67339991 PTTVLWLPEOXDAY-FNORWQNLSA-N 387.819 4.764 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1c(Cl)nc2ccccn12 69420316 QAIVQFBFAMEQAJ-VQHVLOKHSA-N 380.300 4.765 0 40 GJAB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1OCC 95534597 OHZIIULLQBYFAF-HXUWFJFHSA-N 394.519 4.615 0 40 GJAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)c1ccccc1C(F)(F)F 96104081 FQDMLIDJPWKQCH-UHFFFAOYSA-N 377.410 4.824 0 40 GJAB CSc1ccc(/C=C/C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 96120145 NPKVHTKGJVMHQY-UKTHLTGXSA-N 380.513 4.886 0 40 GJAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 96625793 PKRQHETWMNFCRA-UHFFFAOYSA-N 397.950 4.791 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(OC(C)C)cc2)cc(C)c1Br 218837801 IALGVJWYNSZNSK-UHFFFAOYSA-N 392.293 4.871 0 40 GJAB Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CCS1 219267133 DUCPXFKSRUBSDR-JOCHJYFZSA-N 391.540 4.560 0 40 GJAB Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(Br)o2)CCS1 219280493 RPBLJAUHKJCZAE-OAHLLOKOSA-N 380.307 4.671 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 222851580 NTAIFFFNMNZWPL-CQSZACIVSA-N 375.852 4.540 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1C1CCCC1 225021796 CXGPATVMHPDODX-FCHUYYIVSA-N 388.540 4.787 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 225202829 KHLARHYPGKUODA-NRFANRHFSA-N 381.472 4.538 0 40 GJAB FC(F)(F)c1ccccc1Cc1cccc([C@@H]2CN(c3cccnc3)CCO2)n1 257291572 QHOYHFCXAAVUIR-NRFANRHFSA-N 399.416 4.664 0 40 GJAB CCOc1cc(/C=C/C(=O)Nc2ccc(Br)cc2F)ccc1OC 301218965 WAACYBXXDTZBIU-WEVVVXLNSA-N 394.240 4.647 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2c(CC)cccc2CC)C1 408639330 FQSNIWJUIDINSF-NRFANRHFSA-N 392.543 4.928 0 40 GJAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1Cl)Nc1ccccc1 409253084 YPPNGRRFFSQOEX-UHFFFAOYSA-N 388.920 4.519 0 40 GJAB CSCC[C@@H](C(=O)NCc1cccc(-c2nc(C)cs2)c1)n1cccc1 575444040 VBLWZDWOUKVTEO-SFHVURJKSA-N 385.558 4.531 0 40 GJAB Cc1cc([C@H](C)NC(=O)c2cnn(-c3ccccc3C)c2C(F)(F)F)c(C)o1 1251316111 KMSMHRHZFXIMKO-ZDUSSCGKSA-N 391.393 4.900 0 40 GJAB O=C1[C@@H](Oc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 717748 UCYKFZZLWMXGLP-SFTDATJTSA-N 393.826 4.604 0 40 GJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(CC)cc3)c2c1 952890 JPVSEJGGQSAJDK-UHFFFAOYSA-N 392.455 4.894 0 40 GJAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(OC)c(OC)c1 954337 NXWAEGJPMHPOLT-UHFFFAOYSA-N 386.835 4.826 0 40 GJAB Cc1cccc(C(=O)N[C@@H](Sc2ccccn2)C(Cl)(Cl)Cl)c1 971186 KUABAPDGPWZWKU-AWEZNQCLSA-N 375.708 4.608 0 40 GJAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(Cl)cc1Cl)CC2 1037997 PNAIXJPNAVCLSY-LLVKDONJSA-N 380.271 4.770 0 40 GJAB biogenic O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 1362847 SYOVHAWDOLJOAN-UHFFFAOYSA-N 381.495 4.671 0 40 GJAB CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCC)c(OCC)c2)cc1 1780302 QPNSWWRPWVXTNO-RIYZIHGNSA-N 397.471 4.703 0 40 GJAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1 2398495 UMTHLOUFNYJJTQ-CLOONOSVSA-N 381.840 4.673 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc(F)cc1 2654345 JTFPXGCGJMWSBU-UHFFFAOYSA-N 378.234 4.938 0 40 GJAB CCOC(=O)c1cc(-c2cc(F)c(Cl)cc2Cl)nc2c1c(C)nn2C 2661442 KQIRUQJTFRLOKG-UHFFFAOYSA-N 382.222 4.566 0 40 GJAB O=C(/C=C/c1c(Cl)nc2sccn12)NC(c1ccccc1)c1ccccc1 3328108 OKJNOZGEKQIQHK-VAWYXSNFSA-N 393.899 4.968 0 40 GJAB O=C(NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccc(Cl)cc1 4315796 FNZWJKKDJUXETC-UHFFFAOYSA-N 392.311 4.906 0 40 GJAB CC1=C(C)C[C@@H](C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)[C@H](C(=O)O)C1 4651456 DKBMKSLNFMHPCW-HUUCEWRRSA-N 390.892 4.849 0 40 GJAB Cc1cccc(C)c1NC(=O)N1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2 4888193 BDINZIPLHOMKDR-SEJPIABJSA-N 391.515 4.651 0 40 GJAB CCOc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(Cl)c1OCC 5463647 OPQVENQZJPNHBI-YBEGLDIGSA-N 389.810 4.621 0 40 GJAB Cc1cc2oc(=O)cc(C)c2cc1OCc1nnc(Nc2ccccc2)s1 6275861 WUVYQBLBQLSUBX-UHFFFAOYSA-N 379.441 4.584 0 40 GJAB Cc1ccc2cc(COC(=O)C34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)c(Cl)nc2c1C 7293596 LSVBLVFRZCLGBG-IWENEADUSA-N 399.918 4.880 0 40 GJAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1cccs1 7789810 KJTQGYWOQKVTJT-UHFFFAOYSA-N 380.498 4.798 0 40 GJAB O=C(CNc1cccc(F)c1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 7971927 BCMDFOXXFAYLHE-IBGZPJMESA-N 397.837 4.862 0 40 GJAB COc1ccc2cc([C@@H](C)C(=O)Nc3cc(NC(C)=O)ccc3OC)ccc2c1 7986520 TTYUVIDXNFKTEN-CQSZACIVSA-N 392.455 4.558 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNC2CCC(O)CC2)cc1C 8403765 YXWAKSMRCJVWHW-UHFFFAOYSA-N 375.516 4.549 0 40 GJAB COc1ccc(-c2noc(CSc3nc4ccccc4s3)n2)cc1OC 8447912 LIBMKZVDOOFTON-UHFFFAOYSA-N 385.470 4.656 0 40 GJAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc4c3O[C@@H](C)[C@H]4C)o2)cc1 8484562 NEGOAZFXMXXYHU-RDBSUJKOSA-N 394.427 4.548 0 40 GJAB O=C(O)c1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)o1 8721037 XZLSIEHDSVNZQT-UHFFFAOYSA-N 383.454 4.579 0 40 GJAB Cc1coc2cc3oc(=O)c(CC(=O)Nc4ccc5[nH]ccc5c4)c(C)c3cc12 8764898 RCSNXGUGUFNVGJ-UHFFFAOYSA-N 386.407 4.819 0 40 GJAB biogenic Cc1n[nH]c2c1[C@H](c1ccccc1Cl)N(CCc1c[nH]c3ccccc13)C2=O 8992496 HTHLRKYVWDHVPJ-NRFANRHFSA-N 390.874 4.641 0 40 GJAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)c1 9063063 DWOJZSBEJFXSIA-UHFFFAOYSA-N 376.422 4.865 0 40 GJAB CC1(C)CC(=O)c2sc(NC(=O)CCCSc3ccc(F)cc3)nc2C1 9474966 WLVSPXCHYDYMRY-UHFFFAOYSA-N 392.521 4.948 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Cl)cc3)C(C)(C)C)cc2c1 9498843 FXRMHPBWKMKVSA-UHFFFAOYSA-N 382.891 4.931 0 40 GJAB Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C)c(Cl)c2)o1 9573858 FKCABKGLIBQVLX-UHFFFAOYSA-N 380.835 4.600 0 40 GJAB COc1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1F 10694859 QJFWTUYFQLMBKX-IBGZPJMESA-N 388.442 4.878 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N(C)C2CCCCC2)c2c(C)c(C)sc2n1 11135592 UGLCKPKWGRPFGI-CYBMUJFWSA-N 377.579 4.888 0 40 GJAB COc1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 11339615 NPZHBLRWFOMCNT-UHFFFAOYSA-N 397.478 4.537 0 40 GJAB O=C(NC1CC1)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12366507 HTTIMABLOZFJQA-UHFFFAOYSA-N 375.468 4.718 0 40 GJAB O=C(COc1ccccc1F)Nc1ccccc1-c1nc(-c2ccccc2)no1 12377038 RSVINZMTTCALNI-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB Fc1ccc(-c2noc(CN3CCC(c4nc5ccccc5s4)CC3)n2)cc1 12568031 WUNUCEGCOVVCRA-UHFFFAOYSA-N 394.475 4.865 0 40 GJAB CC[C@@H](CO)Nc1nc(-c2ccncc2)nc2scc(-c3ccc(C)cc3)c12 12812460 GCIYLBWLGFMZHL-KRWDZBQOSA-N 390.512 4.912 0 40 GJAB O=C(Nc1ccc(OC(F)F)cc1)c1cccnc1SCC(F)(F)F 13012765 VGMZOCZURYHGJR-UHFFFAOYSA-N 378.322 4.590 0 40 GJAB Cc1ccccc1CSCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708442 LRTMCUSRUHTPJV-SFHVURJKSA-N 379.525 4.965 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 15640398 UKYYBYOUQYGTES-INIZCTEOSA-N 394.689 4.900 0 40 GJAB COc1cccc(Cc2cc(C)nc([C@H]3CCCN3C(=O)c3ccccc3)c2)c1 19690798 MCEXLJVJDLJJGW-XMMPIXPASA-N 386.495 4.967 0 40 GJAB O=C(c1ccc(F)cc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20421509 BWRVCRLJMJUGSS-UHFFFAOYSA-N 392.449 4.512 0 40 GJAB Cc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cn1 22416101 LHLPITAOYMOKFE-UHFFFAOYSA-N 377.391 4.708 0 40 GJAB CC(C)[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(Cl)cc1 25309801 LURJBDLCAKTSRQ-SFHVURJKSA-N 376.287 4.717 0 40 GJAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(CN2CCCC2)o1 27984320 SCQANOPTACKRHN-UHFFFAOYSA-N 383.673 4.544 0 40 GJAB O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccncc2)nc2ccccc12 31813292 BSZOOKOZDNZKHO-UHFFFAOYSA-N 375.815 4.908 0 40 GJAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccccc2)CCOCC1 32977157 ZMCBVABCIYZEAP-UHFFFAOYSA-N 387.479 4.953 0 40 GJAB O=C(NCc1cccc(Cl)c1)c1ncoc1-c1cccc(C(F)(F)F)c1 35326954 YCMWBJIOYXBKQH-UHFFFAOYSA-N 380.753 4.944 0 40 GJAB Cc1nc(/C=C/C(=O)N[C@H](COc2ccccc2F)c2ccccc2)cs1 36393638 BIBYHJCXENZJQY-TZZQJPOUSA-N 382.460 4.540 0 40 GJAB O=c1c2ccccc2nc(/C=C/c2ccccc2)n1NC(=S)Nc1ccccc1 39377209 SYBVXIYVNVIMIU-FOCLMDBBSA-N 398.491 4.507 0 40 GJAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N(Cc1ccc(F)cc1)C1CC1 40131583 QSOJSKGFYAEZBU-UHFFFAOYSA-N 395.453 4.501 0 40 GJAB O=C(Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)N1CCCC1 41127163 HKLVDRMWTPFYDH-UHFFFAOYSA-N 375.255 4.967 0 40 GJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Br)c1 52410780 CYWOPKFVSKKBKL-UHFFFAOYSA-N 381.657 4.703 0 40 GJAB CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)c(C)c1 58009536 TYVSCWSMOMXXTG-DLBZAZTESA-N 384.545 4.784 0 40 GJAB C[C@H](Sc1nncn1[C@H](C)c1ccccc1)C(=O)Nc1ccccc1Cl 58018154 YSBQPPUODALHSO-KGLIPLIRSA-N 386.908 4.660 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(C)c1 59351627 ZKLHBEBVNJFWNL-HUUCEWRRSA-N 376.294 4.711 0 40 GJAB O=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1ccc(F)cc1F 67260767 FZPMLCLRTUVUCU-UHFFFAOYSA-N 387.389 4.643 0 40 GJAB Cc1ccc(N2CCN(c3nccn4nc(-c5ccc(C)cc5C)cc34)CC2)cc1 67285169 WYWXERCQIOBRHQ-UHFFFAOYSA-N 397.526 4.648 0 40 GJAB Cc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 67292737 OEQXVGYGKXOELG-QEQSUZCXSA-N 396.874 4.536 0 40 GJAB Fc1cccc(CN2CC[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1 72369968 HIILOTCVBLTGSW-OAHLLOKOSA-N 391.368 4.884 0 40 GJAB C[C@@H](NC(=O)CN(C)c1nc2c(C(F)(F)F)cccc2s1)c1ccccc1 77196801 LQSYFBSBHZQFHX-GFCCVEGCSA-N 393.434 4.629 0 40 GJAB Cc1noc(-c2ccccc2C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n1 78876948 MBLQLJQQTSIUPP-SNVBAGLBSA-N 376.243 4.843 0 40 GJAB COc1ccc(CCNC(=O)CCc2cn(C(C)C)c3ccccc23)cc1OC 79188415 CFLWJKGONVMBRE-UHFFFAOYSA-N 394.515 4.531 0 40 GJAB biogenic O=C(Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1)C(=O)NC1CCCC1 84374358 HWOMWUJHYODZHB-UHFFFAOYSA-N 377.271 4.658 0 40 GJAB C[C@H](NC(=O)Cc1cccc2ccccc12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95958248 LDBAQJREMNCCAP-PXNSSMCTSA-N 396.531 4.534 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(CCC(=O)Nc4ccccc4C)CC3)c2c1 95962687 AGTIYYGYLMBWBT-UHFFFAOYSA-N 389.499 4.603 0 40 GJAB C[C@H]1CN(c2nc(-c3cccs3)nc3nc(-c4ccccc4)oc23)C[C@@H](C)O1 96346088 CGBBYQGIBBVVLJ-OKILXGFUSA-N 392.484 4.627 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222907782 UGEJPYWOGYAUDG-HXUWFJFHSA-N 383.488 4.957 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc2ccccc2c1 223623428 FSFDYAOORVBQQW-JOCHJYFZSA-N 377.484 4.809 0 40 GJAB O=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccc(Br)s1 223850823 GPHCFNQJWWGRDE-UHFFFAOYSA-N 394.315 4.563 0 40 GJAB Cc1c(Br)cnc(NC(=S)N[C@H](C)c2ccccc2)c1Cl 223955952 AERJJIJULCBIQU-SNVBAGLBSA-N 384.730 4.854 0 40 GJAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1cccc(Cl)c1 224143211 BPEFZBFBOJQYKS-UHFFFAOYSA-N 395.886 4.900 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 225015218 MBWWHWMJDKRIPX-QFIPXVFZSA-N 396.531 4.617 0 40 GJAB C[C@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)C1 225730975 LGPKSFCGFDXLKT-HDICACEKSA-N 389.609 4.662 0 40 GJAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)c2cccnc2)CO[C@H]1c1ccc(F)cc1 257208429 BMCWAZVVVZYYGI-FUDKSRODSA-N 382.479 4.629 0 40 GJAB Cc1nccc([C@H]2CCCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257243186 IFVFGDVCHHGONN-HSZRJFAPSA-N 387.483 4.877 0 40 GJAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(CC3CC3)[C@H]1CCCCC(=O)N2 257287972 PSGMFHDQPWYKGT-BJLQDIEVSA-N 380.454 4.680 0 40 GJAB Clc1ccccc1CN1CCC(c2cccc(Nc3ncccn3)n2)CC1 257330682 XPLVPTOCEMAYDP-UHFFFAOYSA-N 379.895 4.648 0 40 GJAB COc1cc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)ccc1NC(C)=O 517385688 FWZRXSNZXLGYBZ-UHFFFAOYSA-N 383.492 4.829 0 40 GJAB Cc1csc(Nc2ccc(NC(=O)c3cc(C)n([C@@H](C)C4CC4)n3)cc2)n1 538573567 MTWTWYPNGMXHAB-AWEZNQCLSA-N 381.505 4.923 0 40 GJAB Cc1ccncc1CC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C 622781076 FYRBMRQJUUVXTI-HZPDHXFCSA-N 399.922 4.628 0 40 GJAB COc1cccc2c1CN(C(=O)Nc1cnn(-c3ccccc3)c1C(C)C)C2 626536823 KGLIOFHEPJRTQJ-UHFFFAOYSA-N 376.460 4.552 0 40 GJAB CCn1ncc(NC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)c1C(F)(F)F 626552927 QWUYDGDTKCKUPX-CYBMUJFWSA-N 386.805 4.774 0 40 GJAB Cc1cc(CN(C)Cc2c(C)nc3sccn23)c(Br)cc1F 1204533295 DKSKYYHTXFGQEW-UHFFFAOYSA-N 382.302 4.546 0 40 GJAB O=C(NCC1(c2ccc(F)cc2F)CCCC1)c1ccc(-c2cn[nH]c2)cc1 1638942884 PPWWWSGQYUMCTB-UHFFFAOYSA-N 381.426 4.597 0 40 GJAB CC(=O)N1CCCCCCCN(C(=O)c2ccc(C)cc2)Cc2ccccc21 2037884893 GDYGTVLGKGVOCC-UHFFFAOYSA-N 378.516 4.954 0 40 GJAB O=C(N[C@@H](Nc1ccccc1F)C(=O)c1ccccc1)c1ccc(Cl)cc1 622963 CCMXJYDQPCBJRQ-HXUWFJFHSA-N 382.822 4.530 0 40 GJAB COc1ccc(-n2cc(C(=O)c3ccc(-c4ccccc4)cc3)c(C(C)=O)n2)cc1 988047 OVIVKCWPVDBDCT-UHFFFAOYSA-N 396.446 4.982 0 40 GJAB CCN(CC)C(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C(C)(C)C)C3 1223128 KXBXBFAQWSKZOC-CYBMUJFWSA-N 391.606 4.803 0 40 GJAB CCSc1nnc2c(n1)O[C@H](c1cccc(O)c1Cl)Nc1ccccc1-2 3653299 SJIITSIWAFWGFE-MRXNPFEDSA-N 386.864 4.513 0 40 GJAB Cc1ccccc1CSc1nc2c(c(=O)n1Cc1ccccc1)SCC2 4358752 QRGXJTUUYMHRMG-UHFFFAOYSA-N 380.538 4.541 0 40 GJAB COc1cc2c(cc1NC(=O)c1cccc(OC)c1OC)oc1ccccc12 4476257 RHEFSRYSGBASAH-UHFFFAOYSA-N 377.396 4.864 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)C1(c2cccs2)CCOCC1 4478979 XBLXRAQITOTYJZ-UHFFFAOYSA-N 377.509 4.702 0 40 GJAB CC(C)c1ccc(Cn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)cc1 5235879 ONDAIWCIMYDKPK-UHFFFAOYSA-N 377.532 4.913 0 40 GJAB Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1N1CCCCC1=O 5441759 YJOKKUYQEWKZHG-UHFFFAOYSA-N 376.378 4.783 0 40 GJAB Cc1nc2ccccc2c(C)c1CC(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 5735293 UIGOYRGFJKGQST-UHFFFAOYSA-N 391.511 4.723 0 40 GJAB COc1ccccc1/C=C/C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6009501 LMTJXXSXYBXRKX-BQXQKYNTSA-N 397.478 4.685 0 40 GJAB CCOc1ccc(-c2cnn3cc(-c4ccc(OC)cc4)cnc23)cc1OCC 6745423 DAXKREPMUBVSCA-UHFFFAOYSA-N 389.455 4.869 0 40 GJAB Cc1nnc(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)s1 6847035 VWNSKTPHDGSPIK-MRXNPFEDSA-N 399.566 4.819 0 40 GJAB O=C(/C=C/c1ccc(OC(F)F)cc1)OCCCC(=O)c1ccc(F)cc1 6946511 XHGVHTDZJKVQOM-LFYBBSHMSA-N 378.346 4.647 0 40 GJAB COc1ccc(C(C)=O)cc1COc1ccccc1C(=O)Nc1ccccc1 7263297 RFUVISDPEIUGTH-UHFFFAOYSA-N 375.424 4.729 0 40 GJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@H]2CCCc3ccccc32)s1 7264084 UPJOHXCSAPSRIR-IBGZPJMESA-N 380.488 4.994 0 40 GJAB CC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)cc1 7988538 RSCYVTCIUKBWJW-UHFFFAOYSA-N 380.473 4.539 0 40 GJAB COc1cc(CN(C)C(=O)c2sc(C)nc2C)ccc1OCc1ccccc1 8229846 NZVBDAPEJKDBQZ-UHFFFAOYSA-N 396.512 4.620 0 40 GJAB O=C(COc1ccc(-c2ccccc2)cc1Br)Nc1nccs1 8566733 UTORQKPJCYOBMW-UHFFFAOYSA-N 389.274 4.590 0 40 GJAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3nc(-c4ccncc4)cs3)cc12 8724247 INBGSWQXPIWFER-UHFFFAOYSA-N 397.529 4.833 0 40 GJAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2c(c1)CCC2 9548965 XAVNVYZCZKEHQT-UHFFFAOYSA-N 389.524 4.668 0 40 GJAB O=C(COc1ccc(Br)cc1Cl)N[C@H](c1ccccc1)C1CC1 11215485 NWJPELNOFJBXBB-GOSISDBHSA-N 394.696 4.749 0 40 GJAB O=C([C@H](Sc1nnc(Nc2ccccc2)s1)c1ccccc1)N1CCCC1 12524973 WRMCHMCZLSPGRB-QGZVFWFLSA-N 396.541 4.738 0 40 GJAB CCn1c2ccccc2c2cc(CN(C)C(=O)c3c(C)nn(C)c3Cl)ccc21 12607988 OGSLJLRACMQWBK-UHFFFAOYSA-N 394.906 4.782 0 40 GJAB COc1ccc(-c2csc3ncnc(NC[C@H](O)c4ccccc4)c23)cc1 12614198 VPJRXBRLYAABQK-SFHVURJKSA-N 377.469 4.512 0 40 GJAB CC(C)n1ncc2c(C(=O)Nc3cccc(Br)c3)cc(C3CC3)nc21 12890907 VIRRIAVSNQPLQW-UHFFFAOYSA-N 399.292 4.904 0 40 GJAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)o2)cc1 12995403 WQGHXFTYKBYFJM-UHFFFAOYSA-N 388.427 4.727 0 40 GJAB C[C@H](Sc1nnc(-c2ccc(O)cc2)o1)C(=O)Nc1cccc2ccccc12 13123841 BOAJDIRDEVEOGW-ZDUSSCGKSA-N 391.452 4.715 0 40 GJAB C[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3Cl)c2C(N)=O)C1 14093867 BNJZKIUISBOQNW-QMMMGPOBSA-N 383.300 4.531 0 40 GJAB CCc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 16161594 ZSUUYAKZLIUUMM-JOCHJYFZSA-N 378.497 4.564 0 40 GJAB CCc1ccc(CN(C)C(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1 18960734 CHVISBDLXUPSLH-UHFFFAOYSA-N 393.556 4.622 0 40 GJAB Cc1ncsc1-c1nc(NCc2ccccn2)ncc1-c1ccc(F)cc1 19562408 BTYLTEBOEPVPLT-UHFFFAOYSA-N 377.448 4.722 0 40 GJAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20140098 MNVFKLAAWKZPME-UHFFFAOYSA-N 392.194 4.910 0 40 GJAB CCCCOc1cccc([C@@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)c1 20672430 ROENGPOPIWRXFN-OAQYLSRUSA-N 391.471 4.677 0 40 GJAB Cc1ccc(-c2csc3ncc(C(=O)Nc4cc(C)cc(C)c4)c(=O)n23)cc1 20768055 SDEAGXGAWNHBJE-UHFFFAOYSA-N 389.480 4.601 0 40 GJAB CCCN(Cc1coc(-c2ccccc2)n1)S(=O)(=O)c1ccc(Cl)cc1 21283735 FDVCKBBNDRONSD-UHFFFAOYSA-N 390.892 4.596 0 40 GJAB CNC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1 21357990 YJSLYBRKNOQTCU-UHFFFAOYSA-N 394.858 4.531 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)c(Cl)c1 22512741 RLQXXCHGGMVYJQ-UHFFFAOYSA-N 377.893 4.946 0 40 GJAB CCCn1c(SCc2csc(-c3ccco3)n2)nnc1-c1ccncc1 22516885 GCUOTEUERDENGT-UHFFFAOYSA-N 383.502 4.759 0 40 GJAB COc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2CC2)c(OC)c1 26019491 NCFNWGVBSGBXEN-UHFFFAOYSA-N 394.298 4.744 0 40 GJAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nn12 57316905 CJUIXOSCFXCGKZ-UHFFFAOYSA-N 399.479 4.821 0 40 GJAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)COc1ccccc1C(F)(F)F 58391915 ZETKPOISEHJIIB-CYBMUJFWSA-N 388.389 4.711 0 40 GJAB O=C(NCc1ccco1)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1F 67293180 RMZVUKAAWZLIES-DAFNUICNSA-N 396.805 4.981 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](n2cnc3cc(Br)ccc32)CC1 91302666 CRZVVDRAUXIYLL-CQSZACIVSA-N 394.313 4.761 0 40 GJAB in-vitro CC(C)(C)c1nc(CC(=O)Nc2cc(F)c(Br)cc2F)cs1 95435473 DFAWROIHFNIIOT-UHFFFAOYSA-N 389.265 4.663 0 40 GJAB Fc1ccc(-c2cnc(Nc3cccc(C[C@H]4CC[C@@H]5CNC[C@@H]54)n3)s2)cc1 205617091 CPPHZXFFDLXASL-GPMSIDNRSA-N 394.519 4.876 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1C 218844402 KNHNJXOPDSHUNQ-MRXNPFEDSA-N 390.321 4.939 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 223004914 BGSTUFARMDNZMQ-HSZRJFAPSA-N 396.531 4.573 0 40 GJAB COc1ccccc1CNC(=O)c1ccc(OC)c(CSc2ccccc2)c1 224329949 LKEPLWSOBSEJNR-UHFFFAOYSA-N 393.508 4.926 0 40 GJAB CCSc1ccccc1C(=O)N1CC[C@H](c2noc(-c3cccs3)n2)C1 253472812 PLXZHDPVRHACOP-ZDUSSCGKSA-N 385.514 4.540 0 40 GJAB CCOc1ccc(-c2ccc(OC(=O)c3ccccc3Br)nn2)cc1 408527023 DLWOZKDQMWWMAU-UHFFFAOYSA-N 399.244 4.524 0 40 GJAB Cc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1NC(=O)c1ccccc1 408601275 ARBQOFQZSGUYQG-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCN(Cc1nnc(-c2ccco2)o1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 662158663 WTKVDRXTUMQCHU-ZDUSSCGKSA-N 379.382 4.802 0 40 GJAB O=C(/C=C/c1cccs1)N1CCc2sc(COCc3cccnc3)cc2C1 1565554701 DSNJDDIEFUAOFR-AATRIKPKSA-N 396.537 4.520 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)CCc3ccccc3F)CC[C@@H]2N1c1cccc(F)c1 1615159949 VYLNQUJYCDYDLX-GCJKJVERSA-N 398.497 4.803 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 665624 NSXALEROSGDSNA-UHFFFAOYSA-N 379.787 4.558 0 40 GJAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccccc4Cl)nnc32)cc1Cl 2413704 SGYFAGUMCXSXAW-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB c1ccc2c(c1)ncn1nc(-c3ccc(COc4ccc5c(c4)CCC5)o3)nc21 2806248 OVCKDYKCFXYWLO-UHFFFAOYSA-N 382.423 4.605 0 40 GJAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3CCCCC3)s2)cc1 3229275 FWWGGWXMFKGUQG-UHFFFAOYSA-N 376.551 4.510 0 40 GJAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1F 3411943 DKYZIHJAECRNSL-UHFFFAOYSA-N 391.162 4.658 0 40 GJAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1c(F)cccc1Cl 3416761 USJMIFIVGNRUED-UHFFFAOYSA-N 397.833 4.619 0 40 GJAB O=C1N/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccccc1F 4145435 YAAIZQNTEYBBHG-LDADJPATSA-N 394.427 4.663 0 40 GJAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3-c3ccccc3)ccc12 4569113 JDUDDYFVTWFGSS-UHFFFAOYSA-N 385.419 4.786 0 40 GJAB CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 4597494 WHTHBIIAVJGNSA-FQEVSTJZSA-N 394.906 4.847 0 40 GJAB CC(C)(C)c1ccc(OC(=O)[C@@]2(C)CC2(Br)Br)cc1 4740704 HSQRKRYIGUCSBO-CQSZACIVSA-N 390.115 4.786 0 40 GJAB CC(C)Cc1nc(N2c3ccccc3C[C@H]2C)c2nnn(Cc3ccccc3)c2n1 4898933 KEWJLVQOWUKMLZ-QGZVFWFLSA-N 398.514 4.551 0 40 GJAB CC(C)NC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12 4936747 IXKWSIFINQMQTR-UHFFFAOYSA-N 395.572 4.714 0 40 GJAB Cc1ccc(C)c2sc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)nc12 5182453 KQPBRRFMGVPZTB-UHFFFAOYSA-N 391.949 4.590 0 40 GJAB CCN(CC)CCCNC(=O)C[C@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1 5347389 KWYSEVUPMHGZGK-FCHUYYIVSA-N 388.596 4.522 0 40 GJAB CC(C)c1ccccc1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 5938171 FIGQVJDIPGCDGU-IBGZPJMESA-N 378.501 4.916 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 6152253 ZFSBJANLVGMBLV-HXUWFJFHSA-N 378.859 4.840 0 40 GJAB Cc1cc2sc(NC(=S)NC(=O)c3cccc(F)c3)nc2cc1Cl 6826406 VGBFJMKRUWYSIN-UHFFFAOYSA-N 379.869 4.524 0 40 GJAB COC(=O)c1c(CSc2nnc(-c3ccoc3C)o2)nc2ccccc2c1C 7086661 BAUPIKOGXFQWLP-UHFFFAOYSA-N 395.440 4.574 0 40 GJAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cc2ccccc2o1 7116490 CZWAOMPAKZLLRB-AEFFLSMTSA-N 391.471 4.554 0 40 GJAB Cc1cc(C)cc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1 7178028 CYCDNNYJXAEBGZ-AWEZNQCLSA-N 387.455 4.887 0 40 GJAB CCCCn1c([C@@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 7543581 OJVPZSDMUYZSPY-QGZVFWFLSA-N 377.488 4.756 0 40 GJAB CN(Cc1ccccc1N1CCCCC1)C(=O)CCc1nc2ccccc2s1 8189594 WTYRZNCFXUWOET-UHFFFAOYSA-N 393.556 4.878 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Nc2ccc3c(c2)OCCCO3)c2ccccc2)cc1 8390323 BSKZOBJLIURBAK-QHCPKHFHSA-N 388.467 4.948 0 40 GJAB CC(C)(C)c1ccccc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 8393808 YWLKGRNRFPQGGT-UHFFFAOYSA-N 397.478 4.936 0 40 GJAB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cccc(C(F)(F)F)c1 9427914 OMGSGECDYZOYPF-UHFFFAOYSA-N 387.361 4.887 0 40 GJAB CC(C)[C@@H](NC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 9793160 GUQACAHXRLODMZ-QVKFZJNVSA-N 386.467 4.697 0 40 GJAB CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1C1CC1 9883071 VXTAQIQJOVTMJV-UHFFFAOYSA-N 378.501 4.720 0 40 GJAB Fc1cc(Br)ccc1Oc1ncnc2c1cnn2-c1ccccc1 12568957 OJSYOCKVPVJKKQ-UHFFFAOYSA-N 385.196 4.509 0 40 GJAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1nc(CN2CCCCC2)cs1 12749511 ODRFPDFZQMHBQQ-UHFFFAOYSA-N 387.549 4.578 0 40 GJAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1OC 12984514 QAODIAIBWUKXDC-DPCFLFMUSA-N 394.496 4.690 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)cc1 13729005 SIKLPUVEMWEEQD-UHFFFAOYSA-N 385.876 4.983 0 40 GJAB COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccco4)cc3c2C)c1 15729449 IJVLPXWJQXKLDF-UHFFFAOYSA-N 375.380 4.826 0 40 GJAB biogenic Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccc(C)o3)N3CCCC3)oc2c1 15860475 FCTFAMSUGRFHNI-GOSISDBHSA-N 380.488 4.826 0 40 GJAB COC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 18019544 SLAAETDZWURLCQ-UHFFFAOYSA-N 381.240 4.642 0 40 GJAB C[C@]1(c2ccccc2)CC[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2C1 18244974 ZFUNSQLABWWPNS-OPYAIIAOSA-N 398.300 4.697 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(O)cc3)c2n1 18323257 IPOSRPCOIUKAFI-UHFFFAOYSA-N 377.227 4.573 0 40 GJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1N1CCCC1 19718656 XFQDPVUXAUGKOP-UHFFFAOYSA-N 395.890 4.834 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)cc1C 21577132 YASPLKDSTOVLGO-UHFFFAOYSA-N 385.508 4.560 0 40 GJAB COc1ccc2c(-c3ccccc3)cc(S[C@@H]3CCCCNC3=O)nc2c1 22201807 MRTWHQWVOQJZMM-HXUWFJFHSA-N 378.497 4.671 0 40 GJAB CCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(C(F)(F)F)ccc21 22236653 VVACWGXNYJVUMT-UHFFFAOYSA-N 392.421 4.661 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCCSc2ccccc21 26782840 AWORAIAKVTUSBC-UHFFFAOYSA-N 377.513 4.561 0 40 GJAB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(OC)cc2)cc1 27471083 VGVQKVUMSKPNJG-JPCAVARWSA-N 390.483 4.847 0 40 GJAB COc1cccc(-c2nc3ccc(C(=O)O)cc3nc2-c2cccc(OC)c2)c1 28879015 GCLWCZPPWUFWBF-UHFFFAOYSA-N 386.407 4.679 0 40 GJAB O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCC[C@H]1c1ccccc1 32883789 UZEDPSXMNAWIFU-NRFANRHFSA-N 392.886 4.527 0 40 GJAB CSc1ccc(Cl)c(C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)c1 32930222 TYJQHDCISHRZBO-MRXNPFEDSA-N 391.920 4.550 0 40 GJAB CCCNC(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 33735952 DOVUISFGKXOOME-UHFFFAOYSA-N 378.457 4.846 0 40 GJAB N#CCn1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 33779523 WLSHAPPAZJEUHK-ODLFYWEKSA-N 391.427 4.540 0 40 GJAB CCCCN(CCCC)CN1C(=O)S/C(=C\c2ccccc2OC)C1=O 35240459 XRGOYFXJBCQDQR-JXAWBTAJSA-N 376.522 4.591 0 40 GJAB COCc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc2c1OCOC2 40150678 KNXVQHRJVBEXII-UHFFFAOYSA-N 375.424 4.619 0 40 GJAB O=C(Nc1cccc(Br)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478274 QPHIHDYMEURHBD-UHFFFAOYSA-N 376.641 4.745 0 40 GJAB Cc1nc(C)c([C@@H](C)NC(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)s1 56486703 VBQXUSWRDQAIKO-MRXNPFEDSA-N 387.549 4.691 0 40 GJAB Cc1ccc(-c2ccncc2)cc1NC(=O)/C=C/c1cnn(-c2ccccc2)c1 58310223 FAXDSHIGDWNMNS-CSKARUKUSA-N 380.451 4.895 0 40 GJAB Cc1cc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)on1 69897235 AEFIQSJOCCRPIW-JOCHJYFZSA-N 396.535 4.672 0 40 GJAB Cc1c(F)cccc1NC(=S)Nc1ccc(I)cc1 71326020 AYUFZHSFCZAHQS-UHFFFAOYSA-N 386.233 4.548 0 40 GJAB OC1=Nc2c(cnn2-c2ccc(Cl)cc2F)[C@H](c2ccc(O)cc2)SC1 95474093 ZYEMRZDWYWQDCG-KRWDZBQOSA-N 389.839 4.795 0 40 GJAB COc1ccc([C@H](C)C(=O)Nc2sc(C)c(-c3ccccc3)c2C(N)=O)cc1 107443507 MLAHGIAFUFIBNP-ZDUSSCGKSA-N 394.496 4.573 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 219330207 YPULCBOTHUDQEK-QFIPXVFZSA-N 383.532 4.999 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1 222881829 BSUXWBIDCQAZTI-HRAATJIYSA-N 382.504 4.573 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)cc(C)c1Cl 223235638 GGDXOOQPQCKRPO-CYBMUJFWSA-N 387.892 4.881 0 40 GJAB Cc1ccc2oc(CCC(=O)NCCOc3ccc(C(C)(C)C)cc3)nc2c1 224947679 AMAKXDPIOQSQJU-UHFFFAOYSA-N 380.488 4.562 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1C 225716279 ODVZPZWUJKGRGR-HXUWFJFHSA-N 381.545 4.868 0 40 GJAB O=C(O)c1cnc(N2CCCC[C@@H]2CCc2ccccc2)nc1-c1ccccc1 257298281 RLAMSBWQGMHYPK-HXUWFJFHSA-N 387.483 4.834 0 40 GJAB CC(C)(C)C(=O)NCC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 519975939 MWYRNOMVRSSVLQ-UHFFFAOYSA-N 394.393 4.599 0 40 GJAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1nc(-c2cccs2)cs1 585149378 MJBWHRBNPQLMAZ-MRXNPFEDSA-N 390.555 4.831 0 40 GJAB Cc1cccc(CC(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 1615128510 SUAYWAHWNJVZEX-XMMPIXPASA-N 380.507 4.727 0 40 GJAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1C 989561 NKTVXZNWAKSYKY-UHFFFAOYSA-N 376.847 4.943 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(C)c1 1364551 QPPKLHDSUHOCDF-UHFFFAOYSA-N 392.528 4.551 0 40 GJAB COc1cc(OCc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 1580157 BPTZYKXNPNIIGC-UHFFFAOYSA-N 380.440 4.870 0 40 GJAB CCCOc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1OC 2302746 QFUJXMFBCGXVOZ-ZHZULCJRSA-N 387.435 4.982 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)Cc3cccs3)ccc21 3234208 ZXEBKQIKUKEKEI-UHFFFAOYSA-N 392.480 4.600 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1sc2ccccc2c1Cl 3239460 GDOVKVSJJDKHBQ-GFCCVEGCSA-N 385.872 4.689 0 40 GJAB CCCCn1c(O)c(C(=O)Nc2ccc(OCCC)cc2)c(=O)c2ccccc21 5737733 QTWKHFBYQFOTHH-UHFFFAOYSA-N 394.471 4.548 0 40 GJAB O=C(NC1CCCCCCC1)c1cccc(C(=O)NC2CCCCCCC2)n1 5945162 IEKXLTFOGIVEHO-UHFFFAOYSA-N 385.552 4.767 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 6237542 SGYJYVLNFFFEMI-UHFFFAOYSA-N 380.469 4.647 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1C 7610125 VXUSHDUFUNZASV-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB COc1ccc(CCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 7700236 PPYXEYZQFJUQAK-UHFFFAOYSA-N 395.886 4.900 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)c(Cl)c1Cl 8336359 SREXUBCLSGNKMB-UHFFFAOYSA-N 380.680 4.765 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(C2CC2)nc2ccccc12 8388394 PLMQANQIIPNECU-UHFFFAOYSA-N 396.494 4.845 0 40 GJAB COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 8471671 IQCKLWWMHYBNGR-KRWDZBQOSA-N 396.314 4.850 0 40 GJAB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 8863000 GEYXNSTXEFGJHM-OAQYLSRUSA-N 386.561 4.882 0 40 GJAB Cc1csc(-c2ccc(OCC(=O)Nc3ccc(N4CCCC4)cc3)cc2)n1 9221332 ZSZDBULTOZTOKM-UHFFFAOYSA-N 393.512 4.736 0 40 GJAB CC(C)(C)NC(=O)CC1(C(=O)Nc2ccc(-c3nccs3)cc2)CCCC1 12794281 VGIUTVLIMTUNDX-UHFFFAOYSA-N 385.533 4.614 0 40 GJAB CC(C)n1ncc2cc(C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)cnc21 12979010 RKBXLLYCQXDLBU-IBGZPJMESA-N 394.475 4.732 0 40 GJAB C/C=C/c1cc(C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)cc(OC)c1OC 12991507 VVVUNDGQKBPTAH-OWNNVSBGSA-N 397.471 4.711 0 40 GJAB CC(C)[C@H]1C[C@](CCNC2CCN(C)CC2)(Cc2ccccc2Cl)CCO1 13569824 JIHOBMMLMZGXQJ-PKTZIBPZSA-N 393.015 4.778 0 40 GJAB CC(=O)c1ccc(O[C@H](C)C(=O)Oc2ccc(Br)cc2Cl)cc1 15656768 LZSIZMUQIUNFOJ-LLVKDONJSA-N 397.652 4.678 0 40 GJAB COc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cccc1C(C)C 16130591 JSMOKEAISFIIBE-UHFFFAOYSA-N 398.322 4.690 0 40 GJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 19666650 RXYUAKTXJSIFSC-LBPRGKRZSA-N 398.846 4.566 0 40 GJAB Cc1ccc(-c2ccc(C(=O)Nc3cc(C)c(O)c(C(=O)O)c3)o2)cc1Cl 20140325 ITQSHEBGTWDOEH-UHFFFAOYSA-N 385.803 4.873 0 40 GJAB COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 22075091 GXZGYXXBIMFBTQ-OAQYLSRUSA-N 397.902 4.751 0 40 GJAB O=C(COc1ccc(F)cc1F)N1c2ccccc2OC[C@@H]1c1ccccc1 24237761 FYJHUKOYVAGVNC-LJQANCHMSA-N 381.378 4.511 0 40 GJAB CSc1ccccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32578600 DHELWDLAFQEFSS-UHFFFAOYSA-N 383.473 4.599 0 40 GJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1SCC(F)(F)F 32936709 WLOZCSKULRELPI-UHFFFAOYSA-N 394.418 4.720 0 40 GJAB COc1ccc(NC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1OC 38671362 WRIDOWUBKIATRZ-UHFFFAOYSA-N 397.456 4.674 0 40 GJAB Cc1[nH]c(SCC(=O)N2CCC[C@@H]2c2ccccc2)nc1Cc1ccccc1 40039014 LRUHGFYKLYNJOF-OAQYLSRUSA-N 391.540 4.765 0 40 GJAB COc1ccc(Br)cc1[C@H]1CC(O)=Nc2c1ncn2-c1ccccc1 40284981 AKFANNAAEHGRQF-OAHLLOKOSA-N 398.260 4.767 0 40 GJAB COc1ccc([C@@H](C)NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1F 43976626 JULIBYBEMDABRB-CYBMUJFWSA-N 397.406 4.562 0 40 GJAB CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1C 44856652 JZENEUNVXLQDIP-NFBKMPQASA-N 382.523 4.922 0 40 GJAB Cc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486678 ZOPZUQYICHYNTN-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB CCC(C)(C)n1nnnc1CN(Cc1ccccc1)Cc1ccc(Cl)cc1 57614012 PDCUQONHORKEND-UHFFFAOYSA-N 383.927 4.674 0 40 GJAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4C[C@H](C)C[C@@H](C)C4)cc3)cc2c1 57718230 DVDOBZIIFOFVAV-QZTJIDSGSA-N 375.516 4.931 0 40 GJAB COc1ccccc1CCC(=O)N[C@H]1CCCc2nc(-c3ccccc3)sc21 58139505 AVQQOSZKRGCBKH-SFHVURJKSA-N 392.524 4.945 0 40 GJAB O=C(CC1CCCC1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 58169357 CXEFATGXUDMTOO-UHFFFAOYSA-N 377.532 4.528 0 40 GJAB COc1cccc(C(=O)NCCSCc2cccc3ccccc23)c1OC 64821311 IAVOHGFMAQQEHE-UHFFFAOYSA-N 381.497 4.520 0 40 GJAB O=C(c1ccccn1)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 72349237 SCMWLURUCJBTBL-UHFFFAOYSA-N 391.902 4.741 0 40 GJAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)c1 72380327 HGWWMZKWOJBPBK-FQEVSTJZSA-N 395.890 4.645 0 40 GJAB O=C(c1ccc(F)cc1Cl)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 77171593 GPVURWACZSALRD-MRXNPFEDSA-N 387.760 4.712 0 40 GJAB CC(C)c1c(C(=O)N[C@H](C)CCc2cccn2C)cnn1-c1cccc(Cl)c1 78877606 SUILDRJNYCTMDQ-MRXNPFEDSA-N 398.938 4.739 0 40 GJAB CC(C)n1cc(CCC(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc21 79490172 AQLXOKOHEUAENM-QHCPKHFHSA-N 376.500 4.755 0 40 GJAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2ccc(O)cc2Cl)CC1 84027101 GDBQETFMQOHJMC-UHFFFAOYSA-N 382.891 4.784 0 40 GJAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](O)c1cc(-c3ccccc3)ccc1O2 96341535 WRTVXMCPXSRHEH-HXUWFJFHSA-N 395.499 4.939 0 40 GJAB Cc1cc(C)c(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c(C)c1 101275639 MFIMEMDLRGMMRG-INIZCTEOSA-N 377.271 4.663 0 40 GJAB C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 104725777 LONUFQNZKLVHEF-LMOYCYGVSA-N 395.400 4.585 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)CSCc2ccc(F)cc2)c1 219261259 MKOIPVPYGRZVEA-UHFFFAOYSA-N 375.509 4.595 0 40 GJAB COc1ncccc1NC(=S)NCC1(c2ccc(Cl)cc2)CCCCC1 223997085 NKOMWALPTMLAAK-UHFFFAOYSA-N 389.952 4.932 0 40 GJAB Cc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c(C)c1 224774923 UOKKRBAPQFOLLO-UHFFFAOYSA-N 391.515 4.852 0 40 GJAB CCOc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 224863536 OAJMNOUNFCTXND-HNNXBMFYSA-N 382.435 4.689 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccc(OC)c3OC(C)C)N21 260775090 PDFWXCFSJKKYRU-XPGWFJOJSA-N 397.544 4.857 0 40 GJAB Cc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C 260942960 SIRJPPKBGNFVKI-FPOVZHCZSA-N 382.523 4.840 0 40 GJAB O=C(NCCc1ccc2[nH]ccc2c1)c1cc(-c2ccccn2)ccc1Cl 508239773 FXHVTXYMTGQQBG-UHFFFAOYSA-N 375.859 4.856 0 40 GJAB Cc1csc(Nc2ccc(NC(=O)[C@H](C)N3CCc4ccccc4C3)cc2)n1 605512391 NQNHKNVLWFKFDW-INIZCTEOSA-N 392.528 4.580 0 40 GJAB Cc1ccc(CCC(=O)Nc2ccc(NC(=O)CCc3ccc(C)o3)cc2)o1 916773 LHUIYPINWWDRTH-UHFFFAOYSA-N 380.444 4.632 0 40 GJAB COc1cccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)c1 1369011 UEMGPHWYXVNMON-NHCUHLMSSA-N 397.494 4.542 0 40 GJAB CCc1nc2sc3c(N4CCCCC4)ncnc3c2c2c1COC(C)(C)C2 2270756 CBNHVXANYRHCTH-UHFFFAOYSA-N 382.533 4.644 0 40 GJAB Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2cccc(Cl)c2)CC3=O)cc1 2329127 ZEMLWXZHYCUUGY-MRXNPFEDSA-N 391.858 4.603 0 40 GJAB CCCC(=O)Oc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2ccccc12 3170106 MCYGXSAAAQVEFB-UHFFFAOYSA-N 383.469 4.655 0 40 GJAB C[C@@H](OC(=O)c1c(F)cccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 3348894 QIQBJBWWAYGPDL-MRVPVSSYSA-N 390.625 4.970 0 40 GJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C)oc3C)cc2)cc1 3357165 MSLSWGVDNVNGST-UHFFFAOYSA-N 378.428 4.800 0 40 GJAB CCOC(=O)CCCSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 3399080 BYBQPRLYYWNXOO-UHFFFAOYSA-N 395.528 4.987 0 40 GJAB CCCCC[C@@H](c1nncc(-c2ccccc2)n1)S(=O)(=O)c1ccccc1 3851398 SGNNCWZWPGLNEH-FQEVSTJZSA-N 381.501 4.634 0 40 GJAB biogenic Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(C(F)(F)F)cc1 4033095 VBKYUCOBCVNGMH-UHFFFAOYSA-N 396.372 4.976 0 40 GJAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)O)cc1 4784797 ALXNPPBJSPYRSL-DEOSSOPVSA-N 396.446 4.773 0 40 GJAB CCCC(=O)N(Cc1cccnc1)c1nc2c(OC)ccc(Cl)c2s1 5256938 CCIBRDCZWLUHPE-UHFFFAOYSA-N 375.881 4.687 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(Cl)c(Cl)cc1Cl 5375320 XLRKREWLKFGRQN-HNNXBMFYSA-N 388.634 4.945 0 40 GJAB c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 5603174 PHMJPMIGDXMVJO-GBXCKJPGSA-N 384.435 4.700 0 40 GJAB Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1 6479978 MTQAYQFUFDQJGV-UHFFFAOYSA-N 398.875 4.613 0 40 GJAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3C)cc2)cc1 6504811 DIKUXHDGDVJEQH-UHFFFAOYSA-N 381.453 4.791 0 40 GJAB CCc1ccccc1N/C=C1/C(=O)N(c2cccc(C)n2)C(=O)c2ccccc21 6711573 SLXIPXLWDYWXRY-HMMYKYKNSA-N 383.451 4.592 0 40 GJAB C[C@@H]1CCCCN1C(=O)COC(=O)CSc1cccc2cccc(Cl)c12 7783316 UFCFXKDIPLNHCA-CQSZACIVSA-N 391.920 4.530 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 7929242 ULKFVGRDZRTSBD-SFHVURJKSA-N 379.500 4.950 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 8139891 NHROHMKDCXNJHX-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB COc1ccccc1-c1noc(COc2ccc(Br)cc2Cl)n1 8428958 RLRSYDWYNVUTNP-UHFFFAOYSA-N 395.640 4.740 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCC(=O)c2ccc(F)cc2)cc1 8724410 LOXRGRGZTIXOHK-NRFANRHFSA-N 383.463 4.941 0 40 GJAB Cc1[nH]c(S[C@H](C)C(=O)N2CCCc3ccccc32)nc1Cc1ccccc1 8724979 UMTVISIOTVVUTD-QGZVFWFLSA-N 391.540 4.769 0 40 GJAB COc1ccc([C@@H](CC(=O)Nc2ccccc2-c2ccccc2)NC(C)=O)cc1 8726187 MTNXBCFCOHPHDB-HSZRJFAPSA-N 388.467 4.568 0 40 GJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccc(F)c(F)c3)ccc1O2 9135047 SPRAUHHUALTEKG-UHFFFAOYSA-N 380.350 4.884 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccc(F)c(F)c1 9708221 PGLJJXDAPXPYOJ-LJQANCHMSA-N 384.451 4.560 0 40 GJAB CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2)n1 12221983 FVATWDKGRPKBCL-QFBILLFUSA-N 386.499 4.601 0 40 GJAB CC[C@@H](C)NC(=O)C1(Cc2ccccc2-c2ccccc2OC)CCOCC1 12241864 VONKQPNDSHNMHC-GOSISDBHSA-N 381.516 4.616 0 40 GJAB COc1ccccc1OCC(=O)Nc1sc(SC)nc1-c1ccccc1 12890449 RAFQLSZAKXTRIH-UHFFFAOYSA-N 386.498 4.558 0 40 GJAB C[C@H](C(=O)NC1CCCCCC1)n1nc(-c2cccs2)c2ccccc2c1=O 12925356 JZEWYWIIKACNCP-OAHLLOKOSA-N 395.528 4.525 0 40 GJAB Cc1cc(Cl)ccc1OCc1cc(=O)n2c(-c3ccccc3)csc2n1 13367495 BWDTXSGHYINXMR-UHFFFAOYSA-N 382.872 4.964 0 40 GJAB CN(CCOc1ccccc1)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 14227140 QGSKJAPZMZIVDJ-UHFFFAOYSA-N 399.450 4.555 0 40 GJAB COc1cc(Cl)cc(/C=C2\C(=O)Nc3ccc(Br)cc32)c1OC 15016158 LLEIZSWCNWQBQW-MLPAPPSSSA-N 394.652 4.612 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)c12 15525464 IZOCZWKVLXCGEH-UHFFFAOYSA-N 377.231 4.550 0 40 GJAB COc1cc(OC)c(NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1Cl 15711516 ZBRCFKKDDITDDB-UHFFFAOYSA-N 392.839 4.872 0 40 GJAB COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2 18176582 GXQNDFPTKKZIOC-UHFFFAOYSA-N 381.259 4.601 0 40 GJAB Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2ccc(F)c(Cl)c2)n1 19290078 OQYFDFQAVBSNFC-LJQANCHMSA-N 398.869 4.642 0 40 GJAB COc1ccc(-c2nc(C(=O)N(Cc3ccccc3F)C3CC3)cs2)cc1 19358445 DKQBJNIQTHNQAC-UHFFFAOYSA-N 382.460 4.763 0 40 GJAB CCCCOc1c(Cc2ccccc2)c(C)nc2cc(C3CCOCC3)nn12 19502286 UQAFYXAWTRPHMJ-UHFFFAOYSA-N 379.504 4.701 0 40 GJAB COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3N2C/C(C)=C/c2ccccc2)cc1 19713812 RQLIYRNQQIGSSZ-BAQAQNTKSA-N 390.527 4.583 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1cc3cc(OC)ccc3nc1C)O[C@@H](C)C2 25821612 WLDAUAKZZGJORJ-ZDUSSCGKSA-N 392.455 4.526 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cc(C)cc(C)c3)cs2)cc1 27991910 IYOOHVPZOFYVQD-SFHVURJKSA-N 394.540 4.862 0 40 GJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 32753905 FGDQAWMOGYJOFH-OXQOHEQNSA-N 379.456 4.824 0 40 GJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc2ncsc2c1 33028445 SMRLTTVDGXBIOH-GOSISDBHSA-N 385.920 4.517 0 40 GJAB Cc1cccc(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1C 35291766 AMCGJELAQIOBNS-UHFFFAOYSA-N 396.922 4.651 0 40 GJAB Cc1ccccc1CNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38848724 FEFFLWNDUCWBFK-UHFFFAOYSA-N 391.342 4.830 0 40 GJAB CC(C)[C@H](NC(=O)c1cccc2ncccc12)c1ccc2c(c1)OCCCO2 40047312 BTYMJRDNSUWUGY-QFIPXVFZSA-N 376.456 4.523 0 40 GJAB Cc1nc(C)c2c(C)c(C(=O)NCCc3ccccc3C(F)(F)F)sc2n1 58426838 LRZVHYBPPIFDBW-UHFFFAOYSA-N 393.434 4.608 0 40 GJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(C)cc1 59351770 WWVQORKYKJCRIC-KBXCAEBGSA-N 376.294 4.792 0 40 GJAB Cn1ccnc1[C@@H](NCc1csc(-c2ccsc2)n1)c1cccc(F)c1 67186567 ZNPVIGZJMVDCIP-KRWDZBQOSA-N 384.505 4.623 0 40 GJAB CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc2ccccc2c1 72026581 ARKKXSMIJXSQPI-UHFFFAOYSA-N 394.265 4.567 0 40 GJAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(C)=O 72215289 UTSABZZLJWPEFS-QAPCUYQASA-N 375.513 4.695 0 40 GJAB CC(C)(C)c1ccc2oc(NC(=O)c3cccc(NC(=O)NC4CC4)c3)nc2c1 72311651 VWAGJBGVEMMOTB-UHFFFAOYSA-N 392.459 4.662 0 40 GJAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCN(C(=O)C(C)C)C2)n1 72374738 IANLEXLOPJHZEP-SFHVURJKSA-N 390.449 4.972 0 40 GJAB COc1cccc(CN2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)c1OC 72390099 APPIUCMPMYRERG-MRXNPFEDSA-N 399.516 4.503 0 40 GJAB CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc12 84169918 YWBWDVVQVWMCNC-STQMWFEESA-N 383.414 4.662 0 40 GJAB CCOc1ccc(CC(=O)N2CCC(CSc3ccc(OC)cc3)CC2)cc1 90608265 SKZGNCDCYFIEEC-UHFFFAOYSA-N 399.556 4.667 0 40 GJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3[C@@H]2CCOC(C)(C)C2)cc1 95472445 VNUMOIOHNUTNGW-PBHICJAKSA-N 387.505 4.614 0 40 GJAB O=C(CCn1ccc2c(Cl)cccc21)N1CCC[C@H]1c1nc2ccccc2[nH]1 96232072 HEFQERFZEROYCF-FQEVSTJZSA-N 392.890 4.925 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1 103294763 FVKCJIOLXADGMJ-SZMVWBNQSA-N 378.472 4.712 0 40 GJAB CCOC(=O)/C=C(\C)Nc1cccc2c(N/C(C)=C/C(=O)OCC)cccc12 104218853 HQRKMAUKPPPCQU-WXUKJITCSA-N 382.460 4.597 0 40 GJAB COc1cc(CNC(=O)[C@@H](C)Oc2cccc3ccccc23)ccc1OC(C)C 219037766 MNNQWKQEMNYOGK-QGZVFWFLSA-N 393.483 4.719 0 40 GJAB COc1ccccc1CCCNC(=O)CCCSc1ccc(Cl)cc1 222690443 NMEBQJXCPJEXNW-UHFFFAOYSA-N 377.937 4.970 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C(=O)OC)c1C 222921224 FRLIKFPEALFILZ-HXUWFJFHSA-N 383.488 4.875 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1c2ccc(Br)cc2C[C@@H]1C 222952337 BLVIACLLAFLKBU-JTQLQIEISA-N 380.669 4.703 0 40 GJAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)NC1CCCCC1 225157760 KKICCIZDKBEFFK-IBGZPJMESA-N 378.944 4.696 0 40 GJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(OC)c(C)c1 225190533 YQRJVDHPKXCZDD-VGSWGCGISA-N 381.516 4.917 0 40 GJAB COc1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1OC 225295818 RNBRULZSLIDXLS-UHFFFAOYSA-N 396.965 4.577 0 40 GJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)o1 225334459 NFJFEDWNZOQGBO-SFTDATJTSA-N 393.512 4.947 0 40 GJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSc1ccc(Cl)cc1 225556746 JLDVEAUZJWJBKG-HNNXBMFYSA-N 389.948 4.895 0 40 GJAB O=C(c1ccccn1)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257260392 LCQWQLVFGSOMFI-IBGZPJMESA-N 381.863 4.681 0 40 GJAB CC[C@H](C)NC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1 257276162 NSOXJLFNZVAYJN-SFHVURJKSA-N 381.516 4.616 0 40 GJAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccccc2)C1 257316597 VGFUPMHAZSISPJ-RZUBCFFCSA-N 387.907 4.844 0 40 GJAB COc1ccc(Nc2cccc(NC(=O)C3(OC)CCC(F)(F)CC3)c2)cc1 628584241 UQZAJWULFARUDS-UHFFFAOYSA-N 390.430 4.972 0 40 GJAB Brc1ccc2c(c1)[C@@H]1Oc3ccc(Br)cc3[C@H](O2)O1 674812 WFDANGIGTVZSIQ-ZIAGYGMSSA-N 384.023 4.710 0 40 GJAB CCOc1ccc2nc(SCC(=O)CC(=O)Nc3ccccc3)c(C)cc2c1 915644 DWSMYTCZYDBYRO-UHFFFAOYSA-N 394.496 4.632 0 40 GJAB COc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccccc3C)c2)cc1 992986 UYWFYNKGCMTDIS-QGZVFWFLSA-N 389.451 4.906 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H](c1ccc(F)cc1)N1C(=O)C[C@@H]1c1ccco1 1071241 UHCSFAQTYBBJCO-GCJKJVERSA-N 392.430 4.689 0 40 GJAB Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)Nc1ccc(F)cc1F 1401142 BKCAUQAJQNRHKO-UHFFFAOYSA-N 377.778 4.705 0 40 GJAB CCc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2C)cc1 1980669 WONFYBOBWJMSEW-UHFFFAOYSA-N 376.909 4.521 0 40 GJAB CCc1ccc(C(=O)COC(=O)c2cccnc2Nc2ccccc2F)cc1 2636483 OBBYBOAUYFKXJJ-UHFFFAOYSA-N 378.403 4.566 0 40 GJAB CCOc1ncccc1C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C 3317390 SLHRGDTXPVZHLQ-UHFFFAOYSA-N 384.476 4.523 0 40 GJAB C[C@H]1CCc2sc(NC(=O)c3cc(Cl)ccc3Cl)c(C(N)=O)c2C1 4072616 WGKRKOHOIQWOOL-QMMMGPOBSA-N 383.300 4.531 0 40 GJAB CCC(=O)Nc1ccc(-c2nnc(SCc3ccc(F)cc3)n2CC)cc1 4682103 WSRJZMAWQVAUTI-UHFFFAOYSA-N 384.480 4.745 0 40 GJAB O=C(Nc1c(Cl)cc(Cl)cc1Cl)c1n[nH]nc1NCc1ccccc1 4817783 FESJQENQBNXHOK-UHFFFAOYSA-N 396.665 4.629 0 40 GJAB O=C(c1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)c2ccc(F)cc2c1=O 4937100 RCNABKSTIJIZDO-UHFFFAOYSA-N 393.364 4.698 0 40 GJAB Cc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c1C 5061863 YPVOZHALUDMSPW-UHFFFAOYSA-N 388.467 4.526 0 40 GJAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2c(F)cccc2F)s1 5623952 TZJCDVUYZMNVPC-UHFFFAOYSA-N 392.456 4.599 0 40 GJAB O=C1C(NNc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)=Nc2ccccc21 6196062 MITUQCOHXWTLRX-UHFFFAOYSA-N 399.841 4.793 0 40 GJAB COc1cccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1 6650915 KIDSGQJRCVJDPN-RCCKNPSSSA-N 390.464 4.544 0 40 GJAB CC(C)COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1 7610821 ZSAPBVFAAJHLKV-UHFFFAOYSA-N 394.515 4.846 0 40 GJAB CC(C)[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)OCCCO2 7781376 BOVHDDGYFLGHJH-HSZRJFAPSA-N 379.500 4.854 0 40 GJAB Cc1[nH]c(SCC(=O)N2CCC[C@H]2c2cccs2)nc1Cc1ccccc1 8342621 MPGAASODVZOSME-SFHVURJKSA-N 397.569 4.826 0 40 GJAB CCCN1C(=O)CCc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 9107233 FKCKPUODOGJBKJ-UHFFFAOYSA-N 394.515 4.691 0 40 GJAB CC(C)n1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2ccccc2o1 9595093 NEXRPRYSIKPJHG-UHFFFAOYSA-N 398.532 4.813 0 40 GJAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccc(Br)o1 9827850 MAADVTWDKGGCFV-UHFFFAOYSA-N 399.200 4.652 0 40 GJAB Cc1nc2c3ccccc3nc(SCc3ccc(Br)cc3)n2n1 10157705 GLFOCLFQRJJUAV-UHFFFAOYSA-N 385.290 4.641 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)NCCSCc1ccccc1F 10280059 SESUWUDCQRDAMD-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 10287121 PJEOPQIITYMPLX-RBZFPXEDSA-N 388.895 4.869 0 40 GJAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1 10339428 NFOZWTVFEOMCHC-IBGZPJMESA-N 385.467 4.765 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1occc1COc1ccccc1 10777012 OMXPZYPMXRZUPB-UHFFFAOYSA-N 387.439 4.913 0 40 GJAB Cc1ccc([C@@H](Cc2ccsc2)NCc2cncn2Cc2ccccc2)nc1 12087905 RRRBHLIOYXQSLH-HSZRJFAPSA-N 388.540 4.770 0 40 GJAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(Cl)ccc3Cl)n2)C1 12793527 WBAIXKCUWQRDSM-LLVKDONJSA-N 384.332 4.934 0 40 GJAB COc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)C2CC2)cc1 12820325 PVUHVQNAYJHXOW-CYBMUJFWSA-N 394.298 4.961 0 40 GJAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3cc(Cl)ccc3Cl)ccc(F)c21 12916983 MQUSASBQEZADSG-VIFPVBQESA-N 382.218 4.840 0 40 GJAB COc1ccc2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c(=O)oc2c1 12948403 DEFGAHKMPQLWCQ-UHFFFAOYSA-N 388.301 4.537 0 40 GJAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1 12984768 MYESEPWPDVWZON-UHFFFAOYSA-N 398.459 4.851 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1)C1CC1 13266688 VTCISVUOLFKZPF-UHFFFAOYSA-N 395.528 4.628 0 40 GJAB FC(F)(F)CN(Cc1ccccc1)Cn1nc(-c2cccs2)[nH]c1=S 14222551 IFSDGHAZTNUJHP-UHFFFAOYSA-N 384.452 4.691 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](C)C(=O)c1ccc(F)c(F)c1 14854109 MUUNKBAZSUZKGH-LBPRGKRZSA-N 387.407 4.825 0 40 GJAB COc1cc(/C=C/C(=O)N2CC[C@@H](C)Sc3ccccc32)cc(OC)c1OC 17525268 FVUAHICKUPFDHQ-BOLDSZDNSA-N 399.512 4.643 0 40 GJAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@H]4C[C@@H]4C)C3)noc2n1 19463167 ZRGAOEZCXMXCAC-XQQFMLRXSA-N 395.425 4.727 0 40 GJAB COc1cccc(Cc2cc(C)nc([C@@H]3CCCN3C(=O)c3ccccc3)c2)c1 19690797 MCEXLJVJDLJJGW-DEOSSOPVSA-N 386.495 4.967 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)cc1 20041878 WLHIRLLANDEPTB-GOSISDBHSA-N 381.900 4.686 0 40 GJAB CC1(C)COc2ccc(NC(=O)NCc3cccc4ccccc34)cc2NC1=O 22509300 ZBPSOQNEABYWFB-UHFFFAOYSA-N 389.455 4.519 0 40 GJAB CCN1CCc2nc(NC(=O)c3ccccc3Nc3ccc(F)cc3)sc2C1 25572553 HMGAWPSFVQQUJY-UHFFFAOYSA-N 396.491 4.656 0 40 GJAB Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c(C)s1 31951667 BYMNOVJDXINBFN-SCLBCKFNSA-N 392.952 4.650 0 40 GJAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc(Br)cc1 33474684 IKKJIJWVYVZHFC-XFXZXTDPSA-N 387.664 4.757 0 40 GJAB O=C(O)C(Cc1ccccc1Br)Cc1ccccc1Br 37528815 FAZQZUMWPVGWEC-UHFFFAOYSA-N 398.094 4.698 0 40 GJAB CC1CCN(Cc2ccc(C(=O)NCCSCc3ccccc3)cc2)CC1 38771348 XRIFSUVASLQTAV-UHFFFAOYSA-N 382.573 4.582 0 40 GJAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1ccc(Cl)cc1Cl 40096552 RVTJBYPQLYSUEI-UHFFFAOYSA-N 379.287 4.863 0 40 GJAB O=C(NCc1cccc(Cl)c1)Nc1cccc(NC(=O)c2cccs2)c1 40104510 VQGMFKXHPFFFRH-UHFFFAOYSA-N 385.876 4.976 0 40 GJAB O=C(CCCc1ncc(-c2ccccc2)o1)N1CCC(Nc2ccccc2)CC1 40153001 XDOOCSHQMMGAFJ-UHFFFAOYSA-N 389.499 4.767 0 40 GJAB Cc1cc(Br)ccc1-c1oc(/C=C/C(=O)O)cc1Br 40544916 IGTDXPYUSJSLJD-HWKANZROSA-N 386.039 4.878 0 40 GJAB CC(C)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44901053 AMEHHSRXZRDVLH-OAQYLSRUSA-N 382.548 4.644 0 40 GJAB CCOc1ccc2nc(S[C@H](C(=O)N(CC)CC)c3ccccc3)[nH]c2c1 57841499 YYSWJWAHSFVANF-IBGZPJMESA-N 383.517 4.663 0 40 GJAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc(F)c3F)c12 67090309 OHXMYWNXTFOTJD-UHFFFAOYSA-N 384.411 4.536 0 40 GJAB CCN(C(=O)Nc1ccc2c(c1)OCCO2)[C@@H](Cc1ccc(C)cc1)C1CC1 72303855 BDHLGAIAGBKAMR-FQEVSTJZSA-N 380.488 4.641 0 40 GJAB O=C(Cc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359451 ZQXNVHXIPAMAOA-IBGZPJMESA-N 391.902 4.746 0 40 GJAB Clc1ccccc1C1(c2ccnc(CCc3ccccc3)n2)CCNCC1 72422812 JXNVEYNEYIYCET-UHFFFAOYSA-N 377.919 4.585 0 40 GJAB COc1ccc(C2=CCN(C(=O)N[C@@H]3CCSc4c(F)cccc43)CC2)cc1 83943687 JHYTWFSKVILFAN-HXUWFJFHSA-N 398.503 4.870 0 40 GJAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2sc3ccccc3c2Cl)CCC[C@H]1C 102253248 BAUGPNHZCJAPMM-DYEKYZERSA-N 379.909 4.652 0 40 GJAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@H](c4cccnc4)C3=C(O)C2)cc1 102721985 QSQZKWXPNBEXBZ-IERDGZPVSA-N 387.439 4.994 0 40 GJAB Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)/C=C/c1cccnc1 152230279 ANQDFQHUJYKCRR-BJMVGYQFSA-N 386.430 4.735 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc(-c2cc3ccccc3o2)cc1 169678598 ZPRFWGVOJIMMSJ-PLFDUVPRSA-N 381.431 4.657 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)COc1ccc(OC)cc1 216265509 QEFDTDJZPYIPHF-VGOFRKELSA-N 393.483 4.590 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(C(C)(C)C)cc1 218934381 UXABNLBWNWSMFP-FQEVSTJZSA-N 397.515 4.790 0 40 GJAB Cc1ccc(OCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 222758911 XTPROAHGMRVARH-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(C)cc1 224130629 OXJJCHGWOUGKMH-UHFFFAOYSA-N 379.431 4.652 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224160693 UFCNTOZZXUTNFE-WOJBJXKFSA-N 376.529 4.815 0 40 GJAB CCOc1ccccc1CCCNC(=S)Nc1ccc(Br)cc1 225395213 UCFCMSBGPIQBMW-UHFFFAOYSA-N 393.350 4.767 0 40 GJAB COc1ccccc1NC(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 225768700 GXABQALFRMWLAH-UHFFFAOYSA-N 380.419 4.735 0 40 GJAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)n1 257216241 CTRBTGYPYPJVOQ-VAMGGRTRSA-N 390.531 4.593 0 40 GJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cc(Cl)c(O)c(Cl)c2)S1 260763067 IIDLYSWGSXLJGU-TURNYIBQSA-N 380.300 4.683 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2C(F)F)nnc1-c1ccccc1 408541497 BMMNKOMRZLHQGT-UHFFFAOYSA-N 388.443 4.633 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)c1C 408659325 KTKDOWJCYMZVNR-JOCHJYFZSA-N 399.490 4.853 0 40 GJAB O=C(Nc1ccc(Cc2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1)C1CC1 546286124 CQSMYGWVLUUAFS-UHFFFAOYSA-N 388.254 4.983 0 40 GJAB Cc1ccc(CN2CCC(Cc3ccnc(Nc4ncc(C)s4)c3)CC2)cn1 585262774 DVNVVXHBCZPEGO-UHFFFAOYSA-N 393.560 4.748 0 40 GJAB COc1cccc(COc2cccc(NC(=O)CCCc3cccnc3)c2C)c1 613006016 JBQFWTGEKIFWMD-UHFFFAOYSA-N 390.483 4.939 0 40 GJAB Cc1cccc(-c2cccc(CNC(=O)[C@@]3(C)Cc4ccc(C)cc4C(=O)O3)c2)c1 1125731954 PSYJGFHBXFCHIJ-AREMUKBSSA-N 399.490 4.758 0 40 GJAB Cc1cccc(CC(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1 1538219626 LGWAUCIHNREQJG-JOCHJYFZSA-N 386.486 4.548 0 40 GJAB O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1cc2ccc(C(F)(F)F)cc2[nH]1 1628886345 VRIMYQPXAPKCJA-OAHLLOKOSA-N 396.796 4.694 0 40 GJAB O=C(O)c1ccc(-c2ccc(CN3CCC[C@H]3c3cccc(F)c3)o2)cc1O 2037873482 OLCOQHOGWMSGFM-IBGZPJMESA-N 381.403 4.827 0 40 GJAB CCOc1ccc2cc(-c3nnc(Nc4ccccc4F)s3)c(=O)oc2c1 856293 SMNWRDYSTFYTES-UHFFFAOYSA-N 383.404 4.593 0 40 GJAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc(C(=O)OC)c1 944210 OVQBYKHHJBKSLJ-UHFFFAOYSA-N 398.846 4.904 0 40 GJAB CCOc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccc(C)cc2)cc1 993176 GRJYSUIMBIGBDD-UHFFFAOYSA-N 389.451 4.908 0 40 GJAB CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc2cc(OC)ccc2nc1Cl 1300592 FGIISVWZYARSQD-FQEVSTJZSA-N 393.874 4.985 0 40 GJAB Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)cc1 1369019 VRTWXMPXKIDZJL-FGZHOGPDSA-N 381.495 4.841 0 40 GJAB Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1C(=O)c1ccccc1 1432499 ILZZBCGWFBVKKC-UHFFFAOYSA-N 382.463 4.680 0 40 GJAB Cn1c2ccccc2c2cc([C@@H]3N[C@@H](C(=O)O)Cc4c3[nH]c3ccccc43)ccc21 1787666 NGQNWWAYSMYTDE-OFNKIYASSA-N 395.462 4.501 0 40 GJAB biogenic Cc1ccc(S(=O)(=O)N(C)C2c3ccccc3Oc3ccccc32)cc1C 1865483 SZYYBRVMOHQASZ-UHFFFAOYSA-N 379.481 4.819 0 40 GJAB Cc1ccc(C(=O)Nc2c(-c3ccccc3)c(=O)c(C)nn2-c2ccccc2)cc1 2435794 KXOOMKQCLWWUCC-UHFFFAOYSA-N 395.462 4.769 0 40 GJAB COc1cc(-c2nnc(SCc3ccccc3Cl)o2)cc(OC)c1OC 2436099 TVPZTOZDHPVYMK-UHFFFAOYSA-N 392.864 4.708 0 40 GJAB CCCCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)cc1 2694770 INYFDBLBSDIDDZ-UHFFFAOYSA-N 393.512 4.992 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(I)cc1 3058134 BCQHPQRTEOEEEZ-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cccs1)CC2 3231029 WFBAVJNYBULZBI-IBGZPJMESA-N 385.510 4.615 0 40 GJAB O=S(=O)(CCCOc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 3470149 QGSZGFHJSAHEBD-UHFFFAOYSA-N 378.799 4.602 0 40 GJAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 4588321 UWUHAWTXBWUHOE-OAHLLOKOSA-N 395.503 4.929 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccc(F)cc1 5136265 XGONFTWNAOCOQT-UHFFFAOYSA-N 380.444 4.733 0 40 GJAB Clc1ccc(OCCCSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 5281976 XCJWOXVLWOBBPM-UHFFFAOYSA-N 390.848 4.680 0 40 GJAB Cc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@H](c2ccccc2)C1=O 5483806 WWWAKMOSYJSATR-JOCHJYFZSA-N 390.870 4.770 0 40 GJAB CCOC(=O)c1oc2ccccc2c1NS(=O)(=O)c1ccc2ccccc2c1 5927387 ZMASKQNQBPZXCE-UHFFFAOYSA-N 395.436 4.564 0 40 GJAB O=C1OCC[C@H]1Sc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 5982240 FORDMLWYGGJSGO-GOSISDBHSA-N 384.888 4.659 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)ccc1Cl 6268007 IOEMLPMURQCCNY-SNVBAGLBSA-N 386.648 4.956 0 40 GJAB O=C1COc2ccc(-c3csc(Nc4ccccc4C(F)(F)F)n3)cc2N1 6583891 WZSRXTALXQMERA-UHFFFAOYSA-N 391.374 4.903 0 40 GJAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 6622984 LCCPOQOZCSEUIO-LLVKDONJSA-N 393.299 4.693 0 40 GJAB Cc1nnc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 6832206 SVPHVKMFFXZLTG-UHFFFAOYSA-N 383.864 4.571 0 40 GJAB Cc1cccc(-c2nnc(SCc3c(F)c(F)c(F)c(F)c3F)n2C)c1 7061028 CBZYONHJMGFAAJ-UHFFFAOYSA-N 385.361 4.778 0 40 GJAB CC(=O)c1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 7652763 AJMJRLOAHJXMRU-UHFFFAOYSA-N 397.471 4.732 0 40 GJAB CC(=O)c1sc(NC(=O)COc2cc(C)ccc2C)nc1-c1ccccc1 7800035 DHZCGRJIDHWRFS-UHFFFAOYSA-N 380.469 4.647 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7882508 BQRFVGHPASCBTK-HNNXBMFYSA-N 398.384 4.850 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)CCc3c[nH]c4ccccc34)s2)cs1 8132369 JIPUYRNMUODROW-UHFFFAOYSA-N 381.526 4.910 0 40 GJAB Cc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O 8570759 DCIIIEZQGDAJLO-MHWRWJLKSA-N 388.286 4.994 0 40 GJAB Cc1ccc(-n2ncc3c(N4CCC(Cc5ccccc5)CC4)ncnc32)cc1C 8860352 QVJQXMKEVHTKHC-UHFFFAOYSA-N 397.526 4.891 0 40 GJAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1C 8959790 PJYVHSRDDUBBIH-UHFFFAOYSA-N 394.515 4.963 0 40 GJAB CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC 9295939 OCGWYXMZAQSFFK-YVLHZVERSA-N 389.860 4.988 0 40 GJAB COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12 11613861 IONPSOZUFRMUJA-UHFFFAOYSA-N 381.375 4.668 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)c(Cl)c2)N1C[C@H]1CCCO1 12595529 NBHVJJCMPKDAMC-FZKQIMNGSA-N 377.271 4.739 0 40 GJAB Cc1c([C@@H](C)NC(=O)c2cccs2)cnn1-c1cccc(C(F)(F)F)c1 12780157 YQYCNNVATOBFHA-LLVKDONJSA-N 379.407 4.752 0 40 GJAB CC(C)c1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 13733290 PLCHCETYHZPENT-CYBMUJFWSA-N 385.851 4.919 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)cc2)n1 14609515 LRZXRYUFCOQJPR-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB Cc1ccc(C)c([C@H](NC(=O)c2ccccc2Br)c2cccnc2)c1 15839844 BAPGPJVVSMXFMH-HXUWFJFHSA-N 395.300 4.980 0 40 GJAB CN(CCCNC(=O)Nc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 16188513 SHBYIHHQOPSGSK-UHFFFAOYSA-N 395.290 4.669 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)C3(c4ccccc4)CCC3)n2)c1 16962471 XCWUFSWWOBFVAT-UHFFFAOYSA-N 394.496 4.888 0 40 GJAB CN1CCC2(CC1)CN(Cc1ccccc1C(F)(F)F)Cc1ccccc1O2 19588430 QHWUOTCZCBKVSR-UHFFFAOYSA-N 390.449 4.564 0 40 GJAB COc1cccc(-c2nc3c(Br)c(N)c(Br)cc3o2)c1 20134478 XJMCCVJDXCNOLN-UHFFFAOYSA-N 398.054 4.611 0 40 GJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc(-c2ccccc2)on1 21805498 YJYQJOCNLJNIIP-FQEVSTJZSA-N 395.890 4.562 0 40 GJAB O=C(Cc1csc(-c2ccccn2)n1)N(Cc1ccccc1)c1ccccc1 26369083 SNWNGHNRFUEHCR-UHFFFAOYSA-N 385.492 4.981 0 40 GJAB O=C(O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1C12CC3CC(CC(C3)C1)C2 27062282 FBNJJEDPSHLHLZ-UHFFFAOYSA-N 380.532 4.974 0 40 GJAB COc1ccc(CN(C(=O)c2ccc(Cl)cc2)c2ccccn2)cc1OC 27581105 VKTRJLMHRXIKGP-UHFFFAOYSA-N 382.847 4.599 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(OC2CCCC2)cc1 29026724 LDQXEFDIXVUSMV-HSZRJFAPSA-N 390.483 4.911 0 40 GJAB O=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 30807262 XRLMOIUGUKHMEY-UHFFFAOYSA-N 397.733 4.928 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)CSCc1nc(-c2ccccc2Cl)no1 32779113 RXEZPNYOPDMUEZ-CYBMUJFWSA-N 399.903 4.601 0 40 GJAB COc1ccc(-c2nnc(CSc3ncnc4c3oc3ccccc34)o2)cc1 32842614 OQTJSDVFVWBOTE-UHFFFAOYSA-N 390.424 4.727 0 40 GJAB CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)Nc1cccc(C(C)=O)c1 32931994 RQTRCTXETDFWQI-UHFFFAOYSA-N 395.459 4.768 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)CCc2ncc(-c3ccccc3)o2)cc1OC 40087546 YQUCWWRDIPRDRP-INIZCTEOSA-N 394.471 4.559 0 40 GJAB CN(c1ccccc1)c1ccccc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 40122763 SGWUDRBBFKEFIH-SFHVURJKSA-N 389.430 4.658 0 40 GJAB Cc1ccc2c(Nc3ccc(F)c(Cl)c3)c(C(=O)N3CCCC3)cnc2n1 49004528 ZBXCBCZJHSDNJG-UHFFFAOYSA-N 384.842 4.710 0 40 GJAB Cc1ccc(F)c(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)c1 67295580 DUQBUTBXVFRHKK-LVWGJNHUSA-N 376.387 4.636 0 40 GJAB C[C@H](c1ccccc1Cl)N(C)Cc1csc(CNC(=O)c2ccccc2)n1 72309115 OIJUHHSGVQXICI-OAHLLOKOSA-N 399.947 4.920 0 40 GJAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4cccnc4)C3)c2)c1 72356068 VIVHKIOMLNUNIT-QHCPKHFHSA-N 385.511 4.704 0 40 GJAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2Cc2ccnc3ccccc23)c1 72380369 OZSFXZHPZNGIJS-QHCPKHFHSA-N 384.483 4.971 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(Cl)cc1F)SCC(O)=N2 79482822 CLRSVOUZPUMREE-QGZVFWFLSA-N 388.855 4.792 0 40 GJAB O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1SCc1cccs1 89811828 LHOYKFIYDMXTTQ-UHOSZYNNSA-N 385.554 4.728 0 40 GJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(Cl)cc1Cl 95482190 WQQPQOWWNTVHSH-UHFFFAOYSA-N 396.661 4.969 0 40 GJAB COc1cc(C(=O)Nc2c(C)cnn2-c2ccccc2)ccc1OC1CCCC1 95964531 NQRDVJDUPJLVDM-UHFFFAOYSA-N 391.471 4.763 0 40 GJAB CCCOc1c(Cl)cc(CN[C@@H](CN(C)C)c2ccccc2)cc1OC 96971442 IGOKVFMKQPTQOL-IBGZPJMESA-N 376.928 4.530 0 40 GJAB CSc1ccc(NC(=O)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 100423471 CBCGEOMMSIECBT-PMACEKPBSA-N 381.545 4.726 0 40 GJAB CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 100831776 RLOYQHMWSVMPSX-KBOSCXGNSA-N 385.592 4.533 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 103245619 YRWRIRXTNBTXFS-VZZFWQQMSA-N 376.859 4.997 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H](C)SCc2ccccc2)sc2c1CCC2 103795355 VXMZGZHCVXCRCN-ZDUSSCGKSA-N 389.542 4.674 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1cccc(C)c1C 219366734 BYPOMFLNIALPNP-OAQYLSRUSA-N 383.532 4.999 0 40 GJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)N[C@@H]1CCCc2ccccc21 219469866 MDRMOVVWSKTEET-OAQYLSRUSA-N 384.479 4.774 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 222931004 UPEVESMPBNPRIX-LEWJYISDSA-N 394.519 4.640 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223099214 XDAYFQMDYJOADI-DHIUTWEWSA-N 381.516 4.999 0 40 GJAB C[C@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCC2 223213316 GSWWDFXTXDVUCL-MOPGFXCFSA-N 376.544 4.898 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(Br)cc1 223664787 CVGWCDINEBPBIG-UHFFFAOYSA-N 376.294 4.555 0 40 GJAB Cc1ccccc1CSCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223705623 NKMYABGOSOPXJT-SFHVURJKSA-N 383.557 4.691 0 40 GJAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2C)c(Cl)c1Cl 224622616 YWEAKHMNXFBZEU-UHFFFAOYSA-N 394.707 4.789 0 40 GJAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1 226340709 GNOOZGNCAVQIFA-BQYQJAHWSA-N 381.653 4.868 0 40 GJAB O=C(N1CC[C@H](Oc2cccc3cccnc23)C1)C1(c2cccs2)CCCC1 238815660 BKDJQEJJFBPADP-SFHVURJKSA-N 392.524 4.788 0 40 GJAB COc1ccc(CCN2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 257230729 GDQOMGZTUGYNAH-UHFFFAOYSA-N 388.515 4.651 0 40 GJAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)cc1OC 633158 YBHHLLRTBWMCRS-UHFFFAOYSA-N 399.450 4.809 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 702209 TZDQILIFYGWZRB-UHFFFAOYSA-N 392.451 4.564 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 1178353 GUFBQYZPEUTWFD-GZTJUZNOSA-N 389.860 4.988 0 40 GJAB Cc1nc(SCC(=O)N2CCCc3ccccc32)c2c(C)c(C)sc2n1 1340323 BPFWIOHHWRSYIQ-UHFFFAOYSA-N 383.542 4.688 0 40 GJAB O=c1c2ccccc2nc(-c2ccccc2)n1-c1cccc(Br)c1 2311144 GYUPMJBFUIMBTP-UHFFFAOYSA-N 377.241 4.815 0 40 GJAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1 2398494 UMTHLOUFNYJJTQ-UQBPGWFLSA-N 381.840 4.673 0 40 GJAB COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 2404970 IXFPXIGYJAFTIO-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB Cc1ccccc1[C@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@H]2c1cccs1 2707209 OTINGDSTQHQADC-VXKWHMMOSA-N 398.491 4.861 0 40 GJAB O=C1C[C@@H](c2cc3c(cc2Br)OCO3)c2c(ccc3ccccc23)N1 3073768 XKMANPNDWVVZJJ-AWEZNQCLSA-N 396.240 4.805 0 40 GJAB CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)c2c[nH]c3ccccc23)cc1 3349405 DIQHAXNBJCSTMM-NRFANRHFSA-N 375.516 4.672 0 40 GJAB Cc1cccc(OCCC(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)c1 3379220 ZIWMLMBUGGQWJW-HNNXBMFYSA-N 388.920 4.942 0 40 GJAB CCOc1ccc(C(C)=O)cc1COC(=O)c1c(-c2ccccc2)noc1C 3518199 KGXGPFQJMGCDGY-UHFFFAOYSA-N 379.412 4.608 0 40 GJAB CCCn1c([C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 4033582 AGRUSDRIGLFLDO-AWEZNQCLSA-N 383.879 4.629 0 40 GJAB CCCCNC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O 4134102 DGXJFDTWGWAYIR-UHFFFAOYSA-N 399.585 4.575 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1 4698065 CVXNENJQTFITNY-UHFFFAOYSA-N 383.517 4.800 0 40 GJAB CCCCc1nc2sc3c(SCCN(C)C)ncnc3c2c2c1CCC2 5252481 QSWCNAHQOVQMEL-UHFFFAOYSA-N 386.590 4.725 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc2cc(C)ccc2[nH]1 5357090 OGBZFFGFTWTCNY-NSHDSACASA-N 375.881 4.653 0 40 GJAB CN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)c2cc(Br)ccc21 6497678 PXHJWXDDNXFVCT-RIYZIHGNSA-N 380.188 4.568 0 40 GJAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1C(F)(F)F 6566225 BNEFUQKHPFWCNJ-VBQJREDUSA-N 386.410 4.866 0 40 GJAB O[C@H](CNCC1CCCCC1)COC(c1ccc(F)cc1)c1ccc(F)cc1 6936636 OROOQQOQKAUOOI-JOCHJYFZSA-N 389.486 4.602 0 40 GJAB C=CCc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(OCC)c1O 6958647 PQBVEIYULWCHKF-WBCKRXDOSA-N 388.533 4.609 0 40 GJAB Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2F)c(Cl)c1 7200580 TXZIFSMTSNHULT-UHFFFAOYSA-N 386.648 4.876 0 40 GJAB Cn1c(N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)nc2ccccc21 7343364 IWBLLPZPMMJAST-SSDVNMTOSA-N 394.818 4.631 0 40 GJAB CCc1nnc(S/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C(=O)O)o1 7508399 MWLPQUZLQGXISD-PDGQHHTCSA-N 396.468 4.737 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1C 8264502 VLKUHBFOUSBCEH-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc3cccc(OC)c3o2)sc2c1CCCC2 8960428 BHZPCYMJRSHNOD-UHFFFAOYSA-N 399.468 4.811 0 40 GJAB COc1ccccc1[C@@H](CC(=O)N(C)[C@@H]1CCOC(C)(C)C1)c1ccccc1 8991293 ZDYLSNYRCQNAFN-CTNGQTDRSA-N 381.516 4.633 0 40 GJAB Cc1nc(Nc2ncc3c(n2)C[C@H](c2ccccc2)CC3=O)nc2c(C)cccc12 9350966 VBCHYIJFTINFQM-KRWDZBQOSA-N 395.466 4.693 0 40 GJAB Cc1ccc(C)c(N2CCN(C(=S)Nc3ccc(C(F)(F)F)cc3)CC2)c1 9877092 LXFVTZPQIVLILF-UHFFFAOYSA-N 393.478 4.841 0 40 GJAB CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cccs3)C[C@H]21 10216120 VDLZYOORAQNKOJ-DYESRHJHSA-N 377.469 4.784 0 40 GJAB Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccccc2Cl)cc1 12753462 BZZOIUXLZXGCTL-UHFFFAOYSA-N 394.858 4.809 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 12902466 NENDJNDRXGQMQM-UHFFFAOYSA-N 391.515 4.616 0 40 GJAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)cc1 12917484 GSBSYSLNIAUAGS-MRXNPFEDSA-N 386.300 4.528 0 40 GJAB COc1ccc(OCCC(=O)Nc2ccc(Br)cc2Cl)cc1 12981982 SRMCPWJJXGKDEU-UHFFFAOYSA-N 384.657 4.519 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 12997310 GZVBRRALAJMUIR-UHFFFAOYSA-N 388.939 4.700 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2sc(-c3cccs3)nc2C)cc1F 13000811 NXTSWXPKYLNXND-SNVBAGLBSA-N 376.478 4.819 0 40 GJAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2)cc1 13647628 GRVBIOZOTWGZSO-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB CCOC(=O)c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1C 13676435 CYCMWADVONVXSQ-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@H](Cc1ccccc1)c1ccccc1 14237034 BNQTTXZKRYADEE-LADGPHEKSA-N 398.506 4.678 0 40 GJAB C[C@@H]1CCc2c(sc3nc([C@@H](C)N4CCCc5ccccc54)[nH]c(=O)c23)C1 15349984 AFVOCWHADXMDEG-ZIAGYGMSSA-N 379.529 4.623 0 40 GJAB Cc1ccc(C)c(CSc2nnc(-c3ccncc3)n2Cc2ccco2)c1 16756276 MVPZDKIRDGKJGF-UHFFFAOYSA-N 376.485 4.891 0 40 GJAB CC1=C(C(=O)OC(C)C)[C@H](c2c[nH]c3ccccc23)n2c(nc3ccccc32)N1 17078855 OYOCLBFBRGWRNV-NRFANRHFSA-N 386.455 4.758 0 40 GJAB CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 19081746 KUKVZNFEICBDBJ-UNMCSNQZSA-N 397.538 4.869 0 40 GJAB CC[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(OC)cc1 20039769 ZOUSLZORCAEKPO-QGZVFWFLSA-N 388.316 4.573 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Br)c(C)c1 20456604 QGTIGINVHREZRJ-QGZVFWFLSA-N 378.266 4.562 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC(C)C 20492980 UDJUADPOUURZTJ-QFIPXVFZSA-N 390.483 4.774 0 40 GJAB Cc1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 20612048 ZDCYBUHLSDMNMH-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB Cc1ccc(Cl)cc1-n1ncc2c(N3CCCc4ccccc43)ncnc21 20662154 ODYIGQCGKVSVDW-UHFFFAOYSA-N 375.863 4.862 0 40 GJAB O=C(COc1ccc2oc3c(c2c1)CCCC3)OCc1nc2ccccc2o1 21339588 AOUHHQJBHGKFSB-UHFFFAOYSA-N 377.396 4.575 0 40 GJAB Cc1ccccc1-c1nc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)no1 21806649 GPEGMFCPIGESER-AWEZNQCLSA-N 385.851 4.721 0 40 GJAB O=C(Nc1ccccc1Cl)[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 23142943 KCQOECQMDFWOJE-AWEZNQCLSA-N 398.919 4.714 0 40 GJAB Cc1cccc(NC(=O)CSCC(=O)Nc2cccc(Cl)c2C)c1C 28183361 YKBNUOSESIGCIE-UHFFFAOYSA-N 376.909 4.576 0 40 GJAB FC(F)(F)c1ccc(N2CCCC2)c(NCc2nc(-c3ccco3)no2)c1 29981102 KRYBFHWLLSBPKI-UHFFFAOYSA-N 378.354 4.561 0 40 GJAB Cc1ccn2cc(C(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)nc2c1 32891747 XVDXEXKMFKVXOQ-UHFFFAOYSA-N 385.427 4.539 0 40 GJAB Cc1nc2ccccc2nc1S[C@@H](C)C(=O)Nc1nc2ccccc2s1 32931652 WKJDWBGAOANOME-LBPRGKRZSA-N 380.498 4.667 0 40 GJAB COc1cc(C)c(CN(CCCn2ccnc2)Cc2ccccc2F)cc1C 36740379 FNHCNRYAWCNYHY-UHFFFAOYSA-N 381.495 4.740 0 40 GJAB O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccc(Br)o1 38490132 KOEVRPADKPGQHT-UHFFFAOYSA-N 391.246 4.608 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38853419 QYAMKPCXNLZICQ-AWEZNQCLSA-N 381.278 4.983 0 40 GJAB CN(Cc1c(F)cccc1Cl)C(=O)c1cnn(-c2ccccc2)c1C1CC1 40060244 DGWCPWAVBCUMSP-UHFFFAOYSA-N 383.854 4.814 0 40 GJAB Cc1nc(C2(NC(=O)/C=C/c3ccc4ccc(Cl)cc4n3)CCCCC2)no1 44611515 AYBIZGQNHWCSBZ-MDZDMXLPSA-N 396.878 4.569 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1C 44911723 SLBXNXRVHXKTAZ-UHFFFAOYSA-N 394.515 4.800 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1 57473869 XNNWXFLRPFDFMK-OXQOHEQNSA-N 391.540 4.801 0 40 GJAB Cc1ccc(N2C(=O)CC[C@H](C(=O)N3CCCCCC3)[C@@H]2c2cccs2)cc1 58402607 QMOYPUUJNDIFIK-SIKLNZKXSA-N 396.556 4.943 0 40 GJAB Cc1cccc(NC(=O)CN(C)C(=O)c2oc3c(C)ccc(C)c3c2C)c1C 60019771 DITVKHXOXFXKPJ-UHFFFAOYSA-N 378.472 4.686 0 40 GJAB Brc1cccc(-c2nnc(CN3CCC[C@@H]3c3cccs3)o2)c1 65608523 XPBZWVFKIDHPDQ-CQSZACIVSA-N 390.306 4.898 0 40 GJAB CCN(Cc1ccccc1)C(=O)c1ccc2onc(-c3csc(C)n3)c2c1 96037848 QTJLGYQXHHDFHN-UHFFFAOYSA-N 377.469 4.922 0 40 GJAB CC[C@@](CNC(=O)CCc1ccc(C(F)(F)F)cc1)(OC)c1ccccc1 96123750 QQZHSUYWHODHQQ-FQEVSTJZSA-N 379.422 4.706 0 40 GJAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4cccc(C)c4)C3=C(O)C2)cc1 102578802 JTKACBHEXOEHJQ-HTAPYJJXSA-N 386.455 4.660 0 40 GJAB CCOc1ccccc1[C@H]1C2=C(O)C[C@@H](c3ccccc3)CC2=Nc2ncnn21 102591654 JPURMFOAEPRBKD-AOMKIAJQSA-N 386.455 4.742 0 40 GJAB Cc1ccccc1C(=O)/N=c1\c2c3c(sc2nc2n1CCCCC2)CCCC3 103453494 WJFPACNPIXZQBA-NJNXFGOHSA-N 391.540 4.753 0 40 GJAB C[C@@H](NC(=O)CSCc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 105920773 MNFMKNHOQGCCDG-RMRKRWHISA-N 382.367 4.623 0 40 GJAB O=C(c1cc(=O)c2ccccc2o1)N1CCS[C@@H](c2ccccc2Cl)CC1 219030691 MRHWVFBDZLHFIN-HXUWFJFHSA-N 399.899 4.767 0 40 GJAB Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 222732777 SZAWKRWJYZNOND-HXUWFJFHSA-N 394.559 4.568 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1 224530943 GKKFAUASESSUOP-UHFFFAOYSA-N 397.525 4.605 0 40 GJAB CCOc1ccccc1CCCNC(=S)Nc1ccc(OC)c2ncccc12 225398770 OQQLBEAILCZYOW-UHFFFAOYSA-N 395.528 4.561 0 40 GJAB CC1CCN(c2ccc(N)cc2NC(=O)c2ccccc2Br)CC1 226254694 KKDMNNHBMOCWKZ-UHFFFAOYSA-N 388.309 4.520 0 40 GJAB Cc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 408623638 RKWXITDZZDELNQ-UHFFFAOYSA-N 376.481 4.701 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccccc2)c(C)c1 408694032 HLLWPAMLXUUMAK-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB O=C(CCc1cccc(OC2CCCC2)c1)Nc1ccccc1-n1ccnc1 524322695 MSPORXJTFRGXSF-UHFFFAOYSA-N 375.472 4.765 0 40 GJAB Cc1c(OCC(=O)Nc2cc(Cl)ccc2Cl)c(=O)ccn1CCC(C)C 524733805 QXGBZUHDSKOXRZ-UHFFFAOYSA-N 397.302 4.527 0 40 GJAB CCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(Cc2ccc(F)cc2)n1 585265296 ICRSNVRMQOHLMZ-UHFFFAOYSA-N 381.403 4.584 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCC3)cc2c1 880538 KXINKPNEJWWERI-UHFFFAOYSA-N 381.520 4.623 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 1886267 IBVXYKBEJVAATF-UHFFFAOYSA-N 376.250 4.658 0 40 GJAB CCCOC(=O)c1c(NC(=O)c2ccc(OCCC)cc2)sc2c1CCC2 2751471 VQTHPWORHQHENL-UHFFFAOYSA-N 387.501 4.845 0 40 GJAB CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccccc1 3008152 JCLBVOSRYNTGEJ-QGZVFWFLSA-N 381.476 4.891 0 40 GJAB CCN(CC)Cc1nc(Nc2ccc3c(c2)OCO3)c2c(C)c(C)sc2n1 3534079 XBRFIRIBNIVPME-UHFFFAOYSA-N 384.505 4.622 0 40 GJAB COc1cccc(C(O)(c2ccc(Br)cc2)c2cccc(OC)c2)c1 4241657 CJSKXXDTYRRWCZ-UHFFFAOYSA-N 399.284 4.751 0 40 GJAB CCN(CC)CCN(C(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 4585300 MEYMZPPDPCDELH-UHFFFAOYSA-N 387.936 4.938 0 40 GJAB C[C@@H]1CCC[C@H](NC(=O)CCCC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1C 4700225 AEYUOUOTMARILI-CPUCHLNUSA-N 384.442 4.755 0 40 GJAB CC(C)(C)NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 5043396 FSYAQCOUWFCGOY-UHFFFAOYSA-N 387.427 4.542 0 40 GJAB CC(=O)Nc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)cc1 5187161 YBOZXCCDYWBYLK-KRWDZBQOSA-N 381.284 4.730 0 40 GJAB Cc1ccc(CSc2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)o2)cc1 5298367 HLOVLMHAANLYAV-HNNXBMFYSA-N 375.494 4.742 0 40 GJAB O=C(/C=C/c1ccc(F)cc1)OCc1ccc(C(=O)Nc2ccccc2)cc1 5667656 HXMUISWVPGTCNM-XNTDXEJSSA-N 375.399 4.835 0 40 GJAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 5977168 JBINVWBNJXPGQG-UHFFFAOYSA-N 399.299 4.613 0 40 GJAB COc1cc(C)c(NC(=O)COc2ccccc2-c2ccccc2)cc1OC 6259205 QEYJWBPTKWUAFP-UHFFFAOYSA-N 377.440 4.697 0 40 GJAB CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCC(=O)O 6959526 HDRNYJHXJHDRNT-ZVBGSRNCSA-N 382.243 4.915 0 40 GJAB COc1cc(C)c(CN(C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC 7453500 UKYXOPBWXOPHSC-QGZVFWFLSA-N 384.520 4.595 0 40 GJAB CCc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 7881927 UWNLDOKGZPIICU-CYBMUJFWSA-N 377.271 4.547 0 40 GJAB O=C(OCc1ccc(-c2ccccc2)cc1)c1ccc(CN2CCCC2=O)cc1 8313069 DEDXSTHURWPVDG-UHFFFAOYSA-N 385.463 4.833 0 40 GJAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@H]1c1nc2ccccc2s1 8402599 ANCMJRNHICKUED-IBGZPJMESA-N 378.497 4.528 0 40 GJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1c[nH]c2ccccc12 8428059 FQVKHUWKNBQQHZ-CQSZACIVSA-N 388.496 4.990 0 40 GJAB COc1ccc(N(Cc2cccs2)C(=O)c2ccc(Br)o2)cc1 8586703 KGVKEQWNIAEIFX-UHFFFAOYSA-N 392.274 4.959 0 40 GJAB COc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4F)cc(=O)c3c2)c1 9660110 RIFYDOGEOIVCHW-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB biogenic COc1ccccc1CN(Cc1cccs1)C(=O)/C=C/c1csc(C)n1 10642976 DMXADUBJJBISKD-MDZDMXLPSA-N 384.526 4.764 0 40 GJAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)c(Cl)c2)c1 11427274 PNXDSENVROYFKO-UHFFFAOYSA-N 386.908 4.907 0 40 GJAB C[C@]1(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)CC1(Cl)Cl 12402160 RLCQAUYKWKYDMI-QGZVFWFLSA-N 380.227 4.730 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1C[C@@H]1CCCO1 12564331 TULYYVJKZGEUEJ-UGSOOPFHSA-N 377.271 4.739 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 12599749 BEUSSTFODAWOHX-PHIMTYICSA-N 383.872 4.640 0 40 GJAB CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 12651278 PNQZWSSSIUYLFE-UHFFFAOYSA-N 386.455 4.552 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccccc2Cl)c(C)c1 13646970 GMUSTCMDHLEJCB-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB COc1cccc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2Cl)c1 14100202 FWDBEUKFDFKUIE-OAHLLOKOSA-N 386.300 4.528 0 40 GJAB O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1Cl 15359976 AXASKEVVKTWRRM-GFCCVEGCSA-N 392.304 4.648 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1c(-c3ccccc3)noc1C)O[C@@H](C)C2 18238352 OIHHHTMTJCQRAY-ZDUSSCGKSA-N 378.428 4.624 0 40 GJAB Cc1csc([C@H](Cc2ccsc2)NCc2cc(Cl)c3c(c2)OCO3)n1 19240216 GQMJQYNQXMCLAL-HNNXBMFYSA-N 392.933 4.969 0 40 GJAB Cc1c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)oc2c(F)cccc12 19840710 SYFOWQIDHWLBEV-UHFFFAOYSA-N 377.419 4.776 0 40 GJAB Cc1cc(C)c(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c(Cl)c1 20144407 FPEJIOWCCSSVCJ-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1OCC 20487966 MZGZYVDCERDVQK-QGZVFWFLSA-N 391.895 4.611 0 40 GJAB CCOc1cccc(CN[C@H](C)[C@@H](O)c2ccccc2)c1OCc1ccccc1 22076885 FIDVHXZAKYEHDZ-NTKDMRAZSA-N 391.511 4.876 0 40 GJAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1cc(F)cc(F)c1 25056818 VIBVRCOMLPJKQX-UHFFFAOYSA-N 377.368 4.715 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cn2cc(Cl)cn2)cc1 27969742 OLLPVWXMJGIVDS-UHFFFAOYSA-N 393.796 4.534 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c2cccnc12 28293582 BUEZXRKWMSBOAN-OAHLLOKOSA-N 382.435 4.959 0 40 GJAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)Cc1ccc(F)cc1 32609767 WSQOQYMDTUHDSO-UHFFFAOYSA-N 389.833 4.661 0 40 GJAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](C(F)(F)F)C2)cc1 34873501 UDWLHEXWQQMQSR-QFBILLFUSA-N 392.421 4.649 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 54276082 VZDZCKMDXCMUQJ-SPLOXXLWSA-N 386.517 4.943 0 40 GJAB CCC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 58173970 LRDIBBGVWQKYGZ-HUUCEWRRSA-N 384.467 4.969 0 40 GJAB COc1ccc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1OC(F)F 58195739 ABLAEQKJPZHGEN-SFHVURJKSA-N 392.446 4.883 0 40 GJAB CCOc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccncc2)cc1CO 65370718 PBYUSYGQANQXNH-UHFFFAOYSA-N 385.467 4.551 0 40 GJAB O=c1c2ccccc2nc(SCCc2ccccc2)n1Cc1cccs1 67259485 WKZIKIABJLZUST-UHFFFAOYSA-N 378.522 4.841 0 40 GJAB CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72214373 UHQPJWMGWOSYOD-SFHVURJKSA-N 397.475 4.902 0 40 GJAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 72356084 FQZKRMKNGVXVBF-OAQYLSRUSA-N 389.474 4.535 0 40 GJAB O=C(NCCCN1c2ccccc2Sc2ccccc21)NCc1ccco1 78387948 JTJSHNJAFOQCRJ-UHFFFAOYSA-N 379.485 4.772 0 40 GJAB COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)C[C@@H]4C(C)C)cc1 85876219 VSQQMYONTPPWHC-OAHLLOKOSA-N 394.423 4.526 0 40 GJAB biogenic O=C(Nc1ccc(Sc2nncs2)c(Cl)c1)c1cccc(F)c1F 95349139 ZQSRTBBUFAHSFH-UHFFFAOYSA-N 383.832 4.873 0 40 GJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)CC(C)(C)C)CC2)c2ccccc21 96242367 PXUJIVBTTQGLJX-LJQANCHMSA-N 398.591 4.729 0 40 GJAB CC1(C)[C@@]2(c3ccccc3)[C@H]3[C@@H](O)C(Br)=C[C@@H]3[C@]12c1ccccc1 104280632 LXXURMUGPWKUQM-AOHGFKCNSA-N 381.313 4.802 0 40 GJAB COc1cccc2cc(C(=O)N3CCS[C@H](c4ccccc4F)CC3)oc12 219075496 YZOQAYYLQUMZNL-IBGZPJMESA-N 385.460 4.901 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 223607329 MRDMHRGAGUSHJE-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB Cc1cccc(CCCNC(=S)Nc2ccc(Br)c(C)c2)c1 225391840 SIHZHOJHGJEHGS-UHFFFAOYSA-N 377.351 4.985 0 40 GJAB CCOC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1C 225578017 JPXANZBCPHYAMJ-SFHVURJKSA-N 398.528 4.761 0 40 GJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225845940 JQRWGYVJNULRIR-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1Cl 244324203 XKEJDKQBYUISQX-LLVKDONJSA-N 397.689 4.947 0 40 GJAB Cc1cc(Nc2cccc(C3CCN(C(=O)CC4CCCCC4)CC3)n2)[nH]n1 257256018 KJTODPIWLRXVRR-UHFFFAOYSA-N 381.524 4.533 0 40 GJAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 408562588 CPPWBZABZVWOKJ-UHFFFAOYSA-N 384.545 4.704 0 40 GJAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cc(-c2cccs2)[nH]n1 575620530 RYJYSSYCASLJDV-UHFFFAOYSA-N 389.484 4.590 0 40 GJAB Cc1ccc(S(=O)(=O)n2cc(Sc3cccc(Cl)c3)c(C)n2)cc1 602993590 BIMFVQWTKFSXRS-UHFFFAOYSA-N 378.906 4.542 0 40 GJAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(F)cc1 606422428 CODJBDNNVZHASO-UHFFFAOYSA-N 389.405 4.748 0 40 GJAB Fc1ccc2nc(C(Br)(Br)Br)ccc2c1 2162812 AYMMQFYDUYJYBC-UHFFFAOYSA-N 397.867 4.669 0 40 GJAB COC(=O)c1c(NC(=O)c2ccccc2OC)sc(-c2ccccc2)c1C 2239140 WPAKHKCTGPMNLC-UHFFFAOYSA-N 381.453 4.771 0 40 GJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1Cc1ccco1 2405369 VCCCZXIUFNNXNK-LJQANCHMSA-N 391.810 4.785 0 40 GJAB CCOc1ccc2[nH]c3c(N4CCC(Cc5ccccc5)CC4)ncnc3c2c1 2408162 HVNRYPBFZZIPGK-UHFFFAOYSA-N 386.499 4.969 0 40 GJAB OCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 2714861 HUFGNGNULQPPMR-UHFFFAOYSA-N 398.388 4.511 0 40 GJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)c1 2723014 ZZFQJDVBDLYMKG-UHFFFAOYSA-N 391.418 4.930 0 40 GJAB C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ccc2c(c1)OCO2 3399496 DUDGFGQMHJCPQZ-LBPRGKRZSA-N 384.482 4.658 0 40 GJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN=C1SCc1ccc(F)cc1 4119960 ZXAVOMDWMGWCQC-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB COc1ccccc1C(=O)N(Cc1cccnc1)c1nc2c(F)cccc2s1 4273258 QMMHXVXGGGTYRN-UHFFFAOYSA-N 393.443 4.686 0 40 GJAB Cc1ccc(C)c(CSc2nc3c(c(=O)n2Cc2ccccc2)SCC3)c1 4358764 JJKFXOIRVRDWDN-UHFFFAOYSA-N 394.565 4.849 0 40 GJAB CCCCOc1ccc(C(=O)Nc2nnc(-c3ccccc3SC)o2)cc1 4585555 JVASLTRMBFMFQA-UHFFFAOYSA-N 383.473 4.890 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 4662690 SRILEKKWPNWKAD-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccc(C(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)c(OC)c1 5083767 JUPDMXUODPNTAP-UHFFFAOYSA-N 393.468 4.641 0 40 GJAB Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1 5478169 NJUVLQZXPXEPIG-UHFFFAOYSA-N 380.517 4.510 0 40 GJAB Cc1ccc2nc(C3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)[nH]c2c1 5988460 NIWRMRNTYNEMTD-UHFFFAOYSA-N 377.532 4.794 0 40 GJAB Cc1ccc(CNC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)cc1 6748018 NXJDMNVJLPQJNN-UHFFFAOYSA-N 397.931 4.969 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCN=C1SCc1cc(C)ccc1C 7346337 ZUEINFGMOPMZSF-UHFFFAOYSA-N 388.920 4.711 0 40 GJAB CCOc1cccc(CNCc2ccc3c(c2)OCO3)c1OCc1ccccc1 7539393 LSXNESHECYEZDG-UHFFFAOYSA-N 391.467 4.683 0 40 GJAB CCC(=O)Nc1ccc(-c2csc(CC(=O)Nc3ccc(CC)cc3)n2)cc1 7845886 SFUOBKNJZFQRRD-UHFFFAOYSA-N 393.512 4.902 0 40 GJAB Cc1ccc(/N=C2\S/C(=C/c3ccc(Br)o3)C(=O)N2C)cc1 8362873 RUGXZLCYEGRQKT-SIJMIEFHSA-N 377.263 4.584 0 40 GJAB COc1ccc(F)cc1COC(=O)c1c(-c2c(F)cccc2Cl)noc1C 8393700 GDVKZRBVVASKRL-UHFFFAOYSA-N 393.773 4.947 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 8434303 KOFFYIUBJAVTFU-HZPDHXFCSA-N 396.874 4.580 0 40 GJAB O=C(NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 8476850 KCKGRBPKVIZLKJ-UHFFFAOYSA-N 398.869 4.789 0 40 GJAB Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 10689947 SHSPJZIQQHQSHD-QFIPXVFZSA-N 384.479 4.803 0 40 GJAB ClC1(Cl)C[C@H]1CSc1nnc(-c2ccncc2)n1-c1ccccc1 10991216 UNAMLXDXYCDGCA-ZDUSSCGKSA-N 377.300 4.615 0 40 GJAB O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1ccc(F)cc1Cl 11620681 WYBCUCNNISXVGG-UHFFFAOYSA-N 382.266 4.783 0 40 GJAB COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NCc1ccc(C)cc1 12062691 WXQGTQNQGAHPRF-BUHFOSPRSA-N 398.399 4.877 0 40 GJAB Cc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc4nccnc4c3)C2)cc1 12420804 PTAZMBOOICOCRH-OAQYLSRUSA-N 382.423 4.523 0 40 GJAB O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2cccc3ccccc23)CC1 12819564 DMISOKJPPVHPLE-UHFFFAOYSA-N 392.886 4.984 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2sc(-c3ccsc3)nc2C)c1 12976197 VRLIQYDEVZVHPN-LLVKDONJSA-N 388.514 4.688 0 40 GJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12995344 NKHGIPXYVLKNNX-UHFFFAOYSA-N 399.416 4.652 0 40 GJAB CC1(C)C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1 13669924 IZQNIAQCABSJTP-CQSZACIVSA-N 386.300 4.574 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(Cl)c1 20041270 LCZMUGXOOKQEHT-LLVKDONJSA-N 382.243 4.576 0 40 GJAB Cc1ccsc1CN(C)Cc1cc(=O)oc2cc(Br)ccc12 20803462 QULSKPFPPLYKQQ-UHFFFAOYSA-N 378.291 4.557 0 40 GJAB Cc1noc2nc(-c3ccco3)cc(C(=O)OCc3nc4ccccc4s3)c12 22002858 XZWRHECCMCXZOU-UHFFFAOYSA-N 391.408 4.758 0 40 GJAB O=C(c1nc(-c2ccc(F)cc2)n2c1CCCCC2)N(Cc1ccco1)C1CC1 25110742 PKYNIKMPYAUJIG-UHFFFAOYSA-N 393.462 4.813 0 40 GJAB CN(C)[C@H](CNCc1c(OC(F)F)ccc2ccccc12)c1cccs1 25355868 KWFKVEJUGHVWIN-QGZVFWFLSA-N 376.472 4.895 0 40 GJAB Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)cc2)cc1 28527917 ZQKGLBIISZAILS-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB Cc1cccc(-n2nnnc2SCc2coc(-c3cccc(Cl)c3)n2)c1 28965053 UHQPXBXCQSIIGT-UHFFFAOYSA-N 383.864 4.571 0 40 GJAB O=C(c1cccs1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 32479544 FPNLYHOPWPLLCO-XBXARRHUSA-N 377.465 4.880 0 40 GJAB Cc1ncc(NC(=O)c2cccs2)n1-c1nc(-c2ccc(F)cc2)cs1 32615921 XIHAWOPQPXPCID-UHFFFAOYSA-N 384.461 4.757 0 40 GJAB C[C@@H](OC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1 32731796 MJQPCJHHQJVNNH-CYBMUJFWSA-N 396.384 4.760 0 40 GJAB O=C(Cc1csc(COc2ccccc2)n1)Nc1ccc(F)c(Cl)c1 33326263 UPTGKFIWAWZQBN-UHFFFAOYSA-N 376.840 4.696 0 40 GJAB COc1cccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)c1 35225256 CLAPUJRGMBGXTO-LICLKQGHSA-N 388.876 4.763 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)CCc3ccccc3Cl)cc2)n1 35317103 KUBJYCDBJSHJQR-HNNXBMFYSA-N 381.907 4.894 0 40 GJAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)c1OC 36364929 FFTBPQXONDJGNK-HNNXBMFYSA-N 383.835 4.667 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1 36803788 KWTPCMPFJZWRJP-JOCHJYFZSA-N 376.456 4.630 0 40 GJAB Cc1cccc(CSCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 39750395 XYYMQRACDLOQPE-UHFFFAOYSA-N 396.600 4.565 0 40 GJAB COc1ccc2cc(COC(=O)CSc3ccc(NC(C)=O)cc3)ccc2c1 40052598 KGHLDJRMARIDAG-UHFFFAOYSA-N 395.480 4.642 0 40 GJAB COc1ccccc1[C@@H](C)NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 57688691 OTIGPPWIOPFFHT-QWHCGFSZSA-N 381.303 4.530 0 40 GJAB Nc1cc(C(=O)OCc2coc(-c3ccccc3Cl)n2)cc(C(F)(F)F)c1 64585542 YDELRFLNWYGYID-UHFFFAOYSA-N 396.752 4.953 0 40 GJAB Cc1ccc2nc(NC(=O)c3cnc4c(cnn4C4CCCC4)c3)sc2c1 71849934 NIOAQRRVGPOUSA-UHFFFAOYSA-N 377.473 4.717 0 40 GJAB O=C(CCOc1ccccc1)N1CCC[C@H]1c1n[nH]cc1-c1cccc(Cl)c1 72380404 WFRFNVHXXPQIJP-FQEVSTJZSA-N 395.890 4.863 0 40 GJAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2cc(C(F)(F)F)ccc2F)C1 72403953 MQTYFHJEDLFSGE-LBPRGKRZSA-N 379.313 4.806 0 40 GJAB Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1cccc2ccccc12)C(F)(F)F 84011920 DXHQHJHVUWHCIC-QGZVFWFLSA-N 376.382 4.615 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(OC(C)C)cc1 113970564 USZDLLYNZHWVLF-HXUWFJFHSA-N 375.896 4.909 0 40 GJAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)cc1 116757305 XXWKJQUNCBXIEL-UHFFFAOYSA-N 384.435 4.745 0 40 GJAB O=C(COc1ccc(Br)cc1)Nc1ccc(OC2CCCC2)cc1 218817566 WGOFLDUNYGJTPP-UHFFFAOYSA-N 390.277 4.788 0 40 GJAB Cc1noc(C)c1-c1cc(C2CCN(C(=O)CCc3ccccc3)CC2)ccn1 257254096 KBOJKZUOFGOUTE-UHFFFAOYSA-N 389.499 4.692 0 40 GJAB Cc1nccc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257256028 KJUKPDQUVMZRAK-HXUWFJFHSA-N 387.483 4.530 0 40 GJAB Cc1noc(C)c1CCC(=O)N1CC[C@@H](Nc2ccccc2)[C@@H](CC(C)C)C1 257334374 YFQBANRBQRWPOL-SIKLNZKXSA-N 383.536 4.599 0 40 GJAB CC1=NN(C(=O)COc2ccc(C3CCCCC3)cc2)[C@@](O)(c2ccccc2)C1 408562793 CJSIHWFAICVUDU-DEOSSOPVSA-N 392.499 4.567 0 40 GJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1OC 409000265 YBSZUCDWAIOZQE-PPRBQIKUSA-N 379.456 4.699 0 40 GJAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O 409153867 ISCPNCFESCRMOQ-VMJKNEJGSA-N 392.480 4.535 0 40 GJAB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccccc2Cl)c1C 409197889 RDQUALSTZPSFSH-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB COc1ccc(Nc2nc(C(=O)N(C)[C@H](C)c3ccc(OC)cc3)cs2)cc1 607047805 NMVFOGYPNCELOS-CQSZACIVSA-N 397.500 4.737 0 40 GJAB CCc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1 724748 HMAIHKJPOYTESK-UHFFFAOYSA-N 391.334 4.755 0 40 GJAB O=C(Nc1ccc(Cl)cc1)c1cccc(C(=O)Nc2ccc(Cl)cc2)n1 876227 XBBQGHSZZBVMQY-UHFFFAOYSA-N 386.238 4.893 0 40 GJAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1 977007 XBSDQMHCVZBHTP-INIZCTEOSA-N 380.517 4.620 0 40 GJAB O=C(Cn1c(-c2ccccc2)c[n+]2ccsc12)c1ccc(Br)cc1 1512850 WECHHCVEPAXCDT-UHFFFAOYSA-N 398.305 4.601 0 40 GJAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 2493300 MLLRBRIOUJSQNQ-NRFANRHFSA-N 382.419 4.555 0 40 GJAB O=C(CSc1nc2ccccc2nc1-c1ccccc1)N1CCCCCC1 2699444 AZKYYOXBOPFROK-UHFFFAOYSA-N 377.513 4.792 0 40 GJAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1F 3238955 WWOMVSOFRPRJCV-UHFFFAOYSA-N 390.625 4.510 0 40 GJAB C[C@H]1CCc2sc(NC(=O)c3cc(Cl)cc(Cl)c3)c(C(N)=O)c2C1 4071918 HLCAYXGMQBJWNK-QMMMGPOBSA-N 383.300 4.531 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CSC3)cc1 4176224 JKQKRAXSAOEXIW-UHFFFAOYSA-N 399.903 4.598 0 40 GJAB Oc1cc(-c2ccccc2)n2c(SCc3c(F)cccc3Cl)nnc2n1 4250103 RVRBPZFGTYIRED-UHFFFAOYSA-N 386.839 4.582 0 40 GJAB CCOc1ccc(NC(=S)N2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 4858945 XBGHWPOFZRWWSF-INIZCTEOSA-N 394.544 4.846 0 40 GJAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C 4860436 KLSOZYISFKUBTP-UHFFFAOYSA-N 398.532 4.796 0 40 GJAB CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2Cl)CC1 5644258 PHGQXJNYVGEGLX-UHFFFAOYSA-N 392.330 4.696 0 40 GJAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCCC3)cc2)cc1 5944795 GCDGBISDKQBXDO-UHFFFAOYSA-N 395.572 4.923 0 40 GJAB CSCC[C@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O 6850307 VNUFJGXQRBFQHB-HNNXBMFYSA-N 393.468 4.661 0 40 GJAB CCN1C(=O)S[C@@H](Cc2ccc(OCc3ccccc3F)c(Cl)c2)C1=O 6952403 YBPNBXXYALJRPF-KRWDZBQOSA-N 393.867 4.685 0 40 GJAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 7235186 XJLIJCTVYKJUCX-CQSZACIVSA-N 394.500 4.604 0 40 GJAB O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 7307009 SWMCWYWGJALJAD-CYBMUJFWSA-N 392.933 4.518 0 40 GJAB Cc1cccc(-c2nnc(CSc3nnc(-c4cccs4)n3C3CC3)o2)c1 7546357 IJYNQWLKMSWDKX-UHFFFAOYSA-N 395.513 4.992 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 7807919 BTRXECTXOULNPF-UHFFFAOYSA-N 395.890 4.727 0 40 GJAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccnn1Cc1cccs1 7986381 HZGSQVVGAZLVLU-UHFFFAOYSA-N 377.469 4.824 0 40 GJAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1cccnc1 7990304 QXXWCKFDSNIXMD-GOSISDBHSA-N 375.859 4.778 0 40 GJAB Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)oc2c1ccc1ccccc12 8014542 SPNQFWBPJSSMIL-ZDUSSCGKSA-N 386.407 4.866 0 40 GJAB COc1ccccc1C(=O)N[C@H](C(=O)Nc1c(C)cccc1C(C)C)C(C)C 8133381 JTLSMLNMFPQCQQ-FQEVSTJZSA-N 382.504 4.520 0 40 GJAB COc1ccc(-c2nnc(NC(=O)c3cccc4ccccc34)s2)cc1OC 8739806 YAQOWKFORNNXEU-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB CCCCOc1cccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 9192618 QDEPKJLTAVMDRO-UHFFFAOYSA-N 388.895 4.608 0 40 GJAB C[C@@H]1CCc2ccccc2N1C(=O)Cn1c(-c2cscn2)nc2ccccc21 9336584 YWAFOPQUDBNEBZ-OAHLLOKOSA-N 388.496 4.528 0 40 GJAB CCc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3NC(C)=O)cs2)cc1 11057743 YCLUJTANSPCMNE-UHFFFAOYSA-N 383.448 4.722 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 11096797 DFEWHDPSVDXEGM-IBGZPJMESA-N 386.495 4.619 0 40 GJAB O=C(NCc1ccccn1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 12512475 KHEVLPQRKRTCRX-UHFFFAOYSA-N 388.858 4.518 0 40 GJAB Cn1c(SCc2nc(N)c3c4c(sc3n2)CCCCC4)nc2ccccc21 12529427 HTIVBJNUDCOOLY-UHFFFAOYSA-N 395.557 4.721 0 40 GJAB C[C@@H](NC(=O)c1ccccc1NC(=S)Nc1ccccc1)c1ccccc1 13999478 WTPUJOXWNGFTET-MRXNPFEDSA-N 375.497 4.987 0 40 GJAB CC(=O)c1ccc(O[C@@H](C)C(=O)Oc2ccc(Br)cc2Cl)cc1 15656769 LZSIZMUQIUNFOJ-NSHDSACASA-N 397.652 4.678 0 40 GJAB CCOc1ccccc1-c1nc(S)c2c(n1)Oc1c(cccc1OCC)C2 15830920 XZYTXWYPDHDRFN-UHFFFAOYSA-N 380.469 4.926 0 40 GJAB CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2O)sc(C)c1CC 17077456 PMWVEOSHNDUMLN-UHFFFAOYSA-N 378.519 4.619 0 40 GJAB CCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1 17308044 UZMCPVBBZNZQFW-UHFFFAOYSA-N 379.851 4.920 0 40 GJAB Cc1ccc([C@H](NC(=O)c2cc(=O)c3ccccc3o2)c2cccs2)cc1 18211968 XBRSZOKVJKGLAB-NRFANRHFSA-N 375.449 4.682 0 40 GJAB Cc1noc2nc([C@@H]3CCCN(Cc4ccccc4F)C3)cc(C(F)F)c12 19564364 JFIFWYXGAFFOKU-CQSZACIVSA-N 375.394 4.988 0 40 GJAB CC(C)n1c([C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)no2)nc2ccccc21 19659390 WOKQCMFLIYSQGD-AWEZNQCLSA-N 392.434 4.902 0 40 GJAB O=C(O)c1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 20395231 WHULXIFUJNCRTD-UHFFFAOYSA-N 389.436 4.789 0 40 GJAB C[C@H](NC(=O)NCc1ccc(CN2CCCCC2)cc1)c1ccc(F)c(F)c1 24971219 LSGXKNIBHKOAPZ-INIZCTEOSA-N 387.474 4.511 0 40 GJAB Cc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(Br)cc3)c2C)cc1 28229085 LEQLIGQPZQNDOS-UHFFFAOYSA-N 398.304 4.871 0 40 GJAB CCOC(=O)c1cc(NC(=O)CSCc2ccc(F)cc2)ccc1Cl 30751048 KPKIUUCMGKZHQV-UHFFFAOYSA-N 381.856 4.528 0 40 GJAB Cc1nnc(NC(=O)c2ccc(-c3ccc(Br)cc3)s2)s1 32922799 OGYICJIIRHHJTN-UHFFFAOYSA-N 380.292 4.590 0 40 GJAB Cc1cccc(NC(=O)[C@@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)c1 33290455 ZJKNOOLRQPPGEK-MRXNPFEDSA-N 386.455 4.540 0 40 GJAB Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 38716158 ZCNPTWNWPWZKLN-UHFFFAOYSA-N 379.485 4.559 0 40 GJAB C=C1c2ccccc2C(=O)N1CCC(=O)N(Cc1ccco1)c1ccc(C)cc1 40033800 SUXZIZUDWYMWCX-UHFFFAOYSA-N 386.451 4.638 0 40 GJAB Cc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)cc1C 41076952 QQXPDYFDXWMBTR-UHFFFAOYSA-N 377.488 4.835 0 40 GJAB CC(=O)Nc1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1C 44047222 FPRSUTFWFSLLMH-INIZCTEOSA-N 392.459 4.506 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 44937379 SFFWFGGZNXXPSZ-QHCPKHFHSA-N 391.515 4.766 0 40 GJAB Cc1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)n(C(C)(C)C)n1 47234133 KFEPGFDMGBRMCC-UHFFFAOYSA-N 388.924 4.905 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1cccc2c1CCCC2 51364438 UKDFYJYCFBLERA-HXUWFJFHSA-N 384.479 4.724 0 40 GJAB c1ccc(CN2CCN(c3ncnc4sc(-c5ccccc5)cc34)CC2)cc1 58159195 YUZKYJRBMCCZFH-UHFFFAOYSA-N 386.524 4.681 0 40 GJAB CCCOc1cccc(C(=O)Nc2ccc3nc(NC(=O)CC)sc3c2)c1 59294028 MLMMUNLEJOUHOT-UHFFFAOYSA-N 383.473 4.686 0 40 GJAB Cc1ccc(-n2nc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)cc1 64949586 HIZXPCAFDVTKCA-UHFFFAOYSA-N 394.434 4.720 0 40 GJAB Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72219215 PKZXVKVKPNZGGY-NRFANRHFSA-N 379.504 4.854 0 40 GJAB CCc1ncc(CN2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)cn1 72350246 XLKAIZQKKYPVMT-LJQANCHMSA-N 376.479 4.620 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCSC[C@@H]1c1ccc(Cl)cc1 78814157 JDPAWMCRBTZKDE-GUDVDZBRSA-N 375.896 4.899 0 40 GJAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)c2c1 84208089 DHCJKDBNTGESOA-UHFFFAOYSA-N 383.442 4.844 0 40 GJAB CC1=C[C@@H](C)[C@@H](CN(C2CCCCC2)S(=O)(=O)c2ccc(N)cc2)[C@H](C)C1 101872723 GMXNCELBMADRND-JBYIUTFZSA-N 390.593 4.831 0 40 GJAB CC(=O)c1cc(C)ccc1OC(=O)c1cc(Br)ccc1OC(C)C 113839193 YVOZJWIHCAUZNW-UHFFFAOYSA-N 391.261 4.967 0 40 GJAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)/C=C\c3cccs3)C2)n1 220793022 UPAQEIBZAHFVSS-QXPKXGMISA-N 393.512 4.601 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(SC(C)C)s2)c1 222813385 MSTVSXUHUPUMHC-CYBMUJFWSA-N 379.551 4.876 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223106507 GGCAZBFGUKFZTH-RTWAWAEBSA-N 381.516 4.999 0 40 GJAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccc(Cl)cc3)cn2)C1 223930677 VKVGNJZXMLBVOJ-GASCZTMLSA-N 388.968 4.704 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(CN2CCCCC2)c1 224683533 AZDKIRIKMJWNHU-HSZRJFAPSA-N 394.559 4.763 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSCc3ccccc3C)cc2)n1 225287238 NSUIORDUPQYELD-UHFFFAOYSA-N 393.556 4.520 0 40 GJAB COc1cc(N)cc(Cl)c1NC(=O)COc1c(C)cc(Cl)cc1Cl 227156882 OUGMFEGDGYUWLJ-UHFFFAOYSA-N 389.666 4.564 0 40 GJAB CC(C)(C)C(=O)N1CCC[C@@H]1c1ccc(C(=O)O)c(CCCc2ccccc2)n1 257291153 QFWZTNYTJZWJNY-OAQYLSRUSA-N 394.515 4.665 0 40 GJAB COc1ccc(OCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 408619993 GARYUMIGQYRRCO-UHFFFAOYSA-N 390.464 4.989 0 40 GJAB CC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 408625530 YLAGOOAHEIPXFR-UHFFFAOYSA-N 397.887 4.578 0 40 GJAB CCCCCC(=O)NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1 408626387 GXJKSWHIVKLGFE-UHFFFAOYSA-N 381.501 4.566 0 40 GJAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3O)nc2c1 408628447 UAXBXGULGUEQIX-UHFFFAOYSA-N 397.500 4.622 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cccc(C)c2)cc1 408698973 QMLXFUXQCNFPDV-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](OCC(F)(F)F)C1 560487160 TWFYUFHNUFVAHH-FRRDWIJNSA-N 396.236 4.667 0 40 GJAB CCn1c(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)nc2cc(C(=O)O)ccc21 581196271 MZHUYILVBWYHGW-SFHLNBCPSA-N 389.499 4.523 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1ccc(F)cc1Cl 585148315 YEBGNSFVQFQBNT-CYBMUJFWSA-N 381.881 4.733 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCC3CCCC3)cc2)cc1 734154 NOOOTSRPZDRBAU-UHFFFAOYSA-N 386.517 4.705 0 40 GJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)n12 929687 LGLJCSNNPZIFIU-CALCHBBNSA-N 396.560 4.689 0 40 GJAB Cc1cc(OCc2ccc(C(=O)n3nc(C)c(Cl)c3C)o2)ccc1Cl 1083462 QMDBWXMLZBSWDE-UHFFFAOYSA-N 379.243 4.976 0 40 GJAB Cc1cccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)c1C 2251959 FIURYKKNJIZYSN-UHFFFAOYSA-N 388.471 4.728 0 40 GJAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc2ccccc2c1 2680396 MRMFJXANAXTTPS-UHFFFAOYSA-N 386.451 4.635 0 40 GJAB COc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccccc3c2=O)cc1 2691866 BYBSYZNCFFIGPL-UHFFFAOYSA-N 383.447 4.598 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 3334261 RYAAISFFFZYDJP-UHFFFAOYSA-N 386.495 4.939 0 40 GJAB CC(C)Cc1nnc(NC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)s1 3358053 JHPIZNLECJJMBT-CYBMUJFWSA-N 380.517 4.662 0 40 GJAB O=C(COC(=O)c1cncc(Br)c1)c1ccc(-c2ccccc2)cc1 3466721 KVIRKOVSYRTFJD-UHFFFAOYSA-N 396.240 4.551 0 40 GJAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(Oc2ccccc2)cc1 3598909 ZSTYPPLWBANRAT-UHFFFAOYSA-N 387.391 4.603 0 40 GJAB biogenic Cc1ccccc1NC(=O)CN1C(=O)C[C@@H](c2ccco2)Sc2ccccc21 4162777 NXQKUPGWAZXKRW-FQEVSTJZSA-N 392.480 4.797 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1Cl 4548611 VCJGCGXOAQCLPU-UHFFFAOYSA-N 377.828 4.568 0 40 GJAB CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 4597470 HHZXLLAYHLGEBG-FQEVSTJZSA-N 394.906 4.847 0 40 GJAB OCCn1c(CSc2nc3ccccc3s2)nc2ccc(Cl)cc21 5629336 KRXGGDXEEYXADJ-UHFFFAOYSA-N 375.906 4.584 0 40 GJAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2c(c1)OCO2 5937655 QRCKFYKXYKQYLC-HSZRJFAPSA-N 399.402 4.678 0 40 GJAB Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1NC(=O)c1ccco1 6111500 YTKJBSIHCZWWDP-UHFFFAOYSA-N 378.472 4.539 0 40 GJAB COc1ccc(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1 6235572 VWENSDYSSOZOGE-UHFFFAOYSA-N 388.183 4.658 0 40 GJAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc(F)c1 6535846 WKXQNICRUUNGLO-UHFFFAOYSA-N 394.789 4.532 0 40 GJAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)C1=O 6629530 KAOHUCQPDAERIY-CPNJWEJPSA-N 384.501 4.939 0 40 GJAB CCCCn1c([C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 6753168 YIDLUPQYEQHHSI-KRWDZBQOSA-N 377.488 4.756 0 40 GJAB COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)cc1 6995369 YQFFOYPOAFSCPX-XMMPIXPASA-N 375.468 4.542 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CCC3 7124117 XMXZBBAWJZWECC-CYBMUJFWSA-N 383.542 4.916 0 40 GJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(s1)CCCC2 7408052 VJBAIBUXFYYMEB-UHFFFAOYSA-N 397.327 4.644 0 40 GJAB O=C(Nc1cccc(Br)c1)c1ccc(OCc2cscn2)cc1 8007215 ZXLIGIIEJVMOHI-UHFFFAOYSA-N 389.274 4.737 0 40 GJAB Cc1occc1-c1nnc(SCc2cc(=O)oc3cc4c(cc23)CCC4)o1 9048726 IZASQFWIQBPSDP-UHFFFAOYSA-N 380.425 4.525 0 40 GJAB Cc1c(C(=O)Nc2onc3c2C[C@H](C)CC3)oc2cc(Br)ccc12 9183929 UCYBUCAWTHDJDE-SECBINFHSA-N 389.249 4.869 0 40 GJAB CCCNc1nc(Nc2ccc(OCC)cc2)c2cnn(-c3ccccc3)c2n1 9573565 PECFRHTWKREOBA-UHFFFAOYSA-N 388.475 4.780 0 40 GJAB CCN(Cc1ccccc1)c1ncnc2c1cnn2-c1ccc(Cl)cc1C 9627558 OXHMHAKYZZIXAL-UHFFFAOYSA-N 377.879 4.804 0 40 GJAB CC[C@@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 10423621 QBVQGOXYUHNSPF-LJQANCHMSA-N 395.890 4.593 0 40 GJAB O=C(CSc1ccc(Br)cc1)N1CCSc2ccccc21 11341130 ARAZKBKORGRAEA-UHFFFAOYSA-N 380.332 4.680 0 40 GJAB COc1ccc([C@@H]2CN(CC[C@H](C)c3ccccc3)C[C@H]2c2cc[nH]n2)cc1 12128610 OHVZUWNNJBJBAY-OFAXGOBFSA-N 375.516 4.795 0 40 GJAB Cc1nc2cc(C(=O)NC3(c4ccc5c(c4)OCO5)CCCC3)ccc2s1 12155678 FYXZGNMPOXAZLJ-UHFFFAOYSA-N 380.469 4.533 0 40 GJAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](CCc3ccccc3)[C@H]1[C@H]2C 12653844 FCPKYEAPHJRRQX-AGLCIYDFSA-N 385.548 4.987 0 40 GJAB biogenic Cc1csc(N(C(=O)COc2ccc(F)cc2Cl)c2ccccc2)n1 12776975 HRHVETKRBLUZEP-UHFFFAOYSA-N 376.840 4.988 0 40 GJAB CCc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1 12983773 PFPXVXDFXBSCCS-UHFFFAOYSA-N 389.377 4.889 0 40 GJAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)ccc1Cl 13709370 UCMCKVGZFAIAQZ-CYBMUJFWSA-N 383.831 4.686 0 40 GJAB COc1ccc2[nH]cc(CCNC(=O)c3sc(-c4ccccc4)nc3C)c2c1 13732664 XHDWWZUWZASXGT-UHFFFAOYSA-N 391.496 4.581 0 40 GJAB Cc1ccc(C2=NN(C(=O)CN[C@@H](C)c3cccs3)[C@H](c3ccco3)C2)cc1 14125521 GPHQCXIJNZUBEM-LPHOPBHVSA-N 393.512 4.678 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 14398270 PFNHHAYBRAZFBX-HNNXBMFYSA-N 388.895 4.666 0 40 GJAB C[C@H](OC(=O)c1cccnc1Oc1ccccc1)C(=O)c1ccc(F)c(F)c1 14853026 UPUYTNGMIMWWCH-ZDUSSCGKSA-N 383.350 4.580 0 40 GJAB C[C@H](SCc1ccccc1Br)C(=O)Nc1cc(F)ccc1F 15493175 FYTGEIZEEKEQEA-JTQLQIEISA-N 386.261 4.988 0 40 GJAB O=C(C1CCC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373176 PIVIVKGHOYPGNM-OAQYLSRUSA-N 399.498 4.746 0 40 GJAB CCOC(=O)c1sc(NC(=O)c2occc2COc2ccccc2)cc1C 23039011 KYXVTULBUSBWGJ-UHFFFAOYSA-N 385.441 4.658 0 40 GJAB O=C(Nc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1)c1ccccc1 24839044 DEPIVODPVWJELO-UHFFFAOYSA-N 385.467 4.791 0 40 GJAB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(CSC(F)F)o2)cc1 32770935 BNFCVUMXDKKIRL-UHFFFAOYSA-N 382.432 4.972 0 40 GJAB O=C(NCc1ccc(F)c(Cl)c1)c1sc2ncccc2c1-n1cccc1 33297999 GSYXLJSLAOGJOB-UHFFFAOYSA-N 385.851 4.810 0 40 GJAB COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39424683 SSLSTGAIHLCJQK-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB Cc1c(C(=O)N(C)Cc2nc3ccccc3s2)oc2c1C(=O)CC(C)(C)C2 40115462 UCWMJSCXJGLICO-UHFFFAOYSA-N 382.485 4.625 0 40 GJAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(OCC(F)(F)F)nc1 61521957 DJJHDOLYPNELBO-CYBMUJFWSA-N 385.411 4.626 0 40 GJAB C[C@@H]1CCCN(C(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)CC1 63273469 DAMGNKRPORBFLW-OAHLLOKOSA-N 397.544 4.536 0 40 GJAB C[C@@H](Oc1ccc(F)cc1)c1nnc(C2(c3cccc(F)c3)CCOCC2)o1 71889865 ADEKJJOFHHHJJU-CQSZACIVSA-N 386.398 4.584 0 40 GJAB Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)cnc1N1CCCCC1 72219155 VRVUQVMYGZYTPL-NRFANRHFSA-N 379.504 4.854 0 40 GJAB CCn1ccnc1CNC1(Cc2ccc(Br)cc2)CCCCC1 72294567 REHWMNCVEDGXMM-UHFFFAOYSA-N 376.342 4.701 0 40 GJAB O=C(Cc1ccccc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72349014 GRBGAKNNFDJZEB-UHFFFAOYSA-N 388.486 4.760 0 40 GJAB FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 72358587 DAZKYMHURASUOM-GOSISDBHSA-N 398.432 4.937 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)C12CCCCC2 79490120 HZOMXGBUPNABIJ-UWJYYQICSA-N 391.515 4.761 0 40 GJAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1ccc(=O)[nH]c1 84442255 XLPOOGMAXOFFPL-UHFFFAOYSA-N 385.495 4.541 0 40 GJAB CCOc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)n[nH]2)cc1OCC 85385162 FUWGGWKYQWXCJX-UHFFFAOYSA-N 377.366 4.955 0 40 GJAB Cc1cc(CN(C)[C@@H](CCO)c2ccccc2)nc(-c2ccc(Cl)cc2)n1 89600661 NLUHEAHCFMLPLR-NRFANRHFSA-N 381.907 4.661 0 40 GJAB O=C(Nc1cccc(Cl)c1F)c1ccc(-c2noc(C(F)(F)F)n2)cc1 95951165 UHEQIPXULUPPOP-UHFFFAOYSA-N 385.704 4.800 0 40 GJAB O=C(Nc1ccc(-c2ccccn2)cn1)c1ccccc1SC[C@H]1CCCO1 95977617 OMTCKDZZRASMPI-QGZVFWFLSA-N 391.496 4.667 0 40 GJAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(Cl)cc1Cl 96231743 PJIFYYREUUYDGG-UHFFFAOYSA-N 376.243 4.545 0 40 GJAB Cc1ccc(N2CCC(C(=O)NCCSc3ccc(Cl)cc3)CC2)cc1 219851157 CSLXKXGMLLNMSQ-UHFFFAOYSA-N 388.964 4.773 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(OC(C)C)cc1 222996294 IZYJKKQGMFHJMV-HSZRJFAPSA-N 383.532 4.997 0 40 GJAB COc1cc(C)c([C@@H](C)NC(=O)CCc2ccc3c(c2)OCO3)cc1C(C)C 223369149 CKIHDESTYHLPJR-MRXNPFEDSA-N 383.488 4.666 0 40 GJAB O=C(CSCc1cccc(Cl)c1)NCCOc1cccc2ccccc12 223509103 ZWAXQLBZJJIVAY-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 223843767 IIOUOASNGBAFPZ-DLBZAZTESA-N 387.917 4.679 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224160797 UFCNTOZZXUTNFE-VQTJNVASSA-N 376.529 4.815 0 40 GJAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224288018 FCYZCGRXDVYTIJ-JOCHJYFZSA-N 394.559 4.650 0 40 GJAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1 224365317 YHZUCEBNROWPFO-UHFFFAOYSA-N 375.468 4.937 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2ccccc2Cl)no1 225810630 NCVAQRHGUDPMNR-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB Cn1cnc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc21 225892500 SFWWDZPXMJDHDO-UHFFFAOYSA-N 389.842 4.710 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)s1 306136869 QFHUTEIZBMAZLZ-LJQANCHMSA-N 388.496 4.744 0 40 GJAB CCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(Br)cc1 408589232 ZHRXCPQAGMAEGX-UHFFFAOYSA-N 397.652 4.541 0 40 GJAB Cc1ccc(NC(=O)c2cccc(OC(=S)N3CCC(C)CC3)c2)cc1C 408722956 YIERDGQELFABOX-UHFFFAOYSA-N 382.529 4.951 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)c1 409094967 APNHXJBDXCUHNF-UHFFFAOYSA-N 394.544 4.949 0 40 GJAB O=S(=O)(c1cccs1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575443142 PLIBTBHAHNYJQU-UHFFFAOYSA-N 396.497 4.669 0 40 GJAB CC(C)n1nc(-c2ccco2)cc1NC(=O)c1cccc(Nc2ncccn2)c1 684096119 NLDYFFOPJMHMDI-UHFFFAOYSA-N 388.431 4.510 0 40 GJAB Cn1cc(Cl)cc1C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 1137542420 YNVMPCHPBSYGDX-SFHVURJKSA-N 377.246 4.990 0 40 GJAB C[C@@H](c1ccccc1Br)N(C)S(=O)(=O)c1cc2ccccc2o1 1188507571 LBWZBDSTUJFONW-LBPRGKRZSA-N 394.290 4.577 0 40 GJAB CNC(=O)c1cc(Oc2ccc3nc(NC4=C(O)CCCC4)sc3c2)ccn1 1560406755 XGDXHADCFFALOH-UHFFFAOYSA-N 396.472 4.599 0 40 GJAB CCOc1ccc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 784673 RWJRTXHDJKRQOK-UHFFFAOYSA-N 387.530 4.746 0 40 GJAB COc1ccc(OC)c(NC(=O)CSc2nc3cc(C)ccc3cc2C)c1 875690 NKBCBCVLBOTEGD-UHFFFAOYSA-N 382.485 4.600 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 882305 KDACLEACOYBIRG-KRWDZBQOSA-N 387.549 4.917 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nnc2c(C)cc3cc(C)c(C)cc3n12 1223254 RBRKYCZTYDBGPP-SFHVURJKSA-N 396.560 4.691 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c(C)c1 1368500 YUPQBMAVHUZKAV-UHFFFAOYSA-N 393.468 4.771 0 40 GJAB CC(C)Cc1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1CCC2 2214684 ODDPJRVMUOABQZ-ZDUSSCGKSA-N 382.533 4.518 0 40 GJAB COc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 2315996 ALVYRSYIRLSRNB-UHFFFAOYSA-N 386.451 4.541 0 40 GJAB O=S1(=O)c2ccccc2N[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 2502951 SZHLPGLUPQWROW-FQEVSTJZSA-N 384.888 4.655 0 40 GJAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(Br)s1 2641602 GDXBVQHKQHYXHW-UHFFFAOYSA-N 390.671 4.528 0 40 GJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 2738420 RFBIZUBHMFJOBS-CYBMUJFWSA-N 388.508 4.780 0 40 GJAB C[C@@H]1CCc2c(sc3ncnc(OCC(=O)c4ccc(Cl)s4)c23)C1 3312550 BBSRGYVLCVGULC-SECBINFHSA-N 378.906 4.793 0 40 GJAB COc1ccccc1C1=C(c2sc(C)nc2-c2ccc(C)cc2)C(=O)OC1 3351343 VFCDOSWGFXUWAP-UHFFFAOYSA-N 377.465 4.903 0 40 GJAB CCCc1ccc(-c2csc(NC(=O)c3ccc(NC(N)=O)cc3)n2)cc1 3444620 KUIGLGBUAKPOQB-UHFFFAOYSA-N 380.473 4.506 0 40 GJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1Cc1ccccc1 4033496 RLYQKLAESVUCLX-NRFANRHFSA-N 381.479 4.601 0 40 GJAB Cc1ccc(-c2nsc(SCC(=O)N3CCCc4ccccc43)n2)cc1 4167320 KJBBLLPEHOAFAU-UHFFFAOYSA-N 381.526 4.585 0 40 GJAB CCOC(=O)Cn1c(-c2cc(C)ccc2C)cs/c1=N\c1ccc(F)cc1 4492464 LLWOESLKEFQFDO-LNVKXUELSA-N 384.476 4.768 0 40 GJAB COc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)cc1 4659924 YUTLIATUDVGWNE-UHFFFAOYSA-N 398.821 4.992 0 40 GJAB CCCCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2cccc(C)c2)s1 4982522 WMSLPYDIBYSHCZ-UHFFFAOYSA-N 395.528 4.898 0 40 GJAB CCSc1nnc([C@H]2CCCN2C(=O)[C@H](c2ccccc2)C2CCCC2)n1C 5001648 FYDQXIYEGKWOOA-RTBURBONSA-N 398.576 4.565 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(Cl)cc2)CC1 5331318 PETHDZCVWLIFIV-UHFFFAOYSA-N 383.801 4.713 0 40 GJAB Cc1cccc(C)c1OC[C@@H](O)Cn1c(Cc2ccccc2)nc2ccccc21 5588414 KAMFCOUZNINTFZ-NRFANRHFSA-N 386.495 4.684 0 40 GJAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CSc1nnc(-c2ccccc2)n1C 5786773 GSCFOBIGTCHCFF-RYQLBKOJSA-N 387.549 4.578 0 40 GJAB CS(=O)(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 7109583 HAQFRLKSNDXKOU-UHFFFAOYSA-N 379.894 4.579 0 40 GJAB CCOC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1cccc(C)c1 7141070 WRPPQPIDWHMSSQ-UHFFFAOYSA-N 377.469 4.943 0 40 GJAB COc1ccc(C)cc1-n1c(SCc2cc(C)on2)nnc1-c1cccs1 7371209 QZBQWZWTNGPIOD-UHFFFAOYSA-N 398.513 4.902 0 40 GJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(F)c(F)c1 7763575 IXGYJJIHGQMDRF-UHFFFAOYSA-N 377.441 4.595 0 40 GJAB Clc1ccc(OCc2nnc(SCc3cc(-c4ccco4)on3)o2)cc1 8276960 GBZBYIHQQZWRNZ-UHFFFAOYSA-N 389.820 4.842 0 40 GJAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1C 8959082 WOYAGQZPWAVUCD-UHFFFAOYSA-N 394.515 4.963 0 40 GJAB Cc1ccc(C(C)C)c(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c1 10119472 GSLNWUWGBCHZJJ-UHFFFAOYSA-N 397.544 4.840 0 40 GJAB CCN(CC)CCN(C(=O)C1CCCCC1)c1nc2cc(OC)ccc2s1 12140891 GDZHYUSOIAUSJO-UHFFFAOYSA-N 389.565 4.560 0 40 GJAB Cc1cc(-c2cnc(NCCCN3CCC[C@H](C)C3)nc2-c2ccoc2C)on1 12251499 CYGMSPDOGMNYCU-HNNXBMFYSA-N 395.507 4.542 0 40 GJAB CC[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 12601303 LJQFVQSEXYJMQU-LJQANCHMSA-N 396.494 4.858 0 40 GJAB Cc1noc(C)c1CSCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12603064 QRALXHHRWYNHNQ-UHFFFAOYSA-N 392.484 4.707 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1F 12928246 GAPHGYGHFUBMPK-UHFFFAOYSA-N 380.341 4.754 0 40 GJAB O=C(CSc1nnc(C2CC2)o1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 14244600 WBIHFRWZMAAFLI-GOSISDBHSA-N 399.903 4.598 0 40 GJAB Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2ccc(Cl)cc2)cc1 16311551 WCLXDWYQNNRQAI-UHFFFAOYSA-N 388.862 4.626 0 40 GJAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C 17206811 SDQNQTAIUAGGQL-CRLGVJNESA-N 383.576 4.859 0 40 GJAB O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19292800 DJNOBYJDSWWGSD-SFHVURJKSA-N 384.842 4.632 0 40 GJAB O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(C3CCCC3)CC[C@H]21 19347717 MCNRLSYQNOBDCW-KCZVDYSFSA-N 398.547 4.760 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)c1 27915849 HTYZQMXSSWLEAT-UHFFFAOYSA-N 375.856 4.698 0 40 GJAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1Cl 32069821 PHVWCNNPEDWJNM-INIZCTEOSA-N 380.835 4.683 0 40 GJAB COc1ccc([C@H]2CCCN2CCC(=O)Nc2ccccc2Cl)c(OC)c1 32869476 GSBGLZVHBQLCMT-LJQANCHMSA-N 388.895 4.523 0 40 GJAB CCCCCn1nc(C(=O)N(C)Cc2ccccc2Cl)c2ccccc2c1=O 32962327 HSCMXZXYOGVOQM-UHFFFAOYSA-N 397.906 4.512 0 40 GJAB COc1cccc([C@@H](CNC(=O)c2ccc(Cl)cc2Cl)N2CCCC2)c1 33028435 YAUGTYUMDWCMPY-LJQANCHMSA-N 393.314 4.569 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3c4ccccc4C[C@H]23)cc1 33795178 FNOCMOFJNDJIFM-WWNPGLIZSA-N 399.446 4.642 0 40 GJAB OCc1ccc(OCc2cccc3ccccc23)c(I)c1 34772786 HSNFKOAKIBFIIE-UHFFFAOYSA-N 390.220 4.516 0 40 GJAB COc1cc([C@H]2O[C@H]3CCCC[C@H]3c3cc4c(cc32)OCO4)cc(OC)c1OC 35741615 LOKJUZWMHIWIBX-ICSGCJEQSA-N 398.455 4.587 0 40 GJAB COc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccc(F)cc1)OC2=O 36635955 AUEHXPLGVMEBOR-NRFANRHFSA-N 391.398 4.541 0 40 GJAB O=C(CSCc1ccc(Br)cc1)N[C@H]1CCCc2ccccc21 38757210 ADGORLFEWAGMQV-SFHVURJKSA-N 390.346 4.876 0 40 GJAB Cc1cc(C)n(-c2nc3cc4sc(-n5nc(C)cc5C)nc4cc3s2)n1 45891150 KYKNXLAMMXDKBI-UHFFFAOYSA-N 380.502 4.511 0 40 GJAB CC(=O)Nc1cccc2c1CCN(C(=O)Nc1cc(Cl)ccc1Cl)C2 56531101 NGHMMTNSBSOIMX-UHFFFAOYSA-N 378.259 4.542 0 40 GJAB O=C(NCc1noc(-c2cccs2)n1)c1ccc(-c2ccccc2F)s1 58282186 TVAKBCUEHYVJQU-UHFFFAOYSA-N 385.445 4.596 0 40 GJAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 59500385 YSLRGAYAMFNPGA-ZCOIRKDISA-N 393.486 4.956 0 40 GJAB biogenic Cc1ccc(Cn2ccn3nc(-c4cccc5ccccc45)cc3c2=O)cc1C 67260730 VXDXRRGDOSMLCE-UHFFFAOYSA-N 379.463 4.981 0 40 GJAB CN(C)CCOc1ccc(NC(=O)N[C@H](c2cccs2)C2CCCC2)cc1 71808640 YLTXRRGJZWBKRG-FQEVSTJZSA-N 387.549 4.742 0 40 GJAB O=C(CSCc1ccccc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200152 PTGYVFSGJHTHRH-PMACEKPBSA-N 398.528 4.596 0 40 GJAB CCCCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cn2)c(O)c2ccccc21 100543087 ATFGEMABSPXCTL-UHFFFAOYSA-N 399.878 4.588 0 40 GJAB Cc1ccc(Oc2ccc(-c3noc([C@@H]4[C@H]5C[C@H]6OC(=O)[C@@H]4[C@H]6C5)n3)cc2)cc1 103027216 LCVTXKPVIPUEBE-PBOLBBRVSA-N 388.423 4.502 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 103420008 HQEIXRPSZKYMIC-FAGZOMQFSA-N 391.467 4.521 0 40 GJAB O=C1C[C@@H]2C[C@@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104105614 WGDFXKOCGPJSKU-KXYIZNBCSA-N 380.913 4.673 0 40 GJAB CCOC(=O)c1cc(NC(=O)COc2ccccc2C(C)C)ccc1Cl 222811456 WKVZJHGKSBVURU-UHFFFAOYSA-N 375.852 4.658 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 223031090 QGCJXMGALJGKCY-OXQOHEQNSA-N 375.896 4.698 0 40 GJAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2cc(C)ccc2C)cc1C(C)C 223374997 FRODGIIJAXYSTB-KRWDZBQOSA-N 375.534 4.783 0 40 GJAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1 224094067 CIBBPAHXFOYCHA-INIZCTEOSA-N 379.431 4.904 0 40 GJAB O=C(NC[C@@H]1CCCO1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224958993 PYARJPHMLRGBBF-INIZCTEOSA-N 382.847 4.571 0 40 GJAB Fc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5ccco5)C4)nn3c2)c1 306135690 OXXDVTNPSCWADQ-SFHVURJKSA-N 376.435 4.508 0 40 GJAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 408841569 JWALVTWOWKGDRT-CPNJWEJPSA-N 377.806 4.709 0 40 GJAB CCCN1C(=O)N/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 409228596 ZTWZWZAKPPABCA-RCCKNPSSSA-N 386.451 4.722 0 40 GJAB O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N(CC1CC1)C1CCC1 527280637 UDUFVXMHGLBRIQ-UHFFFAOYSA-N 396.491 4.540 0 40 GJAB CCc1ccccc1NC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 882865 YADFATVNWRBZDI-UHFFFAOYSA-N 392.528 4.530 0 40 GJAB CCc1ccccc1/N=C1\S/C(=C\c2cc(OC)ccc2OC)C(=O)N1CC 1015405 PDCCCUSGCZTMKO-DJOYVXLESA-N 396.512 4.890 0 40 GJAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1)Oc1ccccc1 1058012 ONUNWYLPLQNNSR-JOCHJYFZSA-N 399.450 4.506 0 40 GJAB biogenic Cc1cc2c(c(SCc3ccc(F)cc3)n1)C(=O)N(Cc1ccccc1)C2=O 1405558 ZHSVFUHVFZSXGZ-UHFFFAOYSA-N 392.455 4.618 0 40 GJAB Oc1cccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccccn4)cs3)n2)c1 1414037 WUKVJPYDALYFDR-UHFFFAOYSA-N 388.374 4.782 0 40 GJAB O=C(Cc1ccc(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 2640939 YAFRHCCWGCCJOP-UHFFFAOYSA-N 383.706 4.538 0 40 GJAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccc(OC)cc4)o3)c[nH]c12 2663753 RLCLKNQXIJXZQQ-UHFFFAOYSA-N 393.468 4.764 0 40 GJAB COc1ccc(OC)c(NC(=O)COc2ccc(Oc3ccccc3)cc2)c1 3196647 ZWPGDHKVZKYVER-UHFFFAOYSA-N 379.412 4.514 0 40 GJAB CCCCCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(C)c(F)c3)ccc2c1=O 3631145 ITXLGOKYBFDPIF-UHFFFAOYSA-N 399.491 4.949 0 40 GJAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccc(C(F)(F)F)cc1 4167270 MLPUISAZOJFFPO-UHFFFAOYSA-N 395.431 4.955 0 40 GJAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1ccccc1F 4320289 URTNNMWFHBJLMF-UHFFFAOYSA-N 393.805 4.635 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1cccc(N2Cc3ccccc3C2)c1 4707405 XCDQGGSNGHFSQJ-UHFFFAOYSA-N 378.859 4.878 0 40 GJAB Cc1cc(NC(=O)COc2cc(Cl)ccc2Cl)n(-c2ccccc2)n1 4956161 YPNSTPCXWMYVQQ-UHFFFAOYSA-N 376.243 4.505 0 40 GJAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 5676077 AWTWGKCGSLLTPW-YVLHZVERSA-N 389.860 4.594 0 40 GJAB CC(C)N(C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 5859994 TZVKPSGOEZUOKK-UHFFFAOYSA-N 386.908 4.659 0 40 GJAB CCCCc1ccc(C(=O)N2CCc3cc4c(cc3[C@H]2C)OCCCO4)cc1 6719871 XHMMFFVIWUJGTG-QGZVFWFLSA-N 379.500 4.950 0 40 GJAB biogenic COc1ccccc1N1C(=O)/C(=C\Nc2ccc(C)cc2)c2ccccc2C1=O 6814265 DFVBEJMHEHPYFY-HKWRFOASSA-N 384.435 4.644 0 40 GJAB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc2c(c1)OCO2 6882564 IKNMQOMFNCIIHH-UHFFFAOYSA-N 376.343 4.615 0 40 GJAB Cc1cccc(NC2=NN=C(c3cc(C)n(C[C@H]4CCCO4)c3C)CS2)c1 7849867 FSSBPIQZPUNYQT-GOSISDBHSA-N 382.533 4.511 0 40 GJAB CC[C@@H](CO)NCc1cc(Br)ccc1OCc1ccccc1Cl 8326319 LBZSWYDOLDHCDW-INIZCTEOSA-N 398.728 4.542 0 40 GJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)Cc3ccc(F)cc3)ccc1O2 9135362 XANKCUVYDRVKND-UHFFFAOYSA-N 390.414 4.698 0 40 GJAB COc1cc(NC(=O)CSCc2cc(C)cc(C)c2)c(OC)cc1Cl 11039068 XWWWBOMUKRTUHV-UHFFFAOYSA-N 379.909 4.846 0 40 GJAB O=C(NCc1ccccc1Cn1ccnc1)c1sc2cc(F)ccc2c1Cl 12535305 WJBNQROFBXKARZ-UHFFFAOYSA-N 399.878 4.869 0 40 GJAB CCCn1c2ccccc2c2nnc(S[C@@H](C)c3nc(C(C)(C)C)no3)nc21 12540488 WKVFLIBYBDYWLN-LBPRGKRZSA-N 396.520 4.923 0 40 GJAB COc1cc(C(=O)N[C@@H](c2ccccc2)c2cccs2)ccc1OC(F)F 12775124 KIUNQVYDXXSLBA-SFHVURJKSA-N 389.423 4.878 0 40 GJAB CCN(C(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1nc2ccccc2s1 14702143 JAKSGWHFZBBSTH-UHFFFAOYSA-N 386.345 4.587 0 40 GJAB CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1CCc1ccccc1)c1ccccn1 19081704 LRGFKSWVIAQCKE-GMAHTHKFSA-N 393.575 4.772 0 40 GJAB FC(F)(F)c1nc2nc(-c3ccc(Cl)cc3)cc(-c3ccncc3)n2n1 19960958 IIFOLYYQOOAFHD-UHFFFAOYSA-N 375.741 4.526 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccccc1F 22072352 MCQNIGXMJUEXPV-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB c1cncc(-c2nnc(SCc3csc(-c4ccco4)n3)n2C2CC2)c1 22988549 PHPJFXAMRGKBNK-UHFFFAOYSA-N 381.486 4.684 0 40 GJAB Cc1ccc2oc(C(=O)N(Cc3ccco3)Cc3cccs3)cc(=O)c2c1 24460236 SGNVZLCBICMKAS-UHFFFAOYSA-N 379.437 4.599 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 27267963 KOGCCWGSCJGTSQ-UHFFFAOYSA-N 390.487 4.726 0 40 GJAB O=C(Nc1nc(CN2CCCC2)cs1)c1ccc(-c2ccc(Cl)cc2)o1 32719541 RHMCIQZTDZUQDA-UHFFFAOYSA-N 387.892 4.905 0 40 GJAB O=C(NCc1ccc2c(c1)OCCO2)[C@@H](Sc1ccccc1)c1ccccc1 32971854 HBASCNJYJFFCIU-QFIPXVFZSA-N 391.492 4.608 0 40 GJAB Oc1ccccc1-c1nc2ncccn2c1Nc1ccc(Br)cc1 35616553 LHIFENBPHYRTBC-UHFFFAOYSA-N 381.233 4.608 0 40 GJAB CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36357205 QLYMCBQGZCWQOZ-NRFANRHFSA-N 376.500 4.516 0 40 GJAB CC(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)c1 36616277 NZNABPDBDLCPKZ-UHFFFAOYSA-N 398.466 4.551 0 40 GJAB CCOc1ccc2nc(NC(=O)c3ccc(N4CCC(C)=N4)cc3)sc2c1 46761388 IYNBDQWEPMLKLY-UHFFFAOYSA-N 380.473 4.533 0 40 GJAB O=C1c2ccccc2N[C@H](c2csc(-c3ccccn3)n2)N1c1ccccc1 48375262 LDOXUDCXYWKCBS-FQEVSTJZSA-N 384.464 4.976 0 40 GJAB COc1ccc([C@H](NCC(=O)Nc2ccc(F)cc2Cl)c2ccccc2)cc1 58160448 QMVGOEGCICYEAD-JOCHJYFZSA-N 398.865 4.805 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1 59211013 AVDLFOYCEDLJAP-SNVBAGLBSA-N 399.082 4.618 0 40 GJAB Cc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccc(F)cc23)cc1Cl 64471659 KWNOYODOQDFDAB-UHFFFAOYSA-N 399.853 4.552 0 40 GJAB CNc1nc2c(s1)[C@H](c1cccc(OCc3ccc(Cl)cc3)c1)CC(=O)N2 66091359 YEQUNSXSDQVPSY-INIZCTEOSA-N 399.903 4.891 0 40 GJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)cc1F 67295531 JAKWBDZLMWAUBO-LVWGJNHUSA-N 376.387 4.636 0 40 GJAB CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)cc1 67296257 XIDUTVWFRFVMBL-BZZOAKBMSA-N 385.423 4.711 0 40 GJAB Cc1nc(S)sc1CC(=O)Nc1ncc(Cc2ccccc2Cl)s1 70019897 XFAHGPOKRLZCQU-UHFFFAOYSA-N 395.962 4.622 0 40 GJAB CCn1ccc(/C=C2\C[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)n1 71785077 AGPNLNWYOUSSOT-ASTPDVRASA-N 378.516 4.519 0 40 GJAB CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)cs1 72289892 OVNAEPGOVKORSW-MRXNPFEDSA-N 382.485 4.708 0 40 GJAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)c1cc(=O)c2ccccc2o1 72400491 ZMXVWYBLORBSJF-UHFFFAOYSA-N 397.390 4.714 0 40 GJAB O=C(N[C@H]1CCCCCC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 72481803 WWGXOZWLVAOLTC-IRLDBZIGSA-N 393.483 4.949 0 40 GJAB FC(F)(F)c1cc(NCc2nnc3n2-c2ccccc2CC3)c2ccccc2n1 89857668 XDQVOQQTYBQMBJ-UHFFFAOYSA-N 395.388 4.545 0 40 GJAB COc1ccccc1NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C 95959844 MYIBGNSGGLKZEB-UHFFFAOYSA-N 377.366 4.897 0 40 GJAB COc1ccc(CN2CCC3(CCCN(Cc4ccc(C)cc4)C3)CC2)cc1 96047379 UTZHUUUJOXHSLP-UHFFFAOYSA-N 378.560 4.882 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nc(-c2ccc(C)cc2)no1 98212200 LXJTUEPHTWGALG-QGZVFWFLSA-N 397.862 4.684 0 40 GJAB Cc1cccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1cccc(Cl)c1Cl)C2 100149200 LAUDPYYUXVDWKJ-IRXDYDNUSA-N 391.342 4.817 0 40 GJAB CCN(CC)c1ccc(C(=O)/N=c2\sc3c4ccccc4ccc3n2C)cc1 100842173 RDXVCYRBZPDNDD-VHXPQNKSSA-N 389.524 4.980 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1Cl 103718990 IUANGQYPDBQYOM-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118925923 WMUMZOAFCDOTRW-HWSNZBHWSA-N 390.564 4.686 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219331009 IYPIBQUXWDOLOD-RTWAWAEBSA-N 397.515 4.888 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc(Br)ccc2Cl)c1 225073581 MXXAJOQIXNABCH-UHFFFAOYSA-N 396.668 4.840 0 40 GJAB COc1ccc(CCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 225314289 MNEPHFBEZCDWPQ-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3ccc(O[C@H]4CCSC4)nc3)c2)cs1 225715471 RCVVZXHXXJSODU-KRWDZBQOSA-N 397.525 4.650 0 40 GJAB CC[C@@H](NC(=S)Nc1cc(C(=O)OC)ccc1Cl)c1ccccc1C 225758081 RLXKHCBQUKXHDM-MRXNPFEDSA-N 376.909 4.873 0 40 GJAB CCCC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)NCC)CC1 257292259 QKRVOIQOVSIGFE-UHFFFAOYSA-N 398.572 4.503 0 40 GJAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)CCc4ccccc4)[C@@H]3C[C@H]21 257298892 RNSGWVZOLROXIK-RKONGDRVSA-N 391.511 4.538 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](Cc3nccs3)C2)cc1 257318356 VNOGGYMDDDHELA-SFHVURJKSA-N 392.524 4.963 0 40 GJAB CC(=O)N[C@@]1(C)C[C@H](c2ccc(N3CCCC3)c(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257329519 XKHUSXBQDRFLJX-AQPSRAJWSA-N 388.527 4.587 0 40 GJAB Cc1cccnc1C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257333117 YAFMCTUYKYMJIJ-SFHVURJKSA-N 381.863 4.600 0 40 GJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 301819741 ZXSGEEPZSGCNOF-UHFFFAOYSA-N 390.936 4.740 0 40 GJAB O=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ncccc3o2)cc1 408626842 IURIUSIITMJMHA-UHFFFAOYSA-N 379.803 4.561 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)c1 408674477 ZQRJNKRJRVDRNB-NRFANRHFSA-N 385.463 4.544 0 40 GJAB Cc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 408911887 OVIMAPYAEXTIGJ-UHFFFAOYSA-N 390.357 4.514 0 40 GJAB CCOC(=O)C1=C(C)N=C(SCc2cccc(F)c2)N[C@@H]1c1ccccc1 408989113 JXNZLYDTHIAZRQ-LJQANCHMSA-N 384.476 4.597 0 40 GJAB COc1cc(C(=O)NCCc2nc(-c3ccccc3)c(C)s2)ccc1Cl 534670963 ACLVCUMNUDAZQM-UHFFFAOYSA-N 386.904 4.753 0 40 GJAB O=C(N[C@@H](c1cccnc1)C1CC1)c1ccc2cc(Br)ccc2c1 535449753 FANZEFOPVVVERQ-LJQANCHMSA-N 381.273 4.878 0 40 GJAB Cc1cc(C)cc(C(=O)N[C@H]2CC3(CCN(C(C)C)CC3)Oc3ccccc32)c1 585105948 UDCZFDNRFVGWOX-QFIPXVFZSA-N 392.543 4.800 0 40 GJAB O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(-c2ccco2)s1 1138233922 PTQOXTDSOOFCEW-IFMALSPDSA-N 399.487 4.651 0 40 GJAB C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CC[C@@H](Nc3ccccn3)CC2)C1 1544753090 ZOUNOJLIETYYOF-SGLNWRHMSA-N 381.495 4.801 0 40 GJAB Cc1nnc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3ccc(Cl)cc3)s2)o1 1548453688 BXTKROGMWGGNCH-NSHDSACASA-N 390.896 4.663 0 40 GJAB CCCCN1C(=O)N(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc21 1889139213 UTABLYGANKDDNP-UHFFFAOYSA-N 378.881 4.584 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)c(C)c1 882856 XGXLGRWDBYYFOM-UHFFFAOYSA-N 392.528 4.584 0 40 GJAB CCc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C)OCO3 929867 KWCPTMCTYYOPGP-UHFFFAOYSA-N 380.469 4.565 0 40 GJAB CCc1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1 2250031 HVXSIDABDAWEMB-UHFFFAOYSA-N 388.471 4.531 0 40 GJAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2OC(F)F)c1 2592821 GXLMXLKBPOLYBY-UHFFFAOYSA-N 394.443 4.594 0 40 GJAB Cc1ccc([C@@]2(C(F)(F)F)N=C3Sc4cc(C)ccc4N3C(=O)N2)cc1 3198187 ZIKIEHYMGHUZPY-KRWDZBQOSA-N 377.391 4.710 0 40 GJAB CC1CCN(c2nc(Nc3ccc(F)cc3)nc(Nc3ccc(F)cc3)n2)CC1 4898774 VKTWDLFLRPZANP-UHFFFAOYSA-N 396.445 4.873 0 40 GJAB COC(=O)c1c(NC(=O)CCSc2ccc(C)cc2)sc2c1CCCC2 5191316 REEUJFWHUCTXDI-UHFFFAOYSA-N 389.542 4.843 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)c(O)c1C 5343881 FZFDWCUNKYNUMW-UHFFFAOYSA-N 375.350 4.670 0 40 GJAB CCCCOc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1OC 5376168 GTHMHTUNFLVLQJ-UNOMPAQXSA-N 399.468 4.821 0 40 GJAB Cc1ccccc1C1=Nn2c(nnc2-c2ccc(Cl)cc2Cl)SC1 5576924 BUQPVKGMCKYDHI-UHFFFAOYSA-N 375.284 4.918 0 40 GJAB ClC(Cl)(Cl)C1=N[C@H](c2ccccc2)NC(C(Cl)(Cl)Cl)=N1 5604266 QXQICKWDHLVHMC-UHFFFAOYSA-N 393.916 4.826 0 40 GJAB CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 6630375 KXPUPCVVRCGQEH-ZVHZXABRSA-N 390.439 4.720 0 40 GJAB C[C@H]1CCN(C(=O)CSc2nc3ccccc3n2C)c2ccccc2S1 7191922 AKWXGYRLIWGQFC-AWEZNQCLSA-N 383.542 4.583 0 40 GJAB CCn1c(SCCOc2ccccc2OC)nnc1-c1ccc(Cl)cc1 7341957 OJVPINDPFAUWQM-UHFFFAOYSA-N 389.908 4.798 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(OC)c(Cl)c2)o1 7602302 ZXLDNHVBMKCKOQ-UHFFFAOYSA-N 378.885 4.559 0 40 GJAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(Cl)s1 8428982 IQBUWWKNOCHYME-UHFFFAOYSA-N 375.906 4.835 0 40 GJAB COc1cccc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 8488143 ILKHKYUSQJNWGF-UHFFFAOYSA-N 376.279 4.535 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1cccc2ccccc12 8704432 FJURHNIAMWUBDQ-UHFFFAOYSA-N 383.495 4.843 0 40 GJAB O=C(Cc1csc(-c2ccccc2)n1)NCCCn1ccc2ccccc21 9471129 HOYODUJJBSPDAM-UHFFFAOYSA-N 375.497 4.514 0 40 GJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)COc3ccccc3Cl)n2c1 9684227 WHERKMCGMSXTLY-UHFFFAOYSA-N 391.858 4.981 0 40 GJAB CCOc1ccc(CN(CC)C(=O)c2cc(C)nc3ccccc23)cc1OC 10025230 AXIJXLZEKRZSEO-UHFFFAOYSA-N 378.472 4.613 0 40 GJAB O=c1c2ccccc2n(Cc2cccc(Cl)c2)c(=O)n1-c1cccc(Cl)c1 10338788 PXWJMXQQOQCYTD-UHFFFAOYSA-N 397.261 4.508 0 40 GJAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1 10339427 NFOZWTVFEOMCHC-LJQANCHMSA-N 385.467 4.765 0 40 GJAB COc1cc(OC)c(NC(=O)CSc2ccc(F)c(Cl)c2)cc1Cl 10347209 RCEJSQIAHKMSEC-UHFFFAOYSA-N 390.263 4.881 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3cncn3-c3ccccc3)sc2C)cc1 12535432 DIJICWFGXXZOGC-UHFFFAOYSA-N 390.468 4.565 0 40 GJAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCc3ccco3)cc12 12580632 XGQXLEQATRRZPW-UHFFFAOYSA-N 385.876 4.631 0 40 GJAB COc1cc(OC)c(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1Cl 12971735 DYOLWFIZPGWXAM-UHFFFAOYSA-N 382.847 4.980 0 40 GJAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccncc2)c1C 13759371 DMKROGSXDNTULY-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB O=C(Cc1ccccc1Cl)Nc1nnc(SCc2ccccc2)s1 14582458 NOWVMORAPSOKEO-UHFFFAOYSA-N 375.906 4.665 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl 14785344 CYJKUNGIFQXMSW-UHFFFAOYSA-N 375.049 4.773 0 40 GJAB CCCC(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19501335 ZDXCPJNZJDUWBY-FQEVSTJZSA-N 387.487 4.746 0 40 GJAB COc1ccc(-c2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1OC 20745453 JOODFCRHRVWSPI-UHFFFAOYSA-N 395.436 4.609 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc2c(C)cccc2s1 21589523 GNOMZJQLPRFEGW-KRWDZBQOSA-N 377.469 4.507 0 40 GJAB CCOc1ccc(-n2c(C)c(C)c3c2ncn2nc(Cc4ccccc4)nc32)cc1 21801411 OUTRGSRMQYZFPJ-UHFFFAOYSA-N 397.482 4.675 0 40 GJAB COc1cccc(CNC[C@H](O)c2ccccc2)c1OCc1ccccc1Cl 22075186 DQEBJIYNLNSJBQ-NRFANRHFSA-N 397.902 4.751 0 40 GJAB COC(=O)Nc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 28629220 HWFIJQNEQLXGPD-UHFFFAOYSA-N 387.848 4.894 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(CSC(F)F)o3)sc2c1 30762995 CQYFHPYAYYVZPC-UHFFFAOYSA-N 397.428 4.556 0 40 GJAB CC(=O)Nc1ccc(C(=O)CSc2nccn2-c2ccc(C)c(C)c2)c(F)c1 32801641 MFRFTBHZSZITNV-UHFFFAOYSA-N 397.475 4.562 0 40 GJAB COc1ccccc1C(=O)Nc1ccc(OC(=O)c2c(F)cccc2Cl)cc1 32988908 UCFYWRLVPKXOGO-UHFFFAOYSA-N 399.805 4.959 0 40 GJAB COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(C(C)C)cc1 35168051 UMEDOQVNDUHPJI-QHCPKHFHSA-N 389.499 4.782 0 40 GJAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]21C 36372161 HDLRFHJYLSKLMU-JDOZCUFHSA-N 376.537 4.545 0 40 GJAB CC(C)c1nnc(SCc2cccnc2)c2c1cnn2-c1ccc(F)cc1 36705177 LBPURMUZEXAFJT-UHFFFAOYSA-N 379.464 4.765 0 40 GJAB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cc(-c2ccccc2)on1 36709493 IYEWZPIQHITEFN-UHFFFAOYSA-N 386.411 4.523 0 40 GJAB CCOc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 39748074 GMXSJNSNFPIZOC-UHFFFAOYSA-N 390.886 4.729 0 40 GJAB CCCCc1oc2ccccc2c1CN(C)C(=O)NC1CCN(C2CC2)CC1 45410516 ZDYUHMBXYSSOHY-UHFFFAOYSA-N 383.536 4.544 0 40 GJAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 48255516 IIGXUYRCZHYCGI-ZDUSSCGKSA-N 375.419 4.750 0 40 GJAB CCOC(=O)c1sc2ncnc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2c1C 71795515 KWLWEDYYNDSHCL-GHMZBOCLSA-N 387.427 4.709 0 40 GJAB Cc1noc(C)c1[C@H](C)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 84023017 IQVJVKIMPUVYOC-ZETCQYMHSA-N 385.367 4.542 0 40 GJAB CC(C)c1nc2c(n1C)CCN(C(=O)Nc1ccc(Oc3ccccc3)cc1)C2 95466996 WAEIKKKMNSQWHS-UHFFFAOYSA-N 390.487 4.926 0 40 GJAB Cc1cc(C)c(N[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1 101277047 CKYWYNSJQBJBRR-CQSZACIVSA-N 377.271 4.663 0 40 GJAB CC1CCN(Cc2ccc(NCc3cnc(N4CCC[C@H](C)C4)nc3)cc2)CC1 141532131 LWERSSCMGFDABO-FQEVSTJZSA-N 393.579 4.557 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OCC 219022628 IBXWJIHLWVUXAC-QGZVFWFLSA-N 393.483 4.721 0 40 GJAB Cc1cc(CN(C(=O)c2ccc3c(c2)nc(Cl)n3C)C2CCCC2)c(C)n1C 222563728 NBCWRHZKAIJUMA-UHFFFAOYSA-N 398.938 4.767 0 40 GJAB COc1cccc2cc(C(=O)Nc3nnc(SCc4ccccc4)s3)oc12 222683851 TVPNFUCVYNNQJN-UHFFFAOYSA-N 397.481 4.838 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cccc(C)c1C 223945537 DXGCGOGFZUEJDP-JOCHJYFZSA-N 377.484 4.809 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c(C)c1 225056250 DMNQWICAPNDWEO-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1F 225388614 FWJWTHMTEOVPKB-UHFFFAOYSA-N 388.291 4.804 0 40 GJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225734975 SXTKTYVKMQXUGA-QHCPKHFHSA-N 392.584 4.967 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1C(C)C 225786853 DQDCPNBUSHLTSO-QGZVFWFLSA-N 375.534 4.783 0 40 GJAB COc1cc(C=O)cc(CSC)c1OC(=O)c1ccc(Cl)c(Cl)c1 226288886 YMUXXNNWUCEUKE-UHFFFAOYSA-N 385.268 4.897 0 40 GJAB Cc1noc(C)c1-c1cccc(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 257206257 BCPYTBCXIOCHIO-UHFFFAOYSA-N 397.425 4.651 0 40 GJAB Cn1cc(C(=O)N2CCCC[C@@H]2c2ccc(-c3cccc(Cl)c3)nc2)cn1 257274375 NKTVYICPJLJMSW-HXUWFJFHSA-N 380.879 4.503 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260814478 JJYISHUFBGRJHJ-CVDCTZTESA-N 390.568 4.721 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(OCC(C)C)cc3)sc2c1 408623367 SWVLZVQHETTYKB-UHFFFAOYSA-N 383.473 4.542 0 40 GJAB COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccccc1C 409378202 NLFZAVGTNWNNTQ-UHFFFAOYSA-N 376.456 4.633 0 40 GJAB CCn1c(CN2CC[C@](C)(CCc3ccccc3)C2)nc2cc(C(=O)O)ccc21 566979348 TUQCLLIZJSKWHQ-DEOSSOPVSA-N 391.515 4.599 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H](Oc2ccncc2)C1 575612624 LNTDCRZWSIZLGM-HSZRJFAPSA-N 386.495 4.674 0 40 GJAB COc1ccc(N(Cc2ccccc2)C(=O)c2cnc(C(C)(C)C)nc2)cc1 622363937 DVBDZUAKXCVBMN-UHFFFAOYSA-N 375.472 4.630 0 40 GJAB Cc1ccc2cccc(NC(=O)N3CCCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@@H]3O)c2n1 1659020320 AWBFXLYVWGVXDP-MEGFKASBSA-N 381.520 4.727 0 40 GJAB C[C@H]1CCCN(C(=O)Nc2cccc(NC(=O)N3CCC[C@H](C)[C@@H]3C)c2)[C@H]1C 827385 SMTHNRGBDWWTEJ-XSLAGTTESA-N 386.540 4.991 0 40 GJAB CC(C)C(=O)N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 832373 UZQKTENNJAIXRA-NSHDSACASA-N 379.498 4.841 0 40 GJAB COc1c(Cl)ccc(Cl)c1C(=O)NC(=S)Nc1ccccc1Cl 1443792 MCWUEJGGKYBISZ-UHFFFAOYSA-N 389.691 4.782 0 40 GJAB C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCCC1 3206323 LETUGUIGNHRAIJ-GUYCJALGSA-N 379.982 4.914 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](Nc1ccc2c(c1)OCO2)c1ccccc1 3290568 GRHJTZVRERTLMA-JOCHJYFZSA-N 390.439 4.524 0 40 GJAB Cc1ccc(NC(=S)Nc2cccc(I)c2)cc1C 3295845 ZCBRIQORMCMIOR-UHFFFAOYSA-N 382.270 4.717 0 40 GJAB COc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1CN1CCCCCC1 4029282 MZVGBLCKPWUHLU-DEOSSOPVSA-N 389.543 4.788 0 40 GJAB biogenic Cc1cccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CSC3)c1 4077344 HPBDHQOBXAWBNM-UHFFFAOYSA-N 399.903 4.598 0 40 GJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)[C@H]1COc2ccccc2O1 4088547 AWDDFEIZJXDPPB-LJQANCHMSA-N 388.448 4.742 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 5136328 XOBZZROZMYPRDK-UHFFFAOYSA-N 380.488 4.661 0 40 GJAB CCOc1ccc(NC2=NN=C(c3cccc(Br)c3)CS2)cc1 5694442 YQQMNLVNCFQAAP-UHFFFAOYSA-N 390.306 4.767 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1cc2cc(Br)ccc2oc1=O 5753990 PHKOKPDPPSCLJZ-UHFFFAOYSA-N 392.636 4.770 0 40 GJAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N(c1ccccc1)c1ccccc1 5774100 DPIKOWRJRJDXBN-QFIPXVFZSA-N 399.450 4.712 0 40 GJAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1Cl 6276111 PCUVFDMWOGOMBP-UHFFFAOYSA-N 398.812 4.756 0 40 GJAB Cc1nnc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)o1 6549295 VRCGNIXOBYNZIX-UHFFFAOYSA-N 383.864 4.571 0 40 GJAB Cc1c(C)n(CC(C)C)c2ncn3nc(COc4ccc(Cl)cc4)nc3c12 6758854 ILBVIIXOQNRMBU-UHFFFAOYSA-N 383.883 4.584 0 40 GJAB COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 7281215 TULAYVJSGVRKQF-JOCHJYFZSA-N 397.421 4.745 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3cccc[n+]3[O-])ccc21 7372646 NFYYOXVNOLAMLG-HNNXBMFYSA-N 391.496 4.567 0 40 GJAB Cc1ccc(OCCSc2nc3sccc3c(=O)n2-c2ccccc2)cc1 7785123 BGGLSMJOXYBHHY-UHFFFAOYSA-N 394.521 4.927 0 40 GJAB COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 7917362 KQVOKAQKKAGIRL-UHFFFAOYSA-N 389.480 4.921 0 40 GJAB O=C(Oc1ccccc1Cl)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7928804 RPQXHUONTNYZLU-JTQLQIEISA-N 384.646 4.605 0 40 GJAB O=C(CNc1ccccc1C(=O)Nc1ccc(Cl)cc1)Nc1ccccc1 7957399 PDJGLZMSHNVSFY-UHFFFAOYSA-N 379.847 4.643 0 40 GJAB COc1ccc2cc(CN(C)C(=O)CCC(=O)c3ccc(F)cc3)ccc2c1 8360816 JTFCQNIITXTKRD-UHFFFAOYSA-N 379.431 4.609 0 40 GJAB COc1cc2c(cc1[C@@H]1Nc3ccccc3C(=O)N1C1CCCC1)O[C@@H](C)C2 8719574 RLKLHAXHWYTNJE-RCDICMHDSA-N 378.472 4.528 0 40 GJAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2snnc2C)cc1F 9250900 NWUOUUQXZXGVID-UHFFFAOYSA-N 395.415 4.524 0 40 GJAB COC(=O)c1ccc(CSCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 9882803 NUAONASVDLXMGA-MRXNPFEDSA-N 393.508 4.737 0 40 GJAB O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 9987432 TVLBCDTWGUHBTD-DHZHZOJOSA-N 398.300 4.584 0 40 GJAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1Cl 10796188 AQCQFMXEUFSDPG-UHFFFAOYSA-N 376.598 4.581 0 40 GJAB COc1ccc(-c2cc(=O)oc3cc(OC(=O)c4ccc(C)cc4)ccc23)cc1 11865508 ZEXKPOGHQUIHFB-UHFFFAOYSA-N 386.403 4.996 0 40 GJAB biogenic CC(=O)c1cc(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)cs1 12193169 UEZVKDBVZZKKIK-UHFFFAOYSA-N 381.409 4.724 0 40 GJAB O=C(/C=C/c1c(Cl)cccc1Cl)NCc1ccccc1Cn1ccnc1 12535452 DKPONZQZIPWMRD-CMDGGOBGSA-N 386.282 4.568 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2cc(O)nc3ccccc23)cc1 12543617 USSQLIXHNGPDCF-UHFFFAOYSA-N 397.478 4.740 0 40 GJAB COc1ccc(-c2nnc([C@H](C)Nc3ccc(N4CCCCC4)cc3)o2)cc1 12547439 HRPVVXRCGXYMQC-INIZCTEOSA-N 378.476 4.909 0 40 GJAB O=C(Cc1ccc2ccccc2c1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 13972953 JJJIRQAUZWOOQK-UHFFFAOYSA-N 388.448 4.873 0 40 GJAB O=C(COc1ccccc1C(=O)Nc1cccc(Cl)c1)Nc1ccccc1F 14427602 IECBZFKYAHWPFH-UHFFFAOYSA-N 398.821 4.749 0 40 GJAB CCOc1ccccc1-c1nc(CC(=O)N[C@@H](C)c2ccc(F)cc2)cs1 14776779 CVFYGTRAMCSIPC-AWEZNQCLSA-N 384.476 4.768 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14796065 BBZUUHFEZLIQAL-QGZVFWFLSA-N 396.531 4.920 0 40 GJAB Cc1ccc([C@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)cc1 15230859 ALUGMCSFUIYZJM-OAQYLSRUSA-N 389.441 4.664 0 40 GJAB O=C(Nc1ccc(Br)cc1Br)c1cc(F)cc(F)c1 15303385 AYGQYPRUVDOMMB-UHFFFAOYSA-N 391.009 4.742 0 40 GJAB COc1cc(CCC(=O)N[C@H](c2ccccc2)c2cccs2)cc(OC)c1 15545107 XRKLBLSIQKRPFJ-JOCHJYFZSA-N 381.497 4.604 0 40 GJAB COc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 15581239 ZAYPKFZNHXCAJD-UHFFFAOYSA-N 387.458 4.977 0 40 GJAB COc1cc(CCC(=O)Nc2cccc(C3SCCS3)c2)cc(OC)c1 16496813 XAUALILMZHLQPN-UHFFFAOYSA-N 389.542 4.754 0 40 GJAB O=C(CSc1ccc(Cl)cc1)NCc1ccc(CN2CCCCC2)cc1 16507960 XPBWHLIJXCHILE-UHFFFAOYSA-N 388.964 4.734 0 40 GJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1cc(Cl)ccc1F)CC(O)=N2 32095151 HOBAFGWFIZFAMY-NSHDSACASA-N 392.221 4.540 0 40 GJAB CN(C)c1cccc(C(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)c1 32609652 UALRPTXHWVBDBY-UHFFFAOYSA-N 389.286 4.557 0 40 GJAB COc1ccc2[nH]c3c(SCC(=O)Nc4ccc(Cl)cc4)ncnc3c2c1 33298734 YFUOUXCLTDLLQN-UHFFFAOYSA-N 398.875 4.504 0 40 GJAB Cc1sc(NC(=O)CCCc2nc(C(C)C)no2)nc1-c1ccc(F)cc1 40129571 UQAJODBOAXGZJN-UHFFFAOYSA-N 388.468 4.725 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1C 44843964 FHFQSDXGBJNINZ-LJQANCHMSA-N 394.515 4.726 0 40 GJAB CCC1CCC(N(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C2CC2)CC1 48290333 UKPVNZMDQTUKNZ-SCCNAQOGSA-N 397.563 4.890 0 40 GJAB O=C(NC1CC1)[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 57338246 XIOOFUODGUWQJW-OAQYLSRUSA-N 380.875 4.710 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1Cl 59227200 HMKSAKWVZHXDRI-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2c(C)nn(C)c2s1 65474969 GDOYVGCLAKPDNT-UHFFFAOYSA-N 383.395 4.613 0 40 GJAB CC(=O)Nc1cccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)c1 71416015 XHTLCYCWRMNXGB-QGZVFWFLSA-N 381.284 4.730 0 40 GJAB CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)c1ccccc1 72181575 IPWDEWXWTMEDED-OAQYLSRUSA-N 399.494 4.974 0 40 GJAB CCCCN(C(=O)Cc1csc(N2CCCC2=O)n1)[C@H](CC)c1ccccc1 72285129 JYEREQKHVPRMGH-LJQANCHMSA-N 399.560 4.592 0 40 GJAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)o2)n1 79492311 HFUFJSSSRIWMHW-UHFFFAOYSA-N 378.457 4.712 0 40 GJAB Cc1ccc(CSc2nnc(NC(=O)N3CCCCCCC3)s2)cc1 84150379 SPEKYKXKRKVIJG-UHFFFAOYSA-N 376.551 4.937 0 40 GJAB CC(C)c1csc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)n1 84630761 LBEMEBHCUSWORG-ZDUSSCGKSA-N 387.530 4.702 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2)no1 95482409 ZWZTUWCRAVCFSQ-MRXNPFEDSA-N 387.892 4.577 0 40 GJAB CCC(CC)(C(=O)NCc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cc1 95939679 WAZCGRLQPXOOKL-UHFFFAOYSA-N 386.927 4.518 0 40 GJAB CCS[C@@H]1CCCC[C@H]1NCc1nnc(-c2cccc(Br)c2)o1 97165592 VUTCRULRLWUIAP-HUUCEWRRSA-N 396.354 4.653 0 40 GJAB CC(=O)N[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918322 UORSHAGGYHADPG-VONOTQQISA-N 387.564 4.632 0 40 GJAB O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cncc(-c2ccsc2)c1 218825221 CPSJMTSEMXENMH-UHFFFAOYSA-N 376.403 4.688 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)cc1 222900338 FOBRACRMMLYPJA-VQTJNVASSA-N 385.504 4.691 0 40 GJAB Cc1cc(C)cc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 223324648 YFQXYMPUBSDVCM-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c1 223342825 CNCIZORPHNVTGY-DLBZAZTESA-N 385.504 4.780 0 40 GJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 225004343 IZACAODNQCHAFO-PMACEKPBSA-N 394.559 4.514 0 40 GJAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)cn1 225769748 ZLZVMLNROKYNAF-OAQYLSRUSA-N 377.513 4.783 0 40 GJAB COc1ccccc1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225831955 HUOQWMMRPVEGBL-UHFFFAOYSA-N 399.450 4.984 0 40 GJAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(F)c(Cl)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257205583 AZTFXKJCIIFYEC-CKMSOXPYSA-N 397.918 4.657 0 40 GJAB CCc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 408624706 VUAQHZYPIYVFFV-UHFFFAOYSA-N 390.508 4.955 0 40 GJAB CCCN(CCC)C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408979160 PHENAAHRFBAQON-UHFFFAOYSA-N 387.487 4.882 0 40 GJAB CCOc1ccc(NCc2cc(Br)c(OC)c(OCC)c2)cc1 409110443 CDCCVTHZNOQIMS-UHFFFAOYSA-N 380.282 4.867 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 409198160 YRDQAAWGISDRGA-UHFFFAOYSA-N 399.830 4.941 0 40 GJAB CO[C@H]1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242848 VPEHNMYNVHEDJR-PLWWPAAYSA-N 393.506 4.582 0 40 GJAB CCCc1cc(-c2nn(C)cc2-c2ccc3c(c2)OCCCO3)c(O)cc1OC 630413 LGBVLTZACKACLO-UHFFFAOYSA-N 394.471 4.582 0 40 GJAB biogenic COc1cc2cc(C)c(SCC(=O)OC3CCCCC3)nc2cc1OC 928253 PLQLGTIXVURBOT-UHFFFAOYSA-N 375.490 4.528 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2)cc1 2073543 OIXYGEYENLLQLG-UHFFFAOYSA-N 388.467 4.909 0 40 GJAB CC(/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O)=C\c1ccccc1 2782968 UZWVXKZLHYJKMM-UBSBAQTRSA-N 392.480 4.616 0 40 GJAB Cc1sc2nc(CSc3nc4ccccc4n3CC(C)C)[nH]c(=O)c2c1C 3328794 VFILJRBKKLYJQB-UHFFFAOYSA-N 398.557 4.899 0 40 GJAB C#C[C@]1(O)CC[C@@H]2[C@H]3CC=C4C=C(C(C)(C)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3849814 NFVZMTPMHRVCTP-BWNQIZJUSA-N 382.544 4.961 0 40 GJAB O=C(CCc1ccccc1)NC[C@@H](c1cccs1)N1CCc2ccccc21 4305569 JIVMFVDNZOUXQN-NRFANRHFSA-N 376.525 4.601 0 40 GJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 4409584 ALQWNGCYQQTPAT-NGSHPTGOSA-N 393.486 4.925 0 40 GJAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1[C@@H](CO)Cc1ccccc1 4731427 RVBXGOSYXHFXPE-KBMIEXCESA-N 396.490 4.625 0 40 GJAB COc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)cc1 4733630 HOSPMIGNNRAZDE-UHFFFAOYSA-N 387.439 4.833 0 40 GJAB O=[S@@](CCCC[S@](=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 5263296 RWDYSSMDVBIEHM-FGZHOGPDSA-N 375.342 4.689 0 40 GJAB CCOc1c(Cl)cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1OC 5463397 WQNDDITZHHQEIN-NVNXTCNLSA-N 392.238 4.745 0 40 GJAB Cc1cc(I)cnc1NC(=O)c1ccc(C(C)(C)C)cc1 6572479 AXTHIIIEVCPTBC-UHFFFAOYSA-N 394.256 4.544 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1cc(Cl)ccc1OCc1ccccc1 7687199 BZDGBOKAQPGEOL-UHFFFAOYSA-N 381.815 4.900 0 40 GJAB Cc1ccccc1CC(=O)OCC(=O)Nc1ccccc1Oc1ccccc1 7863369 WIJBEEBPBMMICB-UHFFFAOYSA-N 375.424 4.512 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 7882023 UNMUDLDGTUWUQA-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB Cc1nc(-c2ccccc2)c(C(=O)NCc2ccccc2CN2CCCC2)s1 8013014 PDMBGQFXJQNJAH-UHFFFAOYSA-N 391.540 4.644 0 40 GJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 8280278 XBLYURHNSQUCIJ-UHFFFAOYSA-N 377.469 4.697 0 40 GJAB Cc1cc(NC(=O)COC(=O)c2cccc(Cl)c2)cc(C)c1Br 8433754 XWHWPAJJNYFIPW-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)c1nc2ccccc2n1C(F)F 8719846 AWHBOYVAELTHPR-OAHLLOKOSA-N 386.446 4.680 0 40 GJAB O=C(CNc1ccc2ccccc2c1)Nc1ccccc1C(=O)NC1CCCC1 8720606 AJLCOGBNWQUSAB-UHFFFAOYSA-N 387.483 4.563 0 40 GJAB CC1=C(C(=O)Nc2cc(C)ccc2C)[C@H](c2cccc3ccccc23)NC(=O)N1 9087312 XCGDGDFHFXFDJI-QFIPXVFZSA-N 385.467 4.723 0 40 GJAB COc1ccc2[nH]c(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)nc2c1 9096223 YXTOEUHUDZHTOH-JCKWVBRZSA-N 376.522 4.668 0 40 GJAB Cc1ccccc1OCC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 10692652 LHESKRNGFNTJPW-NRFANRHFSA-N 384.479 4.803 0 40 GJAB O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1ccc(Oc2ccccc2)cc1 12986796 OLMSESKSQZLYJA-UHFFFAOYSA-N 392.440 4.588 0 40 GJAB COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cccc(O)c3)C[C@@H]21 13036468 UXOLMIYVGFZAIQ-LAUBAEHRSA-N 378.453 4.705 0 40 GJAB CC(C)c1ccc(NC(=S)N(C)Cc2cc3cccc4c3n(c2=O)CC4)cc1 13692909 IVPFOZSOQRNHGH-UHFFFAOYSA-N 391.540 4.510 0 40 GJAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 13936209 ZMMUHNKLAQWOML-UHFFFAOYSA-N 397.525 4.605 0 40 GJAB CCN(C)[C@H]1CN(C(=O)c2csc(Cc3ccccc3)n2)C2(CCCCC2)C1 19703809 PHNIFSPBXUDKRP-LJQANCHMSA-N 397.588 4.603 0 40 GJAB Cc1ccc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 19927304 HSZVYILHRDICSB-UHFFFAOYSA-N 388.290 4.518 0 40 GJAB O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1cccc(Cl)c1 21681398 RHLAPDMTADINNU-UHFFFAOYSA-N 383.904 4.607 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(C(=O)OC)ccc1Cl 22529102 UKYYTGMUAHRXJW-QGZVFWFLSA-N 375.852 4.540 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 24221151 ZWHQHPWLFIWEEE-LSDHHAIUSA-N 380.469 4.938 0 40 GJAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc3nc(C)sc3c2)cc1Cl 28909542 SCGGWKILTGOOOL-SNVBAGLBSA-N 375.881 4.706 0 40 GJAB COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc(OC)c1OC 30947942 YVFXMJXDKIXCHW-UHFFFAOYSA-N 389.879 4.816 0 40 GJAB Nc1c(-c2nnc(SCc3ccc(F)cc3)n2C2CC2)sc2ncccc12 35477243 MUWMMNOSAWNQIV-UHFFFAOYSA-N 397.504 4.903 0 40 GJAB O=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1cc(Cl)c(Cl)cc1Cl 40098569 ZUTYITSSWJABSW-CQSZACIVSA-N 395.620 4.780 0 40 GJAB CC1CCN(Cc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)CC1 44918612 BTRYEOPZMYGFHE-QFIPXVFZSA-N 392.543 4.951 0 40 GJAB Cc1cc2oc(=O)cc(CN(Cc3cccs3)C[C@H]3CCCO3)c2cc1C 57653054 ACTXXFSUSXMMQD-GOSISDBHSA-N 383.513 4.653 0 40 GJAB O=C(c1cnc2ccc(F)cc2c1NCCc1ccc(Cl)cc1)N1CCCC1 67288282 MDMLGFGMHLOAPQ-UHFFFAOYSA-N 397.881 4.918 0 40 GJAB COc1cc(OC)c(NC(=S)Nc2ccc(F)cc2Cl)cc1Cl 71761757 MMIDHPGURATITJ-UHFFFAOYSA-N 375.252 4.959 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1[C@H](C)CC 72414283 COMPLGGHGVVASL-OAHLLOKOSA-N 384.501 4.948 0 40 GJAB COc1ccc2cc(C(=O)Nc3ccc(OC(F)F)c4ncccc34)[nH]c2c1 83970289 RJTPWHQDAQHEDL-UHFFFAOYSA-N 383.354 4.578 0 40 GJAB CC(C)c1noc(-c2ccccc2C(=O)Nc2cc(F)cc(N3CCCC3)c2)n1 84631158 DNDIYEVXQTVEFA-UHFFFAOYSA-N 394.450 4.852 0 40 GJAB O=C(OCc1cc(-c2cccs2)on1)c1ccc(N2CCCCCC2)nc1 95349505 AXIPNVMAXHLNJY-UHFFFAOYSA-N 383.473 4.536 0 40 GJAB COCc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)o1 95939270 ULMUNAJCOPEODX-UHFFFAOYSA-N 394.399 4.712 0 40 GJAB O=C1C[C@H](c2ccccc2)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc23)O1 96222243 VMJMPYWSESIQDM-GOSISDBHSA-N 384.387 4.607 0 40 GJAB biogenic Cc1cc(C)cc(C[C@@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@H]2C)c1 100168570 SOUKHRYZCIPMDY-KSSFIOAISA-N 391.389 4.570 0 40 GJAB CC(=O)c1cccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C2CCCCC2)c1 100424373 RCVGWLSFFCWWCV-VXKWHMMOSA-N 383.536 4.729 0 40 GJAB C[C@@H]1[C@@H](OC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C[C@H]2C[C@H]1C2(C)C 102597249 CJGSJLGOYGVJOU-ZSXHRAQDSA-N 384.520 4.544 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 102846191 VZDZCKMDXCMUQJ-LHSJRXKWSA-N 386.517 4.943 0 40 GJAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219291141 YONNJNGOJMKPIB-HNNXBMFYSA-N 379.843 4.977 0 40 GJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3F)N21 222706245 SYFFIIKJXQZMMX-ONGXBYRLSA-N 392.503 4.991 0 40 GJAB Cc1cc(OCC(=O)NCc2ccc3ccccc3c2)ccc1Br 222786272 SALXYYJRHBDCNX-UHFFFAOYSA-N 384.273 4.606 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 223031141 QGCJXMGALJGKCY-UZLBHIALSA-N 375.896 4.698 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 223392056 WZFJEKAYLMRCHK-OAHLLOKOSA-N 377.937 4.968 0 40 GJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1cccc(CN2CCCCC2)c1 224682131 HLHZPMIOQJJFHK-HXUWFJFHSA-N 394.559 4.880 0 40 GJAB O=C(NC[C@](O)(c1ccco1)c1cccs1)c1ccc(-c2ccsc2)cc1 225588232 BZJUTZDPHROKPK-NRFANRHFSA-N 395.505 4.736 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccccc2C)ccc1Cl 225754429 NLVKKANWQPBKHC-CYBMUJFWSA-N 376.909 4.873 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSCC(=O)Nc1ccccc1Cl 408605944 ZLPWUMQOKJNKGW-UHFFFAOYSA-N 383.300 4.612 0 40 GJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nc2cc(C(=O)O)ccc2n1CC 575065329 GFTWOWBYLPHDAB-PZJWPPBQSA-N 391.515 4.913 0 40 GJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCO[C@H](c2ccncc2)C1 580040439 MORCUTVXZXKJMC-CJNGLKHVSA-N 399.800 4.796 0 40 GJAB CSCCc1ccccc1NC(=O)c1sc([C@@H]2CCCOC2)nc1C 601721340 IJWWYQZWMUXOOP-OAHLLOKOSA-N 376.547 4.503 0 40 GJAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(C1CCC1)CCCCCO2 643575104 BDXHFGBVUWVTKR-UHFFFAOYSA-N 379.500 4.893 0 40 GJAB Cc1ccc([C@H]2CCCCN2C(=O)NC[C@@]2(C)OCCc3ccccc32)cc1 1684959167 QNLPQOWDVYERHW-ISKFKSNPSA-N 378.516 4.720 0 40 GJAB Nc1c(C(=O)Nc2cnc3ccccc3c2)sc2nc3c(cc12)CCCCC3 691697 RUJCECXEDXMQNR-UHFFFAOYSA-N 388.496 4.948 0 40 GJAB CCc1nc(SCC(=O)Nc2nc(C)c(C)s2)c2c(C)c(C)sc2n1 1372148 OFYGWIDWNLZJOW-UHFFFAOYSA-N 392.575 4.675 0 40 GJAB Cc1cc(C)cc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)c1 2255327 PASYKUFMPRVJFO-UHFFFAOYSA-N 388.471 4.728 0 40 GJAB COc1cccc(CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 2627384 SFBZKMIRAXWHEO-UHFFFAOYSA-N 388.183 4.658 0 40 GJAB COc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc1 4059420 ZVGVOUOZRXTWCD-FQEVSTJZSA-N 397.931 4.952 0 40 GJAB Cc1ccccc1-n1nc2c(c1NC(=O)CSCc1ccccc1)CSC2 4087581 XDHBYXQPYYATMB-UHFFFAOYSA-N 395.553 4.799 0 40 GJAB Cc1ccc(C)c(CN2C(=O)[C@@](O)([C@@H](C)C(=O)c3ccccc3)c3ccccc32)c1 4556268 BSENLHIMHJMTQX-AFMDSPMNSA-N 399.490 4.557 0 40 GJAB CC(=O)Oc1cccc2ccc(/C=C/c3cn(C(C)=O)nc3-c3ccccc3)nc12 4631199 WUSGTEYLHYLBEJ-WYMLVPIESA-N 397.434 4.854 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 4683731 XWJTYEGVQBFZHI-IMPNNSMHSA-N 390.564 4.542 0 40 GJAB in-vitro CCCOP(=O)(OCCC)OCCOP(=O)(OCCC)OCCC 4705703 AVQGBHPLZWFCTA-UHFFFAOYSA-N 390.350 4.942 0 40 GJAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)C1(C)C 4721855 DOAPFWMHYCYJDH-LEWJYISDSA-N 376.500 4.794 0 40 GJAB COc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(OC)cc1Cl 4880532 RNJQUAKAJWVFOC-UHFFFAOYSA-N 393.226 4.918 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 5099389 YRXPZHUYSBCFTF-UHFFFAOYSA-N 392.480 4.602 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1OCC 5441783 UXPYHGBICXNFIQ-UHFFFAOYSA-N 396.487 4.562 0 40 GJAB CCOCc1ccccc1[C@](O)(c1ccc(OC)cc1)c1ccccc1OC 5575769 HDOHJPQPDPDOKI-XMMPIXPASA-N 378.468 4.525 0 40 GJAB O=C1[C@H]2C=CC=C[C@@H]2N=C(SCc2ccc(F)cc2)N1Cc1ccccc1 5682914 STRCWNLEWXDMGA-PMACEKPBSA-N 378.472 4.568 0 40 GJAB COC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CC[C@H](C)C2 6253691 PCCCROZCVCJVID-JTQLQIEISA-N 393.892 4.574 0 40 GJAB COc1ccccc1CNC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 6288638 RRBDNEGZRONRDX-UHFFFAOYSA-N 389.480 4.539 0 40 GJAB S=C(Nc1ccc(I)cc1)SCc1ccco1 6513045 XURNHPWJUCCBEP-UHFFFAOYSA-N 375.256 4.514 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 6552833 PVNAWRPZAOTVJQ-CYBMUJFWSA-N 384.476 4.686 0 40 GJAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2Cl)c(C)c1 6629948 AGFGCYLGVRBOBY-UHFFFAOYSA-N 389.952 4.930 0 40 GJAB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 6656779 IHMNPCFTLWVDEZ-UHFFFAOYSA-N 392.846 4.725 0 40 GJAB Fc1ccccc1-c1nnc(SCc2nc(-c3cccs3)no2)n1C1CC1 7047590 NGWGZNVUDDAPOI-UHFFFAOYSA-N 399.476 4.823 0 40 GJAB CC(C)c1ccc(CCNC(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1 7814369 FGORDQNUCJHZBF-RMKNXTFCSA-N 399.918 4.997 0 40 GJAB Cc1ccc(C)c(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 7929491 CXZRLAPTOZRSDX-CYBMUJFWSA-N 378.255 4.569 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cc(Br)ccc3O)n2)cc1 9171161 CDZPFGVYNYAYFS-UHFFFAOYSA-N 389.274 4.839 0 40 GJAB C[C@@H](NC(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1ccco1 9503844 UHUKMCYHQLNFOC-CYBMUJFWSA-N 395.509 4.921 0 40 GJAB COc1ccc(-c2noc(CSc3ccc4ccccc4n3)n2)c(OC)c1 9593578 QGWQOPGCGNCPDZ-UHFFFAOYSA-N 379.441 4.594 0 40 GJAB CCN(CC)c1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 10157983 RRARFIBHHJVAKO-UHFFFAOYSA-N 390.409 4.540 0 40 GJAB Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4ccccc4)cc3)nn2)c(C)c1C 11027670 ZEJTWEFMNIRSNC-UHFFFAOYSA-N 398.470 4.583 0 40 GJAB CC(C)(C)Nc1c([C@@H]2CCCN(C(=O)c3ccccc3F)C2)nc2ccccn12 12088124 RGEKCFUGMWEROF-MRXNPFEDSA-N 394.494 4.704 0 40 GJAB COc1cccc(C(=O)N2CCC[C@H](c3cc4c(C)c(OC)ccc4cn3)C2)c1 12187829 AKTUIYBOYQVIAC-IBGZPJMESA-N 390.483 4.580 0 40 GJAB COc1cc(Nc2ccc(NC(=O)c3cccc4ccccc34)cc2)nc(C)n1 12225279 CEDHYMNCRSMGIV-UHFFFAOYSA-N 384.439 4.943 0 40 GJAB O=C(Nc1ccc(F)cc1F)c1cc(Br)c(Br)s1 12754888 ZNSFERUEOTWBRL-UHFFFAOYSA-N 397.038 4.804 0 40 GJAB CSc1ccc(C(=O)CCC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 12783252 NDKZHWFTSZLRAD-KRWDZBQOSA-N 389.517 4.864 0 40 GJAB C[C@H](SCc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 13012603 LUSFZOMYSZFJPY-HNNXBMFYSA-N 379.481 4.871 0 40 GJAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(Cc1ccccc1)C3 13684573 LIBSUWHJYYGRFQ-UHFFFAOYSA-N 399.446 4.821 0 40 GJAB biogenic Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4ccco4)c12)CCC3 17360275 NPSHXDKPAMHITL-UHFFFAOYSA-N 375.453 4.880 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN([C@@H](C)c1ccccc1)CO2 20609855 HXEHWORVENTUNM-INIZCTEOSA-N 375.468 4.893 0 40 GJAB biogenic COc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1NC(C)=O 26062460 FVKHLRKZZHEBJK-UHFFFAOYSA-N 392.480 4.733 0 40 GJAB Cc1nc2cc(NC(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)ccc2o1 27013077 WGSLIHAQMLOCHW-UHFFFAOYSA-N 397.232 4.541 0 40 GJAB COc1ccccc1-c1nc(-c2cccc(NC(=O)Cc3ccccc3)c2)no1 28221929 PNSUIHYJQVNQNF-UHFFFAOYSA-N 385.423 4.593 0 40 GJAB CCCN(Cc1ccc(OCC(C)C)c(OC)c1)C(=O)c1cc(Cl)c[nH]1 29434257 TYUINHYRWAAGJY-UHFFFAOYSA-N 378.900 4.764 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2cccc(Cl)c2Cl)c1C 39440823 STXOFSZRCBUQCB-LBPRGKRZSA-N 381.303 4.844 0 40 GJAB COc1ccc([C@@H]2CCCCCN2Cc2csc(-c3cnn(C)c3)n2)cc1 40149679 GFGDEBHWBDEJTQ-FQEVSTJZSA-N 382.533 4.670 0 40 GJAB Cc1ccc(C)c(CC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 44848202 KDSKQFPHMZEKNX-UHFFFAOYSA-N 377.459 4.880 0 40 GJAB CN(C(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccccc1 44910230 MEVATSBBIOSZLK-HNNXBMFYSA-N 377.315 4.868 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2C(C)C)c1 57291758 GTPIUEWQPGPZCP-UHFFFAOYSA-N 392.528 4.516 0 40 GJAB O=C(Nc1ccccc1N1CCCCC1)N(Cc1cccs1)C[C@@H]1CCCO1 57891979 BNTCAPFNIFOLRH-SFHVURJKSA-N 399.560 4.952 0 40 GJAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(Oc3ncccn3)cc2C)c1 65598819 AVRLWEJSNAOPCN-UHFFFAOYSA-N 389.455 4.796 0 40 GJAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC[C@H]1Cc1cccc(F)c1 84514402 CLKNTLAUWYTQBZ-INIZCTEOSA-N 383.854 4.717 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 95469946 XATXINRSRVVAGY-OLZOCXBDSA-N 389.402 4.966 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 216326547 TUNSJBQXGGPNJT-NBSXQYNISA-N 383.488 4.629 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219565436 KXGBMBGNFZNLJL-MSOLQXFVSA-N 383.488 4.580 0 40 GJAB O=C(CCc1cccc2ccccc12)NCc1nc(-c2ccc(Cl)cc2)no1 222679567 KPIKYTJLNIEWLV-UHFFFAOYSA-N 391.858 4.792 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)N(CC)Cc2nc(-c3cccs3)no2)cc1 222903099 RGDNTOPSLBUEGK-QGZVFWFLSA-N 399.516 4.567 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccccc1F 223026491 VNRRMPFRLZRCJG-IBGZPJMESA-N 395.927 4.995 0 40 GJAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 223675217 REILVYMGMAKBMO-HXUWFJFHSA-N 394.559 4.604 0 40 GJAB C[C@H]1Cc2ccccc2N1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1 225338229 XIKNBVRETBILQB-HNNXBMFYSA-N 391.342 4.884 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 225547054 URRWDHJFBOOKOW-UHFFFAOYSA-N 399.878 4.517 0 40 GJAB Cc1ccc(SCCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225588395 WRSMXRACXNBFPG-UHFFFAOYSA-N 399.585 4.591 0 40 GJAB C[C@@H]1CCCN(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 225736295 KQUKAWOPFJHELV-GFCCVEGCSA-N 393.906 4.767 0 40 GJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225845963 JQRWGYVJNULRIR-NRFANRHFSA-N 379.497 4.576 0 40 GJAB COc1cccc(C(=S)NCCc2ccccc2)c1OCc1ccc(F)cc1 408573698 JWUCKQLBHSLHEO-UHFFFAOYSA-N 395.499 4.921 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccccc3)n2)cc1 408693677 BSGQTIDHPLYSRV-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(SCC(C)C)=N1 408985261 AMFBZJZIRITGDI-FQEVSTJZSA-N 379.529 4.989 0 40 GJAB COC(=O)c1ccc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)cc1 409107273 RMSROQCFFGFDQW-UNOMPAQXSA-N 377.421 4.819 0 40 GJAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 409375413 KLCSJJFBTHJXGQ-UHFFFAOYSA-N 398.409 4.603 0 40 GJAB CCc1nc2ccccc2n1Cc1noc([C@H]2C[C@@H]2c2c(F)cccc2F)n1 545888598 RTQLLKDYXHIWGF-STQMWFEESA-N 380.398 4.579 0 40 GJAB COc1ccc(CCNC(=O)[C@@H]2[C@H]3CC/C=C\CC/C=C/CC[C@@H]32)cc1OC 584904342 HIORFBZGFBAVJO-DWUKBWRKSA-N 383.532 4.691 0 40 GJAB Cc1ccncc1CC(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 613121602 DGUSQJBBUXEGCB-UHFFFAOYSA-N 393.192 4.819 0 40 GJAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1ccc(OC(F)(F)F)cc1 675007887 ZIOXQEFOLWBKQI-OAHLLOKOSA-N 381.375 4.802 0 40 GJAB Cc1ccnc([C@@H]2CCCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 1848353690 WQESQKJTOOQCLK-QFIPXVFZSA-N 387.483 4.877 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3cccc(Cl)c3)CC[C@@H]2N1c1cccc(F)c1 2037978271 MIYHEFOHSMECLZ-UZLBHIALSA-N 386.898 4.999 0 40 GJAB COC(=O)c1c(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCC2 677543 UHQSIQGEHJXZEZ-RNCFNFMXSA-N 388.316 4.553 0 40 GJAB O=C(CSc1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(Cl)cc1 854236 LSSZWGUFVHJKBN-UHFFFAOYSA-N 390.917 4.904 0 40 GJAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc3c(c2)OCO3)N1c1ccccc1 860754 BVYIYNXVXUZVEO-QHCPKHFHSA-N 395.418 4.555 0 40 GJAB Cc1cccc(NC(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CCCC4)c1 873787 OBYPAHHDKJTTMY-CYBMUJFWSA-N 383.542 4.998 0 40 GJAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)c1ccc2c(c1)OCCO2 932965 VDOBOERKHUHMJQ-UHFFFAOYSA-N 379.481 4.906 0 40 GJAB Cc1cc(C)c(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)c(C)c1 1346884 KRMXIHFBEVBWCR-GOSISDBHSA-N 385.895 4.900 0 40 GJAB CCOC(=O)c1sc(NC(=O)c2ccc(Oc3ccccc3)cc2)nc1C 1509790 ZSFWBAJYBIVECN-UHFFFAOYSA-N 382.441 4.673 0 40 GJAB CCCC(=O)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 2054638 JDLRDFZOHFQIOF-LLVKDONJSA-N 377.621 4.730 0 40 GJAB COc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccccn2)cc1 2227373 SUDODIMREXXQDP-UHFFFAOYSA-N 392.459 4.769 0 40 GJAB Cc1ccccc1Cn1cc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cn1 2465911 QFJLNUKECLSERY-KRWDZBQOSA-N 392.503 4.631 0 40 GJAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 3366012 CQHUNWCOPBEHMJ-UHFFFAOYSA-N 384.863 4.634 0 40 GJAB COc1ccc(C(=O)Oc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1OC 4247234 BJVKPUYFKOHLDX-UHFFFAOYSA-N 398.411 4.543 0 40 GJAB biogenic CCCCN1C(=O)[C@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)c2ccccc21 4554923 FNFQSVKWPIVBQH-DEOSSOPVSA-N 379.500 4.528 0 40 GJAB Cc1nc(Cc2nnc(S[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)o2)cs1 5833942 LZJDTTHOPCSSTI-LLVKDONJSA-N 398.513 4.579 0 40 GJAB CC(=O)c1cccc(OCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1 6221240 UTNAHYRJPSATQT-UHFFFAOYSA-N 394.496 4.955 0 40 GJAB CC(C)(C)C1CCC(OC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1 6906094 MKDJBFNTEVBDSC-UHFFFAOYSA-N 396.531 4.885 0 40 GJAB CCc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)s1 7844507 JHHBDHPDJGEROQ-UHFFFAOYSA-N 389.571 4.864 0 40 GJAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(F)cc1F 8000756 KWZYFUZFJXUBNL-LJQANCHMSA-N 390.480 4.674 0 40 GJAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 8113237 BAERBITWUYOORA-UHFFFAOYSA-N 396.874 4.978 0 40 GJAB C[C@@H](NC(=O)C[C@@](C)(C(=O)O)c1ccccc1)c1ccc(Cl)c(Cl)c1 8392451 GSPMYUAIXNAZLL-CWTRNNRKSA-N 380.271 4.603 0 40 GJAB O=C(/C=C\c1cccc2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 8733370 VAXSAPNCBZFZIO-QXMHVHEDSA-N 376.887 4.855 0 40 GJAB Cc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2C)cc1 9019547 MJHDVJWFNDOYBS-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cc1nc(-c2cccs2)sc1C(=O)NCCCn1ccc2ccccc21 9220977 SVKONSWMWYDQFD-UHFFFAOYSA-N 381.526 4.955 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)Nc2nc3ccccc3s2)c(OC)c1 10202408 PQZYENZMXYHVRN-MRXNPFEDSA-N 383.473 4.683 0 40 GJAB COc1cccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1 10507360 YPBTZZRSCMNHGX-UHFFFAOYSA-N 376.416 4.533 0 40 GJAB C[C@@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)Nc1ccc(C(F)(F)F)cc1 12103929 DJTXNEIPPHOUPB-SNVBAGLBSA-N 384.427 4.600 0 40 GJAB O=C(Cc1csc2nc(-c3cccs3)cn12)Nc1cccc2cccnc12 12559397 QZAYNSKKFIDQAR-UHFFFAOYSA-N 390.493 4.854 0 40 GJAB Cc1ccc(-c2nnc(S[C@@H]3C[C@@H](C)OC3=O)nc2-c2ccc(C)cc2)cc1 12750294 JAQGSVLUCXNNLT-CRAIPNDOSA-N 391.496 4.619 0 40 GJAB O[C@@H](c1ccccc1)c1nc2ccccc2n1CCOc1ccccc1Cl 13540883 JKKJTVYRJUBIKW-NRFANRHFSA-N 378.859 4.850 0 40 GJAB Clc1ccc(OCc2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13691763 JOCUWBHYMFCGAM-UHFFFAOYSA-N 393.859 4.633 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 14002906 VFRINEJFEGHHKR-OAQYLSRUSA-N 394.515 4.807 0 40 GJAB C[C@@H](SCc1ccccc1Br)C(=O)Nc1ccc(F)cc1F 15493172 CTLXESAKVKRXDS-SNVBAGLBSA-N 386.261 4.988 0 40 GJAB CC(=O)c1cccc(-n2c3c(c(SCc4ccccc4C)nc2=O)CCC3)c1 15840541 TXLSRUNIMDJFRF-UHFFFAOYSA-N 390.508 4.525 0 40 GJAB CCc1ccc(Cl)c(CC)c1NC(=O)CCn1cnc2c(C)cccc2c1=O 16468026 YKNNJRYAMBDCIW-UHFFFAOYSA-N 397.906 4.512 0 40 GJAB O=C(CSc1nc(-c2ccccc2)cs1)N[C@H]1CCOc2ccccc21 19317768 UOUUITGYLXRUHH-INIZCTEOSA-N 382.510 4.542 0 40 GJAB Cc1ccc(-c2ccc(/C=C/C(=O)NCc3ccc(C(=O)O)cc3)o2)cc1Cl 20145481 LOFVQGFHMUZJSI-PKNBQFBNSA-N 395.842 4.936 0 40 GJAB Fc1cc(F)cc(Cc2nnc3sc(/C=C/c4ccc(Cl)cc4)nn23)c1 20717241 LTTCNRZBOGKENI-ZZXKWVIFSA-N 388.830 4.879 0 40 GJAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cc(F)cc(F)c1 22472433 LKQLMVQQFODWJA-UHFFFAOYSA-N 378.375 4.700 0 40 GJAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl 24614682 XKMTVPZKCIHBRK-GFCCVEGCSA-N 380.271 4.575 0 40 GJAB COc1cccc(/C=C/C(=O)N[C@H](c2ccc(C)cc2)C2CC2)c1OC(F)F 25161268 ZGIGUDGJWAJHAA-DRUFCSCSSA-N 387.426 4.886 0 40 GJAB CCc1ccc([C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)c2cccs2)cc1 29429149 VUUGYXMWXJTTHV-OAQYLSRUSA-N 388.492 4.671 0 40 GJAB CSc1ccccc1NC(=O)CCN1CCC[C@@H](c2nc3ccccc3o2)C1 29828570 CXGLHCLTISEDEY-MRXNPFEDSA-N 395.528 4.758 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OCC 30870455 XZNGSVBDOHKLTM-CABCVRRESA-N 391.895 4.782 0 40 GJAB Cc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c2cccs2)cc1 32795341 YVKIOXOUFYJENN-QVKFZJNVSA-N 394.496 4.935 0 40 GJAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(OC(C)C)c2)c1 36358689 FRICJINESKAISP-IBGZPJMESA-N 377.444 4.792 0 40 GJAB Cc1ccccc1CNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38848725 LZSPFZOOWDQDJT-UHFFFAOYSA-N 391.342 4.830 0 40 GJAB Fc1ccccc1Cn1c(-c2ccccc2F)nc2cc3c(cc21)OCCO3 40151911 GEKUESYZYZASPL-UHFFFAOYSA-N 378.378 4.801 0 40 GJAB Cc1[nH]c(=S)sc1CC(=O)N(Cc1ccccc1Br)C1CC1 45455341 RGRILLLUBYLVFQ-UHFFFAOYSA-N 397.363 4.610 0 40 GJAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1 46086718 QQCDZLVCVHKHEH-UHFFFAOYSA-N 380.444 4.954 0 40 GJAB COC(=O)Nc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)c1 47711074 CWGJNCLFGVGUCB-UHFFFAOYSA-N 379.416 4.692 0 40 GJAB Cc1ccc([C@H]2[C@H](C(=O)c3ccccc3)[C@H](C(=O)c3ccccc3)CN2C)cc1 52530360 AOCPPFBBSZTNPG-SMIHKQSGSA-N 383.491 4.980 0 40 GJAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)=O)cn1 72215179 WTKIOXRQSPGWKG-CRAIPNDOSA-N 375.513 4.695 0 40 GJAB O=C(c1cccnc1)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349126 JIPXVMIGTDOWHG-LJQANCHMSA-N 391.902 4.741 0 40 GJAB O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1c(F)cccc1Cl 90607128 VPTJBMWKYSDWRQ-UHFFFAOYSA-N 398.869 4.783 0 40 GJAB Clc1ccc(OC[C@@H]2CCCO2)c(NCc2cn3cc(Cl)ccc3n2)c1 95376582 KKOUIXVJSCWAOT-INIZCTEOSA-N 392.286 4.811 0 40 GJAB O=C(CCc1ccc(C(F)(F)F)cc1)Nc1cccc(N2CCCCC2=O)c1 96103528 KSWADTVGMCGPEF-UHFFFAOYSA-N 390.405 4.794 0 40 GJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(Cl)cc2)S1 96117206 NPCPRDFXJISNMZ-GDBMZVCRSA-N 391.924 4.846 0 40 GJAB COc1ccc(-c2cc(C)nc(S[C@H]3C(=O)[C@@H]4CC[C@]3(C)C4(C)C)n2)cc1 100928215 TYYQZGMUYLJLMG-BPXKWBHBSA-N 382.529 4.947 0 40 GJAB CCOc1ccc2c(c1)c(C(=O)NCC(C)(C)c1ccccc1F)c(C)n2C 141583061 AABHYUOISBDCMC-UHFFFAOYSA-N 382.479 4.732 0 40 GJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 222487624 NGQDWODQQKODDJ-HSZRJFAPSA-N 394.559 4.568 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 222987667 WTAKUYBBZXCZSP-NHCUHLMSSA-N 376.529 4.645 0 40 GJAB Cc1cc(C)cc(OCCNC(=O)c2ccccc2OCc2ccccc2)c1 224085624 RHVYQNHUQBALGD-UHFFFAOYSA-N 375.468 4.691 0 40 GJAB CC[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc(C)cc1C 224157569 PBZDDSLJKHZHCL-FQEVSTJZSA-N 387.545 4.620 0 40 GJAB COc1cccc(CCCNC(=S)Nc2ccc(Br)c(C)c2)c1 225553299 WSEBLJMEMPJMAY-UHFFFAOYSA-N 393.350 4.685 0 40 GJAB C[C@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 225802751 LNDHMHSITQXTTL-ZDUSSCGKSA-N 389.377 4.565 0 40 GJAB CCOc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc2sc(N)nc12 226310655 BJZNPDQKUUQQMU-UHFFFAOYSA-N 382.272 4.836 0 40 GJAB O=C1/C(=C\c2ccccc2)c2cc(Br)ccc2N1CN1CCCCC1 226757192 WTPWJYVLTFBZCC-UYRXBGFRSA-N 397.316 4.780 0 40 GJAB Cc1noc(C)c1-c1cccc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 257213689 CIQZHXWSHIICOB-VAWYXSNFSA-N 387.483 4.773 0 40 GJAB O=C(c1n[nH]c2ccccc12)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257215385 CPXGKTHYGWHOHB-FQEVSTJZSA-N 386.455 4.509 0 40 GJAB CC(C)(C)OCNc1c(CC(=O)OC(C)(C)C)cccc1OC(F)(F)F 390823153 UNIFUFUFFPSTJJ-UHFFFAOYSA-N 377.403 4.654 0 40 GJAB CCc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)CC)cc3)CC2=O)cc1 408653156 FCAHPBYESJKJEP-GOSISDBHSA-N 379.500 4.895 0 40 GJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCC(C)C)cc3)S2)cc1 408768251 DGDKREOBBHRHGK-VLOXRPPESA-N 382.529 4.883 0 40 GJAB O=C(CCCc1cccs1)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 524445757 RGLDIDBLEIBSSG-UHFFFAOYSA-N 375.497 4.931 0 40 GJAB C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ocnc1C(F)F 626214114 BRATXWHMJZJUJM-KSSFIOAISA-N 382.410 4.831 0 40 GJAB CC(C)(C)SCc1nnc2sc(-c3cccc(Br)c3)nn12 1501040558 XEAWMQPWLPOZHW-UHFFFAOYSA-N 383.340 4.647 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775977579 IXOJFPDBROURLQ-JOCHJYFZSA-N 387.504 4.961 0 40 GJAB CCCNCC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 1568052 WYOUSRKHSRSSFP-ZDUSSCGKSA-N 380.332 4.696 0 40 GJAB COc1cc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(C)cc2)cc1OC 2223202 OOKZNOQHVWIDJX-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)sc(C)c1C 2347017 DPMVOGOHQHMITM-UHFFFAOYSA-N 399.468 4.517 0 40 GJAB CC(C)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2)o1 2429126 ZUKUXHVDAOXWFK-UHFFFAOYSA-N 383.473 4.503 0 40 GJAB Brc1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1 2454512 CWCHJLMBSMKISJ-UHFFFAOYSA-N 397.301 4.870 0 40 GJAB COc1ccc(-c2csc3ncn(CCOc4ccc(C)cc4)c(=O)c23)cc1 5010083 OHAUOGCTOJGIHY-UHFFFAOYSA-N 392.480 4.521 0 40 GJAB CN(Cc1ccccc1)C(=O)[C@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C 5063763 DUXNUQYCIUXCFM-RPBOFIJWSA-N 385.511 4.618 0 40 GJAB Cc1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1C 5237464 CPHPWESOMGSNGS-UHFFFAOYSA-N 395.462 4.973 0 40 GJAB O=C(c1ccc(F)cc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 5428590 QNNXFNHFFIXBDN-UHFFFAOYSA-N 379.435 4.851 0 40 GJAB Cc1nc(SCC(=O)NCCC2=CCCCC2)c2c(C)c(C)sc2n1 5428761 QPUPYKRBNSTWNG-UHFFFAOYSA-N 375.563 4.715 0 40 GJAB CCOc1ccc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc1OC 6207830 RXLYMOASXBEEKX-GIJQJNRQSA-N 381.472 4.607 0 40 GJAB Cc1nc(C)c(C(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)s1 6367070 FVJVQVFCAOEQFD-NRFANRHFSA-N 399.443 4.864 0 40 GJAB COc1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)ccc1F 7361128 XPTUSDSIWFEUPB-UHFFFAOYSA-N 389.473 4.786 0 40 GJAB CC[C@@H](C)c1ccc(-n2c(S[C@H](C)C(=O)OC)nc3ccccc3c2=O)cc1 7735500 WRWVDABRHJRVOQ-HUUCEWRRSA-N 396.512 4.553 0 40 GJAB Cc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1-c1ccc(F)cc1 8332381 SWFDYPGGVUVMOU-FLFQWRMESA-N 384.520 4.845 0 40 GJAB O=C(NCc1ccccc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 8476491 SWWZMIDRYSPNJC-UHFFFAOYSA-N 388.858 4.518 0 40 GJAB COc1cccc(CNC[C@H]2CCCO2)c1OCc1ccc(Cl)cc1Cl 8495446 CIMOAZBGGDRPAP-QGZVFWFLSA-N 396.314 4.850 0 40 GJAB CCN(CC)c1ccc(-c2nnc(SCc3cn4cccc(C)c4n3)o2)cc1 8725211 KOACJRJILZGDRC-UHFFFAOYSA-N 393.516 4.831 0 40 GJAB CC(C)COc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 8990781 ZRZQNLXBQLIAGB-UHFFFAOYSA-N 377.488 4.618 0 40 GJAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cccc(Cl)c3C)n2)cc1 12441135 AGQBWWHPMJHJAF-UHFFFAOYSA-N 395.890 4.599 0 40 GJAB Cc1nc(CSc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)cs1 12548956 RUUFLOKWQYOULC-UHFFFAOYSA-N 397.569 4.610 0 40 GJAB O=S(=O)(Nc1ccc(SCc2cccnc2)cc1)c1ccc(Cl)cc1 12585376 GINRIFJXQMDBOU-UHFFFAOYSA-N 390.917 4.828 0 40 GJAB Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Cl)cc2F)n1 12735016 LZFUOKHGUYNUPO-UHFFFAOYSA-N 377.828 4.715 0 40 GJAB COc1cccc(N2C[C@@H](C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2=O)c1 12848629 JMLVQOLUCVOTIE-KRWDZBQOSA-N 394.515 4.934 0 40 GJAB C[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)cc1 12897198 ABHXPEWJFNMCMA-AWEZNQCLSA-N 386.879 4.671 0 40 GJAB CC(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12929850 UUAZCULHTPOZIS-HSZRJFAPSA-N 390.508 4.537 0 40 GJAB COC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1C 13687242 UDPHSWHXYFPKQV-UHFFFAOYSA-N 375.424 4.613 0 40 GJAB Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccncc2)c1 13751553 QIGJBYYAABABFB-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB O=C(C1C[C@@H]2CC[C@H](C1)C21SCCS1)N1CC=C(c2ccccc2)CC1 14201538 RTIHUVJGBHDDSK-IHWFROFDSA-N 385.598 4.915 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccc(Cl)cc1 16262948 HSEXMQCDVAFYLZ-IBGZPJMESA-N 399.947 4.923 0 40 GJAB CCOc1ccc(NC(=O)/C=C/c2csc(-c3ccc(OC)cc3)n2)cc1 16705343 SITKXSQHUMRSRB-MDWZMJQESA-N 380.469 4.869 0 40 GJAB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)NCc1ccc(C(=O)O)cc1 20150978 JELYWDCJLHXLMV-ZRDIBKRKSA-N 381.815 4.628 0 40 GJAB COc1ccc(CN2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 20403808 VIJQPAOOVCBGSG-UHFFFAOYSA-N 399.446 4.821 0 40 GJAB biogenic Cc1nn(C)c2ncc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc12 24032608 OGLXGGBXLOESGA-UHFFFAOYSA-N 399.479 4.806 0 40 GJAB O=c1nc(SCc2ccc(Cl)cc2)c2c(n1Cc1ccccc1)CCC2 27992640 NUUXBSWRAUOZCP-UHFFFAOYSA-N 382.916 4.726 0 40 GJAB O[C@H](CNc1nc(-c2cccs2)nc2ccccc12)c1ccc(F)c(F)c1 29588602 PWFJMLFFQOJMGH-QGZVFWFLSA-N 383.423 4.782 0 40 GJAB COc1ccc(C)cc1[C@H](C)NC(=O)N(C)Cc1ccccc1C(F)(F)F 32794997 FTLBGINFSVPIQW-AWEZNQCLSA-N 380.410 4.925 0 40 GJAB CCOc1ccccc1NC(=S)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 35289088 GQNWADDWAZLEBY-IHWFROFDSA-N 395.572 4.567 0 40 GJAB COc1cc(CNC(=O)c2cc3ccccc3cc2OC)ccc1OC(C)C 44899800 RIFMMZJZKNLGDN-UHFFFAOYSA-N 379.456 4.574 0 40 GJAB COc1cc(OC)c2[nH]c(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)cc2c1 48264083 SWGPRANVKZRCBH-ZDUSSCGKSA-N 378.428 4.765 0 40 GJAB Cc1c(Cl)cccc1NC(=O)Nc1c(N2CCCC2)c2ccccc2oc1=O 57630882 ARFIFUAZXNRPPK-UHFFFAOYSA-N 397.862 4.999 0 40 GJAB COc1cc(/C=N/Nc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 58625323 PSWTYLLMVHLRQT-HYARGMPZSA-N 377.400 4.628 0 40 GJAB COC(=O)c1[nH]cc(Cc2ccc(Cl)c(Cl)c2)c1C(=O)c1ccccc1 67320988 ZDVXHGZRTHVKSN-UHFFFAOYSA-N 388.250 4.930 0 40 GJAB Cc1nc(CC(=O)Nc2nc(C)c(Cc3ccccc3Cl)s2)cs1 71975763 FWTCHTIHRAEXKU-UHFFFAOYSA-N 377.922 4.642 0 40 GJAB CN(C(=O)/C=C(/c1ccccc1)C(F)(F)F)[C@H]1CCCN(c2ccccc2)C1 83855663 QXNVVVVHDHYSGS-RVPSJEOCSA-N 388.433 4.760 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(N(C)C(C)C)c(F)c3)c12 84066735 INXGUHBVVOJGIZ-UHFFFAOYSA-N 382.439 4.645 0 40 GJAB CCCCN(C)C(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037748 BZZZICVOHKHOEI-UHFFFAOYSA-N 388.515 4.894 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cccc(Cl)c2)C[C@@H](c2ccccc2O)C1 102614740 ICWNWCRWRFXGFI-ZUOKHONESA-N 392.846 4.702 0 40 GJAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]12 169620660 RHKPIYXWINNWJU-GREKMHCPSA-N 381.781 4.617 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)c1 216296218 DQSDCEOZAXYOPX-OAQYLSRUSA-N 377.440 4.813 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219378280 MRLWFBCDFXANOO-WOJBJXKFSA-N 397.515 4.888 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)COc1cccc2ccccc12 223704493 YLQJJNISSFQFRW-UHFFFAOYSA-N 377.484 4.711 0 40 GJAB Cc1ccc(OCCNC(=O)C(c2ccccc2)c2ccccc2)cc1Cl 224114827 GFBRHSBUEVGMNG-UHFFFAOYSA-N 379.887 4.976 0 40 GJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1C 224459762 KFEABFZXUYMSQY-OALUTQOASA-N 382.920 4.559 0 40 GJAB COc1ccc(Cl)cc1C(=O)NCCSCc1c(F)cccc1Cl 225035792 XIEAWJZMYFPGFV-UHFFFAOYSA-N 388.291 4.804 0 40 GJAB COc1c(Br)cc(Br)cc1-c1nc2cc(N)ccc2o1 226237643 CJDUCHSSPYVHCE-UHFFFAOYSA-N 398.054 4.611 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1 226268389 NRABNMJCYMMLQU-UHFFFAOYSA-N 381.520 4.936 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nc(N)sc2c1 226311741 CKJAATVQPHVVRO-MRVPVSSYSA-N 382.272 4.591 0 40 GJAB Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(Br)c1 227157988 APQKDKLLPMXRAS-QHHAFSJGSA-N 386.076 4.990 0 40 GJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816757 PSZQRTNFQCNAJS-XXBNENTESA-N 390.568 4.864 0 40 GJAB COc1ccc(S(=O)(=O)N[C@H](c2ccsc2)c2cccs2)cc1Cl 390826716 OXKYPIMACUIXSW-MRXNPFEDSA-N 399.946 4.540 0 40 GJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)C1=O 409016552 DNQPYMLIPYIJIU-HWQJWEFDSA-N 399.468 4.876 0 40 GJAB O=C(COc1ccc(Cl)cc1)NCCSCc1c(F)cccc1Cl 409026112 GNZNHJDPLZXATO-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB CC1(C)[C@H](c2ccccc2)CCN1Cc1coc(-c2ccc(C(=O)O)cc2)n1 580206096 OVMOGEZBFJJCAZ-FQEVSTJZSA-N 376.456 4.808 0 40 GJAB CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)Cc2ccc(-n3cccc3)cc2)cc1 1544739274 WJDUOYFVFUNWNR-UHFFFAOYSA-N 398.510 4.647 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)CCOc2ccccc2)CN1c1cccc(F)c1 1615156805 LBHZLBKRJQFXTC-DEOSSOPVSA-N 396.506 4.645 0 40 GJAB Cc1cc(C)nc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 1848353667 MNGUIJIUWOBPRY-JOCHJYFZSA-N 387.483 4.796 0 40 GJAB CC(C)=CCN1C(=O)N(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc21 1889116476 WYWIFMXLSWELDM-UHFFFAOYSA-N 390.892 4.750 0 40 GJAB Cc1ccc(-c2nnc(CSc3nnc(-c4c[nH]c5ccccc45)o3)o2)cc1 1332914 LYCOMASEMIHMPH-UHFFFAOYSA-N 389.440 4.869 0 40 GJAB O=C(NCCc1ccccc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 1340551 JPCKJSVXGONMPI-UHFFFAOYSA-N 385.389 4.817 0 40 GJAB CC(=O)Oc1c(C)cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1C 2059357 FBSMVHNZESZMGK-MOSHPQCFSA-N 391.467 4.871 0 40 GJAB COc1ccc([C@@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc1OC 2556198 KBIQDQBZGQWGFS-BJKOFHAPSA-N 390.435 4.606 0 40 GJAB CCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3263789 OLSHUCJDRUTYHM-UHFFFAOYSA-N 396.270 4.968 0 40 GJAB Cc1cc2cc(CN(C(=O)c3ccco3)C3CCCCC3)c(=O)[nH]c2cc1C 4231056 QKLYKUOOYZYXNM-UHFFFAOYSA-N 378.472 4.713 0 40 GJAB CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 4283595 QYNXBOURKPKWIA-HIGJEIRPSA-N 389.923 4.643 0 40 GJAB CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)[C@@H]1CC[C@H](C)[C@H](C)[C@@H]1C 5047946 DSDOVAAVIZFCDR-WIRGQOOTSA-N 381.601 4.501 0 40 GJAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cc(Cl)c2c(c1)OCCO2 6822024 YVQQHYYAEFZWRK-UHFFFAOYSA-N 393.270 4.617 0 40 GJAB Cc1c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c2ccccc2n1C 6959678 DHULZLFFVZAPOM-ZHZULCJRSA-N 376.481 4.766 0 40 GJAB CC(C)[C@@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1cccs1 7118876 VACAWKDPLVQGEE-MRXNPFEDSA-N 381.423 4.630 0 40 GJAB CCc1s/c(=N\C(=O)c2ccccc2Cl)n(C)c1-c1ccc(OC)cc1 8080537 MFUSHNGZRGPEKD-XDOYNYLZSA-N 386.904 4.719 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 8168688 XEYZNGBHMNBPGP-UHFFFAOYSA-N 392.386 4.903 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nncn2C2CC2)c2ccccc2)c1 8735488 JPUUVFJPSJELAK-IBGZPJMESA-N 378.501 4.702 0 40 GJAB O=C1[C@@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 9425893 BTIQDACSUXCHFU-DXUBNHLYSA-N 386.278 4.923 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9901927 XGFCWRLRHDRIDU-INIZCTEOSA-N 376.500 4.818 0 40 GJAB O=C(CCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1)c1ccc(F)cc1 11071783 YDNWGNYXEUUDAJ-UHFFFAOYSA-N 376.431 4.586 0 40 GJAB CCn1c(S[C@@H](C)C(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 12974013 CBCZGDDTFUGCID-ZDUSSCGKSA-N 398.553 4.720 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N(C)c3ccccc3)cc12 13016906 JMWCHMIZEAHPHZ-UHFFFAOYSA-N 379.460 4.870 0 40 GJAB Cc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@H]2c2ccccc2)cc1 15412887 VJWHVVRSUPIOCL-XMMPIXPASA-N 384.479 4.733 0 40 GJAB Cc1nn2c(-c3cc(-c4ccccc4)[nH]c(=S)n3)n[nH]c2c1-c1ccccc1 16249641 CBETWDRSDWBULQ-UHFFFAOYSA-N 384.468 4.819 0 40 GJAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(OCc2ccccc2)c1 20144950 KJAUOLWWYCORKI-UHFFFAOYSA-N 381.815 4.870 0 40 GJAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1 20714676 RHBLSVWUDSEAQA-MRXNPFEDSA-N 380.835 4.683 0 40 GJAB CC(C)c1nnc(S[C@@H](C)c2nc(C(C)(C)C)no2)n1Cc1ccco1 24048750 CXJXAWPWZUMSMJ-LBPRGKRZSA-N 375.498 4.577 0 40 GJAB C[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1cccc(C(F)(F)F)c1 26476886 KUAGQVMHCSYFAT-MRVPVSSYSA-N 395.328 4.634 0 40 GJAB CC[C@@H](Nc1ccc2c(c1)c1ccccc1n2CC)C(=O)Nc1cc(C)on1 28625728 VKMQRPSOFQTLRO-GOSISDBHSA-N 376.460 4.940 0 40 GJAB CCOc1cc(/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)ccc1O 32790109 JJMGQPUVQYCTEL-XSFVSMFZSA-N 399.446 4.827 0 40 GJAB O=C(OCc1csnn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 32915481 VDERQMBYGLUYAT-UHFFFAOYSA-N 381.844 4.764 0 40 GJAB COc1cc(-c2nc3cccc(C)n3c2Nc2ccccc2)cc(OC)c1O 35615727 RQZXRAYUCVPVAD-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB CCOC(=O)c1c(/C=C/c2sc(N(CC)CC)nc2Cl)cccc1OC 35973611 OFKFPLFHOCJCKF-VAWYXSNFSA-N 394.924 4.998 0 40 GJAB O=C(CCc1ccccc1Cl)Nc1cc(N2CCCC2=O)ccc1Cl 40090713 KJDJVIRRJNLZMC-UHFFFAOYSA-N 377.271 4.692 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)NC1CCN(Cc2ccccc2)CC1 40095859 FIGPDLOGWRJNTM-UHFFFAOYSA-N 378.303 4.780 0 40 GJAB O=C(CSCc1cc(-c2ccc(Cl)cc2)no1)N1CCc2ccccc21 48260189 OTBJBQIKCKNPQD-UHFFFAOYSA-N 384.888 4.818 0 40 GJAB COc1cccc([C@@H]2CCCN2C(=O)c2cc(C)n(Cc3ccco3)c2C)c1 48273181 SEEAABHEBQSMQL-QFIPXVFZSA-N 378.472 4.732 0 40 GJAB Cc1ccc([C@@H](NC(=O)COCc2nc3ccccc3s2)C(F)(F)F)cc1 48304106 IHIVRDDDNOHRDC-GOSISDBHSA-N 394.418 4.541 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)c(OC)c1 48331500 RXVMLTLWVWQEPK-UHFFFAOYSA-N 392.864 4.943 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364556 LYTOBKUUCWRZKY-INIZCTEOSA-N 378.859 4.807 0 40 GJAB CC(C)n1ncc2cc(C(=O)O[C@H](C)c3nc4ccccc4n3C(F)F)cnc21 54277393 RFDPACKDKHZSRB-GFCCVEGCSA-N 399.401 4.675 0 40 GJAB Cc1cc(C)n(-c2nc3c(cc(C)c4nc(-n5nc(C)cc5C)sc43)s2)n1 57327737 RPVAQPCORQYJAS-UHFFFAOYSA-N 394.529 4.820 0 40 GJAB Cc1cc(C)n(CCCNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)n1 57350023 QQJIGZMEZOYJEA-JUJAOGAQSA-N 391.559 4.544 0 40 GJAB Cc1cc(SCC(=O)N2CCCc3ccccc32)nc(-c2cccc(F)c2)n1 67257261 ZUPHCYBVFOKSER-UHFFFAOYSA-N 393.487 4.663 0 40 GJAB CCO[P@](=O)(C(NC(=O)c1ccccc1)=C(Cl)Cl)N1CCCCC1 72238704 XYSAOWOUNIIYAL-XMMPIXPASA-N 391.235 4.736 0 40 GJAB COc1ccc(-c2coc3cc(OCc4cnc(C)s4)ccc3c2=O)cc1 95457393 MOIUZWRAUPGZAU-UHFFFAOYSA-N 379.437 4.813 0 40 GJAB Cc1cc(NC(=O)c2cc(F)ccc2Br)cnc1N1CCCCC1 95462447 UEKIXSMCUWCQJA-UHFFFAOYSA-N 392.272 4.534 0 40 GJAB CCN1C/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3c(C(=O)O)c2C1 96767614 FRJRNYLAKZNLHP-PTNGSMBKSA-N 378.859 4.963 0 40 GJAB COc1ccc(C(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1 101095142 NTQFLASBQILTGC-UHFFFAOYSA-N 392.455 4.799 0 40 GJAB COc1cccc(-c2c(NC(=O)c3cccs3)oc3ccccc3c2=O)c1 101192161 CMCAQQYIKZYRLH-UHFFFAOYSA-N 377.421 4.782 0 40 GJAB O=C(NCCSCc1ccccc1)c1cccc(OCc2ccccc2)c1 218975783 NNZYGQCUOABMOZ-UHFFFAOYSA-N 377.509 4.929 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 219043757 PELKHDQLWMTZER-SFHVURJKSA-N 377.484 4.755 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(C)c(Cl)c1 224165457 JDTBDKDPVWTMDQ-IBGZPJMESA-N 375.896 4.618 0 40 GJAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1 224374217 JZPBHICKGOSYIG-LEWJYISDSA-N 376.529 4.721 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224428823 HJBVXCAOROECAZ-WOJBJXKFSA-N 394.519 4.954 0 40 GJAB CCc1ccc(CC)c(CNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 224922909 QFZGWWLCXRAYJH-LJQANCHMSA-N 378.560 4.973 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 225824881 WUECJXKJUQQGSA-NRFANRHFSA-N 379.497 4.576 0 40 GJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225838969 DSMUVEGQRINAJW-VFNWGFHPSA-N 379.497 4.574 0 40 GJAB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cccc(O)c3)C[C@@H]21 227487004 UYNIDVCEECNRFJ-AVRDEDQJSA-N 376.412 4.626 0 40 GJAB COCCn1c(C)cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c1C 409143340 LVJDBWJJHJZISU-BOPFTXTBSA-N 390.892 4.646 0 40 GJAB Cn1c([C@@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)nc2ccccc21 530772059 PZJCTTPEYXYWQK-HNNXBMFYSA-N 380.801 4.982 0 40 GJAB CCc1nc2ccccc2n1Cc1noc([C@H]2C[C@@H]2c2cccc(F)c2F)n1 546595509 ACRKKDUSXPGQIZ-KGLIPLIRSA-N 380.398 4.579 0 40 GJAB Cc1nnc(CN(C)C(=O)Nc2ccc(C)c(OCC3CCCCC3)c2)s1 666168452 YWCMWWJFNDLOPS-UHFFFAOYSA-N 388.537 4.778 0 40 GJAB CC(C)c1ccc(CN2CCCC[C@H]2C2CCN(C(=O)OCCF)CC2)cc1 2056225574 RKFSUHXAMGULFN-QFIPXVFZSA-N 390.543 4.983 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)c2cccs2)CC1 783925 YIWLUGBSERLLOY-UHFFFAOYSA-N 383.300 4.546 0 40 GJAB c1ccc(CN2CCC(Nc3ncnc4sc5c(c34)CCCC5)CC2)cc1 1027625 NIGCTPRDFRYERN-UHFFFAOYSA-N 378.545 4.647 0 40 GJAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 1092978 AFIKJLLECSYZEE-ZQFKLAOWSA-N 379.459 4.647 0 40 GJAB biogenic CC(C)[C@H]1Cc2c(sc3nc(SCc4ccc(F)cc4)nc(N)c23)CO1 2226753 UHLQZYSKIYSZEX-CQSZACIVSA-N 389.521 4.802 0 40 GJAB COC(=O)c1c(NC(=O)c2cc3ccccc3cc2OC)sc2c1CCCC2 2357347 KZAXSUPVIKINAB-UHFFFAOYSA-N 395.480 4.828 0 40 GJAB Cc1ccc(NC(=O)c2c(N)n(-c3ccccc3)c3nc4ccccc4nc23)cc1 2411147 RQWJRTCMFXLCJL-UHFFFAOYSA-N 393.450 4.717 0 40 GJAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)cnc1Cl 2564911 YDCUZGHEYGBMIR-UHFFFAOYSA-N 395.098 4.822 0 40 GJAB O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccccc1F 2917642 SOMCAAPUKZYRDO-UHFFFAOYSA-N 379.869 4.728 0 40 GJAB COc1cccc([C@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)c1OC 3120627 HSKMFDCQHIEQDI-RPWUZVMVSA-N 390.435 4.606 0 40 GJAB CCc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccc(Cl)cc3)C2)cc1 4009231 GMHJRNXTYLHMIS-FQEVSTJZSA-N 398.890 4.835 0 40 GJAB COc1cccc2cc(-c3nnc(Nc4ccc(Cl)cc4)s3)c(=O)oc12 4588741 AXMWBPXYLDAXNK-UHFFFAOYSA-N 385.832 4.717 0 40 GJAB CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccncc1 5271344 VOHZJNVEQRDMGY-CQSZACIVSA-N 391.500 4.513 0 40 GJAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1cc(Cl)cc(Cl)c1 5505362 BHDOYOWBOXGHLE-UHFFFAOYSA-N 390.222 4.648 0 40 GJAB O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)c1cccs1 6993086 SUNRQBLMVAIFGU-UHFFFAOYSA-N 397.550 4.956 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)N[C@@H](c1ccc(F)cc1)c1cccs1 7221783 RBOUSCABVMVCPJ-IBGZPJMESA-N 397.500 4.761 0 40 GJAB C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(Cl)cc1Cl 8303645 UCKVKVKBDAKANO-CYBMUJFWSA-N 391.298 4.607 0 40 GJAB O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1cccc(F)c1 8822142 MIPAICPKODIQDF-UHFFFAOYSA-N 379.869 4.875 0 40 GJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(OC[C@@H]2CCCO2)cc1 9836462 NKUGQFSBHGHUBS-IBGZPJMESA-N 395.455 4.538 0 40 GJAB c1cncc(Oc2nc(CN3CCCCC3)nc3sc4c(c23)CCCC4)c1 12543796 NDLDNIINICTPAF-UHFFFAOYSA-N 380.517 4.743 0 40 GJAB COc1ccc([C@H](NCc2nnc(-c3cc(C)oc3C)o2)c2ccccc2)cc1 12781141 SEYDEZSYOJPJSF-JOCHJYFZSA-N 389.455 4.834 0 40 GJAB C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(F)cc1F 15356156 WEFMGRMYIDHENF-NSHDSACASA-N 376.403 4.647 0 40 GJAB CC1(C)c2nc(N3CCCCC3)sc2Cc2sc(N3CCCCC3)nc21 16605496 PIQZFAVRPNYKCX-UHFFFAOYSA-N 388.606 4.810 0 40 GJAB Cc1nn([C@H](C)CC(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)c(C)c1C 19556224 PVYSYHNIZVVTTF-BBKSBRGRSA-N 379.548 4.848 0 40 GJAB CC(C)COc1cccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 20142050 DAQCJABLBLFZDS-UHFFFAOYSA-N 382.243 4.979 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](c2ccccc2)C2CC2)cc1 22134927 LRMXVLPECUIAFM-XMMPIXPASA-N 390.483 4.680 0 40 GJAB O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccccc1F 22458250 NZSQOHPCYAWFJI-UHFFFAOYSA-N 389.386 4.707 0 40 GJAB Nc1c(Cl)c(Cl)nc(C(=O)OCc2ccc(C(F)(F)F)cc2)c1Cl 24762967 VSBSAUFVTFZYPE-UHFFFAOYSA-N 399.583 5.000 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccnc1Oc1ccccc1 25384386 UEFFSHZRKDAMCS-LJQANCHMSA-N 393.512 4.502 0 40 GJAB O=C(C[C@@H]1C=CCC1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 30181353 KWFHNHINWLVEIN-QGZVFWFLSA-N 384.520 4.555 0 40 GJAB C[C@@H](NC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1)c1ccc(F)cc1 32933015 XRTLDNAKGLMFQV-MRXNPFEDSA-N 391.446 4.638 0 40 GJAB Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3cccs3)n2)cc1 33324973 RUKLBHRDZCLGBG-UHFFFAOYSA-N 391.452 4.791 0 40 GJAB O=C(O)[C@H]1CS[C@H](c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)N1 33479312 FRSPVSUUNAPNSE-YLJYHZDGSA-N 399.899 4.860 0 40 GJAB CCn1nccc1CNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 36614040 HYJGPHVEYMVKCU-UHFFFAOYSA-N 381.789 4.644 0 40 GJAB O=c1cc(-c2ccc(F)cc2)nc2n(Cc3ccc(F)cc3)c3ccccc3n12 40484798 DGNFJQBUOQZDOH-UHFFFAOYSA-N 387.389 4.643 0 40 GJAB COc1ccc(OCc2ccccc2)c(/C=C2/N=C(c3cccc(C)c3)OC2=O)c1 41108841 VZNPNJZXMBDXDA-PXLXIMEGSA-N 399.446 4.927 0 40 GJAB Cc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1C(=O)N1CCCC1 46909761 NOHUWMUWFZOYPR-UHFFFAOYSA-N 377.271 4.790 0 40 GJAB Cn1ccnc1-c1nc(NCc2ccccc2Cl)ncc1-c1cccc(F)c1 57775453 RVBORARHEPHYIH-UHFFFAOYSA-N 393.853 4.949 0 40 GJAB O=C(NCCCOCc1ccco1)Nc1ccccc1N1CCc2ccccc21 58119330 KHLIIHBOYNSVMC-UHFFFAOYSA-N 391.471 4.702 0 40 GJAB O=C(NCCCN1c2ccccc2Sc2ccccc21)NCc1cccnc1 60895087 XHKKMNXMSHYCGU-UHFFFAOYSA-N 390.512 4.574 0 40 GJAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1cc(F)ccc1F 67296300 SPTZZIQECCEYRX-DAFNUICNSA-N 377.350 4.591 0 40 GJAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3cc(F)c(F)c(F)c3)o2)n1 79488503 KDRWFFHUXXWONF-UHFFFAOYSA-N 393.390 4.648 0 40 GJAB COc1cccc(CCCN(C)CC2CCN(C(=O)Nc3ccccc3)CC2)c1 89346106 IPWIONBKKPZWAX-UHFFFAOYSA-N 395.547 4.504 0 40 GJAB CC(=O)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1cn(-c2ccccc2)nc1C 89544371 WVPAAJWJXQBXBR-OAQYLSRUSA-N 378.863 4.532 0 40 GJAB Cc1nncn1-c1cccc(NC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)c1 89740971 CYWNFNMVEDDUCM-CYBMUJFWSA-N 388.393 4.727 0 40 GJAB C[C@@H](Nc1c(C(=O)N2CCOCC2)cnc2ccc(Cl)cc12)c1ccccc1 95471170 LGGVBDKGKNMYMT-OAHLLOKOSA-N 395.890 4.534 0 40 GJAB CSCC[C@@H](NCCCc1cccc2ccccc12)c1nnc2ccccn12 95941207 FRUCLZZDJDCFHZ-OAQYLSRUSA-N 390.556 4.899 0 40 GJAB O=C(COc1ccccc1-c1nccs1)Nc1ccc(OC(F)(F)F)cc1 96011637 ZEIFHWMUXJWTIN-UHFFFAOYSA-N 394.374 4.726 0 40 GJAB Cc1cc(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)c(C)o1 96119742 NTLFPGZESCVGRX-UHFFFAOYSA-N 379.441 4.851 0 40 GJAB CCc1oc2ccccc2c1CN1C[C@@H]2CCC[C@@H](C1)C2(O)c1cccnc1 100148662 LPPVBSRKOXCTQO-OALUTQOASA-N 376.500 4.510 0 40 GJAB COc1cccc(-c2ccc(NC(=O)CC[C@H]3C(=O)Nc4ccccc43)cc2)c1 100783486 CLPOWHHZHXEHMR-OAQYLSRUSA-N 386.451 4.817 0 40 GJAB C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)[C@H]1C[C@H]2CC[C@H]1C2 102148809 MMGFWAGIZWNIBO-ZJQBRPOHSA-N 380.966 4.983 0 40 GJAB Cc1ccccc1-n1ncc(C(=O)Nc2cc(F)c(F)cc2F)c1C(F)(F)F 104479674 ZBXJLHOQGPSTIO-UHFFFAOYSA-N 399.294 4.869 0 40 GJAB CCCC[B-]1(N2CCCCCC2=O)c2ccccc2NC(C)=[N+]1c1ccccc1 195774745 AAYJHRCOGLQMEG-UHFFFAOYSA-N 389.352 4.727 0 40 GJAB Cc1ccc(CCCNC(=O)COc2ccc(Br)cc2Cl)cc1 218945470 SUMMFLVOTFSQPU-UHFFFAOYSA-N 396.712 4.539 0 40 GJAB Cc1ccccc1[C@H](C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 223105829 SSUYZPYGLZHUCM-SZHLLGMXSA-N 390.508 4.705 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1cccc(CN2CCCC2)c1 224590634 QCCMYFAGKZWDNY-VQHVLOKHSA-N 389.326 4.919 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSc2ccc(C)cc2)c1 225286760 DHROPBUWFBCSBK-UHFFFAOYSA-N 388.558 4.559 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 225492473 VZPDPWTUJJQNBW-OFNKIYASSA-N 394.559 4.568 0 40 GJAB COc1cccnc1NC(=S)N[C@@H](c1ccccc1)c1ccc(C)cc1C 225769770 XKGHSWQESRHCLT-FQEVSTJZSA-N 377.513 4.783 0 40 GJAB COc1c(F)c(F)c(C(=O)Nc2nc(-c3ccccc3)cs2)c(F)c1F 408622642 QEDAXEHXZGRUKA-UHFFFAOYSA-N 382.338 4.627 0 40 GJAB CC(C)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 408749641 IEXKCFHTLMLWCX-UHFFFAOYSA-N 386.498 4.995 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC(Nc2ccc(F)cc2)CC1 507251190 HZEPIUFDJFIDOY-OAHLLOKOSA-N 389.902 4.691 0 40 GJAB Cn1nccc1NC(=O)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 590230713 RVWALGDHXKTFNR-UHFFFAOYSA-N 392.890 4.648 0 40 GJAB O=C(NCC1(c2ccsc2)CCOCC1)Nc1cccc(C(F)(F)F)c1 952989503 HIQKOADCKKOZOX-UHFFFAOYSA-N 384.423 4.637 0 40 GJAB CCCc1ccc([C@@H](NC(=O)[C@@H](O)c2cccc(OC)c2)c2cccs2)cc1 1540009456 GCNFWJHYJYALHZ-YADHBBJMSA-N 395.524 4.648 0 40 GJAB Cc1ccc([C@H]2CCCCN2C(=O)NC[C@]2(C)OCCc3ccccc32)cc1 1684959170 QNLPQOWDVYERHW-VWNXMTODSA-N 378.516 4.720 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccccc1 670975 VGUPFBSRUAVCAE-UHFFFAOYSA-N 380.831 4.610 0 40 GJAB COc1ccc(C(=O)NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc1 675674 YTCIIOKENVMYGF-UHFFFAOYSA-N 377.469 4.566 0 40 GJAB C[C@H]1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2N1C(=O)c1ccccc1 1381822 HUCSZHXNBPCDPM-INIZCTEOSA-N 390.870 4.922 0 40 GJAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)cc1 2255401 IBYHDNPEVLZJHW-UHFFFAOYSA-N 394.434 4.715 0 40 GJAB Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccn1 2403576 WMFDHVNJLDDRHQ-UHFFFAOYSA-N 386.480 4.519 0 40 GJAB COC(=O)c1c(NC(=O)c2csc3c2CC[C@@H](C)C3)sc2c1CCCC2 2708149 RCYMLHHKBWXGKI-LLVKDONJSA-N 389.542 4.852 0 40 GJAB CCOc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1 2723693 ZPLFWACMCXBYRS-UHFFFAOYSA-N 387.892 4.655 0 40 GJAB Cc1ccnc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)c1 2739468 SEOQWEJMRRGPAH-UHFFFAOYSA-N 387.233 4.577 0 40 GJAB C[C@@H]1CCc2c(sc3ncn4nc(-c5ccc(OC(F)F)cc5)nc4c23)C1 2790230 HYPFKUYHIWXDQP-SNVBAGLBSA-N 386.427 4.732 0 40 GJAB O=C(COC(=O)c1cccnc1Nc1ccccc1F)c1ccc(Cl)s1 3279976 ZYSZNQNQSVWWDL-UHFFFAOYSA-N 390.823 4.719 0 40 GJAB Clc1ccc(-c2nnc(SC[C@@H]3CCCCO3)n2Cc2ccco2)cc1 3412908 NPCOSHNOPNTNFU-KRWDZBQOSA-N 389.908 4.901 0 40 GJAB Cc1ccc(-c2nc3c(C)cccn3c2CN(CCO)Cc2ccccc2)cc1 4551321 HVZLATFPVYLKMN-UHFFFAOYSA-N 385.511 4.613 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccncc2)n2c(nc3ccccc32)N1 4735673 VRXJSTDYIJNGIA-JOCHJYFZSA-N 395.466 4.667 0 40 GJAB C[C@@H]1C[C@@H](C)CN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)C1 4980747 SYIANJXEGMWYPP-HZPDHXFCSA-N 378.495 4.897 0 40 GJAB COc1ccc(-c2nnc(SCC(=O)c3cc(C)c(C)cc3C)o2)cc1OC 5019138 GDYQMZNGOMBRCG-UHFFFAOYSA-N 398.484 4.654 0 40 GJAB COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)c1 5256079 PWHIOKSHCLYWJQ-FQEVSTJZSA-N 381.863 4.787 0 40 GJAB Cc1cccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccccc3)OC2=O)c1 5815333 DIKBJQRJMBTZGJ-HMMYKYKNSA-N 383.403 4.559 0 40 GJAB Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc(-c3cccnc3)ccc12 5899191 OWTZJTWXRSCQDS-UHFFFAOYSA-N 380.860 4.846 0 40 GJAB CN1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 6228386 FYVHZQWTOUNDJB-UHFFFAOYSA-N 395.890 4.604 0 40 GJAB C[C@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)N1CCCC1 6364852 ASPTWZPAXWUECD-LBPRGKRZSA-N 387.505 4.600 0 40 GJAB c1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2C2CC2)cc1 6985313 COIWSHZNFTXDGY-UHFFFAOYSA-N 381.486 4.549 0 40 GJAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1cc(F)ccc1F 7014640 CAKZCVFEKLVXOA-UHFFFAOYSA-N 399.777 4.768 0 40 GJAB CS(=O)(=O)Nc1ccc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)cc1 7109567 CPJBCKOBDITARL-UHFFFAOYSA-N 397.884 4.718 0 40 GJAB C[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)NC1CCCC1 7220521 OSGSGLWWPXLSQZ-OAHLLOKOSA-N 379.529 4.746 0 40 GJAB COc1cc(C(=O)O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 7604184 LSZRWVGLKKMXOF-UHFFFAOYSA-N 391.685 4.766 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ncnc3sc(C)c(C)c23)c1C 7643758 QDEUCETWRIZYTO-ZDUSSCGKSA-N 387.530 4.819 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 7928849 KLZSNBZFLQVZQY-CVDCTZTESA-N 399.490 4.793 0 40 GJAB Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)oc2ccccc12 8135828 XEMDRYFUSWGJHV-GOSISDBHSA-N 379.847 4.648 0 40 GJAB CCc1ccc(-c2noc(CSc3nnc(-c4ccc(OC)cc4)o3)n2)cc1 8394591 UVLWRVDCHWMPLH-UHFFFAOYSA-N 394.456 4.650 0 40 GJAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c1 8562754 UEEDYCAWCBNCNS-MRXNPFEDSA-N 377.440 4.777 0 40 GJAB CCCn1nc(NC(=O)c2ccccc2Cl)c2cc3cc(OC)ccc3nc21 9286643 FRZFEYRTNLNAMW-UHFFFAOYSA-N 394.862 4.909 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H]1CCSc2ccccc21 9752456 LTMIOGSAQIOJMD-IBGZPJMESA-N 377.513 4.515 0 40 GJAB COc1cc(CCC2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)cc(OC)c1 10030738 FAEKBPXAYZPCRN-UHFFFAOYSA-N 397.515 4.506 0 40 GJAB CCOc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254585 DGBXMCIJMUCKRR-UHFFFAOYSA-N 386.879 4.991 0 40 GJAB COc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nc(C)n1 12225720 CSWUEIAADPWDKR-UHFFFAOYSA-N 381.411 4.629 0 40 GJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2oc3ccccc3c2C)CC1 12292870 CUSKZGNMASPEJK-UHFFFAOYSA-N 380.463 4.508 0 40 GJAB O=C(Nc1ccccc1Br)C1=C(c2ccccc2)SCCO1 12407656 CEQUNOLEUJOVSY-UHFFFAOYSA-N 376.275 4.520 0 40 GJAB COC(=O)c1cc2ccccc2cc1OCc1nc(-c2cccc(Cl)c2)no1 12983070 YPWWYZOVORQICA-UHFFFAOYSA-N 394.814 4.909 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 13668519 BSRRXMYQKMAWDK-MRXNPFEDSA-N 383.488 4.875 0 40 GJAB COc1ccc2cc(C(=O)Nc3nnc(C4CCCCC4)s3)c(C)nc2c1 19715209 XYQYWZUTVDSMKM-UHFFFAOYSA-N 382.489 4.703 0 40 GJAB CCCc1c(C(=O)OCC)nnc2c(-c3cccc4ccccc34)c(CC)nn12 20633784 ZAWDLBVPADQTOH-UHFFFAOYSA-N 388.471 4.636 0 40 GJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)Cc1nnsc1Cl 22970171 HYFAJQMQSZEQLN-ZDUSSCGKSA-N 386.908 4.637 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3nc4c(C)cc(C)cc4s3)no2)cc1 27579931 NDRBWEMOWROIPR-UHFFFAOYSA-N 379.441 4.829 0 40 GJAB CCc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)c2ccccn2)cc1 27663232 KFDLWPNDFDRXLO-UHFFFAOYSA-N 384.435 4.597 0 40 GJAB COc1cccc([C@@H]2CC(O)=Nc3nc(N)sc32)c1OCc1ccccc1F 32074551 GYJULAUORBLCHA-ZDUSSCGKSA-N 399.447 4.576 0 40 GJAB CCOC(=O)c1c(NC(=O)c2c(C)noc2-c2ccccc2)sc(C)c1C 32624564 VQOHFLHDYVMWKK-UHFFFAOYSA-N 384.457 4.757 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(c2c(F)cccc2Cl)=NO1 36615434 CAZNEMORAWJZOJ-CQSZACIVSA-N 386.732 4.630 0 40 GJAB Cc1ccc(C)c([C@H](C)NCC(=O)N(Cc2ccccc2)Cc2ccco2)c1 49605835 FCLKQQJYSMBKRV-FQEVSTJZSA-N 376.500 4.776 0 40 GJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN([C@@H]1CCCc2ccccc21)CO3 57122030 YPDPONXPYQDVCG-OAQYLSRUSA-N 375.468 4.893 0 40 GJAB O=C(Nc1ccccc1N1CCCCC1)N(Cc1cccs1)C[C@H]1CCCO1 57891983 BNTCAPFNIFOLRH-GOSISDBHSA-N 399.560 4.952 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)NC1CCCCCCC1 58121412 JMZAYKBDJCRQOM-UHFFFAOYSA-N 378.538 4.637 0 40 GJAB CCc1onc(C)c1-c1nc(N2C[C@H](C)C[C@@H](C)C2)ncc1-c1ccncc1 72342883 JYKFIZMFFSMTCW-HUUCEWRRSA-N 377.492 4.547 0 40 GJAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 72356083 NVFGPWJYEJHVQZ-QHCPKHFHSA-N 385.511 4.704 0 40 GJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)c2nc3ccccc3s2)C1 77200200 DPCPUSCCSDWXJS-HOTGVXAUSA-N 395.484 4.586 0 40 GJAB C[C@H](NC(=O)CSCc1cccc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 105920784 MNFMKNHOQGCCDG-GZIXRCOHSA-N 382.367 4.623 0 40 GJAB Cc1cccc(CCCNC(=O)COc2ccc(Br)cc2Cl)c1 218945536 LWWPXOWMSLFRMP-UHFFFAOYSA-N 396.712 4.539 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219378500 MRLWFBCDFXANOO-PMACEKPBSA-N 397.515 4.888 0 40 GJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccccc1 224924463 LHCJTARISPJJSH-NCJDQSJGSA-N 388.467 4.626 0 40 GJAB CCOc1ccc(CNC(=S)Nc2ccc(OC(C)C)cc2)cc1OCC 225529144 NZOAHQTZNIGOCD-UHFFFAOYSA-N 388.533 4.758 0 40 GJAB Cc1cccc([C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)c1 225681100 SJPVVOCOCDTQGW-DEOSSOPVSA-N 384.479 4.641 0 40 GJAB CC(C)c1ccc(CCCNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225807571 VXFQBBRCZCYNNA-UHFFFAOYSA-N 395.572 4.856 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OCC)ccc1OCC(C)C 225819024 ZIAUWAYZISFQAV-QFIPXVFZSA-N 393.524 4.678 0 40 GJAB O=C(Cc1c(F)cccc1Cl)Nc1ccccc1-c1cn2c(n1)SCC2 253471820 FVQFRCDHIRNPIW-UHFFFAOYSA-N 387.867 4.630 0 40 GJAB CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(C)C)CC1 257301998 SAXUKEANGAALFJ-UHFFFAOYSA-N 382.523 4.662 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)N(C)C2=S)cc1 409032779 DGVMHVTVYQRTOS-QNGOZBTKSA-N 388.492 4.843 0 40 GJAB CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(F)cc4)cc3cc21 575472960 FWJGTHRLXLWAHT-UHFFFAOYSA-N 377.415 4.795 0 40 GJAB Cc1csc([C@H]2CN(C(=O)c3ccccc3Nc3ccc(F)cc3)CCO2)n1 585080095 FCVNGRCHZGVMME-LJQANCHMSA-N 397.475 4.548 0 40 GJAB CO[C@@H](C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1)[C@@H]1CCOC1 622769872 XFSDVELZDDBUAT-KZULUSFZSA-N 396.270 4.776 0 40 GJAB CCOP(=O)(OCC)[C@H]1C[C@@H]2C(=O)CCCC[C@@H]2N1Cc1ccccc1 1547139814 KPCJORJMYAPFSR-BJLQDIEVSA-N 379.437 4.612 0 40 GJAB CCc1ccc(Oc2coc3cc(OCC(=O)O[C@H](C)CC)ccc3c2=O)cc1 957130 CYOMZJASBKDVDA-OAHLLOKOSA-N 396.439 4.868 0 40 GJAB CC(C)c1nc(SCC(=O)NC(C)(C)C)c2c3c(sc2n1)C[C@H](C)CC3 1375686 FSGDWBMOFZYQNT-GFCCVEGCSA-N 391.606 4.946 0 40 GJAB NC(=O)[C@H](c1ccc(Sc2ccccc2)nn1)c1c(Cl)cccc1Cl 3851351 KNYQYXSUQUVOAS-QGZVFWFLSA-N 390.295 4.552 0 40 GJAB biogenic Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(OC(C)C)cc1 4488150 IDHCROLUXMKGMO-UHFFFAOYSA-N 378.428 4.880 0 40 GJAB Cc1ccc(C)c(CN2C(=O)[C@](O)([C@@H](C)C(=O)c3ccccc3)c3ccccc32)c1 4556269 BSENLHIMHJMTQX-SIBVEZHUSA-N 399.490 4.557 0 40 GJAB C[C@@]1(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1(Cl)Cl 4699537 PPOUGIMQYQPGDR-SFHVURJKSA-N 378.255 4.545 0 40 GJAB CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12 4735799 RKJGJGWWWQUIRF-UHFFFAOYSA-N 385.485 4.978 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 6392463 QVQOZLLAOQLEPR-SNVBAGLBSA-N 388.183 4.874 0 40 GJAB CCc1nnc(S/C(=C\c2ccc3c(c2)c2ccccc2n3CC)C(=O)O)o1 7364471 FSWJYNYRASCRDN-PDGQHHTCSA-N 393.468 4.978 0 40 GJAB Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(C)n1-c1cccnc1 7365499 OCJQSERMZJPGSC-ODLFYWEKSA-N 391.452 4.848 0 40 GJAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 7928317 FBTWYZSMIKTYNJ-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C)cc4Cl)c3)nn12 8071491 AYMOZHNSKDATCJ-UHFFFAOYSA-N 397.891 4.629 0 40 GJAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc2ccccc2c1 8075678 ZFPMMDBOKJFZPR-CQSZACIVSA-N 392.528 4.613 0 40 GJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)Nc4cccnc4)c(C)c3cc2c1C 8765125 MMRQAWBJJDZWEG-UHFFFAOYSA-N 390.439 4.739 0 40 GJAB biogenic CC(C)n1nccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 9741451 FJCWDLLJIQSWJF-UHFFFAOYSA-N 377.473 4.631 0 40 GJAB Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 10332485 WTWXSAZMKZPCKL-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCOc1cc2c(cc1NC(=O)Cc1cccc(C(F)(F)F)c1)O[C@@H](C)C2 13013011 LRIGQRLKUFOBQI-LBPRGKRZSA-N 379.378 4.609 0 40 GJAB Clc1ccccc1OCc1nn2c(-c3ccc4ccccc4n3)nnc2s1 13723141 XTAICIUPIQHLDL-UHFFFAOYSA-N 393.859 4.633 0 40 GJAB Cc1ccc(CCC2CCN(CCC(=O)N[C@H](C)c3ccccc3)CC2)cc1 15520294 IZXHKYMOFKDPQV-OAQYLSRUSA-N 378.560 4.907 0 40 GJAB CCOc1ccc(-c2cc(-c3nnc(S)n3CC)c3ccccc3n2)cc1 17077029 NTJDGPSMMIMDPR-UHFFFAOYSA-N 376.485 4.868 0 40 GJAB CCc1nn2c(C)c(C(=O)Nc3ccccc3)nnc2c1-c1ccc(Cl)cc1 20633699 VAAQQQGCPKDIDK-UHFFFAOYSA-N 391.862 4.568 0 40 GJAB CCc1ccc2nc(Nc3nc(C)c(Cc4cccc(C)c4)c(=O)[nH]3)nc(C)c2c1 20797962 FWOHVNWCOOHIPA-UHFFFAOYSA-N 399.498 4.535 0 40 GJAB O=C(Nc1ccccc1)Nc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 23399406 OIXZBCCFLPXXDM-FOCLMDBBSA-N 393.468 4.743 0 40 GJAB O=C(c1ccc(-n2ccnc2)cc1)N1CCC(c2nc3ccccc3s2)CC1 24049666 OTLBEIRDCPBTIW-UHFFFAOYSA-N 388.496 4.502 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 26686028 MTAMROLKEKCICA-UHFFFAOYSA-N 390.270 4.808 0 40 GJAB CCc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 32578494 LBFRMQMTUFHZOG-UHFFFAOYSA-N 399.450 4.984 0 40 GJAB Cc1ccc(NC(=O)COc2ccccc2/C=C2/SC(=S)N=C2O)cc1C 36612531 ANHIQQIMSFZWIK-LICLKQGHSA-N 398.509 4.650 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)s2)cc1 40009511 NZEGDYHCZUFMEU-OAHLLOKOSA-N 377.893 4.737 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 44950051 HENSSFKWDRSLOS-SFHVURJKSA-N 388.920 4.976 0 40 GJAB Cc1ccc2nc(SCc3csc(-c4cccs4)n3)n(C)c(=O)c2c1 48345507 CUZFUIKNWBELHC-UHFFFAOYSA-N 385.539 4.719 0 40 GJAB C[C@@]1(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1(Cl)Cl 58377708 GFLRKGJHONZRKG-AWEZNQCLSA-N 393.101 4.761 0 40 GJAB COc1ccc(C[S@@](=O)Cc2coc(-c3ccccc3Cl)n2)cc1F 64841537 GDYOEBAJPNRAIZ-VWLOTQADSA-N 379.840 4.592 0 40 GJAB CCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 72238461 SFSAFGZOXCVXFM-SFHVURJKSA-N 390.405 4.511 0 40 GJAB CCOc1cccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 72333550 XAPBKMHYWGYDPN-UHFFFAOYSA-N 380.517 4.719 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(C)cc(C)n2)c2ccccc2)c1 95481998 AFBQNWFHIPKCCJ-HXUWFJFHSA-N 391.496 4.768 0 40 GJAB CN1/C(=C/C(=O)Nc2ccc(Br)cc2)c2ccccc2CC1(C)C 100770076 YYCOWFJPWBHWDR-LDADJPATSA-N 385.305 4.695 0 40 GJAB biogenic CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 216321034 XIJZKWGXBBCVFP-DLBZAZTESA-N 382.504 4.744 0 40 GJAB CC(C)(C)SCCNC(=O)COc1ccc2ccccc2c1Br 218902780 MTSYPOXUMSYPSY-UHFFFAOYSA-N 396.350 4.629 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 222905039 LWWSWOPXAUEFSV-CABCVRRESA-N 396.379 4.534 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1ccc(C)c(Cl)c1 224184454 FUKPCRICTPNLEQ-IBGZPJMESA-N 396.314 4.963 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc(C)c1Cl 224259451 BIMXFBNOBZBBRV-UHFFFAOYSA-N 380.875 4.960 0 40 GJAB O=C(Nc1ccc(OC2CSC2)cc1)c1cc(Br)ccc1Cl 225074586 GHJZIJFGAYQNBK-UHFFFAOYSA-N 398.709 4.849 0 40 GJAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)NC1CCCCC1 225300146 AUSDPEDACLZKAB-SFHVURJKSA-N 399.362 4.960 0 40 GJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccc(OC)c(C)c1 225455800 CZMLKNOHRIYTKI-UWJYYQICSA-N 381.516 4.917 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 225476999 JNTSSVJUHCCRNT-NZQKXSOJSA-N 394.559 4.650 0 40 GJAB Cc1cc(NC(=S)NCCCOC2CCCCC2)ccc1Br 225617253 XICCLVUBTUEEJM-UHFFFAOYSA-N 385.371 4.783 0 40 GJAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C)n1 225876661 PBOWGMFNFNRZLU-UHFFFAOYSA-N 388.895 4.519 0 40 GJAB OCc1ccc(-c2cc(C(F)(F)F)c(Br)cc2Br)o1 226359379 CSZFLBVRMLKPOX-UHFFFAOYSA-N 399.988 4.983 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCCC[C@H]1CC 260449389 CNLOJAYYGFFSRU-IRLDBZIGSA-N 382.548 4.768 0 40 GJAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 408628375 SBSIYCGEOGDELM-RMKNXTFCSA-N 384.810 4.885 0 40 GJAB O=S(=O)(Nc1ccc(Oc2ccccn2)cc1)c1ccc2c(c1)CCCC2 505316756 LCABAYIRPXWUBM-UHFFFAOYSA-N 380.469 4.554 0 40 GJAB COc1ccccc1-c1coc2c3c(cc(O)c2c1=O)OC(=O)C[C@@H]3CC(C)C 524730221 ACGZFZYCSSJNMY-ZDUSSCGKSA-N 394.423 4.613 0 40 GJAB biogenic Cn1nc(C2CC2)nc1CNc1ccccc1Oc1ncc(Cl)cc1Cl 564799256 QKCGIDVGCYKBJH-UHFFFAOYSA-N 390.274 4.799 0 40 GJAB CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1ccccc1C(F)F 1673012657 JVFUYJMPVZTMPQ-HXUWFJFHSA-N 387.474 4.999 0 40 GJAB Cc1ccc(F)cc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N 803920 GCCYWCSNEPJGOD-UHFFFAOYSA-N 378.432 4.640 0 40 GJAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 919600 FXBKHHKGZJDQCX-BBRMVZONSA-N 390.365 4.697 0 40 GJAB Cc1c(O)ccc2c(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cc(=O)oc12 2130935 LLCKNYVFVAMTNR-UHFFFAOYSA-N 389.190 4.887 0 40 GJAB biogenic Cc1ccc(NC(=O)c2c(N)n(CC(C)C)c3nc4ccccc4nc23)cc1C 2253141 KTPXOZFJOQNFIJ-UHFFFAOYSA-N 387.487 4.692 0 40 GJAB CCN(CC)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3OC)c(C)oc2c1 2415738 OURCZASWIHGLNM-UHFFFAOYSA-N 397.427 4.743 0 40 GJAB biogenic COc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)c(OC)c1 2764614 WKQVEXUUPDGLOP-UHFFFAOYSA-N 393.439 4.617 0 40 GJAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccc(Br)cc1 3272472 SODVDPFWVILEBQ-UHFFFAOYSA-N 397.681 4.975 0 40 GJAB COc1cc2c(cc1OC)C(Cc1ccc(OCc3ccccc3)cc1)=NCC2 3847359 KHXBPASDXNYENP-UHFFFAOYSA-N 387.479 4.871 0 40 GJAB biogenic CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(OC)cc1 4078494 HJOKVOCJSICDLY-GOSISDBHSA-N 387.277 4.545 0 40 GJAB CCc1ccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 4685328 NIXOYFGRMWEGRE-IAGOWNOFSA-N 388.302 4.876 0 40 GJAB CCc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCC(C)CC2)c1 4872774 TUZCNMUIPGUMKY-PSGUAHCZSA-N 392.543 4.741 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 4902058 QIPQRRCTGYLOKK-UHFFFAOYSA-N 386.495 4.684 0 40 GJAB Cc1ccc(C)c(CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 4968174 KFUPGQOSSXHKHM-UHFFFAOYSA-N 388.437 4.904 0 40 GJAB Cc1cccc(OCc2nnc3sc(-c4csc5c4CCCC5)nn23)c1 5032343 YECXWDRTYBQBRM-UHFFFAOYSA-N 382.514 4.681 0 40 GJAB COc1ccc(CC(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 5279659 YBMIDVAWVQUJJJ-UHFFFAOYSA-N 388.876 4.662 0 40 GJAB Cc1ccc(S(=O)(=O)c2nc(N(C)C3CCCCC3)sc2Cl)cc1 5936513 IHZJQDOPRYXZTN-UHFFFAOYSA-N 384.954 4.707 0 40 GJAB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1C 6332768 XTMGPMRRJPZNST-UCQKPKSFSA-N 383.495 4.934 0 40 GJAB Cc1ncsc1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 6527620 OIZJCHPDEZKCGO-MRXNPFEDSA-N 385.876 4.618 0 40 GJAB COc1ccc(CCN2CN(Cc3ccccc3)c3nc4ccccc4n3C2)cc1 6585870 JXBZKLVNPQQLMW-UHFFFAOYSA-N 398.510 4.525 0 40 GJAB CCCCOc1ccc(C(=O)O[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)cc1 6990932 ILAVFIPOLJVZMO-AWEZNQCLSA-N 384.407 4.973 0 40 GJAB CCCCn1c(SCc2nc(-c3cccs3)no2)nc2ccccc2c1=O 7161137 ARBPLSIZLGYXDJ-UHFFFAOYSA-N 398.513 4.600 0 40 GJAB Cc1ccc(CSc2nnc(NC(=O)COc3cccc(C)c3C)s2)cc1 7166567 MHFINEONCQWMFI-UHFFFAOYSA-N 399.541 4.773 0 40 GJAB Cc1cc2oc(=O)cc(CSc3nnc(C(F)(F)F)n3C)c2cc1C(C)C 7198157 HHMYVZXDJYUGGQ-UHFFFAOYSA-N 397.422 4.664 0 40 GJAB Cc1ccc(-c2noc(SCC(=O)c3ccc(Br)cc3)n2)cc1 7610207 VFEVWAINSFFPIN-UHFFFAOYSA-N 389.274 4.783 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1 7688026 PAHTUZRCGVTZBU-CQSZACIVSA-N 385.514 4.545 0 40 GJAB Cc1ccccc1-c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 7778236 QEYKZHQMPWGHDW-UHFFFAOYSA-N 384.526 4.570 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7885897 XUZIUCIABGFZPA-FQEVSTJZSA-N 396.853 4.702 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 8395552 WWGGCZWCEWPYEM-SECBINFHSA-N 394.949 4.599 0 40 GJAB CSc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 8780257 KUIRBGHYHHERIF-UHFFFAOYSA-N 391.496 4.711 0 40 GJAB Cc1cc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)cc23)no1 8853287 IXKPTGKMJVCTDQ-UHFFFAOYSA-N 381.382 4.981 0 40 GJAB Cc1ccc(CNc2nc(Nc3ccc(C)c(Cl)c3)c3cnn(C)c3n2)cc1 9212224 AVCFIECQKJQUEO-UHFFFAOYSA-N 392.894 4.989 0 40 GJAB Cc1c(C)n(-c2nc3ccccc3s2)c2ncn3nc(-c4ccco4)nc3c12 9340491 IPGQMGACAIVZTB-UHFFFAOYSA-N 386.440 4.555 0 40 GJAB COc1ccc(Nc2ccccc2NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 9378798 MDZZCWUSYRBJTR-NRFANRHFSA-N 388.423 4.679 0 40 GJAB Cc1c(C(=O)Nc2ncc(Cc3ccccc3)s2)[nH]c2c1C(=O)CC(C)(C)C2 9640557 CVGPPNPOZSNOJW-UHFFFAOYSA-N 393.512 4.778 0 40 GJAB COc1cc2c(cc1NC(=O)c1ccc([S@](C)=O)cc1)oc1ccccc12 9677310 XTPBIHKKKSMBIZ-HHHXNRCGSA-N 379.437 4.584 0 40 GJAB Cc1cccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 9876679 JTWPSJQLNWKQHV-UHFFFAOYSA-N 380.344 4.821 0 40 GJAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)cc1F 10139791 SEGURAHKFHNYEF-UHFFFAOYSA-N 385.870 4.779 0 40 GJAB Cc1ccc(C)c(SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 11177421 DKNZFVOPMQQCRG-UHFFFAOYSA-N 380.469 4.880 0 40 GJAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(SC(F)(F)F)cc1 11515504 IVVSLYCUYIRIHG-UHFFFAOYSA-N 377.334 4.830 0 40 GJAB Cc1cccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)c1C 12227102 GKVXNETWYONORN-UHFFFAOYSA-N 389.377 4.944 0 40 GJAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(Cl)ccc3Cl)n2)C1 12793530 WBAIXKCUWQRDSM-NSHDSACASA-N 384.332 4.934 0 40 GJAB O=C(Nc1ccc(Cl)cc1F)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12912625 PNAXYAIAVJNVRE-UHFFFAOYSA-N 387.817 4.935 0 40 GJAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3)n2)cc1 14609531 IKLLSUKDQALFJS-UHFFFAOYSA-N 398.466 4.894 0 40 GJAB O=C(Oc1ccccc1-c1cc(=O)n2c(n1)CCCCC2)c1ccccc1Cl 16769046 LMHXPQCWFMYZJA-UHFFFAOYSA-N 394.858 4.509 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)Cn1c(C)nc2c(sc3ccccc32)c1=O 16841897 MHZDBVNYMAGNDW-UHFFFAOYSA-N 397.887 4.520 0 40 GJAB COc1cccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 19934762 IWTVQLSQZAMGSX-JPYJTQIMSA-N 375.468 4.677 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 20105383 PDVZFVHYNYZBLR-UHFFFAOYSA-N 387.785 4.947 0 40 GJAB Cc1[nH]c2ccc(C(=O)Nc3nc(CN4CCC[C@@H](C)C4)cs3)cc2c1C 22191897 GTMHPEJITFCIBW-CYBMUJFWSA-N 382.533 4.725 0 40 GJAB O=C(NCc1cccc2ccccc12)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 22504302 YJXOWOGCTBCGNB-UHFFFAOYSA-N 399.494 4.851 0 40 GJAB CNC(=O)c1cccc(CNc2nc(C)nc3scc(-c4cccs4)c23)c1 26729230 MEALZQLKOJSTSY-UHFFFAOYSA-N 394.525 4.700 0 40 GJAB O=C(NCC1CCCCC1)c1ccccc1SCc1cn2ccccc2n1 28270864 OHTRNHTUAYFBSW-UHFFFAOYSA-N 379.529 4.937 0 40 GJAB CCCOc1ccccc1C(=O)NC[C@H](c1ccc(CC)cc1)N1CCCCC1 28293433 OYPFWDJCTRCHEP-HSZRJFAPSA-N 394.559 4.995 0 40 GJAB O=C(CN[C@H](c1ccc2c(c1)CCC2)c1cccs1)N1CCc2ccccc21 28650505 XLLZBXNMPYMGDO-XMMPIXPASA-N 388.536 4.505 0 40 GJAB CCOc1ccc(-c2nc(CS[C@@H](C)C(=O)NC(C)(C)C)cs2)cc1 31412669 WQHMEGXRNFPVJZ-ZDUSSCGKSA-N 378.563 4.745 0 40 GJAB COc1cccc(NC(=S)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 35311525 QNBPKLZYCOCQDU-UHFFFAOYSA-N 388.920 4.640 0 40 GJAB COc1ccccc1-c1nnc(C2CCN(C(=O)Nc3ccccc3)CC2)s1 35597026 SLKPIGKXUPSCQV-UHFFFAOYSA-N 394.500 4.625 0 40 GJAB Cc1sc2ncnc(Sc3ccccc3C(=O)NCC(F)(F)F)c2c1C 44196146 GTTVTWVJTOXAGV-UHFFFAOYSA-N 397.447 4.751 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(C(F)(F)F)cc1 51364542 ZVYJKFVVOUADHC-QGZVFWFLSA-N 398.384 4.864 0 40 GJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(F)c(OC)c1)NC2 55028083 AGRIWUOLHCLZRR-QHCPKHFHSA-N 396.462 4.615 0 40 GJAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NCCc5cccs5)(C4)C2)C3)cc1 58112343 JHZBUTNMXCOMCJ-ISVJADKWSA-N 395.568 4.954 0 40 GJAB CN(Cc1csc(-c2ccccn2)n1)Cc1cc(Br)cs1 58147983 QDYGPRYYMHVDLI-UHFFFAOYSA-N 380.336 4.661 0 40 GJAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2CCCOCC)cc1 67259159 BWSAXVBCDGWWJN-UHFFFAOYSA-N 380.513 4.758 0 40 GJAB C[C@H]1CCCN(C(=O)CC2(CC(=O)N3CCC[C@@H](C)CC3)CCCC2)CC1 78528504 JSIFUNCNDMRTCQ-BGYRXZFFSA-N 376.585 4.624 0 40 GJAB O=C(OCC(=O)c1cc(F)ccc1F)c1ccc(-c2ccccc2F)s1 89821258 QTCLTIPHCOZYJQ-UHFFFAOYSA-N 376.355 4.872 0 40 GJAB COc1ccc(N(C)c2ccc3ccc(C(=O)NCc4ccc(C)o4)cn23)cc1 96146226 UEIYEYXQEPOBBT-UHFFFAOYSA-N 389.455 4.547 0 40 GJAB CCC(CC)NC(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96154636 VXHBTVYUECPEON-UHFFFAOYSA-N 398.532 4.860 0 40 GJAB Cc1nn(-c2ccccc2)c(NC(=O)c2cccs2)c(-c2ccccc2)c1=O 101267534 YTEDGAKPDZQUEM-UHFFFAOYSA-N 387.464 4.522 0 40 GJAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1 222821251 BRGVGDZUEYQTSW-NHCUHLMSSA-N 376.529 4.562 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 223207937 SYSRMNAEXOMXAF-IFXJQAMLSA-N 391.895 4.700 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 224270169 NSXBIOFNYMSFJY-UHFFFAOYSA-N 387.892 4.999 0 40 GJAB O=C(c1ccc(-c2ccccc2)cc1)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2 238957192 YCAHWMSPCPTSEB-VXKWHMMOSA-N 384.479 4.963 0 40 GJAB Cc1ccccc1CN1CCC(c2cncc(Nc3nc(C)c(C)s3)n2)CC1 257237485 HGRGZXQHZQPZKX-UHFFFAOYSA-N 393.560 4.982 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 408705342 COMXVMSKEGDHRF-OAHLLOKOSA-N 388.895 4.503 0 40 GJAB Cc1cc2cc[nH]c2cc1NC(=O)N1CC(Cc2ccccc2Br)C1 626525048 YJQAYIHFSJBIBT-UHFFFAOYSA-N 398.304 4.945 0 40 GJAB CC[C@@H](C)NC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 1383668 HXERARAIXDPHBE-XETPBLJFSA-N 388.305 4.956 0 40 GJAB Cc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2cnccn2)cc1 2441103 GCWZYKAZROHYHH-UHFFFAOYSA-N 387.512 4.942 0 40 GJAB CCOc1ccc(C(=O)CSc2nnc(NCc3ccccc3)s2)cc1 2660749 PZUNOFUCGMWNMG-UHFFFAOYSA-N 385.514 4.524 0 40 GJAB Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCCCC3)o2)c1 2696702 UOLZJJSJXBLVBU-UHFFFAOYSA-N 396.512 4.863 0 40 GJAB COc1ccccc1-c1nnc(NC(=O)c2ccc(Oc3ccccc3)cc2)o1 4276024 BHYWWZVELPSZMM-UHFFFAOYSA-N 387.395 4.790 0 40 GJAB OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 4675186 QDSRHCQZFAIYHL-UHFFFAOYSA-N 375.487 4.974 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1ncccc1-c1nc2ccc(C)cc2[nH]1 4903288 LEMHBVBEYULFBA-MRXNPFEDSA-N 394.544 4.817 0 40 GJAB Cc1nnc(SCCOc2ccc(Br)cc2)n1-c1ccccc1 6109232 ZEIWBYNMXKEJDD-UHFFFAOYSA-N 390.306 4.509 0 40 GJAB CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 6144999 JZEGYKHLXYWXJP-KRWDZBQOSA-N 394.544 4.698 0 40 GJAB c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 6315825 RHUJLVIFCDHLLH-UHFFFAOYSA-N 387.468 4.755 0 40 GJAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1 6347844 MLZNZJHGIFMCAQ-UHFFFAOYSA-N 397.500 4.523 0 40 GJAB Clc1ccc(-c2cc(-c3nn4c(-c5cccs5)nnc4s3)n[nH]2)cc1 6668440 XBNONJCGZLHFPL-UHFFFAOYSA-N 384.877 4.625 0 40 GJAB O=C(c1ccccc1)c1ccc2nc(SCc3ccccc3)c3nncn3c2c1 6792662 ZHBSECGHUKIJJP-UHFFFAOYSA-N 396.475 4.801 0 40 GJAB Cc1ccc2nc(NC(=N)NC(=S)Nc3cccc(Cl)c3C)nc(C)c2c1 6924174 WZLZOMIKFKIWHV-UHFFFAOYSA-N 398.923 4.542 0 40 GJAB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccncc1 6962591 ZDPBHGYZEHCWJT-CRUFNBOHSA-N 382.533 4.578 0 40 GJAB COCc1c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)oc2ccccc12 7735668 FUIOUVADEMGGOS-UHFFFAOYSA-N 379.412 4.873 0 40 GJAB COc1cc(C(=O)N[C@@H](c2cccs2)C(C)C)cc(OC)c1Br 8013249 SGLWVZKAFXEHIY-MRXNPFEDSA-N 398.322 4.655 0 40 GJAB CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccccc2Cl)CC1 8319297 KNLNRGDWKNIGJY-QGZVFWFLSA-N 385.939 4.613 0 40 GJAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)Nc1ccc(F)cc1 8854046 AAQVYNMGWGGWJG-UHFFFAOYSA-N 376.453 4.895 0 40 GJAB O=C(CCSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)Nc1ccccc1 9327994 LSBQLZCXICDEKK-UHFFFAOYSA-N 393.299 4.899 0 40 GJAB CCCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 9885575 IOSADJBTNHOLGX-UHFFFAOYSA-N 393.462 4.931 0 40 GJAB Cc1sc2nc(COC(=O)c3cccc(Cl)c3Cl)nc(N)c2c1C 10390225 YLDYSCYTWLBGNF-UHFFFAOYSA-N 382.272 4.554 0 40 GJAB CC(C)Cc1ccc([C@@H](C)NC(=O)Cc2csc(-c3ccccn3)n2)cc1 12981521 WLVCMSTVAUZYKA-MRXNPFEDSA-N 379.529 4.824 0 40 GJAB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)NCc1ccco1 12984797 HCNBJEPXVOGKQF-ZHACJKMWSA-N 389.480 4.583 0 40 GJAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 16780742 MZBVIHQENTZHAL-RNCFNFMXSA-N 389.361 4.581 0 40 GJAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1c[nH]c(=S)n1-c1ccccc1 17918978 ZRQDEUJBWVRNDV-UHFFFAOYSA-N 391.418 4.526 0 40 GJAB COc1ccc(CN2CN=C(c3ccccc3)N(c3ccc(C)c(C)c3)C2)cc1 19960749 NEDWSBDADOKXIK-UHFFFAOYSA-N 385.511 4.996 0 40 GJAB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C)c(C)c4)c3)nn12 20609616 QDLPGTGDLZWURM-UHFFFAOYSA-N 391.500 4.674 0 40 GJAB COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)cc3)CCCC2)c(OC)c1 22994232 VTASLMOTSLQXIO-UHFFFAOYSA-N 387.907 4.828 0 40 GJAB Cc1c([C@@H](C)NC(=O)C2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1 24970738 NIODOQFQZOSDKR-CYBMUJFWSA-N 379.426 4.957 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(c2nc3ccccc3s2)CC1 35314173 WKVPDNJPGMLZNE-IBGZPJMESA-N 391.540 4.707 0 40 GJAB CC(C)NC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c12 36618475 YQGXRSQRUDZIES-UHFFFAOYSA-N 375.403 4.834 0 40 GJAB C[C@H]1CCCN(Cc2csc(NC(=O)CCc3ccc(Cl)cc3)n2)C1 36638661 IGBLQQDUEWOXKB-AWEZNQCLSA-N 377.941 4.600 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(COc3ccccc3)o2)cc1C 40049324 QOXXIIKKYQZCLB-QGZVFWFLSA-N 393.439 4.659 0 40 GJAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(c2ccccc2O)CC1 43389263 OVZGQYUEUHMDIO-UHFFFAOYSA-N 387.911 4.525 0 40 GJAB C[C@H]1CCN(C(=O)CN(C)Cc2nc3ccccc3s2)c2ccccc2S1 57290006 GHYBPNZPEWNNDT-HNNXBMFYSA-N 397.569 4.646 0 40 GJAB O=c1[nH]c(CSC[C@H](O)c2ccccc2)nc2scc(-c3ccccc3)c12 69390001 GMTOZHVJSKMUQJ-KRWDZBQOSA-N 394.521 4.618 0 40 GJAB CC(C)CCn1cc(C(=O)Nc2cccc3c2ccn3C)c2ccccc2c1=O 70666494 FPWOHWVPSILVEN-UHFFFAOYSA-N 387.483 4.792 0 40 GJAB biogenic Cc1cc(Br)ccc1NC(=O)c1cc(OCc2ccccc2)no1 90610024 YOFRCVKUGJYTMD-UHFFFAOYSA-N 387.233 4.577 0 40 GJAB O=C(Nc1ccccc1)NC1CCN(Cc2cnc(C3CCCC3)s2)CC1 92480341 LSYOYTYGRBZYDR-UHFFFAOYSA-N 384.549 4.587 0 40 GJAB C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cncc(Br)c1Cl 95452777 ROAQSZMYGYTTCL-YPMHNXCESA-N 394.700 4.907 0 40 GJAB COc1cc2cc(C(=O)Nc3nc(-c4cccs4)cs3)[nH]c2cc1OC 96118570 RZQGAVBTQUMQOJ-UHFFFAOYSA-N 385.470 4.622 0 40 GJAB C[C@@H]1[C@@H](NC(=O)CCCC(=O)Nc2cccc(C(F)(F)F)c2)CCC[C@H]1C 103142728 AEYUOUOTMARILI-KEYYUXOJSA-N 384.442 4.755 0 40 GJAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 223345909 GSJKWNYOVIEXDQ-QHCPKHFHSA-N 380.532 4.719 0 40 GJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 223851107 FHLNZIBDLKSZHU-ZDUSSCGKSA-N 387.892 4.881 0 40 GJAB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)n2)c1 225187108 YCOSBXFNXIQGIA-QGZVFWFLSA-N 393.487 4.561 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)n1 225285747 DJEYDHVCLVUCSG-UHFFFAOYSA-N 384.277 4.563 0 40 GJAB O=C(Nc1ccc(OCCCN2CCCCCC2)cc1)C(Cl)(Cl)Cl 225590597 QLEZISHDPUVUQM-UHFFFAOYSA-N 393.742 4.640 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cncc(-c2cccs2)c1 225664557 GIFOOVIJBQBIQP-UHFFFAOYSA-N 386.904 4.937 0 40 GJAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cn1 225863337 HGGVAGPYSRMRIL-UHFFFAOYSA-N 388.895 4.601 0 40 GJAB CCN(C(=O)c1ccc(-c2ccc(Br)cc2N)o1)c1ccccc1 226303820 XILKRZJXENIHCP-UHFFFAOYSA-N 385.261 4.958 0 40 GJAB COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc(C=O)o3)n2)cc1 408558305 SWIZZGRDDXTABS-UHFFFAOYSA-N 380.347 4.728 0 40 GJAB CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O 408718221 CCSHCKFAWXVOPX-RVDMUPIBSA-N 397.338 4.565 0 40 GJAB O=C(O)[C@@H](c1cccc(Cl)c1)N1CCC(c2nc3c(s2)CCCC3)CC1 566360882 BLTFJWXYYXWVKU-GOSISDBHSA-N 390.936 4.681 0 40 GJAB O=S1(=O)C=C[C@H](N(Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 575421309 OJOUMUZHPSGRAJ-QHCPKHFHSA-N 389.520 4.589 0 40 GJAB O=C(Nc1ccc2[nH]ccc2c1)[C@H]([C@@H]1CC=CCC1)N1C(=O)C[C@H]1c1ccccc1 575443600 VYDFSAOBHSIAFI-OUOWLKGYSA-N 399.494 4.805 0 40 GJAB COc1ccc(CN(C(=O)C[C@]23CCCC[C@@H]2C3(F)F)c2ccncc2)cc1 622811520 ZFUMVDBVSMLSOO-PZJWPPBQSA-N 386.442 4.839 0 40 GJAB Cc1cccc(CC2CN(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)C2)c1 674555228 DSGYFMXFRRSPFC-UHFFFAOYSA-N 399.494 4.954 0 40 GJAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H](CCO)c1ccc(Cl)cc1 1628889374 MEEHIGUTQNSHLX-MSOLQXFVSA-N 390.911 4.678 0 40 GJAB CCOc1ccccc1NC(=O)c1cc(Br)ccc1Br 642749 TXHDLPQQLJTGJI-UHFFFAOYSA-N 399.082 4.863 0 40 GJAB CC[C@H](Sc1nncn1C)C(=O)N1c2ccccc2Sc2ccccc21 1024546 XXBARXMDOUMCFO-HNNXBMFYSA-N 382.514 4.515 0 40 GJAB CC(C)OC(=O)N[C@]1(C(Cl)(Cl)Cl)Oc2ccc(C(C)(C)C)cc2O1 1050509 IUSSKQVJQYBPNP-MRXNPFEDSA-N 396.698 4.914 0 40 GJAB O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccccc1Cl 1250837 NBAYPVXMFRJKJZ-QHCPKHFHSA-N 387.866 4.980 0 40 GJAB CCOc1cccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc12 1515979 LYVSDWPFUYDMHD-UHFFFAOYSA-N 378.211 4.751 0 40 GJAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(-c3cccc(Cl)c3)nnc21 2418103 DIPHDBIETYHUFH-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB Cc1ccccc1-c1nc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn2n1 2426193 AAUUXPFLMCJQIC-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB CCOc1ccccc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 2619341 NXISOMATSHFCMO-UHFFFAOYSA-N 389.477 4.621 0 40 GJAB COc1ccc(NCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1Cl 3208838 USBHHIWNFBWBMC-PXNMLYILSA-N 392.839 4.594 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H](C)Cc3cccs3)cc12 3231033 NZAKECPFVXZXJS-LBPRGKRZSA-N 399.516 4.957 0 40 GJAB O=C(CCC(=O)c1cccs1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 3240817 IHOATZKQARYSSO-JOCHJYFZSA-N 378.449 4.878 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)NC3CCCCCCC3)s2)c1 3293584 VFUWLKOJGMAQPT-UHFFFAOYSA-N 390.578 4.911 0 40 GJAB CCOc1ccccc1C(=O)N1CCN=C1SCc1c(F)cccc1Cl 4120149 FQXFRLLUCXAQFI-UHFFFAOYSA-N 392.883 4.623 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120484 GZSBQUAYWHJBFD-UHFFFAOYSA-N 396.409 4.519 0 40 GJAB O=C(Cc1ccccc1)Nc1nnc(SCc2ccccc2Cl)s1 4328537 HECABLLSNIVQNO-UHFFFAOYSA-N 375.906 4.665 0 40 GJAB CCn1c(-c2ccccc2)c(C(=O)CSc2nnc(N)s2)c2ccccc21 4507755 AFFVVVUVQHGWHW-UHFFFAOYSA-N 394.525 4.737 0 40 GJAB O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(F)c1 4570858 PRXATOGXVWABOF-UHFFFAOYSA-N 394.393 4.941 0 40 GJAB CCCCCCc1cc2cc(C(=O)NCc3ccccc3)c(=O)oc2cc1O 4675170 SSGNICCZCPAPTB-UHFFFAOYSA-N 379.456 4.551 0 40 GJAB CCCc1cc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)no1 4881249 WSQCBQSNUGITPQ-UHFFFAOYSA-N 384.457 4.785 0 40 GJAB CCCCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)CCC)c(C)s1 4892794 QWMPGYZPXDLWGS-UHFFFAOYSA-N 385.533 4.936 0 40 GJAB O=C(CCC(=O)c1cccs1)OCC(=O)c1ccc(-c2ccccc2)cc1 5078773 XJACELAPKIJMFI-UHFFFAOYSA-N 378.449 4.804 0 40 GJAB CCSc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 5240733 JVOJZGFIAKBFPS-UHFFFAOYSA-N 398.509 4.946 0 40 GJAB O=C(CSc1ccc(-c2ccco2)nn1)Nc1cccc(Cl)c1Cl 5442291 SLICVOWVBPCASJ-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2c(C)cccc2C)c2ccsc2)cc1 5451949 PCRHHFTVOMUEIN-QHCPKHFHSA-N 390.508 4.944 0 40 GJAB CCCCn1nc(NC(=O)c2cccc(C)c2)c2cc3cc(OC)ccc3nc21 5575739 YOFCUFXRWJABLP-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB CC(=O)c1sc(NC(=O)[C@@H](C)Oc2cccc(C)c2)nc1-c1ccccc1 5607470 HDARXGRBWSKTBQ-OAHLLOKOSA-N 380.469 4.727 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 5703886 WMWDMQSQQWYDQS-AWEZNQCLSA-N 385.847 4.632 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)CCC2 6236158 DKPXLSNNPVSDBI-HSZRJFAPSA-N 384.479 4.675 0 40 GJAB CCN(C(=O)c1cc(OC)cc(OC)c1)c1nc(-c2ccc(C)cc2)cs1 6826538 NVTZNCSNQPWOIO-UHFFFAOYSA-N 382.485 4.802 0 40 GJAB COc1cc(C(=O)NCCCOC2CCCCC2)ccc1OCc1ccccc1 6988921 FFYCQALBOPCKKO-UHFFFAOYSA-N 397.515 4.743 0 40 GJAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccccc4O)cc3)c2O1 7454137 ADQLNERLCJWWGV-UHFFFAOYSA-N 389.451 4.937 0 40 GJAB COC(=O)c1ccc(COC(=O)/C(=C/c2cccs2)c2cccs2)cc1 7705395 FMYHHEVKTGEBOR-SFQUDFHCSA-N 384.478 4.880 0 40 GJAB CCc1ccc(-c2nn(-c3ccccc3C)cc2CNC2CCN(C)CC2)cc1 8403076 JJPHYCKZYAGZML-UHFFFAOYSA-N 388.559 4.594 0 40 GJAB CC(C)Oc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)cc1 8570342 URLAZSUIZBFGSQ-UHFFFAOYSA-N 393.487 4.965 0 40 GJAB O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8868753 SGWVBFCQRKFSCH-IBGZPJMESA-N 394.298 4.580 0 40 GJAB O=C(c1ccccc1)C1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 9112677 IWMFDPGHTVHDJI-UHFFFAOYSA-N 377.513 4.669 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9447516 IMXOJRPZZADHNY-UHFFFAOYSA-N 393.468 4.807 0 40 GJAB CCCn1c(C)cc(C(=O)COC(=O)/C=C/c2ccc3ccccc3n2)c1C 9713641 QBTMPQXGVFMUDR-VAWYXSNFSA-N 376.456 4.502 0 40 GJAB CC(C)c1csc(NC(=O)CCC(=O)c2ccc(Br)cc2)n1 10637317 ALDJNVMSANIDNZ-UHFFFAOYSA-N 381.295 4.631 0 40 GJAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1OC 12558758 RYZNZEKFIFHLAV-JPYJTQIMSA-N 390.439 4.848 0 40 GJAB N=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S1 13426741 GWUGATLRFDRRAY-CHHVJCJISA-N 379.268 4.711 0 40 GJAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc3ccccc23)ccc1Cl 13709372 UCMCKVGZFAIAQZ-ZDUSSCGKSA-N 383.831 4.686 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 13709375 ZJRSFNCEZJPBIQ-ZDUSSCGKSA-N 383.831 4.686 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2ccc(OC(F)F)c(OC)c2)c(OC)c1 15367164 BBTFJYCVMITQNY-QGZVFWFLSA-N 393.430 4.651 0 40 GJAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)c1ccc(F)cc1 15419270 RNQPJFSLXWDEKZ-ZDUSSCGKSA-N 379.273 4.528 0 40 GJAB O=C(NC1CCCCCC1)C1CCN(C(=O)c2cccc3ccccc23)CC1 16884357 IWDNFIASZGCQHJ-UHFFFAOYSA-N 378.516 4.531 0 40 GJAB O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NCCC1=CCCCC1 16977034 ZIULUNCORFTMKN-UHFFFAOYSA-N 398.532 4.726 0 40 GJAB COc1cc(NC(=O)Cc2csc(-c3cccs3)n2)c(OC)cc1Cl 17366742 UHTBUSSAHBWZQI-UHFFFAOYSA-N 394.905 4.723 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccccc1Cl 20493588 YNMDYAASMCEKAM-IBGZPJMESA-N 377.937 4.855 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(C[C@H](C)c1ccccc1)CO2 20502147 GIOFOOIUXPGYSL-HNNXBMFYSA-N 375.468 4.546 0 40 GJAB CSc1ccccc1NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 21248103 SDFXLCCUAUVMQG-UHFFFAOYSA-N 382.485 4.774 0 40 GJAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5cccc(C)c5C)c4ncn3n2)cc1 21801724 YKCLSWVQWATNKP-UHFFFAOYSA-N 397.482 4.977 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(C(=O)OC)ccc1Cl 22529106 UKYYTGMUAHRXJW-KRWDZBQOSA-N 375.852 4.540 0 40 GJAB Cc1cccc(C(=O)N(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)c1 23732056 WHZJKHNPNVUFSK-UHFFFAOYSA-N 381.907 4.782 0 40 GJAB CCn1c(SCc2cc(=O)n3c(n2)sc2ccccc23)nc2ccccc21 24716302 NHSRJSZWOIVMEK-UHFFFAOYSA-N 392.509 4.571 0 40 GJAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(Br)ccc1Cl 25047765 PWYZMUFISROIEY-CMPLNLGQSA-N 384.623 4.953 0 40 GJAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1nc(C)c(C)s1 25458650 CYOZANYJIVWCTC-UHFFFAOYSA-N 376.532 4.561 0 40 GJAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3cccs3)c3ccccc23)cc1 28535346 DFHLYKFPEQQXPR-UHFFFAOYSA-N 375.453 4.534 0 40 GJAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1SC[C@@H]1CCCO1 28718066 WSZLWRIUCKJUHY-HNNXBMFYSA-N 397.525 4.729 0 40 GJAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2)ccc1OC(C)C 31820222 KJKXXOMFGYDJBH-QGZVFWFLSA-N 377.444 4.792 0 40 GJAB C[C@@H](Oc1ccccc1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 36697780 FZJDNGPPENGUGH-GCJKJVERSA-N 384.479 4.884 0 40 GJAB COc1ccc(CN(CCCn2ccnc2)Cc2[nH]c3ccccc3c2C)cc1 36740173 FWIPGARWVSKHBL-UHFFFAOYSA-N 388.515 4.774 0 40 GJAB Cc1cc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c(C)s1 40080936 NFCNHIQMJYBXNL-HUUCEWRRSA-N 386.561 4.658 0 40 GJAB COc1ccc(NC(=O)c2cccc3c(C)c(C)[nH]c23)cc1N1CCCCC1=O 40094577 WUMTUDBWQWPAKD-UHFFFAOYSA-N 391.471 4.563 0 40 GJAB Cc1cccc(C)c1OC1CCN(C(=O)NCc2cc3ccccc3[nH]2)CC1 60580711 JUUZMFQFECYGKZ-UHFFFAOYSA-N 377.488 4.538 0 40 GJAB Ic1ccccc1CNCc1csc2ccccc12 61047751 AQUDMSRAMRFTIP-UHFFFAOYSA-N 379.266 4.796 0 40 GJAB C[C@@H]1C[C@@H](C)CN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1 65491834 SVXFYLQIFKGLAS-NXEZZACHSA-N 385.352 4.752 0 40 GJAB Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 72349006 VWPZUZFHTYLNDF-HSZRJFAPSA-N 384.523 4.930 0 40 GJAB O=C(c1ccccn1)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72349240 ZJZIFSDBYKJRMS-UHFFFAOYSA-N 391.902 4.741 0 40 GJAB Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccc(Cl)cc3)n2)nc1 72377602 JUUVDTADTRZESW-IBGZPJMESA-N 379.895 4.914 0 40 GJAB O=C(Nc1cc(Cl)c(Cl)cn1)c1cccc(NC(=O)c2cccs2)c1 95962663 JWIYTPBWEKYABO-UHFFFAOYSA-N 392.267 4.955 0 40 GJAB O=C(COc1ccc(Cl)cc1)N(Cc1cnc2ccccn12)c1ccccc1 96102992 VQUKJJZLHOCRIL-UHFFFAOYSA-N 391.858 4.600 0 40 GJAB Cc1csc(/C(=C/c2ccc(C(=O)O)cc2)c2nc3ccccc3n2C)n1 96891581 LRPWPNONDFTWTG-LFIBNONCSA-N 375.453 4.625 0 40 GJAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)C1 108875486 MAWWDUVYOJUCIG-MJBXVCDLSA-N 393.603 4.648 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)COc2cccc3ccccc23)cc1 218913360 KKFVLIBOKBMEOB-UHFFFAOYSA-N 377.484 4.755 0 40 GJAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCC 223056641 TXOMIAKYPHTSHY-HSZRJFAPSA-N 394.559 4.733 0 40 GJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)s1 223883143 XQKNQCKAVSEXSS-VQTJNVASSA-N 394.569 4.695 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 224598644 KDSJZYOPDAXMHD-WOJBJXKFSA-N 392.528 4.521 0 40 GJAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 225191911 NIYPDTOKYLOEPL-UHFFFAOYSA-N 398.550 4.996 0 40 GJAB CC(C)[C@H](C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 225222611 ZYNJFFAVHCAEFF-FQEVSTJZSA-N 378.560 4.916 0 40 GJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cccc(N2CCCC2=O)c1 225661430 ICRRDLQXBBWKTK-KRWDZBQOSA-N 395.572 4.856 0 40 GJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225731183 BFZAJVMNDAMSDN-WMZHIEFXSA-N 390.568 4.864 0 40 GJAB CCC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)NC(C)C)CC1 257208186 BLBURHVWXFWQRU-UHFFFAOYSA-N 398.572 4.501 0 40 GJAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CC3)CC2)on1 257230473 GCNAYSRTAMOEGB-WKILWMFISA-N 396.535 4.538 0 40 GJAB COc1cc(Cl)cc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)c1OC 257318157 VMSPKIXMNWJSDN-CVLFTIFLSA-N 395.927 4.518 0 40 GJAB CCc1ccccc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC 408620529 JVNBWDXIKSTFJL-UHFFFAOYSA-N 383.300 4.691 0 40 GJAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(Br)o2)S1 408799923 JJGLHUMWRBCOLA-UHFFFAOYSA-N 398.689 4.767 0 40 GJAB S=C(c1ccc(OCCOc2ccccc2Cl)cc1)N1CCCCC1 409195904 SCKKVPNOOBUMNI-UHFFFAOYSA-N 375.921 4.959 0 40 GJAB O=C(O)Cc1c(-c2ccc(Br)cc2)oc2c1c(=O)oc1ccccc12 524732080 WFSIIDOGPMKZGT-UHFFFAOYSA-N 399.196 4.596 0 40 GJAB biogenic O=C(NCC[C@H](CCO)c1ccsc1)C1c2ccccc2Oc2ccccc21 575605640 BTBPFAWNADYQRI-MRXNPFEDSA-N 393.508 4.658 0 40 GJAB COc1ccc(-c2ccc(C(=O)O)c(Cc3ccccc3)n2)c(OC(C)C)c1 585265614 OZXJFJACVGJOCP-UHFFFAOYSA-N 377.440 4.833 0 40 GJAB Cc1nc(NC(=O)N2CCCC(F)(F)CC2)sc1Cc1ccc(F)cc1 626565300 NFYMLIMMFRUJEU-UHFFFAOYSA-N 383.439 4.835 0 40 GJAB COc1ccc(NC(=O)c2ccc(OC(=S)N(C)c3ccccc3)cc2)cc1 725477 PQACRNNXMMYIQK-UHFFFAOYSA-N 392.480 4.748 0 40 GJAB Cc1ccc(-c2cc3nccc([C@H]4CCCN(C(=O)OC(C)(C)C)C4)n3n2)cc1 1238254 CPNORLQPCAVFML-SFHVURJKSA-N 392.503 4.819 0 40 GJAB O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1F 1382140 QKNOXTYLLUBWHA-UHFFFAOYSA-N 388.229 4.886 0 40 GJAB O[C@@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 1568070 YZLLVZLRDRSNKO-HZMBPMFUSA-N 392.343 4.838 0 40 GJAB CCOC(=O)C(=O)N1c2cc(C)ccc2-c2c(ssc2=S)C1(C)C 2282939 CUGDANNSOZWDHW-UHFFFAOYSA-N 379.528 4.659 0 40 GJAB O=C(COc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(F)cc1 2622584 QQVGYFUFUOLTSI-UHFFFAOYSA-N 379.416 4.515 0 40 GJAB Cc1cc2nnc(Sc3ncnc4sc5c(c34)CCC5)n2c2ccccc12 3342028 QHWXXASUDWPZGS-UHFFFAOYSA-N 389.509 4.836 0 40 GJAB CN(C)c1ccc([C@H](CNC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1 3398520 JXQXXCHEVVHQBR-QFIPXVFZSA-N 383.495 4.796 0 40 GJAB aggregator Cc1sc2ncnc(SCC(=O)N[C@@H]3CCCc4ccccc43)c2c1C 3604190 DLHFLUVPACBSRY-MRXNPFEDSA-N 383.542 4.594 0 40 GJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1coc2ccccc2c1=O 4194617 XKCPEYNLZWTNFG-UHFFFAOYSA-N 388.857 4.884 0 40 GJAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nc2ccccc21 4265100 PBFWCUKNRXZNQX-UHFFFAOYSA-N 393.434 4.840 0 40 GJAB COC(=O)c1cccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)c1 4970997 ZOFDKGWLWWDQPE-UHFFFAOYSA-N 390.464 4.790 0 40 GJAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc2ccccc12 5024645 JCJQBAUPMROEPX-UHFFFAOYSA-N 389.524 4.957 0 40 GJAB CC[C@H](C)NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 5040001 JUUOJCRRITWVOP-NSHDSACASA-N 375.494 4.504 0 40 GJAB CCSc1nnc(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)s1 5450362 XOFBBYCZNPZFQQ-UHFFFAOYSA-N 393.559 4.685 0 40 GJAB CC(=O)Nc1ccc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 6640471 OQNZQTVNLJDBEY-JOCHJYFZSA-N 397.478 4.688 0 40 GJAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(C)C)cc1 6752960 IPZCMXIEDAKPSC-JOCHJYFZSA-N 375.472 4.861 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H](C)c3ccco3)cc12 7244069 SDSVFIRVRDAUDZ-CYBMUJFWSA-N 383.448 4.678 0 40 GJAB O=C(CSc1ccccn1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 7699348 DDIGCEHQQWKVPW-CQSZACIVSA-N 385.539 4.675 0 40 GJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)c1 8041060 YVWJUQYVZSCVKW-INIZCTEOSA-N 377.937 4.774 0 40 GJAB COc1ccccc1/C=C/c1nn2c(CSc3ccccc3)nnc2s1 8393268 VKCKZZOLWBQCIY-VAWYXSNFSA-N 380.498 4.657 0 40 GJAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C2CCCCC2)cc1 9463132 ZUHKEPFYRSRKME-UHFFFAOYSA-N 390.483 4.650 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc1 9625377 SDNBICDWUODTMX-UHFFFAOYSA-N 394.500 4.894 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 10366722 WNXHAZUXCXBCKH-OPAMFIHVSA-N 398.503 4.614 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(CN2CCCCC2)cc1 11574309 CIEDENMPHOTARM-UHFFFAOYSA-N 377.532 4.833 0 40 GJAB CC[C@H](C)NC(=O)C1(Cc2ccccc2-c2ccc(OC)cc2)CCOCC1 12231475 JRQQZXBQCJVLDZ-SFHVURJKSA-N 381.516 4.616 0 40 GJAB CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(OC)cc1)CC3=O 12296438 ZLUDFHBHGTZXNQ-GOSISDBHSA-N 378.424 4.769 0 40 GJAB biogenic CC(C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2nccnc2c1 12420894 ZCJWHLXUIRPHPV-HXUWFJFHSA-N 378.863 4.617 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(OCc2cscn2)c1 12558015 HNRBLVWHEBOTHY-UHFFFAOYSA-N 393.512 4.883 0 40 GJAB O=C1c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1C[C@@H]1CCCO1 12561363 CUNBTPZMVIMVTF-SGTLLEGYSA-N 377.271 4.739 0 40 GJAB COc1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 12578603 SQFWLZYVKSQEAQ-UHFFFAOYSA-N 391.254 4.876 0 40 GJAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 12974817 NEBGVPZHVVZJIX-ZKKXHLJNSA-N 393.455 4.907 0 40 GJAB COc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4C)cc3)C(=O)O2)cc1 13896783 MXRNMGJAKIZMCX-HAHDFKILSA-N 399.446 4.927 0 40 GJAB FC(F)(F)[C@@H]1CCCN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)C1 14185617 JUXSZLYQFNEANF-LLVKDONJSA-N 388.484 4.709 0 40 GJAB O=C(Nc1cccc(Cl)c1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 14609721 LDMVCFSCDBCKIG-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1N)c1nnc(-c2ccccc2)o1 16210600 OOMJYXJZFWEJFK-VIFPVBQESA-N 378.215 4.544 0 40 GJAB CC(C)(C)C(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccncc2)CC1 19084702 NXPGRQJUKDLBKQ-UHFFFAOYSA-N 380.536 4.588 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(Cc1ccncc1C)CC2 19239533 JGHNATADMHVGPY-XMMPIXPASA-N 392.474 4.694 0 40 GJAB Cc1c(NC(=O)c2cccc3c(Br)cccc23)cccc1C(=O)O 20139045 UCQBDBWJDIUQLS-UHFFFAOYSA-N 384.229 4.861 0 40 GJAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)sc2c1 21805992 GCXOUBFJZWUKFJ-JTQLQIEISA-N 386.860 4.835 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccccc3Cl)CCCC2)c1 24763583 OYBHZUYKVYZNES-UHFFFAOYSA-N 391.920 4.682 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(OC(F)(F)F)c1 24833021 BSEHHFHMTZLUAF-UHFFFAOYSA-N 383.414 4.626 0 40 GJAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NOCc4ccccc4)cc3)o2)c1 25039597 LLDINCPUCREMDV-UHFFFAOYSA-N 385.423 4.574 0 40 GJAB CSc1cccc(NC(=O)Cc2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)c1 35592882 ACKWXJPXDDZNGD-ZDUSSCGKSA-N 380.469 4.568 0 40 GJAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2)cc1 36247408 NVWVULKOEHGALV-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB O=C(Cc1ccc(F)cc1)Nc1ccccc1NC(=O)c1cccc(Cl)c1 38488592 ASZLMLTWDXIWGC-UHFFFAOYSA-N 382.822 4.913 0 40 GJAB O=C1c2ccccc2N[C@@H](c2csc(-c3ccccn3)n2)N1c1ccccc1 48375261 LDOXUDCXYWKCBS-HXUWFJFHSA-N 384.464 4.976 0 40 GJAB Cc1cc(C)c(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 57315838 JHSIVCJFCUDMQB-PKNBQFBNSA-N 392.480 4.795 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)n[nH]2)c(OC)c1 57412989 OSGPWUBEARJYIS-UHFFFAOYSA-N 392.242 4.653 0 40 GJAB COc1ccccc1Oc1ccc(N[C@@H](C)C(=O)N2CCc3ccccc32)cc1 57717718 BSMCXNGHUPPCHE-KRWDZBQOSA-N 388.467 4.877 0 40 GJAB Cc1ncc(CN(C)C(=O)Nc2ccccc2N2CCc3ccccc32)s1 58282147 YWDKIFIQRAGVHJ-UHFFFAOYSA-N 378.501 4.810 0 40 GJAB Cc1sc2ncnc(SCC(=O)NC3(c4ccccc4)CCC3)c2c1C 70017677 FXPBVZPQSZMJCQ-UHFFFAOYSA-N 383.542 4.596 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 72349599 NUEMQDUJTLRNOF-NRFANRHFSA-N 388.486 4.760 0 40 GJAB O=c1[nH]c(Cc2ccc(OC(F)(F)F)cc2)nc2scc(-c3ccco3)c12 84432903 JYFAAULCABZUJI-UHFFFAOYSA-N 392.358 4.734 0 40 GJAB CN(C)CCCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 95452176 RVPKXTJAXWCHIT-DLBZAZTESA-N 383.363 4.677 0 40 GJAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cc(Cl)c(Cl)cc1Cl 102179895 SVAKAFMDBJFZIM-DCAQKATOSA-N 390.694 4.955 0 40 GJAB CC(C)COC(=O)NCCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 108011401 ZZCZHEYAHSSTCI-UHFFFAOYSA-N 398.547 4.865 0 40 GJAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 118914988 GSSIBIORSPCRIO-GDLCRWSOSA-N 376.537 4.704 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)COc1ccc(OC)cc1 216265424 QEFDTDJZPYIPHF-HTAPYJJXSA-N 393.483 4.590 0 40 GJAB CC(C)CSc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 224147296 KCNYWQRENNQAQP-UHFFFAOYSA-N 392.333 4.611 0 40 GJAB COc1ccc(C(=O)NCCc2ccccc2)cc1CSc1ccccc1 224322328 BGWRXALVRUUUAH-UHFFFAOYSA-N 377.509 4.960 0 40 GJAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1 224325718 XMPNODGKGWKKEY-LEWJYISDSA-N 376.529 4.766 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)ccc21 225097634 FQXBCFNDBCBMLG-AWEZNQCLSA-N 398.528 4.786 0 40 GJAB Cc1noc(C)c1/C=C1/SCCN1C(=O)C(c1ccccc1)c1ccccc1 225247246 LEITWPQAMNBUCP-RCCKNPSSSA-N 390.508 4.997 0 40 GJAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2ccsc2)cc1 225618473 GNVCQYKOWVDORS-IBGZPJMESA-N 391.414 4.595 0 40 GJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225660729 JAXOYXNDKUTAJS-KRWDZBQOSA-N 395.572 4.856 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2OC(C)C)cc1C(C)C 225675185 JXIMVAKSOITASU-UHFFFAOYSA-N 377.506 4.715 0 40 GJAB O=C(CSc1nc2ccccc2s1)NCc1cccnc1-c1cccs1 225761140 JAQVKOYDWVFURW-UHFFFAOYSA-N 397.550 4.828 0 40 GJAB Cc1ccccc1C1(NC(=S)Nc2cccc(N3CCCC3=O)c2)CCCC1 225870384 LBLMEJYKFVNUDY-UHFFFAOYSA-N 393.556 4.878 0 40 GJAB CNc1ncccc1CN1CCCC[C@H]1c1ccc(-c2cccc(OC)c2)nc1 257265407 LYNOIYJEZKLZLU-QHCPKHFHSA-N 388.515 4.921 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 408574770 LAACJNJMFZNEBL-HEHNFIMWSA-N 388.467 4.941 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2ccc(CNc3cccc(C)c3C)cc2)cc1 409112413 GDONRFLECLSAAI-UHFFFAOYSA-N 381.497 4.992 0 40 GJAB O=C(NCc1ccncc1)[C@@]12C[C@H]3C[C@@H](C1)C[C@](c1ccc(Cl)cc1)(C3)C2 605704794 CAOTVXGYTWCKQE-BRNYJPRKSA-N 380.919 4.889 0 40 GJAB O=C(Nc1ccnc(Oc2ccccc2Br)c1)N1CC[C@H]2C[C@@H]2C1 666172270 XVXOJCLXCNQSGI-QWHCGFSZSA-N 388.265 4.510 0 40 GJAB C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=S)N21 625314 MXAMHBCJAQWPLN-BMLIUANNSA-N 399.878 4.580 0 40 GJAB CC(=O)c1cccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)c1 942219 BPSAXSBMLXNGDN-UHFFFAOYSA-N 397.525 4.504 0 40 GJAB O=S(=O)(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1 1040686 NIUVYLLLHPAENU-UHFFFAOYSA-N 386.087 4.606 0 40 GJAB COc1cccc(CC(=O)N(CC(C)C)c2nnc(-c3cccc(F)c3)s2)c1 1345507 IOLAFUDTPCMDBO-UHFFFAOYSA-N 399.491 4.585 0 40 GJAB CCCN(CCC)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1734057 RIELHOSXHURXDW-UHFFFAOYSA-N 386.492 4.591 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 2236153 ZUCDRAJHBLVOAS-UHFFFAOYSA-N 386.480 4.613 0 40 GJAB Cc1ccc(-c2nnc(NC[C@H]3COc4ccccc4O3)c3ccccc23)cc1 2625698 JVCZBYVAUZAAJF-SFHVURJKSA-N 383.451 4.857 0 40 GJAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(-c2ccccc2)s1 4174482 MBBVIJNQTFQFAG-NSHDSACASA-N 398.538 4.934 0 40 GJAB CCOc1ccc(C(=O)NCCc2sc(-c3cccc(C)c3)nc2C)cc1 4392501 SZMIYJDCFGKASE-UHFFFAOYSA-N 380.513 4.798 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(Cl)c(C(F)(F)F)c1 4694706 RKMHUHNGNXSWMW-HNNXBMFYSA-N 387.741 4.657 0 40 GJAB COc1ccc(OC)c(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1 4930846 DXIXYWLYNWENCO-UHFFFAOYSA-N 393.468 4.641 0 40 GJAB COc1ccc(CCC(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)cc1 5136980 HAGIOAPVRUEBQG-UHFFFAOYSA-N 398.503 4.558 0 40 GJAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(C)n2-c2cccc(C)c2)cc1 5360602 FQSUXSWDKFOLTR-HNNXBMFYSA-N 381.501 4.646 0 40 GJAB CCC[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 5567798 JZWLSXINEVHWEP-YNEHKIRRSA-N 388.460 4.535 0 40 GJAB biogenic,in-vitro O=C(Nc1nnc(C2CC2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 5699613 ZTXYKOFSJPDLJM-UHFFFAOYSA-N 381.301 4.705 0 40 GJAB CC[C@@H](C)c1cc2c(cc1[C@H](C)CC)OCCOCCOCCOCCO2 5714886 XHJKANYIENENGN-QZTJIDSGSA-N 380.525 4.535 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nnc2n1CCCCC2 6097443 DXOLMWJCCPGUDB-UHFFFAOYSA-N 386.565 4.982 0 40 GJAB CCN(CC)c1ccc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 6654349 QAAIGTHVCWYRFX-FQEVSTJZSA-N 396.560 4.633 0 40 GJAB Cc1cc(C)c2c(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)coc2c1 6804263 XHOKPTJJQKFJCJ-UHFFFAOYSA-N 382.891 4.594 0 40 GJAB CCCOc1cccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)c1 6943100 KSIUFPQXMHISOM-UHFFFAOYSA-N 377.488 4.669 0 40 GJAB CC(=O)Nc1ccccc1OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 7263206 PWGCKFFHXAPRGN-QHCPKHFHSA-N 393.414 4.971 0 40 GJAB CCCCNc1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)s1 7427334 LFPLOBZVEOIJFO-UHFFFAOYSA-N 381.914 4.746 0 40 GJAB C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(NC(=O)c2cccs2)c1 7830489 DYECRDKOGHVGCT-CYBMUJFWSA-N 382.510 4.821 0 40 GJAB c1cncc(-c2nc(NC[C@H](c3ccco3)N3CCCCC3)c3ccccc3n2)c1 8063504 RKQBPVPSBJXPEK-OAQYLSRUSA-N 399.498 4.924 0 40 GJAB CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1 8917236 MRQKGYDTCHGIAV-OAQYLSRUSA-N 391.467 4.927 0 40 GJAB O=C(c1ccccc1Br)N(C(=O)N1CCCCC1)c1ccccc1 9317738 XUXITNPHIBESRG-UHFFFAOYSA-N 387.277 4.702 0 40 GJAB CCCCc1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1 10187746 PNPMTBZTSFVRHT-UHFFFAOYSA-N 378.447 4.631 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 10684115 BTHHYHHKJQVWCB-HNNXBMFYSA-N 388.895 4.503 0 40 GJAB CCc1cccc(CC)c1NC(=O)CSc1cc(-c2ccccc2)ncn1 12016826 JFLGJLFSLDYJLQ-UHFFFAOYSA-N 377.513 4.999 0 40 GJAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@@H]1c1nc(-c2cccnc2)n[nH]1 12115775 SFEORRVCCVBBKD-OAQYLSRUSA-N 395.466 4.511 0 40 GJAB COc1ccccc1-n1c(SCc2c(C)noc2C)nnc1-c1cccs1 12767418 QLOMKKCWAFLIJQ-UHFFFAOYSA-N 398.513 4.902 0 40 GJAB C[C@@H](NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1 12989076 YKGKQSMPFNCEOW-GFCCVEGCSA-N 389.883 4.892 0 40 GJAB Cc1csc(C(=O)N2CCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)c1 19124559 VZXLFUIPQMXGEX-INIZCTEOSA-N 390.468 4.632 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3scnc3C)CC2)n1 19691212 IOEIVHXJEIUJAO-UHFFFAOYSA-N 395.503 4.981 0 40 GJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccccc2Cl)CC1 19841744 BPSNNLFHMIYDND-UHFFFAOYSA-N 390.914 4.965 0 40 GJAB FC(F)(F)c1cnc(N2CCc3nc(-c4ccccc4)ncc3C2)c(Cl)c1 20405568 RUWLUNMSYLYYAC-UHFFFAOYSA-N 390.796 4.774 0 40 GJAB CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 26805923 NKVDSXLUTQXNCC-UHFFFAOYSA-N 392.886 4.793 0 40 GJAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 27792488 AWTQRSKZMWHNMI-QGZVFWFLSA-N 381.907 4.854 0 40 GJAB Cc1ccc(C)c(NC(=O)CSCC(=O)Nc2cccc(Cl)c2C)c1 28183515 XUZDSPNOAJBPJQ-UHFFFAOYSA-N 376.909 4.576 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30943674 YOUPGUBFZYNQOW-GHTZIAJQSA-N 384.951 4.690 0 40 GJAB CC[S@](=O)c1ccccc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 32722392 JYSOCZIVZYNRTK-XGCWNURASA-N 377.509 4.972 0 40 GJAB COc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)cc1Cl 36617366 MFWDMGIXEMCMHV-UHFFFAOYSA-N 383.835 4.892 0 40 GJAB CCn1cc(Br)cc1C(=O)Nc1ccc(C)cc1Br 37506893 IJXIQIODGCDZED-UHFFFAOYSA-N 386.087 4.594 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 39757412 VKIIYHHBMHZHGD-UHFFFAOYSA-N 395.305 4.661 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)c3oc4c(c3C)C(=O)CCC4)cc2)cs1 40131904 JYZYRFLJRAHLJS-UHFFFAOYSA-N 394.496 4.511 0 40 GJAB Cc1ccc(C)n1-c1nc(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cs1 40132484 QVFMHXRHKSJMRC-CQSZACIVSA-N 389.471 4.591 0 40 GJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(-c2nc(C3CC3)no2)c1 40153013 RWMHGMAJDCFJTL-GFCCVEGCSA-N 383.835 4.673 0 40 GJAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(OC)c1 41078086 GFMWQKJNFGFRNY-UHFFFAOYSA-N 393.487 4.598 0 40 GJAB Cc1ccc(-c2noc(CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 41154603 KBXYYIHXVWMYBB-UHFFFAOYSA-N 380.835 4.924 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC=C(c2ccc(O)cc2)CC1 43192527 CRBLBJFFXHJERW-UHFFFAOYSA-N 378.350 4.612 0 40 GJAB CC(C)(C)[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1cccs1 48312937 BEHIIRUEJAXYJB-SFHVURJKSA-N 385.533 4.893 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)nc1)c1cccnc1Nc1cccc(F)c1 58369932 HPFGDUGFKXSCIB-UHFFFAOYSA-N 391.450 4.602 0 40 GJAB O=C(NCc1cccc(OCc2ccccn2)c1)C1(c2ccc(Cl)cc2)CC1 58954169 NZZFCAPPSJCUKY-UHFFFAOYSA-N 392.886 4.662 0 40 GJAB Cc1cc(F)c2c(c1)CCCN2C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 65567665 XCGOOTUYKZEOIM-UHFFFAOYSA-N 392.261 4.611 0 40 GJAB COc1ccc([C@@H](C)Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 67288310 BXISLVQNTMDFJH-OAHLLOKOSA-N 393.462 4.792 0 40 GJAB COc1ccc(-c2csc(CCNC(=O)c3ccc(OC(C)C)cc3)n2)cc1 72264893 JFXRHYAZXKITDC-UHFFFAOYSA-N 396.512 4.578 0 40 GJAB C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)Cc1csc(-c2ccccn2)n1 72308344 OVLSDGAQRDYFTL-AVRDEDQJSA-N 392.572 4.548 0 40 GJAB Fc1ccc([C@H](Cn2cnc3ccccc32)NCc2cccc(Cl)n2)cc1 96012809 OWVFECPJRQUIAB-IBGZPJMESA-N 380.854 4.755 0 40 GJAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](CCc3ccccc3)[C@@H]1[C@H]2C 100741081 FCPKYEAPHJRRQX-ZZNUNNEKSA-N 385.548 4.987 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 223027079 WYEGXLQATXKBJL-FQEVSTJZSA-N 389.923 4.954 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccccc2C)cc1 223627045 IWTRMESZDKPBEW-CEZZIEKDSA-N 388.467 4.545 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1C 224581267 YUFBUWVRGQGSIO-UHFFFAOYSA-N 397.496 4.692 0 40 GJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NC(C)(C)CC(C)(C)C)c1 225110132 ZRTYJHLHJWPHOZ-RGEXLXHISA-N 382.504 4.690 0 40 GJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1ccc(Cl)cc1 225312187 VSHOYNVMLRQMQT-UHFFFAOYSA-N 390.270 4.635 0 40 GJAB Cc1cc(NC(=O)CCc2ccc(Cl)c(Cl)c2)ccc1N1CCCC1=O 225336962 MMGSFZFONCEPKA-UHFFFAOYSA-N 391.298 5.000 0 40 GJAB COC(C)(C)CCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1Cl 225591651 LQOWHGPWRNETKI-UHFFFAOYSA-N 389.106 4.843 0 40 GJAB COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1C 225789604 QFJIZYPPKNVWGK-UHFFFAOYSA-N 393.814 4.785 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)s1 306136868 QFHUTEIZBMAZLZ-IBGZPJMESA-N 388.496 4.744 0 40 GJAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)c1 408698560 OBOYVCBJVODJFL-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)Cc1ccccc1 585151779 GVXUABZLIKYTEK-UHFFFAOYSA-N 395.509 4.609 0 40 GJAB Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1NC(=O)NC(C)(C)C 607104461 GVQKGLVQZGEDCF-LJQANCHMSA-N 379.504 4.722 0 40 GJAB O=C(Cc1c(F)cccc1Cl)NC[C@H](O)c1ccc(-c2ccsc2)cc1 1775966523 JJPOLINPBBCUQQ-IBGZPJMESA-N 389.879 4.600 0 40 GJAB COc1ccc(Br)c(C(=O)NCc2cc(-c3ccco3)cs2)c1 1775968646 IYPTZMSSFZKVBP-UHFFFAOYSA-N 392.274 4.709 0 40 GJAB Fc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1F 2055771665 PIXYPVBEQXLCSH-YADHBBJMSA-N 379.491 4.543 0 40 GJAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4)sc3n2)c1 661321 OOPGWLFTYNBLCJ-UHFFFAOYSA-N 393.443 4.946 0 40 GJAB CCc1sc(NC(=O)Cc2ccc(OC)c(OC)c2)nc1-c1ccccc1 795403 BWICPEMANLMONK-UHFFFAOYSA-N 382.485 4.571 0 40 GJAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 1092980 AFIKJLLECSYZEE-FGEXJBCWSA-N 379.459 4.647 0 40 GJAB biogenic O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1ccc(Cl)cc1 1364567 LEIAEHHLELJCKN-UHFFFAOYSA-N 398.919 4.588 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)c1ccc(Br)cc1 1445073 VAUDYQDLKFEOCJ-XCVCLJGOSA-N 379.637 4.542 0 40 GJAB biogenic COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2C)sc(C)c1C 1914039 CFYVJEVCZJFKCA-UHFFFAOYSA-N 375.490 4.566 0 40 GJAB C[C@H](OC(=O)Cc1c(Cl)cccc1Cl)C(=O)Nc1cccc(Cl)c1 3449889 UFLIGCROJFGPQS-JTQLQIEISA-N 386.662 4.760 0 40 GJAB O=C(COc1ccccc1)Oc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 4070953 NBUSJUQXCAKETN-UHFFFAOYSA-N 381.815 4.577 0 40 GJAB COc1ccc(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)cc1 4162433 PCCTZMSPKXQGRF-UHFFFAOYSA-N 386.407 4.946 0 40 GJAB COc1cccc(C(=O)Nc2nnc(SCc3cc(C)ccc3C)s2)c1 4328481 VKNGJZHMSMBASX-UHFFFAOYSA-N 385.514 4.708 0 40 GJAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cc(Cl)sc1Cl 4348523 HIEUFDPPUYGOMQ-UHFFFAOYSA-N 387.269 4.688 0 40 GJAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)ccc1O 4450194 VIXBBPDAKJLKSS-OAQYLSRUSA-N 378.403 4.701 0 40 GJAB CCCOc1ccc([C@@](O)(CCN2CCCCC2)c2ccccc2OC)cc1 4554939 RPABCRYLRDXZJU-DEOSSOPVSA-N 383.532 4.596 0 40 GJAB O=C(O)CCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 4645034 CPZAAQIZPWFUCI-JDHYRIQISA-N 388.467 4.674 0 40 GJAB c1coc(-c2nnc(CSc3nnc(-c4ccco4)n3C3CCCCC3)o2)c1 5866507 CTSDNOCXAUACLK-UHFFFAOYSA-N 397.460 4.979 0 40 GJAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCc1cccc(C(F)(F)F)c1 5944159 BZLAYBNIFQVRCU-UHFFFAOYSA-N 396.718 4.632 0 40 GJAB Cc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(C3CC3)c2C)c(C)c1 6106683 YFXOUXHILJWGQF-UHFFFAOYSA-N 380.517 4.612 0 40 GJAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(Cl)cc1 6219294 RRUPAPKNLGSWQG-UHFFFAOYSA-N 379.869 4.875 0 40 GJAB O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2ccc3c(c2)OCO3)cs1 6993837 ICODSCRDQDWWMI-UHFFFAOYSA-N 390.823 4.513 0 40 GJAB Clc1ccc(-c2noc(CSc3nnc(Cc4ccccc4)o3)n2)cc1 7427711 UTNCLAUUXPFFPN-UHFFFAOYSA-N 384.848 4.656 0 40 GJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 8499748 ZLKYANCQASJNEG-HNNXBMFYSA-N 395.927 4.913 0 40 GJAB COc1cc(CO)ccc1Oc1ncnc2cc(-c3ccc(F)cc3)sc12 8733854 MUHREXUEQRIPGO-UHFFFAOYSA-N 382.416 4.791 0 40 GJAB Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 9582298 WZJZULDPAUSXPD-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 10817775 RZUNZHJTROMRPZ-UHFFFAOYSA-N 395.315 4.648 0 40 GJAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)c1ccccc1 12105377 FKUKXSXRZRZEDN-UHFFFAOYSA-N 385.492 4.833 0 40 GJAB CCc1ccccc1NC(=O)c1c(N)c(C(=O)c2cccs2)n2ccccc12 12342111 SGVYEZQURVOQKP-UHFFFAOYSA-N 389.480 4.629 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(C(C)=O)cc3)no2)cc1OCC 12412241 HCRYGYAFSCBEOI-UHFFFAOYSA-N 394.427 4.594 0 40 GJAB COc1ccccc1-n1c(S[C@H]2CCCCCC2=O)nnc1-c1cccs1 12522454 JLRIKBYNLXEYBO-KRWDZBQOSA-N 399.541 4.998 0 40 GJAB C[C@@H](Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)NCc1ccco1 12545194 HTVQDEHYWTXVQI-CQSZACIVSA-N 377.469 4.673 0 40 GJAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 12877938 UOGVUQZHAFLJIR-JRQCAYHLSA-N 391.511 4.603 0 40 GJAB COc1ccc(-c2nc(CSCC(=O)Nc3ccc(Cl)cc3)co2)cc1 12952571 PRQGLIFQPXZRDN-UHFFFAOYSA-N 388.876 4.876 0 40 GJAB CCc1ccc(NC(=O)c2c(C)nc(Nc3nc(C)c(C)s3)nc2C)cc1 13610751 ZJAIAEQXMGSBPH-UHFFFAOYSA-N 381.505 4.725 0 40 GJAB C[C@H](NC(=O)CSc1nnc(C2CC2)o1)c1ccc(-c2ccccc2)cc1 14141916 NANDZPFCXHXBHM-AWEZNQCLSA-N 379.485 4.584 0 40 GJAB CCC(=O)c1ccc(OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1 15181338 KGOCZKNMYCZJRC-UHFFFAOYSA-N 385.769 4.969 0 40 GJAB Cn1c(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 16694807 SYZUWDRUQOGBAG-JOCHJYFZSA-N 387.508 4.723 0 40 GJAB CCOc1cc(CN[C@H](Cc2ccsc2)c2nc(C)cs2)ccc1OC 19532155 WRBKCJODTSGRFE-QGZVFWFLSA-N 388.558 4.994 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 20767756 VHWYXFWNFULTOO-UHFFFAOYSA-N 395.871 4.637 0 40 GJAB ClC1(Cl)C[C@H]1CSc1nc(-c2ccccc2Br)n[nH]1 21108325 MTESMMNUGTWUDJ-ZETCQYMHSA-N 379.110 4.520 0 40 GJAB CCn1cc(C(=O)Nc2ccc(Cl)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22236757 QHWGFWMGWKOJCY-UHFFFAOYSA-N 394.780 4.946 0 40 GJAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1cccc2ncccc12 22242238 PLSASSYCELSKQH-UHFFFAOYSA-N 383.854 4.630 0 40 GJAB Cc1ccc2c(c1)CCCN2C(=O)Cc1csc(COc2ccc(F)cc2)n1 22377099 RQWCDLXJVWKFEC-UHFFFAOYSA-N 396.487 4.692 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)Cn1ncn(-c2ccccc2)c1=S 24061414 KCDBQVYDDYRPEM-CQSZACIVSA-N 381.530 4.663 0 40 GJAB CCC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2ccc3ccccc3c2)cc1 28919632 DRHLEGUHSPKJRN-VGOFRKELSA-N 377.484 4.523 0 40 GJAB O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCC(c2ccccc2)CC1 32367512 SSNLYZTUDBXJAN-UHFFFAOYSA-N 381.476 4.694 0 40 GJAB Fc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1 32604326 MACGTAVINFBLBS-GOSISDBHSA-N 387.455 4.695 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C 32609720 GUVYHGFPESNFQO-UHFFFAOYSA-N 387.842 4.602 0 40 GJAB COc1cc([C@H](C)NC(=O)Nc2ccc(C(C)=O)cc2)ccc1OCC(C)C 32831199 RAOUGTPZXFEQGD-HNNXBMFYSA-N 384.476 4.815 0 40 GJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)CCc2cccc(Cl)c2Cl)c1 32924539 USRWMQQSJKSNJD-GFCCVEGCSA-N 379.287 4.762 0 40 GJAB Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)c3ccco3)[nH]c12 33063888 RXMHMHKQYKNWSU-UHFFFAOYSA-N 390.464 4.974 0 40 GJAB Cc1ccc2c(c1)ncn2C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 35315871 FCWIXJCHKUAAFL-UHFFFAOYSA-N 377.532 4.725 0 40 GJAB Cc1cc(C)c(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c(C)c1 36635534 MFIMEMDLRGMMRG-MRXNPFEDSA-N 377.271 4.663 0 40 GJAB O=C(O)C(Cc1cccc(Br)c1)Cc1cccc(Br)c1 37528638 HKNKYSZCKOTRMC-UHFFFAOYSA-N 398.094 4.698 0 40 GJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N2CCC(C)CC2)cc1 39843954 ZAUYFSHFXLSZFB-UHFFFAOYSA-N 396.512 4.719 0 40 GJAB O=C(CNc1cc(Cl)c(OC(F)F)c(Cl)c1)Nc1cccc(F)c1 40149505 LNYPUOCWORZFAA-UHFFFAOYSA-N 379.165 4.785 0 40 GJAB Cc1cc(C)c(Cn2c3ccccc3n3c(=O)cc(C(F)(F)F)nc23)c(C)c1 40484655 QOKRHNAKDPTJAA-UHFFFAOYSA-N 385.389 4.642 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1OCC 44843703 HAJMRUBSYLRBPB-KXBFYZLASA-N 389.467 4.658 0 40 GJAB Cc1nc(-c2ccc(NC(=O)c3cnn(C)c3-n3c(C)ccc3C)cc2)cs1 48365992 RYRPXHXHBIQMBW-UHFFFAOYSA-N 391.500 4.512 0 40 GJAB COc1ccc(-c2csc(Cc3nc(-c4ccc(C)cc4)no3)n2)cc1OC 57354821 MADQUUKMBQSYDP-UHFFFAOYSA-N 393.468 4.777 0 40 GJAB CC(C)OCCCn1c(SCc2ccc(F)cc2)nc2ccccc2c1=O 67259122 WHBHKYAPJXMWQM-UHFFFAOYSA-N 386.492 4.643 0 40 GJAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccccc2C)n1 67297797 MFQRFALQBDHABI-BZZOAKBMSA-N 385.423 4.635 0 40 GJAB Cc1cccc(-c2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)c(=O)[nH]2)c1 69951021 ZJGIPSSROBUUJB-UHFFFAOYSA-N 387.464 4.726 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72348678 UZVXSXIHKYPXKD-IBGZPJMESA-N 392.449 4.970 0 40 GJAB COc1ccc(C2=CCN(C(=O)N[C@H](C)c3ccc(Cl)s3)CC2)cc1 84651709 RMLFAIAJPPFHND-CYBMUJFWSA-N 376.909 4.970 0 40 GJAB CCc1nc(C)ncc1C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 95960235 XZVUJPAXZUYIND-UHFFFAOYSA-N 392.406 4.742 0 40 GJAB Cc1sc(Cl)nc1C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 96230715 VNDYSCRXSVTDKW-UHFFFAOYSA-N 393.799 4.866 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)C[C@@H](c2cccs2)C1 102709913 URNTYBFRRNEZPE-MLCYQJTMSA-N 384.411 4.683 0 40 GJAB Cc1ccc2c(c1)cc(C(=O)NCCOc1ccc(-c3ccccc3)cc1)n2C 141574434 JCTLMWZMQLPWRH-UHFFFAOYSA-N 384.479 4.963 0 40 GJAB COC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219761205 BMKYRICYCXDGOL-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)c1 223027581 MRBCOTMIHDIBJP-LJQANCHMSA-N 389.879 4.930 0 40 GJAB CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224966320 CPCQUDKWBZUFBZ-UHFFFAOYSA-N 394.707 4.871 0 40 GJAB CC(C)Oc1cccc(CNC(=S)Nc2cccc(Br)c2)c1 225522833 XSKWMJDAQKVSIM-UHFFFAOYSA-N 379.323 4.723 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 225643570 ARFHDDPLUQPLIK-KRWDZBQOSA-N 397.500 4.627 0 40 GJAB FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NC2CCCC2)n1 226007113 UUFNHQVXGWSPTF-UHFFFAOYSA-N 382.411 4.517 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(Br)c(N)c2)o1 226305161 ZAPSSYNDUOWSIV-VXGBXAGGSA-N 377.282 4.694 0 40 GJAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 408622185 ONZMLEYLESOQSG-UHFFFAOYSA-N 391.855 4.756 0 40 GJAB Cc1cc(NC(=O)COc2ccccc2)ccc1-c1cc2ccccc2oc1=O 408629030 INGXPDDHKOGSJM-UHFFFAOYSA-N 385.419 4.786 0 40 GJAB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccccc1OC(=O)c1ccccc1 408843533 LWWVDCGXMJBQCP-AOAKWNDQSA-N 395.414 4.915 0 40 GJAB CSc1ccc([C@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1 408975147 IJLRRVPVGPYGIU-OAHLLOKOSA-N 385.539 4.844 0 40 GJAB CCN1C(=O)N/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C1=O 409229248 MBVKGDBKTYBNAI-KGENOOAVSA-N 386.451 4.640 0 40 GJAB CC(=O)N1CCCCCCCN(C(=O)c2cccc(F)c2)Cc2ccccc21 643589690 ZHZCORBSZZSGJQ-UHFFFAOYSA-N 382.479 4.785 0 40 GJAB Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)Nc2cccc(F)c2)cc1 708610 VSJALCPIYLVADA-CPNJWEJPSA-N 380.444 4.605 0 40 GJAB CC1=C(C(=O)OC(C)(C)C)C(c2ccccc2)C(C(=O)OC(C)(C)C)=C(C)N1 851641 RQPSUSSIZMVCRM-UHFFFAOYSA-N 385.504 4.605 0 40 GJAB CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCc2ccccc2C1 1340007 SVCXDUHTBFSICL-UHFFFAOYSA-N 376.525 4.783 0 40 GJAB COc1cc(OC)c(NC2=C[C@H](c3ccc(Cl)cc3)OC2=O)cc1Cl 1601807 GRIXNBIXONGNOO-OAHLLOKOSA-N 380.227 4.605 0 40 GJAB Clc1cccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)c1 2397036 LONCMFADUMGGCG-UHFFFAOYSA-N 382.876 4.927 0 40 GJAB O=C(COC(=O)Cc1ccsc1)Nc1ccccc1Sc1ccccc1 3252268 DOZYLEKXAKYNMM-UHFFFAOYSA-N 383.494 4.624 0 40 GJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1Br 4072181 GCQRSLZMHOJBGK-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCOC12CCCCC2 4106844 IXDSNKJETYVAKH-UHFFFAOYSA-N 378.831 4.575 0 40 GJAB COc1c(C)cccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109802 DWMZYOCQLDHWQZ-UHFFFAOYSA-N 378.394 4.875 0 40 GJAB COc1cc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1OCc1ccccc1 4502004 YKVVHVJMBIWFQY-HXUWFJFHSA-N 394.496 4.807 0 40 GJAB CCCCN1C(=O)[C@@](O)(CC(=O)c2c(C)c(C)c(C)c(C)c2C)c2ccccc21 4554964 BWOFNWHJUJWILB-RUZDIDTESA-N 393.527 4.836 0 40 GJAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 4715784 LTMPRLUDPLXDPX-AUSIDOKSSA-N 390.439 4.848 0 40 GJAB CC(C)c1ccc(-n2nnnc2S[C@H](C)c2nnc(-c3ccccc3)o2)cc1 5349334 WADLOBLCHHXWJG-CQSZACIVSA-N 392.488 4.689 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O 5376128 AIMGYRZEECDUFS-MHWRWJLKSA-N 375.833 4.685 0 40 GJAB CCn1c(SCc2cn3cccc(C)c3n2)nnc1-c1cccc(Cl)c1 6657789 HUFWAKLVBJIYFT-UHFFFAOYSA-N 383.908 4.867 0 40 GJAB C(=C/c1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3)\c1ccccc1 6945285 UIXFHUSBKNBILW-ZHACJKMWSA-N 377.513 4.577 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N(C)[C@H](C)c3ccccc3)s2)c1 8025927 NMMFEAFYUIEORV-OAHLLOKOSA-N 398.557 4.902 0 40 GJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(Cl)c(Cl)c1 8496573 AEJMYUPHLITSQX-UHFFFAOYSA-N 381.288 4.667 0 40 GJAB CCCOc1ccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OC 8734414 TYTNUCZYARKIQK-ZDUSSCGKSA-N 381.394 4.994 0 40 GJAB Cc1cc(C)c(NC(=O)c2cc3ccccc3c(=O)s2)c(-c2cc(C)n[nH]2)c1 12147344 YLIUTWZQTPLENJ-UHFFFAOYSA-N 389.480 4.829 0 40 GJAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1cc(C)c2ccccc2n1 12654671 SUVLNLUWRFKSJJ-UHFFFAOYSA-N 382.485 4.640 0 40 GJAB COc1ccc(/N=c2/cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc23)cc1 12659355 NNCNDZADQVJAQA-CLCOLTQESA-N 387.391 4.775 0 40 GJAB biogenic CC(C)N(CCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)C(C)C 12823769 NIUZMMNXDAURDH-UHFFFAOYSA-N 391.515 4.857 0 40 GJAB COc1cc(C[C@H]2C(=O)N(c3ccccc3)c3ccccc32)cc(OC)c1OC 15018193 MTXMJVMXHPUSHP-LJQANCHMSA-N 389.451 4.717 0 40 GJAB COc1ccc(CCN[C@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)cc1 15940866 GVXRDZHLNKCMEZ-DEOSSOPVSA-N 388.511 4.824 0 40 GJAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2cnc(C(C)C)nc2)cc1OC 19454154 LQAOHYIBEYHTOU-YDLSIGKMSA-N 395.547 4.679 0 40 GJAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1)c1ccccc1 21346617 SQLFRRAYTMNMLL-ZWKOTPCHSA-N 388.467 4.584 0 40 GJAB CN(C)/C=C(\c1ccc(Cl)cc1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 29763532 YDFVPOSVHQGBKJ-RZMWGWOTSA-N 382.312 4.939 0 40 GJAB COc1ccc(-c2nc(C(=O)N(C3CCCCC3)C3CC3)cs2)cc1OC 32800790 IKAKOWPQNAHXEY-UHFFFAOYSA-N 386.517 4.765 0 40 GJAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OC(C)C)cc2)c1 36365766 WDKZEXVRSFFEHZ-LJQANCHMSA-N 377.444 4.792 0 40 GJAB CCOc1c(Cl)cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1OC 49765808 FFNIHFKRVZWZRL-GOSISDBHSA-N 388.895 4.900 0 40 GJAB O=C(C1CCN(CC(F)(F)F)CC1)N1CCC[C@@H]1c1cccc2ccccc12 56363057 QNBDBGJLLMMPDR-HXUWFJFHSA-N 390.449 4.778 0 40 GJAB Cc1cc2nnc(SCc3ccc(OCc4ccc(F)cc4)cc3)n2c(C)n1 58381501 JQZRYECSCUHKGY-UHFFFAOYSA-N 394.475 4.752 0 40 GJAB Cc1cccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(C)cc2C)c1 59502353 QUWDNUZNILVOOZ-UHFFFAOYSA-N 398.462 4.512 0 40 GJAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72356036 OSVIOLHFNFPDJX-DEOSSOPVSA-N 384.523 4.930 0 40 GJAB O=C(O)c1cc(Br)c(-c2ccc(Cl)cc2Br)o1 73638380 XYBTXURMCVRCMB-UHFFFAOYSA-N 380.419 4.823 0 40 GJAB O=C(Nc1ccc(Br)cc1Br)c1cc(F)ccc1F 79077304 CFUKLQBUSYFTNO-UHFFFAOYSA-N 391.009 4.742 0 40 GJAB Cc1c(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)sc2nccn12 95978941 PACDSLAVXWGKGA-UHFFFAOYSA-N 398.875 4.584 0 40 GJAB Cc1ccc(OCC(=O)NCCSCc2c(F)cccc2Cl)c(C)c1 222824998 UQNAZOWPQAIUMS-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)c1 222881855 QKSULXBBEIBLEF-QGZVFWFLSA-N 391.467 4.774 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccccc1F 222965365 XEZSKPXGCUFWIN-IBGZPJMESA-N 375.509 4.650 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 223030977 QGCJXMGALJGKCY-OXJNMPFZSA-N 375.896 4.698 0 40 GJAB Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C 223471265 QOMAQQCHUAVEJC-IBGZPJMESA-N 382.523 4.840 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)CSCc1cccc(Cl)c1 223746563 BVDFQWQVHKRXHL-UHFFFAOYSA-N 377.937 4.892 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225163867 GZZMOOWFVSBPST-QGZVFWFLSA-N 388.464 4.579 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 225579245 SEUZWJDWFHBFPG-OFNKIYASSA-N 394.559 4.568 0 40 GJAB CCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C(=O)OC 225853385 UDKUICGPSBXUEP-OPAMFIHVSA-N 391.508 4.576 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OC(C)C)c(OC)c3)N21 260775204 PTOQCHSLXDYLBA-CZAAIQMYSA-N 397.544 4.857 0 40 GJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(C)c(C)c3)sc2n1 408624260 VEEWOHJQSQIZBO-UHFFFAOYSA-N 398.557 4.883 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)c1 409155152 PXHCSPBDZNTLNC-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB Cc1cc(N[C@H](C)c2cnn(C)c2C)c2cc(Br)cc(F)c2n1 536984505 FKRSYYDPKPICOB-SNVBAGLBSA-N 377.261 4.660 0 40 GJAB O=C(NCCCCn1ccnc1)Nc1cccc(CSCc2ccccc2)c1 609713854 QELFEILRETYDJC-UHFFFAOYSA-N 394.544 4.918 0 40 GJAB COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)c1 1525273227 REROSVFHAHRWCN-SHTZXODSSA-N 381.369 4.871 0 40 GJAB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccs1 684651 VJTATNOPIPTWQF-SFHVURJKSA-N 398.513 4.546 0 40 GJAB Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCC(C)CC3)c2c1C 1340409 HUEQDWMKZZPSRC-UHFFFAOYSA-N 377.579 4.782 0 40 GJAB CC(=O)N1CCc2cc(-c3csc(NC(=O)c4cccc(Cl)c4)n3)ccc21 1365556 DQDJORFOOSPJCO-UHFFFAOYSA-N 397.887 4.625 0 40 GJAB COc1ccc(-c2c(NC(=O)c3ccccc3C)n(C)c3ccccc3c2=O)cc1 2197317 OTSBCNIDPGSQPE-UHFFFAOYSA-N 398.462 4.775 0 40 GJAB Cc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)n2ncnc2N3)c1 2238620 WYAVRVPAZZYDDL-GOTSBHOMSA-N 393.450 4.541 0 40 GJAB CCOC(=O)C(=O)N1c2cc(C)c(C)cc2-c2c(ssc2=S)C1(C)C 2266685 XVNLUXPKYFEZEV-UHFFFAOYSA-N 393.555 4.968 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)c3ccc(F)c(F)c3)s2)cc1 2622408 VQHGZKXYQDPMOK-UHFFFAOYSA-N 377.441 4.843 0 40 GJAB Cc1nc(C(=O)Nc2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1Cl 3111130 AGGXFUGWMPXGJN-UHFFFAOYSA-N 381.650 4.788 0 40 GJAB CN1CCC(N(C)C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1 3306213 BTABTQBHNNOWSP-UHFFFAOYSA-N 399.947 4.783 0 40 GJAB COc1cc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)cc(OC)c1OC 4348364 HCUCKAFHHRTAEP-UHFFFAOYSA-N 386.473 4.698 0 40 GJAB Cc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(Cl)s3)nc12 4359692 WLYBNWYBGDQSRT-UHFFFAOYSA-N 393.965 4.918 0 40 GJAB CC(C)(C)c1cc(CNNC(=S)Nc2ccccc2)cc(C(C)(C)C)c1O 4663388 AIYWVMZWEVYPEI-UHFFFAOYSA-N 385.577 4.978 0 40 GJAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCCC2)cc1 4747006 MKADOLFIMDDDKZ-UHFFFAOYSA-N 389.293 4.619 0 40 GJAB O=C(c1cc2c(c3ccccc13)N[C@H]1CC[C@]2(C(F)(F)F)O1)C(F)(F)F 4941462 SCSRDRBCRJULEL-DOMZBBRYSA-N 375.268 4.904 0 40 GJAB CCCOc1ccc(C(=O)O)cc1Sc1cc(C(=O)O)ccc1OCCC 5431822 QMQJHPWNFFAKKK-UHFFFAOYSA-N 390.457 4.812 0 40 GJAB CCOc1ncccc1C(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 6579233 JBMLTXAJDFQRPF-UHFFFAOYSA-N 381.413 4.709 0 40 GJAB COC(=O)c1c(NC(=O)Cc2coc3cc(C)cc(C)c23)sc2c1CCC2 6809838 LXXOHCCHCHBEIM-UHFFFAOYSA-N 383.469 4.568 0 40 GJAB CC(=O)c1cccc(OCC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)c1 6905934 VRUVCITWTZUXGR-UHFFFAOYSA-N 391.452 4.512 0 40 GJAB O=C(COc1ccccc1)Nc1nc(-c2ccc(Br)s2)cs1 7924007 KVEZTAXNBGQKAA-UHFFFAOYSA-N 395.303 4.652 0 40 GJAB Cc1ccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C)cc1 9484062 VSXUAGQZJSVUFQ-UHFFFAOYSA-N 391.862 4.622 0 40 GJAB Cc1ccc(CN(C)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c(C)c1 9792029 KJQHBQHJPUMQIW-JOCHJYFZSA-N 382.504 4.613 0 40 GJAB Cc1cccc(CSCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 10330787 ULIDARGWUPGBJR-UHFFFAOYSA-N 382.573 4.644 0 40 GJAB C[C@@H](NC(=O)Cc1csc(SCC(=O)c2ccccc2)n1)c1ccccc1 12444140 VYLCUOSUDUFAGD-OAHLLOKOSA-N 396.537 4.538 0 40 GJAB O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12906901 GHTRCXAPSVPNLK-UHFFFAOYSA-N 396.796 4.889 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2occc2COc2ccccc2)cc1Cl 12926070 KHRTVXOOCJCBRJ-UHFFFAOYSA-N 384.819 4.723 0 40 GJAB CC(C)c1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c2cnn(C(C)C)c2n1 12943596 ADAQZNVFSZCLGA-ZDUSSCGKSA-N 382.430 4.550 0 40 GJAB C[C@H]1CCCCN1C(=O)COC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 13055850 QKNFYPZAKVIFEL-LBSLPOPVSA-N 397.902 4.825 0 40 GJAB Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)CC2)c1C 14396821 XLUJAQRJYAWWPS-FQEVSTJZSA-N 394.559 4.717 0 40 GJAB CC(CNC(=O)COc1ccc2c(c1)CCC2)(c1ccccc1)c1ccccc1 14672742 SQYGOGLXWIDJTB-UHFFFAOYSA-N 385.507 4.677 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(O)c(Br)c2)N1Cc1ccco1 15248789 XYJFZNJADDUGJS-SFHVURJKSA-N 399.244 4.514 0 40 GJAB Cc1ccc2nc(-c3ccc(-n4c(O)nc5ccccc5c4=O)cc3)sc2c1 15424795 ZORPHUPWWSAMRD-UHFFFAOYSA-N 385.448 4.676 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)c2c[nH]c3ccccc23)cc1 18074504 CNHLONJADITFHE-OAQYLSRUSA-N 388.442 4.878 0 40 GJAB Cc1nc2sccn2c1CN(Cc1ccccn1)Cc1ccccc1Cl 19555051 NIXBXXRQJXWXFC-UHFFFAOYSA-N 382.920 4.955 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccccc1F 20454645 MCBMJSZTVIYFAS-HXUWFJFHSA-N 375.509 4.650 0 40 GJAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 21587333 PGIKLWMENXXMRD-FQEVSTJZSA-N 380.488 4.519 0 40 GJAB CN1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 23153862 FNXZFVUGJUSEAZ-UHFFFAOYSA-N 385.558 4.997 0 40 GJAB O=C(CCCn1cnc2ccccc2c1=O)Oc1ccc(Cl)c2ccccc12 24690127 OBGAFTNHLWTKQF-UHFFFAOYSA-N 392.842 4.589 0 40 GJAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1ccccc1Br 28220551 BJSIUVCPMDUKCJ-UHFFFAOYSA-N 390.668 4.600 0 40 GJAB O=C(NC1CCCCCC1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 33170748 WHJYKFHBHKNWKF-UHFFFAOYSA-N 394.519 4.712 0 40 GJAB C=C1C[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 35566777 UDKABVSQKJNZBH-WHOGZOBZSA-N 396.527 4.741 0 40 GJAB CC[C@H](NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)c1ccc(OC)cc1 36092722 AKRBXFCRANQGLD-MBSDFSHPSA-N 380.532 4.808 0 40 GJAB CCOc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 36398679 JSZPUCFHNWKMMK-NRFANRHFSA-N 398.553 4.795 0 40 GJAB CCc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 36398705 RQCNTPVLNFHBLG-OAQYLSRUSA-N 382.554 4.958 0 40 GJAB O=C(CSCc1ccccc1)NCCc1csc(-c2ccc(F)cc2)n1 38667207 COPBDISMLOXAHJ-UHFFFAOYSA-N 386.517 4.541 0 40 GJAB CC[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)c1ccccc1OC 48303973 OIRHAWVMUXZMNK-KRWDZBQOSA-N 384.476 4.768 0 40 GJAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC[C@@H](C)CC1 58430101 RKZOQUYNUPREMP-CQSZACIVSA-N 393.453 4.699 0 40 GJAB O=C(NCCC(=O)N1CCCCCC1)c1cc2sc3ccccc3c2s1 58432457 TYMMQUGIOQAEJS-UHFFFAOYSA-N 386.542 4.639 0 40 GJAB Cc1cc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c(C)s1 61523343 XPKRSEHTJJFPGN-UHFFFAOYSA-N 375.497 4.693 0 40 GJAB CC(C)Cc1nc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cs1 63570802 QUIRTRAXNBXIBK-UHFFFAOYSA-N 395.532 4.579 0 40 GJAB Cc1cccc(-n2nc(-c3nc(-c4ccccc4C)no3)c3ccccc3c2=O)c1 64949748 YMDWFKBYYDEDGJ-UHFFFAOYSA-N 394.434 4.720 0 40 GJAB C[C@H]1CCc2c(sc3nc(-c4cccc(Br)c4)[nH]c(=O)c23)C1 65002295 MZUXWDRHTXHNFF-VIFPVBQESA-N 375.291 4.539 0 40 GJAB COc1ccc(C(=O)N[C@H]2C[C@@H](Cc3cc(-c4ccccc4)on3)C2(C)C)cc1 67890247 WJJNKGZSCWVKEF-GCJKJVERSA-N 390.483 4.737 0 40 GJAB biogenic,in-vitro Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCc1c[nH]c2ccccc12 84016907 IGGCIYCPCZLVIT-UHFFFAOYSA-N 380.442 4.581 0 40 GJAB N=C(Nc1ccc2c(c1)OCCO2)SCc1c(Cl)ccc2cccnc12 84493710 UMTVPOZMCYWMGC-UHFFFAOYSA-N 385.876 4.939 0 40 GJAB Cc1c(C(=O)N[C@H](Cc2ccccc2)Cc2c[nH]cn2)oc2ccc(Cl)cc12 89568194 GKFNDDAEHVLHBE-QGZVFWFLSA-N 393.874 4.702 0 40 GJAB OC1(c2ccccn2)[C@H]2CCC[C@H]1CN(Cc1cccc(Cl)c1Cl)C2 100148873 SKMJAVSQFYVUKD-HOTGVXAUSA-N 377.315 4.508 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)ccc21 100271171 FMQSFXLYUGDCOT-ZEQRLZLVSA-N 390.483 4.875 0 40 GJAB COC(=O)c1cc(F)c(C)c(NC(=O)c2ccc(-c3ccsc3)nc2C)c1 101826439 YSRSFGRCQCUIOW-UHFFFAOYSA-N 384.432 4.605 0 40 GJAB CC1=C[C@H](C)[C@]2(COC(=O)CN3CCCCC3)CO[C@H](c3ccccc3)[C@@H]1[C@H]2C 105364729 HNJMMPWWHNRBHV-DNRDEDMTSA-N 397.559 4.622 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1C1CCCC1 222825380 DHLBZFQESXZCFX-SFTDATJTSA-N 382.577 4.996 0 40 GJAB CC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(OC)c(OC)c1 222838337 HXQGFVHCTXRNLY-HXUWFJFHSA-N 379.456 4.503 0 40 GJAB CCc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 223274328 QOCJNLRKJSYMKO-HKWRFOASSA-N 376.481 4.720 0 40 GJAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1C(=O)c1ccccc1 224424778 GPPWIKVCHHXTEK-UHFFFAOYSA-N 385.463 4.814 0 40 GJAB COc1cccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(Cl)cc3)o2)c1 224851469 LXYNILPNQCKPGJ-CQSZACIVSA-N 384.863 4.814 0 40 GJAB COc1ccc(NC(=S)NCCCSCc2ccccc2)cc1Cl 225597387 VZCDJRVLAVJQJC-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB C[C@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC(C)(C)C)n1 225895473 ZSMQPWQAZOKIHD-HNNXBMFYSA-N 399.564 4.733 0 40 GJAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1ccc(Cc2ccc(F)cc2)nc1 257271519 MYQRPNRGLBQVSX-FQEVSTJZSA-N 395.503 4.944 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CN(C)CC[C@H]1c1ccc(F)cc1 257353593 RZVKAWNUVBFUSF-QAGBHRCTSA-N 375.528 4.865 0 40 GJAB CCN(C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCCC2)c1ccccc1 408546656 LLCCQKHOXQTTBG-UHFFFAOYSA-N 395.450 4.519 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408647807 XMTIZGVANQLXNM-MRXNPFEDSA-N 378.859 4.793 0 40 GJAB Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccccc2)c1C 408699211 VMVXKHFWVXHQPV-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1ccc(SCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 408705318 CAANAGWUGMFDQA-MRXNPFEDSA-N 377.937 4.941 0 40 GJAB COc1ccc(-c2nc(NC(=O)CC[C@H](O)c3ccccc3)sc2C)cc1 409205525 OODWNWOKKOUAEY-SFHVURJKSA-N 382.485 4.579 0 40 GJAB COCCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409241333 RGTHUTVMWWXHJB-LFIBNONCSA-N 377.849 4.673 0 40 GJAB Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 409385003 HJZWDLUQVFNNEC-UHFFFAOYSA-N 396.221 4.841 0 40 GJAB Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N1CCC[C@@H]1CCO 429426646 NRWKFEPSHFAGIN-GOSISDBHSA-N 388.895 4.606 0 40 GJAB O=C(c1ccc2ccccc2c1)N1C[C@H]2CC[C@H]1[C@@H]1CN(Cc3ccccc3)C[C@@H]21 656408307 XDMMPDFTXPAWIC-ZJSPYRCASA-N 396.534 4.822 0 40 GJAB CN1CCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C[C@H]1c1ccccc1 1848353672 PGFPOLXPNZQRGU-DEOSSOPVSA-N 386.495 4.541 0 40 GJAB Cc1c(C(=O)OC(C)C)sc(NC(=O)C2CCCCC2)c1C(=O)OC(C)C 996443 NVJSTFAASCAJHT-UHFFFAOYSA-N 395.521 4.706 0 40 GJAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 1058021 DJSAESLZQSCBQB-YCIYHOANSA-N 399.877 4.911 0 40 GJAB biogenic CCOc1ccc(C(=O)Nc2ccc(I)cc2CC)cc1 1263796 JMBMKZRMEPVQSK-UHFFFAOYSA-N 395.240 4.505 0 40 GJAB COc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4C)c3ccccc23)cc1 1300418 MDHPFFQTWOECOZ-UHFFFAOYSA-N 381.439 4.936 0 40 GJAB O=C1[C@H]2CSCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(Cl)c1 1384520 FTEZFODPRHSBKD-MRXNPFEDSA-N 398.837 4.785 0 40 GJAB O=C(Nc1ccccc1C(=O)Nc1nccs1)c1ccc(Cl)cc1Cl 1415131 WPBQTNRATSEBSS-UHFFFAOYSA-N 392.267 4.955 0 40 GJAB CCc1ccc(OCc2nnc(S[C@H]3CCCCC3=O)n2CC(C)C)cc1 2657013 JWNVWAUVOYWUKZ-IBGZPJMESA-N 387.549 4.679 0 40 GJAB O=C(c1cccc(F)c1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120469 UQCDBGRGXIXTHF-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB COc1ccc(Nc2nc(Nc3ccccc3)nc3c2cnn3C)cc1Cl 4272747 BHMXYNJLWHTOQZ-UHFFFAOYSA-N 380.839 4.513 0 40 GJAB O=C(Nc1ccc(F)cc1F)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 4882351 BMANXMJEXVVXFP-YQQQUEKLSA-N 385.458 4.672 0 40 GJAB CCOc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 4883316 PNZPGFYCLJMZHY-AYHJJNSGSA-N 399.560 4.854 0 40 GJAB COCCn1cc(NC(=O)Nc2ccc(OC(F)F)cc2)c2ccccc21 5266554 LNTXWJNFAQSWJP-UHFFFAOYSA-N 375.375 4.533 0 40 GJAB COc1ccc([C@](O)(CCN2CC3CCC(CC3)C2)Cc2ccccc2)cc1 6484523 OFLCDQBICSKPPZ-OWWUNANSSA-N 379.544 4.638 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 6649471 LVXYHKHBWNTQCY-AWEZNQCLSA-N 390.936 4.989 0 40 GJAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc(F)cc1F 6932572 PIMLKOKHFUEALE-UHFFFAOYSA-N 395.481 4.672 0 40 GJAB COc1ccc(CC(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 7614250 WOYNLUOAYKVMMY-UHFFFAOYSA-N 381.482 4.610 0 40 GJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 7882070 ZPWHBDZCYZZSMW-OCCSQVGLSA-N 377.271 4.542 0 40 GJAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)Cc1c(F)cccc1Cl 8533972 SBCUFXVKNBNHIN-NSHDSACASA-N 388.792 4.957 0 40 GJAB Cc1cc(C)cc(NC(=O)CSCc2cc(=O)c3ccc(C)c(C)c3[nH]2)c1 8617288 YAOJYUIFWZJERL-UHFFFAOYSA-N 380.513 4.634 0 40 GJAB COc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc(OC)c1 8707581 AWNVCRIVUYYCOK-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 9063360 GWWPOTGSGAMHTF-GOSISDBHSA-N 384.951 4.690 0 40 GJAB Cc1nc(-c2ccccc2)c(C(=O)NCCCn2ccc3ccccc32)s1 9549974 FYUMWUUQMAQNLI-UHFFFAOYSA-N 375.497 4.893 0 40 GJAB CCS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 11543299 YZTSGMGVRPAFDE-UHFFFAOYSA-N 389.860 4.646 0 40 GJAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(N2CCCCCC2)cc1 12569635 IXCBGRYXXVNNDG-KRWDZBQOSA-N 383.561 4.686 0 40 GJAB Cc1ccc(-n2c(SCc3cn4ccccc4n3)nc3ccccc3c2=O)cc1 12659211 MCNBVIUYYPAGOW-UHFFFAOYSA-N 398.491 4.634 0 40 GJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC2 12699975 QNXAILTUJRFDNQ-UHFFFAOYSA-N 376.504 4.689 0 40 GJAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O 12778610 SIZJFNISGXNMHV-OAHLLOKOSA-N 395.528 4.659 0 40 GJAB COc1ccc(CCNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1 12896295 LMZAXMAHNTZRNN-UHFFFAOYSA-N 387.479 4.684 0 40 GJAB O=C(OCc1c(F)cccc1Cl)c1nccnc1-c1nc2ccccc2s1 12985811 LZBOWFWEAZGGCB-UHFFFAOYSA-N 399.834 4.903 0 40 GJAB O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCCCC2)cc1 14401949 BBAUWYLMDINXBU-UHFFFAOYSA-N 377.257 4.831 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 15829570 PSDBAALUCUVZJG-OAQYLSRUSA-N 397.515 4.744 0 40 GJAB CCn1nc(C(C)C)cc1C(=O)N(Cc1ccccc1)Cc1ncccc1C 19524121 YYCSWHADXYGOCV-UHFFFAOYSA-N 376.504 4.572 0 40 GJAB COCCn1cc(CNC2(c3cccc(OC)c3)CCCC2)c2ccccc21 19594214 HPEBXCCORVPGSJ-UHFFFAOYSA-N 378.516 4.855 0 40 GJAB COc1cc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc(OC)c1OC 19933844 LCBNESQWNIZYCF-JOCHJYFZSA-N 391.467 4.540 0 40 GJAB COc1ccc2c(CC(=O)OCc3cc4ccccc4nc3Cl)coc2c1 21318158 JEHSTAOPWOEJQP-UHFFFAOYSA-N 381.815 4.929 0 40 GJAB CCN(C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1ccc(F)cc1 22416290 BWMGMIFAAQEJLQ-UHFFFAOYSA-N 381.426 4.696 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1Cl 22514779 XONBDMODISXGGI-UHFFFAOYSA-N 375.852 4.623 0 40 GJAB Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)n1Cc1ccco1 22868819 UNADLAJPVUKFGO-UHFFFAOYSA-N 378.350 4.897 0 40 GJAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 27581793 LUOPJQHPVVHTLK-QFIPXVFZSA-N 380.532 4.741 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2coc(-c3ccc(F)cc3)n2)c(OC)c1 29441525 OMDXTWZNDAGIDK-HXUWFJFHSA-N 382.435 4.835 0 40 GJAB COc1cccc(Nc2nnc(SC[C@H](O)c3ccc(Cl)cc3)s2)c1 32906268 DOSHGRMLRVHJSO-HNNXBMFYSA-N 393.921 4.769 0 40 GJAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 40086870 GCHJQEWKCUXELX-FGZHOGPDSA-N 398.591 4.579 0 40 GJAB O=C1c2c(oc3ccccc3c2=O)[C@@H](c2cccc(Cl)c2)N1Cc1ccco1 41104989 CYVOHVBBWDLAGJ-LJQANCHMSA-N 391.810 4.785 0 40 GJAB CCOc1ccc(CCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 44851483 YDIUVUGEBLKYSX-UHFFFAOYSA-N 394.559 4.680 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 44945656 AADNAQOWCQWYQY-SFHVURJKSA-N 382.504 4.548 0 40 GJAB CCOc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3cc(C)no3)s2)cc1 48326301 FLCNHZPSUKISRB-QGZVFWFLSA-N 397.500 4.791 0 40 GJAB O=C(Nc1nccs1)c1ccc(OCc2nc(-c3ccco3)cs2)cc1 49032350 MTXMVNOJCHIALA-UHFFFAOYSA-N 383.454 4.691 0 40 GJAB Cc1cc2cc(CNc3ccc(N4CCC[C@H](C)C4)cc3)c(=O)[nH]c2cc1C 57712696 PNNFNSRSRLNNLK-INIZCTEOSA-N 375.516 4.993 0 40 GJAB O=c1c2ccccc2nc(SCCOc2ccc(F)cc2)n1-c1ccccc1 59182134 DMZPWAJZEDKPCG-UHFFFAOYSA-N 392.455 4.696 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)c1cnccn1 65092487 AJNAUFYLGGETTM-UHFFFAOYSA-N 377.297 4.679 0 40 GJAB C[C@H](Oc1ccc(F)cc1)c1nnc(C2(c3cccc(F)c3)CCOCC2)o1 71889864 ADEKJJOFHHHJJU-AWEZNQCLSA-N 386.398 4.584 0 40 GJAB COc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 72358388 ZQFYHGSCFLGARE-LJQANCHMSA-N 377.463 4.671 0 40 GJAB O=C(Cc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72358636 FQIXGNZEJKTYTQ-LJQANCHMSA-N 391.902 4.746 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)C[C@@H](O)c1ccccc1 79103252 SIXBWGBIZRDZMC-FZKQIMNGSA-N 384.863 4.545 0 40 GJAB C[C@@H]1CN(C(=S)Nc2ccc(OC(F)(F)F)cc2)C[C@@H](c2ccccc2)O1 84714133 XHUSSOFEBLKTHW-DYVFJYSZSA-N 396.434 4.744 0 40 GJAB Cc1cccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)c1 100032167 AHHDWVSDQDYQDT-MAUKXSAKSA-N 389.318 4.692 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)C[C@@H](c2ccccc2)C1 102709633 JUFNTDMMAPEXIK-XCLFUZPHSA-N 378.382 4.622 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](CC)C2 169683211 JZDDWFWBEDLKSG-CTASWTNQSA-N 375.534 4.814 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCCC[C@@H]1CC 215941476 CNLOJAYYGFFSRU-UNMCSNQZSA-N 382.548 4.768 0 40 GJAB O=C(COc1cccc2ccccc12)NCCSCc1ccccc1Cl 218908494 WTOIWKBUVXMVES-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB C[C@@H](Oc1ccccc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 219481622 HLUBWIOQOQUYSZ-CYBMUJFWSA-N 384.328 4.810 0 40 GJAB CSc1nnc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)s1 224882842 OJIDEUDFKOQLMT-UHFFFAOYSA-N 391.905 4.745 0 40 GJAB CCOc1ccccc1CCCNC(=O)c1cc(Br)ccc1Cl 225073404 MPGAFDASFUAWFI-UHFFFAOYSA-N 396.712 4.864 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCC2CCCCC2)cc1 225206958 FAMLZADBEPSKTQ-ZHZULCJRSA-N 382.529 4.524 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 225484409 VKFOZTUVURCAMB-NFBKMPQASA-N 394.559 4.568 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 225510914 IJKYMZYCXLKZSJ-NRFANRHFSA-N 390.508 4.858 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)COc2cccc3c2CCCC3)cc1OCC 225516381 PWUMNTDDOJURBM-KRWDZBQOSA-N 397.515 4.619 0 40 GJAB CCCCOc1ccc(NC(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)C2)cc1 225680097 SAZCGQDRCPWOCV-QGZVFWFLSA-N 382.460 4.616 0 40 GJAB COc1cccc(-c2noc(CCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1 225823166 WJVUVCBTQNMYNF-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OC)c1 225826743 WBCWJRBLTHHPJK-QFIPXVFZSA-N 393.524 4.966 0 40 GJAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 226253104 GZISLDFUROHAAU-KRWDZBQOSA-N 395.547 4.963 0 40 GJAB O=C(c1cc2ccccc2s1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 244975244 IHSIKKQYENFDLB-CYBMUJFWSA-N 381.482 4.643 0 40 GJAB O=C(O)c1cccc(CN2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)c1 257232203 GJUWVMLBECMGTP-NRFANRHFSA-N 394.446 4.830 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1C 408604197 HSAAKSVKIHLBMZ-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(NCc1ccco1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408979903 SYWKFWOCJREMOV-UHFFFAOYSA-N 398.426 4.535 0 40 GJAB CCOC(=O)Cn1c(C)c(/C=C2\Sc3ccccc3NC2=O)c2ccccc21 409108685 YMVADHOXVDKMCQ-NDENLUEZSA-N 392.480 4.598 0 40 GJAB O=C(Cc1ccc(F)cn1)N1CCC2(CCc3cc(-c4ccoc4)ccc32)CC1 585105632 KXOZKZFLFVIZIA-UHFFFAOYSA-N 390.458 4.530 0 40 GJAB Cc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3F)n[nH]2)o1 1617957852 DTFWAAORQKDWJG-LJQANCHMSA-N 389.430 4.831 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1ccc(F)cc1Cl 1775976621 CKNNQJYJWFHORB-KRWDZBQOSA-N 375.852 4.671 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 882307 KDACLEACOYBIRG-QGZVFWFLSA-N 387.549 4.917 0 40 GJAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)N1CCCCC1 943601 PAENVQVOZHHHHT-UHFFFAOYSA-N 397.858 4.505 0 40 GJAB biogenic CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3C)coc2c1 957223 GMXAGEDTMIRTIK-MRXNPFEDSA-N 396.439 4.841 0 40 GJAB NC(=O)[C@@H](c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl 1400170 XNYADOYXLCBLDN-QGZVFWFLSA-N 390.295 4.552 0 40 GJAB Fc1ccccc1[C@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@@H]2c1ccccc1 2253370 NKCJQCUJJLVPOV-XZOQPEGZSA-N 396.425 4.630 0 40 GJAB c1ccc2c(c1)sc1nnc(Sc3ncnc4sc5c(c34)CCCC5)n12 3172598 FOOBDHZQWBJRBE-UHFFFAOYSA-N 395.538 4.979 0 40 GJAB COc1ccc(Nc2nnc(SCC(=O)c3ccc(Cl)s3)s2)cc1 3294432 FINBXROJJKMPGC-UHFFFAOYSA-N 397.934 4.980 0 40 GJAB CCN(CC(=O)Nc1cc(Cl)ccc1C)c1ncnc2sc(C)c(C)c12 3298214 VTDVDFLRAJPTLY-UHFFFAOYSA-N 388.924 4.735 0 40 GJAB CCOc1ccc(-c2nc3sc(C)c(C[C@@H](C)CC)c3c(=O)[nH]2)cc1OC 3342414 SAUQLXISEMBTCI-LBPRGKRZSA-N 386.517 4.956 0 40 GJAB Cc1cc2oc(=O)cc(Cn3nnc(-c4ccc(Cl)cc4)n3)c2cc1C(C)C 3423609 YRCGLZMXCQYUJB-UHFFFAOYSA-N 394.862 4.580 0 40 GJAB aggregator C[C@H](C(=O)NCc1ccccc1Cl)n1c(C(F)(F)F)nc2ccccc21 4025141 OWNDRCNIVGXIOZ-LLVKDONJSA-N 381.785 4.586 0 40 GJAB CCCCOC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 4430115 CVLCOGYIYQYHQM-UHFFFAOYSA-N 383.532 4.632 0 40 GJAB CCCOc1ccc(N2C(=O)C[C@@H](N(CCC(C)C)CCC(C)C)C2=O)cc1 4887816 GWURKFAHBSJFLB-OAQYLSRUSA-N 388.552 4.502 0 40 GJAB Cc1ccccc1-c1noc(CSc2nnc(C3CC3)n2-c2ccccc2)n1 6128530 DYIYSBFBSRTSRA-UHFFFAOYSA-N 389.484 4.795 0 40 GJAB C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 6946988 IEERXSOTQSRBBQ-NSHDSACASA-N 377.391 4.768 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)NCCSc2ccc(Cl)cc2)c1 7368559 OZUUHYRDGPEBMU-UHFFFAOYSA-N 394.949 4.514 0 40 GJAB CN(Cc1ccco1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 7737031 QHGHVOVVOHJYAC-CCEZHUSRSA-N 397.478 4.863 0 40 GJAB CC[C@H](C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1)c1ccccc1 8071963 KWXPVAMXHWZIQB-INIZCTEOSA-N 399.541 4.640 0 40 GJAB CCCCNC(=O)CSc1nnc(Nc2ccc(CCCC)cc2)s1 8166325 CWAFFECQBFLCDT-UHFFFAOYSA-N 378.567 4.633 0 40 GJAB CCOc1ccc(CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCC 8352213 UJOTYEOMAXTGPL-UHFFFAOYSA-N 396.314 4.692 0 40 GJAB Cc1c(Cl)c(CSc2nnc(-c3cccs3)n2N)nc2ccccc12 8427918 IDMYHWXSMKPPQM-UHFFFAOYSA-N 387.921 4.523 0 40 GJAB O=C(NC1CCCCC1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 8476502 ATDJLHSRLDATLW-UHFFFAOYSA-N 380.879 4.650 0 40 GJAB C(=C(c1ccccc1)c1ccccc1)c1nn2c(-c3ccccn3)nnc2s1 9576666 WCZDUGFIVPKBRF-UHFFFAOYSA-N 381.464 4.837 0 40 GJAB CCc1nn2c(=O)cc(-c3ccccc3OC)[nH]c2c1-c1ccc(Cl)cc1 9935418 DKPBKZQYDUXFRV-UHFFFAOYSA-N 379.847 4.581 0 40 GJAB O=C(/C=C/c1cnc2ccccc2n1)N1CCC(c2c[nH]c3ccccc23)CC1 10882447 XYZLHGDAHLEKPB-MDZDMXLPSA-N 382.467 4.531 0 40 GJAB O=S(=O)(c1cccc2cccnc12)N(Cc1ccccc1)Cc1ccccc1 11851884 XSJUJBIKJDYONU-UHFFFAOYSA-N 388.492 4.626 0 40 GJAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccc(N(C)C)cc3)cc2)cs1 12562174 XWDAOCUFYQLWLC-AWEZNQCLSA-N 380.517 4.624 0 40 GJAB COc1ccc(C(=O)C2CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC2)cc1 12741961 PBGMSYBTVCHMRR-UHFFFAOYSA-N 397.858 4.830 0 40 GJAB Cc1cc(CNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)ccc1F 12771033 HKVYWPXTDOPIRK-UHFFFAOYSA-N 381.451 4.557 0 40 GJAB COc1ccccc1NC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1Cl 12802084 JAHIUIKSERSSTN-QGZVFWFLSA-N 390.867 4.553 0 40 GJAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(-c2ccccc2Cl)o1 12979809 ISGQOSVZIRKVJE-UHFFFAOYSA-N 382.847 4.585 0 40 GJAB C[C@@H](NC(=O)CSc1nnc(C2CC2)o1)c1ccc(-c2ccccc2)cc1 14141915 NANDZPFCXHXBHM-CQSZACIVSA-N 379.485 4.584 0 40 GJAB Cc1cccc(C)c1NC(=O)CNc1nc(-c2ccccc2)nc2ccccc12 14169791 LRGBZTXSYOESAJ-UHFFFAOYSA-N 382.467 4.964 0 40 GJAB O=C(CCc1ncc(-c2ccccc2F)o1)Oc1ccccc1Br 14778422 GJRYMNKVOQNVFP-UHFFFAOYSA-N 390.208 4.781 0 40 GJAB COc1ccc2ccccc2c1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 15012208 OCRMNHSQJFOPHM-LDADJPATSA-N 378.815 4.599 0 40 GJAB Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccccc3)C2=O)cc1 15413161 KXSGABQNATYWOT-QFIPXVFZSA-N 390.870 4.770 0 40 GJAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCC(C)CC2)o1 15860532 UJFICGGRYIZJKS-QGZVFWFLSA-N 399.516 4.508 0 40 GJAB Cc1cccc(-c2nnc([C@H](C)OC(=O)c3cc(Cl)cc(Cl)c3N)o2)c1 16210468 KPCRTLQBZKZMPO-JTQLQIEISA-N 392.242 4.852 0 40 GJAB CCCSc1ncc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 16750820 SBIFEVVERAEICZ-UHFFFAOYSA-N 375.803 4.903 0 40 GJAB CCCOc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)c2ccccc12 16780641 BONRUJNEZZVDTQ-UHFFFAOYSA-N 385.485 4.828 0 40 GJAB COc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3cccc(OC)c3)cs2)cc1 19717303 TVJGKUFAHLIBJD-FQEVSTJZSA-N 394.496 4.805 0 40 GJAB Cc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)c(-c2cc(C)n[nH]2)c1 19718147 KVYUBVUCIRSEGY-UHFFFAOYSA-N 376.391 4.740 0 40 GJAB O=C(Nc1cccc(Cl)c1F)c1cnc2c(cnn2Cc2ccccc2)c1 23696264 MQJAZYVJXDEYNX-UHFFFAOYSA-N 380.810 4.524 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 25470667 IXMXGSGHBJJMEI-ZZXKWVIFSA-N 384.284 4.846 0 40 GJAB C[C@@H]1CCCN(Cc2csc(NC(=O)COc3ccc4ccccc4c3)n2)C1 28683497 PTWINOFEHVKKKJ-MRXNPFEDSA-N 395.528 4.546 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 29849544 DCNPHTRFGHKZOA-QFIPXVFZSA-N 381.431 4.581 0 40 GJAB COc1ccc(-c2nc(SCC(=O)Nc3ccc(C(C)C)cc3)no2)cc1 32615242 VOLRCSIRWKRIEA-UHFFFAOYSA-N 383.473 4.599 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1C 44849875 UEGOQHRTZBALQP-INIZCTEOSA-N 377.937 4.774 0 40 GJAB CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1C 44856651 JZENEUNVXLQDIP-OFNKIYASSA-N 382.523 4.922 0 40 GJAB Cc1nc(SCC(=O)N2CCC[C@H]2c2cccs2)n(CC(C)C)c1C 48324187 VIGLUWSYSKLZPF-INIZCTEOSA-N 377.579 4.673 0 40 GJAB CN(C(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 57486736 XJXWLPRBWIXYOT-UHFFFAOYSA-N 398.894 4.650 0 40 GJAB Cc1noc(C)c1CCC(=O)N[C@H]1CCCc2nc(-c3ccccc3)sc21 58156998 QIKTVHHGRZTWKA-KRWDZBQOSA-N 381.501 4.541 0 40 GJAB Cc1cc(NC(=O)c2ccc(COc3ccccc3)o2)n(-c2ccc(F)cc2)n1 58163014 ZVPDWSVPOAOFKC-UHFFFAOYSA-N 391.402 4.744 0 40 GJAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCCC2)c(OC)c1 71286931 BJQDEHIZSHTNJO-GOSISDBHSA-N 387.505 4.997 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n2)cc1 72029747 OHPWCWAYOXNLFQ-ZWKOTPCHSA-N 377.469 4.511 0 40 GJAB Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1nc(-c2ccncc2)cs1 72406202 SIHFEIWIFQOEIO-UHFFFAOYSA-N 395.875 4.511 0 40 GJAB CC(C)Oc1ccccc1CC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 78821180 APTSLNBYZFBLNW-QGZVFWFLSA-N 379.504 4.824 0 40 GJAB Cc1nc(-c2ccsc2)ccc1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 95948082 RDNBMMZYMKTWAR-UHFFFAOYSA-N 397.525 4.982 0 40 GJAB COc1ccccc1CC(=O)N1CCS[C@H](c2ccccc2Cl)CC1 206997061 JHKLWLPYGWXVFT-IBGZPJMESA-N 375.921 4.598 0 40 GJAB O=C(NCc1ccc(Cl)cc1)N1CCS[C@H](c2ccccc2F)CC1 219141549 BNLDDKWOPNELOI-SFHVURJKSA-N 378.900 4.869 0 40 GJAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 222487560 NGQDWODQQKODDJ-QHCPKHFHSA-N 394.559 4.568 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)CSCc2ccccc2F)cc1 222708473 ISEWYIUTQAMNTO-UHFFFAOYSA-N 375.509 4.595 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 222844089 NOYCBHVXXAZQKH-GJZGRUSLSA-N 388.895 4.583 0 40 GJAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C 223419435 XWBIYCJAXNSTAB-UHFFFAOYSA-N 378.516 4.891 0 40 GJAB COc1ccc(OCc2cc(C(=O)N[C@H](C)c3ccccc3)ccc2OC)cc1 224262872 JCSPHPDXJUMTOZ-QGZVFWFLSA-N 391.467 4.774 0 40 GJAB COc1cc2ccccc2cc1C(=O)NCc1ccccc1CN1CCCCC1 224837969 BUAZWQOMDWDNSJ-UHFFFAOYSA-N 388.511 4.764 0 40 GJAB C[C@H]1Cc2ccccc2N1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1 224981479 JJIANVPAOXWHCC-FQEVSTJZSA-N 384.523 4.854 0 40 GJAB CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 225148055 DEQLLHLEFJAQEC-UHFFFAOYSA-N 398.509 4.598 0 40 GJAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccc(Cl)cc1 225803555 QMEDDFDEQCNCST-UHFFFAOYSA-N 395.768 4.980 0 40 GJAB Cc1c(N)cccc1-c1nc2cc(Br)cc(Br)c2[nH]1 226343854 GNOLESKJPHOCDC-UHFFFAOYSA-N 381.071 4.646 0 40 GJAB CCOc1cc(/C=C/C(=O)OC)ccc1OCc1ccc(Br)cc1 226365230 LVIKDTAURUWJNH-YRNVUSSQSA-N 391.261 4.613 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl 408558243 PYKBTIOJACXHLC-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB COc1cc(C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OC 408622367 PVSOAVBPVCYCJX-UHFFFAOYSA-N 384.657 4.680 0 40 GJAB COc1c(F)c(F)c(C(=O)Nc2nc3c(C)ccc(C)c3s2)c(F)c1F 408622683 QNPKGCHVFFKLAP-UHFFFAOYSA-N 384.354 4.730 0 40 GJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 408629127 ZRZGGKUDEPPQQK-UHFFFAOYSA-N 397.725 4.792 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2cccc(OCc3cccnc3)c2)cc1 502150959 BEXPVCJBAKXAGI-UHFFFAOYSA-N 376.456 4.802 0 40 GJAB Cn1c(-c2ccc(Oc3cnccn3)cc2)nc2c(Br)cccc21 537949914 AVFHGRAOHRITIR-UHFFFAOYSA-N 381.233 4.585 0 40 GJAB Cc1cccc(-c2cncc(-c3nc(-c4cccc(-c5n[nH]c(C)n5)c4)no3)c2)c1 545038172 RBCBEDDJETXHNY-UHFFFAOYSA-N 394.438 4.868 0 40 GJAB O=C(O)c1cccc(CN2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1 585183364 QTXWPSKCQUJYOL-FQEVSTJZSA-N 396.874 4.954 0 40 GJAB CCCc1cc(C(=O)N2CCCCCCCN(C(C)=O)c3ccccc3C2)no1 643553525 YTXSBTIHJCYQDR-UHFFFAOYSA-N 397.519 4.587 0 40 GJAB Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCC([C@H]2CCCCO2)CC1 667043480 FOFNWHVDTRAIIE-HSZRJFAPSA-N 393.531 4.794 0 40 GJAB CC1CCN(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)CC1 781936 KKWLDYAYAMEJJS-UHFFFAOYSA-N 383.542 4.709 0 40 GJAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(Cl)cc1Cl)CC2 1037996 PNAIXJPNAVCLSY-NSHDSACASA-N 380.271 4.770 0 40 GJAB biogenic O=C(CSc1nc2ccccc2cc1Cc1ccccc1)N1CCCCC1 1339858 ZPBNORKEENMJTD-UHFFFAOYSA-N 376.525 4.930 0 40 GJAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccccc3F)c(C)c2oc1=O 2149506 SQHNKCPPRZUNGS-UHFFFAOYSA-N 398.430 4.624 0 40 GJAB biogenic C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 3240440 BEUSSTFODAWOHX-GHMZBOCLSA-N 383.872 4.640 0 40 GJAB Cc1cc(NC(=O)CSc2cn(Cc3ccc(F)cc3)c3ccccc23)no1 4059666 CVCYNVQDLFUWLC-UHFFFAOYSA-N 395.459 4.856 0 40 GJAB CCOc1c(F)c(F)c(COc2ccc3oc(C)c(C(=O)O)c3c2)c(F)c1F 4387787 SWEWQTWHRMCYFZ-UHFFFAOYSA-N 398.308 4.974 0 40 GJAB biogenic CCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccncc1 4800245 MPOLKGVJYFHYAE-UHFFFAOYSA-N 395.532 4.604 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(F)c(F)c2)CSC3)c(C)c1 5077819 WJEVESYYEQPFKC-UHFFFAOYSA-N 385.439 4.766 0 40 GJAB Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nc2ccccc2o1 5628586 NACXNCIDCFMYSQ-UHFFFAOYSA-N 398.875 4.613 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c1C 6479122 MMTPFULZQWITOR-UHFFFAOYSA-N 392.484 4.576 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1n[nH]c2nc3ccccc3n12 6509097 DDHDZZVJTLAKBC-KBPBESRZSA-N 393.516 4.843 0 40 GJAB Cc1ccccc1COc1ccc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 6678683 HNEYYCUGRIDJQP-FOIQADDNSA-N 393.512 4.769 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)N[C@H](c1ccc(F)cc1)c1cccs1 7221788 RBOUSCABVMVCPJ-LJQANCHMSA-N 397.500 4.761 0 40 GJAB O=C(Nc1ccnn1Cc1cccs1)c1ccccc1COc1ccccc1 8395764 JXRKEJGTKJDYOQ-UHFFFAOYSA-N 389.480 4.824 0 40 GJAB CC(C)Oc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 8570340 IJTFFCUKSIRNNA-UHFFFAOYSA-N 379.460 4.575 0 40 GJAB CCOc1ccccc1-c1nc(CC(=O)NC23CC4CC(CC(C4)C2)C3)cs1 8733878 XOGGTUBGYJBYIB-UHFFFAOYSA-N 396.556 4.836 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3ccncc3)c3cccc(C)c3C)c(=O)[nH]c2c1 9461360 PFUNWTCYLJPBON-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3)cc2C)cc1 10372049 CFIUHKYIZBDKMN-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCn1nc(C)c(CN(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)c1C 12186656 OAQJZZINYRYZGG-UHFFFAOYSA-N 386.584 4.733 0 40 GJAB Cc1nn(-c2ccccc2)c2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)O)c12 12396174 RRZNFYGCAZXZJY-UHFFFAOYSA-N 395.365 4.696 0 40 GJAB CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3ccc(-n4ccnc4)nc3)cc2C1 12520084 FWOKDESNPOMTBB-OAHLLOKOSA-N 380.517 4.732 0 40 GJAB COc1ccc(-c2nnc(CSc3nc(C)c(C)n3C3CCCC3)o2)cc1 12531961 QWVYFWHNUFSPRS-UHFFFAOYSA-N 384.505 4.966 0 40 GJAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)C1 12796027 VMNTVIOWYBVUOX-TXEJJXNPSA-N 381.904 4.666 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(-c2ccccc2)cc1 12799544 GHFQYBQTHUKJCE-NRFANRHFSA-N 376.525 4.982 0 40 GJAB CCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1 12860867 DONGFNJBLZEMCL-LLVKDONJSA-N 377.901 4.978 0 40 GJAB CC(=O)N[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 13018770 GYXSNTUBUAKWKU-MRXNPFEDSA-N 384.785 4.565 0 40 GJAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 14201677 BZYZQIPYENVZBL-UHFFFAOYSA-N 397.862 4.729 0 40 GJAB Cc1ccccc1Cn1nc(C)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1C 14222407 GNYAFOJLDIOSKI-UHFFFAOYSA-N 397.544 4.781 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 14426128 WZKWXHHCCQKANE-UHFFFAOYSA-N 395.261 4.623 0 40 GJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)cc4)cc3n2)cc1 16162118 QQZSYHXWEHMWMO-UHFFFAOYSA-N 386.455 4.552 0 40 GJAB O=C(CSc1ccc(-c2cccs2)nn1)Nc1cccc(C(F)(F)F)c1 17155226 JBNSVVIRNPAPGL-UHFFFAOYSA-N 395.431 4.955 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1c(-c3ccccc3)noc1C)O[C@H](C)C2 18238351 OIHHHTMTJCQRAY-CYBMUJFWSA-N 378.428 4.624 0 40 GJAB Cc1c(C(=O)Nc2ccccc2)nnc2c(-c3cccc4ccccc34)cnn12 19817171 ICFXCAZYRVEWNW-UHFFFAOYSA-N 379.423 4.505 0 40 GJAB COc1cccc2cc(C(=O)NCCSCc3cccc(Cl)c3)oc12 19887844 UVFOLUHQYRUUMR-UHFFFAOYSA-N 375.877 4.758 0 40 GJAB CC(C)c1c(-c2nnc(Cc3ccc(Cl)cc3)o2)nnn1-c1ccccc1 20735060 BRXDFLUIUDRMCV-UHFFFAOYSA-N 379.851 4.685 0 40 GJAB CC(C)c1ccccc1-n1ccnc1S[C@@H](C)C(=O)Nc1ccnn1C(C)C 24195157 VNHJRTJSBZNZIY-INIZCTEOSA-N 397.548 4.892 0 40 GJAB Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccc(Oc3ccccc3)cc2)C1=O 32771756 JMWZWCDGYAYOFI-OAQYLSRUSA-N 386.451 4.840 0 40 GJAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1nc(CN2CCCC2)cs1 32978596 RFDJHQPEDGSKAG-UHFFFAOYSA-N 381.501 4.570 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)C2=Cc3ccc(C)cc3OC=C2)cc1 33321305 TVGIGBOLTYFWPF-UHFFFAOYSA-N 377.440 4.880 0 40 GJAB O=C(c1csc(-c2ccco2)n1)N1CCCc2cc(OC(F)(F)F)ccc21 40090447 ZVDIZWRLARKYGL-UHFFFAOYSA-N 394.374 4.895 0 40 GJAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 41077039 GNMFHQOPGXCBGX-UHFFFAOYSA-N 387.842 4.763 0 40 GJAB CCSc1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 44901741 XYSRMKVTIBXJQO-ZDUSSCGKSA-N 377.531 4.935 0 40 GJAB COc1cccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)c1 49004737 CBTRTKPOYWGTSF-UHFFFAOYSA-N 390.487 4.707 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1cc(F)ccc1Cl 51364529 WOVZIRSHDGVHQV-HNNXBMFYSA-N 382.822 4.638 0 40 GJAB O=C(Nc1cccc(NC(=O)NC2CC2)c1)Nc1ccc(Cl)c(Cl)c1 58184078 ZLJKTOUJOJKGJW-UHFFFAOYSA-N 379.247 4.921 0 40 GJAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)c4scnc4C)C3)n2)cc1 72349834 OWWKVVGHFCDKPW-KRWDZBQOSA-N 393.512 4.542 0 40 GJAB Fc1ccc(N2CC[C@@H](CNc3nc(C(F)(F)F)nc4ccccc34)C2)cc1 84593256 VCJJCHYDDFKGJI-ZDUSSCGKSA-N 390.384 4.726 0 40 GJAB Cc1cccc(NC(=O)c2cc(-c3cn(-c4ccccn4)cn3)n3ccccc23)c1 96154936 OWFYOGAWEGCGPO-UHFFFAOYSA-N 393.450 4.748 0 40 GJAB C[C@@H]1CN(c2nc(-c3cccs3)nc3nc(-c4ccccc4)oc23)C[C@@H](C)O1 96346092 CGBBYQGIBBVVLJ-ZIAGYGMSSA-N 392.484 4.627 0 40 GJAB O=C(O)C/C(=C\c1csc(-c2ccccn2)n1)c1nc2ccccc2s1 96401754 SCWCTMKQYMASGI-FMIVXFBMSA-N 379.466 4.830 0 40 GJAB Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3Cc2cccs2)cc1 100425528 HQFPUAJGLRNHNO-RTBURBONSA-N 385.602 4.929 0 40 GJAB CCN(CC)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 101113434 CHKIYNDAMSPSOR-AGTSVGGPSA-N 386.586 4.935 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 223273169 JTMCJWILMOBZPD-JOCHJYFZSA-N 394.559 4.650 0 40 GJAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1C(C)C 223322991 RFWHYAQOXXLKRQ-HNNXBMFYSA-N 395.952 4.961 0 40 GJAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1C(C)C 223741859 NAEOJCDNWMIIHM-UHFFFAOYSA-N 375.534 4.763 0 40 GJAB COc1ncccc1NC(=S)NCC1(c2ccc(Cl)cc2)CCCC1 223977578 GCUMBWRLPYVMOT-UHFFFAOYSA-N 375.925 4.542 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1C(C)C 225190164 HEXUYSAZMYNBFI-UHFFFAOYSA-N 377.506 4.715 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1c(F)cccc1F 225687048 UIHGFYSIDHDLSW-OAHLLOKOSA-N 378.444 4.562 0 40 GJAB CCCOc1ccccc1CCCNC(=O)COc1cccc(C(F)(F)F)c1 225813603 GHCIAXZYRFUHPP-UHFFFAOYSA-N 395.421 4.622 0 40 GJAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc(Br)c3)nc2c1 226270321 GGSFRMAOVNMCFP-UHFFFAOYSA-N 399.166 4.782 0 40 GJAB Cc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)cc(C)c1O 257270641 MVBGAZQIPKBJFP-PTAIDSQPSA-N 385.548 4.664 0 40 GJAB Cc1ccc(-c2nnc(SC(=O)c3ccccc3Br)o2)cc1 408599824 LOMNPKZFHPOPKJ-UHFFFAOYSA-N 375.247 4.740 0 40 GJAB CCCCOc1ccc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1 408609810 OWWHEJWSKNROEL-HSZRJFAPSA-N 392.543 4.528 0 40 GJAB O=C(O)[C@@H](c1cccc(Cl)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 564661663 SHNAYRPXYFWORN-IAGOWNOFSA-N 399.796 4.558 0 40 GJAB FC(F)(F)c1nsc(N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 568367306 OFHRPYSHGLPYMO-LLVKDONJSA-N 387.818 4.818 0 40 GJAB FC(F)(F)c1cccc([C@@H](NCc2nc(-c3cccnc3)no2)C2CCC2)c1 585081338 HGGLNODXSFIFEG-SFHVURJKSA-N 388.393 4.781 0 40 GJAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2cc3c(s2)CCC3)cc1 585091703 AVJWEFHMIMAEOU-UHFFFAOYSA-N 391.492 4.778 0 40 GJAB CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1 858852 JHNGWWYWQMKWIP-UHFFFAOYSA-N 398.466 4.650 0 40 GJAB CCCCn1nc(NC(=O)COc2ccccc2)c2cc3cccc(C)c3nc21 2447586 MJKGRBVBXFXKMV-UHFFFAOYSA-N 388.471 4.711 0 40 GJAB Cc1ccc(-c2cc(C(=O)NCc3ccco3)n(-c3ccc(C)cc3C)n2)cc1 3306674 FUXPYPVXXDTJCP-UHFFFAOYSA-N 385.467 4.988 0 40 GJAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 3403189 MAQAZBORRLSUHZ-SFHVURJKSA-N 389.451 4.874 0 40 GJAB COc1cccc(-c2nnc(SC[C@@H]3CCCCO3)n2-c2ccccc2)c1 3426969 CLJSIKRWLSFOET-IBGZPJMESA-N 381.501 4.604 0 40 GJAB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2 4087610 RKRPVAOJNBWXRR-UHFFFAOYSA-N 379.485 4.579 0 40 GJAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 4386049 FJNGSZZWNRFJMQ-SFHVURJKSA-N 391.515 4.538 0 40 GJAB COc1ccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)cc1 4427041 WBUZWLNRGYXECI-UHFFFAOYSA-N 387.479 4.964 0 40 GJAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccco4)=NN32)cc1 4715764 WKYZGWHPELJVNR-AVRDEDQJSA-N 376.412 4.539 0 40 GJAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(Cl)cc1 4888140 WKXQXTNZXKIBOU-SEJPIABJSA-N 382.935 4.964 0 40 GJAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2c(C)cc(C)cc2C)c1 5360240 WAOHCDLZALMEQZ-UHFFFAOYSA-N 380.517 4.540 0 40 GJAB O=c1c2c(nc3n1CCCS3)c1ccccc1n2Cc1ccc(Cl)cc1 5451770 PSJDMPFHJRSMNG-UHFFFAOYSA-N 381.888 4.549 0 40 GJAB Cc1ccc(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c(C)c1 5625951 PEOPKCAROQXTHB-UHFFFAOYSA-N 396.922 4.651 0 40 GJAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Nc1cccc(C(F)(F)F)c1 5942818 AUTUDPBMJAOGQU-IEBWSBKVSA-N 389.421 4.854 0 40 GJAB CCC(=O)c1ccc(OCC(=O)Nc2ccc3nc(SC)sc3c2)cc1 6050659 RAILHKXCYYRYTI-UHFFFAOYSA-N 386.498 4.628 0 40 GJAB COc1ccc(NC(=O)Nc2nnc(SCCc3ccccc3)s2)cc1 7573033 RHCCICIAIHBDSK-UHFFFAOYSA-N 386.502 4.526 0 40 GJAB Cc1ccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1F 7653614 WUPHIQBWJMQVAW-UHFFFAOYSA-N 391.442 4.838 0 40 GJAB CCOc1ccc(Oc2ccccc2NC(=O)[C@H]2COc3ccccc3O2)cc1 7758382 YLIKTQYKWGYYJT-JOCHJYFZSA-N 391.423 4.656 0 40 GJAB CCc1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 8102741 VUEHNWIVRGRHRL-KRWDZBQOSA-N 380.513 4.644 0 40 GJAB Clc1ccc(OCCOc2ccc(-c3nnco3)cc2)c(Br)c1 8752897 TYXMGHBQUIXYSS-UHFFFAOYSA-N 395.640 4.610 0 40 GJAB O=C1N[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)Nc2sc3c(c21)CCCC3 12374680 PWPUXSGFVYNZGM-KRWDZBQOSA-N 384.892 4.525 0 40 GJAB C[C@H](c1ccccc1)N(C)C(=O)Cc1csc2nc(-c3ccccc3)cn12 12535706 QLSGQTJAMXUTOU-MRXNPFEDSA-N 375.497 4.825 0 40 GJAB CN1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)[C@H](c2ccccc2)C1 12737754 UCBIRUCTTCARIJ-QFIPXVFZSA-N 392.474 4.534 0 40 GJAB COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc(C)cc3)C2)cc1OC 12779317 VCVFQCJFCAJCDK-IBGZPJMESA-N 390.439 4.597 0 40 GJAB COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccccc3F)s2)cc1 12934577 KHOYUVQONIFRQW-UVTDQMKNSA-N 389.839 4.675 0 40 GJAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1c(F)cccc1F 12943691 ORMBXXPPLPNOAF-NRFANRHFSA-N 384.451 4.613 0 40 GJAB COc1cc(/C=C/C(=O)N(C)Cc2nc3ccccc3s2)ccc1OC(C)C 15091673 HNFNTTJBLGTZKD-ZRDIBKRKSA-N 396.512 4.764 0 40 GJAB COc1cc(CCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc(OC)c1 15585991 SFSIACQBDFZFFD-UHFFFAOYSA-N 385.794 4.530 0 40 GJAB COc1ccc(OCCCC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 19933228 CJMDHOULSKSCCW-QFIPXVFZSA-N 385.504 4.766 0 40 GJAB Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)c1 22907860 ROBCZIQVAFFIBT-NRFANRHFSA-N 376.525 4.586 0 40 GJAB Cc1noc(CSc2ccc(C(=O)N(C)[C@H]3CCCc4ccccc43)cc2)n1 23013994 JRLHBJPBQLUSST-FQEVSTJZSA-N 393.512 4.820 0 40 GJAB Cc1cccc(CSCC(=O)NCc2ccccc2CN2CCCCC2)c1 24181855 YPGISOZFKHFLOC-UHFFFAOYSA-N 382.573 4.531 0 40 GJAB O=C(Nc1cccc(Cn2ccnc2)c1)c1cc2c(s1)-c1ccccc1OC2 25175778 WOISDFOXXRDIRN-UHFFFAOYSA-N 387.464 4.805 0 40 GJAB CCc1sc(NC(=O)c2ccncc2)nc1-c1ccc(Br)cc1 27757258 MCFGJQSWZGHIDL-UHFFFAOYSA-N 388.290 4.782 0 40 GJAB Cc1cc(Br)cc(C)c1OCC(=O)Nc1nc2ccccc2s1 28284386 YAIPWOMBWFAGLV-UHFFFAOYSA-N 391.290 4.693 0 40 GJAB COc1ccc(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)cc1OC 29052685 OOTDNZCFRQEJLK-UHFFFAOYSA-N 396.390 4.893 0 40 GJAB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3cnn(-c4ccccc4)c3)ccc2c1 32778068 PAGNIVANADEGDU-GOSISDBHSA-N 399.494 4.796 0 40 GJAB Cc1cccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)c1 33012725 DVSPPFKSPAPQSS-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB CC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1 40128466 MBJWHBBGVCJENX-UHFFFAOYSA-N 390.487 4.827 0 40 GJAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)cc1Cl 44947541 VFOCVIDUPFBOPA-UHFFFAOYSA-N 378.708 4.609 0 40 GJAB Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)s1 47810792 URJJBNCNHPYTJK-HLLBOEOZSA-N 387.549 4.895 0 40 GJAB CCN(CC)Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)o1 49592395 XBWFWMGQDVFUBW-IBGZPJMESA-N 382.508 4.515 0 40 GJAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)o1 57658442 IGHXXJQSWJHTFC-AVRDEDQJSA-N 380.532 4.638 0 40 GJAB COc1cc(CNC(=O)c2ccc(F)cc2Cl)ccc1OC1CCCC1 58016082 JHSUDQVDSYIQNZ-UHFFFAOYSA-N 377.843 4.739 0 40 GJAB Cc1ccc([C@@H](O)CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 58415566 ZCHOCFYKUUWNAR-INIZCTEOSA-N 394.521 4.797 0 40 GJAB O=C(CCCc1cccs1)N1CCN(Cc2cccc3ccccc23)CC1 61072295 QHXPYNBNHRIIJA-UHFFFAOYSA-N 378.541 4.568 0 40 GJAB O=C(c1ccccc1)C1CCN(C(=O)NCc2cc3cc(F)ccc3s2)CC1 62653274 KJVFHPYUPPQMFO-UHFFFAOYSA-N 396.487 4.845 0 40 GJAB FC(F)Oc1c(Br)ccc(Br)c1Br 71257001 LCXJEDLZRIKJRZ-UHFFFAOYSA-N 380.808 4.576 0 40 GJAB CCOCCO[C@H](C)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 72280649 QGLGJXBAORWQEC-CQSZACIVSA-N 379.909 4.871 0 40 GJAB C[C@@](O)(CNC(=O)Cc1ccccc1Cl)c1ccc(-c2ccccc2)cc1 77184136 TYQBPHJBKDXVKQ-HSZRJFAPSA-N 379.887 4.573 0 40 GJAB O=C(NCc1ccc([C@H](O)c2ccsc2)s1)C12CC3CC(CC(C3)C1)C2 207965765 KYVVZRVUGSXUNJ-IPAUSASBSA-N 387.570 4.724 0 40 GJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2nc(N)sc2c1 216786807 RJTDAMWIELDVGE-UHFFFAOYSA-N 382.272 4.511 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219314064 QTMHWJFNSRQEOD-RBUKOAKNSA-N 383.488 4.580 0 40 GJAB C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 222742765 NOBPRSBCRONZND-LBPRGKRZSA-N 380.271 4.575 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 223063759 ULTHVANLLXUTDY-KRWDZBQOSA-N 397.500 4.627 0 40 GJAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc2c(c1)CCCC2 223138134 IXRSDLUBAOPPRW-HXUWFJFHSA-N 387.545 4.620 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223229999 VSGRJADCFOLGQF-KBPBESRZSA-N 388.305 4.583 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccccc2OC)c2ccccc2O1 223586952 DIFOLXVUEOPFCW-SJLPKXTDSA-N 383.488 4.661 0 40 GJAB CCOc1cccc(CNC(=S)Nc2ccc(Br)c(C)c2)c1 225439108 SQJVPNMDQJOUSI-UHFFFAOYSA-N 379.323 4.643 0 40 GJAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C(=O)N(C)C)cc2)C(C)C)c(C)c1 225766291 SUEZEQBVAYLXDB-FQEVSTJZSA-N 383.561 4.689 0 40 GJAB C[C@H](NC(=O)CCc1nc(-c2ccccc2Cl)no1)c1ccc(Cl)cc1 225812129 CSKWLRGXIWNAJU-LBPRGKRZSA-N 390.270 4.853 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)ccc1OC(C)C 225831923 JOUYKAVMNLNRHX-AOMKIAJQSA-N 391.508 4.574 0 40 GJAB CC(C)CC(=O)N1CCC[C@H]1c1ccc(C(=O)O)c(-c2ccc(Cl)cc2)n1 257328062 XDYMPTYFMURTOA-SFHVURJKSA-N 386.879 4.810 0 40 GJAB CCOC(=O)N[C@H](CC(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1 408978469 INVUJCPDZPCNHK-QGZVFWFLSA-N 395.484 4.626 0 40 GJAB COc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 409257676 RTIYAUDAFHFWAU-UHFFFAOYSA-N 376.456 4.633 0 40 GJAB C[C@H](Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(C(=O)N(C)C)cc1 574978266 KEEXJHXJQASQJL-KRWDZBQOSA-N 384.483 4.876 0 40 GJAB Cc1cc(C)cc(C2=CCN(C(=O)N[C@@H](C)c3ccc4nc(O)oc4c3)CC2)c1 1637358988 NTVLKYLVOIYCIN-INIZCTEOSA-N 391.471 4.710 0 40 GJAB COc1ccc(Cl)cc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 1775966428 DEBVTKTWJOKUKA-GOSISDBHSA-N 387.888 4.541 0 40 GJAB Cn1cncc1C1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)cc2)CC1 1775966574 MGISTQMPXUOGHN-UHFFFAOYSA-N 379.891 4.760 0 40 GJAB Nc1c(Br)cc2oc(-c3cccc(F)c3)nc2c1Br 1241924 FZCUWNQOCWCVLU-UHFFFAOYSA-N 386.018 4.741 0 40 GJAB Cc1c(C[C@@H](C)O)c(=O)oc2cc(OCc3ccc(Cl)cc3)c(Cl)cc12 1254458 IGHHXNCDJZQBDR-LLVKDONJSA-N 393.266 4.911 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 1329530 MBNYGYSQZOFYIB-OAHLLOKOSA-N 380.517 4.508 0 40 GJAB O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccccc1C(F)(F)F 1509638 IJWLYJGAZBLHKD-ZROIWOOFSA-N 396.162 4.812 0 40 GJAB COc1ccc(-c2c(NC(=O)C3CCCCC3)n(C)c3ccccc3c2=O)cc1 2219423 WPIIUHWUVDOWJE-UHFFFAOYSA-N 390.483 4.733 0 40 GJAB COC(=O)c1ccc(N[C@H](c2ccc(Cl)cc2)P(=O)(OC)OC)cc1 2293796 OAOLBXLLKDIQHR-INIZCTEOSA-N 383.768 4.723 0 40 GJAB Cc1ccc(C)c(CN2C(=O)[C@](O)(c3c[nH]c4ccccc34)c3ccccc32)c1 2337616 WCRQFMVHEJPFAS-RUZDIDTESA-N 382.463 4.567 0 40 GJAB CCCCc1nc2sc3c(NCCCOCC)ncnc3c2c2c1CCC2 2425883 COHXWWMKUNDFGS-UHFFFAOYSA-N 384.549 4.909 0 40 GJAB Cc1cc(OCc2nc3c4c5c(sc4ncn3n2)CCC5)cc(C)c1Cl 2786931 FBUHHOVUSXYSDL-UHFFFAOYSA-N 384.892 4.677 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)s2)c1 3222002 YFZRJQUUZHMQNQ-SQWLQELKSA-N 390.578 4.623 0 40 GJAB CCCCOC(=O)c1c(N)n(-c2cccc(C)c2C)c2nc3ccccc3nc12 3311137 LRFUPKFQZAGQBW-UHFFFAOYSA-N 388.471 4.730 0 40 GJAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)c1cccc(Br)c1 3344741 GRVPKATVALFVQQ-UHFFFAOYSA-N 387.151 4.508 0 40 GJAB CCc1cccc(CC)c1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 3358273 ZLVLMOFCHZIXJN-UHFFFAOYSA-N 392.499 4.797 0 40 GJAB CCCCSc1nnc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 3883006 KQQHWJMCDRVZCB-OAHLLOKOSA-N 377.510 4.770 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1cccc(Cl)c1 4305491 GTECVFLOMVSTSH-LJQANCHMSA-N 382.916 4.935 0 40 GJAB CC[C@H](C)CCCNc1nnc(SCC(=O)N2CCCC[C@@H]2CC)s1 5505551 UKAYVNTYGPXJLH-GJZGRUSLSA-N 384.615 4.660 0 40 GJAB Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccc(C(C)C)cc1 5792488 MEWDQCJFDVNYIZ-XDNAFOTISA-N 396.512 4.703 0 40 GJAB C[C@H](Sc1ccc2ccccc2c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 7025828 ZHXDLTDAIGNCIJ-AWEZNQCLSA-N 385.510 4.575 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 7483616 NZOGPHZVUKSYRT-UHFFFAOYSA-N 390.936 4.598 0 40 GJAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 7848230 OUUPTKUTLWAFBO-LBPRGKRZSA-N 392.286 4.559 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCN1C(=O)COc2ccccc21 8060594 PUXRAARMVYCTJU-UHFFFAOYSA-N 380.488 4.688 0 40 GJAB CCc1cccc(CC)c1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 8434219 GWNORXBMAMQDLW-UHFFFAOYSA-N 398.462 4.864 0 40 GJAB COc1ccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)cc1 8854067 WEAFCSQYEGSABL-UHFFFAOYSA-N 388.489 4.764 0 40 GJAB Cc1cccc(CN2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1 9063022 VTQKZONEGMCTMJ-UHFFFAOYSA-N 390.571 4.688 0 40 GJAB Oc1c(Br)cc(Br)cc1-c1cc(C(F)(F)F)no1 12428294 UPPPIWMLZRPTQQ-UHFFFAOYSA-N 386.949 4.591 0 40 GJAB S=c1[nH]c(-c2cc(Cl)ccc2Cl)nn1CN1CCc2sccc2C1 12773312 GREXEEBYIKWJPE-UHFFFAOYSA-N 397.356 4.992 0 40 GJAB C[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1cc(F)c(Cl)cc1Cl 13038727 CLAPQDXKOALYEU-QMMMGPOBSA-N 377.193 4.700 0 40 GJAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(C)n2C2CC2)c1 14185120 OGRAAGGYQZDPDZ-UHFFFAOYSA-N 392.528 4.555 0 40 GJAB CN(Cc1ccccc1NCC(=O)Nc1ccc(F)cc1F)C1CCCCC1 15345954 UKIJOBKELCEMSJ-UHFFFAOYSA-N 387.474 4.780 0 40 GJAB COc1ccc(CN(C)C(=S)Nc2cccc(C(F)(F)F)c2)c(OC)c1 16316473 NXZOSGJLEZKGQU-UHFFFAOYSA-N 384.423 4.551 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1c(F)cccc1F 17178181 XBHDRUWWRIXVQX-UHFFFAOYSA-N 392.405 4.810 0 40 GJAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(Cl)cc1)CO3 19890915 WQSYBHYGVJNMSJ-UHFFFAOYSA-N 383.875 4.712 0 40 GJAB biogenic Cc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Br)c(C)c1 20048170 SCVRTAOOZDAVIZ-CYBMUJFWSA-N 396.712 4.976 0 40 GJAB CCCCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 20141795 QFEIBJJYTOLISJ-UHFFFAOYSA-N 395.455 4.879 0 40 GJAB O=C(c1ccc2nc(C(F)(F)F)sc2c1)N1CCO[C@@H](c2ccccc2)C1 20745064 QPTNFHGLIIYXFD-OAHLLOKOSA-N 392.402 4.529 0 40 GJAB COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)c2nc(C(C)(C)C)no2)n1 24045753 ADTYHPPQBQZLSZ-SECBINFHSA-N 393.900 4.668 0 40 GJAB O=C(NCCc1cccs1)c1ccccc1-c1ccc(Cn2ccnc2)cc1 24775198 NWQWXHDYNNSASQ-UHFFFAOYSA-N 387.508 4.632 0 40 GJAB CCc1ccc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1 27921219 UYLDJBYYQSHPLG-UHFFFAOYSA-N 384.277 4.509 0 40 GJAB CCOc1ccc(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)cc1OC 27994097 AOHZQYBNWBUBNR-UHFFFAOYSA-N 389.864 4.518 0 40 GJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)cc1Cl 29471250 YJRUSVQEOSTCFX-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1cc2c(cc1Cl)OCO2 32858196 XPSRVDZKJSHPGC-UHFFFAOYSA-N 394.814 4.721 0 40 GJAB COc1cc(/C=C/C(=O)O)c(Br)cc1OCc1ccc(Cl)cc1 33655656 JLKCQXMDVXBXDX-QPJJXVBHSA-N 397.652 4.788 0 40 GJAB CCCOc1ccccc1CCCNC(=O)c1ccc(CN2CCCCC2)cc1 44851633 LDWAEYGYYWFZAQ-UHFFFAOYSA-N 394.559 4.824 0 40 GJAB Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(F)cc1C(F)(F)F 48274835 VHAAXDMVTYIQIU-UHFFFAOYSA-N 384.354 4.799 0 40 GJAB O=C(c1c(F)cccc1F)N1CCN(C2(c3ccccc3)CCCCC2)CC1 55246789 ICXUCTRMKNLCLP-UHFFFAOYSA-N 384.470 4.582 0 40 GJAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(c2ccccc2)CC1 57406072 UYAAQRNRRXNPCJ-FQEVSTJZSA-N 385.511 4.503 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)c1 67290151 KVEBNMPWSIFGHS-UHFFFAOYSA-N 394.525 4.805 0 40 GJAB O=C(c1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72358466 MDFPMAGPWUUKBT-GOSISDBHSA-N 377.875 4.817 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2nnc(Nc3cccc(C)c3)s2)cc1 89672883 CAFAEKMVIPUJBG-UHFFFAOYSA-N 398.513 4.524 0 40 GJAB COc1cccc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c1OC(C)C 96759090 XKXBNSKMQGEEAO-PTNGSMBKSA-N 396.874 4.790 0 40 GJAB CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(O)CC(C)(C)CC1=N2 102658810 AVOWCVRGALGTEL-KRWDZBQOSA-N 384.505 4.706 0 40 GJAB O=C(c1ccccc1Br)N1CCS[C@H](c2cccs2)CC1 219479469 BZUMBYNRPFGTHY-HNNXBMFYSA-N 382.348 4.831 0 40 GJAB CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC)o2)cc1 222802781 GLUXHQYGWFKGGK-NHCUHLMSSA-N 393.512 4.733 0 40 GJAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC(C)C 222929713 CMEYHEPTWPLFLJ-FCHUYYIVSA-N 390.556 4.809 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223347871 ASHXKULNLUCWHI-LJQANCHMSA-N 395.543 4.871 0 40 GJAB CCc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC 223683338 XAHXSJYJWNSAME-UHFFFAOYSA-N 393.814 4.731 0 40 GJAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)COc1ccc(Cl)cc1 224340509 RLOWVYNRUPMWIL-UHFFFAOYSA-N 383.835 4.557 0 40 GJAB Cc1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(N)cc2)cc1 225312320 LIMZIWKQQFIJIX-UHFFFAOYSA-N 386.904 4.626 0 40 GJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCC 225341059 BRIBHYCXBQGJCB-QHCPKHFHSA-N 394.559 4.651 0 40 GJAB CO[C@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 253473659 WYLUOCVOUTUSMY-LJQANCHMSA-N 391.389 4.888 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1O[C@@H](C)CC 409086163 GAWINOXCYLNDIQ-KBVGCWLLSA-N 383.897 4.972 0 40 GJAB CC(C)Oc1ccc(-c2ccc(NC(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)c(F)c2)cc1 626572054 SROCSULZRSGIGR-KNXBSLHKSA-N 398.478 4.657 0 40 GJAB Cc1ccc(CNC(=O)c2sc3nc4cc(C)c(C)cc4cc3c2N)cc1 915373 KCYCRTGOYQKLNW-UHFFFAOYSA-N 375.497 4.887 0 40 GJAB CC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1 948485 UHWGIPDXIAFSRY-UHFFFAOYSA-N 392.505 4.795 0 40 GJAB C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)ccc1Br 1017160 BNOBQQUDCIVBRE-NOZJJQNGSA-N 375.104 4.520 0 40 GJAB Cn1c(SCc2ccc(C(F)(F)F)cc2)nc2c([nH]c3ccccc32)c1=O 2720599 PNPHXSYVFDFTGX-UHFFFAOYSA-N 389.402 4.726 0 40 GJAB Cc1ccc(COc2ccccc2/C=C2\N=C(c3cccs3)OC2=O)cc1 2742468 AVWNCQSZQWSPPY-AQTBWJFISA-N 375.449 4.980 0 40 GJAB CCN1CCN(c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)CC1 2886715 JPUIGBUHDYGMAU-UHFFFAOYSA-N 387.314 4.746 0 40 GJAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1cc2ccccc2oc1=O 2961499 KOQDSRAIWPDDEK-UHFFFAOYSA-N 399.431 4.717 0 40 GJAB CCCCOc1ccccc1/C=C/[C@@]12NC(=O)CN1c1ccccc1C2(C)C 3999980 CHWCCVSKHCMVIW-DKUDOZJNSA-N 376.500 4.503 0 40 GJAB biogenic CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)c1 4703875 ZYVLMLBIWFROGX-UHFFFAOYSA-N 397.544 4.593 0 40 GJAB O=C1C[C@H](c2ccccc2)CC2=NNC(c3ccc(Br)cc3)=C[C@@H]12 5279717 AFCNKNFHNUDTKV-NVXWUHKLSA-N 381.273 4.512 0 40 GJAB Cc1ccc(Cn2c([C@H](C)NC(=O)Cc3ccccc3)nc3ccccc32)cc1 5452203 RFQFYZJYXOIUOE-IBGZPJMESA-N 383.495 4.813 0 40 GJAB CCOc1ccccc1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 7318881 LBLUKOOVYHZWPI-UHFFFAOYSA-N 387.439 4.564 0 40 GJAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCC[C@@H]3c3cccs3)c2C)no1 7735425 CLYNJFJBQMMKSO-GFOMBABLSA-N 381.501 4.829 0 40 GJAB Cc1cc(C)c(NC(=O)c2ccc(I)cc2)c(Cl)c1 7814023 MMNANVULNNQOEH-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccccc1OC(F)F 7814446 XIWISNNGSAJEEG-UHFFFAOYSA-N 377.778 4.688 0 40 GJAB C[C@H]1CCc2ccccc2N1Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 7988692 GPIUIJAZYMLEGC-ZDUSSCGKSA-N 398.919 4.785 0 40 GJAB COc1ccc(OCCN(C)C(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 8039247 HLVTUSOQKOGHBW-UHFFFAOYSA-N 385.460 4.714 0 40 GJAB O=C(OCc1nc2ccccc2o1)c1ccccc1OCCOc1ccccc1 8278212 KZPXESGLDNUBHK-UHFFFAOYSA-N 389.407 4.643 0 40 GJAB Cc1nc(-c2cccc(NCc3nc4cc(Cl)ccc4c(=O)[nH]3)c2)cs1 8425043 HAGFEWLGSBWOPZ-UHFFFAOYSA-N 382.876 4.621 0 40 GJAB Cc1nc2sc3c(=O)n(Cc4ccccc4Cl)cnc3c2c2c1CCCC2 9423040 MNNXREYAGIMDKZ-UHFFFAOYSA-N 395.915 4.895 0 40 GJAB Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3F)c3ccccc32)cc1 9668561 SWHOLOSFIZZPRV-UHFFFAOYSA-N 386.426 4.959 0 40 GJAB COc1ccc([C@H](NC(=O)NCc2ccc(OC(F)(F)F)cc2)C2CC2)cc1 9951309 IEEFVRYBRMHRIY-GOSISDBHSA-N 394.393 4.544 0 40 GJAB Cc1cc(=O)n2c(-c3ccc(NC(=O)Nc4ccc(F)cc4)cc3)csc2n1 11770846 LEZACRVJCXZJGO-UHFFFAOYSA-N 394.431 4.515 0 40 GJAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3cccnc3)on2)cc1 12120245 NXLNDCGDNLECLI-HXUWFJFHSA-N 377.444 4.503 0 40 GJAB COc1ccc([C@@H]2CN(CC[C@@H](C)c3ccccc3)C[C@H]2c2cc[nH]n2)cc1 12128602 OHVZUWNNJBJBAY-YFXJRYMSSA-N 375.516 4.795 0 40 GJAB COc1ccc(Nc2ccccc2NC(=O)c2cc(OC)cc(OC)c2)cc1 12533520 YXZVXDGEZABJPH-UHFFFAOYSA-N 378.428 4.708 0 40 GJAB CC(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12785565 UWOZIIAHMSJICH-SFHVURJKSA-N 375.394 4.833 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)COc3ccc(C(C)(C)C)cc3)o2)cs1 12904720 SMDWVPYDVYQJJP-UHFFFAOYSA-N 384.501 4.704 0 40 GJAB CCn1c(-c2ccccc2)nn(CN(C)Cc2nc3ccccc3s2)c1=S 12990360 TZXPXFGMHFFYDC-UHFFFAOYSA-N 395.557 4.800 0 40 GJAB CC(C)Cc1cc(-c2nnc3sc(Cc4cccc5ccccc45)nn23)n[nH]1 13719232 RANAPWAKKMRPAA-UHFFFAOYSA-N 388.500 4.518 0 40 GJAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 14095517 HGIPGZUEZNSJFH-HNNXBMFYSA-N 399.897 4.993 0 40 GJAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1cccnc1)CC(O)=N2 15107627 MABILELETHAOHT-HNNXBMFYSA-N 381.432 4.967 0 40 GJAB CC(C)(C)c1ccc(O)c(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 17360842 AAECAFWMHXIWDH-UHFFFAOYSA-N 391.393 4.697 0 40 GJAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4)cc3n2)cc1Cl 20610701 LAOHXMRDKBNVNJ-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB CCc1n[nH]c(SCc2ccc(NC(=O)c3cc4ccccc4o3)cc2)n1 20611431 JNGXRNVIPJMDAT-UHFFFAOYSA-N 378.457 4.658 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1c(F)c(F)c(F)c(F)c1F 21577853 IYUYFZZISXRMGS-UHFFFAOYSA-N 388.311 4.764 0 40 GJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC 25726931 JLJGPZLYQPXZTQ-UHFFFAOYSA-N 397.906 4.755 0 40 GJAB O=C(NCc1ccc(F)cc1)c1ccccc1SCc1cn2ccccc2n1 28276785 ZLZVFFIILJDUKJ-UHFFFAOYSA-N 391.471 4.696 0 40 GJAB COc1ccc([C@@H]2CCCN2C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)cc1 32768873 WOFJVSWVXNJSSG-AQKFKSFVSA-N 389.923 4.624 0 40 GJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1nnc(C2CC2)s1 40103199 JHIBDWAVCJEOON-UHFFFAOYSA-N 388.880 4.993 0 40 GJAB COc1cccc(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 40142980 RUOWLIQWNZCFSZ-UHFFFAOYSA-N 379.641 4.845 0 40 GJAB Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCSc4ccc(F)cc43)cs2)o1 46175433 MFDSJZWRFYYZIL-OAHLLOKOSA-N 388.489 4.746 0 40 GJAB Cc1ccc2cc(C(=O)NCc3ccc(N4CCCCCC4)nc3)c(C)nc2c1 48290844 LEHNLHDFMVSBJM-UHFFFAOYSA-N 388.515 4.557 0 40 GJAB C[C@@H](OC(=O)c1cc(Cl)c2c(c1)OCO2)c1nc2ccccc2n1C(F)F 65511867 BPHLYKJATWHTGM-SECBINFHSA-N 394.761 4.732 0 40 GJAB Cc1c(C(=O)Nc2ccc3nc(C(C)C)sc3c2)cnn1-c1ccccn1 66284174 ATRHZOINIYVEFZ-UHFFFAOYSA-N 377.473 4.561 0 40 GJAB CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 69446312 INPGPZKXLXYTPJ-MOPGFXCFSA-N 398.572 4.883 0 40 GJAB CC[C@H](C)Sc1ccc(NC(=O)NC[C@@H](C)CC2(C)OCCO2)c(C)c1 75094216 RLIJYDRBTPGSJC-HOCLYGCPSA-N 380.554 4.796 0 40 GJAB COC(=O)NCCC(=O)N(c1ccc(C(C)C)cc1)c1nc2ccccc2s1 78658107 CHFLEGYGCGBGRD-UHFFFAOYSA-N 397.500 4.831 0 40 GJAB CN(C)C(=O)[C@H](Nc1nc(-c2cccs2)nc2ccccc12)c1ccccc1 83843953 KEWXCHNFYDHJNV-LJQANCHMSA-N 388.496 4.600 0 40 GJAB O=C(Nc1cccc(F)c1)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1 96038089 DHSBDZQJSAAKFR-UHFFFAOYSA-N 397.413 4.578 0 40 GJAB COc1cccc(-n2/c(=N\Cc3ccccc3)sc3nc4ccccc4nc32)c1 100410325 SGJASHFQQSOEIW-WCWDXBQESA-N 398.491 4.745 0 40 GJAB COc1ccccc1NC(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(C)cc1 100425052 MDHWXNFRWPVUTA-NHCUHLMSSA-N 393.531 4.711 0 40 GJAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 216287056 GCXAHFCXDSFGBF-MBSDFSHPSA-N 375.468 4.677 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCS[C@H](c2ccccc2C)CC1 219276040 VXRSGYAJKFOJGG-IBGZPJMESA-N 375.921 4.977 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219314033 QTMHWJFNSRQEOD-MOPGFXCFSA-N 383.488 4.580 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(OC)cc1 222930065 SGIYSSPKTGSAIB-QFIPXVFZSA-N 383.532 4.899 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1 223746420 PCLBSKYDSUUZQB-MOPGFXCFSA-N 381.526 4.637 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COC(C)C 224425879 JCSORQDRXNAVKQ-UHFFFAOYSA-N 396.256 4.774 0 40 GJAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccccc1CCc1ccccc1 224618632 ISGLUPSMAIUCHD-UHFFFAOYSA-N 398.550 4.998 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1CN1CCCC1 224778824 FYBOSHWKQYSILH-IBGZPJMESA-N 394.559 4.664 0 40 GJAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C(=O)OCC 225840651 OWYFGLAGAPXHHH-QFIPXVFZSA-N 393.524 4.822 0 40 GJAB OCc1ccccc1CN(Cc1ccccc1)Cc1cnn(-c2ccccc2)c1 257232925 GMZHHKQHTRERKI-UHFFFAOYSA-N 383.495 4.567 0 40 GJAB COc1cccc(NC(=O)c2cc3ccccc3c(Br)c2OC)c1 408620511 GTSHMPHHOLVXCL-UHFFFAOYSA-N 386.245 4.872 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)CC1 408710238 UFHLKZBXLNYLMK-UHFFFAOYSA-N 378.601 4.819 0 40 GJAB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)NC1=S 409086955 XOHRBSYCKZGGJO-ZROIWOOFSA-N 381.284 4.721 0 40 GJAB COC(=O)/C(=C/c1ccc(-c2ccccc2)cc1)NC(=O)OCc1ccccc1 514277791 HUXPBKLSVQKXIV-JWGURIENSA-N 387.435 4.794 0 40 GJAB Cc1nn(CCNC(=O)C2(c3cccs3)CCCC2)c(C)c1-c1cccs1 575612409 DKZOSMMYMTYPCA-UHFFFAOYSA-N 399.585 4.918 0 40 GJAB C[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)[C@@H]1CCOC1 607847761 IPZFBJONDVTWTJ-GOEBONIOSA-N 398.453 4.587 0 40 GJAB CC(C)(C)OC(=O)N(CCc1c[nH]c2ccc(O)cc12)C(=O)OC(C)(C)C 1569983386 AIHKFGVUKQNVSR-UHFFFAOYSA-N 376.453 4.588 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCCCC2 997902 HXHNIYWMQMEIRH-UHFFFAOYSA-N 375.465 4.975 0 40 GJAB O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)NC1CCCCC1 1106312 ZAQUAOCTQWVVTD-UHFFFAOYSA-N 381.545 4.563 0 40 GJAB CC(=O)Nc1ccc(C(=O)CSc2nc(C(C)C)nc3ccccc23)cc1 1343014 GFEKRQLVZQAIFG-UHFFFAOYSA-N 379.485 4.687 0 40 GJAB Cc1cccc(NC(=O)c2c(N)n(-c3ccccc3)c3nc4ccccc4nc23)c1 2295111 VRNYYWUJODINIM-UHFFFAOYSA-N 393.450 4.717 0 40 GJAB CCCCSc1nc(NC[C@H](C)O)c2c3c(sc2n1)CO[C@](C)(CC)C3 2423493 CYQUGIJRQGOHNL-HXPMCKFVSA-N 395.594 4.618 0 40 GJAB Cc1cc(SCC(=O)Nc2nc(-c3ccccc3)ns2)nc2ccccc12 2696222 HPVYWINTWDGZLK-UHFFFAOYSA-N 392.509 4.793 0 40 GJAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)/C=C/c1ccc(Cl)cc1 3330811 KYWWYABQIGIFLT-SDNWHVSQSA-N 378.859 4.604 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cc(C)oc1C)c1ccccc1 3530166 PMNVYXQILXESCW-NRFANRHFSA-N 393.439 4.750 0 40 GJAB O=S(=O)(NCc1csc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 4166828 ZTAUJEFOCXSJLI-UHFFFAOYSA-N 399.324 4.595 0 40 GJAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(c1ccc(F)cc1)C3 5157664 YAUQBAVGRCFSGF-UHFFFAOYSA-N 385.822 4.821 0 40 GJAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)c(OC)c1 5253053 FAACTDGNFHHGQS-JRFVFWCSSA-N 399.506 4.711 0 40 GJAB CCOc1ccccc1OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 5316769 GLUGKIGRUHKBRE-UHFFFAOYSA-N 375.424 4.599 0 40 GJAB CCN(CC)c1ccc(C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 6318399 HRDZBROZDQSHGP-DUXKGJEZSA-N 389.536 4.694 0 40 GJAB CCCCc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 6566468 KJGAOFKUIPMQGC-UHFFFAOYSA-N 381.589 4.980 0 40 GJAB COc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 6647255 PNFUAFDXGGROGP-UHFFFAOYSA-N 385.588 4.761 0 40 GJAB CN(C)C(=O)[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)c1ccccc1 6843101 RIKAFBWFRUUSHO-HNNXBMFYSA-N 387.555 4.585 0 40 GJAB Cc1ccc(C(=O)CSc2nnc([C@H](C)Oc3ccccc3F)o2)c(C)c1 7137556 NYWPFOKEFWHSFP-AWEZNQCLSA-N 386.448 4.941 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2C)c2ccccc2)c1 8036506 KBDVJYDTRMBBKM-IBGZPJMESA-N 392.528 4.781 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-n3cccn3)cc2)cc1 8074437 MFXLCZXZDGKAHR-JOCHJYFZSA-N 375.472 4.638 0 40 GJAB Cc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c(C)c1 8097410 UANHVXDJCWDJJT-UHFFFAOYSA-N 396.494 4.823 0 40 GJAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCCO3)cc1 8164872 GMDOQTXLFZVGNI-HSZRJFAPSA-N 386.451 4.533 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8478239 WTVATCQVAMYZKP-LJQANCHMSA-N 388.895 4.666 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 9603150 BTJIAQIHOLSLTF-UHFFFAOYSA-N 381.259 4.616 0 40 GJAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccccc1Cc1ccccc1 9861748 RWMQLWNRLZDFSM-UHFFFAOYSA-N 389.480 4.960 0 40 GJAB CCc1cccc(CC)c1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11469912 VUCYQKCDWJFESY-UHFFFAOYSA-N 377.463 4.877 0 40 GJAB COc1cccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)c1 12196869 BHLDUPXQVPUYBV-CVDCTZTESA-N 390.439 4.848 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1ccccc1)c1ccccn1 12558245 VEBMZWLORLPFHA-HSZRJFAPSA-N 397.478 4.579 0 40 GJAB C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)Cc1ccccc1N1CCCC1 12650990 DHSAIHYCAOTDIO-LJQANCHMSA-N 387.527 4.899 0 40 GJAB CC(C)Cc1cc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)n[nH]1 13691107 GGBKFJZLJDGYLE-UHFFFAOYSA-N 393.303 4.748 0 40 GJAB COCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 13722245 DROQWDFBLTVKKW-UHFFFAOYSA-N 384.303 4.707 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc(-c3cccc(Cl)c3)no2)c1 16352217 LHPSNPCQTITLFZ-GOSISDBHSA-N 399.878 4.744 0 40 GJAB CCOCc1c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)oc2ccccc12 18047826 ZARZXPJHXJYETD-INIZCTEOSA-N 389.455 4.646 0 40 GJAB Cc1ccc(C2(C(=O)N3CCC[C@H]3c3ccnc4cc(C)nn34)CCCC2)cc1 19208483 MAZURZCGHMIKGE-FQEVSTJZSA-N 388.515 4.522 0 40 GJAB O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(-c2cn3ccsc3n2)c1 19717784 DDQXNLNMPJYLBM-UHFFFAOYSA-N 387.468 4.510 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCc2ccccc21 20482195 IZYOHKYHBKFNID-FQEVSTJZSA-N 388.964 4.780 0 40 GJAB COc1cc(OC)c(C2=CCN(C(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)CC2)c(OC)c1 22186237 FYPXXRAFUKYFSJ-PGRDOPGGSA-N 399.531 4.567 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)cc1C 27993874 QTNAQJQWFKSBSO-QGZVFWFLSA-N 380.513 4.553 0 40 GJAB COc1ccc(-c2nc(CCNC(=O)c3oc4ccccc4c3C)cs2)cc1 27994560 FZAWEKXJOZXXCD-UHFFFAOYSA-N 392.480 4.846 0 40 GJAB O=C(c1ccc(F)cc1)c1ccc(OCc2noc(-c3ccc(F)cc3)n2)cc1 31682181 FQLUPGWMNZRBIS-UHFFFAOYSA-N 392.361 4.825 0 40 GJAB CCn1nc(C)c(NC(=O)c2cc3occc3n2Cc2ccccc2F)c1C 36358199 QKTCMOLPZKQHRH-UHFFFAOYSA-N 380.423 4.507 0 40 GJAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1Cl 41091592 CZXFSPAPBJYSJK-UHFFFAOYSA-N 389.908 4.514 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875322 UZROWMDZQHYKIT-DEOSSOPVSA-N 394.559 4.763 0 40 GJAB CCOC(=O)C[C@H](NC(=O)c1cc2cc(Cl)ccc2nc1C)c1ccccc1 58139007 ODCDIWMIWPZFCC-FQEVSTJZSA-N 396.874 4.621 0 40 GJAB Cc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1C 67293211 SLPOSXQODLSXJU-BZZOAKBMSA-N 385.423 4.635 0 40 GJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)NC(=O)CS2 69757840 DNZPGPWTIBHJRK-MJGOQNOKSA-N 395.528 4.921 0 40 GJAB Cc1cc(C(=O)NCc2ccc(F)cc2C(F)(F)F)c(C)n1-c1cccnc1 72009661 VNAFPMZOSZFKKH-UHFFFAOYSA-N 391.368 4.577 0 40 GJAB O=C1N=C(Nc2ccc(F)c(F)c2)/C(=C/c2cc3ccccc3[nH]c2=O)S1 72400909 FNYKHFPHMNTXSQ-PXNMLYILSA-N 383.379 4.525 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccccc3C)c2c1 95451805 QYRCVUMKDYIQHT-UHFFFAOYSA-N 384.439 4.684 0 40 GJAB Cc1ccccc1NC(=O)[C@@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 96037494 PKCGJLBYWLIODQ-QHCPKHFHSA-N 388.515 4.511 0 40 GJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)n1 100738843 NTCKDNGGBPXUDG-HLAWJBBLSA-N 390.531 4.593 0 40 GJAB O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1ccccc1Br 214976698 GAJICCLKPXZWMB-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(F)cc3)N21 222706819 BEVXHTJTOFBBND-ORYQWCPZSA-N 392.503 4.991 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2F)c(C)c1 224902445 DUFVTIUIIIKXNI-UHFFFAOYSA-N 395.883 4.836 0 40 GJAB COc1ccc(CNC(=O)Nc2cc3nc(-c4ccccc4)oc3nc2C)cc1 225626636 NXKAFUWTYBJVRP-UHFFFAOYSA-N 388.427 4.529 0 40 GJAB CCOC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225675081 IZWHWHGPYROXEL-GOSISDBHSA-N 398.528 4.761 0 40 GJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccccc2)s1 225697820 WRPRWKIWIKLZIO-AWEZNQCLSA-N 375.453 4.764 0 40 GJAB CC[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(OC)c(C)c1 225740121 VZLUFIBEXQDQET-QFIPXVFZSA-N 398.522 4.622 0 40 GJAB CC(C)N(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2nc(Cl)sc2c1 225980863 YEBHSPZBSCIZAP-UHFFFAOYSA-N 384.892 4.877 0 40 GJAB O=C(N[C@@]1(C(=O)O)C[C@@H]1c1ccccc1)OCC1c2ccccc2-c2ccccc21 253189872 ZUHVSHCCMGDQNS-RDGATRHJSA-N 399.446 4.536 0 40 GJAB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OC 408557994 RIQJNJXTGUZTMP-KRWDZBQOSA-N 384.284 4.789 0 40 GJAB CC(C)C(=O)NC(=S)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c(O)c1 408623830 SHBBMPABKXWGDT-UHFFFAOYSA-N 397.500 4.793 0 40 GJAB Cn1c([C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)nc2ccccc21 530772067 PZJCTTPEYXYWQK-OAHLLOKOSA-N 380.801 4.982 0 40 GJAB O=C(CCc1nc2ccccc2s1)Nc1ccc(N2CCCCC2)c(F)c1 1596239422 YKEXBOKJPZBAST-UHFFFAOYSA-N 383.492 4.997 0 40 GJAB CCc1cc2c(N[C@H]3COc4cc(F)c(Br)cc43)ncnc2s1 1642618892 KMAPDFLDTIHIEA-ZDUSSCGKSA-N 394.269 4.701 0 40 GJAB O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)c1ccc(F)cc1 899737 KSQZPBMYTWVAOJ-UHFFFAOYSA-N 394.427 4.916 0 40 GJAB O=C(CCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 978190 NGCCQZCGOHMERK-UHFFFAOYSA-N 384.479 4.851 0 40 GJAB O=C(CCCc1ccc(Cl)cc1Cl)Nc1nnc(C(F)(F)F)s1 1098005 WSUMZZZQBHOBQN-UHFFFAOYSA-N 384.210 4.825 0 40 GJAB Cc1[nH]c2ccc(-c3nnc(SCC(=O)N(C(C)C)C(C)C)o3)cc2c1C 1223293 DIBWYBOLVXNTDA-UHFFFAOYSA-N 386.521 4.572 0 40 GJAB COc1ccccc1CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc(Cl)c1)C2 1377909 UMDZBEWZACIENJ-NHCUHLMSSA-N 398.934 4.664 0 40 GJAB CCc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccco3)CC4=O)nc(C)c2c1 2372930 XPHPJHWJOCGFDG-OAHLLOKOSA-N 399.454 4.540 0 40 GJAB O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(Br)c(F)c1 2514516 SFKNJLKYJCBQCP-UHFFFAOYSA-N 376.269 4.805 0 40 GJAB CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 3084901 IQCGCDGTIFUZAH-SFHVURJKSA-N 380.488 4.556 0 40 GJAB Cc1ccc(Nc2nc(CSc3nc4nc(C)cc(C)n4n3)cs2)cc1 3355416 IVWSPYTYKCFCKU-UHFFFAOYSA-N 382.518 4.542 0 40 GJAB COc1ccccc1/C=C/C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3362454 WPQJFHDUQBYIGP-OUKQBFOZSA-N 384.431 4.706 0 40 GJAB O=C(Cc1ccsc1)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 3419475 XVZOWXYRLCDJGI-OAQYLSRUSA-N 384.428 4.781 0 40 GJAB CCc1ccc(Nc2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)s2)cc1 3461594 HFBJWDVSBOFMJM-KBPBESRZSA-N 390.578 4.726 0 40 GJAB CCCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4816647 ROJUQYRBGAWEOD-OALUTQOASA-N 380.879 4.799 0 40 GJAB Cc1cccc(C(=O)NCc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 5459035 ZDTFWQIIHZOUOR-UHFFFAOYSA-N 389.886 4.976 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc2c(c1)CCCC2 5537393 BWRIAQWGOXAPCA-UHFFFAOYSA-N 375.424 4.569 0 40 GJAB CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O 5552305 XUESEZCUYVRVBM-NTEUORMPSA-N 378.247 4.765 0 40 GJAB CCN(C(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1ccc(F)cc1 6539646 NMLOLGFPPXUPMY-UHFFFAOYSA-N 391.855 4.674 0 40 GJAB CCC[C@@H](C)NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 6560178 ULEILAVYRAIYMO-SNVBAGLBSA-N 387.983 4.714 0 40 GJAB CCSc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCCC4 6631622 PWQAKJTWSVGNPL-UHFFFAOYSA-N 388.562 4.602 0 40 GJAB COc1ccc([C@@H](CNC[C@H](O)c2ccccc2)c2c[nH]c3ccccc23)cc1 6786512 SSWOZXOGJWKESZ-RDGATRHJSA-N 386.495 4.632 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccc(F)c1)c1ccccc1 6838064 AAIXLMUZPGLABN-NRFANRHFSA-N 393.414 4.680 0 40 GJAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1cccnc1Cl 6909452 IBYFCXWYRZBOFU-UHFFFAOYSA-N 394.887 4.805 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2ccc(SC(F)(F)F)cc2)c(C)c1 7144866 KRJRGTOGNKTGGX-UHFFFAOYSA-N 383.391 4.711 0 40 GJAB CCCCNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 7261626 DMXNSJGDZXUYEO-UHFFFAOYSA-N 378.310 4.926 0 40 GJAB COc1ccccc1CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 7305384 CKJKONDLTBZYOO-UHFFFAOYSA-N 399.446 4.707 0 40 GJAB O=C(CN(Cc1ccco1)Cc1cccs1)N[C@@H]1CCCc2ccccc21 7580649 JXMSTEUXFIBYGS-OAQYLSRUSA-N 380.513 4.537 0 40 GJAB CCCCOC(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 7995661 FQWBLVJKBZCMIB-UHFFFAOYSA-N 394.496 4.948 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(Br)c1 8007213 BVYJDOBJWCBXET-UHFFFAOYSA-N 379.304 4.815 0 40 GJAB CC(C)n1ncc2c(C(=O)N[C@@H]3CCSc4ccccc43)cc(C3CC3)nc21 8039499 GEIQXLNEBNAEQN-GOSISDBHSA-N 392.528 4.857 0 40 GJAB CCSc1ccc(CC(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1 10252535 ZKNPLSBEAOJOGZ-UHFFFAOYSA-N 388.514 4.607 0 40 GJAB Cc1nc2scc(-c3cccc(NC(=O)Nc4ccccc4)c3)n2c(=O)c1C 11773397 DXWBFWVFLHOCMZ-UHFFFAOYSA-N 390.468 4.684 0 40 GJAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccccc2F)n1 11865899 URHQLOPTLAJFLZ-CQSZACIVSA-N 393.487 4.720 0 40 GJAB COc1cc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(C)n1 12225739 HCTNJBROAPASRQ-UHFFFAOYSA-N 383.839 4.835 0 40 GJAB CN(Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21)C1CCCCC1 12552902 FSIWMJQTIAEWJL-HXUWFJFHSA-N 391.515 4.516 0 40 GJAB CCOc1ccccc1NC(=O)c1cc(COc2ccc(OC)cc2)oc1C 12752748 KJENMDQBQVWCQS-UHFFFAOYSA-N 381.428 4.827 0 40 GJAB CC(C)c1ccc([C@@H](NC(=O)C2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1 12764821 OHHPLHUJOHOWCA-QFIPXVFZSA-N 396.531 4.769 0 40 GJAB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)c1 12813933 MFCFIWXVAGWKRL-INIZCTEOSA-N 386.300 4.528 0 40 GJAB Cc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)cc2)cc1 15413374 WEHWAIQATNBQCL-XMMPIXPASA-N 384.479 4.733 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 16575632 HROZXLIQBZYXCX-UHFFFAOYSA-N 390.418 4.599 0 40 GJAB COc1cc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)ccc1OC1CCCC1 19120546 PWFBNFYLGGFCDZ-GHTZIAJQSA-N 384.520 4.814 0 40 GJAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)c3nc4ccccc4s3)c12 26968341 DXESATJHPRHAQG-UHFFFAOYSA-N 390.424 4.678 0 40 GJAB COc1ccc(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)cc1C 27794393 OYQFSKWTKXGBFB-UHFFFAOYSA-N 399.450 4.824 0 40 GJAB COC(=O)c1c(NC(=O)c2csc(-c3ccsc3)n2)sc(C)c1C 29476303 AMDJRKXWTACYJJ-UHFFFAOYSA-N 378.500 4.589 0 40 GJAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(N(C)C)cc3)o2)cc1C 33742148 CLGTWINVTLRSHU-UHFFFAOYSA-N 393.512 4.756 0 40 GJAB CN(Cc1ccccc1NC(=O)c1cc2ccccc2[nH]c1=O)C1CCCCC1 36390838 HXOAPOMHVOADBB-UHFFFAOYSA-N 389.499 4.545 0 40 GJAB CC(C)(C)OC(=O)N1CCC(COc2ccc(Br)cc2F)CC1 39954033 SVUVXYYRSOFJFX-UHFFFAOYSA-N 388.277 4.614 0 40 GJAB CCOc1ccccc1NC(=O)CNc1ccccc1N(C)c1ccccc1 40122940 JYHVHGXRESMNEP-UHFFFAOYSA-N 375.472 4.904 0 40 GJAB COc1cc(OC)c([C@@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc1OC 40288011 KRNZLNZSIPZELD-AWEZNQCLSA-N 396.468 4.960 0 40 GJAB Cc1ccccc1SCC(=O)N[C@@H](c1nc(-c2ccccc2)no1)C(C)C 58003072 QHHLJNHJJIIBEZ-LJQANCHMSA-N 381.501 4.651 0 40 GJAB Cc1ccc(-c2csc(NC(=O)[C@H](OC[C@@H]3CCCO3)C(C)C)n2)cc1C 58014514 AWHSEVQBKSHSTG-PKOBYXMFSA-N 388.533 4.586 0 40 GJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)cc1 67339493 GWRQQMVBTXGKFM-CMDGGOBGSA-N 399.830 4.923 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 83996101 DLCNDHYIGYJPOL-OKILXGFUSA-N 384.480 4.538 0 40 GJAB O=C(NNc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12 84590961 SMOWEYSKDNBIQI-UHFFFAOYSA-N 375.378 4.937 0 40 GJAB CCCCOCCN(C(=O)c1ccsc1)c1ccc(Br)cc1 84746689 WXUIELOUGHXDPZ-UHFFFAOYSA-N 382.323 4.974 0 40 GJAB COC(=O)C[C@H](c1oc(CSc2ccccc2Cl)cc(=O)c1O)C(C)C 95478993 TXJRWMONARRHHA-ZDUSSCGKSA-N 396.892 4.594 0 40 GJAB O=S(=O)(NCc1ccccc1-c1ccsc1)c1ccccc1C(F)(F)F 96122968 XZTNUAZBKODRPL-UHFFFAOYSA-N 397.443 4.912 0 40 GJAB O=C(Nc1ccc(F)c(F)c1F)c1c(-n2cccc2)sc2c1CCSC2 96997253 IYJPDQZSIDWMIQ-UHFFFAOYSA-N 394.443 4.998 0 40 GJAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3)CC2)c1 100744864 FYSNXRNABUWYEY-WOVMCDHWSA-N 380.517 4.545 0 40 GJAB COc1cc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1OC(C)C 219022883 GZESHMUNNKFJOK-KRWDZBQOSA-N 393.483 4.719 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1Cc1ccco1 222820124 HYUHPBQVOYTBLR-SFTDATJTSA-N 394.544 4.522 0 40 GJAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3)c2)c(OC)c1 224088490 JBDNHONFPOTKCC-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3ccccc3C)c2)cc1 224095554 IMVUEICVTYTFEH-UHFFFAOYSA-N 391.467 4.521 0 40 GJAB CCCOCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC 224416961 ODARVSYPPMWCPC-UHFFFAOYSA-N 381.516 4.717 0 40 GJAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NCCc3ccccc3)o2)c1 224898044 WLMRDBUSQWFPQW-UHFFFAOYSA-N 398.462 4.990 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1Cl 224947423 NCLGPXAHPMQQLS-QZTJIDSGSA-N 385.876 4.514 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(OC)cc2)cc1Cl 225466049 AVJCXXWZJYXFFQ-GFCCVEGCSA-N 392.908 4.573 0 40 GJAB O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225576448 CZTHAODXVHNDQM-UHFFFAOYSA-N 395.305 4.661 0 40 GJAB CC(=O)NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 408628599 VFEFUUXEXXIYLM-UHFFFAOYSA-N 380.256 4.635 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)Cc3ccccc3)[C@](O)(C(F)(F)F)[C@H]2C1 409361697 RDDPDCDZHVDHTA-GQIGUUNPSA-N 396.453 4.531 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCc2ccccc2)N1c1ccc(F)cc1 1615154010 DDHATUHYBNTXMT-VXKWHMMOSA-N 380.507 4.807 0 40 GJAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 705162 XBPOEYVBRMPMEA-LSSDNNNWSA-N 393.486 4.740 0 40 GJAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)cc1C 714086 RYONNDPMDXKLEE-ZCOIRKDISA-N 393.486 4.874 0 40 GJAB COc1ccc(O[C@@H](NC(=O)C(Cl)(Cl)Cl)c2cccc(C)c2)cc1 823850 MITPJGOCBINAJM-OAHLLOKOSA-N 388.678 4.568 0 40 GJAB CCN(C(=O)c1ccccc1F)c1nc(-c2cc(OC)ccc2OC)cs1 881018 PWZXMTCAZHGAGD-UHFFFAOYSA-N 386.448 4.633 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)N4[C@@H](C)CCC[C@@H]4C)n3c2c1C 903166 PGSWCYIEIFVXQS-HOTGVXAUSA-N 396.560 4.689 0 40 GJAB O=C(Nc1ccccc1I)c1cc(Cl)ccc1Cl 1097933 DHRLZRDRTGCVKR-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB CCc1nc(SCC(=O)N2c3ccccc3C[C@H]2C)c2c(C)c(C)sc2n1 1372149 VPEBRLWUJRTXGU-GFCCVEGCSA-N 397.569 4.940 0 40 GJAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccn2)N2CCCC2)c1C 1448814 WSRWYTCVZWDOPJ-IBGZPJMESA-N 381.501 4.790 0 40 GJAB O=C(NC(=O)c1c(F)cccc1F)Nc1cccc(SC(F)(F)F)c1 2239715 YTFADLNHSFNWOV-UHFFFAOYSA-N 376.306 4.539 0 40 GJAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)cc4)nnc32)cc1Cl 2337631 XVACTFVSCTYINL-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB Cc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc(Cl)c4)nc3C2)cc1 2368017 YBHHIYZCLZDCFP-INIZCTEOSA-N 391.858 4.603 0 40 GJAB CC[C@H](C(=O)OCC(=O)Nc1cc(C(C)(C)C)ccc1OC)c1ccccc1 3217151 LASIUGUSJXEJSI-SFHVURJKSA-N 383.488 4.668 0 40 GJAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 3263740 QGZSILIJHSKUTF-UHFFFAOYSA-N 375.424 4.548 0 40 GJAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 4312936 GVYVJCZRZCFCBD-SFHVURJKSA-N 387.505 4.505 0 40 GJAB Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)cc1 4481835 NQWBGVZXPXWNFI-QNGOZBTKSA-N 383.403 4.559 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CCc2ccccc21 5242970 SEBWTCAMPKJXDR-UHFFFAOYSA-N 397.503 4.978 0 40 GJAB CC[C@H]1C[C@H](CC(=O)NC(=S)Nc2ccc(Br)cc2)C1(C)C 5333356 GKZXVZBFLVRRIA-NWDGAFQWSA-N 383.355 4.725 0 40 GJAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(N2CCOCC2)cc1 5616357 OYSTYKIGPCGSRN-UHFFFAOYSA-N 394.515 4.588 0 40 GJAB O=C(Oc1ccc2c(c1)OCO2)c1cc(-c2cccs2)nc2ccccc12 6213116 MRQXKFKNYQTCNO-UHFFFAOYSA-N 375.405 4.911 0 40 GJAB CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 6737006 QSMNDABMOPANIC-OAHLLOKOSA-N 399.878 4.595 0 40 GJAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cccc(F)c1 6896277 NNTJTXKIQHBVTN-UHFFFAOYSA-N 391.899 4.596 0 40 GJAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(Cl)c2ccccc12 7132648 MPCPSTGJEBLISW-CQSZACIVSA-N 394.858 4.636 0 40 GJAB CCOc1ccc([C@@H]2CCCN2Cn2nc(C)n(-c3ccccc3)c2=S)cc1 7317569 QQDWIMMCLWBPKI-NRFANRHFSA-N 394.544 4.905 0 40 GJAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4nccs4)cc3)c2O1 7454199 JRBDDTYAKFHBGC-UHFFFAOYSA-N 380.469 4.688 0 40 GJAB CCN(C(=O)[C@H](C)Sc1nnc(NCc2ccccc2)s1)c1ccccc1 8192350 GGYBETLAMXPVIH-HNNXBMFYSA-N 398.557 4.684 0 40 GJAB O=C(NCc1ccccc1)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 8517071 DQBBTNPMAKJEIT-UHFFFAOYSA-N 399.416 4.700 0 40 GJAB O=C(Cc1noc2ccccc12)N(CCc1cccs1)Cc1cccs1 9502844 QRCAGWUZAYCZKJ-UHFFFAOYSA-N 382.510 4.765 0 40 GJAB CCn1nccc1NC(=O)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C 9579354 PDBURLSXQHYASO-OAHLLOKOSA-N 388.821 4.650 0 40 GJAB CC(=O)Nc1ccccc1OCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 10801305 UECYOVVQYHFRNV-KRWDZBQOSA-N 388.467 4.568 0 40 GJAB Cc1c(C(=O)N2CCC[C@](O)(c3ccc(F)cc3)CC2)oc2c(C)cccc12 12251713 CXLYQNVLQPPRGD-HSZRJFAPSA-N 381.447 4.703 0 40 GJAB O=C(Nc1ccc(-n2cccn2)nc1)[C@@H](Sc1ccccc1)c1ccccc1 12528465 LUWZKCPXYIDOPZ-NRFANRHFSA-N 386.480 4.739 0 40 GJAB CCCc1ccc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1 12588686 YHXPFQJOXGFXBV-UHFFFAOYSA-N 386.908 4.604 0 40 GJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 14383345 KNGDUIIAMJAHLH-UHFFFAOYSA-N 397.327 4.984 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 14397188 KDUATAIEASEXNY-GFCCVEGCSA-N 396.270 4.803 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 14398931 NGHNDBXNKNEKJK-UHFFFAOYSA-N 388.895 4.668 0 40 GJAB Cc1cc(Nc2ccc(Br)c(C)c2)n2nc(-c3ccccc3)nc2n1 16282229 NEGOZJSSDUEVHA-UHFFFAOYSA-N 394.276 4.914 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccccc2Br)c1C 16549013 OJXOZFZGYFLRPM-LBPRGKRZSA-N 380.307 4.960 0 40 GJAB COc1ccc(CN2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1 19574873 LEYNFJPDGUQLHS-JEBQAFNWSA-N 394.441 4.536 0 40 GJAB COc1cc2ccccc2cc1C(=O)NCCCc1ccc(OC(C)C)cc1 20491517 AUURFXFXEONJIP-UHFFFAOYSA-N 377.484 4.998 0 40 GJAB O=C(O)C/C(=C/c1ccc(F)c(Br)c1)c1nc2ccccc2o1 22089089 YADRNGXSBJLLBC-XFFZJAGNSA-N 376.181 4.745 0 40 GJAB COc1cc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(OC)cc1Cl 22532240 UCWZDIGTHWENSA-CYBMUJFWSA-N 377.868 4.887 0 40 GJAB COc1ccc(-c2csc(-n3nc(C(F)(F)F)c4c3CCCC4)n2)cc1 25185993 MPBMYVIDUIDQBH-UHFFFAOYSA-N 379.407 4.902 0 40 GJAB O[C@H](COc1ccc(Cl)cc1)CN(Cc1ccc(F)cc1)Cc1ccco1 28580897 CDJKXJHBNJXTCH-IBGZPJMESA-N 389.854 4.514 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 30943699 UNWOBXVDRSACRZ-GHTZIAJQSA-N 384.951 4.690 0 40 GJAB Cc1nc(CSCCC(=O)Nc2ccccc2N2CCCCC2)cs1 32063079 TVLQKHRQEYQQAM-UHFFFAOYSA-N 375.563 4.704 0 40 GJAB COc1cc(-c2nc3cc(C)ccn3c2Nc2ccccc2OC)ccc1O 35615998 ICLBUQJFPXJXFH-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB COc1cccc2sc(N(Cc3ccccn3)C(=O)c3cc(C)oc3C)nc12 36691679 HUAQEPXFOOXZML-UHFFFAOYSA-N 393.468 4.757 0 40 GJAB CCN(Cc1cccc(F)c1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 40058721 ADTAGIQUDQJTGW-UHFFFAOYSA-N 386.467 4.764 0 40 GJAB Cc1cn2cc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2n1 58406504 NPUUFIYCFFHRLF-UHFFFAOYSA-N 387.283 4.933 0 40 GJAB Cc1ccc(CSCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 61133361 YWWXBILSIRXKAP-UHFFFAOYSA-N 393.556 4.520 0 40 GJAB C[C@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1cccc2ccccc12 63809317 KLWPDFXRHQNXEJ-LBPRGKRZSA-N 375.453 4.642 0 40 GJAB CCOc1ccccc1CNc1c(C(=O)N2CCCC2)cnc2ccc(F)cc12 67288214 KQANNTCDHGNEID-UHFFFAOYSA-N 393.462 4.621 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ncccc2C)C12CCCC2 71280928 NDEAFKKYHPLLBY-FXAWDEMLSA-N 391.515 4.679 0 40 GJAB CCN(C(=O)Cn1nc(C)nc1-c1ccc2ccccc2c1)C1CCCCC1 71794738 YGDHLMPYBQSVOB-UHFFFAOYSA-N 376.504 4.588 0 40 GJAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Nc2cccc3ccccc23)cc1 89904826 XEZKLEQJEFTEFZ-LADGPHEKSA-N 390.483 4.752 0 40 GJAB CC(C)Oc1ccc(C(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1 90610572 GFXJZPPXPHFUDN-UHFFFAOYSA-N 385.510 4.758 0 40 GJAB O=C(c1cccc(Br)c1)N(Cc1ccoc1)Cc1cccs1 90612169 QXRCXRDLWBRWON-UHFFFAOYSA-N 376.275 4.946 0 40 GJAB Cc1cccc(N2C(=O)/C(=C/Nc3ccc(Cl)cn3)c3ccccc3C2=O)c1 98085953 DVVFOQNTSBRRNH-CPNJWEJPSA-N 389.842 4.683 0 40 GJAB CCCCCn1c(=O)c(C(=O)Nc2ccc(OCC)cc2)c(O)c2ccccc21 100502033 BUBGSAQWBVRVHA-UHFFFAOYSA-N 394.471 4.548 0 40 GJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCCC(=O)Nc1cccc(C(F)(F)F)c1 103142725 AEYUOUOTMARILI-JKIFEVAISA-N 384.442 4.755 0 40 GJAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3cccc(Br)c3)cc2)n1 170569440 IAOMRIOZXQFKKF-UHFFFAOYSA-N 397.276 4.852 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)COc1ccc(OC)cc1 216265474 QEFDTDJZPYIPHF-JTSKRJEESA-N 393.483 4.590 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219317949 KIIMHSLJDGPZHF-PMACEKPBSA-N 383.488 4.580 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 222854174 SHNMHLFKGHPJOF-INIZCTEOSA-N 375.896 4.563 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccccc1OC 222929691 AZCBPCRJJJXWHB-OAQYLSRUSA-N 383.532 4.899 0 40 GJAB CC[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)CCCC2 223089198 RHWAFCFGBKUUHN-JOCHJYFZSA-N 376.500 4.573 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 223693802 IJJWHNYUXRIFJL-KSFYIVLOSA-N 397.515 4.617 0 40 GJAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1Cl 224156930 WXSOHNQJSADQAM-INIZCTEOSA-N 383.875 4.764 0 40 GJAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COCC(C)C 224738856 ULFZRSGXORJEEC-UHFFFAOYSA-N 387.476 4.527 0 40 GJAB S=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(Br)cn1 225194206 OROWXGWOYUIAQW-UHFFFAOYSA-N 391.121 4.638 0 40 GJAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccccc1Oc1ccccc1 225747309 SEAGFWPEJSEOBM-UHFFFAOYSA-N 384.435 4.741 0 40 GJAB Cc1cc(Br)ccc1-c1ccc(C(=O)Nc2ccc(F)c(N)c2)o1 226763948 HLUDJBIFEDVZFS-UHFFFAOYSA-N 389.224 4.991 0 40 GJAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1CN1CCCCC1 257217223 CYCQTUZBCVOCSP-HPUHJGTRSA-N 399.575 4.556 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccccc3Br)N21 260772434 NSAOKROHPKZKOQ-JLZZUVOBSA-N 388.334 4.824 0 40 GJAB Cc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1 408840405 BELUKLIGVSCRJI-RCCKNPSSSA-N 397.430 4.867 0 40 GJAB CCc1cccc(C)c1NC(=O)CSc1nnc(C)n1-c1ccc(C)c(C)c1 409089676 OQQWXQIKQRTUIJ-UHFFFAOYSA-N 394.544 4.794 0 40 GJAB Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CCN(Cc3ccccn3)CC1)O2 585261622 CBDKLIKACMUCOR-PZJWPPBQSA-N 384.907 4.630 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)c1c(C)nn(Cc2ccccc2)c1C 1522332349 VRQPEANXPXYMNK-UHFFFAOYSA-N 387.936 4.925 0 40 GJAB CCc1cnc(Nc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 2037835910 INRURONWGCFOPV-UHFFFAOYSA-N 388.537 4.959 0 40 GJAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C[C@@H]1OCC1CC1 2332242700 JCPDWPCCUPJMDW-MQFRRQCYSA-N 399.966 4.723 0 40 GJAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccco3)cc2c1 1359607 NZCIORHMRNIXMR-UHFFFAOYSA-N 386.451 4.581 0 40 GJAB O=c1c2c(-c3ccccc3)csc2ncn1-c1ccc(Br)cc1 2347737 OWZVXGXRANZFAL-UHFFFAOYSA-N 383.270 4.877 0 40 GJAB CC[C@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C)cc1)CC2=O)c1ccccc1 2408092 MCEFSJVOEVDHJN-PMACEKPBSA-N 399.494 4.830 0 40 GJAB CCSc1nnc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)s1 2651377 YAUCVKXCWBGHSK-UHFFFAOYSA-N 382.470 4.711 0 40 GJAB Cc1ccccc1[C@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@@H]2c1cccs1 2707215 OTINGDSTQHQADC-FCHUYYIVSA-N 398.491 4.861 0 40 GJAB COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(F)cc3)sc2C)cc1 3268938 CYRZCMBLKZQOMB-UHFFFAOYSA-N 398.459 4.868 0 40 GJAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCCN1C(=O)c1cccs1 3416342 VQZMNNJNLUBAJP-LJQANCHMSA-N 376.481 4.658 0 40 GJAB O=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1ccc(F)cc1 4119958 VPALFFZVOMBGKK-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2cccc2[C@H]1c1ccncc1 4329874 XKQRCIKWKYQCDC-GOSISDBHSA-N 387.270 4.827 0 40 GJAB COc1cc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)cc(OC)c1OC 4330955 CLANALRGYUOVGL-UHFFFAOYSA-N 392.864 4.536 0 40 GJAB COc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc(Cl)c1O 4571678 CVPDIKIIJDGDON-VPTHRUTESA-N 378.881 4.669 0 40 GJAB COc1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2ccc(C(C)C)cc2)c(OC)c1 4699731 NKCGCMSBTMZIJS-INIZCTEOSA-N 398.503 4.821 0 40 GJAB CC[C@H]1CCCCN1C(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 4828523 DRJGQJLRFQWEKT-DUVNUKRYSA-N 396.413 4.541 0 40 GJAB Cc1ccc(CNc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc1 5053559 MHUHKDJQYTYZAC-UHFFFAOYSA-N 383.923 4.743 0 40 GJAB COc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(C)c(C)c3)nc12 5122363 UAINKPVYDGNLAF-UHFFFAOYSA-N 397.544 4.520 0 40 GJAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1c[nH]c2ccccc12 6128534 JKEKOTTZHZFCJC-CQSZACIVSA-N 388.496 4.990 0 40 GJAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 6238606 XMXGZTNFEREQAC-UHFFFAOYSA-N 380.513 4.771 0 40 GJAB Cc1csc(N(C(=O)COc2cccc3c2OC(C)(C)C3)c2ccccc2)n1 6579376 YDQDSFLYAJVFMG-UHFFFAOYSA-N 394.496 4.909 0 40 GJAB CCOc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 6648924 KGNVTMBXCOVQDJ-UHFFFAOYSA-N 389.451 4.552 0 40 GJAB CC(C)c1ccc(-n2nnnc2S[C@@H](C)c2nnc(-c3cccs3)o2)cc1 6850244 YIUMZXAETOGHHD-LBPRGKRZSA-N 398.517 4.751 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1ncnc2sc3c(c12)CCC3 7124122 XMXZBBAWJZWECC-ZDUSSCGKSA-N 383.542 4.916 0 40 GJAB O=C([C@H]1CC=CCC1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 7780136 GDHVHRHDUNFPKI-OSICKASQSA-N 375.468 4.861 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)cc2F)cc1 7935365 OWJIAHKFTPVKGY-JTQLQIEISA-N 384.270 4.716 0 40 GJAB O=C(NCC(=O)c1cccs1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 7997722 QKHDGKFNBHFIII-UHFFFAOYSA-N 380.252 4.928 0 40 GJAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(N4CCCCCC4)cc3)cc2NC1=O 8341927 FFQZTCRORIMCTD-OAHLLOKOSA-N 395.528 4.752 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)cc1C 8478398 LUMBJQPLHFENQD-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB COc1ccc(CCC2CCN(C(=O)c3ccc(SC)cc3OC)CC2)cc1 8986989 ARPKFABBGCCOFE-UHFFFAOYSA-N 399.556 4.911 0 40 GJAB CC(=O)c1ccc(Oc2nc(CN3CCCC3)nc3sc(C)c(C)c23)cc1 9645240 GSFQBVSALGHZDZ-UHFFFAOYSA-N 381.501 4.899 0 40 GJAB OC1(c2cccnc2)[C@H]2CCC[C@@H]1CN(Cc1cccc(Cl)c1Cl)C2 12134972 YVEZDQHLESTJLM-XEWABKELSA-N 377.315 4.508 0 40 GJAB CCc1nnsc1C(=O)N(C)Cc1ccc2c(c1)c1ccccc1n2CC 12597880 HMMFVJBXRCSEFJ-UHFFFAOYSA-N 378.501 4.501 0 40 GJAB COc1ccc([C@@H](CNC(=O)CCc2ccco2)c2c[nH]c3ccccc23)cc1 12771537 WOTARLNWQDQESA-OAQYLSRUSA-N 388.467 4.650 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 12785443 PXWOEPFQTABCKO-ZHRRBRCNSA-N 398.503 4.614 0 40 GJAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(c2nc3ccccc3o2)CC1 15832073 LYDOLFCJMZLRLZ-AWEZNQCLSA-N 384.863 4.655 0 40 GJAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccc(C)o3)N(C)C)sc2c1 15860349 HAGQEQUVZPKEKR-AWEZNQCLSA-N 376.909 4.797 0 40 GJAB Cc1cc(C)cc(OCCOC(=O)c2cccnc2SCc2cc(C)on2)c1 16694731 LUYJEAZNMVMSHU-UHFFFAOYSA-N 398.484 4.523 0 40 GJAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2ccccc2Cl)cc1 20036287 NXYNNZNJKFAFCM-IBGZPJMESA-N 381.925 4.555 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20143905 CCIUDTCSZKHGJT-UHFFFAOYSA-N 385.847 4.672 0 40 GJAB O=C(COc1ccccc1Cl)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20144587 SECIOPDDYKGLCF-UHFFFAOYSA-N 392.238 4.763 0 40 GJAB Cn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c2cc(F)ccc21 22236334 KUMVYOLOWLOZME-UHFFFAOYSA-N 388.398 4.722 0 40 GJAB Cn1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c2cc(F)ccc21 22236487 ZUEVVWUBXXHBTI-UHFFFAOYSA-N 398.743 4.602 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 22514390 FCOALSPHKRPVDQ-FUHWJXTLSA-N 382.504 4.546 0 40 GJAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 23174381 OFWMSHGUGLJOKN-OAHLLOKOSA-N 391.471 4.684 0 40 GJAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc3ccc(C(F)(F)F)cn23)cc1 24144101 RUMHMJFCHYXFGO-LLVKDONJSA-N 395.406 4.510 0 40 GJAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCc1csc(-c2ccccc2)n1 28288493 ASJRHLYKDULEGA-CQSZACIVSA-N 386.904 4.590 0 40 GJAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1ccc(C(F)(F)F)cc1 28303766 FCSYJXYHQXQGAH-UHFFFAOYSA-N 379.769 4.856 0 40 GJAB C[C@@H](C(=O)Nc1ccc(SC2CCCC2)cc1)n1c(=O)oc2ccccc21 30182412 PMQBGGAZSVYBCB-AWEZNQCLSA-N 382.485 4.829 0 40 GJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c(C)c1 32578921 CCVSOLCYKSYKKA-KRWDZBQOSA-N 393.487 4.733 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCCc1ccc(C(F)(F)F)cc1 35316534 AQHRTZCETMZCBF-UHFFFAOYSA-N 391.412 4.979 0 40 GJAB Cc1c(/C=C2\C[C@@H]3[C@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cnn1C 38204061 FEOGWSYHLNRMLI-SSJGLUOLSA-N 396.575 4.695 0 40 GJAB O=C(NCCSC1CCCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38852769 QHVBZYCGCWUDLO-GOSISDBHSA-N 395.012 4.734 0 40 GJAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1 44947833 MIKMYMPAKQJVKZ-IBGZPJMESA-N 399.915 4.695 0 40 GJAB C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@@H]1c1ccsc1 48286137 DOHSKNGACPBCAY-WMLDXEAASA-N 385.558 4.542 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(Cl)cc1F 51364533 UXJGFFFMCMCKEK-HNNXBMFYSA-N 382.822 4.638 0 40 GJAB COc1cc(NC(=O)[C@H](C)N[C@@H](C)c2cccc3ccccc23)cc(OC)c1 57380652 COHVSFXWVGRESB-HOTGVXAUSA-N 378.472 4.535 0 40 GJAB COc1cccc(CNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c1 58324647 ODLUOUBZCPYIGC-KVEMZPMDSA-N 375.512 4.850 0 40 GJAB c1ccc(-c2nnc([C@@H]3CC34CCN(c3ncnc5sccc35)CC4)o2)cc1 71889482 BDVYRMPXANGRCZ-INIZCTEOSA-N 389.484 4.515 0 40 GJAB N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 72227827 CNRKGSCIISQDGE-KBPBESRZSA-N 376.070 4.715 0 40 GJAB O=C1OCCN1c1cccc(NC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1 72273995 DQNCZBSXXHJQGV-NRFANRHFSA-N 391.471 4.717 0 40 GJAB COc1ccc(OC[C@@H](O)Cn2c(C3CCCCC3)nc3ccccc32)cc1 82087079 JPJRZFGRYCYWST-SFHVURJKSA-N 380.488 4.533 0 40 GJAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 102081510 CYEABNJSCNPBIF-UCGFNCKJSA-N 391.854 4.690 0 40 GJAB COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@@H](c3ccccc3)CC(O)=C21 102836398 QDHZAFKNLXOYNA-JLTOFOAXSA-N 388.427 4.707 0 40 GJAB Cc1c(C(=O)N[C@@H](C)COc2ccc(Cl)cc2)n(C)c2ccc(Cl)cc12 141595034 LPDHUDDCNOMHMO-LBPRGKRZSA-N 391.298 4.991 0 40 GJAB Cc1ccc(N2CCC(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)cc1 219865007 FNOFWOZHGYSCMY-QFIPXVFZSA-N 392.543 4.938 0 40 GJAB CC(C)Sc1nnc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)s1 223167427 MIGGYAZGDJXYKY-GFCCVEGCSA-N 379.551 4.742 0 40 GJAB Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)CC2)c1 223223937 UNGUXKLQVWOXHT-IBGZPJMESA-N 376.544 4.573 0 40 GJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 224555955 YMIMZKDVCCLHOY-UHFFFAOYSA-N 386.517 4.623 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224623668 IAUJFXJYHTULSV-FQEVSTJZSA-N 389.923 4.990 0 40 GJAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(Br)cc1F 225514404 CTRFPNKKHYKXII-GFCCVEGCSA-N 381.314 4.896 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccc(-c2ccsc2)cc1 225615851 NZGYQELMTJHSHO-UHFFFAOYSA-N 388.492 4.967 0 40 GJAB O=C1CCCN1c1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1 225865101 LOCNPWZMJSFUAG-UHFFFAOYSA-N 379.529 4.569 0 40 GJAB CCc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 225880940 AIHQSYNTIPDOBK-UHFFFAOYSA-N 391.515 4.798 0 40 GJAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 244409563 YPDQLZANHJSEOJ-UHFFFAOYSA-N 390.405 4.505 0 40 GJAB O=C(O)c1cccn(C[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1=O 257322717 WHBKGIWKAWULTH-GOSISDBHSA-N 392.842 4.513 0 40 GJAB CCCOc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OC 408569036 YGEDMYZFPCTWJA-VZUCSPMQSA-N 388.847 4.577 0 40 GJAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 408628708 WHAGYVUVMKTORN-OBHPCNEJSA-N 379.529 4.592 0 40 GJAB CCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1 409119138 RLANZYUVFRFPFE-UHFFFAOYSA-N 380.517 4.703 0 40 GJAB O=C(NC[C@H]1COc2ccccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 585150006 LHRKZZLGZMELLA-NSHDSACASA-N 389.295 4.630 0 40 GJAB CCCCCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 709650650 KKOUKNUFSDJJBV-UHFFFAOYSA-N 381.472 4.902 0 40 GJAB COc1ccc(C)cc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615122300 CFXAZHKXHXKKLG-DEOSSOPVSA-N 396.506 4.806 0 40 GJAB CSc1nc(C(=O)Oc2ccc(-c3cccnc3)cc2Cl)c2ccccn12 1624133295 HMFLRAZRYMKQIF-UHFFFAOYSA-N 395.871 4.991 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)C12CC3CC(CC(C3)C1)C2 1775966693 ULQYXDDBFUYLKG-BFKIHDCISA-N 387.570 4.843 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@H](O)c1ccc(-c2cccs2)o1 1889302524 KUXRLBHSCXAHEX-SFHVURJKSA-N 377.465 4.554 0 40 GJAB COc1cccc(C(=O)c2sc(Nc3ccc(F)c(Cl)c3)nc2N)c1 664164 KRJYEHUHNLDRQL-UHFFFAOYSA-N 377.828 4.501 0 40 GJAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 687271 QLRYSESRNSHABV-CPNJWEJPSA-N 391.858 4.845 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2C)cc1Cl 906763 UHNKPNVKFWRCCQ-UHFFFAOYSA-N 378.929 4.555 0 40 GJAB Cc1ccccc1OCCn1c(NC(=O)c2cccs2)nc2ccccc21 924108 PIKLXZFORCQPLP-UHFFFAOYSA-N 377.469 4.738 0 40 GJAB C[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3Br)cc2)C1 998816 RZJTYSAZYMRSHE-HNNXBMFYSA-N 388.305 4.900 0 40 GJAB CSc1ccc(NC(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)cc1 1354112 XNHZJWXSWYYZQN-UHFFFAOYSA-N 379.485 4.571 0 40 GJAB Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)cc1 1363422 JYFLWCXVYNBNGE-KRWDZBQOSA-N 381.863 4.718 0 40 GJAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3ccco3)cc12 1366464 JNIBTUKUWUDNJC-UHFFFAOYSA-N 392.480 4.642 0 40 GJAB O=C(O)CCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 1513175 CPZAAQIZPWFUCI-MZTVPOPMSA-N 388.467 4.674 0 40 GJAB CCN(CC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)ccc12 1621218 SDWAOYLQQLXJHY-QFIPXVFZSA-N 384.907 4.939 0 40 GJAB Cc1c(CC(=O)O)c(=O)oc2cc(OCc3c(Cl)cccc3Cl)ccc12 2149028 MYXBPZIOYWOBJD-UHFFFAOYSA-N 393.222 4.614 0 40 GJAB biogenic CCCSc1nc(N[C@H](CC)CO)c2c3c(sc2n1)CO[C@](C)(CC)C3 2451181 QPGMAKRMYWTZCS-CWTRNNRKSA-N 395.594 4.618 0 40 GJAB Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(O)cc2)cc1 2703971 MZTOTMCHKOUISG-JOCHJYFZSA-N 397.430 4.552 0 40 GJAB Cc1ccccc1N[C@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl 3111578 FRTYWTQNHCOXRU-OAHLLOKOSA-N 375.658 4.672 0 40 GJAB COc1ccc(-c2cc(C(=O)O[C@@H]3CCCCC3=O)c3ccccc3n2)cc1 3303609 CQMYEGKQCFBQJB-JOCHJYFZSA-N 375.424 4.579 0 40 GJAB Cc1ccc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1C 3362217 XNCDUWWECDXVOP-UHFFFAOYSA-N 379.696 4.569 0 40 GJAB c1ccc(-c2nc(SCc3nnnn3-c3ccccc3)c3ccccc3n2)cc1 4130395 QNXHORJGIAMJTF-UHFFFAOYSA-N 396.479 4.565 0 40 GJAB Cc1ccc2nc(CSc3nnc(-c4ccccc4F)n3C3CC3)cn2c1 4278469 WZJRBDWZFVBMHV-UHFFFAOYSA-N 379.464 4.668 0 40 GJAB Cc1ccc(Nc2nc(NCc3ccccc3)nc3c2cnn3C)cc1Cl 4374885 MMSNYNDUITWDDS-UHFFFAOYSA-N 378.867 4.681 0 40 GJAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2)c1 5156548 DGWHOJOZQHIWKP-QFIPXVFZSA-N 396.446 4.863 0 40 GJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1ccc(Br)s1 5324709 XIDFWFIERTZGFX-UHFFFAOYSA-N 399.266 4.675 0 40 GJAB COc1ccc(C(C)=O)cc1COC(=O)/C=C/c1cccc(C(F)(F)F)c1 5655434 GNTKHQHVNWTGCO-RMKNXTFCSA-N 378.346 4.673 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 7462186 UQBSDAZXUPUPQR-SHUWCMERSA-N 385.596 4.810 0 40 GJAB CC(C)c1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)c(C(C)C)c1 7989235 XLWKGXCASDEERV-UHFFFAOYSA-N 379.548 4.938 0 40 GJAB CCn1c(SCCCOc2ccccc2C(=O)O)nnc1-c1ccc(C)cc1 8731815 SZYGTBVEEBIYMK-UHFFFAOYSA-N 397.500 4.533 0 40 GJAB Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)Nc2cccc(F)c2)cc1 9132217 RUHXNEOAZHLWEY-MRXNPFEDSA-N 395.459 4.511 0 40 GJAB CCOc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 10254550 SKGTZLXAQYRKDJ-UHFFFAOYSA-N 386.879 4.991 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1F 10260909 UFWOLIYDSANCON-INIZCTEOSA-N 393.249 4.777 0 40 GJAB C[C@@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccc(F)cc1F 12560000 KRDBLBWGGMLFKL-CYBMUJFWSA-N 397.450 4.761 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)OC(=O)C(c1ccccc1)c1ccccc1 12600739 UNHYISUNSMWEAB-CEXWTWQISA-N 379.500 4.540 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 12770724 UZXSHYMEBMVFFP-LLVKDONJSA-N 390.411 4.671 0 40 GJAB Cc1ccc(NC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)c(Br)c1 12773226 XFWUCJMKVPQGCT-UHFFFAOYSA-N 395.341 4.561 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 12786074 GSESJJJONDWMCH-VGSWGCGISA-N 377.509 4.998 0 40 GJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCc1nnc(-c2ccsc2)o1 12873424 FDMAEIAVODSGDY-ZDUSSCGKSA-N 381.457 4.697 0 40 GJAB CCN(C(=O)[C@@H](C)Sc1nnc(C2CC2)n1CC)c1cccc2ccccc12 12873882 ALAAZCNHXXAYBG-OAHLLOKOSA-N 394.544 4.862 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCc1ccc(Cl)cc1 12907461 YONTWTHEKJSKJM-UHFFFAOYSA-N 388.876 4.528 0 40 GJAB Fc1ccc([C@H](Nc2ccc3nnc(C(F)(F)F)n3n2)c2cccs2)cc1 12933299 VATBBVCHFTXOMX-HNNXBMFYSA-N 393.369 4.545 0 40 GJAB CCc1nnsc1C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 12987353 NJYLXNLOAJKHPO-UHFFFAOYSA-N 399.328 4.707 0 40 GJAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCc5ccccc5C4)cc3)o2)cc1 14169735 QMFJBMWPWKMKAU-UHFFFAOYSA-N 395.462 4.911 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCC(C)C)c(C)c1 17247144 HRJRQXOIPLRHSL-UHFFFAOYSA-N 398.532 4.505 0 40 GJAB CCCN1CCC[C@](O)(c2nc(C)c(COc3ccc(Cl)cc3)s2)CC1 19705253 SXEPNZBHIDDDBP-HXUWFJFHSA-N 394.968 4.767 0 40 GJAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccccc1Cl 21787568 SBYNYNAAMZNCCE-HXUWFJFHSA-N 397.906 4.842 0 40 GJAB CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1ccccc1 25010549 JAIOCKKRPUFAQN-UHFFFAOYSA-N 394.544 4.578 0 40 GJAB Cc1ccc(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C 26114430 GBGLNIDEANNCJA-UHFFFAOYSA-N 398.550 4.780 0 40 GJAB FC(F)(F)c1cccc(CSc2nnc([C@H]3COc4ccccc4O3)o2)c1 26435810 OVTPZLICEMMFAL-OAHLLOKOSA-N 394.374 4.893 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@H](c2cccs2)C2CCCC2)C1 32397241 ATQNRRBJYOPOIL-AEFFLSMTSA-N 392.565 4.743 0 40 GJAB C[C@@H](NC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1ccccc1 32931941 BXJNYTCIYBOTSQ-WBMJQRKESA-N 397.828 4.600 0 40 GJAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc3ccccc23)o1 36664525 FEIDZIXEURAYEV-UHFFFAOYSA-N 391.452 4.629 0 40 GJAB CCN(Cc1ccccc1)C(=O)Cc1cc(-c2csc(C)n2)ccc1OC 39998405 FXRCSNKAAHMJNQ-UHFFFAOYSA-N 380.513 4.718 0 40 GJAB C[C@@H]1CCCN(Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)C1 44918615 JRTWPQZASLBWHL-XMSQKQJNSA-N 392.543 4.951 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)n[nH]2)cc1 51315485 PXXIOBBLYJDGTM-UHFFFAOYSA-N 391.349 4.626 0 40 GJAB Cc1c(Cl)cccc1NC(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 58316064 YWDWRIIQYKWAKQ-OAHLLOKOSA-N 395.931 4.759 0 40 GJAB O=C(NOCc1ccccc1)c1csc(-c2ccc(Cl)c(Cl)c2)n1 65836511 HQAXPFHCBHQKBP-UHFFFAOYSA-N 379.268 4.979 0 40 GJAB COc1ccc2ccccc2c1CNC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 83970444 JFZIKKJDNBJHQC-INIZCTEOSA-N 382.454 4.743 0 40 GJAB Cc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C 84022937 NZUHAVWCSDARRI-VXGBXAGGSA-N 389.883 4.600 0 40 GJAB CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cnc(-c2ccccc2)nc1 84755279 NTFXDXKHJFLISD-FQEVSTJZSA-N 378.863 4.774 0 40 GJAB Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)NC1CCCCCC1 96037612 JFOMLGRMDCQANQ-UHFFFAOYSA-N 389.503 4.678 0 40 GJAB CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 101257799 GLCOOPMJKXAGSA-DVOMOZLQSA-N 396.413 4.541 0 40 GJAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCC(C)C 106681957 VIADVUVYKYNQKQ-NDENLUEZSA-N 397.496 4.967 0 40 GJAB C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 222743080 LHBUALPBHSPVHU-LBPRGKRZSA-N 380.271 4.575 0 40 GJAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1C 223286521 IHPGCVSRGFLZKB-INIZCTEOSA-N 375.534 4.649 0 40 GJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)c1 224241875 CBGHOQBCGQUVMH-LEWJYISDSA-N 376.529 4.950 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(CN2CCCCC2)cc1 224535408 UOANHEQGXSEHQM-QHCPKHFHSA-N 394.559 4.763 0 40 GJAB O=C(NCc1ccc(CN2CCCCC2)cc1)C1(c2ccccc2)CCCC1 224537871 NUQMFERFNUCKQS-UHFFFAOYSA-N 376.544 4.801 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224619408 OIOSAPAVHCIRIN-GJZGRUSLSA-N 391.895 4.619 0 40 GJAB CSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 225553530 NLNLHKNQPIPAHG-RGEXLXHISA-N 392.480 4.720 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 225555955 GUKVMOLDJCRWQT-REWPJTCUSA-N 394.559 4.568 0 40 GJAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225615180 QZCAZPBQYAXLRB-UHFFFAOYSA-N 390.568 4.577 0 40 GJAB O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2cc(C(F)(F)F)ccc21 225822131 YKJZSQAKAQDQBQ-UHFFFAOYSA-N 375.390 4.705 0 40 GJAB CCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1C(=O)OCC 225858020 ABZXAPTWSQYQSC-JOCHJYFZSA-N 391.508 4.576 0 40 GJAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)cc1OC 225933569 VZIWNZQDUBZMIT-UHFFFAOYSA-N 387.479 4.688 0 40 GJAB FC(F)(F)Oc1ccccc1[C@H]1C[C@@H]1c1nc(-c2ccc3nc[nH]c3c2)no1 545752297 HTFOZAYVZQFDNC-OLZOCXBDSA-N 386.333 4.783 0 40 GJAB CC(C)(C)OCc1cc(CNC(=O)N2CCC[C@](C)(c3ccccc3)CC2)no1 585082895 JUTVTLMLXGNSNH-QHCPKHFHSA-N 399.535 4.643 0 40 GJAB CN(CC1=CCCOC1)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 666059285 DAGHXCXCBSOYQZ-UHFFFAOYSA-N 386.879 4.729 0 40 GJAB Cc1ccc(C(F)(F)C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1 1520680208 VKOBPTGYUXBBHP-UHFFFAOYSA-N 379.366 4.929 0 40 GJAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc2ccccc2oc1=O 804503 OEGOVAWGATUDKT-UHFFFAOYSA-N 381.391 4.589 0 40 GJAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3ccccc3Cl)n12 877107 ADHDLSKTFQZUGB-UHFFFAOYSA-N 396.903 4.884 0 40 GJAB COc1ccccc1NC(=O)c1sc2nc3c(C)c(C)ccc3cc2c1N 1342917 JQXULGPPXTVMIF-UHFFFAOYSA-N 377.469 4.909 0 40 GJAB COc1ccc(C(=O)N(CC(C)C)c2nnc(-c3ccccc3C)s2)cc1 1345329 SBAJIAUYRPXBHG-UHFFFAOYSA-N 381.501 4.825 0 40 GJAB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1)Nc1ccccc1 2079634 UJMGRULHUQGNAY-DEOSSOPVSA-N 387.435 4.573 0 40 GJAB COc1ccccc1-c1coc2cc(OC(=O)c3ccccc3F)ccc2c1=O 2393375 CYSLPEPMRLDNKE-UHFFFAOYSA-N 390.366 4.827 0 40 GJAB biogenic Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)Nc2ccccc2F)C3)cc1 4887981 DCEPUEYTNTUGLE-IHWFROFDSA-N 381.495 4.841 0 40 GJAB CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(NC(C)=O)cc3)s2)cc1 5403258 GHXQNIGWKRHXRN-UHFFFAOYSA-N 379.485 4.892 0 40 GJAB Cc1cc(SC(=O)c2c(-c3ccccc3Cl)noc2C)nc(=S)[nH]1 5537492 ZRMKBBDZTBZTCU-UHFFFAOYSA-N 377.878 4.997 0 40 GJAB Cn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccncc1 6137766 LIPFCVDIRYXUPK-HXUWFJFHSA-N 386.480 4.593 0 40 GJAB O=C(NC1CCCCCC1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 6471751 IYNBBOSNQYOOSF-WUKNDPDISA-N 398.528 4.552 0 40 GJAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3ccc(C)c(C)c3)cc2)cc1 6479887 MEFLDQWMGGPYPB-UHFFFAOYSA-N 394.492 4.805 0 40 GJAB COc1cc2c(cc1NC(=O)[C@@H](C)Sc1ncccn1)oc1ccccc12 6912524 MYEBJBWRMNHUBL-GFCCVEGCSA-N 379.441 4.504 0 40 GJAB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cccc(O)c3)C[C@H]21 7596958 UYNIDVCEECNRFJ-XMSQKQJNSA-N 376.412 4.626 0 40 GJAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc(OC)c1 8107628 BMFSLTRZYSMAPO-RQZCQDPDSA-N 389.860 4.594 0 40 GJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccc(F)cc3F)c(C)c12 8491560 RCNFUMIPSZNLDD-UHFFFAOYSA-N 397.377 4.924 0 40 GJAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(Cl)cc1Cl 9453028 UBPPLUFTQVOFOT-MRVPVSSYSA-N 399.328 4.959 0 40 GJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)cc(=O)c3c2)cc1 9660106 LWCYVDVFCIBXEA-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB biogenic Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1NC(=O)c1ccco1 10213829 FWWAAVPLFRUJKP-YQVWRLOYSA-N 380.488 4.929 0 40 GJAB Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1C 10331620 FSOTWIHULZIGCK-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(SCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 10867732 FZOKKVQLFFKFPA-INIZCTEOSA-N 398.553 4.909 0 40 GJAB C[C@@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1cccc(Cl)c1Cl 11500175 DDKSAIOUFUNZIZ-SNVBAGLBSA-N 399.347 4.964 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 12598672 PTGPXDNROCLMDG-LJQANCHMSA-N 396.560 4.672 0 40 GJAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)N3CCCC3)cc12 12782505 PMPRTZYTMNHIHF-UHFFFAOYSA-N 379.407 4.650 0 40 GJAB C[C@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl 12818395 KHDYGJPZOLRSLZ-VOJFVSQTSA-N 381.278 4.803 0 40 GJAB CC(C)c1ccc([C@@H](C)NC(=O)c2ccccc2SCC(=O)NC2CC2)cc1 12893085 IMVWFYALPZBJIB-MRXNPFEDSA-N 396.556 4.672 0 40 GJAB CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1 16317279 NDYBWLZIQNWSBY-HNNXBMFYSA-N 388.533 4.930 0 40 GJAB CCCC(=O)N1CCC[C@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1 19501275 KMONNBKXDLZCDR-LBPRGKRZSA-N 383.414 4.871 0 40 GJAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4cccnc4)C3)noc2n1 19522019 MTXQUXRIBWFQOP-CQSZACIVSA-N 390.409 4.579 0 40 GJAB CCOc1cc(CN[C@H](Cc2cccs2)c2nc(C)cs2)ccc1OC 19532139 VHQLWTOYEAFHMI-QGZVFWFLSA-N 388.558 4.994 0 40 GJAB COc1ccc([C@@H](NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)C2CC2)cc1 19659895 FJLXVSOEKMHDJF-NRFANRHFSA-N 399.918 4.664 0 40 GJAB Cc1ccc(C)c(CC(=O)Nc2cc(C)nn2-c2nc3c(F)cccc3s2)c1 21685715 SIPZELUROBXWSR-UHFFFAOYSA-N 394.475 4.728 0 40 GJAB COCCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccco1)CC[C@H](C)C3 22385841 MHGQECRBWUNUMD-LBPRGKRZSA-N 385.485 4.793 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[C@@H](C)CCC(C)C)cs1 23054907 ROGCPKRNFVVLDS-DBTPVHCXSA-N 385.533 4.782 0 40 GJAB O=C(Nc1nc[nH]n1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 28226104 HTNASRZDNRDXCC-UHFFFAOYSA-N 384.226 4.579 0 40 GJAB COc1cccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1 35291775 NZFZIJKDADINGO-UHFFFAOYSA-N 384.867 4.636 0 40 GJAB Cc1cccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1 35311818 MNOXHWFDLVMUCP-FRIKZZABSA-N 379.573 4.867 0 40 GJAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1)c1cccc(F)c1 36246357 FCAUAIJNWVIBIH-UHFFFAOYSA-N 375.852 4.875 0 40 GJAB COc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(OC)cc23)cc1 44168092 SMLHZAUEDDJADE-UHFFFAOYSA-N 391.471 4.622 0 40 GJAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](C)C4)cc3)cc2c1 57712725 SQZJWWRIFFROTC-QGZVFWFLSA-N 391.515 4.775 0 40 GJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCN(CC2CCCC2)CC1 58390498 OGUHJDGMARMJOP-KRWDZBQOSA-N 383.536 4.790 0 40 GJAB C[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)CC1 58425988 PMWHVEJTUDQLMK-MRVPVSSYSA-N 381.133 4.535 0 40 GJAB O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccccc1C(F)(F)F 60062857 HYAINVYFWCNEAE-INIZCTEOSA-N 375.350 4.686 0 40 GJAB Cc1ccc(NC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)c(F)c1 65565514 YXSCFWBTRMOTMB-UHFFFAOYSA-N 385.266 4.857 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)C[C@H](O)c1ccccc1 79103240 SIXBWGBIZRDZMC-ACJLOTCBSA-N 384.863 4.545 0 40 GJAB CC(=O)c1cc(C(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)n(C)c1 83815636 ODMHYLGBCQXRSV-JOCHJYFZSA-N 392.524 4.687 0 40 GJAB CC1=C[C@H](C)[C@]2(COC(=O)CN3CCCCC3)CO[C@@H](c3ccccc3)[C@H]1[C@H]2C 85867783 HNJMMPWWHNRBHV-MAOFURFTSA-N 397.559 4.622 0 40 GJAB biogenic CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 96053311 YRJFWSKEAHMOAJ-LJQANCHMSA-N 398.572 4.564 0 40 GJAB CN(Cc1ccc(F)c2cccnc12)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 106528109 CFYURJGRNNQFBF-UYAOXDASSA-N 391.273 4.771 0 40 GJAB C[C@@](O)(CNC(=O)c1ccc2ncsc2c1)c1ccc(-c2ccccc2)cc1 206702178 VXKXOOVYDQAMBS-HSZRJFAPSA-N 388.492 4.601 0 40 GJAB O=C(NCCOc1ccc(Cl)cc1)c1cccc(OCc2ccccc2)c1 224270044 RLNRDOWEKARJSB-UHFFFAOYSA-N 381.859 4.728 0 40 GJAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)c1C 225489506 CNOWMMJGKWDWHS-GOSISDBHSA-N 386.517 4.618 0 40 GJAB O=C(NCc1cccnc1-c1ccsc1)c1cccc(OC(F)(F)F)c1 225647355 YRHCJYLJSBVLHJ-UHFFFAOYSA-N 378.375 4.639 0 40 GJAB COc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1C(C)C 225692765 YWTKSYWEDGFDOJ-UHFFFAOYSA-N 381.925 4.601 0 40 GJAB Cc1ccccc1[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)C(C)C 225762237 CLYPXPURSAHOGK-NRFANRHFSA-N 381.545 4.806 0 40 GJAB COc1cccc(-c2nnsc2C(=O)Nc2ccc(Cl)cc2Cl)c1 225766128 YWAATQACZPHQGX-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CC(C)c1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 225771936 JTTGIJQAVVGMDR-UHFFFAOYSA-N 397.588 4.770 0 40 GJAB COC(=O)c1cccc(NC(=S)NCCCc2ccc(C(C)C)cc2)c1C 225806904 IHURLDFGHVHTSO-UHFFFAOYSA-N 384.545 4.824 0 40 GJAB CNc1ncccc1CN1CCCC[C@@H]1c1ccc(-c2cccc(OC)c2)nc1 257265406 LYNOIYJEZKLZLU-HSZRJFAPSA-N 388.515 4.921 0 40 GJAB Cc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4cccc(C)c4)OC3=O)cc2)cc1 408977793 YEGTXLDRTNBQME-JCMHNJIXSA-N 397.430 4.867 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2ccc(CNc3ccc(C)c(C)c3)cc2)cc1 409110720 YDFWTBFMGDUYBD-UHFFFAOYSA-N 381.497 4.992 0 40 GJAB COCC[C@H](Cc1ccco1)Nc1nnc(-c2ccccc2)cc1C(F)(F)F 1612240841 CJBPHAXXBNGUHJ-OAHLLOKOSA-N 391.393 4.815 0 40 GJAB COc1cc(Cl)c(S(=O)(=O)Oc2cccc3ccc(C)nc23)cc1Cl 1660435620 QAMNNGNYZFWMCW-UHFFFAOYSA-N 398.267 4.626 0 40 GJAB O=C(N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)Sc1ccccc1 826660 DHSJNJDPMPMLEM-OAHLLOKOSA-N 375.755 4.829 0 40 GJAB COc1ccc2nc3sc(C(=O)N4CCCc5ccccc54)c(N)c3cc2c1 917605 AFAZQSQEEHNCQW-UHFFFAOYSA-N 389.480 4.633 0 40 GJAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 1284916 IHEFRXNFEHBKIC-UHFFFAOYSA-N 392.249 4.784 0 40 GJAB CC(C)c1nc(SCC(=O)N2c3ccccc3C[C@@H]2C)c2ccccc2n1 1342868 PHSBPVWYMAHSKV-HNNXBMFYSA-N 377.513 4.823 0 40 GJAB CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2nc1Cl 1367670 NTGAISFFZKXCQN-UHFFFAOYSA-N 396.874 4.864 0 40 GJAB O=C(c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1)N1CCOCC1 1383348 UDLPYJKXGIPGBC-UHFFFAOYSA-N 398.431 4.516 0 40 GJAB O=C(Nc1cccc(I)c1)c1ccc(C(F)(F)F)cc1 2652005 MJCOFJUNPIIFAU-UHFFFAOYSA-N 391.130 4.562 0 40 GJAB O=C1S/C(=C\c2cccc(F)c2)C(=O)N1CNc1ccccc1C(F)(F)F 3087951 HDDLYMLONHITRP-DHDCSXOGSA-N 396.365 4.950 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 3242288 OZZZILJXSZIPRM-CYBMUJFWSA-N 395.377 4.894 0 40 GJAB CC(C)N(c1ccccc1)c1ccc(NC(=O)CSc2ncccn2)cc1 3295209 ZVWMTKBRXZNPTQ-UHFFFAOYSA-N 378.501 4.754 0 40 GJAB CCOc1ncccc1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 3296936 WSXPDUSJUMNJJM-UHFFFAOYSA-N 379.485 4.735 0 40 GJAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cc(Cl)cc(Cl)c1 3301704 MEPMMKQCQSIQNR-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1ccc(C(F)(F)F)cc1 3446209 QAZLYAJLHSCMRS-UHFFFAOYSA-N 376.205 4.914 0 40 GJAB CCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 3607087 OJQHTGIJVOWBLX-LBPRGKRZSA-N 380.271 4.842 0 40 GJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN=C1SCc1cccc(F)c1 4119892 IKAIWNOXSKINRH-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB Cc1cccc(C)c1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2ncccn12 4734110 DOKNSLNPGVYFII-UHFFFAOYSA-N 399.498 4.593 0 40 GJAB CCCCc1cc(=O)oc2c(C)c(O[C@@H](C(=O)OC)c3ccccc3)ccc12 4747467 ALMOGMUMKFLFLN-JOCHJYFZSA-N 380.440 4.737 0 40 GJAB CCCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4815077 CCOGLVOYNBKWKG-MOPGFXCFSA-N 380.879 4.799 0 40 GJAB Cc1cccc(-n2c(SCc3c(C)noc3C)nc3ccccc3c2=O)c1C 4929636 HELINCCIOMUAME-UHFFFAOYSA-N 391.496 4.900 0 40 GJAB Cc1cc(NC(=O)CSc2nc3cc(C)c(C)cc3c3c2CCCC3)no1 4968364 CPLXQZVBNAEDSD-UHFFFAOYSA-N 381.501 4.758 0 40 GJAB COc1cccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)c1 5035207 ZYWLQKGBQABJIZ-UHFFFAOYSA-N 381.439 4.565 0 40 GJAB Fc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)c(Cl)c4)nc32)cc1 5157142 CIPAQUAYWGDCEK-UHFFFAOYSA-N 399.216 4.576 0 40 GJAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(COc3cccc(C)c3)o2)cc1 5293578 SSHMCLTZKOGRPS-HNNXBMFYSA-N 397.500 4.639 0 40 GJAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc(Cl)c1 6052462 IZKWGMPCNADBDJ-UHFFFAOYSA-N 381.815 4.928 0 40 GJAB CSc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc3ccccc23)cc1 6362884 NTNWBCPSDCLEIA-SDNWHVSQSA-N 377.465 4.757 0 40 GJAB Cc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccc(Cl)cc3)C1=O)OCO2 8336779 MHMBSCTXLPJLJP-CAOOACKPSA-N 387.844 4.614 0 40 GJAB Cc1cc2nnc(SCc3nnc(-c4cccs4)o3)n2c2ccccc12 8346135 SWRICLOAUCUUCF-UHFFFAOYSA-N 379.470 4.595 0 40 GJAB CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 8498534 GNUMGNZITUVVJG-UHFFFAOYSA-N 394.496 4.962 0 40 GJAB CC[C@@H](CO)Nc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 8659760 FQERLCYQNHZVEB-AWEZNQCLSA-N 390.512 4.578 0 40 GJAB Fc1ccc(CSc2nncn2NCc2c(Cl)cccc2Cl)cc1 9193948 JBBJVQAJCWSTGF-UHFFFAOYSA-N 383.279 4.760 0 40 GJAB Cc1cc(OCCCC(=O)OCC(=O)Nc2ccccc2Cl)ccc1Cl 9248480 MHISNYPGHCTTTF-UHFFFAOYSA-N 396.270 4.643 0 40 GJAB COc1ccc(CNC(=O)C2(Cc3nc4ccccc4s3)CCCC2)cc1 9515052 RTONSTYWOQBGMK-UHFFFAOYSA-N 380.513 4.724 0 40 GJAB O=C(CSCc1cccc(Cl)c1)NCCSCc1ccccc1F 10280276 ACTULGISHPEBIR-UHFFFAOYSA-N 383.941 4.762 0 40 GJAB O=C(Cc1ccc2ccccc2c1)NCc1ccc(COCC(F)(F)F)cc1 11251373 LKLHRJOLIZOWJY-UHFFFAOYSA-N 387.401 4.778 0 40 GJAB Cc1nc(-c2ccccc2)c(CC(=O)N[C@@H](c2ccccc2)c2cccnc2)s1 12148255 SRWLWKBXEPTHLS-QHCPKHFHSA-N 399.519 4.962 0 40 GJAB COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1 12194569 KKXRNXMJXBUPIB-KNQAVFIVSA-N 388.423 4.617 0 40 GJAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3cccs3)n3ccccc23)cc1C 12342008 VYKBMXYGZKNVHV-UHFFFAOYSA-N 389.480 4.683 0 40 GJAB CCCCc1noc(CSc2nnc(-c3cccc(Br)c3)o2)n1 12737832 MXOBNJDDQPHXAE-UHFFFAOYSA-N 395.282 4.517 0 40 GJAB O=C(OCc1csc(-c2ccc(Cl)cc2)n1)C1C[C@@H]2CCC[C@H](C1)C2=O 13098449 LOKFPBAPDUSTMU-YIONKMFJSA-N 389.904 4.902 0 40 GJAB Cc1cc(O[C@@H](C)c2nn3c(=O)c4ccccc4nc3s2)cc(C)c1Cl 17078766 MWLOODVTDHTTCF-LBPRGKRZSA-N 385.876 4.714 0 40 GJAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCc4ccccc4C3)s2)cc1 17322083 JVSCMWGANKZTLK-UHFFFAOYSA-N 378.497 4.537 0 40 GJAB COc1ccc(CN2CN=C(c3ccccc3)N(c3ccc(C)cc3C)C2)cc1 19974141 ZCCOGLRRKGBMKC-UHFFFAOYSA-N 385.511 4.996 0 40 GJAB Cc1ccc2c(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3)cccc2n1 21595647 LSAMFMHZUJSYCO-XYOKQWHBSA-N 381.888 4.723 0 40 GJAB Cc1ccc([C@H](CNC(=O)c2oc3ccccc3c2C)N2CCC(C)CC2)o1 21659818 PSAAMDJFPSEABS-IBGZPJMESA-N 380.488 4.846 0 40 GJAB COc1ccc(NC(=O)[C@H](C)SC2=Nc3ccccc3CS2)cc1OC 22022507 BGPZQSWOIDTJTC-LBPRGKRZSA-N 388.514 4.699 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccc(Cl)cc1 22907816 ZLOJHALWYYFTNW-FQEVSTJZSA-N 396.943 4.931 0 40 GJAB O=C(/C=C/c1cccc2cccnc12)N1CCC(c2nc3ccccc3[nH]2)CC1 24746288 NBRQDQZXQDSGNK-ZHACJKMWSA-N 382.467 4.531 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)N[C@H]2CCCc3ccccc32)o1 27980332 YBSBUKUOEWMRIF-IBGZPJMESA-N 377.440 4.675 0 40 GJAB CCC1=C(O)[C@@H](CN2CCC(C)CC2)[C@H]2OC(=O)C=C(c3ccccc3)C2=C1 28120517 QSKDUZHVPFHIOF-QPPBQGQZSA-N 379.500 4.506 0 40 GJAB O=C(CCCCc1nc2ccccc2s1)N1CCO[C@H](c2ccccc2)C1 30765745 IVHQXLGPIJPPKP-IBGZPJMESA-N 380.513 4.609 0 40 GJAB C[C@@H](Sc1cc(C(=O)NC2CC2)c2ccccc2n1)c1nc(C(C)(C)C)no1 31784107 SJRQVCDAAMSUIR-GFCCVEGCSA-N 396.516 4.661 0 40 GJAB CC(C)N(C(=O)[C@@H](C)Sc1nnc(Nc2ccc(F)cc2)s1)C(C)C 32824136 TWWYIEBUCOFGGD-GFCCVEGCSA-N 382.530 4.547 0 40 GJAB CC(C)Sc1ncccc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 32933523 HNCYDGWSGSHHPH-UHFFFAOYSA-N 389.908 4.615 0 40 GJAB COc1c(Br)cc(Cl)cc1NC(=O)[C@@H](C)OCc1ccccc1 32937977 IKKYVGHYWIEPFP-LLVKDONJSA-N 398.684 4.655 0 40 GJAB CCn1nc(C)c2c(C(=O)Nc3c(C)noc3C)cc(-c3ccc(C)cc3)nc21 36613303 VALDWFOUNLHJDS-UHFFFAOYSA-N 389.459 4.592 0 40 GJAB NC(=O)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1 45919935 OJQKITVIRJMKTD-UHFFFAOYSA-N 386.032 4.663 0 40 GJAB CCOc1ccc(-c2csc(NC(=O)c3ccc(C)c(NC(C)=O)c3)n2)cc1 46019462 RHAPRNKAQJRPIC-UHFFFAOYSA-N 395.484 4.728 0 40 GJAB COc1cc(C(C)=O)ccc1OCCCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 47957551 IEMONVKDIUXJLI-HXUWFJFHSA-N 399.462 4.560 0 40 GJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 48323923 CGBLYWBTERMLIC-MRXNPFEDSA-N 378.497 4.800 0 40 GJAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1ccc(NC(N)=O)cc1 58365582 XPZBOPMYGCOLJT-UHFFFAOYSA-N 392.893 4.576 0 40 GJAB COc1cc2cc(C(=O)O)cc(-c3ccc(Br)cc3)c2cc1OC 62702278 ZONNQOORPKDNPS-UHFFFAOYSA-N 387.229 4.985 0 40 GJAB O=C(COc1nnc(-c2ccccc2)o1)Nc1c(Cl)cc(Cl)cc1Cl 70014491 XNONCKBBCFCVAO-UHFFFAOYSA-N 398.633 4.714 0 40 GJAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72214534 DEVYFPOJRSNIJW-IBGZPJMESA-N 395.503 4.820 0 40 GJAB C[C@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)Cc1cnn(-c2ccccc2)c1 72295520 JXCYJIRNVKSOAB-LJQANCHMSA-N 396.494 4.696 0 40 GJAB Cc1cc([C@H](O)CNCCCCCCOCCCCc2ccccc2)ccc1O 77286677 CRLOZJFZHGTJNG-RUZDIDTESA-N 399.575 4.924 0 40 GJAB in-vitro C[C@@H](CCCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NCCc1c[nH]cn1 83263719 DSYNOKVSDSJMLB-HNNXBMFYSA-N 396.457 4.538 0 40 GJAB in-vitro O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1C(=O)c1cccs1 95947439 ZEHBMUSFXBFCHV-UHFFFAOYSA-N 391.477 4.750 0 40 GJAB Cc1ccc(C2=C[C@@H](c3cccc(Oc4ccccc4)c3)n3nnnc3N2)cc1 102949365 XFEVBAKZZBPGMW-QFIPXVFZSA-N 381.439 4.830 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 136532260 SFBVRZJAXAOVQZ-CALCHBBNSA-N 396.874 4.580 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)COc2ccccc2C(C)(C)C)c1 222798338 SLBTYWNSPZYROI-UHFFFAOYSA-N 383.532 4.899 0 40 GJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 222949715 WZHWPWJTOGAYTM-LJQANCHMSA-N 398.572 4.502 0 40 GJAB COc1ccc(CCC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1OC 223340835 YLWNHIWAJWSEIP-QGZVFWFLSA-N 399.531 4.954 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1cccc2ccccc12 223552675 XSLPWDBPXXVTNQ-NRFANRHFSA-N 377.484 4.809 0 40 GJAB COc1ccc(S[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224340417 PSXHGGMYGIRGRU-MRXNPFEDSA-N 387.545 4.669 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccc(OC)cc1 225490516 JFNDCNJGRPPRHJ-IBGZPJMESA-N 397.544 4.568 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 225559086 QTNBYRSMYISOLC-OFNKIYASSA-N 394.559 4.650 0 40 GJAB Cc1ccc(SCCCNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225588880 KBJCEHONSAXAJR-UHFFFAOYSA-N 399.585 4.591 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 225802010 NZGFDELIGSJNTO-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB O=C(NC1CCCCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257336867 YQINIHJXAYTJBO-UHFFFAOYSA-N 378.516 4.537 0 40 GJAB CCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)c(OC)c2)N1 408989105 JWUTZLHWRCYUSO-FQEVSTJZSA-N 395.528 4.670 0 40 GJAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1OC 409016703 GUKCFEFKLSCUMX-ZRRZQRFHSA-N 383.897 4.971 0 40 GJAB Cc1cc(Br)cc(C)c1NC(=O)CSc1nc2ccccc2[nH]1 409178865 NYFQWXONAMQJBI-UHFFFAOYSA-N 390.306 4.673 0 40 GJAB O=C(C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 524039059 YGIGRMNDSGNOTE-NRFANRHFSA-N 375.855 4.697 0 40 GJAB COc1cccc(C2(NC(=O)Nc3cccc(-c4ncco4)c3C)CCC2)c1 585101644 CLRGOORBSJMORR-UHFFFAOYSA-N 377.444 4.860 0 40 GJAB Cc1cc(C)n([C@@H](CNC(=O)c2ccccc2C(F)(F)F)c2cccs2)n1 585148157 SCTJJZCSXDCCGH-INIZCTEOSA-N 393.434 4.600 0 40 GJAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CCCN1c1nc2ccccc2o1 618255740 XKQXTUHNVRQAFW-CQSZACIVSA-N 398.875 4.698 0 40 GJAB Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 667809485 JSAQEDGVYFLVOG-UHFFFAOYSA-N 382.851 4.781 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)CCc2ccc(F)cc2)CN1c1cccc(F)c1 1615117361 BGIMBFBXVYUOHF-XMMPIXPASA-N 398.497 4.948 0 40 GJAB COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1 1024728 ZEPMLMCDDNUTBI-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB COc1cc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)cc(OC)c1 1342747 MTJSTWXCGPHMMJ-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl 2351719 PIKNGVJZUILGDT-BXKMTCNYSA-N 388.231 4.690 0 40 GJAB Cc1ccc(S(=O)(=O)n2c3ccc(Cl)cc3c3nc(C)sc32)cc1 2362359 ODSGWCRAQSRWFO-UHFFFAOYSA-N 376.890 4.758 0 40 GJAB aggregator Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1 2581874 MDYFXDPQJYMYOH-UHFFFAOYSA-N 393.057 4.966 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)c3cc(OC)cc(OC)c3)sc2C)cc1 2640663 SLJBXMZSNDOGCK-UHFFFAOYSA-N 398.484 4.787 0 40 GJAB Clc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)cc1 2806554 RAPUVDCEQSEZQT-UHFFFAOYSA-N 376.803 4.770 0 40 GJAB Cc1ccc([C@H](NC(=O)Nc2nccs2)C(Cl)(Cl)Cl)cc1F 3177710 PGUUNWKXOREALF-JTQLQIEISA-N 382.675 4.824 0 40 GJAB COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1CN1CCCCCC1 4029281 MZVGBLCKPWUHLU-XMMPIXPASA-N 389.543 4.788 0 40 GJAB biogenic CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1-c1cccs1 4309108 NJZGOLPIXXUMJE-UHFFFAOYSA-N 386.546 4.560 0 40 GJAB C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc(F)cc1Cl 4767836 MXUCHKUPSQNSJH-NSHDSACASA-N 395.883 4.994 0 40 GJAB O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)Cc1ccccc1-2 4783789 BEWWARYSHQZSGR-QHCPKHFHSA-N 375.493 4.614 0 40 GJAB CCCCCS(CCCCC)=NS(=O)(=O)c1ccc(NC(C)=O)cc1 4976459 HAWMBPLADJJYJY-UHFFFAOYSA-N 386.583 4.516 0 40 GJAB COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 5127529 VMUXJRFNOAINTF-UHFFFAOYSA-N 376.456 4.633 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 6271522 OHYPBSLVUMBPNL-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB COc1cc2c(cc1NS(=O)(=O)c1ccc(C(C)=O)cc1)oc1ccccc12 6316546 PCOWJMBMURWTAT-UHFFFAOYSA-N 395.436 4.598 0 40 GJAB Cc1cc(NC(=O)c2ccccc2)ccc1N1C(=O)c2cccc(Cl)c2C1=O 6500946 NHDWPRXRWLNCJN-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(Cc2ccccc2F)n1N 6787049 RGFXDXZRLWZFSM-UHFFFAOYSA-N 398.551 4.928 0 40 GJAB Cc1ccc(F)c(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c1 8277938 XJMHDUAEYQCMRD-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB Fc1ccc(CNc2nnc(SCc3ccc(-n4cccn4)cc3)s2)cc1 8541669 YPNRSNOSDUHARM-UHFFFAOYSA-N 397.504 4.767 0 40 GJAB CCOc1cc(C(=O)N(Cc2ccccc2)c2ccccn2)ccc1OC(F)F 10814102 ZIFWLXYVPFRAGK-UHFFFAOYSA-N 398.409 4.929 0 40 GJAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cccc(/C=C/c2ccccn2)c1 12108289 QPDATPWPLRRZRD-FMIVXFBMSA-N 397.478 4.560 0 40 GJAB O=C(CCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 12537066 CRPMDUDBODAOHE-UHFFFAOYSA-N 384.442 4.841 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C(c1ccccc1)c1ccccc1 12567064 PZHZODKYEOTCHH-UHFFFAOYSA-N 395.506 4.722 0 40 GJAB CC[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3cccc(C)c3C)cc2C1 12751486 PIMZMMXATHTTBD-MRXNPFEDSA-N 384.545 4.591 0 40 GJAB O=C(NCc1ccccc1OC(F)F)c1cc2c(s1)-c1ccccc1OC2 12824884 FZFSTMOCAJXOCD-UHFFFAOYSA-N 387.407 4.839 0 40 GJAB CC(=O)Nc1ccc(SCc2nc(N)c3c4c(sc3n2)CCCCC4)cc1 12934188 HASTYSDICXIILZ-UHFFFAOYSA-N 398.557 4.793 0 40 GJAB Cc1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1F 12997962 DRQQTWSODVKOKT-UHFFFAOYSA-N 390.458 4.778 0 40 GJAB CCc1ccc(Cl)c(CC)c1NC(=O)Cc1ccc(OC)c(OC)c1OC 14092966 CCYSACOZDGFZNW-UHFFFAOYSA-N 391.895 4.672 0 40 GJAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O 14095513 NWJJMCMQQSDQHN-FQEVSTJZSA-N 375.516 4.817 0 40 GJAB Cc1nc(COc2ccccc2C(=O)Nc2cc(Cl)cc(Cl)c2)no1 14706632 FWSSYIHLMBWSRG-UHFFFAOYSA-N 378.215 4.516 0 40 GJAB O=C(/C=C\c1ccccc1)N(C(=O)/C=C\c1ccccc1)C(=O)c1ccccc1 16953628 LBJMEPDITUKEKV-YGGBKCGDSA-N 381.431 4.609 0 40 GJAB CC(=O)C1=NN(c2ccccc2)[C@@](Cc2ccccc2)(N2CCCCC2)S1 19205171 ZGVLCQSILMLAAX-JOCHJYFZSA-N 379.529 4.525 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(OC)c(OC)c1 20106297 PTYHAWBZUYAGMD-LJQANCHMSA-N 393.936 4.587 0 40 GJAB CCc1ccc(-n2nc3ccc(NC(=O)CSc4ccccc4)cc3n2)cc1 20610139 DGSLHMCDRLMFFZ-UHFFFAOYSA-N 388.496 4.714 0 40 GJAB Cc1ccc([C@H](Nc2ccc(Br)cn2)n2nc(C)c(Cl)c2C)o1 22027491 GUVZLGZDIZOFAQ-MRXNPFEDSA-N 395.688 4.871 0 40 GJAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 22381975 CNQZONCZGSJRJK-UHFFFAOYSA-N 391.805 4.604 0 40 GJAB c1ccc(CN2CCN(Cc3ccccc3)CCN(Cc3ccccc3)CC2)cc1 26507300 RZMJISBZZNJJSM-UHFFFAOYSA-N 399.582 4.507 0 40 GJAB CC(=O)c1sc(NC(=O)c2csc(-c3ccco3)n2)nc1-c1ccccc1 29541782 KATRXQMDCAHJPN-UHFFFAOYSA-N 395.465 4.982 0 40 GJAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1 31266276 BUGCIINILFZYFG-HXUWFJFHSA-N 389.480 4.986 0 40 GJAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1 32593800 DBKKKHDMYSGBDG-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(Cl)c1C)O[C@H](C)C2 32854014 HURUTYZIYUNRLK-OCCSQVGLSA-N 388.895 4.810 0 40 GJAB CC(C)(C)c1ccc(OCCCSCc2cc(=O)n3ccsc3n2)cc1 32909512 YLUJDHFQXRQSAA-UHFFFAOYSA-N 388.558 4.756 0 40 GJAB Fc1ccc(CNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)cc1 57761916 ZMQHZNIFSYYAAP-UHFFFAOYSA-N 379.826 4.938 0 40 GJAB Cc1ccccc1SCC(=O)N[C@H](c1nc(-c2ccccc2)no1)C(C)C 58003074 QHHLJNHJJIIBEZ-IBGZPJMESA-N 381.501 4.651 0 40 GJAB O=C(Nc1cnn(Cc2ccccc2)c1)Nc1cccnc1Oc1ccccc1 58175633 PYXCKMLGELMESC-UHFFFAOYSA-N 385.427 4.763 0 40 GJAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c1 68339502 RVVYNPGGXLXMHD-OAQYLSRUSA-N 393.462 4.521 0 40 GJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc(-c2ccccc2)no1 71844279 AWJLHNKMHBFDCF-SFTDATJTSA-N 389.499 4.854 0 40 GJAB CCCn1nc(C(=O)N(c2ccccc2)[C@@H](C)c2ccc(Cl)cc2)ccc1=O 72313253 JHXRVOWRQNLKKE-INIZCTEOSA-N 395.890 4.715 0 40 GJAB Cc1cc(OC(F)F)c(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)s1 84081705 NDKNDWOYNYOUNG-NSHDSACASA-N 387.835 4.605 0 40 GJAB Cc1cc(CN(C)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 84117019 KPAKEIGJGCJKQG-UHFFFAOYSA-N 381.276 4.685 0 40 GJAB CC(C)(C)c1nc2cc(NC(=O)Nc3ccc4oc(=O)ccc4c3)ccc2o1 84325175 GJXCIYLCSLFEDN-UHFFFAOYSA-N 377.400 4.876 0 40 GJAB O=C(c1cc(C2CC2)[nH]n1)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 84341436 UOWOSMHCGJAQLU-UHFFFAOYSA-N 376.287 4.914 0 40 GJAB Cc1nc(C)c([C@@H](C)NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)s1 89559083 PGDPTJIBAYWTEU-MRXNPFEDSA-N 391.540 4.814 0 40 GJAB S=C(Nc1ccccc1)NC1C[C@@H]2CCC[C@@H](C1)N2CCc1ccccc1 100425369 DWWLHYFUJMEAKN-VXKWHMMOSA-N 379.573 4.601 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)C[C@H](c2ccccc2O)C1 102625465 ADUZBXJVJSOBOG-RNODOKPDSA-N 392.846 4.702 0 40 GJAB CCOc1cccc2sc(NC(=O)c3ccc(N4CCCCC4)cc3)nc12 141554843 UQMJPPINETYTLM-UHFFFAOYSA-N 381.501 4.938 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2ccccc2)CC1 206989716 IRWHXLJSOGOTAS-GOSISDBHSA-N 395.446 4.791 0 40 GJAB COc1ccc(OC)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1 210198051 UUPXSIGVHXLYAC-CXUHLZMHSA-N 375.833 4.598 0 40 GJAB COC(=O)c1cccc(NC(=O)CCCSc2ccc(Cl)cc2)c1C 222686977 OIQSPFKTGRLOHH-UHFFFAOYSA-N 377.893 4.946 0 40 GJAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224422377 BRRBKMJMOVRWJJ-VQTJNVASSA-N 380.492 4.780 0 40 GJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)c1 224539106 GTEHCSPKFQTMRD-NHCUHLMSSA-N 392.528 4.650 0 40 GJAB CCOCc1cc(C(=O)Nc2ccccc2Br)ccc1OCC 224694840 ROAAKPWEECCCJB-UHFFFAOYSA-N 378.266 4.637 0 40 GJAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225660753 JAXOYXNDKUTAJS-QGZVFWFLSA-N 395.572 4.856 0 40 GJAB O=C(NC[C@H](O)c1csc2ccccc12)Nc1ccccc1C(F)(F)F 225699394 AYBVWMNRVTWXAW-HNNXBMFYSA-N 380.391 4.775 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccccc1C 225758925 JOJQYOLAHZLUEE-IBGZPJMESA-N 381.545 4.868 0 40 GJAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc12 225876902 MOCIDFXWADPJIY-UHFFFAOYSA-N 396.874 4.584 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccc(-c2ccsc2)cc1 253402680 ONDGCANJDMSYNT-LJQANCHMSA-N 398.553 4.528 0 40 GJAB O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 524735585 LRZYCZWFSHHFHS-PMACEKPBSA-N 390.512 4.769 0 40 GJAB CCc1nc2ccccc2n1Cc1noc([C@@H]2C[C@H]2c2cccc(F)c2F)n1 546595510 ACRKKDUSXPGQIZ-UONOGXRCSA-N 380.398 4.579 0 40 GJAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2ccccc2SC(F)F)C1 575615010 AUKFCVIIJKBCEH-AWEZNQCLSA-N 387.455 4.747 0 40 GJAB CC(C)N(C(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3)C(C)C 928933 FJCNKRKSUSMBTA-ZDUSSCGKSA-N 377.579 4.554 0 40 GJAB CCc1ccc2nc3sc(C(=O)Nc4ccccc4OC)c(N)c3cc2c1 1342808 LVKYRJRJMWDODL-UHFFFAOYSA-N 377.469 4.855 0 40 GJAB Cc1ccc2c(c1)C(COC(=O)N[C@@H](CC(C)C)C(=O)O)c1cc(C)ccc1-2 1541054 SEHPSBSPFWAVPK-NRFANRHFSA-N 381.472 4.641 0 40 GJAB investigational CSc1nc(NCCc2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 2235083 IDFZSRUCPGFZHS-UHFFFAOYSA-N 385.558 4.919 0 40 GJAB Fc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)c(Cl)c4)nnc32)cc1 2408513 UDKOOHTUXQQQMO-UHFFFAOYSA-N 399.216 4.576 0 40 GJAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21 2709651 ALJGRHYIRGOXGI-UHFFFAOYSA-N 386.517 4.586 0 40 GJAB Cc1cc(C(=O)CSc2nc3ccccc3s2)c(C)n1C[C@@H]1CCCO1 3328517 GWNMLQNVUXRKJC-HNNXBMFYSA-N 386.542 4.869 0 40 GJAB COc1ccc(C(C)=O)cc1CSc1nnc(NCc2ccccc2)s1 3361494 CZGWPOJMLUBSMG-UHFFFAOYSA-N 385.514 4.654 0 40 GJAB Cc1cccc(CSC2=NCCN2C(=O)c2cccc(Br)c2)c1 4120207 MVZLRWOLNCLBGL-UHFFFAOYSA-N 389.318 4.503 0 40 GJAB CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 5235774 NFNCDLOEEOWIKQ-SJORKVTESA-N 377.488 4.612 0 40 GJAB COc1ccccc1CNC(=O)c1oc2ccccc2c1COc1ccccc1 5459413 CIFYPVKSOLREFI-UHFFFAOYSA-N 387.435 4.950 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@@H](c2cccc(Cl)c2)NC(=O)N1 5942640 HVRLBNKSTUYVGB-QGZVFWFLSA-N 390.270 4.568 0 40 GJAB COc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1Br 6262860 ROKAKVARBTUDBX-UHFFFAOYSA-N 378.266 4.745 0 40 GJAB CC(=O)Oc1ccc([C@]2(c3ccc(F)cc3)OC(=O)c3ccccc32)c(C)c1 6484629 ARWYVQDENBNRMX-QHCPKHFHSA-N 376.383 4.522 0 40 GJAB CCOc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(Cl)cc2)cc1 6870308 GZWIWALZNHNYOX-UHFFFAOYSA-N 388.920 4.921 0 40 GJAB Cc1n[nH]c(=S)n1NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 7541597 ADHSEMCOBOKHSX-UHFFFAOYSA-N 394.475 4.864 0 40 GJAB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)O)N2 8092260 ZKQRSWXPQQAGFH-SEDUGSJDSA-N 383.831 4.651 0 40 GJAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(COc2ccccc2)cc1 8324825 ICPONGJQZSOBLY-UHFFFAOYSA-N 386.451 4.645 0 40 GJAB CN(C(=O)c1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccccc1 8375275 FKODGSXKXDYVTG-UHFFFAOYSA-N 378.859 4.547 0 40 GJAB O=C(CN(C1=NCCCS1)c1ccccc1)c1ccc(Br)cc1 8436112 IQKQDOXVILGUFP-UHFFFAOYSA-N 389.318 4.631 0 40 GJAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 8907722 JKABOWZQOXBNTD-UHFFFAOYSA-N 392.480 4.678 0 40 GJAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccncc2)c(C)c1 9281199 PYYWLUPOPRKMQZ-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB O=C(c1cc(-c2csc(Cc3nc4ccccc4s3)n2)c[nH]1)N1CCCC1 9595062 SGCNTVQGPLGLTQ-UHFFFAOYSA-N 394.525 4.575 0 40 GJAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 10338133 MUTKXUOWMVDVIU-UHFFFAOYSA-N 378.516 4.837 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(F)cc2F)N1c1ccc2c(c1)OCCO2 12631826 JPOMWXPSHCQSKJ-OAQYLSRUSA-N 394.377 4.507 0 40 GJAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Cc1ccccc1 12756476 HAFGBZFASUXPSB-UHFFFAOYSA-N 384.273 4.910 0 40 GJAB C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 12772850 RZOUMGXGFJZWKC-ZDUSSCGKSA-N 391.298 4.540 0 40 GJAB COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CCCc2ccccc21 12809503 KIPGENBSHONZEO-GOSISDBHSA-N 388.305 4.536 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@]12C 13409223 WHQYZHCEDYYAAN-DWMFYTIHSA-N 388.548 4.894 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 13708618 VEBDSQJDPOVURI-CYBMUJFWSA-N 383.831 4.686 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(Br)c1 13988039 TUUXBMZCNBXIGD-UHFFFAOYSA-N 386.648 4.822 0 40 GJAB Cn1c(SCc2ccccc2Cl)nnc1-c1ccc2c(c1)OCCCO2 15867242 CCMSSCGVNUXSPA-UHFFFAOYSA-N 387.892 4.589 0 40 GJAB Cc1ccccc1NC(=O)Cn1c(-c2nnc(CC(C)C)o2)cc2ccccc21 15881555 HXICQVQHTTWVNW-UHFFFAOYSA-N 388.471 4.837 0 40 GJAB CCCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC)cc2OC)cc1 16635148 YQUFXFFYIAGYEZ-UHFFFAOYSA-N 399.487 4.874 0 40 GJAB O=C(Nc1ccccc1N1CCCC1)c1cccc(OCc2cscn2)c1 16708874 QECAQUUULWRTTE-UHFFFAOYSA-N 379.485 4.575 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1Cl 20492054 VJQGAZKQZCZSJQ-RDTXWAMCSA-N 388.895 4.664 0 40 GJAB Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCCCC2)cc1 22852357 DLGXPBAZEPOBPT-KRWDZBQOSA-N 394.500 4.640 0 40 GJAB O=C1c2ccccc2C(=O)N1CCSCc1ncc(-c2ccc(Cl)cc2)o1 24937371 MCJKKMOQGISGSS-UHFFFAOYSA-N 398.871 4.524 0 40 GJAB C[C@H]1CCC2=[N+](CC1)[C@](O)(c1ccc(Cl)cc1)CN2c1ccc(Cl)cc1 27525380 UYKISXLFLZCPPW-YCRPNKLZSA-N 390.334 4.890 0 40 GJAB Cc1[nH]c(SCC(=O)N[C@@H](c2cccs2)C(C)C)nc1Cc1ccccc1 29239923 WHDLBXHXSXHSPY-HXUWFJFHSA-N 399.585 4.976 0 40 GJAB COc1ccc(SCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 30870163 BSXNQKNTVBPOFF-OAHLLOKOSA-N 387.545 4.971 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 30872211 RJZDSPVIGJHARW-OAHLLOKOSA-N 376.294 4.631 0 40 GJAB O=C(c1cc(SCc2ccc(Cl)cc2)nc2ccccc12)N1CCOCC1 32837485 FNFJVUXPUVZSIO-UHFFFAOYSA-N 398.915 4.653 0 40 GJAB COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38835068 VMJPMPVQETUMCV-OAHLLOKOSA-N 393.314 4.853 0 40 GJAB O=C(COCc1nc2ccccc2s1)Nc1ccccc1SC(F)F 39980566 YADYDVKTPANIKS-UHFFFAOYSA-N 380.441 4.766 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(Br)cc1 40002601 AUGLELXPNMLYIA-ZIAGYGMSSA-N 391.309 4.526 0 40 GJAB O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C[C@H](O)c1ccc(Cl)cc1 40050618 FMHGBAMKDQRBRR-FQEVSTJZSA-N 394.833 4.590 0 40 GJAB O=C(CCCc1ccccc1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 40132593 AYJACJVXAADZBZ-UHFFFAOYSA-N 392.478 4.772 0 40 GJAB Cc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c(Br)c1 42710567 TXINAEHMJQFTSY-UHFFFAOYSA-N 376.298 4.839 0 40 GJAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1ncn(-c2ccccc2)c1=S 57395314 MKUHQUWZERTHNV-UHFFFAOYSA-N 378.423 4.512 0 40 GJAB CCOc1ccc2cc(CNc3ccc(N4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2c1 57712713 KZBJLTQRZFZCCT-QGZVFWFLSA-N 391.515 4.775 0 40 GJAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)CC1 64875500 HTSDVPCIXNLNGS-UHFFFAOYSA-N 384.524 4.884 0 40 GJAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2ccccc2)cc1 70636430 USYNXIFFRHDRQA-NRFANRHFSA-N 385.385 4.534 0 40 GJAB CCOC(=O)c1sc2ncnc(N[C@H]3CCC[C@H](C(F)(F)F)C3)c2c1C 71795514 KWLWEDYYNDSHCL-QWRGUYRKSA-N 387.427 4.709 0 40 GJAB O=C(c1cccc(N2CCCC2=O)c1)N(Cc1ccccc1)Cc1ccccc1 71808838 DYMZWKKTFNYNNO-UHFFFAOYSA-N 384.479 4.656 0 40 GJAB CN(C(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1cnn(C)c1 72296683 CTRIWWRMOAZFGJ-UHFFFAOYSA-N 394.525 4.599 0 40 GJAB FC(F)(F)c1cccc(-c2cncc(C3CCN(Cc4ccccn4)CC3)n2)c1 72359436 CJXZCPHELISTOE-UHFFFAOYSA-N 398.432 4.937 0 40 GJAB O=C(Cc1csc(-c2cccnc2)n1)N1C[C@@H]2CCCC[C@]21c1ccccc1 79103532 RHBNBZDNQOZRTA-CVDCTZTESA-N 389.524 4.676 0 40 GJAB Cn1cnc(-c2cccc(NCc3ccc(-c4nc5ccccc5s4)o3)c2)n1 96009190 VVWMSSUEMURZFY-UHFFFAOYSA-N 387.468 4.964 0 40 GJAB CCCCN(C)C(=O)c1ccnn1-c1ccc2ccc(-c3ccc(F)cc3)cn12 96155282 CTNCOVQIXPLXMZ-UHFFFAOYSA-N 390.462 4.803 0 40 GJAB CC(C)(C)OC(=O)N1CC[C@@]2(CCc3cc(OCc4ccccc4)ccc3O2)C1 96319634 YIDLHEZMBXSYKH-DEOSSOPVSA-N 395.499 4.970 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)c(C)c1 96860818 CBGREQOMTJMTEW-IGHDPAQPSA-N 392.480 4.535 0 40 GJAB O=C(Nc1ccccc1-c1cn2ccsc2n1)c1ccc(Cn2ccnc2)cc1 206893630 VMDHPEMJRSVZLE-UHFFFAOYSA-N 399.479 4.560 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 222801117 CQXIMUKRJZNRQM-RTBURBONSA-N 381.526 4.818 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C(C)C 225012818 FLHFNZYJZFRAHN-RTWAWAEBSA-N 382.577 4.996 0 40 GJAB Nc1c(-c2cccc(Br)c2)c(C(F)(F)F)nn1-c1ccccc1 225181083 JZDXTLUHPDSHEJ-UHFFFAOYSA-N 382.183 4.903 0 40 GJAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c2ccccc2O1 225590393 VLEIDQCEVSDTIZ-UZLBHIALSA-N 383.488 4.661 0 40 GJAB COc1cccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3Cl)n2)c1 225823084 MDSMGYAZSIWYBZ-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2ccc(N)cc2Br)cc1Cl 227157328 ZLWNNAFEROCAQU-UHFFFAOYSA-N 390.064 4.599 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)c1 408697287 IMQNHGKUHXZODS-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 409027388 BUWFMWMFXQZXCY-INIZCTEOSA-N 382.529 4.868 0 40 GJAB CCOc1c(I)cc(CNc2ccc(C)cc2)cc1OC 409114881 LTEIKOJAQVXNJQ-UHFFFAOYSA-N 397.256 4.619 0 40 GJAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)cc1 409330805 MVVHMSDOZGFACM-WOJGMQOQSA-N 398.459 4.624 0 40 GJAB CCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cccnc1C(F)(F)F 574780312 NSIYKVOOUZWTGH-LBPRGKRZSA-N 398.406 4.618 0 40 GJAB Cc1nn(CCNC(=O)c2ccccc2SC(F)F)c(C)c1-c1ccco1 575615600 RCZRPWUQMOCEPQ-UHFFFAOYSA-N 391.443 4.505 0 40 GJAB O=C(O)c1cccc2c1CCN2C(=O)OCC1c2ccccc2-c2ccccc21 1535639519 KOHDIWMSCOCPOD-UHFFFAOYSA-N 385.419 4.696 0 40 GJAB COc1ccccc1NC(=O)c1sc2nc3c(C)ccc(C)c3cc2c1N 877018 DWXJTSYEPJWKOP-UHFFFAOYSA-N 377.469 4.909 0 40 GJAB COc1ccc(-c2csc(NC(=O)COc3ccccc3C(C)C)n2)cc1 959345 VKXBJCZJAGYZSG-UHFFFAOYSA-N 382.485 4.960 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccccc2)sc(C)c1CC 995611 FZUULAUDPHYQLK-MRXNPFEDSA-N 375.490 4.592 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CC[C@H](CC)C2 1102466 LIPCXWZKLBCXHH-ZDUSSCGKSA-N 387.501 4.701 0 40 GJAB O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc(Cl)cc1 1245739 JTASLAQDAOBYCD-HSZRJFAPSA-N 387.866 4.980 0 40 GJAB CCOC(=O)c1cnc(SC)nc1Nc1cc(C(F)(F)F)ccc1Cl 1398540 UEZPLJHGXUAISY-UHFFFAOYSA-N 391.802 4.791 0 40 GJAB COc1ccc([C@@H]2SCCN2C(=S)Nc2ccc(OC)c(Cl)c2)cc1 1441203 UGHCKBOVMNFQKF-KRWDZBQOSA-N 394.949 4.802 0 40 GJAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccc(F)c(F)c1 2264626 CCAQVPVKWYSEQF-UHFFFAOYSA-N 391.468 4.579 0 40 GJAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 2362995 JYPPVUWAUVRLFQ-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB O=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1cccc2ccccc12 2401214 HKGUTTKEIBKJKJ-HXUWFJFHSA-N 386.234 4.559 0 40 GJAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N(C)c1ccccc1 2645449 AVLSHADTBZNOSP-GFCCVEGCSA-N 388.493 4.564 0 40 GJAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1cccc(Cl)c1 2661288 ZDGAGNZXQRCODX-UHFFFAOYSA-N 379.869 4.875 0 40 GJAB CCCCc1ccc(NC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1 2723179 CRQILVPZWBXPGP-UHFFFAOYSA-N 395.528 4.954 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc2ccccc2cc1O 3262133 CEOLMPFYVYSAHW-UHFFFAOYSA-N 377.440 4.773 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 3402103 OVPKNPKLXDMTDO-LJQANCHMSA-N 387.479 4.648 0 40 GJAB O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)s1 3443004 RKLBDOFVUIXTCI-UHFFFAOYSA-N 391.945 4.902 0 40 GJAB Cc1cccc(CSC2=NCCN2C(=O)c2ccccc2Br)c1 4120206 SJAUZVANKBZJIV-UHFFFAOYSA-N 389.318 4.503 0 40 GJAB Cc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 4816517 PLRMZPUORWIHTI-PKTZIBPZSA-N 394.478 4.968 0 40 GJAB Cc1cccc(C)c1NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O 5237465 JHIPHIWOUTYEPX-UHFFFAOYSA-N 395.462 4.973 0 40 GJAB Cc1cc(C)c2sc(N(CCN(C)C)C(=O)CSc3ccccc3)nc2c1 5239650 GGSLGPBQOGIBTC-UHFFFAOYSA-N 399.585 4.600 0 40 GJAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)c(OC)c1 5320615 FYZWDURMACDDJS-URXFXBBRSA-N 386.451 4.946 0 40 GJAB C[C@H](OC(=O)c1ccc2ccccc2n1)C(=O)Nc1cc(Cl)cc(Cl)c1 5844898 IHXMZAYPKRHDEK-NSHDSACASA-N 389.238 4.726 0 40 GJAB CCOc1ccccc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 6038241 ZUTFTFWEXNNAHA-UHFFFAOYSA-N 390.439 4.624 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3cc(OC)c(C)c(OC)c3)sc2C)cc1 6279935 MXLNAZFWOVNSPE-UHFFFAOYSA-N 398.484 4.705 0 40 GJAB C[C@H]1CCCCN1C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6455736 QMKMVZFOTCWUDB-BERWSQRFSA-N 383.576 4.769 0 40 GJAB Cc1ccc(-c2noc(CN(C(=O)COc3ccccc3Cl)C(C)C)n2)cc1 6736973 FNZLTBCPFGAMBS-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB Cc1nc(Cc2nnc(SCc3cc4ccccc4nc3Cl)o2)cs1 6879099 GRBFTWBUXLXDHE-UHFFFAOYSA-N 388.905 4.919 0 40 GJAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Cl 7071449 MPVOYUCYDVCVHX-IYSPOMMRSA-N 398.890 4.919 0 40 GJAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(F)cc1 7160827 NVLVSRHQCANXCJ-SNVBAGLBSA-N 395.381 4.907 0 40 GJAB C[C@H](NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C(=O)N1CCCC1 8278681 GGUQUFMJOJZONL-LPHOPBHVSA-N 395.934 4.554 0 40 GJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccc(F)cc3)ccc1O2 9135361 WSLJHMJGBMWYHZ-UHFFFAOYSA-N 376.387 4.769 0 40 GJAB CC[C@@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)Nc1ccc(F)cc1 10867312 QUWSENWMJAGTDZ-GOSISDBHSA-N 399.491 4.626 0 40 GJAB Cn1c(C[C@@H](NC(=O)c2ccc(F)cc2F)c2ccccc2)nc2ccccc21 12627369 LCYRZJKXGFXIQM-HXUWFJFHSA-N 391.421 4.565 0 40 GJAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)c(F)c2)c(OC)c1 12632328 YEDHMVHLMZEFQR-OAQYLSRUSA-N 396.393 4.753 0 40 GJAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1 12894187 ZFCVFGKZBSDBSC-UHFFFAOYSA-N 390.814 4.569 0 40 GJAB Cc1cc(C(=O)COc2ccccc2Br)c(C)n1-c1nccs1 12918944 AVVQFJQRMOASJL-UHFFFAOYSA-N 391.290 4.575 0 40 GJAB C[C@@H]1CCCCN1C(=O)COC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 13055847 QKNFYPZAKVIFEL-WNSCPLKPSA-N 397.902 4.825 0 40 GJAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2cccc(F)c2)c(OC)c1 13786351 FAACTDGNFHHGQS-GMKZXUHWSA-N 399.506 4.711 0 40 GJAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 15974974 PEEFZWHLGWFFPV-OAHLLOKOSA-N 377.510 4.974 0 40 GJAB CCc1nn2c(C)c(C(=O)Nc3cccc(Cl)c3)nnc2c1-c1ccccc1 20633683 XDXPLKYNMXOCSR-UHFFFAOYSA-N 391.862 4.568 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1Cl 22907714 YAGMJGHDSUTAAF-HXUWFJFHSA-N 396.943 4.931 0 40 GJAB COc1ccc(CN(C)C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1F 24581135 CAQPFBOIPRCXRR-UHFFFAOYSA-N 390.414 4.915 0 40 GJAB CSc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1 27795225 HBBJXGXGECANHX-UHFFFAOYSA-N 378.482 4.728 0 40 GJAB Cc1cc(/C=C/C(=O)N(C)Cc2ccsc2)c(C)n1-c1ccnn1C(C)C 31492495 RHVOCKQDUHMDMU-VOTSOKGWSA-N 382.533 4.605 0 40 GJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-n2cccc2)ccc1Cl 32102127 MYCRUNSKYLERQO-UHFFFAOYSA-N 393.918 4.525 0 40 GJAB Cc1ccc(-c2nnc(SCc3ccc(Br)cc3)nc2O)cc1 32778592 FHNYUVQJNKEMGD-UHFFFAOYSA-N 388.290 4.607 0 40 GJAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 35105593 LPTCXUNKCOMXID-VBKZILBWSA-N 391.496 4.783 0 40 GJAB Cc1nc2ccc3nc(NC(=O)c4cc(-c5ccco5)on4)sc3c2s1 36709403 UMODUSRRQAVSNG-UHFFFAOYSA-N 382.426 4.715 0 40 GJAB O=C(NCCCN1c2ccccc2Sc2ccccc21)c1cccnc1S 36834799 SURZIEMKQHROLV-UHFFFAOYSA-N 393.537 4.793 0 40 GJAB CC[C@@H]1c2ccsc2CCN1C(=O)CCc1nnc(-c2ccc(C)cc2)o1 39996897 QBPOMJDEJHLHOC-QGZVFWFLSA-N 381.501 4.575 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1cccnc1)Cc1ccco1 40050051 QTLYFGOJIYDBJH-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB Cc1cc(C)cc(NCCC(=O)N[C@@H](C)c2cccc(Br)c2)c1 40152807 BNVTYNAXOAZIAQ-HNNXBMFYSA-N 375.310 4.745 0 40 GJAB C[C@H](CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc(C(F)(F)F)cc1 57388927 PEFIQWYIMCFJGV-SECBINFHSA-N 392.299 4.545 0 40 GJAB Cc1ccc2nc(COc3cccc(C(=O)Nc4ccc(F)cc4F)c3)cn2c1 58441111 ILKOFJLHRQQMBU-UHFFFAOYSA-N 393.393 4.752 0 40 GJAB Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)c1 59418698 CIKLSOBRDHMXKB-LQDNNDEMSA-N 399.877 4.742 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3cccnc3Sc3ccccc3)c2)no1 64330695 NHRWZNSFWBXZJB-UHFFFAOYSA-N 388.452 4.844 0 40 GJAB O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1Cc1ccccn1 67259363 MGIPBGAYFWLWGO-UHFFFAOYSA-N 393.899 4.786 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)C12CCCCC2 79491680 XEMGXVUBMQTGHC-NRFANRHFSA-N 391.515 4.619 0 40 GJAB O=C(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ncoc1[C@H]1CCCO1 84525569 AVAYDMWVNSRTKL-GOEBONIOSA-N 395.484 4.507 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cc4c(cc3F)NC(=O)CC4)n2)c(C)c1 95970862 HPPQOBNPUWCKTM-UHFFFAOYSA-N 395.459 4.703 0 40 GJAB C[C@@H](NC(=O)c1cc(Br)ccc1OC(F)F)[C@@H]1C[C@@H]2CC[C@@H]1C2 102003644 NCROOAVJCNIGNZ-UZWSLXQKSA-N 388.252 4.605 0 40 GJAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc(Br)c1 102706627 NKEZPWKLBKGRCC-RNIPGJKVSA-N 398.300 4.631 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)CC(C)(C)O2 219060028 IREUZYKUQLWCIT-SUMWQHHRSA-N 389.879 4.535 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219359081 QZMIHVUHJZEUJU-WOJBJXKFSA-N 383.488 4.580 0 40 GJAB CC1(C)CCc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2O1 223659195 AYSLASOCSOPMEE-UHFFFAOYSA-N 385.407 4.610 0 40 GJAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)c1 224290805 IUXTYPJRUZFVSJ-SFTDATJTSA-N 376.529 4.820 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C(=O)OCC 225808205 GVSNHUGCYYOKTI-KSFYIVLOSA-N 391.508 4.576 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225825068 VRVNYXQKUMUEIN-ZHRRBRCNSA-N 393.524 4.965 0 40 GJAB CCc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 408618099 BXZBJJYACLOPKY-UHFFFAOYSA-N 390.508 4.955 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(Cl)cc1 408678991 HFUYFPYROAUSIJ-LJQANCHMSA-N 377.937 4.855 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(C)c3)n2)c1 408698114 NTDQRQSAGKONBD-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB Cc1cccc(NC(=O)c2ccc(OC(=S)N3CCC(C)CC3)cc2)c1C 408721106 CVVHFVZBYDTUKI-UHFFFAOYSA-N 382.529 4.951 0 40 GJAB Cc1cccc(-n2cccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1 409096044 FHPPKTJCNCRERZ-CPNJWEJPSA-N 377.831 4.536 0 40 GJAB Cc1nnc(CN(C)C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)s1 664439510 YNFYMEHFVFWSTM-SFHVURJKSA-N 392.956 4.963 0 40 GJAB COC(=O)[C@H]1CN(c2ccc3ccc(C(F)(F)F)cc3n2)Cc2ccccc21 1151702669 VCWACIHCLWAYKD-KRWDZBQOSA-N 386.373 4.530 0 40 GJAB CC(C)OCCNC(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccc(C(C)C)cc1)O2 2037875002 HRRWZEJCKQHULG-RUZDIDTESA-N 395.543 4.901 0 40 GJAB COC(=O)/C(=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1)c1ccccc1 701957 JQPHHQUNMORZMI-CJLVFECKSA-N 388.419 4.628 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 943617 UYBHLDGVNHSDDC-LLVKDONJSA-N 377.893 4.955 0 40 GJAB CCOc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 1336703 PCTYGCXYSUZHFR-UHFFFAOYSA-N 386.879 4.866 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nc(C(C)C)nc2ccccc12 1342918 ZWJAXOGTVKFXNT-UHFFFAOYSA-N 381.501 4.883 0 40 GJAB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)NC1CCCC1 1381400 QKFGCJVJZLNJOY-UHFFFAOYSA-N 399.947 4.889 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)cc1 1505672 IFTAJKKOYUCIRF-XDHOZWIPSA-N 382.485 4.808 0 40 GJAB COC(=O)c1cccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c1 1787136 IAPMEZQGMPSPOE-UHFFFAOYSA-N 375.852 4.541 0 40 GJAB Cc1nc2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc2n1C 2375403 UWXAGEXYGQYYBP-UHFFFAOYSA-N 381.483 4.892 0 40 GJAB O=C(c1ccc(CN2CCCCC2)cc1)c1ccc(Br)cc1F 2514524 OENCMKGUIJAPMV-UHFFFAOYSA-N 376.269 4.805 0 40 GJAB Cc1ccc(CONC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)cc1 2794487 XOTCDHRXKVVJIV-UHFFFAOYSA-N 385.847 4.990 0 40 GJAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3)C[C@@H]21 4038096 CBDXQNJHOXWFAA-CVDCTZTESA-N 378.472 4.524 0 40 GJAB biogenic CC(C)N1C(=O)[C@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 4554688 WJBHVZAQEQZEOM-VWLOTQADSA-N 385.463 4.569 0 40 GJAB CSc1nsc(SC)c1NC(=O)Nc1ccc(Br)cc1 4680890 REZTUZHGNOMUEU-UHFFFAOYSA-N 390.353 4.993 0 40 GJAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)NCCC1=CCCCC1 4997121 UXJWIOVUANSLSI-AWEZNQCLSA-N 396.516 4.705 0 40 GJAB CCOC(=O)c1ccc2nc(Nc3nc4c(OC)cccc4s3)sc2c1 5025731 UUJYMNASEMCRCK-UHFFFAOYSA-N 385.470 4.835 0 40 GJAB CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 5043608 GLCOOPMJKXAGSA-IOASZLSFSA-N 396.413 4.541 0 40 GJAB CC(C)(C)NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 5255550 GEPZJQSUGLDWRM-UHFFFAOYSA-N 377.560 4.874 0 40 GJAB O=C1OCC[C@@H]1Sc1ncc(-c2ccc(Cl)cc2)n1Cc1ccccc1 5982241 FORDMLWYGGJSGO-SFHVURJKSA-N 384.888 4.659 0 40 GJAB CCc1cccc(C)c1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 6543924 ABWSEHHTRUODAK-UHFFFAOYSA-N 387.479 4.949 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1OC 6588787 XALXDWXXXMNVBJ-UHFFFAOYSA-N 379.441 4.561 0 40 GJAB Cn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2ccccc21 6649211 MIDMOFMGSWFDTB-UHFFFAOYSA-N 387.508 4.571 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CC[C@H](C)C4)cc1 6728168 SCMFUFIYNJICEY-AWEZNQCLSA-N 385.485 4.757 0 40 GJAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Cl 7078345 MPVOYUCYDVCVHX-UZUMKDMXSA-N 398.890 4.919 0 40 GJAB CCCNC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 7781805 IVVMOXDYPXHMLR-UHFFFAOYSA-N 376.888 4.644 0 40 GJAB CCN(Cc1ccc(OC)c(F)c1)c1nc(C(F)(F)F)nc2ccccc12 7989566 RBIMQWMRRMBAKW-UHFFFAOYSA-N 379.357 4.823 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2c(c1)CCCC2 8061340 IQQMFDPTVDXBIU-UHFFFAOYSA-N 386.499 4.803 0 40 GJAB O=C1OC(c2ccccc2)=N/C1=C/c1cccc(OCCCOc2ccccc2)c1 8381075 JSQIFGZZCBWTGD-PTGBLXJZSA-N 399.446 4.879 0 40 GJAB Cc1nc2cc(C(=O)N[C@H]3CCOc4ccccc43)ccc2n1-c1ccccc1 8391087 VTTMQGNAQOMKCY-FQEVSTJZSA-N 383.451 4.588 0 40 GJAB O=C(c1ccc(SC(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 11201998 FVECXOATOKTZSK-MRXNPFEDSA-N 391.439 4.750 0 40 GJAB Cc1cccnc1NC(=O)c1cc(C(C)C)n(-c2nc3ccccc3s2)n1 12223581 XZMFTEOHOFVWLZ-UHFFFAOYSA-N 377.473 4.561 0 40 GJAB FC(F)(F)c1nnc2ccc(NCc3ccc(-c4ccc(Cl)cc4)o3)nn12 12866515 AGTDHDLWEUKERN-UHFFFAOYSA-N 393.756 4.669 0 40 GJAB CC(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 12931991 CAMJQAZTHPLZIG-QHCPKHFHSA-N 390.508 4.537 0 40 GJAB CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1 14609715 HFHPWLNEPGAAST-UHFFFAOYSA-N 386.430 4.888 0 40 GJAB O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2ccccn2)CC1 16638069 XLPFMEIKPBCSRS-UHFFFAOYSA-N 392.311 4.566 0 40 GJAB Cc1ccc(S[C@H]2CSc3nc(C)cc(=O)n3[C@H]2c2ccccc2)cc1 16779219 YRISKBSJAJBYEM-ICSRJNTNSA-N 380.538 4.716 0 40 GJAB CCc1ccccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 16884409 RJGIZSRUJBFVTC-UHFFFAOYSA-N 386.495 4.893 0 40 GJAB COc1ccc(N2CCn3c(SCc4c(F)cccc4Cl)nnc32)cc1 16954005 KCNUOQPAHQDQGZ-UHFFFAOYSA-N 390.871 4.523 0 40 GJAB CC(C)n1ncc2cc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cnc21 17526031 WCTVDMLLQJECNG-UHFFFAOYSA-N 394.406 4.576 0 40 GJAB COC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1C 18051369 MOWIRKFTLLFILK-UHFFFAOYSA-N 398.311 4.960 0 40 GJAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3F)CC[C@@H]21 19349219 ULIUBZCVGLSIEF-ONTIZHBOSA-N 398.547 4.504 0 40 GJAB Cc1cc(-c2csc(NC(=O)c3cc4ccccc4oc3=O)n2)c(C)s1 20015024 KIKRRDLXFLNJGE-UHFFFAOYSA-N 382.466 4.847 0 40 GJAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1OC 20460879 GREUXDRMZQEABL-CQSZACIVSA-N 375.490 4.610 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(OCc2ccccc2Cl)c1 22258068 PDGRGITWYNHMDL-UHFFFAOYSA-N 381.815 4.900 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc(C)c2C)ccc1Cl 22535069 XFOISHMWPLYBCB-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB CCc1ccc2oc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc(=O)c2c1 27795114 XIPHCNLNGZGIIS-UHFFFAOYSA-N 387.435 4.791 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)CSCc2nc3ccccc3s2)cc1 28326269 ZTSZXTPAVDWEDS-GOSISDBHSA-N 398.553 4.902 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 28574421 FPTCLHBWLDIUGL-UHFFFAOYSA-N 393.796 4.785 0 40 GJAB CC(C)[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1cccs1 31708069 ARRWOVAKUDSIEQ-KRWDZBQOSA-N 375.519 4.696 0 40 GJAB C[C@H](OC(=O)CSc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1 32744894 KIAGJBASDCAFTE-NSHDSACASA-N 384.284 4.656 0 40 GJAB O[C@@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc2ccccc2o1 33434053 SWRIVBZGYURLCG-HXUWFJFHSA-N 397.356 4.846 0 40 GJAB COc1ccc(CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 35040419 JOKWRKQRVNUWFQ-SFQUDFHCSA-N 389.929 4.793 0 40 GJAB COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)c(C)nn12 36615748 ONHOFXIAOHIUBR-UHFFFAOYSA-N 377.831 4.812 0 40 GJAB Cc1nc(/C=C/C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cs1 36697886 TTYOTICHMNGSEU-VMPITWQZSA-N 378.501 4.642 0 40 GJAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccno2)cs1 44919732 QZUZUMAVQJZKHA-UHFFFAOYSA-N 375.258 4.511 0 40 GJAB Cc1cc(C)c(OCC(=O)Nc2c(C)cc3nc(N)sc3c2C)c(Cl)c1 45890334 YCTODMOVLHALOK-UHFFFAOYSA-N 389.908 4.783 0 40 GJAB CCC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078828 LUTPMLXWGVBNEU-HNNXBMFYSA-N 384.907 4.851 0 40 GJAB O=C(NCCc1cccs1)c1ccc(OCc2nc(C3CC3)cs2)cc1 56907827 ZXQXLMZTAKLLKL-UHFFFAOYSA-N 384.526 4.634 0 40 GJAB CC[C@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486738 SOEMMIKWOCLUGO-KRWDZBQOSA-N 398.894 4.650 0 40 GJAB O=C(CCC(=O)N1CCC[C@H]1c1cccc(Br)c1)c1ccccc1 57995432 OHOANNHLUQKOLD-SFHVURJKSA-N 386.289 4.776 0 40 GJAB CC(C)(C)c1ncc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cn1 64328235 TUMYORZHVMBKSW-UHFFFAOYSA-N 383.455 4.637 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)c1 67257387 PVRFGTMBLIRFJC-UHFFFAOYSA-N 381.476 4.939 0 40 GJAB O=C(CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c12)Nc1ccccc1F 71328174 KYSLMSOBUHTWJE-UHFFFAOYSA-N 396.422 4.634 0 40 GJAB O=C(Nc1ncc(-c2ccccc2)s1)N1CCC[C@H]1C[C@H](O)c1ccco1 89851260 OEJSIOALKFMWEN-HOTGVXAUSA-N 383.473 4.523 0 40 GJAB O=C(OCc1cc(Cl)cc2c1OCOC2)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102412882 PWGHZMXPGRUYIO-CJKMCJCZSA-N 397.298 4.828 0 40 GJAB O=C(Oc1cccc2ccccc12)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 109127707 CDDZVCVTJUWASF-SFTDATJTSA-N 399.446 4.739 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(F)cc3)N21 222706750 BEVXHTJTOFBBND-TYCQWZJGSA-N 392.503 4.991 0 40 GJAB CC[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCC2 223124582 OSCSSOXROFPLOP-OAQYLSRUSA-N 379.500 4.537 0 40 GJAB CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223920771 SGDIOSLHYKGRCP-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1Cl 225473912 KBRSLWXQSOJLDO-NSHDSACASA-N 380.872 4.703 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCCCC1 225709324 BCACJCSMKTYLIA-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB O=C(Nc1nc2ccccc2s1)[C@H]1C[C@H]2C[C@H]1[C@@](F)(C(F)(F)F)C2(F)F 254311285 DFAPUXWLYQUGGJ-GMAGZHIISA-N 394.340 4.797 0 40 GJAB CCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 408622390 PDCKJSABFKCZGB-UHFFFAOYSA-N 395.484 4.688 0 40 GJAB Cc1ccc(COc2ccc(/C=C3\NC(=O)N(C4CCCCC4)C3=O)cc2)cc1 409088791 YENZFQKAUBUWDX-JCMHNJIXSA-N 390.483 4.799 0 40 GJAB C[C@@H]1CCC[C@@H](CC(=O)N[C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)C1 504253450 ZRUVWWVAUWBSDR-KZNAEPCWSA-N 379.504 4.728 0 40 GJAB Cc1ccc(-n2ncc3c(N)c4c(nc32)C[C@@H](c2ccccc2C)CC4=O)cc1C 618255916 BTMLESCKTWBFQM-QGZVFWFLSA-N 396.494 4.841 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)NCC1(N2CCCCC2)CCCCC1 1665461130 WNPIRPOZGPSFST-UHFFFAOYSA-N 397.485 4.693 0 40 GJAB Fc1ccc(Cc2nnc3sc(-c4ccccc4C(F)(F)F)nn23)cc1 632798 CJSYOTSWNVYIGN-UHFFFAOYSA-N 378.354 4.602 0 40 GJAB CCOc1ccc(N(Cc2ccc(OC)c(OC)c2)C(=O)c2ccco2)cc1 873713 FRYNFBVFLAKDOC-UHFFFAOYSA-N 381.428 4.543 0 40 GJAB COc1cc(NC(=O)CSc2nc3c(C)cccc3cc2C)cc(OC)c1 875727 FJNVFPGMNUJXJG-UHFFFAOYSA-N 382.485 4.600 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(C)n1CCc1ccccc1 891400 YQSDAWLPZMQRED-KRWDZBQOSA-N 394.544 4.565 0 40 GJAB Fc1ccc(NCc2nnc(SCc3ccccc3)n2C[C@H]2CCCO2)cc1 899978 IQYAGCYZESHHMF-LJQANCHMSA-N 398.507 4.501 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccccc3)C2=O)cc1OCC 2119849 YZNWBBJBTAFQCP-CPNJWEJPSA-N 398.484 4.590 0 40 GJAB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1cccc(C(F)(F)F)c1)CO3 2125714 JSSMGRYHQWQJFR-UHFFFAOYSA-N 375.346 4.785 0 40 GJAB biogenic CCCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1OC 2395533 NXLSVIWXZAKSDP-UHFFFAOYSA-N 385.514 4.585 0 40 GJAB COc1ccccc1N(Cc1ccccc1Cl)S(=O)(=O)c1cccs1 2647030 HVXXPSSJGRKOHB-UHFFFAOYSA-N 393.917 4.806 0 40 GJAB Cc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1C 2919611 FTFNSWZPOJLMFL-ZWKOTPCHSA-N 383.293 4.804 0 40 GJAB CC(C)c1ccccc1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1 3262155 ZZRREKUIWIRXES-UHFFFAOYSA-N 389.879 4.803 0 40 GJAB CCc1ccc(-n2c(SCc3c(C)noc3C)nnc2-c2ccncc2)cc1 3290036 AAWLDWVROYHWLN-UHFFFAOYSA-N 391.500 4.789 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)Nc1nc2c(s1)CCCC2 3361033 SXNGNHXIMMPQDL-VAWYXSNFSA-N 396.491 4.615 0 40 GJAB O=C1CS[C@H](c2cccc(Br)c2)N1c1nc2ccccc2s1 4700351 LBUNXIKKRGZGQP-OAHLLOKOSA-N 391.315 4.837 0 40 GJAB COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CC[C@H](C)C4)cc1 4735793 WVPZOPLJXQLRTN-ZDUSSCGKSA-N 385.485 4.675 0 40 GJAB O=C(CSc1ncnc2c1cnn2Cc1ccccc1)c1ccccc1Cl 5577275 MYHFKWMOTPCGBD-UHFFFAOYSA-N 394.887 4.503 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)NCCOc2cccc3ccccc23)cc1 5642417 KRMXTKGXAWZQLY-UHFFFAOYSA-N 377.484 4.711 0 40 GJAB O=C(Nc1ccccc1C(=O)Nc1nc2c(s1)CCCC2)c1ccccc1 5938935 VEFUTJYSYLVMMC-UHFFFAOYSA-N 377.469 4.527 0 40 GJAB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)c2C)cc1 6329517 HNKSPWWQZVPACA-OPFWHPALSA-N 391.515 4.705 0 40 GJAB O=C1/C(=C/Nc2cccc(O)c2)c2ccccc2C(=O)N1c1ccccc1Cl 6455171 DEMZSJLLFIVDNT-QGOAFFKASA-N 390.826 4.686 0 40 GJAB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(Br)o2)S1 6570500 CNKLGSAWTAJOPJ-LCYFTJDESA-N 377.263 4.687 0 40 GJAB CCc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 6752785 MOKXJLTUCQAREX-HSZRJFAPSA-N 399.450 4.683 0 40 GJAB Cc1cc(C)c(Cn2c(CCNC(=O)c3ccco3)nc3ccccc32)c(C)c1 6753059 SGXYMWLEIVDGEL-UHFFFAOYSA-N 387.483 4.575 0 40 GJAB COc1ccc(C2=NN(C(=O)CSc3ccccc3)[C@H](c3ccco3)C2)cc1 6838494 LZJYLSHVUCJYHG-FQEVSTJZSA-N 392.480 4.758 0 40 GJAB Cc1cc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c(C)n1C 7160752 VZFBSQJOOCKLKJ-UHFFFAOYSA-N 379.407 4.579 0 40 GJAB O=C1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccc(F)cc1 7544990 CBVYSBCDJOBVHT-IBGZPJMESA-N 399.469 4.939 0 40 GJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1CCc1ccccc1 7780741 BLNAYHBASNRGLA-UHFFFAOYSA-N 397.478 4.794 0 40 GJAB CCN(CC)Cc1ccccc1CNC(=O)c1sc(-c2ccsc2)nc1C 7946888 LXNHWIPVVPMVFD-UHFFFAOYSA-N 399.585 4.952 0 40 GJAB O=C(CNc1ccccc1N1CCCCC1)NC(c1ccccc1)c1ccccc1 8189630 SFOHEUYEJAIXMH-UHFFFAOYSA-N 399.538 4.995 0 40 GJAB Cc1cccc(OC(=O)C2[C@@H](c3ccccc3)C(C(=O)O)[C@H]2c2ccccc2)c1 8464907 DXSMLZYGZQMMFC-OIRDZHBESA-N 386.447 4.799 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)NCCc2ccc(C(C)C)cc2)CC1 9062559 HJUMHWOWWBQXTG-UHFFFAOYSA-N 378.560 4.689 0 40 GJAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCCc3ccco3)cc12 9533771 REPWZGCYDZQRAN-UHFFFAOYSA-N 399.903 4.673 0 40 GJAB Cc1ccc2nc(N(Cc3ccncc3)C(=O)COc3ccccc3)sc2c1 10254278 BLIKZKCPDMSALE-UHFFFAOYSA-N 389.480 4.612 0 40 GJAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(F)c(F)c2F)cs1 11370820 PNWDROCYHGYCED-UHFFFAOYSA-N 392.402 4.807 0 40 GJAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCOc1ccccc1 11667382 CHFNIWLRHAVLQX-KRWDZBQOSA-N 389.455 4.589 0 40 GJAB CCn1/c(=N\C(=O)c2c(OC)cccc2OC)sc2c3ccccc3ccc21 12180917 CIDLXTVXVFMOQA-GHVJWSGMSA-N 392.480 4.634 0 40 GJAB Cc1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1C 12440869 XZZMXCHNTWHEHW-UHFFFAOYSA-N 395.890 4.599 0 40 GJAB C[C@H]1CN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C[C@@H](C)O1 12524194 SBDVFZIHJIAPTG-OKILXGFUSA-N 392.471 4.994 0 40 GJAB COc1ccc([C@H](NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c2ccccc2)cc1 12819028 XRGANJYHLMWXIN-FGZHOGPDSA-N 393.870 4.558 0 40 GJAB COc1ccc(OCCSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)cc1 12854664 VUDMKHDTQXFHDB-ZDUSSCGKSA-N 390.436 4.528 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 12882174 JSHQPQIENQIACS-SJORKVTESA-N 380.513 4.778 0 40 GJAB c1ccc(-c2nc3c4c5c(sc4nc(NCc4ccco4)n3n2)CCC5)cc1 13722863 VZMKPFAGUVMTRK-UHFFFAOYSA-N 387.468 4.700 0 40 GJAB Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 13777550 LTACZDKDYJJZSE-YKSBVNFPSA-N 384.435 4.966 0 40 GJAB CCOc1ccccc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C 14856939 ZTKZLNRUOMSZIQ-UHFFFAOYSA-N 386.448 4.821 0 40 GJAB CC(C)(C)C(=O)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 19082214 CEYCOLSSXGZRNN-UHFFFAOYSA-N 386.499 4.745 0 40 GJAB Cc1ncsc1C(=O)NC1CCN(C[C@H](c2ccccc2)C2CCCC2)CC1 19562259 WUJCTQOLPJOKQO-OAQYLSRUSA-N 397.588 4.620 0 40 GJAB COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc(OC)c1OC 19933842 LCBNESQWNIZYCF-QFIPXVFZSA-N 391.467 4.540 0 40 GJAB CC(C)C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 20048124 DHTMTUOFJBSJLX-SFHVURJKSA-N 376.294 4.732 0 40 GJAB CCOc1ccccc1OCC(=O)Nc1ccccc1CN(C)C1CCCCC1 26492381 CFBBATFVKMQSLG-UHFFFAOYSA-N 396.531 4.867 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1cccc(F)c1 26741439 CNGYVULDENODEZ-FLSMSTFGSA-N 391.490 4.776 0 40 GJAB Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)oc2ccccc12 27747669 KPRKIFZSEYRPMF-IBGZPJMESA-N 382.891 4.962 0 40 GJAB COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C)cc2)c(OC)c1OC 32731076 YFWXYNVIVCGKOK-UHFFFAOYSA-N 391.467 4.868 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1C 32808962 AVYWNVJNFWEMIG-OAHLLOKOSA-N 396.487 4.949 0 40 GJAB Cc1cccc(NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)n1 32879604 OOFPSXCFLYVVMW-UHFFFAOYSA-N 385.471 4.943 0 40 GJAB CCc1ccc(-c2noc(CCC(=O)N(C)Cc3cccc(Cl)c3)n2)cc1 32895532 FWSFRMKTWGEZPE-UHFFFAOYSA-N 383.879 4.544 0 40 GJAB CC(C)(C)[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 32935944 IGOMOKLNPXUBMS-QFIPXVFZSA-N 379.548 4.738 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2C)cc1 33758028 HCJPMPZUPINCOL-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)cn1-c1ccc(F)cc1 67245355 HVQRCDNXRDQMIF-UHFFFAOYSA-N 383.382 4.847 0 40 GJAB CC(C)c1nccn1Cc1cccc(NC(=O)N[C@](C)(CO)C2CCCCC2)c1 79015154 PQHOCSVEUKMQFT-HSZRJFAPSA-N 398.551 4.508 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1ccncc1)c1csc(-c2cccs2)n1 84525075 QDCRWGANJHVIRG-SFHVURJKSA-N 377.494 4.786 0 40 GJAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCc1nc2ccccc2[nH]1 95480339 MYQJFNLLFAILDN-KRWDZBQOSA-N 392.890 4.508 0 40 GJAB COc1ccccc1[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)OC 96384729 AJJKWZQYBZHTKP-HXUWFJFHSA-N 387.907 4.664 0 40 GJAB CCc1cccc(C)c1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 98211276 XIQINALCLXZYLE-UHFFFAOYSA-N 386.455 4.715 0 40 GJAB Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3C2CCCCC2)cc1 100424403 PEFKMGWGCHBOKS-WOJBJXKFSA-N 375.557 4.830 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219616409 LLKMTLKUNWBKCS-SFHVURJKSA-N 399.878 4.514 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1C1CCCC1 222825206 DHLBZFQESXZCFX-NHCUHLMSSA-N 382.577 4.996 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 222942998 AAYBAPBGTVDZTC-NHCUHLMSSA-N 376.529 4.501 0 40 GJAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(SC)cc2)cc1C(C)C 223305892 WNVDLLOOFMJRJO-HNNXBMFYSA-N 393.574 4.888 0 40 GJAB COc1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)cn1 224003015 XISNWTZECLWENV-UHFFFAOYSA-N 389.952 4.932 0 40 GJAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)cc1Cl 224542226 BKMRBSFYHQJKIA-MRXNPFEDSA-N 377.868 4.637 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(-c2cccnc2)nc1 225765581 DINPKHYNXFSATM-UHFFFAOYSA-N 393.490 4.982 0 40 GJAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C)n1 225862882 BFXAKLFYOLDVET-UHFFFAOYSA-N 388.895 4.519 0 40 GJAB Cc1cc(C)nc(Nc2ccc(C(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)n1 225913345 NGMHZSFTOZVBPJ-OAHLLOKOSA-N 380.879 4.981 0 40 GJAB O=C(Nc1ccc(Br)cc1F)c1cc2cccc(Cl)c2oc1=O 226039679 ZFMRCTPARKVUAD-UHFFFAOYSA-N 396.599 4.600 0 40 GJAB Nc1ccc(F)c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 226365479 XFFKSLBOTMWZNE-UHFFFAOYSA-N 375.197 4.683 0 40 GJAB CCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(C)cc1 408563153 UHNTYYQELGGYAT-FCQUAONHSA-N 380.513 4.857 0 40 GJAB CSc1nc(N2CCCC2)c2cc(C(=O)N[C@@H](C)c3ccccc3)sc2n1 408616972 AWCHAQDMLUXFLH-ZDUSSCGKSA-N 398.557 4.504 0 40 GJAB COc1ccc(C(=O)Nc2cccc(CN(Cc3ccccn3)C3CC3)c2)cc1 585084587 JLJJAIFRTPDZKA-UHFFFAOYSA-N 387.483 4.507 0 40 GJAB O=C(NCc1ccncc1)[C@@]12C[C@H]3C[C@H](C[C@@](c4ccc(Cl)cc4)(C3)C1)C2 936069004 CAOTVXGYTWCKQE-SGNKAXLRSA-N 380.919 4.889 0 40 GJAB CCCc1nc(SCC(=O)N2CCC[C@@H](C)C2)c2c(C)c(C)sc2n1 1372196 OZALIMJLGKUBLX-GFCCVEGCSA-N 377.579 4.611 0 40 GJAB COc1ccc(-c2nnc(SCC(=O)c3ccco3)n2-c2ccccc2)cc1 3226284 XOCMPSULRVHHTA-UHFFFAOYSA-N 391.452 4.511 0 40 GJAB Cc1ccc2c(CSc3nc4ccccc4c(=O)n3C(C)C)cc(=O)oc2c1 3568251 UIZJFJPWBRAKOM-UHFFFAOYSA-N 392.480 4.685 0 40 GJAB CCOC(=O)C1=C(C)N=C2SC=C(c3ccccc3)N2[C@H]1c1ccccc1 4660615 GLMSPFYXFPLBRT-FQEVSTJZSA-N 376.481 4.982 0 40 GJAB CC(C)(C)c1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1 4818199 IXNQFBWSIZNTPP-UHFFFAOYSA-N 384.501 4.590 0 40 GJAB O=C(CSc1nnc(C2CC2)n1C1CC1)N(Cc1ccco1)C1=CCCCC1 5401692 YBUSQEQDJGZTAU-UHFFFAOYSA-N 398.532 4.662 0 40 GJAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2ccccn2)N1 5447007 FOQUXPJUOFOZQB-HXUWFJFHSA-N 384.464 4.614 0 40 GJAB COc1ccccc1NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl 6748006 UWVWNHIRUXPAJX-UHFFFAOYSA-N 399.903 4.992 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)c2ccc(F)cc2)cc1OCCC 6811503 OTDGQXGEDFYNKG-UHFFFAOYSA-N 399.422 4.706 0 40 GJAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2C)cc1 7939997 VDPLKZPDUXTENK-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB CC[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NCc1ccccc1 8724184 KJFDIXFQAZKAEB-AWEZNQCLSA-N 388.842 4.941 0 40 GJAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3c(F)cccc3Cl)cc21 8959462 QQDYOXCYLLTBCL-UHFFFAOYSA-N 390.842 4.503 0 40 GJAB CC[C@@H](C(=O)Nc1nnc(/C=C/c2ccc(OC)cc2)s1)c1ccccc1 9327815 UVZYIZZIYNWEPN-GPZRYRNASA-N 379.485 4.849 0 40 GJAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc(C2CC2)nn1-c1ccccc1 9428817 UZOXKSPRAYEIAH-SFHVURJKSA-N 393.487 4.856 0 40 GJAB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1ccc(-c2ccccc2)cc1 9617063 ZVWZXWCJVCLUBL-UHFFFAOYSA-N 389.842 4.576 0 40 GJAB CC(C)C[C@@H](NC(=O)Cc1cccc(F)c1)c1nc2cccnc2n1C(C)C 12114120 YAJZWZKBHJLSSH-LJQANCHMSA-N 382.483 4.597 0 40 GJAB O=C(C[C@@H]1C=CCC1)NCCCCOc1ccc(OCc2ccccc2)cc1 12971682 OTBKTPGCRFTDBL-HXUWFJFHSA-N 379.500 4.897 0 40 GJAB O=c1[nH]c(CN2CCC[C@@H]2c2nc3ccccc3s2)nc2ccc(Cl)cc12 12984115 BWGLAFPORYUDOD-MRXNPFEDSA-N 396.903 4.523 0 40 GJAB CC(C)n1ncc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cnc21 12997944 FKTDZCYNWNOWFL-NSHDSACASA-N 393.274 4.725 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1OC 13012378 XWDBBANAGBAAIX-UHFFFAOYSA-N 384.476 4.721 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13685267 NNMWSXVJMGXRRM-IAGOWNOFSA-N 390.483 4.774 0 40 GJAB O=C(c1c[nH]c2ccccc12)[C@H](NCCOc1ccccc1F)c1ccccc1 14074884 BPJHFLYBOZLCBT-HSZRJFAPSA-N 388.442 4.900 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 14153136 IMEYSIGMCZACCU-UHFFFAOYSA-N 393.295 4.885 0 40 GJAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)c1ccc(F)cc1 15419268 RNQPJFSLXWDEKZ-CYBMUJFWSA-N 379.273 4.528 0 40 GJAB CN(C(=O)CSc1nc2ccccc2n1-c1ccccc1)C1CCCCC1 15980859 KSEWJMUYUQQJCY-UHFFFAOYSA-N 379.529 4.909 0 40 GJAB COc1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1OC 16227444 NOVGBRTXQJUPMY-UHFFFAOYSA-N 377.484 4.615 0 40 GJAB Sc1nnc(CSCc2ccccc2Cl)n1CCc1ccccc1 17076894 STUZJVHIBFXBFB-UHFFFAOYSA-N 375.950 4.896 0 40 GJAB O=c1[nH]c(CN2CCC[C@H]2c2nc3ccccc3s2)nc2cc(Cl)ccc12 23883116 OLITVBRYUFPJKJ-INIZCTEOSA-N 396.903 4.523 0 40 GJAB c1ccc(-c2nnc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1 24601900 LJQYRDXTOZPAPI-MRXNPFEDSA-N 376.485 4.726 0 40 GJAB O=C(Nc1ccccc1O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 24926713 INNKKBOXQMTGHJ-UHFFFAOYSA-N 381.741 4.502 0 40 GJAB CCOc1ccccc1CCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 25399972 NQTQDXDRXFLTMQ-UHFFFAOYSA-N 378.428 4.502 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1cc3cc(OC)ccc3nc1C)O[C@H](C)C2 25821607 WLDAUAKZZGJORJ-CYBMUJFWSA-N 392.455 4.526 0 40 GJAB O=c1nc(SCc2ccc(Cl)cc2)c2c(n1CCc1ccccc1)CCC2 27994311 WOZBYKUXKZUOSP-UHFFFAOYSA-N 396.943 4.920 0 40 GJAB Cc1ccccc1-n1c(S[C@@H]2CCCCCC2=O)nc2ccccc2c1=O 29328441 JHEAFFBDDHOSFL-HXUWFJFHSA-N 378.497 4.688 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1Cl 30862695 AXYGKLVBGMMRMK-SFHVURJKSA-N 388.895 4.666 0 40 GJAB c1ccc(-c2ccc(-c3nn4c(CN5CCCCC5)nnc4s3)cc2)cc1 39389223 HRJGSNUXEMWQNE-UHFFFAOYSA-N 375.501 4.506 0 40 GJAB COc1cc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc(Cl)c1OC 40135189 LXXQKTBPVUOELB-UHFFFAOYSA-N 389.854 4.816 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1Cl 51364570 PTERAOYEYWVRFV-KRWDZBQOSA-N 378.859 4.807 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 53782691 HUXKFQABAOXCLA-IBGZPJMESA-N 382.460 4.616 0 40 GJAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)[C@H]1CCCC[C@@H]1C(F)(F)F 56096832 ZRJLUTGDZISDBZ-HOTGVXAUSA-N 388.393 4.704 0 40 GJAB CCn1cc(-c2nc(-c3cccc(Br)c3)no2)c(=O)c2ccccc21 57354765 FRJUPEHPHSPTGX-UHFFFAOYSA-N 396.244 4.501 0 40 GJAB CC(C)OC(=O)Cc1nc(CSC2=Nc3ccccc3CS2)cs1 63562062 AEUQRKZMPLRAQA-UHFFFAOYSA-N 378.544 4.805 0 40 GJAB CCN(CC)[C@@H](CNC(=O)c1[nH]c2ccccc2c1Cl)Cc1ccccc1 70020079 XTBRYKOWJCXTIQ-QGZVFWFLSA-N 383.923 4.504 0 40 GJAB Cc1nc2ccc3nc(NC(=O)Nc4ccc5c(c4)OCO5)sc3c2s1 70655595 DGWKIXNJBJTWTC-UHFFFAOYSA-N 384.442 4.587 0 40 GJAB c1cc(Nc2cnccn2)nc([C@@H]2CCCN2Cc2cccc3ncccc23)c1 72375738 QZDNQPUFOIBCQA-NRFANRHFSA-N 382.471 4.501 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)c1nnc(-c2ccccc2)s1 78968358 WKIAMFJBYQIUSA-HNNXBMFYSA-N 395.528 4.933 0 40 GJAB Cc1ncc(Cl)c(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)n1 92093271 KFAMLHIQTICHHL-DOMZBBRYSA-N 383.801 4.523 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc2ncccc2c1 95350873 IHWZTMJCADHDLQ-UHFFFAOYSA-N 380.810 4.774 0 40 GJAB CCN(Cc1cnc2ccccn12)C(=O)NC(c1ccccc1)c1ccccc1 96025080 HSKZAQWTDODBHT-UHFFFAOYSA-N 384.483 4.655 0 40 GJAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(CC4CC4)CC3)cc21 96267183 ZIDPFTCOPYSUGP-UHFFFAOYSA-N 375.520 4.664 0 40 GJAB Cc1cc(C)c(C)c(OCC(=O)NCCSCc2ccc(Cl)cc2)c1 218964784 YETZBLYJWFHXIJ-UHFFFAOYSA-N 377.937 4.694 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(F)cc3)N21 222706877 BEVXHTJTOFBBND-MAODMQOUSA-N 392.503 4.991 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 222929522 XSBGCJJDIDYZOE-NHCUHLMSSA-N 376.529 4.501 0 40 GJAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1 223784311 OZHINMHXDGFRPT-RBUKOAKNSA-N 381.526 4.719 0 40 GJAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 223882898 HMKGLYHLESIJBG-OALUTQOASA-N 394.569 4.695 0 40 GJAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(OC)c(C)c1 225190572 YQRJVDHPKXCZDD-HTAPYJJXSA-N 381.516 4.917 0 40 GJAB COc1ccc(NC(=S)NCCCc2ccccc2Cl)c2cccnc12 225542681 ALJOBMGLEMPINN-UHFFFAOYSA-N 385.920 4.816 0 40 GJAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1ccc(Oc2ccccc2)cc1 225750845 BFWXLGQVPJMTEC-UHFFFAOYSA-N 388.398 4.572 0 40 GJAB COc1ccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2Cl)cc1 226288273 DEZFRRHDAVBFMC-UHFFFAOYSA-N 392.842 4.761 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c(C)c1 243218144 KJBKLNGVJSQTAB-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CCC23OCCO3)C1 253595455 DPBGWNOQXKBDCB-YAQSTLMLSA-N 376.537 4.704 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](c2cccc(-c3ccc(C(=O)O)cc3)n2)C1 257204198 ATMDDJNBYQZDEP-KRWDZBQOSA-N 382.460 4.561 0 40 GJAB CCCC(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccncc2)CC1 257257092 KOBOTSYYTXHXBK-UAPYVXQJSA-N 380.536 4.852 0 40 GJAB CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 408601944 CMMMUKNZLXRSLZ-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 408656283 HNSWEKRWLDFJNM-SFHVURJKSA-N 379.500 4.950 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccccc2C)cc1 408699040 UHKKATBFCAXFDO-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB COCCn1c(SCc2ccccc2F)nnc1-c1ccc(Cl)cc1 409108334 WDYVKCDIQMZXKU-UHFFFAOYSA-N 377.872 4.676 0 40 GJAB O=C(Nc1ccc2[nH]ccc2c1)[C@H]([C@H]1CC=CCC1)N1C(=O)C[C@H]1c1ccccc1 575443598 VYDFSAOBHSIAFI-OEOAZWSVSA-N 399.494 4.805 0 40 GJAB CN(C)[C@H](CNC(=O)Nc1c(F)cccc1F)c1csc2ccccc12 575622243 YIIHIOWSMIZXHF-MRXNPFEDSA-N 375.444 4.604 0 40 GJAB O=C(c1cc(F)ccc1Cl)N1CC(Cc2cccc(Br)c2)C1 1557785938 LGDBHJNGPRQDPD-UHFFFAOYSA-N 382.660 4.556 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(C)c2)cc1 647600 FHYTVZHNAXYVSO-JOCHJYFZSA-N 386.451 4.861 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)COC(=O)/C=C/c1cccc2ccccc12 957199 ABKMOPBMXVDAAD-FMIVXFBMSA-N 379.843 4.997 0 40 GJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1)c1cccc(Cl)c1 1370517 BXUPEAIAVQPVLA-NHCUHLMSSA-N 386.898 4.795 0 40 GJAB Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc4ccccc34)ccc12 2093664 DIEFBZIBAMQSTO-UHFFFAOYSA-N 388.419 4.769 0 40 GJAB biogenic CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 2742018 UNVHYEOZHDOXPU-CQSZACIVSA-N 376.566 4.907 0 40 GJAB CCC(CC)c1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1 4696206 FGGJOUKMVNIMSI-UHFFFAOYSA-N 394.500 4.946 0 40 GJAB Cc1cccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)c1 4889948 KZFHCYONUMHPKV-KVACCUTFSA-N 388.511 4.633 0 40 GJAB O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)c1ccccc1-c1ccccc1 4891475 SUOKHJNGVVBXBI-UHFFFAOYSA-N 395.462 4.715 0 40 GJAB CC(C)(C)NC(=O)[C@H](c1cccc(F)c1)N(C(=O)c1ccco1)c1ccccc1 4933820 VSKPBOALGQXSSG-FQEVSTJZSA-N 394.446 4.722 0 40 GJAB COc1ccccc1-n1c(SCc2ccccc2F)nc2ccccc2c1=O 5016890 ZLPMVRXFVUWCII-UHFFFAOYSA-N 392.455 4.826 0 40 GJAB Cc1ccc(N2C[C@@H](NC(=O)N(Cc3ccccc3)c3ccccc3)CC2=O)cc1 5123486 DYMCWIUYKMLRJV-NRFANRHFSA-N 399.494 4.517 0 40 GJAB CCCn1c(C)cc(-c2csc(NC(=O)c3cccnc3OCC)n2)c1C 5938541 YZADDTMNCFAKTK-UHFFFAOYSA-N 384.505 4.684 0 40 GJAB COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 6627630 QEOQQNCCJKMOJP-UHFFFAOYSA-N 390.483 4.942 0 40 GJAB CN(C)CCCN(C(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 6679674 UZOZSTJOHYSOBO-UHFFFAOYSA-N 383.492 4.548 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccccc2)sc2c1CCCC2 6892066 ZTGFWBCRBYBZTA-CYBMUJFWSA-N 389.542 4.923 0 40 GJAB Cc1cccc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1C 7928799 DXGGRBRGWVRTMG-CYBMUJFWSA-N 378.255 4.569 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 8156791 HVKYSPDXGKCWAQ-OAHLLOKOSA-N 375.497 4.726 0 40 GJAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N(C)C1CCCCC1 8232923 BYHNCTXKIWPWIR-CYBMUJFWSA-N 390.578 4.613 0 40 GJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCc2ccccc21 8390894 RCIJOVZFGXWJIT-UHFFFAOYSA-N 395.462 4.751 0 40 GJAB Cc1nnc(SCC(=O)c2cccc(Br)c2)n1C1CCCCC1 8394275 RRDSVVSTTBIZJO-UHFFFAOYSA-N 394.338 4.829 0 40 GJAB C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1nc(-c2ccccc2)cs1 8807907 PYOIJGFHUGCSFG-ZDUSSCGKSA-N 394.525 4.816 0 40 GJAB Cc1cc(C)c2oc(C(=O)Nc3ncc(Cc4ccccc4)s3)cc(=O)c2c1 11689974 RORAEWGAFNRIQG-UHFFFAOYSA-N 390.464 4.709 0 40 GJAB CCn1nccc1C(=O)N(Cc1ccccc1)c1nc2cc(C)cc(C)c2s1 11696007 UXERBNQTGCVLFW-UHFFFAOYSA-N 390.512 4.977 0 40 GJAB CC(C)c1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1 12421760 LOOPWWWGHPHBSU-UHFFFAOYSA-N 375.457 4.524 0 40 GJAB C[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 12548086 CZFONVDTAFIPCU-IBGZPJMESA-N 397.478 4.796 0 40 GJAB CCn1c2ccccc2c2cc(CN(C)C(=O)CSc3ccncc3)ccc21 12597237 PMUZVFVGTPBUBV-UHFFFAOYSA-N 389.524 4.960 0 40 GJAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1(c2ccccc2)CCCC1 12857012 XXMAYXWDSIWKLC-UHFFFAOYSA-N 384.907 4.627 0 40 GJAB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 13036386 SKGUYWZGWINNMG-WMZHIEFXSA-N 390.439 4.929 0 40 GJAB COCCN1C(=O)C(C)=C(C)[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 13844888 AGDAAYKAEAEKQM-QFIPXVFZSA-N 378.447 4.840 0 40 GJAB CN(CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1 17826863 PRTVRGUZDXFCDG-UHFFFAOYSA-N 396.494 4.553 0 40 GJAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1 22259015 VQJMCJHSVWFWMS-UHFFFAOYSA-N 388.876 4.893 0 40 GJAB O=C(Nc1cccnc1)c1ccccc1OCc1cccc(Br)c1 23607057 OPGDAAMSQCSRPI-UHFFFAOYSA-N 383.245 4.675 0 40 GJAB CC(=O)Nc1cccc(-n2c(SCc3ccc(C)cc3)nnc2C2CC2)c1 26133275 FSLGCWSXFBJAOV-UHFFFAOYSA-N 378.501 4.704 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)N(Cc2cccc(F)c2)c2ccccn2)c1C 28292965 ASFPBFMPTHBNJH-GOSISDBHSA-N 378.447 4.838 0 40 GJAB Cc1ccc([C@H](NC(=O)c2ccc(CN3CCCC3=O)cc2)c2ccccc2)cc1 29882578 NIHIJTWEKFPOMV-RUZDIDTESA-N 398.506 4.637 0 40 GJAB Cc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 33048494 PHJSTQVUMBPGMR-UHFFFAOYSA-N 383.313 4.833 0 40 GJAB CC(C)N(C)CCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 40090691 DPFPGZVEWBLNFC-UHFFFAOYSA-N 378.438 4.833 0 40 GJAB COc1ccc(-c2nc3ccc(NC(=O)[C@H](C)Oc4ccccc4)cc3o2)cc1 41086052 VXFNYULEALLQEE-HNNXBMFYSA-N 388.423 4.909 0 40 GJAB Cc1noc(-c2ccc(C(=O)N(C)C(c3ccccc3)c3ccccc3)cc2)n1 45929993 VBUPBFYTYAGHNU-UHFFFAOYSA-N 383.451 4.907 0 40 GJAB COc1ccc2[nH]c(C(=O)N(Cc3ccccc3)Cc3ccco3)cc2c1OC 48310303 OHJYGLMEBSWFSF-UHFFFAOYSA-N 390.439 4.621 0 40 GJAB CCOc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 57316191 YQRHBIWONMKAAN-UHFFFAOYSA-N 378.266 4.644 0 40 GJAB O=C1c2ccccc2N[C@H](c2cccc(C(F)(F)F)c2)N1Cc1cccnc1 57771014 IAXMIZJNOAJLEB-IBGZPJMESA-N 383.373 4.867 0 40 GJAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)c4cccnc4)C3)c2)c1 72356067 VIVHKIOMLNUNIT-HSZRJFAPSA-N 385.511 4.704 0 40 GJAB O=C(COc1ccc2ccccc2c1)N(Cc1ccccc1)CC1CCOCC1 89832591 RPPDDFHTRZGRRW-UHFFFAOYSA-N 389.495 4.674 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](n2cnc3ccc(Br)cc32)CC1 91302663 KMBWCUNQQLDBEI-AWEZNQCLSA-N 394.313 4.761 0 40 GJAB in-vitro Cc1n[nH]c2cc(NC(=O)c3cccnc3SCc3ccc(F)cc3)ccc12 95455966 NYCBJHHWCXUPCN-UHFFFAOYSA-N 392.459 4.950 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2cccc(Cl)c2)C[C@@H](c2ccccc2O)C1 102614732 ICWNWCRWRFXGFI-XCLFUZPHSA-N 392.846 4.702 0 40 GJAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)[C@H]2C=C[C@H]1C2 102844563 ZDVZMVOUUUFQCG-OYUDYFSCSA-N 399.899 4.953 0 40 GJAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 222900955 ZKVSIZBQXCRVRK-UHFFFAOYSA-N 384.951 4.690 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 223178644 DBLSBXOJYFAFFZ-QFIPXVFZSA-N 394.559 4.568 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCC(C)C)s1 224132021 YJLOPNHSYCTGDD-CYBMUJFWSA-N 385.942 4.736 0 40 GJAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C 224161714 ZTJNAFSVRMTLJZ-LEWJYISDSA-N 376.529 4.697 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(Cl)cc1 224458695 WNWOJIYRNXPAQT-OAQYLSRUSA-N 383.875 4.846 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)[nH]1 224890358 GZZHDBPJUZWOBI-UXHICEINSA-N 380.492 4.651 0 40 GJAB Cc1ccnc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 225347118 LSGXRLJGDKIILQ-UHFFFAOYSA-N 386.373 4.917 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)c(C)c1 225381747 YGWQRVNWQCQJPX-QFIPXVFZSA-N 395.524 4.688 0 40 GJAB COCCNC(=O)c1cc(N)ccc1Nc1ccccc1Sc1ccccc1 225494082 MJULARLQVYKZEI-UHFFFAOYSA-N 393.512 4.540 0 40 GJAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@]12C 253505174 RMEZJKHOZLUOHB-LRJVZHOFSA-N 388.548 4.606 0 40 GJAB biogenic,in-vitro Cc1noc(C)c1-c1cc(C2CCN(Cc3nccn3C(C)C)CC2)ccn1 257304187 SKKVBCPMRBXMDX-UHFFFAOYSA-N 379.508 4.510 0 40 GJAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)C)ccc3o2)cc1Cl 408618716 FDJZNXNPYMSXDB-UHFFFAOYSA-N 387.892 4.926 0 40 GJAB COc1ccc(C(=O)[C@H](Cc2ccc(Cl)nc2)C(=O)c2ccccc2)cc1 408731788 NAIKSBNMOSOVPC-LJQANCHMSA-N 379.843 4.668 0 40 GJAB COc1ccc(/C=C(/C(=O)NCCSc2ccccn2)c2ccccc2)cc1 408920976 AFPDTUWPJVJNLY-HEHNFIMWSA-N 390.508 4.539 0 40 GJAB CN(C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)c1ccccc1 408979791 SHEMCYWAMSCSKP-UHFFFAOYSA-N 393.450 4.897 0 40 GJAB COc1cccc(C2=N/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C(=O)O2)c1 409026153 HMVJIPSLTILWNB-UCQKPKSFSA-N 399.446 4.927 0 40 GJAB COc1cc(C)ccc1OCc1nnc(SCc2ccccc2Cl)n1C 409341333 BHVAYPUPFASNNY-UHFFFAOYSA-N 389.908 4.657 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(C)c3)[C@](O)(C(F)(F)F)[C@H]2C1 409349508 UAPNWCKVYBDFJC-GQIGUUNPSA-N 396.453 4.910 0 40 GJAB Cc1cc(CN2CCC[C@@H]2c2nc(-c3ccccc3Br)no2)ccn1 527538156 JIOQSQFPQBNXNN-QGZVFWFLSA-N 399.292 4.540 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 547135474 ZEODZSHXZVMBTB-PIKOESSRSA-N 397.519 4.568 0 40 GJAB CC[C@H](CSc1ccccc1)NC(=O)Nc1ccc(Oc2cccnc2)nc1 556311260 QVPOACNJTNZKAC-MRXNPFEDSA-N 394.500 4.961 0 40 GJAB Cc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)Cc2ccccn2)c1 585105912 YMYDGGGHUOXIBA-UHFFFAOYSA-N 398.506 4.695 0 40 GJAB CCOc1ccc2nc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)sc2c1 682995 OJVVBAVVSRBBJJ-UHFFFAOYSA-N 390.530 4.793 0 40 GJAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 687072 BQGXKFCXRUCRTO-MRVPVSSYSA-N 383.300 4.531 0 40 GJAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c(C)c1 846094 PIGYQPQBYFJHRP-UHFFFAOYSA-N 387.439 4.833 0 40 GJAB CCCCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1C)CCCC3 2262439 GFZKLUSKYUAAKL-UHFFFAOYSA-N 379.529 4.860 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)c1c(C(F)(F)F)ccnc1Cl 2380544 RCYBRGIWNJVFIL-UHFFFAOYSA-N 383.584 4.991 0 40 GJAB Cc1cccc(-c2nsc(SCC(=O)N3CCCc4ccccc43)n2)c1 2917492 GEQDCMXPVPYUIY-UHFFFAOYSA-N 381.526 4.585 0 40 GJAB O=c1[nH]c2scc(-c3ccccc3Cl)c2c(=O)n1-c1ccc(Cl)cc1 3293440 RSWBQWHETDHVMA-UHFFFAOYSA-N 389.263 4.714 0 40 GJAB CN(C)CCCN(C(=O)c1cccc(F)c1)c1nc2ccc(Cl)cc2s1 4359642 QSQIMECIUWENNN-UHFFFAOYSA-N 391.899 4.687 0 40 GJAB Cc1ccc(CNC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 4744097 DIIWSKNGTOTHCB-UHFFFAOYSA-N 389.451 4.632 0 40 GJAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2)cc1 4815060 ZDASPAJCAJIWDW-PKTZIBPZSA-N 394.478 4.968 0 40 GJAB O=c1[nH]c2ccc(NCc3cccc(OCc4ccc(Cl)cc4)c3)cc2[nH]1 4973814 KHFMWHXASVBKQO-UHFFFAOYSA-N 379.847 4.701 0 40 GJAB Cc1ccc([C@@H](O)[P@](=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc1 5029735 ZMDMYYXWJFSAGA-HFZDXXHNSA-N 375.449 4.718 0 40 GJAB O=C(CCCc1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 5077455 ISZTWPNOTIALPE-UHFFFAOYSA-N 381.476 4.720 0 40 GJAB COc1ccc(CCn2c(C)c(C(C)=O)s/c2=N\c2ccccc2)cc1OC 5243097 ACUVMZOWHATPHQ-FCQUAONHSA-N 396.512 4.553 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccccc1F 6215713 ZTTZLBHFIVDWAG-FQEVSTJZSA-N 396.849 4.979 0 40 GJAB O=C(Nc1nnc(C2CC2)s1)c1ccc(COc2ccc(Cl)cc2)cc1 6650842 RSHXFGNEWMZTEH-UHFFFAOYSA-N 385.876 4.900 0 40 GJAB CCOC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2C(=O)OC(C)C)o1 6954564 YSIGVLPNNMNJHT-UKTHLTGXSA-N 387.819 4.635 0 40 GJAB COc1ccc(OCCn2c(CCCN3CCCCC3)nc3ccccc32)cc1 7343635 KDWFCMRCLCYSPE-UHFFFAOYSA-N 393.531 4.542 0 40 GJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CC[C@@H]3CCCC[C@@H]3C2)o1 7590708 GHEZEQSOIUMALB-FUHWJXTLSA-N 378.476 4.712 0 40 GJAB COc1cccc(CCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)c1OC 7734614 VIYVFBUHUYINJC-WYMLVPIESA-N 388.467 4.841 0 40 GJAB O=C(NCc1ccncc1)c1ccccc1OCc1ccc(Cl)cc1Cl 7777922 UMBWFAQPPPMZNO-UHFFFAOYSA-N 387.266 4.897 0 40 GJAB CCCCN1C(SCc2ccccc2Cl)=NS(=O)(=O)c2ccccc21 8023938 RAYYPSLRVMSXOK-UHFFFAOYSA-N 394.949 4.938 0 40 GJAB CCc1sc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1C 8245477 VIFXCRWXGXAQBI-UHFFFAOYSA-N 380.517 4.856 0 40 GJAB CC(C)[C@@H](NC(=O)N(C)Cc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 9871906 QSQOAMRIVYBNHI-JOCHJYFZSA-N 394.494 4.609 0 40 GJAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)c(Cl)c1 13003488 INANALCERMNLHE-NSHDSACASA-N 377.271 4.833 0 40 GJAB O[C@]12CCCC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)N(Cc1ccccc1Cl)CC2 13139798 DHAIHTADTTVAFV-YSZBQJHXSA-N 399.918 4.937 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(Br)cc2)c1 13673366 LWECQBXXXGPIFO-UHFFFAOYSA-N 376.294 4.599 0 40 GJAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 14404762 MQSTXLYZJSCOKF-FMIVXFBMSA-N 394.862 4.584 0 40 GJAB CN(CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)C1CCCCC1 16334373 DFZMYKWWPPKYMT-KRWDZBQOSA-N 387.574 4.752 0 40 GJAB O=C(Nc1ccccc1Oc1ccc(F)cc1)c1ccc(Cn2cncn2)cc1 19350047 NZSQZGXGHXUKCJ-UHFFFAOYSA-N 388.402 4.510 0 40 GJAB C[C@@H](CN1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 19456059 XWNVRXYYQYFAPA-WMZHIEFXSA-N 393.575 4.801 0 40 GJAB CCn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)no2)cn1 19524921 JMPYGEJANCLVON-NRFANRHFSA-N 380.492 4.684 0 40 GJAB Cc1c(CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)[nH]c2ccccc12 19565871 RWMYRRDDFJWETF-UHFFFAOYSA-N 388.433 4.979 0 40 GJAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cnc(-c2ccccc2)[nH]c1=O 19937237 NYECGLKKOUEQFD-UHFFFAOYSA-N 394.645 4.649 0 40 GJAB COc1ccc(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)cc1 22072322 PHSFJRAYUUBLQS-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB CCn1cc(C(=O)Nc2cc(F)ccc2C)c(=O)c2cc(C(F)(F)F)ccc21 22237061 UPIVKFZZEAWDOY-UHFFFAOYSA-N 392.352 4.740 0 40 GJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1oc2ccc(Cl)cc2c1C 24594731 DYYANOIMZUYWRP-UHFFFAOYSA-N 384.863 4.722 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)c1c(C)nc(C(C)C)nc1SC 24831871 MCYWFDFZCKXMIG-UHFFFAOYSA-N 379.913 4.853 0 40 GJAB O=C(Nc1ccc(SC(F)F)cc1)c1cccc(OC[C@@H]2CCCO2)c1 27642805 HTDLAESLMBFUQY-INIZCTEOSA-N 379.428 4.811 0 40 GJAB C[C@H]1CCCN(Cc2csc(NC(=O)CCc3ccccc3Cl)n2)C1 28685328 MDFXTGKRMVZEJT-AWEZNQCLSA-N 377.941 4.600 0 40 GJAB CN(C)[C@H](CNC(=O)c1ccc(Cl)c2cccnc12)c1ccccc1Cl 29052157 UUVZRWJVEHBNKP-GOSISDBHSA-N 388.298 4.574 0 40 GJAB O=C(c1ccoc1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 30180841 VJNKTTGXNYLLLV-UHFFFAOYSA-N 386.904 4.620 0 40 GJAB Cc1cc(C(F)(F)F)nc2sc(C(=O)N[C@@H](C)c3ccccc3)c(N)c12 32117843 KALQBLQQAFDTJI-JTQLQIEISA-N 379.407 4.697 0 40 GJAB CCOC(=O)c1nc(NC(=O)Nc2ccccc2C(F)(F)F)sc1Cl 36709128 DQHCUNXSQPHVSR-UHFFFAOYSA-N 393.774 4.636 0 40 GJAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1N(C)C(=O)C1CC1 40144495 ZHSGEMWTOSWPQP-UHFFFAOYSA-N 378.516 4.629 0 40 GJAB Cc1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3N3CCCC3)cs2)o1 40153172 KTDWNSKNVUOLEX-UHFFFAOYSA-N 395.528 4.513 0 40 GJAB O=C(NCCCOCC1CC1)c1ccc(/C=C/c2ccc3ccccc3n2)cc1 40157352 FJKKFVSKHSKBCP-GXDHUFHOSA-N 386.495 4.952 0 40 GJAB COCc1cccc(C(=O)OCc2nc3cc(C(F)(F)F)ccc3s2)c1 48310224 DJPMVVIDHNDRSZ-UHFFFAOYSA-N 381.375 4.819 0 40 GJAB COc1ccc(-c2cc(C(=O)O)c3c(-c4ccc(Cl)cc4)n[nH]c3n2)cc1 72333126 DQIBILNNBBHBNI-UHFFFAOYSA-N 379.803 4.652 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3c3nccs3)cn2)cc1C 84180783 VMTKJZUFNYWOTL-GOSISDBHSA-N 394.500 4.555 0 40 GJAB C[C@H](C(=O)Nc1c(F)cccc1F)N1CC=C(c2c[nH]c3ccccc23)CC1 89518782 WRSOJGPZQAHZFN-CQSZACIVSA-N 381.426 4.562 0 40 GJAB CCn1ncc(C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)c1C(F)(F)F 95948389 KMLCHFMEJIHNHV-UHFFFAOYSA-N 394.328 4.501 0 40 GJAB S=C(Nc1ccccc1Cl)NC1C[C@@H]2CC[C@@H](C1)N2Cc1cccs1 100423789 DZIOGDUMPKOZMC-GJZGRUSLSA-N 391.993 4.884 0 40 GJAB CCn1c(C)cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)c1C 106784688 LNLWIOJGWMJSRS-UYRXBGFRSA-N 384.501 4.549 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCC[C@@H]1CC 216463572 TWYOXYUIWIIMBY-HKUYNNGSSA-N 383.001 4.982 0 40 GJAB COc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1Cl 222723378 PTIUJAXKACRZHR-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2 223015073 BJFROKSFJCJXCO-OQHXPNFOSA-N 379.500 4.863 0 40 GJAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C 223092597 KBRLQTMFTRQBIA-SFTDATJTSA-N 382.577 4.825 0 40 GJAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccccc2OC)c2ccccc2O1 223587140 DIFOLXVUEOPFCW-WMZOPIPTSA-N 383.488 4.661 0 40 GJAB COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(Cl)cc1 224154613 PJJKFHFTIWIEBD-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 224286228 XPALBMUWEGBNSB-GOSISDBHSA-N 377.484 4.755 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225035901 OPYPPABDJRBZMM-KRWDZBQOSA-N 394.515 4.501 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)COc3ccc4c(c3)CCCC4)ccc21 225178396 DOWZABZLCHGWLX-UHFFFAOYSA-N 396.512 4.540 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 225529816 VHBOKAHFACJLIS-OFNKIYASSA-N 394.559 4.650 0 40 GJAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc2c(c1)CCCC2 225630913 QNTQVWVAXCEXPI-UHFFFAOYSA-N 376.500 4.834 0 40 GJAB Cc1ccccc1-c1noc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)n1 225828892 OQYFWALCWFFFOC-UHFFFAOYSA-N 392.406 4.550 0 40 GJAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cc1 225919106 OUXXYZDAZFAYIZ-UHFFFAOYSA-N 389.879 4.818 0 40 GJAB C[C@H](Nc1cccc(-c2ncc3n2CCCC3)c1)c1ccc2c(c1)CCC(=O)N2 584699528 CDWHLVKYAGMKTF-INIZCTEOSA-N 386.499 4.944 0 40 GJAB Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)s1 585100594 OZFAVUAHRUVFPS-JOCHJYFZSA-N 389.609 4.687 0 40 GJAB Cc1ccc(-n2ncc3c(N)c4c(nc32)C[C@H](c2ccccc2)CC4=O)cc1C 618257138 SATGZONYYFYUET-KRWDZBQOSA-N 382.467 4.532 0 40 GJAB Cc1cc(C)n(-c2ccc(Oc3nc(C4CC4)ncc3Br)cc2)n1 664020107 NBTPETXYXPLXFL-UHFFFAOYSA-N 385.265 4.711 0 40 GJAB O=C(Nc1ccc(Cl)cn1)c1ccc(Br)cc1Br 682586 HJTXCUAAAFAIRD-UHFFFAOYSA-N 390.462 4.512 0 40 GJAB CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)cc1 702353 ILIXPNNYOIJJLR-UHFFFAOYSA-N 385.514 4.790 0 40 GJAB Cc1cccc(N2CCN(C(=O)/C=C/c3c(Cl)cccc3Cl)CC2)c1C 997332 LICLTDXTFSYVBE-MDZDMXLPSA-N 389.326 4.972 0 40 GJAB O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc2ccccc2c1 1084805 KJMMPIJVGYKAQO-PDGQHHTCSA-N 378.225 4.947 0 40 GJAB COc1cc(C2N3Cc4ccccc4CN2c2ccccc23)cc(OC)c1OC 1566008 NIGDVNKFFPFDTH-UHFFFAOYSA-N 388.467 4.751 0 40 GJAB CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1OC 2238029 RKYSMVMFZARBII-NVNXTCNLSA-N 392.238 4.745 0 40 GJAB CSc1nc2sc3c(c2c2nnc(SCc4ccccc4)n12)CCC3 2281068 SJGHGHFVIFLLFS-UHFFFAOYSA-N 384.555 4.842 0 40 GJAB CCN(CC)C(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 2629755 LSELPEJEKPBDIM-UHFFFAOYSA-N 396.874 4.580 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21 3648689 QRLDXKBTXDOZLM-IYBDPMFKSA-N 380.513 4.723 0 40 GJAB CC1=C(c2nc(-c3ccc(C)cc3)no2)[C@H](c2ccc(Cl)cc2)NC(=S)N1 4483834 LSGPMOWRTRMURN-KRWDZBQOSA-N 396.903 4.648 0 40 GJAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 4593169 XWVARADXLLMZLV-QXUMQBBKSA-N 381.884 4.803 0 40 GJAB Cc1ccc(C)c(NC(=O)Cn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)c1 4676950 XVGGLGPYZCPWRD-UHFFFAOYSA-N 388.389 4.950 0 40 GJAB CCOC(=O)c1cc2occc2n1CC(=O)Nc1ccccc1-c1ccccc1 4968491 RPEGMQFUZPIDFN-UHFFFAOYSA-N 388.423 4.717 0 40 GJAB Cc1cc(C)c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)c(O)c1 5201276 OJLBODUZIYVHPJ-UHFFFAOYSA-N 375.350 4.670 0 40 GJAB Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)s1 5396893 KFSCQGUWQSXGTN-UHFFFAOYSA-N 389.571 4.919 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSCC(=O)Nc1ccc(Cl)cc1 5463626 DQQCYELJYXUTOS-UHFFFAOYSA-N 383.300 4.612 0 40 GJAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(-c2ccccc2)cc1 6535554 WCTPOLKVOWNHIN-UHFFFAOYSA-N 397.463 4.772 0 40 GJAB Cc1cc(C)c(NC(=O)COC(=O)c2cc3c(s2)CCCC3)c(Cl)c1 6790205 ZBPMXCZLMMYOEZ-UHFFFAOYSA-N 377.893 4.693 0 40 GJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(Cl)cc1Cl 7720404 FEPOCWYTWOLXJJ-UHFFFAOYSA-N 396.661 4.969 0 40 GJAB CCCNC(=O)[C@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc12 7837249 MLJILKPGZXXHJG-NSHDSACASA-N 375.494 4.504 0 40 GJAB CCc1ccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 8086179 LCUKXQODKPVRBC-UHFFFAOYSA-N 380.513 4.644 0 40 GJAB C[C@@H](C(=O)Nc1ccccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 8249195 WFWCYMXIJRHOSZ-GJZGRUSLSA-N 383.492 4.642 0 40 GJAB Cc1cc2c(cc1/C=C1/S/C(=N/c3cccc(Cl)c3C)NC1=O)OCO2 8336783 GICABHJNJARXGQ-CAOOACKPSA-N 386.860 4.577 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCN(Cc2ccc(F)cc2)CC1 10258802 NRYCQFDQZCAKOL-UHFFFAOYSA-N 396.293 4.872 0 40 GJAB COc1ccc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)sc2c1 11915759 LDIUBOAMPMVYDQ-UHFFFAOYSA-N 385.832 4.866 0 40 GJAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3c(C)noc3C)on2)cc1 12120259 BFYRZDAKBWVGIU-LJQANCHMSA-N 395.459 4.713 0 40 GJAB COc1ccccc1CNc1ncc(-c2ccsc2)c(-c2nccs2)n1 12251612 YPCPLARQZDHNCP-UHFFFAOYSA-N 380.498 4.949 0 40 GJAB COc1ccccc1[C@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccc(F)cc1 12371741 HFXKDHGBMFZTGD-CQSZACIVSA-N 397.427 4.735 0 40 GJAB CCOc1ccc(CCC2CCN(C(=O)Nc3ccccc3OC)CC2)cc1 12751574 KBBHGZADVHXOPE-UHFFFAOYSA-N 382.504 4.971 0 40 GJAB Cc1ccc(-c2nn(CN(Cc3ccc(F)cc3)C3CC3)c(=S)n2C)cc1 12852786 CBCFGXFQJPEJOH-UHFFFAOYSA-N 382.508 4.688 0 40 GJAB O=C(Nc1ccc(-c2nccs2)cc1)c1cc(F)ccc1Br 12871599 YUCVZLMOCJNPFL-UHFFFAOYSA-N 377.238 4.964 0 40 GJAB O=C(C[C@H]1C=CCC1)Nc1ncc(Cc2ccc(Br)cc2)s1 12919979 XUWHWDCEABPXKO-LBPRGKRZSA-N 377.307 4.791 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2cccc(Cl)c2Cl)cc1 13042200 HIOJBTLFPCRGNQ-LBPRGKRZSA-N 379.287 4.655 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 13646643 CULITLRKIQCRJG-ZDUSSCGKSA-N 377.893 4.944 0 40 GJAB CCN1C(=O)[C@H](Cc2ccc(SC)cc2)c2cc(Br)ccc21 15018159 SVZKNKCHLGZZQF-MRXNPFEDSA-N 376.319 4.864 0 40 GJAB COc1ccc([C@@H]2[C@@H](NCc3cnc(C(C)C)nc3)[C@H]3CCCC[C@H]32)cc1OC 19454148 LQAOHYIBEYHTOU-FUKQBSRTSA-N 395.547 4.679 0 40 GJAB COc1ccccc1CC(=O)N1CCC[C@@H]1c1cc(-c2ccccc2)cc(C)n1 19690735 QXOPHMRVFYGUIN-HSZRJFAPSA-N 386.495 4.972 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(Cl)c1 20040015 WUSHESIBUHIOJL-LLVKDONJSA-N 382.243 4.576 0 40 GJAB O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccc(-c4ccccc4)cc3)c12 20673494 WOBYRNBNEJXKLZ-UHFFFAOYSA-N 382.467 4.642 0 40 GJAB Cc1cc(C)c([C@@H](C)NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 22540793 HAFFIQJDOXYZDE-CYBMUJFWSA-N 379.287 4.735 0 40 GJAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(Br)cc1F 24353602 NRXCTAHYDQBJHB-UHFFFAOYSA-N 395.253 4.794 0 40 GJAB CCc1ccc(Nc2nnc(SCCn3c(=O)oc4ccccc43)s2)cc1 26036047 AHOXYKRQGMQUHU-UHFFFAOYSA-N 398.513 4.544 0 40 GJAB Cc1cccc(C(=O)Nc2c(C)nn(Cc3ccc(Br)cc3)c2C)c1 28229095 AHJYNBMGQFJNCT-UHFFFAOYSA-N 398.304 4.871 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc2c(c1)CCCC2 32594076 JAHLLENDWLAQIS-SFHVURJKSA-N 395.434 4.551 0 40 GJAB COc1ccccc1-c1cc(COC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)on1 32865978 BCURJSZZVGPEMM-KBPBESRZSA-N 379.412 4.592 0 40 GJAB CCC(CC)C(=O)Nc1ccccc1SCc1cc(=O)n2ccc(C)cc2n1 33025954 SXJLXUWYANZYRQ-UHFFFAOYSA-N 395.528 4.670 0 40 GJAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1csc(-c2ccc(F)cc2)n1 39983212 FTTNGTXYKJHPIO-HXUWFJFHSA-N 389.455 4.864 0 40 GJAB Cc1nc(Cc2nc(-c3ccc(CNC(=O)C(C)(C)C)s3)cs2)cs1 43785711 FYLFCLUWPKBXQN-UHFFFAOYSA-N 391.587 4.890 0 40 GJAB CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc(C)cc2)c(Br)c1 44849032 OEMCRKCUXXZKHV-SFHVURJKSA-N 390.321 4.966 0 40 GJAB CCn1ncc2c(C(=O)N(Cc3ccccn3)C(C)C)cc(-c3ccccc3)nc21 48263571 SCBUCMJXKUNMTB-UHFFFAOYSA-N 399.498 4.564 0 40 GJAB O=C(CCCn1c(=O)oc2ccccc21)NC1(c2ccc(Cl)cc2)CCCC1 58328530 PUAMDPRIEATZHV-UHFFFAOYSA-N 398.890 4.614 0 40 GJAB COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1 59409137 QVTKLRFHEQPYDP-QFIPXVFZSA-N 376.481 4.971 0 40 GJAB CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 65322277 INOWJIJDQHBUBU-UHFFFAOYSA-N 394.494 4.995 0 40 GJAB Cc1ccc(-c2nc(CC(=O)NC3(c4ccc(F)cc4)CCCC3)cs2)o1 65475982 CVRBWPPYWIXBOC-UHFFFAOYSA-N 384.476 4.979 0 40 GJAB Cc1cccc(NC(=O)c2cc(C(F)(F)F)ccc2F)c1NC(=O)C(C)C 66088683 CEVPLHMTCLOHOH-UHFFFAOYSA-N 382.357 5.000 0 40 GJAB Fc1ccc(-c2nnn3c2nc(NCCc2cccs2)c2ccccc23)cc1 67261419 VSKVMYPDUZKYFE-UHFFFAOYSA-N 389.459 4.800 0 40 GJAB O=C(CCn1ccc2c(Br)cccc21)Nc1cccc2[nH]ccc12 70666516 JENJHIGWNGSILC-UHFFFAOYSA-N 382.261 4.914 0 40 GJAB biogenic O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1cccc2ccccc12 90613563 RHWAKUAGTQVKER-FQEVSTJZSA-N 379.506 4.975 0 40 GJAB N=C1S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C(=O)[C@H]1c1nccs1 135825388 QGMYJOGSBRLPAD-AOXLQZBSSA-N 396.449 4.519 0 40 GJAB COc1cccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1 215155528 NAUPQPLDOJDCCK-CXUHLZMHSA-N 377.824 4.724 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1OC 216279009 XYIAAWOSLXETEM-SFHVURJKSA-N 389.495 4.980 0 40 GJAB CCc1ccc(OCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 218954352 XIXXRVDDPMJGEK-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB Cc1ccc(C)c([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 222704027 KFXXCVWVJSMJPC-OSVNEOKWSA-N 388.467 4.545 0 40 GJAB CC(C)(C)c1ccccc1OCC(=O)NCCSCc1ccccc1F 222797202 IWJWZYSKKZWJTK-UHFFFAOYSA-N 375.509 4.552 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 223178727 DBLSBXOJYFAFFZ-JOCHJYFZSA-N 394.559 4.568 0 40 GJAB C[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCC2 223224444 IJZRZERWVIMHCA-KRWDZBQOSA-N 396.962 4.918 0 40 GJAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 223585999 QRNFVXJLQGXSDU-FQEVSTJZSA-N 394.559 4.604 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC 223898175 FNRBILDLUSQLRI-QGZVFWFLSA-N 387.351 4.817 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(I)cc2C)c(Cl)c1 224996743 SLNJSMHVZHXSJB-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O 244514506 ZOUCPCGNRFYCOT-LBPRGKRZSA-N 396.796 4.659 0 40 GJAB O=C(NC1CCCCC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257226368 FKJGMVJBRLCBGR-UHFFFAOYSA-N 378.516 4.537 0 40 GJAB COc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(CC(C)C)n1 257233837 GQYATCJRXZAFKQ-UHFFFAOYSA-N 382.435 4.648 0 40 GJAB CCCOc1c(Br)cc(CNc2cccc(C(=O)O)c2)cc1OC 325122345 XGSIDPIKCWOETR-UHFFFAOYSA-N 394.265 4.557 0 40 GJAB c1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](c2ccccc2)S3)cc1 409200564 MQMIMXREYJHSRU-QFIPXVFZSA-N 398.491 4.957 0 40 GJAB O=C(Cc1csc(-c2cccnc2)n1)N1CCCCc2cc(Cl)ccc21 622960654 YGJDNXIBYRGYMG-UHFFFAOYSA-N 383.904 4.771 0 40 GJAB COc1cccc(-c2ccc(C(=O)N3[C@H]4CC[C@H]3CC(n3ccnc3)C4)cc2)c1 1565520465 UVEJRXNLMITMTJ-SFTDATJTSA-N 387.483 4.567 0 40 GJAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H](CCO)c1ccc(Cl)cc1 1628889376 MEEHIGUTQNSHLX-ROUUACIJSA-N 390.911 4.678 0 40 GJAB COc1ccc(C(=O)c2sc3nc4ccc(C)cc4cc3c2N)cc1OC 907311 LIOXELIBMUDWKQ-UHFFFAOYSA-N 378.453 4.588 0 40 GJAB COC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2c1 911975 XRTHMLZSHDDKPI-UHFFFAOYSA-N 381.240 4.642 0 40 GJAB Cc1ccc(-c2nc3sc(C)nn3c2NC(=O)c2ccc(Cl)cc2)cc1 936618 IFTNTXGAIACWPL-UHFFFAOYSA-N 382.876 4.980 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CSc1ncnc2sc3c(c12)CCC3 950104 QDZRHUHIMBPAPE-UHFFFAOYSA-N 379.510 4.945 0 40 GJAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 990054 WCNHBHLABDRUIW-SANMLTNESA-N 399.490 4.817 0 40 GJAB Cc1cc(I)ccc1NC(=S)Nc1ccccc1F 1726790 XBSCGBLBCZOEEQ-UHFFFAOYSA-N 386.233 4.548 0 40 GJAB CCCCOC(=O)c1ccc(OS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 2069695 BQWSFRUOEHOJHP-UHFFFAOYSA-N 390.501 4.709 0 40 GJAB CCCCc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)n2)cc1 2091477 VVSCFBOIOAMXIH-DLBZAZTESA-N 384.501 4.758 0 40 GJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1Cc1ccco1 2405368 VCCCZXIUFNNXNK-IBGZPJMESA-N 391.810 4.785 0 40 GJAB Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(C3CCCCC3)cc2n(C)c1=O 2427333 YUIIYRUVMLWQIJ-UHFFFAOYSA-N 393.531 4.508 0 40 GJAB CCc1cccc(C)c1N(C(=O)COc1ccc(Cl)cc1C)[C@H](C)COC 3106440 RBVVGQLXVUPCEE-QGZVFWFLSA-N 389.923 4.966 0 40 GJAB Cc1nn(Cc2ccccc2)c2sc(C(=O)OCc3ccccc3F)cc12 3309339 RVNZJFFQFCSPHB-UHFFFAOYSA-N 380.444 4.951 0 40 GJAB COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)c1 4070379 GLZLWUYFYFWQHU-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB O=C(C(=O)N1CCCCCC1)c1c(-c2ccc(Cl)cc2)cc2ccccn12 4949118 MSPAUTPLWYBYNV-UHFFFAOYSA-N 380.875 4.845 0 40 GJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1ccccc1Cl 5146709 WNKSPXRXMADMBI-UHFFFAOYSA-N 381.888 4.575 0 40 GJAB COc1cccc(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)c1 6451738 LXKLLEGIXLYMEU-UHFFFAOYSA-N 385.832 4.866 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)Nc2ccnn2C2CCCCC2)no1 6589604 DPIPUKYAUXDBMU-UHFFFAOYSA-N 397.504 4.624 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 6649414 BGEBDTILGLFIOS-UHFFFAOYSA-N 390.936 4.742 0 40 GJAB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)S[C@@H](C)C(=O)N2 6678728 ZCCYFIBSOUBXEV-ORAYPTAESA-N 397.475 4.599 0 40 GJAB Cc1cccc(C)c1OCc1nnc(SC[C@H]2CCCO2)n1-c1ccccc1 6980145 CXCKPBYQHJZFPR-LJQANCHMSA-N 395.528 4.734 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc2ccccc2o1 7191790 VWPRGBBZXKWEJO-GFCCVEGCSA-N 383.498 4.749 0 40 GJAB Cc1cccc(-c2noc(CNC(=O)c3cccc(OCc4ccccc4)c3)n2)c1 7668673 UTSWMVKIOYNXGQ-UHFFFAOYSA-N 399.450 4.554 0 40 GJAB COc1ccccc1-c1nnc(SCC(=O)c2ccc3c(c2)CCCC3)o1 8394504 SDHNOANUHTXDHY-UHFFFAOYSA-N 380.469 4.599 0 40 GJAB Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)c2ccc(OCc3ccccc3)cc2)cc1 8475334 QFBXOVFYYNRTEO-SFHVURJKSA-N 394.492 4.619 0 40 GJAB Cc1ccc(Cl)cc1-n1ncc2c(NCCCc3ccccc3)ncnc21 8583114 QTCUWTZCCFXSOR-UHFFFAOYSA-N 377.879 4.822 0 40 GJAB CN(Cc1ccc2ccccc2c1)C(=O)CSc1ncnc2sccc12 8755280 AVHVRXLNYODUNO-UHFFFAOYSA-N 379.510 4.595 0 40 GJAB COc1ccc2nc(N(Cc3ccncc3)C(=O)c3ccc(C)cc3)sc2c1 10254283 XWUNRCOCRYTNMG-UHFFFAOYSA-N 389.480 4.855 0 40 GJAB Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1C 10315327 ISUKJXAAYLAOPQ-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 12762864 CCGNYAIFJPOXEX-UHFFFAOYSA-N 390.458 4.778 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H]2CCCC[C@H]2C)cc1 12976425 XSHQWODARKFKDN-VGSWGCGISA-N 389.499 4.856 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2nc(Cl)ccc2Cl)cc1OCC 15966559 DVXCUPDHFWUWIN-NSHDSACASA-N 383.275 4.677 0 40 GJAB O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Br)cc1 17748267 CEDCQJIFBBYFNV-ZTFGCOKTSA-N 384.273 4.522 0 40 GJAB C[C@@H](/N=c1\ccccn1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1 18069098 KXEUIJWKGSCQCR-MQTUIEQJSA-N 375.350 4.842 0 40 GJAB CNC1CCC2(CC1)CN(Cc1cccc3ncccc13)Cc1ccccc1O2 19591990 OTNKSFOLJJPTEF-UHFFFAOYSA-N 387.527 4.530 0 40 GJAB Cc1cccc(OC2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)c1 19665402 CHDCMCYLWAXBEX-UHFFFAOYSA-N 392.524 4.731 0 40 GJAB Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 20450212 CKZCRYYHUWHNIA-UHFFFAOYSA-N 396.600 4.890 0 40 GJAB O=C(N[C@H]1CCOc2ccccc21)c1ccccc1OCc1ccc(F)cc1 23693825 AWPLJOSFCCPTIM-FQEVSTJZSA-N 377.415 4.658 0 40 GJAB COc1ccccc1-c1cc(C(=O)Nc2ccc(-c3nccs3)cc2)no1 30039230 BUWQJJIJBSBMGU-UHFFFAOYSA-N 377.425 4.726 0 40 GJAB COc1cc(C(=O)Nc2cccc3c2CCCC3)ccc1OCc1cscn1 32786903 COQYRSACBFFGLJ-UHFFFAOYSA-N 394.496 4.862 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38835022 OFBHPVSDSYDYFY-AWEZNQCLSA-N 381.278 4.983 0 40 GJAB O=C(Cc1csc(-c2ccccc2Cl)n1)Oc1ccc(-c2nnco2)cc1 39980488 VESJJCSPSRZUBR-UHFFFAOYSA-N 397.843 4.662 0 40 GJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 40104785 LUCDIFLCODNVJD-HNNXBMFYSA-N 385.895 4.801 0 40 GJAB CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(Br)o2)c1 54011128 GUMWVNRDIHAEFY-UHFFFAOYSA-N 388.265 4.663 0 40 GJAB CCc1ncc(CN2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 72350249 UNBZRYQPBGWDAL-IBGZPJMESA-N 376.479 4.620 0 40 GJAB O=C(COc1ccc(Cl)c2cccnc12)N[C@H]1CCSc2ccccc21 84579033 XBMHUDHTIOJDTM-INIZCTEOSA-N 384.888 4.620 0 40 GJAB OC1=Nc2c(cnn2-c2ccc(Cl)cc2F)[C@@H](c2ccc(O)cc2)SC1 95474092 ZYEMRZDWYWQDCG-QGZVFWFLSA-N 389.839 4.795 0 40 GJAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cnc(-c2ccsc2)s1 95958514 KSQQASRTEBNZGO-UHFFFAOYSA-N 392.889 4.939 0 40 GJAB Cc1cccc(OCc2nn3c(-c4cc5ccccc5o4)nnc3s2)c1C 96193888 KYHLFGYANAKBKG-UHFFFAOYSA-N 376.441 4.795 0 40 GJAB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(O)C[C@H](c3cccs3)CC1=N2 102713530 QBBKSTSZUCMONY-NSPYISDASA-N 398.438 4.991 0 40 GJAB O=C(c1nc2ccccc2s1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219322008 QEFWLVVWXHVNHX-INIZCTEOSA-N 390.480 4.895 0 40 GJAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 222846096 GLCPDGUGRBGFSH-PMACEKPBSA-N 381.476 4.862 0 40 GJAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223321282 YWYPPVCRNYZTGQ-IRXDYDNUSA-N 385.504 4.780 0 40 GJAB COc1cccc(OCc2cc(C(=O)Nc3ccc(C)cc3)ccc2OC)c1 224251357 XOTOGAZXCXGNKT-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc21 225094350 UBVVAJRSMHNQKL-UHFFFAOYSA-N 382.529 4.952 0 40 GJAB COc1cc(CNC(=S)Nc2ccc(OC(C)C)cc2)ccc1OC(C)C 225532005 IATXCCPNUZZTEI-UHFFFAOYSA-N 388.533 4.756 0 40 GJAB CCOC(=O)c1cc(NC(=S)NCCCc2ccc(F)cc2)ccc1Cl 225548221 LYRBGOFRTWCYHM-UHFFFAOYSA-N 394.899 4.575 0 40 GJAB COC(=O)c1cc(NC(=O)COc2cc(C)ccc2C(C)C)ccc1Cl 225829719 HLUCHJMHVVVJCV-UHFFFAOYSA-N 375.852 4.576 0 40 GJAB Cc1ccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1Cl 242860996 GFFZGIDKQLYZGB-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB CO[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1cc2ccccc2o1 253470987 AJZZRHKRZDDEBG-QGZVFWFLSA-N 378.350 4.961 0 40 GJAB COc1cccc(CNC(=O)c2ccc3c(c2)[C@@H]2O[C@H](C)CC[C@H]2C(C)(C)O3)c1 257204104 ATBLIVSXWRNGSQ-QPJICYPMSA-N 395.499 4.652 0 40 GJAB CCCCOc1ccccc1C(=O)Nc1cccc(I)c1 408587053 PRYBWIRUTIONIW-UHFFFAOYSA-N 395.240 4.722 0 40 GJAB O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1cc(F)ccc1F 408712979 DYFDPAHTVHANBP-UHFFFAOYSA-N 386.423 4.668 0 40 GJAB CC(C)Sc1ccc(CC(=O)N2CCC(Oc3ccsc3)CC2)cc1 575618749 IUMVPOQLLXIZRE-UHFFFAOYSA-N 375.559 4.861 0 40 GJAB Cc1cc(O)nc2cc(C(=O)N3CCC[C@]4(CCCc5ccccc54)C3)ccc12 577439670 LGESWLAXABYHLI-RUZDIDTESA-N 386.495 4.759 0 40 GJAB Cc1ccccc1[C@H]1CC(=O)c2c(nc3c(c(C)nn3-c3ccccc3)c2N)C1 618257483 XKEKTXZTDJMDFZ-MRXNPFEDSA-N 382.467 4.532 0 40 GJAB CCc1cccc(N2C(=O)N(CC3CCCCC3)c3ccccc3S2(=O)=O)c1 1889120594 FUMLNXTXMUJPSZ-UHFFFAOYSA-N 398.528 4.965 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)C2(C(F)(F)F)CC2)CN1c1cccc(F)c1 2037988456 KRQWVIZCGMEFBP-GOSISDBHSA-N 384.417 4.518 0 40 GJAB Cc1cc(NC(=O)CSc2nc(CCC3CCCC3)nc3ccccc23)no1 1356002 BGSNRDWFRRFRDX-UHFFFAOYSA-N 396.516 4.780 0 40 GJAB aggregator COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 2122291 FWOFSGVAIHDXDD-CBLXTYLSSA-N 391.511 4.603 0 40 GJAB biogenic Cc1ccccc1-c1nnc(SCCOc2ccc3c(C)cc(=O)oc3c2)o1 2184308 HZKULDDYXXOANH-UHFFFAOYSA-N 394.452 4.631 0 40 GJAB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3cccnc3)cccc2c1Cl 2436101 QYEGCUUYYZLHMQ-UHFFFAOYSA-N 387.892 4.730 0 40 GJAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)C2(c3cccc(F)c3)CCCC2)cc1 3313742 CLWBFGKYFFTXIM-MRXNPFEDSA-N 383.463 4.770 0 40 GJAB COc1ccc(OC)c(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 3450853 GCZSAPRKVXIZBN-UHFFFAOYSA-N 390.650 4.682 0 40 GJAB O[C@@]1(c2ccc(Cl)c(Cl)c2)CN(c2ccccc2)C2=[N+]1CCCCC2 4086843 DUDFNBDZDDTYJU-HXUWFJFHSA-N 376.307 4.644 0 40 GJAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1 4088735 GGUSPKYLJFYFIZ-UHFFFAOYSA-N 399.903 4.924 0 40 GJAB Cc1ccc(CSC2=NCCN2C(=O)c2cccc(Br)c2)cc1 4120380 FMYGSOCUNZAPDT-UHFFFAOYSA-N 389.318 4.503 0 40 GJAB O=C(C(=O)N(CCc1ccccc1)Cc1ccccc1)c1c[nH]c2ccccc12 4163017 ZZYJXSRFVTXYQI-UHFFFAOYSA-N 382.463 4.622 0 40 GJAB COCCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 4169307 VYBMXRCYAXJNGJ-UHFFFAOYSA-N 382.533 4.576 0 40 GJAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc1ccc2ccccc2c1 4385657 QJAWSRGINXHWPX-UHFFFAOYSA-N 385.511 4.943 0 40 GJAB CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)CCC)cc1 4700580 OIURDBHELOYLOL-KRWDZBQOSA-N 382.570 4.652 0 40 GJAB Cc1ccccc1-c1nnc(SCCOc2ccc(Br)cc2)o1 4927053 CDIYPRKCYWVSIY-UHFFFAOYSA-N 391.290 4.979 0 40 GJAB CCCSc1nnc2n(CCC)c3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 5065523 HTZXIXWDISRMGC-QFIPXVFZSA-N 396.560 4.694 0 40 GJAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccc(F)cc1)C3 5345789 OCJCYGPZGQTRTE-INIZCTEOSA-N 389.405 4.896 0 40 GJAB CCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2)cc1OC 6207081 FBNVWZNGGDKYEV-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB CCN(CC)c1ccc(/C=C2/SC(=O)N(C)C2=O)c(OCc2ccccc2)c1 6325315 QRVWWIATWXSXSC-DEDYPNTBSA-N 396.512 4.778 0 40 GJAB COc1ccccc1-c1nnc(SCCSc2ccccc2F)n1C 6649608 FTCMUKRVCDDTGX-UHFFFAOYSA-N 375.494 4.514 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccccc3Cl)n2)cc1 6905587 AERVIVNVAYLKLI-UHFFFAOYSA-N 385.876 4.603 0 40 GJAB Fc1ccc(C2=Nn3c(Cc4cccc5ccccc45)nnc3SC2)cc1F 7238794 MPEAUCUSZZQSAJ-UHFFFAOYSA-N 392.434 4.658 0 40 GJAB CC(C)c1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccccc1O)C3 10156949 VXAQFLOJWPJRIM-MRXNPFEDSA-N 398.466 4.533 0 40 GJAB CC(C)[C@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccccc1 10261583 BSKZGBDWNRINHG-NQIIRXRSSA-N 376.504 4.849 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)ns2)ccc1Cl 11916741 ZPGDAYFMXGTTDU-LLVKDONJSA-N 391.855 4.712 0 40 GJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(Cl)cc1 12226092 WFLQYXOXYOXGHW-UHFFFAOYSA-N 382.769 4.960 0 40 GJAB Cc1cccc(Nc2nnc(SCCC(=O)NC3CCCCC3)s2)c1C 12643718 XRANVTYHQQJRGV-UHFFFAOYSA-N 390.578 4.830 0 40 GJAB CCc1oc2ccccc2c1CN(C)CC(=O)Nc1ccc(N2CCCC2)cc1 12682242 IRMZSXGXDKTPNZ-UHFFFAOYSA-N 391.515 4.666 0 40 GJAB CN(C(=O)CSCC(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 12765619 JNSLEGDRDWJZOI-UHFFFAOYSA-N 396.556 4.816 0 40 GJAB CCOc1c(Br)cc(F)cc1NCC(=O)Nc1cc(C)ccc1C 12798587 PNZOPBMMSKEWOW-UHFFFAOYSA-N 395.272 4.654 0 40 GJAB O=C(NCc1ccccc1OC(F)(F)F)c1ccc(CN2CCCCC2)cc1 12822423 LYGAFJAMPVJVTR-UHFFFAOYSA-N 392.421 4.501 0 40 GJAB Cc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)oc2ccc(F)cc12 14126685 PZIJKOHBVKZDEF-UHFFFAOYSA-N 388.826 4.623 0 40 GJAB COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1OC 14576996 JSSMKNVUIQDGMC-VWLOTQADSA-N 389.495 4.851 0 40 GJAB CCOc1ccccc1NC(=S)N[C@H](C)c1ccc(OCC)c(OCC)c1 16317316 MIXRYFSKKPVHNK-OAHLLOKOSA-N 388.533 4.930 0 40 GJAB COc1ccc(Cc2nnc(Nc3ccc(Nc4ccccc4)cc3)nc2O)cc1 16777422 NIPBOCZGDVKYNO-UHFFFAOYSA-N 399.454 4.664 0 40 GJAB Cc1ccc([C@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)cc1 18086801 ZDZIIWQEADWNNO-XMMPIXPASA-N 384.479 4.641 0 40 GJAB CCCCn1c(=N)n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19879840 LZDIKMLPJKXVJI-SFHVURJKSA-N 378.303 4.763 0 40 GJAB O=C(CSCc1ccc(F)cc1)NCCSCc1cccc(Cl)c1 20491567 FOEPOXDWCCLRAK-UHFFFAOYSA-N 383.941 4.762 0 40 GJAB CCc1ccc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)cc1 20768063 SQQIHQJVQQSMLS-UHFFFAOYSA-N 389.480 4.546 0 40 GJAB C[C@H]1c2ccsc2CCN1Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 23909072 OOJCVQWYSOEMTP-ZDUSSCGKSA-N 393.537 4.832 0 40 GJAB Cc1c(C(=O)N2CCCCC[C@H]2c2cccn2C)[nH]c2c1C(=O)CC(C)(C)C2 25712193 FHKLQEXYKHPHED-SFHVURJKSA-N 381.520 4.574 0 40 GJAB Cc1ccc([C@@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCCCC2)cc1 27581821 FIGQDZYDADDYHP-XMMPIXPASA-N 394.559 4.841 0 40 GJAB COc1cc(/C=C\[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 33306943 YSWFNGYVJDPFJC-SREVYHEPSA-N 398.640 4.938 0 40 GJAB Cc1ccn(CCCNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)n1 36614039 CILOADUKDJKFEV-UHFFFAOYSA-N 395.816 4.823 0 40 GJAB Cc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)n(Cc2ccccc2)n1 44046666 MZJIPSOCBKKCCJ-UHFFFAOYSA-N 388.496 4.545 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(OC(C)C)cc2)cc1OC 44947748 SBOFQCZYQIGRHI-AWEZNQCLSA-N 375.490 4.610 0 40 GJAB Cc1ccc2c(Nc3ccc(Cl)c(F)c3)c(C(=O)N3CCCC3)cnc2n1 49004653 FUNHCJYCBRPCIF-UHFFFAOYSA-N 384.842 4.710 0 40 GJAB Cc1ncc(CN(C)C(=O)Nc2ccccc2N2CCc3sccc3C2)s1 58307184 WKJGHYLJEJJCKJ-UHFFFAOYSA-N 398.557 4.740 0 40 GJAB CCCCCn1c(SCc2ccc3c(c2)OCO3)nc2ccsc2c1=O 67259660 ZOCPLRMQJFKTIM-UHFFFAOYSA-N 388.514 4.669 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)cc2C)nc1 67294253 FJAITOMZFNODLO-LCUIJRPUSA-N 399.450 4.943 0 40 GJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCCN1C=O 72215895 JBDPXDSPOSYNHU-LJQANCHMSA-N 381.476 4.838 0 40 GJAB COc1cc2nc(/C=C/c3cc(Cl)c(O)c(OC)c3)sc2cc1OC 83921287 GWBXFEAUXDQRSR-SNAWJCMRSA-N 377.849 4.852 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)COc3ccccc3C(F)(F)F)c2C)no1 89578068 SCOLURJGJXUVCM-UHFFFAOYSA-N 378.350 4.671 0 40 GJAB COc1ccc(SCC2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 90608253 CSMHTLDKHDBPGJ-UHFFFAOYSA-N 377.456 4.618 0 40 GJAB COc1ccccc1COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 95349977 MZZUGARFBMVPCS-UHFFFAOYSA-N 376.456 4.642 0 40 GJAB O=C(C1[C@H]2CCCC[C@H]12)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 100773786 QTTHHWQAKPVMDW-GOTSBHOMSA-N 389.539 4.597 0 40 GJAB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1)N2)c1ccccc1 100786941 UVTDYYICUJATLY-OAQYLSRUSA-N 393.450 4.586 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2Cl)C[C@@H](c2ccccc2O)C1 102601242 YFGMLQVDSWYVQU-ODXCJYRJSA-N 392.846 4.702 0 40 GJAB COc1ccc(OC[C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1 219002604 GZVCNDXSLAVAGY-LJQANCHMSA-N 389.495 4.678 0 40 GJAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3cc(C)c(C)cc3C)ccc2c1 223500529 ZYDADAGMAGKJAO-KRWDZBQOSA-N 383.513 4.813 0 40 GJAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NC1CCCCC1 225157793 KKICCIZDKBEFFK-LJQANCHMSA-N 378.944 4.696 0 40 GJAB CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 225412900 BXCQTOJTKKQVJU-LAUBAEHRSA-N 384.951 4.992 0 40 GJAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C(C)C 225664501 NADCKJKXWLNKRN-UHFFFAOYSA-N 382.504 4.908 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225824630 CHRNMLYAVIZWIH-VFNWGFHPSA-N 379.497 4.574 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(c3cccs3)CCCC2)c1 225864406 NSSDZYUGCCXVNF-UHFFFAOYSA-N 388.558 4.989 0 40 GJAB CN(C(=O)C(F)(F)F)c1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 226280843 NVGKUWVHBXDHSQ-UHFFFAOYSA-N 381.737 4.639 0 40 GJAB Cc1ccccc1CN1CCO[C@@H](c2cccc(Nc3nc(C)c(C)s3)n2)C1 257338962 YZQBCBZTVYXWAJ-HXUWFJFHSA-N 394.544 4.780 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(Cl)cc1Cl 408556338 HTTFECVQTLWCFZ-UHFFFAOYSA-N 394.707 4.524 0 40 GJAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cccc(OC)c1 408563362 VMFKKFIXIRHRPJ-FCQUAONHSA-N 380.513 4.911 0 40 GJAB O=C(NC(=S)Nc1ccc(F)cc1F)c1cccc(OCc2ccccc2)c1 408623914 SQTPEZNYAWJKCP-UHFFFAOYSA-N 398.434 4.671 0 40 GJAB CCCCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c(O)c1 408628416 STLLZWGEJOEEPZ-UHFFFAOYSA-N 383.473 4.512 0 40 GJAB COc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(Cl)cc2)cc1 408842874 LKMJPQXEPZYQTR-XSFVSMFZSA-N 389.842 4.578 0 40 GJAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccccc1C(F)(F)F 408982412 DMIOBEITSMFBAE-ZROIWOOFSA-N 396.162 4.812 0 40 GJAB CC(F)(F)c1ccccc1NC(=O)N1CCN(c2cccc3[nH]ccc23)CC1 529107178 ABPUYYSUKOHCRZ-UHFFFAOYSA-N 384.430 4.634 0 40 GJAB CC[C@@H](CSc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 1230688069 ZZSNRIZIJAWTPY-MPGHIAIKSA-N 386.483 4.931 0 40 GJAB O=C(Nc1ccc(CCN2CCCC2)cc1)c1cccc(CN2CCCCC2)c1 1543817618 NQLHSKALSZPIFT-UHFFFAOYSA-N 391.559 4.563 0 40 GJAB Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc(F)cc4)cc3)nc2c1 1652247472 XPQBJRYOUMPJTC-UHFFFAOYSA-N 376.387 4.960 0 40 GJAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCc1cccnc1 939537 CCRNTWKJEGDFHW-UHFFFAOYSA-N 376.243 4.725 0 40 GJAB c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccco4)=NN23)cc1 949662 OJRRKHCYTNMAJL-JOCHJYFZSA-N 399.494 4.815 0 40 GJAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 1058016 DJSAESLZQSCBQB-NFJKTXFASA-N 399.877 4.911 0 40 GJAB biogenic CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc3[nH]c(C)c(C)c3c2)o1 1223298 HEQXIJYWSJUSPV-MRXNPFEDSA-N 398.532 4.718 0 40 GJAB CCc1cccc(-n2c(N)c(C(=O)O[C@@H](C)CC)c3nc4ccccc4nc32)c1 2235348 AVWOSUVSYUEFDM-AWEZNQCLSA-N 388.471 4.674 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(F)cc2)s1 4072412 DLHAOSIVJHCDPM-UHFFFAOYSA-N 398.246 4.669 0 40 GJAB CCN(CC)CCN(C(=O)c1cccs1)c1nc2c(F)cc(F)cc2s1 4359504 DLKYBNKJJQFAFY-UHFFFAOYSA-N 395.500 4.625 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cccc(SC)c3)n2)c(OC)c1 4517505 AIVFVMLFKWCUGC-UHFFFAOYSA-N 386.498 4.802 0 40 GJAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3c(CC)cccc3CC)CC2=O)cc1 4700031 JYVQFJWLOJOGBJ-IBGZPJMESA-N 394.515 4.592 0 40 GJAB CC[C@@H](C)NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 5043386 PEGYPUSVUKPHLJ-LLVKDONJSA-N 387.427 4.542 0 40 GJAB CC[C@@H](C)Cn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 5455055 VQVTVPLYBOPDBM-SJORKVTESA-N 377.488 4.612 0 40 GJAB COc1cc(OC)cc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 5497234 FVXSPTBDAPOELF-UHFFFAOYSA-N 379.412 4.514 0 40 GJAB O=C(COC(=O)c1ccc(F)cc1F)Nc1ccccc1Sc1ccccc1 6354724 HZUSHODXOQQOIU-UHFFFAOYSA-N 399.418 4.912 0 40 GJAB Fc1ccc(OCCCSc2ncnc3c2cnn3-c2ccccc2)cc1 6579967 OGGIGLCKESVBJA-UHFFFAOYSA-N 380.448 4.516 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 6654312 NCWUROWTKMZOOU-UHFFFAOYSA-N 394.902 4.529 0 40 GJAB COc1cc(NC(=O)CSc2nc(-c3ccccc3)cs2)cc(OC)c1 6839474 ODLUEVONQVOYLO-UHFFFAOYSA-N 386.498 4.558 0 40 GJAB CCCCNC(=S)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 7345548 FWSAUBLMROWVMP-QGZVFWFLSA-N 382.360 4.875 0 40 GJAB Cc1cccc(C)c1OC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7928809 LLLPPLURFNIXKZ-CYBMUJFWSA-N 378.255 4.569 0 40 GJAB c1ccc(-c2cc3c(Sc4nnc(NC5CC5)s4)ncnc3s2)cc1 8192373 NMRQHNMBGPUCGW-UHFFFAOYSA-N 383.527 4.935 0 40 GJAB CCc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)cc1 8433665 DEBQGHTWAPEISM-UHFFFAOYSA-N 375.424 4.837 0 40 GJAB CCN(CC)C(=O)c1sc2nc(-c3cccs3)c3c(c2c1N)CCCC3 8742331 ZQUFOGLRTGMPDK-UHFFFAOYSA-N 385.558 4.968 0 40 GJAB Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)Nc2cccc(F)c2)cc1 9132216 RUHXNEOAZHLWEY-INIZCTEOSA-N 395.459 4.511 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Cl)C(C)(C)C)cc2c1 9462798 HEGHXLBKRWDXSM-UHFFFAOYSA-N 382.891 4.931 0 40 GJAB Oc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 10215382 PZVFKUIUSYFCLE-PZJWPPBQSA-N 377.831 4.683 0 40 GJAB Cc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc1 11693794 GJHKPWXAZRMOGS-UHFFFAOYSA-N 380.498 4.926 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c1 12041372 XHDPYQMQFJPTMH-UHFFFAOYSA-N 377.440 4.556 0 40 GJAB CCC[C@@H](C(=O)Nc1ccccc1I)c1ccccc1 14429456 QQTBQYAUYWXGNJ-CQSZACIVSA-N 379.241 4.814 0 40 GJAB c1ccc(C2=N[C@H](N3CCCCC3)[C@H](N3CCCCC3)N2c2ccccc2)cc1 19328770 PBHACELTUMHJRL-JWQCQUIFSA-N 388.559 4.577 0 40 GJAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 20030113 YIBIWEUZSHMJND-UHFFFAOYSA-N 381.354 4.924 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)ccc1Cl 20460496 OKGXGCPPKQWVNK-LLVKDONJSA-N 382.243 4.576 0 40 GJAB Cc1cc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c2c(C)noc2n1 21997683 DIOQXTLXADWVML-UHFFFAOYSA-N 390.877 4.930 0 40 GJAB CSc1ccc(CN(C)C(=O)CSCc2nc3ccccc3s2)cc1 22442249 DKGAFQJUJQYROZ-UHFFFAOYSA-N 388.583 4.910 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1SCC(F)(F)F 22522643 WKLBDLXQPDFXCZ-UHFFFAOYSA-N 396.312 4.887 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2ccn(Cc3cccc(F)c3)n2)c1 27916574 XQRVTKYOMIQMMD-UHFFFAOYSA-N 375.856 4.698 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2Cl)cc1Cl 28184210 OMOHJSVDQMXQCR-UHFFFAOYSA-N 383.300 4.612 0 40 GJAB Clc1ccccc1-c1ccc(CNCc2cccnc2N2CCOCC2)s1 30901533 RCXXVNRIPWZHNA-UHFFFAOYSA-N 399.947 4.590 0 40 GJAB O=C(CCc1cccc(Cl)c1Cl)Nc1cccc(NC(=O)NC2CC2)c1 32924505 HWCSDVNVHRUZSI-UHFFFAOYSA-N 392.286 4.849 0 40 GJAB Cc1ccc(NC(=O)N2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccc(C)cc2)C3)cc1 35311797 ODYRGRLUHYUWFZ-FRIKZZABSA-N 391.515 4.651 0 40 GJAB CCOc1ccccc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 35314149 PIABKGLCXLVHEI-UHFFFAOYSA-N 381.501 4.550 0 40 GJAB Cc1ccc(C)c(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)c1 41076957 JOCBBRHIUXCUAN-UHFFFAOYSA-N 377.488 4.835 0 40 GJAB O=C(NC1(c2ccc(Br)cc2)CC1)c1csc(-c2ccco2)n1 48375095 FLHYWQXRWHZKRI-UHFFFAOYSA-N 389.274 4.585 0 40 GJAB Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc(=S)n1-c1ccccc1 72408174 JREIRYRAMQCFII-UHFFFAOYSA-N 379.869 4.895 0 40 GJAB CCOc1ccccc1NC(=O)NC[C@@](C)(O)c1ccc(-c2ccccc2)cc1 77184419 BXOBIAYENBJJHF-XMMPIXPASA-N 390.483 4.782 0 40 GJAB Cc1ncc(C(=O)Nc2nc3c(C)cccc3s2)c(Br)c1Cl 89689023 GAMVSZLCIJJETC-UHFFFAOYSA-N 396.697 4.976 0 40 GJAB COc1ccccc1[C@H]1SC(C)=Nc2c1c(O)nn2[C@H]1CCOC(C)(C)C1 95475597 HYTRLZZPWOBMGQ-SUMWQHHRSA-N 387.505 4.614 0 40 GJAB Cc1ccccc1NC(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1 96038091 KKSJAKJJUYDCNP-UHFFFAOYSA-N 393.450 4.748 0 40 GJAB C[C@@H](NC(=O)c1cc(Br)ccc1OC(F)F)[C@H]1C[C@H]2CC[C@H]1C2 103152833 NCROOAVJCNIGNZ-MPPDQPJWSA-N 388.252 4.605 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCN(C)c1ccccc1 219345775 OYWKRIJNUYNRQN-QFIPXVFZSA-N 376.500 4.640 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)ccc1Cl 219593676 RBGGERSOBJJIFC-GOSISDBHSA-N 375.852 4.621 0 40 GJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 219614115 ZNLGPVPIJYAXRQ-ZWKOTPCHSA-N 391.895 4.782 0 40 GJAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cccc(C)c1 224113627 AMWHOWSDHGBVFM-UHFFFAOYSA-N 375.468 4.855 0 40 GJAB Cc1ccnc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 225535596 WROGXJPGZXNKCI-UHFFFAOYSA-N 381.476 4.595 0 40 GJAB Clc1ccc(CN2CCCC[C@@H]2c2ccc(Nc3ncccn3)nc2)cc1 257206224 BCLSRNITJIFOIQ-LJQANCHMSA-N 379.895 4.996 0 40 GJAB Cc1cc(C)cc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 408714019 GPMREEFNTYFWEA-UHFFFAOYSA-N 377.488 4.923 0 40 GJAB COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc12 408935170 MUGQRXVMMLIMIU-UNOMPAQXSA-N 392.842 4.595 0 40 GJAB O=C1N/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1C1CCCCC1 409084752 XXUFWQBIMWVNCH-STZFKDTASA-N 394.446 4.630 0 40 GJAB O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 507388446 FZMPEFHKKYSIFF-OLKYXYMISA-N 388.511 4.937 0 40 GJAB C[C@H]1CCc2c(C(=O)N3CCC(Oc4cncc(Cl)c4)CC3)csc2C1 560654862 GUBFRKNSVJNECY-ZDUSSCGKSA-N 390.936 4.605 0 40 GJAB O=C(c1ccc(COc2cc(F)ccc2F)cc1)C(F)(F)Br 575358270 PGCNCUXZPVFESG-UHFFFAOYSA-N 377.131 4.714 0 40 GJAB FC(F)(F)c1cccc([C@H](NCc2nc(-c3ccco3)no2)C2CCC2)c1 585081353 KNMZGNYLHFTKFF-QGZVFWFLSA-N 377.366 4.979 0 40 GJAB O=C(Nc1cccc(COc2ccc(F)cc2)c1)N1CCC(c2ccon2)CC1 585101355 AGZKWRBXGGTAAB-UHFFFAOYSA-N 395.434 4.804 0 40 GJAB O=C(C1CCC1)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262748 BVKLOHUBWBJKAU-INIZCTEOSA-N 394.906 4.556 0 40 GJAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(C)c1 648659 OOPXDPBLSMJMAY-UHFFFAOYSA-N 382.467 4.868 0 40 GJAB CC[C@@H](Sc1nc2ccc(N)cc2s1)C(=O)Nc1ccc(C(C)=O)cc1 787324 OMXKVJCHPLFHRE-MRXNPFEDSA-N 385.514 4.591 0 40 GJAB CC(C)(C)c1ccc2c(c1)O[C@](NC(=O)Nc1cccc(F)c1)(C(F)(F)F)O2 937888 GCFWMRNEBCIKRN-IBGZPJMESA-N 398.356 4.932 0 40 GJAB COc1cc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)cc(OC)c1 1342834 VUCMTOOZJCISPX-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnc(SC/C=C/c2ccccc2)o1 2453860 PCKCLAQSWPIHIX-YCABEKBOSA-N 387.505 4.947 0 40 GJAB Cc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccs1 3169056 OKBNFEWQTZGGJE-UHFFFAOYSA-N 396.497 4.544 0 40 GJAB FC(F)(F)c1cccc(-c2csc(Cc3nnc4n3CCCCC4)n2)c1 3236447 FXEINUKOTIQHKP-UHFFFAOYSA-N 378.423 4.738 0 40 GJAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2CC)cc1 3501587 DHSZWXPLBNXUKU-OAHLLOKOSA-N 381.501 4.727 0 40 GJAB COc1ccc(C(=O)NCCc2ccco2)cc1C12CC3CC(CC(C3)C1)C2 4770103 BXLHFJWZAWOZPB-UHFFFAOYSA-N 379.500 4.729 0 40 GJAB C[C@@H](NC(=O)C(O)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4812330 DYMJFXXSSDSATL-YHLJFGAHSA-N 389.539 4.644 0 40 GJAB C[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)Nc1ccc(F)cc1Cl 5174738 TUCKLSVIRQSKFR-NSHDSACASA-N 393.846 4.923 0 40 GJAB O=C(/C=C/c1ccccc1)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 5389813 RXXURPGSOGAPJQ-HDFLXWFESA-N 379.475 4.734 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c2c(C)c(C)sc2n1 5429081 KCGXOGYVOQPYAQ-PSOPSSQASA-N 377.579 4.792 0 40 GJAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 6569587 RRJCIDQBWLGILD-UHFFFAOYSA-N 381.545 4.927 0 40 GJAB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)n2)cc1 6581840 YRNDIIAQTAJVQX-ZDUSSCGKSA-N 392.484 4.634 0 40 GJAB Cc1cccc(COc2ccc([C@H]3S[C@@H](C)C(=O)Nc4[nH]nc(C)c43)cc2)c1 6678689 UCHWIYCNBSNFAQ-MGPUTAFESA-N 393.512 4.769 0 40 GJAB COc1cc(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)ccc1C 7117603 CDXIJXXYEQJGMD-UHFFFAOYSA-N 391.467 4.521 0 40 GJAB Cc1cccc(CSC2=NCCN2C(=O)COc2ccc3ccccc3c2)c1 7346273 JGFUWAHDCFAOFY-UHFFFAOYSA-N 390.508 4.659 0 40 GJAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)c1ccc2c(c1)CCCC2 7799633 ACIHLXAGAKESOL-UHFFFAOYSA-N 390.512 4.529 0 40 GJAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1F 8268872 PVZHSSMHTWQXKV-UHFFFAOYSA-N 392.902 4.530 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1-c1ncc(-c2ccccc2)o1 8327836 FZDYYYKJLKJUSM-UHFFFAOYSA-N 398.418 4.667 0 40 GJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2ccccc2)c1 8391610 NPEJRJHNECUCOF-UHFFFAOYSA-N 376.481 4.978 0 40 GJAB CCC(=O)Oc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2 8764742 ZNOCMZFLGYRJQR-UHFFFAOYSA-N 378.424 4.879 0 40 GJAB biogenic CCOc1cccc2sc(N(CCCN(C)C)C(=O)C3CCCCC3)nc12 10067945 JIBYJXJRKIGGDS-UHFFFAOYSA-N 389.565 4.560 0 40 GJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NC(c1ccccc1)c1ccccc1 11636954 AEWMRKCDKPMQQP-JOCHJYFZSA-N 375.468 4.758 0 40 GJAB Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3cccc4ccccc34)CC2)c1C 13709503 JFQKEHCEUVJYPY-HXUWFJFHSA-N 388.511 4.573 0 40 GJAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)C(C)(C)C)ccc3c2C)c1 15729354 BTRIQFFLBXDOKF-UHFFFAOYSA-N 395.455 4.974 0 40 GJAB biogenic COc1cccc(NC(=O)c2sc(N3CCCC3)nc2-c2ccccc2)c1 19542498 VXDCXPGWFURYIV-UHFFFAOYSA-N 379.485 4.671 0 40 GJAB COc1ccc2nc(C)c(C(=O)N(Cc3ccccn3)C3CCCC3)cc2c1 19582569 RJTCCTQVQXVEME-UHFFFAOYSA-N 375.472 4.532 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1Cl 20457405 POIIMGNCMMKURB-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)/C=C/c3ccco3)n2)cc1 22462024 ORQJCGDNAQPBOG-OUKQBFOZSA-N 387.395 4.657 0 40 GJAB C[C@]1(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1(Cl)Cl 26083572 USNPKCVLSLIBLC-QGZVFWFLSA-N 398.311 4.636 0 40 GJAB O=C(CSc1nc2cc(C(=O)O)ccc2o1)Nc1ccc(Cl)cc1Cl 30953289 GMYNAYWCNGTGCA-UHFFFAOYSA-N 397.239 4.564 0 40 GJAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)Cc1ccc(Cl)cc1 32072879 HNJNQJBYPMWPBZ-UHFFFAOYSA-N 393.830 4.733 0 40 GJAB CCCCNc1nc(S[C@H](CC)C(=O)NCc2ccco2)nc2ccccc12 34138630 VDVURGLLPGMYGK-GOSISDBHSA-N 398.532 4.622 0 40 GJAB COc1ccccc1-c1n/c(=N\c2ccccc2)sn1-c1ccccc1OC 34229830 XTHRTBCPBWJYRO-GHVJWSGMSA-N 389.480 4.850 0 40 GJAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 36703956 WYHDVSHGHRSJAV-CYBMUJFWSA-N 395.528 4.994 0 40 GJAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc(Br)c[nH]1 39984241 ACMNUJICHHYDSN-GOSISDBHSA-N 384.229 4.558 0 40 GJAB Cc1nn(C)c(C)c1NC(=O)c1cc2oc(-c3ccccc3Cl)cc2n1C 40283445 RIJSYUVKVMDTBJ-UHFFFAOYSA-N 382.851 4.694 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478275 XPAZIPAGXXTMCZ-UHFFFAOYSA-N 376.641 4.745 0 40 GJAB C[C@@H]1CCCN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3[nH]c2=O)C1 57740243 JIPREIDXBGJOPH-GOSISDBHSA-N 398.510 4.613 0 40 GJAB CC(C)c1nc(CCNC(=O)c2cc(Br)ccc2Cl)cs1 58309647 RQKGUAODAWLQHR-UHFFFAOYSA-N 387.730 4.655 0 40 GJAB CN(C)[C@H](CNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(F)cc1 59394250 UXPFWYRMHWNMKG-MRXNPFEDSA-N 378.373 4.503 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCC[C@@H]1C1CCCCC1 72273612 MTBDWXRKRMMROS-JOCHJYFZSA-N 394.563 4.862 0 40 GJAB COc1ccc([C@@H](CO)N(C)c2ncnc3sc(-c4ccccc4)cc23)cc1 72307700 TVANFZZFDGQATD-LJQANCHMSA-N 391.496 4.537 0 40 GJAB Cc1ccccc1Cc1cccc(C2CCN(C(=O)c3scnc3C)CC2)n1 72349845 XDAPSCPEWGBGTH-UHFFFAOYSA-N 391.540 4.766 0 40 GJAB O=S(=O)(Nc1cnc2ccccc2c1)c1cc(Cl)c(Cl)cc1Cl 72414273 LLSSIXOOXSYQFX-UHFFFAOYSA-N 387.675 4.996 0 40 GJAB O=C(CCSc1ccccc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200212 MFCDGWBJAHJWJY-OALUTQOASA-N 398.528 4.845 0 40 GJAB COc1cccc(CC(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1 83973312 UNLXYBFMOQFPGQ-UHFFFAOYSA-N 382.847 4.504 0 40 GJAB Cc1cc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)c2c(C)noc2n1 84083202 OIFABQDZIDZJBP-UHFFFAOYSA-N 378.259 4.509 0 40 GJAB Cc1cc(NC(=O)[C@H](C)Nc2cccc(-c3nc4ccccc4s3)c2)on1 84124464 CPSGTJHRGBPWGN-ZDUSSCGKSA-N 378.457 4.699 0 40 GJAB CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccccc3N3CCCCCC3)cc21 89919734 PXPXPNMPMOHBOF-UHFFFAOYSA-N 377.488 4.549 0 40 GJAB O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(Cl)s1 90607119 JYFKAZSEBQOXQZ-UHFFFAOYSA-N 386.908 4.705 0 40 GJAB CCc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)cc1 96062671 UZOGRMZJMCMQJF-UHFFFAOYSA-N 395.466 4.727 0 40 GJAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3ccncc3)CC2)c1 100744878 KOFJCOSIZKDBTC-MAEOIBBWSA-N 394.544 4.556 0 40 GJAB Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 205619074 ZVTBCTDETHIAGZ-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB CCCOc1ccccc1CCCNC(=O)c1cc2ccccc2cc1OC 219392675 KPMLBABMUPIACF-UHFFFAOYSA-N 377.484 5.000 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)c1ccccc1 219576570 ZDRGBZLOWBTIQH-FQEVSTJZSA-N 377.415 4.853 0 40 GJAB CC[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 223077318 FEFJNTGHMKEONQ-HXUWFJFHSA-N 395.927 4.929 0 40 GJAB Cc1c(Br)cnc(NC(=S)NC2CCCCCC2)c1Cl 224040770 MAWNGOYKYJKHAY-UHFFFAOYSA-N 376.751 4.815 0 40 GJAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1OC 224238432 ILZZVJCCTPCBAJ-UHFFFAOYSA-N 395.499 4.903 0 40 GJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225730486 WMGNRTUKRYXMPA-YYDVJCTNSA-N 390.568 4.577 0 40 GJAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 226285583 AKLRTKOTTVAUEU-UHFFFAOYSA-N 376.334 4.600 0 40 GJAB CC(=O)N1CC2=C(C1=O)[C@H](C1CCCCC1)c1cn(C(C)C)c3cccc(c13)N2 263584926 CEWCMMOZSACDDB-OAQYLSRUSA-N 391.515 4.954 0 40 GJAB biogenic O=C(NC(=S)Nc1ccc(F)cc1F)c1ccc(OCc2ccccc2)cc1 408623740 RSLNRJJZGJIZGV-UHFFFAOYSA-N 398.434 4.671 0 40 GJAB O=c1c(Oc2ccc(-c3ccc(Br)cc3)cc2)nccn1C(F)F 558003555 QYAOOGYMSWKLSV-UHFFFAOYSA-N 393.187 4.860 0 40 GJAB CCc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)cc1 1615157409 NLMSCBQHNQMLGS-KNQAVFIVSA-N 380.507 4.908 0 40 GJAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 681050 URUWQZXSZPASDA-UHFFFAOYSA-N 389.691 4.782 0 40 GJAB COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)cc1Cl 691543 GNOGOHMPHOTWSE-UHFFFAOYSA-N 387.892 4.672 0 40 GJAB O=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2cccs2)CC1 783852 FBLZSNQIVFKQER-UHFFFAOYSA-N 383.300 4.546 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)cc1 792531 TVQHBFBKQHYKCI-UHFFFAOYSA-N 382.479 4.614 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 814037 LKFYDZYHIBLKMS-UHFFFAOYSA-N 380.256 4.814 0 40 GJAB Cc1ccc(NCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)c(C)c1 870437 IXJMDBKTFSGCAM-UHFFFAOYSA-N 396.516 4.646 0 40 GJAB CCCC(=O)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 1444406 HFFVPWOBVWRQPJ-UHFFFAOYSA-N 390.314 4.850 0 40 GJAB CCOC(=O)c1ccc(N2C(=O)[C@](Cl)(c3ccccc3)[C@H]2c2ccco2)cc1 1589520 FWKHHZHUPJRWLK-KNQAVFIVSA-N 395.842 4.679 0 40 GJAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 1787462 BRWATYOFZZBMCN-FNORWQNLSA-N 384.646 4.842 0 40 GJAB O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)c1ccc(C2CCCCC2)cc1 3318452 QSNIAKOGORIOJK-NTUHNPAUSA-N 392.451 4.902 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)COc3ccc4c(c3)OCO4)ccc21 3352442 JZGVFFDHAGWUAR-UHFFFAOYSA-N 388.423 4.561 0 40 GJAB O=C(Cc1c(Cl)cccc1Cl)Nc1nnc(-c2ccc(Cl)cc2)o1 3459331 ORPSCAALFFWMQT-UHFFFAOYSA-N 382.634 4.878 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)c1C 4843529 VUPMHYMKHKMHKM-UHFFFAOYSA-N 376.485 4.539 0 40 GJAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 5047181 PEEFZWHLGWFFPV-HNNXBMFYSA-N 377.510 4.974 0 40 GJAB Oc1ccccc1-c1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 5648967 VJEYWADLANULRT-UHFFFAOYSA-N 384.464 4.676 0 40 GJAB CCCn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1ccc(Cl)cc1 6947996 FZGMHBOYFFYWDY-CQSZACIVSA-N 392.956 4.502 0 40 GJAB CCc1ccc(NC(=O)Cc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 7845872 SSNSIYGSPBRBOU-UHFFFAOYSA-N 379.485 4.512 0 40 GJAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 8493035 VPJFXGRXNVKFFN-UHFFFAOYSA-N 380.469 4.574 0 40 GJAB O=C(CSC1=Nc2cccnc2Nc2ccccc21)Nc1ccc(F)c(F)c1 9854391 PMDNOMSRKPWDOC-UHFFFAOYSA-N 396.422 4.867 0 40 GJAB COc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)cc1 11614483 OOIXAEFDEPMYGW-NRFANRHFSA-N 383.403 4.551 0 40 GJAB Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccccc4F)ccc3C(=O)O2)cc1 12274861 CWWXNIPUUOJBCA-NRFANRHFSA-N 375.399 4.841 0 40 GJAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1 12596807 MSBDGFUTQMCLPT-MRXNPFEDSA-N 392.455 4.935 0 40 GJAB Fc1ccc(-c2cc3ncnc(NC[C@@H]4COc5ccccc5O4)c3s2)cc1 12690155 CDAUCIIHUTUVGG-OAHLLOKOSA-N 393.443 4.749 0 40 GJAB Cc1nc(N2CCN(c3ccccc3C)CC2)c2c3c(sc2n1)CCCCC3 13041281 QRBUGRPGDRKQAA-UHFFFAOYSA-N 392.572 4.904 0 40 GJAB Cc1cccc(OCc2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)c1 13570414 FCWXJXUCIPKDKT-UHFFFAOYSA-N 383.517 4.580 0 40 GJAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCC(C)C)CC1=O 13759243 NLENSOBLRDSJSC-QGZVFWFLSA-N 377.488 4.612 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCOc3ccccc3)cccc2c1=O 16009280 YXMPYIONXRQWNW-UHFFFAOYSA-N 399.446 4.577 0 40 GJAB C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)N1CCCc2ccccc21 19298278 WWHMDQDQNJIVKH-AWEZNQCLSA-N 381.476 4.676 0 40 GJAB Cc1noc2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc(C(F)F)c12 19563792 JMSASYGYPXHRJJ-CQSZACIVSA-N 377.435 4.755 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc2ccccc12 20454523 RCLQEGKUZKSNME-FQEVSTJZSA-N 377.440 4.813 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@H](C)c3ccccc3)c12 21960673 QLQZVZXIHCRQQK-CYBMUJFWSA-N 375.403 4.828 0 40 GJAB O=C(Nc1ccc(F)cc1Cl)c1csc(COc2ccc(F)cc2)n1 23074372 GZTCHEQECGGQRH-UHFFFAOYSA-N 380.803 4.906 0 40 GJAB CC(C)Oc1ccc(C(=O)NCc2ccc(-c3nc4cnccc4o3)cc2)cc1 32095807 ZZIOQQQNLMGWHJ-UHFFFAOYSA-N 387.439 4.607 0 40 GJAB O=C(CCc1ccccc1F)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 32716536 PAKOXCGOQKJVRS-INIZCTEOSA-N 384.476 4.580 0 40 GJAB CCOc1ccccc1NC(=O)c1nn(-c2ccc(C)c(F)c2)c2c1CCCC2 33148939 LJRRRZNATOSZTM-UHFFFAOYSA-N 393.462 4.850 0 40 GJAB Cc1ccc([C@H](C)NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c(C)c1 36616021 FHWXFMYFQBFCSA-HNNXBMFYSA-N 388.471 4.645 0 40 GJAB CCN(C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2C)c1ccccc1 36616706 BOVNCJINMYFWSH-UHFFFAOYSA-N 384.483 4.919 0 40 GJAB C[C@H](CCc1ccco1)NC(=O)CCn1ccc2c(Br)cccc21 40288529 LNKODAGWGMPRPO-CQSZACIVSA-N 389.293 4.524 0 40 GJAB Cc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)NC2CCCCC2)c1C 57587031 KQPQPWXAUVYWBA-UHFFFAOYSA-N 395.551 4.670 0 40 GJAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)ccc1OC(C)C 60479525 CBLRYWBWOMVRIV-UHFFFAOYSA-N 384.501 4.716 0 40 GJAB Cn1c([C@@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc2)nc2ccccc21 62582473 BMFFTEXVBYNDPI-QHCPKHFHSA-N 381.479 4.581 0 40 GJAB O=c1[nH]c(Nc2cccc(C(F)(F)F)c2)nc2nccc(-c3ccsc3)c12 66091640 DBALIBYCTGZUQP-UHFFFAOYSA-N 388.374 4.809 0 40 GJAB Cc1nc(C)c2c(C)c(C(=O)N3C[C@H](c4ccccc4)OCC3(C)C)sc2n1 66760082 WDBLCFHYXFJTCY-QGZVFWFLSA-N 395.528 4.609 0 40 GJAB COc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)cn1 69487054 ZNQQVLQCOINONK-UHFFFAOYSA-N 383.451 4.795 0 40 GJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)NC(=O)CS2 69757837 DNZPGPWTIBHJRK-HKUYNNGSSA-N 395.528 4.921 0 40 GJAB CC[C@@H](NC(C)=O)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 71405432 JINVBWLXRGBBEH-MRXNPFEDSA-N 376.287 4.979 0 40 GJAB CCO[P@@](=O)(C(NC(=O)c1ccccc1)=C(Cl)Cl)N1CCCCC1 72238703 XYSAOWOUNIIYAL-DEOSSOPVSA-N 391.235 4.736 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1 109367027 JXQRSFDCCVODSW-UHFFFAOYSA-N 375.906 4.898 0 40 GJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C 118932762 DSIXHBFXZSSULK-BFILXVKISA-N 387.608 4.935 0 40 GJAB CCCC[Sn]1(CCCC)OC(=O)c2cc(C)ccc2O1 195998235 VETAQHGIJKJLOZ-UHFFFAOYSA-L 383.076 4.587 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 222915838 XYTHVHWCEJBLCP-JOCHJYFZSA-N 398.522 4.629 0 40 GJAB Cc1ccccc1O[C@H](C)C(=O)Nc1nnc(SCc2ccccc2)s1 225223460 QYFMPDVUGZVRAR-CQSZACIVSA-N 385.514 4.545 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1C(C)C 225686541 GSCLDBRQBHKMSU-QGZVFWFLSA-N 375.534 4.783 0 40 GJAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1CCCCC1 226330266 DSPHDNFUYVIGRY-UHFFFAOYSA-N 388.309 4.582 0 40 GJAB O=C(NC(=S)Nc1ccccc1F)c1cccc(OCc2ccccc2)c1 408625261 XEDJIWIXMDWVMS-UHFFFAOYSA-N 380.444 4.532 0 40 GJAB Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)c1 408649842 AKIWFUDWEGLUNC-OAQYLSRUSA-N 385.463 4.929 0 40 GJAB O=C(c1cccc(C(F)F)c1F)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 528904920 WMLDURVYEFQEGZ-HNNXBMFYSA-N 386.377 4.526 0 40 GJAB O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)N1C[C@H]2CC[C@H]1[C@H](CO)C2 665984701 SFXUHMQFFRKDKE-KPHUOKFYSA-N 388.870 4.771 0 40 GJAB Cc1ccc(-c2cc(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)n2)o1 2037873505 RFRKWZHWJOPYLR-UHFFFAOYSA-N 388.851 4.889 0 40 GJAB CCCc1cc(C(=O)Nc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n(C)n1 633076 UYBWCYBBJRQZRI-UHFFFAOYSA-N 381.863 4.509 0 40 GJAB COc1ccc(NC(=O)c2sc3nc(C)cc(-c4ccncc4)c3c2N)cc1 1053308 PQVWGWYZSYSNPR-UHFFFAOYSA-N 390.468 4.510 0 40 GJAB COC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2)sc2c1CCCC2 1100003 IRDKUDUWNPDNDM-UHFFFAOYSA-N 395.933 4.798 0 40 GJAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 1100228 FNEAANKECIZOCO-UHFFFAOYSA-N 395.484 4.748 0 40 GJAB COc1ccc(CN(CC[C@@H](c2ccco2)c2ccccc2OC)C(C)=O)cc1 2218559 MMLYJNMQWBVBNG-JOCHJYFZSA-N 393.483 4.868 0 40 GJAB O=C(c1cc(Br)ccc1O)N(Cc1ccco1)Cc1cccs1 2635220 BFTONDAZOSDLSW-UHFFFAOYSA-N 392.274 4.652 0 40 GJAB COc1cccc(/C=C/C(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)c1 3236479 OXPCGFOXTZECEV-YAOQVBECSA-N 397.902 4.859 0 40 GJAB FC(F)Sc1ccc(NC(=S)N2CCN(c3ccccc3)CC2)cc1 3330362 YWRCWQAYPJEPOR-UHFFFAOYSA-N 379.501 4.520 0 40 GJAB COc1ccc(CN(C)C(=O)CC(c2ccccc2)c2ccccc2)cc1OC 3504419 FMMJLAUYGMXSHC-UHFFFAOYSA-N 389.495 4.884 0 40 GJAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1c(Cl)cccc1Cl 3508300 YCJBLYKKXLJKPY-UHFFFAOYSA-N 388.250 4.871 0 40 GJAB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C=C(C(C)(C)C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3849813 NFVZMTPMHRVCTP-OPCJHPJGSA-N 382.544 4.961 0 40 GJAB O=C(c1cc(Cl)sc1Cl)N1CCN(c2nc3ccccc3s2)CC1 4088306 GHWOCGBVEMOVDD-UHFFFAOYSA-N 398.340 4.627 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(COc3ccccc3)o2)sc(C)c1C 4538391 ZDXNYMRDWMDIFX-UHFFFAOYSA-N 399.468 4.966 0 40 GJAB CCCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@@H](C)CCC)cc1 5965690 MGMDGDIJTYZASL-UGSOOPFHSA-N 389.521 4.751 0 40 GJAB C[C@@H](c1ccccc1)n1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O 6079078 YDAGQJLCJAXLMG-HNNXBMFYSA-N 380.513 4.713 0 40 GJAB Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)cc1Cl 6152697 NAVGADIEEOEJBT-UHFFFAOYSA-N 384.863 4.543 0 40 GJAB COc1ccc(Br)c(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 6331695 DVGZCRXQDXBOAH-UHFFFAOYSA-N 397.681 4.973 0 40 GJAB Cc1ccc2nc(CSCCOc3ccc(C(C)C)c(C)c3)cc(=O)n2c1 6606516 UAXBCMKFKKUBRX-UHFFFAOYSA-N 382.529 4.747 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(C)c3ccccc3)c2n1 6832121 UXUJINYELXYOFV-UHFFFAOYSA-N 375.255 4.892 0 40 GJAB O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cc(Cl)ccc1Cl 6876440 CFAZAGUZLZRVRY-UHFFFAOYSA-N 395.217 4.943 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1Cl 6883005 ANNQJOYTCIDSLM-UHFFFAOYSA-N 377.271 4.872 0 40 GJAB COc1ccc(Cl)cc1NC(=O)COc1ccc(OCCC(C)C)cc1 6883354 DMRYYZPZTZXUFR-UHFFFAOYSA-N 377.868 4.791 0 40 GJAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)CNCc1ccccc1 6933030 HKQCBICFBAZMCN-RXBPMRIASA-N 391.555 4.769 0 40 GJAB biogenic CCOc1c(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC 6958017 ICPURQQOMSHQBQ-JSDDMWTDSA-N 396.940 4.836 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1coc(-c2cccs2)n1 7028627 NMENUYMKXMFHGU-UHFFFAOYSA-N 393.468 4.622 0 40 GJAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 7078278 LXDMMNNVFSICQW-HYTQYMIGSA-N 395.480 4.783 0 40 GJAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccncc1 7184850 KFLUYDVIEKLZJX-MRXNPFEDSA-N 388.496 4.546 0 40 GJAB O=C(Nc1nc2ccccc2s1)c1ccc(NC(=O)c2cccs2)cc1 7269375 PTXDIXUIXUCGBX-UHFFFAOYSA-N 379.466 4.862 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1cccc(OCc2ccc(Cl)cc2)c1 7601327 MQULKYKGLJSLFL-UHFFFAOYSA-N 388.924 4.869 0 40 GJAB COc1ccc2c(CC(=O)N(Cc3ccco3)Cc3cccs3)coc2c1 7968017 XHSCNWBANWGAQT-UHFFFAOYSA-N 381.453 4.867 0 40 GJAB Cc1sc2nc(CSc3ccccc3)nc(N3CCC(O)CC3)c2c1C 8064033 GWQGFFXFOXMBQL-UHFFFAOYSA-N 385.558 4.562 0 40 GJAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8156084 BZAOXZDKADLPGD-FZKQIMNGSA-N 398.915 4.659 0 40 GJAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(Br)cc1F 8499821 LABMUQOIASSJNG-UHFFFAOYSA-N 380.257 4.903 0 40 GJAB O=C(Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12)c1ccccc1F 9108114 GCKZFOVSSKOERL-UHFFFAOYSA-N 393.349 4.611 0 40 GJAB CC(C)(C)n1nnnc1S[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 9609751 BSNMILTXKOAZOV-IBGZPJMESA-N 391.500 4.626 0 40 GJAB CSc1cccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 10508178 JIMNNMGTUSNOBQ-UHFFFAOYSA-N 390.512 4.793 0 40 GJAB CCN(CC)c1ccc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)c(C)c1 11693156 BPCRUQODPHDYOR-UHFFFAOYSA-N 381.451 4.817 0 40 GJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 12880186 DJBXNRWJGDXHDA-YXJHDRRASA-N 387.911 4.798 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12894877 BSNOZHKSZOJFLW-MRXNPFEDSA-N 399.450 4.903 0 40 GJAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cccc(Cl)c3Cl)n2)C1 12993730 VWFORIRJHOALQA-NSHDSACASA-N 384.332 4.934 0 40 GJAB CC(C)CC(=O)Nc1nc(-c2ccccc2)c(NC(=O)Cc2ccccc2)s1 13551376 HWQYLFBVEOYCDD-UHFFFAOYSA-N 393.512 4.976 0 40 GJAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2cccc(F)c2)cc1OC 13759019 FKRPXPXSMAVQSM-AGILITTLSA-N 399.506 4.711 0 40 GJAB CCc1ccc(Nc2nc(C)c3nc(C)c(=O)n(-c4ccc(CC)cc4)c3n2)cc1 20059040 BSOSAKLRNARPKA-UHFFFAOYSA-N 399.498 4.661 0 40 GJAB O=C(Nc1ccc(F)cc1)[C@H]1CC(O)=Nc2cc(-c3ccc(Cl)cc3)nn21 20733880 IAMHTNIFRWBWSF-MRXNPFEDSA-N 384.798 4.514 0 40 GJAB Cc1cc(C)n(-c2ccccc2NC(=O)Cc2csc(-c3ccc(C)o3)n2)n1 25014698 DMYNZQIIAJETKU-UHFFFAOYSA-N 392.484 4.695 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)COc3ccccc3Cl)cs2)cc1 27990289 GQLUHKYLALATTP-UHFFFAOYSA-N 386.904 4.510 0 40 GJAB Cc1cccn2c(NC(=O)Cc3noc4ccccc34)c(-c3ccccc3)nc12 28251774 WJRWKHDEBLASRF-UHFFFAOYSA-N 382.423 4.632 0 40 GJAB COc1ccc2nc(C)c(C(=O)N(C)Cc3ccccc3Br)cc2c1 30550625 BLJTUZHUEGVDLO-UHFFFAOYSA-N 399.288 4.587 0 40 GJAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 32610173 NEGVQQGUZMIGKZ-QZTJIDSGSA-N 397.425 4.557 0 40 GJAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)cc1Cl 32776198 CHJIUKPMPDYCIG-NSHDSACASA-N 398.684 4.826 0 40 GJAB CC(=O)c1cc(CCC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)oc1C 32882694 XDIHFWKHLBGCIB-UHFFFAOYSA-N 378.472 4.611 0 40 GJAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)c(OC)c1 36353219 OIQYTALZBPBMSH-MRXNPFEDSA-N 383.835 4.667 0 40 GJAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 38834232 AQUIIUDFYLWCNA-AWEZNQCLSA-N 393.314 4.853 0 40 GJAB O=C(CCc1nc(Cc2ccccc2)no1)Nc1ccc(Cl)c(Cl)c1 40107350 HQEKYDMLXSRSIT-UHFFFAOYSA-N 376.243 4.539 0 40 GJAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 40141087 AUWXDCMKFORHNW-ZIAGYGMSSA-N 382.426 4.666 0 40 GJAB CCOc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)cc1OC 46633017 LOMVCJNSPDUYDF-HSZRJFAPSA-N 391.467 4.622 0 40 GJAB Cc1cc(C(=O)CCC(=O)Nc2cccc(OCc3cccnc3)c2)c(C)s1 54038757 XIIFOIQPSGDVSN-UHFFFAOYSA-N 394.496 4.941 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)Nc1ccccc1OCc1cscn1 58356493 VSIAAAGTRYNBAQ-MRXNPFEDSA-N 381.501 4.865 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 65527531 GZBXONWEDAYYST-CQSZACIVSA-N 397.466 4.668 0 40 GJAB Fc1ccc(CN2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1F 77191122 DYIFSHSWKKZTMD-UHFFFAOYSA-N 395.331 4.633 0 40 GJAB Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1cccnc1C 96011150 LRGHQYGTCKIWHI-UHFFFAOYSA-N 383.236 4.681 0 40 GJAB O=C(C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21)NCC1CC1 96052665 MSSUOKUHMJXOQE-HXUWFJFHSA-N 394.584 4.686 0 40 GJAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCc1c[nH]c2ccccc12 96222901 NVCNPDBJNVVPSH-JOCHJYFZSA-N 387.483 4.784 0 40 GJAB biogenic CCN(C)C(=O)c1cc(-c2csc(-c3csc(C)n3)n2)n2ccccc12 96266768 KMRFIAXVKFCATN-UHFFFAOYSA-N 382.514 4.587 0 40 GJAB COc1cccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2)c1 100372770 GZDUAASQCNIRKM-SYZLQHNFSA-N 398.462 4.661 0 40 GJAB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(O)C[C@@H](c3ccco3)CC1=N2 102662967 MYTXRCKEAJMNIF-WLRWDXFRSA-N 382.370 4.523 0 40 GJAB CC(C)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 195766522 JQKMATRAHPVREU-UHFFFAOYSA-N 378.591 4.674 0 40 GJAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1cc(-c2cccs2)on1 206900012 XGRDNFMPRGJDRK-UHFFFAOYSA-N 386.436 4.970 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)ccc1Cl 216387744 XDNWFGGCIVUZHM-GOSISDBHSA-N 375.852 4.621 0 40 GJAB COc1ccc(-c2ncc(C(=O)N[C@H](C)c3ccc(Cl)cc3)c(C)n2)cc1 223146846 ZZUBDQTWQWUCKA-CYBMUJFWSA-N 381.863 4.605 0 40 GJAB COc1ccc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc2c1 224430363 JTXXQUSKAFYMCT-UHFFFAOYSA-N 382.268 4.956 0 40 GJAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N(CC)Cc1ccccc1 231424216 RGJUKIYLUPVXQZ-UHFFFAOYSA-N 375.534 4.594 0 40 GJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)c1 408649840 AKIWFUDWEGLUNC-NRFANRHFSA-N 385.463 4.929 0 40 GJAB Cc1nc(-c2ccccc2)oc1C(=O)N(C(C)C)[C@@H]1CCCc2cccnc21 585080019 UXBYQZWYGOZMJT-LJQANCHMSA-N 375.472 4.973 0 40 GJAB Cc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 606422473 QULLZRJRJOTBJP-UHFFFAOYSA-N 385.442 4.917 0 40 GJAB O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CCCN1c1nc2ccccc2o1 618255739 XKQXTUHNVRQAFW-AWEZNQCLSA-N 398.875 4.698 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)NC12CC3CC(CC(C3)C1)C2 1775978141 NLAGHYSGWXCFQZ-LZGZYFLISA-N 396.556 4.717 0 40 GJAB Cc1ccc(Cn2c([C@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)cc1 703870 LECSKXCHCMEDJO-FQEVSTJZSA-N 381.479 4.914 0 40 GJAB CCCn1c(O)c(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 1305425 HODNJZZWXHQZFD-UHFFFAOYSA-N 391.254 4.676 0 40 GJAB Cc1ccccc1S(=O)(=O)Cc1c(C(=O)c2ccccc2)oc2ccccc12 1388651 DLFWDWNUCMVJKU-UHFFFAOYSA-N 390.460 4.946 0 40 GJAB Oc1cccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccco3)n2)c1 1406754 VGZZNOOIMOTCSR-UHFFFAOYSA-N 377.347 4.980 0 40 GJAB Cc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4Cl)nc3C2)cc1 2329228 UYOCODLGNGUXRC-HNNXBMFYSA-N 391.858 4.603 0 40 GJAB CCCC(=O)Nc1c(-c2ccccc2)c(=O)c(C)nn1-c1ccc(Cl)cc1 2364370 VMJPKPNJISJRIT-UHFFFAOYSA-N 381.863 4.600 0 40 GJAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NCc3ccc(F)cc3)sc21 2430816 OVSNEFFDQOLBEE-UHFFFAOYSA-N 379.460 4.773 0 40 GJAB CCCCSc1nc(NCCCOC)c2c3c(sc2n1)COC(C)(C)C3 2434950 UGAXKVPAGBBAJB-UHFFFAOYSA-N 395.594 4.883 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3ncc(C)s3)c3ccccc3n2)cc1 2639619 IHWCCCOWAHZHEF-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB Cc1cc(OCc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)o2)ccc1Cl 2762735 NDVLAYBAROYAKJ-UHFFFAOYSA-N 385.803 4.771 0 40 GJAB COc1ccc([C@@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)cc1OC 3120632 KBIQDQBZGQWGFS-ZEQRLZLVSA-N 390.435 4.606 0 40 GJAB O=C(CSC[C@H](O)Cn1c2ccccc2c2ccccc21)Nc1ccccc1 3642104 XVHFXKRHIIPQBF-GOSISDBHSA-N 390.508 4.527 0 40 GJAB CCCn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033336 CNQZJIZKZZZZII-CQSZACIVSA-N 387.405 4.986 0 40 GJAB Cc1ccccc1N1C[C@](O)(c2ccc(Cl)c(Cl)c2)[N+]2=C1CCCCC2 4086886 PDQGYBQQJGKPGQ-NRFANRHFSA-N 390.334 4.952 0 40 GJAB COc1ccc(-n2c(S[C@@H](C)c3ccccc3)nc3c(c2=O)SCC3)cc1 4106534 MADCAMMPHUJFFH-AWEZNQCLSA-N 396.537 4.743 0 40 GJAB O=C(Nc1cccc(Cl)c1)c1c(NC(=O)C(F)(F)F)sc2c1CCC2 4150915 YYFPJPUWXBBZHB-UHFFFAOYSA-N 388.798 4.643 0 40 GJAB Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c(C(=O)c2ccccc2)c1 4194476 LHRQXTNQFTVUEW-UHFFFAOYSA-N 383.403 4.585 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cc1 4223623 IEPQAIHSZZDVQP-UHFFFAOYSA-N 379.485 4.659 0 40 GJAB CCOC(=O)[C@@H](C)Oc1ccc2oc(=O)c(-c3ccc(Cl)cc3)c(C)c2c1 4340668 UJRKILQWACUTQW-CYBMUJFWSA-N 386.831 4.752 0 40 GJAB biogenic COc1ccc(Cl)cc1Nc1ncnc2c1cnn2-c1ccc(C)cc1C 4659346 AQGRQDWDLKVIGP-UHFFFAOYSA-N 379.851 4.838 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4816641 AJRPVOILXHBQOX-MOPGFXCFSA-N 380.879 4.655 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6036222 JWZBXKZZDYMDCJ-IJPFKRJSSA-N 390.564 4.686 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N2CCCC2)c2cc(-c3ccccc3)sc2n1 6114411 ISBBACGQLOCFMI-ZDUSSCGKSA-N 383.542 4.770 0 40 GJAB CCOC(=O)c1sc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc1C 6206662 IOGFKAGKXYRRPW-CYBMUJFWSA-N 387.486 4.638 0 40 GJAB COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OC 6449839 XBPVJADRCLLSGU-UHFFFAOYSA-N 384.657 4.680 0 40 GJAB O=C(NCCCc1nc2ccccc2n1CCc1ccccc1)C1CCCCC1 6752595 WGPGUOOPTZUFQP-UHFFFAOYSA-N 389.543 4.908 0 40 GJAB CCCN(CC1CC1)C(=O)CSc1nnc(Nc2ccc(CC)cc2)s1 6786203 BXTBNKQQNYMGLX-UHFFFAOYSA-N 390.578 4.585 0 40 GJAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C)cc4)cs3)C(=O)[C@@H]21 6788627 WQWMXOPYXJXDLU-DJDHSFSDSA-N 378.497 4.600 0 40 GJAB COc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1Cl 7814554 XHWMLXWOBYTWQP-UHFFFAOYSA-N 396.859 4.668 0 40 GJAB COC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 8116160 XYIPDGQVFGYDDX-CJLVFECKSA-N 387.435 4.661 0 40 GJAB O=C(COCc1nc2ccccc2s1)Nc1ccc(N2CCCCCC2)cc1 8146654 ULBFBAHXBSDTHU-UHFFFAOYSA-N 395.528 4.832 0 40 GJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@@H]3CCCC[C@@H]32)o1 8323986 SRBPYMQORSDGOK-WMZOPIPTSA-N 378.476 4.855 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)c(OC)c1 8324199 CTFCBDMOROPXMV-QFIPXVFZSA-N 392.499 4.872 0 40 GJAB COc1cc(NC(=O)c2cc(SC)ccc2Cl)c(Cl)cc1C(=O)O 9550356 GJHBNHFHHKGHLQ-UHFFFAOYSA-N 386.256 4.674 0 40 GJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2C)cc1 11116842 URUICNKVGZOILK-LEWJYISDSA-N 393.512 4.511 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1 12111486 FOQNKUAFDUKTPH-UHFFFAOYSA-N 393.439 4.619 0 40 GJAB CCCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)C(C)C)CC3)n2)cc1 12741858 WQFIZZUMDDWFIO-UHFFFAOYSA-N 399.560 4.596 0 40 GJAB COc1ccc(NC(=O)c2ccccc2SCc2noc(C)n2)cc1Cl 12856532 JULFUYXVVNMORL-UHFFFAOYSA-N 389.864 4.585 0 40 GJAB CSCc1c(C(=O)Nc2cc3c(cc2Cl)OCCO3)oc2ccccc12 12879015 HKLTZKRTQWIWHN-UHFFFAOYSA-N 389.860 4.973 0 40 GJAB O=S(=O)(N[C@H]1CCSc2ccc(F)cc21)c1c(Cl)cccc1Cl 12921266 XTWMOIJMOYLKOF-ZDUSSCGKSA-N 392.304 4.648 0 40 GJAB COC(=O)c1ccc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2c1 13570389 ZPYQFZBIFKVARZ-UHFFFAOYSA-N 381.240 4.642 0 40 GJAB COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2c(C)cccc2C)cc1 15109050 GFFNSEJGZOTNJQ-QFIPXVFZSA-N 386.451 4.861 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc2ncsc2c1 15640505 SBQUQRMHQKHMDZ-UHFFFAOYSA-N 388.374 4.753 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C(C)(C)C)cc2)c(OC)c1 15829568 PSDBAALUCUVZJG-NRFANRHFSA-N 397.515 4.744 0 40 GJAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)oc2c1 15860476 FCTFAMSUGRFHNI-SFHVURJKSA-N 380.488 4.826 0 40 GJAB COC(=O)c1c(NC(=S)N2c3ccc(F)cc3CC[C@@H]2C)sc(C)c1C 17080202 GBNHXZQXKNIOEO-JTQLQIEISA-N 392.521 4.829 0 40 GJAB Cc1c(Br)ccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)c1C 17081645 PHHYKGVJTYMHET-UHFFFAOYSA-N 399.288 4.780 0 40 GJAB Cc1ccccc1NC(=O)COc1cccc2ccc(N3CCC[C@@H](C)C3)nc12 17135942 ZNIDWRRDEAGAPG-QGZVFWFLSA-N 389.499 4.797 0 40 GJAB COC(=O)c1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 18130478 UOTOAXYSDMGYQP-UHFFFAOYSA-N 383.831 4.659 0 40 GJAB COc1cccc(Cc2ccc(C3CCN(C(=O)[C@H]4CC45CCC5)CC3)nc2)c1 19687379 MPOSIPQTKCVMKI-JOCHJYFZSA-N 390.527 4.577 0 40 GJAB Cc1ccc(-c2nsc(NC(=O)COc3ccc(C(C)(C)C)cc3)n2)s1 21806044 HEAMNUYXNXSVHJ-UHFFFAOYSA-N 387.530 4.890 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1 23011211 WGSZMFNOOXILJA-UHFFFAOYSA-N 375.428 4.657 0 40 GJAB Cc1ncc(NC(=O)c2ccccc2F)n1-c1nc(-c2ccc(F)cc2)cs1 32615950 RPNCUWQBJZSNSZ-UHFFFAOYSA-N 396.422 4.835 0 40 GJAB CCOC(=O)/C=C/c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 32842518 GNOGGUNLOIGSDK-OVCLIPMQSA-N 381.472 4.578 0 40 GJAB Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3cccc(C)c3C)[nH]c2c1 33063728 WWMNGIVZVOSQSF-UHFFFAOYSA-N 380.513 4.634 0 40 GJAB COc1cccc([C@H]2CCCN2C(=O)COc2cc(C)nc3ccc(C)cc23)c1 35316778 IOMHNDKWPGYCMG-JOCHJYFZSA-N 390.483 4.603 0 40 GJAB CSCc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1 40106746 GECSDQQAFBABGH-UHFFFAOYSA-N 390.508 4.732 0 40 GJAB O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(NC(=O)c2ccccc2)c1 53821545 OWZOAFGSQYAMKI-UHFFFAOYSA-N 390.414 4.680 0 40 GJAB O=C(CN(CCc1ccccc1)C1CCCC1)Nc1ccccc1OC(F)F 58297568 CFHGARQNIWIJNQ-UHFFFAOYSA-N 388.458 4.714 0 40 GJAB O=C(O)c1ccc(COc2ccccc2[C@@H]2NN=C(c3ccccc3)S2)cc1 59409016 XJOOZUCHFDQSEF-OAQYLSRUSA-N 390.464 4.661 0 40 GJAB COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N1C[C@H](C)O[C@H](C)C1 70013174 OWQVHNQAXLZHSI-GASCZTMLSA-N 388.439 4.576 0 40 GJAB Cc1cc(-c2cnc(SCC(=O)c3ccccc3)nc2-c2ccco2)on1 72342800 KWWYCLOXPLPVCN-UHFFFAOYSA-N 377.425 4.675 0 40 GJAB O=C(O)c1ccc2oc(-c3ccc(Br)cc3Br)nc2c1 73638272 NDDRQBJLCBEKOQ-UHFFFAOYSA-N 397.022 4.718 0 40 GJAB C[C@H](CCCCCC(=O)Nc1ccc(C(F)(F)F)cc1)NCCc1c[nH]cn1 83263722 DSYNOKVSDSJMLB-OAHLLOKOSA-N 396.457 4.538 0 40 GJAB in-vitro O=C(N[C@H]1C[C@H]1c1ccccc1)c1nc(Cl)c(Cl)c(Cl)c1Cl 84525456 WYUVUHBZPVEMIK-IUCAKERBSA-N 376.070 4.981 0 40 GJAB O=C(Nc1ccc(OCC2CC2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 95959332 QJWTXSQJXIPVSL-FQEVSTJZSA-N 394.471 4.616 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCC(=O)N4C)n2)c(C)c1 95976094 HRYYARUXLKPIDH-UHFFFAOYSA-N 391.496 4.588 0 40 GJAB CC(=O)N[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918323 UORSHAGGYHADPG-AWGTVLFOSA-N 387.564 4.632 0 40 GJAB O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206880705 JXMLAKMDONMYNL-IBGZPJMESA-N 379.891 4.936 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)CC(C)(C)O2 218934232 GIHKDYWJPKHSDY-FQEVSTJZSA-N 397.515 4.790 0 40 GJAB COc1cc(CNC(=O)CCc2cccc3ccccc23)ccc1OC(C)C 222671354 FDMQDNJMDOLAOH-UHFFFAOYSA-N 377.484 4.885 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)cc1 223746213 FYDCRIRDFUHLAY-QZTJIDSGSA-N 381.526 4.637 0 40 GJAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 224374177 JZPBHICKGOSYIG-RTWAWAEBSA-N 376.529 4.721 0 40 GJAB COC(=O)c1cc2cc(NC(=S)N[C@@H](C)c3ccc(F)cc3)ccc2s1 225214196 RBFZPPDLAJXRGQ-NSHDSACASA-N 388.489 4.875 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSC2CCCCC2)c1 225358482 QBMPLIWAGLZWGL-UHFFFAOYSA-N 380.579 4.524 0 40 GJAB Fc1cc(Br)ccc1NC(=S)NC1(c2ccccn2)CCCC1 225861086 SCZYCLYJJYBYII-UHFFFAOYSA-N 394.313 4.739 0 40 GJAB O=C(O)c1cc(Br)c(OCc2ccc(Cl)cc2Cl)cc1O 226346770 YUWRETVIIYTWRG-UHFFFAOYSA-N 392.032 4.739 0 40 GJAB CCOc1ccc(-c2ccc(OC(=O)c3ccc(Br)cc3)nn2)cc1 408530746 RDTWSYYQCCUFFH-UHFFFAOYSA-N 399.244 4.524 0 40 GJAB CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)c(OCC)c1 409062619 XUXYJMRMLPCAKL-UNOMPAQXSA-N 399.468 4.734 0 40 GJAB CSc1c(F)cc(NC(=O)N(Cc2ccccc2)Cc2cc[nH]n2)cc1F 543323842 MZEJIIYAVZSNDC-UHFFFAOYSA-N 388.443 4.644 0 40 GJAB CCCn1c(SCc2cc(Cl)n(C)n2)nnc1-c1ccc(Cl)cc1 1652360490 PJEXSJUIRKIKJL-UHFFFAOYSA-N 382.320 4.688 0 40 GJAB COc1ccc(Cl)cc1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)s1 1775966342 ZAICZSZSQGWKTQ-AWEZNQCLSA-N 393.917 4.602 0 40 GJAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccc(OC(C)C)cc3)coc2c1 630457 KTNSUELVXKUIRL-OAHLLOKOSA-N 396.439 4.578 0 40 GJAB biogenic CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)c3ccccc13)NCC2 718486 IMIMMKUNAQTPIV-DEOSSOPVSA-N 377.484 4.881 0 40 GJAB COc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 874265 BZDDKUKFHRKFSF-LBPRGKRZSA-N 399.541 4.556 0 40 GJAB COc1ccc(Cn2c(-c3ccc(Br)cc3)c[n+]3ccccc23)cc1 1321958 KJSOHLUBWROGQZ-UHFFFAOYSA-N 394.292 4.713 0 40 GJAB COc1ccc(-c2nnc(SC(c3ccccc3)c3ccccc3)n2N)cc1 2182296 XCSSXGCVVUBRML-UHFFFAOYSA-N 388.496 4.549 0 40 GJAB CCN(CC)c1nc2ccccc2nc1Nc1sc(C)c(C)c1C(=O)OC 2206927 UFZYTKQREZAVCE-UHFFFAOYSA-N 384.505 4.685 0 40 GJAB Cc1nnc(NC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)s1 3324116 SYZXMHPZENJRAE-LBPRGKRZSA-N 392.834 4.594 0 40 GJAB O=C(Cc1c(F)cccc1Cl)OCC(=O)c1ccc(Cl)cc1Cl 3344130 QHCAHEMXXQTNEG-UHFFFAOYSA-N 375.610 4.755 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCc4ccccc4C3)cccc2c1=O 3357433 BTOFJDFUALEAFV-UHFFFAOYSA-N 395.458 4.967 0 40 GJAB CCOc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 3360322 AYYOUMTVRYNSFX-UHFFFAOYSA-N 397.475 4.793 0 40 GJAB CN(C)CCCNc1nc(CSc2ccccc2)nc2sc3c(c12)CCC3 3503819 RRNUCPQKERHATI-UHFFFAOYSA-N 398.601 4.836 0 40 GJAB O=S(=O)(Nc1ccc(Br)cn1)c1ccc(C2CCCCC2)cc1 4148165 XPEZSZOSSXAQCP-UHFFFAOYSA-N 395.322 4.693 0 40 GJAB COC(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1 4275332 GPKSHHXSBPNQHX-UHFFFAOYSA-N 381.240 4.642 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cccc(SC)c3)n2)cc1OC 4517488 YNAIJHPTFKWNLK-UHFFFAOYSA-N 386.498 4.802 0 40 GJAB O=C(NC1CCCC1)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 4699034 LKYQRRJUQBJXJZ-UHFFFAOYSA-N 378.516 4.750 0 40 GJAB CC1=C(C(=O)OC(C)C)[C@H](c2cc(F)cc(F)c2)n2c(nc3ccccc32)N1 4742027 YIVDDNBFAOWJSX-IBGZPJMESA-N 383.398 4.555 0 40 GJAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1cc(Cl)cc(Cl)c1 5249027 RJKLPBDHQWLTAC-UHFFFAOYSA-N 387.679 4.649 0 40 GJAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1)c1ccc(F)cc1 5346236 QEZSTFREZGNLFZ-UHFFFAOYSA-N 377.346 4.991 0 40 GJAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 6110466 WQVIKDAPAIXQKC-HNNXBMFYSA-N 380.517 4.820 0 40 GJAB C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 6319902 UOIMWRIKNOAPEZ-XMHGGMMESA-N 396.537 4.723 0 40 GJAB CC[C@H](C)NC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O 6623905 GJDUCWZRVXQANU-AWEZNQCLSA-N 389.451 4.972 0 40 GJAB biogenic CCN(CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 6869547 MQXWCOJGAJTMKR-UHFFFAOYSA-N 385.515 4.841 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(Br)c1 7057117 DIBJKCPXSKBJEU-UHFFFAOYSA-N 394.212 4.577 0 40 GJAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(C)o2)C(=O)O)o1 7342174 DGOMXYTVFURZEJ-ZSOIEALJSA-N 392.820 4.518 0 40 GJAB CC(=O)c1sc(NC(=O)CCCOc2ccccc2)nc1-c1ccccc1 7799939 WFDLGWSPZMCMJT-UHFFFAOYSA-N 380.469 4.810 0 40 GJAB CC(C)COc1cccc(C(=O)N(C)CC(=O)Nc2cccc3ccccc23)c1 8036867 KEONLJPYODTITB-UHFFFAOYSA-N 390.483 4.585 0 40 GJAB CC(C)N(C(=O)CN1CCC(c2nc3ccccc3s2)CC1)c1ccccc1 8202048 IRTRRVHNPOXGPU-UHFFFAOYSA-N 393.556 4.917 0 40 GJAB Cc1c(Cl)c(CSc2nnc(-c3ccncc3)n2C)nc2ccccc12 8541297 UJGZQFSVSLAVHJ-UHFFFAOYSA-N 381.892 4.679 0 40 GJAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc2c(c1)OCCO2 9096214 ZWBAVOVPLZDDDV-UHFFFAOYSA-N 387.892 4.682 0 40 GJAB CCCCNc1nc(Nc2cccc(OC)c2)c2cnn(-c3ccccc3)c2n1 9573606 MJQISCPLVWYKAG-UHFFFAOYSA-N 388.475 4.780 0 40 GJAB Cc1cc(=O)n2c(-c3cccc(NC(=O)Nc4ccc(F)cc4)c3)csc2n1 11769888 XNWGVHNDFRDHBL-UHFFFAOYSA-N 394.431 4.515 0 40 GJAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@H]1Cc2ccccc2S1 11837254 DZUFMMNFZWFICV-LJQANCHMSA-N 392.505 4.890 0 40 GJAB O=C(Nc1cc(-c2ccco2)no1)c1ccccc1OCc1ccc(F)cc1 12915821 RWTUEEZMLXWHFG-UHFFFAOYSA-N 378.359 4.905 0 40 GJAB Cc1ccc(-c2nc(CSc3nc(C)c(C)c(C)c3C(N)=O)cs2)cc1 14250701 FFCVNCNNCCATPY-UHFFFAOYSA-N 383.542 4.830 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 15603659 HZXICJIWAMDRQX-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1-c1ccccc1 15980783 CIIRAIBDFJUEEJ-QGZVFWFLSA-N 379.529 4.909 0 40 GJAB O=C(/C=C/c1ccccc1)N1CCN(C(=O)/C=C/c2ccccc2)c2ccccc21 17013526 WYNLLKOVJYOTFX-YTEMWHBBSA-N 394.474 4.793 0 40 GJAB CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)CC(C)(C)C)n1 19525507 CWRMTBRYOSQGTK-QGZVFWFLSA-N 384.524 4.882 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(-c2ccccc2Cl)o1 19628982 GBMJZHNKXWWDDH-UHFFFAOYSA-N 384.819 4.819 0 40 GJAB Cc1c(C(=O)Nc2ccc(F)cc2)nnc2c(-c3cccc4ccccc34)cnn12 19817179 FXVCZWUDWDLDBP-UHFFFAOYSA-N 397.413 4.644 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1OC 20451193 PPNWKDYRGJKPKR-ZTBKZUISSA-N 387.479 4.931 0 40 GJAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccc(C)nc2)c1 23508803 GBKGGFJPTSVJTC-SFHVURJKSA-N 387.483 4.752 0 40 GJAB CCc1ccc(CN(C)C(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)cc1 23595881 LUNGMUOSOJXVJK-UHFFFAOYSA-N 392.547 4.783 0 40 GJAB Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)Nc1cccc2ncccc12 25400590 QGWDBZVQLKCHII-MRXNPFEDSA-N 388.496 4.848 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1SC[C@@H]1CCCO1 27765403 LQXYLYRPHNWLHX-INIZCTEOSA-N 395.446 4.907 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cc(OC)c(Cl)cc1OC 27975818 HNBVUJVBAVNKMC-SFHVURJKSA-N 389.879 4.642 0 40 GJAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1cc2sc3ccccc3c2s1 31297546 ZCBLKQRHDXAUQM-CQSZACIVSA-N 389.448 4.858 0 40 GJAB COc1ccc2cc([C@@H](C)C(=O)Nc3cccc(NC(C)=O)c3C)ccc2c1 32753718 GGZOJYMJFXBJMU-CQSZACIVSA-N 376.456 4.857 0 40 GJAB CCN(C(=O)c1ccc(-c2ccccc2)cc1)c1nnc(-c2cccnc2)s1 35312744 IRELJKAFOANHKB-UHFFFAOYSA-N 386.480 4.934 0 40 GJAB CCN(Cc1cccc(NC(=O)C[C@H](C)c2ccccc2)c1)C(=O)C(F)(F)F 40090458 COWCHWYHRQDQRM-HNNXBMFYSA-N 392.421 4.730 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)o1 40131327 AAHMSHRWAYVQIL-UHFFFAOYSA-N 395.430 4.811 0 40 GJAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cc1nc(-c2ccccc2)oc1C 40142583 KMIOJLQNCRFRLT-IBGZPJMESA-N 378.472 4.924 0 40 GJAB Cc1cccc(NC(=O)N2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)c1 47208627 XQLPOOAZFMLJLK-QFIPXVFZSA-N 391.515 4.506 0 40 GJAB Cc1ccc2c(c1)c(=O)c(-c1nc(-c3cccc(C(F)(F)F)c3)no1)cn2C 57354778 HLWHXJNYZWGRAQ-UHFFFAOYSA-N 385.345 4.583 0 40 GJAB O=C(OCc1ccc2c(c1)OCCO2)c1ccc(C2SCCCS2)cc1 63239913 JFAGOOGBJRSSCN-UHFFFAOYSA-N 388.510 4.684 0 40 GJAB CC(=O)c1sc(NC(=O)c2ccc(Cl)nc2Cl)nc1-c1ccccc1 64869095 XNKVEUARWMYSEV-UHFFFAOYSA-N 392.267 4.967 0 40 GJAB CCOc1cc(Cl)c(S(=O)(=O)Nc2cnc3ccccc3c2)cc1Cl 72414286 GLSJKPSEMXEJEE-UHFFFAOYSA-N 397.283 4.741 0 40 GJAB O=C(CCc1ccc2ccccc2c1)NC1CCN(CCc2ccccc2)CC1 84528897 CPSBARFZXFCJRQ-UHFFFAOYSA-N 386.539 4.596 0 40 GJAB Cc1c(C(=O)N(C2CCCC2)C2CC2)cnn1-c1cccc(C(F)(F)F)c1 89544927 DUFNHUYEYHGTNN-UHFFFAOYSA-N 377.410 4.747 0 40 GJAB CC(C)(C)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=S)Nc1cccc(Cl)c1 100427029 XJKZNTMPHUFNEG-IAGOWNOFSA-N 393.984 4.585 0 40 GJAB CN1CCC[C@@H](COC(=O)CCc2ccco2)[C@H]1c1ccc(C(F)(F)F)cc1 107137933 XWSHGVUTEFJWQX-OXJNMPFZSA-N 395.421 4.857 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)cc(C)c1Cl 113942868 RHPRCCUXUGMRFW-MRXNPFEDSA-N 375.896 4.828 0 40 GJAB O=S(=O)(/C=C/c1ccccc1)N1CCS[C@@H](c2ccccc2Cl)CC1 207001273 RATMYVBMHVPNPH-FERCGXDMSA-N 393.961 4.821 0 40 GJAB CSc1ccc(/C=C/C(=O)NCC2(Sc3ccccc3)CCOCC2)cc1 211071896 FSAMRRYEWDXYMD-FMIVXFBMSA-N 399.581 4.879 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 216276186 IGWWAARNDVANHI-OAQYLSRUSA-N 393.483 4.673 0 40 GJAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CSC3CCCC3)C2)n1 220788067 TYHDEOSQBYWYRT-QGZVFWFLSA-N 399.560 4.502 0 40 GJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(OC)c(OC)c1 223076552 NOKRHJAFMSLILG-IERDGZPVSA-N 397.515 4.617 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1(c2ccccc2)CCCC1 223243956 YMZFVXISVMTHID-FQEVSTJZSA-N 379.500 4.926 0 40 GJAB Cc1ccc(S[C@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224646740 QLLIBJGFBGCLIC-LJQANCHMSA-N 382.573 4.778 0 40 GJAB CC(C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224939313 QQQQCXBEFPESBD-UHFFFAOYSA-N 385.261 4.909 0 40 GJAB Cc1cc(NC(=O)C2(c3ccccc3F)CCOCC2)ccc1OCC(C)C 225572572 SHHBSHJCIRQFMA-UHFFFAOYSA-N 385.479 4.856 0 40 GJAB COC(C)(C)CCOc1ccc(NC(=O)C(C)(C)Br)cc1Cl 225595917 IGAYGBVZLULYCD-UHFFFAOYSA-N 392.721 4.646 0 40 GJAB COc1ccc(-c2nnc(NC(=O)COc3ccc(C(C)(C)C)cc3)s2)cc1 225663320 LPIKOWJNMYXCFM-UHFFFAOYSA-N 397.500 4.529 0 40 GJAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OC 225673296 WEXVJPNAKLBCIL-INIZCTEOSA-N 386.517 4.601 0 40 GJAB O=C1CC2(CCN(C(=O)Nc3ccccc3)CC2)Oc2ccc3ccccc3c21 225824396 JORZCBZRWAEQLA-UHFFFAOYSA-N 386.451 4.872 0 40 GJAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4F)OCC[C@@]31C2 257241135 HWSBYIKAMOWIGM-VJAQEADRSA-N 377.475 4.619 0 40 GJAB Fc1cccc(N[C@@H]2CCN(Cc3cncs3)C[C@@H]2Cc2ccccc2)c1 585262246 VAYIXWLUVMFPLM-PGRDOPGGSA-N 381.520 4.828 0 40 GJAB COc1ccc(CN(C(=O)C[C@]23CCCC[C@H]2C3(F)F)c2ccncc2)cc1 622811521 ZFUMVDBVSMLSOO-TZIWHRDSSA-N 386.442 4.839 0 40 GJAB CC1=CC[C@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 704422 MCTDXPDDZLFJHR-QUFILJBYSA-N 382.500 4.941 0 40 GJAB endogenous,in-man CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 704424 MCTDXPDDZLFJHR-XLRKYUMYSA-N 382.500 4.941 0 40 GJAB endogenous,in-man O=C(Cc1ccccc1)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 841346 HFIUUIPTKWJHQE-UHFFFAOYSA-N 378.284 4.617 0 40 GJAB CCc1ccc(-c2csc(NC(=O)c3cc4ccccc4oc3=O)n2)cc1 937573 OXLOFMMMSJNCLG-UHFFFAOYSA-N 376.437 4.731 0 40 GJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@](C)(CC)OC3 984867 SDTIHMLZLCKOLP-FQEVSTJZSA-N 386.542 4.801 0 40 GJAB COc1ccccc1C(=O)Nc1ccccc1SC(=O)c1ccccc1OC 1253771 ODPYIOHOZXZFHR-UHFFFAOYSA-N 393.464 4.889 0 40 GJAB CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2376912 GJXFCZMVOJPFSS-CQSZACIVSA-N 388.471 4.667 0 40 GJAB Cc1ccsc1C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 2634909 QCUJXHRBYCTESB-GOSISDBHSA-N 393.508 4.831 0 40 GJAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1c(Cl)cccc1Cl 2652330 RUSNIIMSBINGGO-UHFFFAOYSA-N 390.222 4.648 0 40 GJAB C[C@@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)Nc1ccccc1 3282194 WOFSGIGSJUNKSN-GCJKJVERSA-N 383.495 4.917 0 40 GJAB CCCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)s2)cc1 3352772 GZEQBOJKRXTVRS-UHFFFAOYSA-N 397.290 4.729 0 40 GJAB CCOc1ccc(OCCSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 3354346 XOGUEZGZWOUYPA-UHFFFAOYSA-N 381.457 4.788 0 40 GJAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1c(F)cccc1F 3424125 OBHRTPJAHCPLCA-UHFFFAOYSA-N 395.481 4.672 0 40 GJAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1cccc(Cl)c1 4070355 ZJMCGIUGUKZPON-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB CCCCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1C 4091627 WAJZPSPURZPNMJ-UHFFFAOYSA-N 382.489 4.592 0 40 GJAB Cc1cc2cc(CNC(=O)c3cc(Br)ccc3Cl)ccc2[nH]1 4138058 JRJRHMCPOGWFAP-UHFFFAOYSA-N 377.669 4.822 0 40 GJAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4281955 KHISSCDJJUDGQH-URXFXBBRSA-N 386.451 4.946 0 40 GJAB O=C1CCCCC[C@H]1[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 4769843 KDRIXBWHNIATND-GJZUVCINSA-N 399.490 4.724 0 40 GJAB CCOc1ccccc1NC(=O)Nc1cc(C)cn(Cc2ccc(C)cc2)c1=O 5000885 ZEQWAHIGKIHGCK-UHFFFAOYSA-N 391.471 4.556 0 40 GJAB Cc1cc(Br)ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 6796675 IDNKSJFJYKDVEA-UHFFFAOYSA-N 380.110 4.705 0 40 GJAB CCOc1cc(-c2nnc(S)n2-c2ccccc2C)ccc1OC(F)F 6910655 DETZOCCFHCFIKK-UHFFFAOYSA-N 377.416 4.532 0 40 GJAB COc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(C)c2)c2ccccc2)c1 6942904 RVHUXLQTOIMVDM-NRFANRHFSA-N 375.424 4.540 0 40 GJAB Cc1c(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)oc2c1ccc1ccccc12 7156834 SPZSWFHZLCRGOJ-AUSJPIAWSA-N 393.483 4.992 0 40 GJAB CCOc1cc(CNCc2ccccc2Cl)cc(Br)c1OC 8253629 WVDIHVAVYUCFES-UHFFFAOYSA-N 384.701 4.800 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(N2CCCC2=O)cc1 8312390 VSPQGEFQTBQAFU-UHFFFAOYSA-N 383.498 4.559 0 40 GJAB Cc1c(Cl)cccc1-n1nc(C(=O)NC2CCCCC2)nc1-c1ccccc1 8476661 LHOIIESQXNTNQM-UHFFFAOYSA-N 394.906 4.959 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 8500046 XJKZKQLLATVKNG-FQEVSTJZSA-N 398.478 4.638 0 40 GJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1SC(F)F 8749199 OSBOXUDPSMYNET-UHFFFAOYSA-N 392.456 4.517 0 40 GJAB CC(C)[C@H](C(=O)NCCc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 9112186 VUKMYROBCFRMLX-NRFANRHFSA-N 381.907 4.624 0 40 GJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(F)cc1 9191635 RBYYNDRTLKOMAI-SFHVURJKSA-N 385.442 4.744 0 40 GJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]c2c1 9290307 MLMNASKXEKPKEU-UHFFFAOYSA-N 396.299 4.999 0 40 GJAB COc1cccc(-c2nc(COC(=O)CCc3c[nH]c4ccccc34)cs2)c1 9868563 YPISHMRTWNVBEQ-UHFFFAOYSA-N 392.480 4.976 0 40 GJAB O[C@H](CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 9968080 XAHQSBAPGTTWEJ-HXUWFJFHSA-N 391.471 4.899 0 40 GJAB CC(C)(C)Nc1c(C2CCN(C(=O)c3ccccc3F)CC2)nc2ccccn12 12087437 LIAKDDBBSGPPBD-UHFFFAOYSA-N 394.494 4.704 0 40 GJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12611910 JDONHASJWHGJKT-SFHVURJKSA-N 375.403 4.939 0 40 GJAB CC(C)Oc1ccc(CCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 13669522 GIMMFUGDFBAHMT-UHFFFAOYSA-N 383.513 4.538 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccc(C)o2)c1 14140670 YMGQYHWBKSVYPS-JOCHJYFZSA-N 376.456 4.602 0 40 GJAB COc1ccccc1NC(=O)CCc1csc2nc(-c3ccccc3)cn12 16848764 GAEIWAXAYSCGJE-UHFFFAOYSA-N 377.469 4.643 0 40 GJAB C/C=C/c1ccc(OCC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)c(OC)c1 19310881 FKGJGUZHRZKFDX-BMOUEYTDSA-N 383.488 4.629 0 40 GJAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC(C)=O)cc1 19855109 ORRZTUWZZSPQTC-HXUWFJFHSA-N 397.471 4.619 0 40 GJAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 20140041 ADCULVFEHZXSRH-UHFFFAOYSA-N 392.194 4.910 0 40 GJAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCCSc2ccccc21 21438758 CUXQETFCSAPEHJ-UHFFFAOYSA-N 393.487 4.643 0 40 GJAB CCOc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1OCC 22528718 SUYYOIFMKKUSMS-UHFFFAOYSA-N 377.868 4.717 0 40 GJAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccccc2F)cc1 23186242 OSUIHQQQTPAQCD-UHFFFAOYSA-N 378.447 4.513 0 40 GJAB Cc1ccc(C(=O)Nc2csc3c(NCCc4ccccc4)ncnc23)cc1 28405382 FZFCWWYVCFNVHQ-UHFFFAOYSA-N 388.496 4.907 0 40 GJAB CCc1cc2c(=O)n(Cc3nc(-c4ccccc4)c4ccccc4n3)cnc2s1 31757769 LJNIFOYDIHHYAT-UHFFFAOYSA-N 398.491 4.679 0 40 GJAB O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(C(F)(F)F)cc1 58951890 PWIIBOJJKYVOBW-UHFFFAOYSA-N 386.373 4.609 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCCN(CC2CCCCC2)CC1 69982767 DYJXPFPGEUHWDO-UHFFFAOYSA-N 397.588 4.847 0 40 GJAB CC1CCN(c2ccc(NC(=O)COc3ccccc3F)cc2Cl)CC1 72193636 JGWLSRQSGXBCFF-UHFFFAOYSA-N 376.859 4.733 0 40 GJAB Cn1ccc2c(NC(=O)Cn3ccc4c(Br)cccc43)cccc21 72324659 ISFXYHAJJXVBPO-UHFFFAOYSA-N 382.261 4.534 0 40 GJAB biogenic O=C(Nc1cccnc1)[C@H](Oc1cccc(Br)c1)c1ccccc1 95350831 LVAYDQGQNJFGLM-GOSISDBHSA-N 383.245 4.603 0 40 GJAB O=C(c1ccc(Cl)s1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96096594 QFHFVSQBMSTRMJ-UHFFFAOYSA-N 379.894 4.533 0 40 GJAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 96625875 OGWQTOGWPIQUAG-UHFFFAOYSA-N 397.950 4.791 0 40 GJAB Cc1cccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)c1C 100423318 UCOYJYRURKASEM-SFTDATJTSA-N 379.573 4.785 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 222972739 NHGJUWNNZRBSGZ-OALUTQOASA-N 385.504 4.746 0 40 GJAB COc1cccc(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)c1 224123915 IECUVVPDLVTNLP-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 224595915 YBVUKVFACZTYHM-QHCPKHFHSA-N 394.559 4.507 0 40 GJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 225114425 ZRSGWXUOBAGREG-RTWAWAEBSA-N 394.559 4.568 0 40 GJAB Cc1ccc(SCCNC(=S)Nc2ccc(Br)cc2F)cc1 225286582 JDRCUDXXHWIJOX-UHFFFAOYSA-N 399.354 4.975 0 40 GJAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225591492 NRRIVRXUEFRFCP-GOSISDBHSA-N 389.492 4.639 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCC(C)CC1 225856377 GDDALBHXGPBILC-UHFFFAOYSA-N 391.508 4.574 0 40 GJAB O=C(C(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ccncc2Cl)C1 575610263 GFTHBHMGCCEAJZ-IBGZPJMESA-N 392.886 4.547 0 40 GJAB O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)N1CCC(c2ccon2)CC1 585101469 VGOFJRBDEXHWCD-OAHLLOKOSA-N 387.789 4.521 0 40 GJAB O=C(NC[C@@H]1COc2ccccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 585150000 LHRKZZLGZMELLA-LLVKDONJSA-N 389.295 4.630 0 40 GJAB O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCC(n2c(O)nc3ccccc32)CC1 665614823 RMMOCAGUZHRBKW-IYARVYRRSA-N 381.520 4.512 0 40 GJAB CCOc1ccc(-c2csc(CCNC(=O)c3ccc(Cl)cc3)n2)cc1 1415062 LKSGWFIVNNZFEJ-UHFFFAOYSA-N 386.904 4.835 0 40 GJAB CCOC(=O)c1cc(CC)sc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 2779914 FAZDYHSXANYLNH-UHFFFAOYSA-N 395.908 4.937 0 40 GJAB CN(Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S)C1CCCCC1 3375092 BIENZMFMJWPTHR-INIZCTEOSA-N 392.594 4.544 0 40 GJAB COc1ccccc1NC(=O)COc1ccc2cc(Br)ccc2c1 3477013 OPKLACMCYNNQLF-UHFFFAOYSA-N 386.245 4.628 0 40 GJAB CN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 4085572 GKLKYDSWWHQSJG-UHFFFAOYSA-N 380.495 4.716 0 40 GJAB N=c1oc2c3c4c(cc2cc1C(=O)Nc1cccc(Cl)c1)CCCN4CCC3 4193217 HDCGBEGDNICEIO-UHFFFAOYSA-N 393.874 4.517 0 40 GJAB CN(C)CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2s1 4585284 UJMZKZASJWJPIU-UHFFFAOYSA-N 381.545 4.802 0 40 GJAB Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)/C=C/c2ccccc2)cc1 4732455 GFBXAWPBQUCFJE-BUHFOSPRSA-N 395.466 4.614 0 40 GJAB Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C3CC3)c3ncnn32)cc1 4732719 AHHJBNSSTGPYAZ-WOJBJXKFSA-N 392.890 4.717 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)s2)c1 4878594 YFZRJQUUZHMQNQ-DZKIICNBSA-N 390.578 4.623 0 40 GJAB Cc1cc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)ccc1Cl 4893845 YTYYCWMQUPMSIN-UHFFFAOYSA-N 393.830 4.869 0 40 GJAB CCn1c(C)nc2cc(C(=O)Nc3nnc(-c4ccccc4Cl)s3)ccc21 4935217 XVIRKMLXYXXALH-UHFFFAOYSA-N 397.891 4.789 0 40 GJAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc2c(c1)OCO2 4966782 QYIMXRTUGGDJAN-UHFFFAOYSA-N 376.343 4.615 0 40 GJAB CCN(CC)CCN(C(=O)c1ccc(C)cc1)c1nc2ccc(C)cc2s1 5121760 PKRLDHXTKYVTOY-UHFFFAOYSA-N 381.545 4.902 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(SCc3nc4ccccc4c(=O)[nH]3)o2)cc1 5174928 OGGCQBCQZBPTOP-UHFFFAOYSA-N 392.484 4.563 0 40 GJAB CC(=O)c1cc(Cl)cc(Cl)c1OCC(=O)N[C@@H](C)CCc1ccccc1 5342369 ADCYNBWDCNXCEX-ZDUSSCGKSA-N 394.298 4.712 0 40 GJAB CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 5484988 NXTITHMSUBMOCT-MRXNPFEDSA-N 387.451 4.969 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCC2 5537205 HOBNSFSMZZDICP-OAHLLOKOSA-N 375.424 4.567 0 40 GJAB Cc1ccccc1-c1nc(C(=O)NC[C@@H]2CCCO2)cc2c1[nH]c1ccccc12 6090657 RUSUXRPGRDIYCP-INIZCTEOSA-N 385.467 4.600 0 40 GJAB biogenic COc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1Br 6922587 QLGGEGYAZZRMDV-UHFFFAOYSA-N 392.293 4.907 0 40 GJAB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F 6969822 MOLOWMBMVBIWIO-UHFFFAOYSA-N 390.739 4.888 0 40 GJAB CCN(C[C@H]1COc2ccccc2O1)C(=S)Nc1cc(Cl)cc(Cl)c1 7326053 CDFJYCPDUOGGMW-HNNXBMFYSA-N 397.327 4.852 0 40 GJAB CC[C@@H](C)n1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O 7779607 IYSZLKMSJWYOPO-CQSZACIVSA-N 391.496 4.824 0 40 GJAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(F)cc1F 8000755 KWZYFUZFJXUBNL-IBGZPJMESA-N 390.480 4.674 0 40 GJAB Cc1ccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)cc1 8578447 HQFPUAJGLRNHNO-YQQQUEKLSA-N 385.602 4.929 0 40 GJAB Cc1cc(OCc2ccc(F)cc2Br)c2c(C)cc(=O)oc2c1 11865382 LMRCXCVGHKYCIO-UHFFFAOYSA-N 377.209 4.890 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1C 11913985 RDDWQHVHBGKBIL-INIZCTEOSA-N 395.459 4.547 0 40 GJAB O=C(Nc1ccc(F)c(F)c1F)c1ccccc1OCc1cn2ccccc2n1 12506716 YAKGBVRUMNCZSN-UHFFFAOYSA-N 397.356 4.583 0 40 GJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1csc(-c2cccs2)n1 12533445 LJFRRIXICUZVCP-UHFFFAOYSA-N 383.542 4.744 0 40 GJAB COc1ccc(OCc2cc(C(=O)Nc3ccc4c(c3)CCC4)c(C)o2)cc1 12754585 MBNAHBBJZLNLLU-UHFFFAOYSA-N 377.440 4.917 0 40 GJAB CC1=Nc2ccccc2N=C(NC(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1 14607973 VEGRREKYGZPTRO-QFIPXVFZSA-N 397.434 4.765 0 40 GJAB COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 16042921 XOZQFEQVRDICDF-QZHMZIBCSA-N 393.527 4.782 0 40 GJAB biogenic CCc1ccccc1NC(=O)CN(C)C(=O)c1oc2c(Cl)cccc2c1C 17903476 LVRVONPCTREFLH-UHFFFAOYSA-N 384.863 4.668 0 40 GJAB O=C(C1CC1)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373026 SSAJPARIJSOVFB-OAQYLSRUSA-N 399.498 4.746 0 40 GJAB COc1cccc(CN[C@H](Cc2ccsc2)c2nc(C)c(C)s2)c1OC 19559921 HTAMQUOWMLHBQV-QGZVFWFLSA-N 388.558 4.912 0 40 GJAB O=C(Nc1nccs1)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 24916030 YLOBLTZLOQQPMS-UHFFFAOYSA-N 397.525 4.978 0 40 GJAB FC(F)Oc1ccc2ccccc2c1CNC[C@H](c1ccco1)N1CCCC1 25357641 OZQSCGAJTNNDEL-LJQANCHMSA-N 386.442 4.961 0 40 GJAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1cccc(F)c1F 28305195 JHRVLHAXNDAAEQ-UHFFFAOYSA-N 393.796 4.871 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1C 30852031 ZPPYYPWTMHDMFY-HXUWFJFHSA-N 382.504 4.629 0 40 GJAB CCOC(=O)/C(=C/c1cccc(Br)c1)P(=O)(OCC)OCC 31830052 ZYLSBNIAPUNDLK-KAMYIIQDSA-N 391.198 4.619 0 40 GJAB Brc1ccc(CSCCNc2ncnc3sccc23)s1 32735921 GHQVMUMECAQGDH-UHFFFAOYSA-N 386.365 4.861 0 40 GJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 32753904 FGDQAWMOGYJOFH-JXFKEZNVSA-N 379.456 4.824 0 40 GJAB Cc1ccc2[nH]c3c(SCC(=O)Nc4c(C)cccc4C)ncnc3c2c1 33172524 ANHUZUHXDQCSEO-UHFFFAOYSA-N 376.485 4.767 0 40 GJAB CCOc1cc(C(=O)Nc2ccccc2Br)cc(Cl)c1OC 33855649 XMMONCPWPOXSCF-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB CCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccc(F)cc3)nc21 36617293 AVLKDHFQCXXCBL-UHFFFAOYSA-N 379.407 4.998 0 40 GJAB Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)c(C)s1 40074298 WKCQCBBAQZBVLQ-SCLBCKFNSA-N 392.952 4.650 0 40 GJAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1nc(-c2ccccc2)oc1C 40142584 KMIOJLQNCRFRLT-LJQANCHMSA-N 378.472 4.924 0 40 GJAB CSc1ccccc1CN1CCC(CNC(=O)c2ccc(Cl)cc2)CC1 43991156 YSGYQUMVMNQPLU-UHFFFAOYSA-N 388.964 4.704 0 40 GJAB CC(C)c1cc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)nn1C(C)(C)C 44413667 JFBZCZJRLUBITO-UHFFFAOYSA-N 384.524 4.998 0 40 GJAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 46078479 MASHKRQAGWOTEY-UHFFFAOYSA-N 398.462 4.735 0 40 GJAB CCc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cnn1-c1ccccn1 46083332 AJBZNANZIMGDDT-UHFFFAOYSA-N 394.784 4.754 0 40 GJAB COc1ccc2cc(CN(C)Cc3cc(=O)oc4c(C)c(O)ccc34)ccc2c1 57770013 JPZLRMFWEVESID-UHFFFAOYSA-N 389.451 4.601 0 40 GJAB Cc1nc2ccccc2n1CCNC(=O)C1(c2cccc(F)c2)CCCCC1 72028058 RSECWMBCAFEENC-UHFFFAOYSA-N 379.479 4.502 0 40 GJAB Cc1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cnc1N1CCCC1 72218830 ZPEFMSGNPXTHIM-NRFANRHFSA-N 379.504 4.854 0 40 GJAB Cc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 84022932 NZUHAVWCSDARRI-RYUDHWBXSA-N 389.883 4.600 0 40 GJAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Nc2cccc3ccccc23)cc1 89904827 XEZKLEQJEFTEFZ-UPVQGACJSA-N 390.483 4.752 0 40 GJAB COc1ccc2oc(-c3cccc(NC(=O)COc4ccccc4)c3C)nc2c1 98086934 VIEJESBSNWJNAM-UHFFFAOYSA-N 388.423 4.829 0 40 GJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 102328566 NSQZDTBIEAXWNM-SOUVJXGZSA-N 385.895 4.707 0 40 GJAB C[C@@H](NC(=O)CSCc1ccccc1Br)[C@H]1C[C@@H]2CC[C@@H]1C2 103122308 FUQCFIAXZNMTAB-IXYNUQLISA-N 382.367 4.623 0 40 GJAB Cc1occc1-c1nnc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)o1 104271237 QIHKFWSIHMQQLG-DUVNUKRYSA-N 378.494 4.734 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1C 216404705 ZUZGVLFEOSEUAQ-GOSISDBHSA-N 394.515 4.772 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccccc1Cl)CC(C)(C)O2 219059947 IREUZYKUQLWCIT-GUYCJALGSA-N 389.879 4.535 0 40 GJAB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S 222170670 BKCVHGHFSNVAFN-VJFVSLMESA-N 377.531 4.511 0 40 GJAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(Oc2ccccc2)cc1 222637960 FGFHBRMTGAXFFK-UHFFFAOYSA-N 375.424 4.821 0 40 GJAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 222643765 YBFDBVSBVQHLEY-SFHVURJKSA-N 383.557 4.691 0 40 GJAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccccc1OC 224579926 WCCVASVBWRREDO-UHFFFAOYSA-N 383.488 4.545 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1CN1CCCCC1 224837673 WVGPCQJXKCGUHU-QHCPKHFHSA-N 394.559 4.763 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(Cl)cc1 225111099 SWIYKNBHVAMARJ-OAQYLSRUSA-N 387.907 4.571 0 40 GJAB COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)ccc1Cl 225707124 ZRVKYAWTQNXZQN-CYBMUJFWSA-N 376.909 4.791 0 40 GJAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(C(F)(F)F)cc1 225740382 APGBONQICCKLHQ-CQSZACIVSA-N 393.478 4.833 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c1 225863187 HVTIKYJFFDUIDD-UHFFFAOYSA-N 382.529 4.928 0 40 GJAB COc1ccc(-n2cccc2CNC(=O)c2ccc3sc(Cl)nc3c2)cc1 225985117 HDWHWNBBTZQYEF-UHFFFAOYSA-N 397.887 4.679 0 40 GJAB CN(C(=O)C(F)(F)F)c1cc(Cl)ccc1-c1cc2ccccc2oc1=O 226358226 PMRBQXPYNLHKBO-UHFFFAOYSA-N 381.737 4.639 0 40 GJAB CCOC(=O)c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 226364034 CUTPDRSFRUAFGQ-UHFFFAOYSA-N 399.668 4.867 0 40 GJAB O=C1N/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1c1ccccc1 409020167 MJZPVUXAPVIBRO-XSFVSMFZSA-N 388.398 4.502 0 40 GJAB C[C@@H]1CCc2c(C(=O)N3CCC(Oc4cncc(Cl)c4)CC3)csc2C1 560654861 GUBFRKNSVJNECY-CYBMUJFWSA-N 390.936 4.605 0 40 GJAB Cc1ocnc1C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OCC12CCCC2 585140724 KGHMDUJXGBDMEK-MRXNPFEDSA-N 394.393 4.528 0 40 GJAB CC(C)(C)c1nc(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)cs1 588033337 VNICYTWCIDJBCU-UHFFFAOYSA-N 392.952 4.572 0 40 GJAB O=C(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(-c2cccs2)s1 618256385 RLSHQSHALVEDBM-HNNXBMFYSA-N 391.945 4.912 0 40 GJAB FC(F)(F)c1cc(CNc2ccc(-c3nnc4n3CCCC4)cc2)cs1 623464983 YLAILHIEAUVSBG-UHFFFAOYSA-N 378.423 4.974 0 40 GJAB Cc1noc(C)c1[C@H](C)c1nc(CCCOc2cccc3ccccc23)no1 680741407 WYCQHUTYOYFHBC-AWEZNQCLSA-N 377.444 4.991 0 40 GJAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@@H](c3cccc4cccnc34)C2=C1O 1547206058 SFTPPVFQUFRWHT-HXUWFJFHSA-N 394.434 4.566 0 40 GJAB CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)c1 993102 ZGITYSVLYXBYOA-UHFFFAOYSA-N 394.254 4.628 0 40 GJAB COc1ccc2c(CSc3nnc(Nc4ccccc4)s3)cc(=O)oc2c1 2662675 JQRYUTBCRUVYDS-UHFFFAOYSA-N 397.481 4.689 0 40 GJAB COc1cc2c(cc1NC(=O)COc1ccc(C(C)=O)cc1)oc1ccccc12 3504266 URJLEDXTGJEWHI-UHFFFAOYSA-N 389.407 4.815 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1C 4036378 DYBPBZPWCHULGC-UHFFFAOYSA-N 395.509 4.776 0 40 GJAB COc1c(Cl)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 4680656 BXAICEVSRVKPAS-RIYZIHGNSA-N 397.645 4.753 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cc2ccccc2o1 6356627 DFNLDGANLNFSGY-UHFFFAOYSA-N 392.484 4.750 0 40 GJAB CC(C)(C)OC(=O)N1CCC(C(=O)OCc2c(Cl)cccc2Cl)CC1 6906202 PSTYIIZBYNUBIR-UHFFFAOYSA-N 388.291 4.684 0 40 GJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(C(=O)O)c1 6922124 GQLFFHHKFZMIGC-UHFFFAOYSA-N 388.634 4.671 0 40 GJAB c1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CC3)n2)cc1 7844417 CPBFUSDTQPWPMK-UHFFFAOYSA-N 395.513 4.608 0 40 GJAB O=S(=O)(Nc1ccc(-c2nccs2)cc1)c1ccc(C(F)(F)F)cc1 7982041 MYGRFEUFMXDQOH-UHFFFAOYSA-N 384.404 4.630 0 40 GJAB C[C@H]1C[C@H](Sc2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)C(=O)O1 8192510 XFCVZHYMQQMBCG-LRDDRELGSA-N 399.497 4.870 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2c(s1)CCCCC2 8265570 FCQPTCOIPUQBLQ-UHFFFAOYSA-N 379.529 4.534 0 40 GJAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 8286741 ZPADUNDGJVJHLO-UHFFFAOYSA-N 383.300 4.612 0 40 GJAB Cc1ccc2oc(C(=O)Nc3ccc(N4CCCCCC4)cc3)cc(=O)c2c1 8341917 PLGPSSXFCQTEEU-UHFFFAOYSA-N 376.456 4.734 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 8434216 UQYDQVQKCRGEKL-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB CCOc1cc(C)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C(C)C 9061850 BLXNIAXOBQGJAJ-UHFFFAOYSA-N 386.517 4.721 0 40 GJAB Cc1cccc(C(=O)N(Cc2cc(=O)[nH]c3ccccc23)c2ccccc2C)c1 9281937 VSBZNNMYWKSXQJ-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB CC(C)CCn1nc(C(=O)Nc2ccccc2C(C)C)c2ccccc2c1=O 9365309 QPPYPYBGQNVHKP-UHFFFAOYSA-N 377.488 4.818 0 40 GJAB CCOc1ccccc1NC(=O)c1cc(-c2cccs2)nc2onc(C)c12 11466791 MHYMLDKIUWKKGA-UHFFFAOYSA-N 379.441 4.911 0 40 GJAB Cc1ccc2nc(CSCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cn2c1 12538813 HTRQORRNHQYAPJ-DNBYOKIBSA-N 397.588 4.597 0 40 GJAB O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(CN2CCCC2=O)cc1 12789813 QRUYHBNUUIDQLL-UHFFFAOYSA-N 386.451 4.854 0 40 GJAB COc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)ccc1C 12915874 SOBOPLNPSCOFJR-UHFFFAOYSA-N 378.453 4.803 0 40 GJAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2cccs2)cc(Cl)c1OC 13071479 NJFWYNLRAMELDC-MVGZEHJDSA-N 377.893 4.796 0 40 GJAB COc1cc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(OC)cc1Cl 13708678 FSXQNNWDRJPZRB-CYBMUJFWSA-N 385.847 4.916 0 40 GJAB COc1ccc(C)cc1NC(=O)c1sc2nc(-c3ccccc3)cn2c1C 16740408 YRDBFVOXJJIVOI-UHFFFAOYSA-N 377.469 4.941 0 40 GJAB CC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)c2ccccc2F)cc1 19018114 IFWIVFBRZQZCCS-OAQYLSRUSA-N 394.471 4.634 0 40 GJAB Fc1ccc2nc(CN(CCCn3ccnc3)Cc3ccccc3F)ccc2c1 19348699 MYSMPHUFMDCRIN-UHFFFAOYSA-N 392.453 4.802 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1cccc(Cl)c1 20486425 CFHDVQDTMMZXBG-IBGZPJMESA-N 393.936 4.556 0 40 GJAB O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)c1cccs1 20714623 KFTWDPQGZIHFAB-UHFFFAOYSA-N 388.496 4.760 0 40 GJAB CCCCn1c(SCCO)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 20894507 BHAQOONKJKSFCT-UHFFFAOYSA-N 398.572 4.553 0 40 GJAB biogenic CCn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)c2ccccc21 22234423 ACBJPXZWRBANBI-UHFFFAOYSA-N 398.462 4.853 0 40 GJAB COc1cc(NC(=O)c2cc(Br)ccc2F)c(OC)cc1Cl 23996019 ZGERHXGNKPVSIR-UHFFFAOYSA-N 388.620 4.511 0 40 GJAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 25957419 CFYLESQPMKEPLL-DEOSSOPVSA-N 399.490 4.503 0 40 GJAB COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)c1 27976776 CYPLTKQEVRFOGM-MRXNPFEDSA-N 390.483 4.934 0 40 GJAB Cc1ccccc1Cn1c2ccccc2c2ncn(Cc3ccccc3)c(=O)c21 35400170 AZQXFYNMOISITN-UHFFFAOYSA-N 379.463 4.756 0 40 GJAB Cc1ccc(CN(C)C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)o1 36674680 OGJPADVBJGNFAC-UHFFFAOYSA-N 391.496 4.800 0 40 GJAB Cc1nc(SC(c2ccc(F)cc2)c2ccc(F)cc2)sc1CC(N)=O 40025071 LRLFCVUVACQQPV-UHFFFAOYSA-N 390.480 4.639 0 40 GJAB Cc1ccc(CN(CCCn2ccnc2)Cc2cccn2-c2cccc(F)c2)o1 43277774 RDMWJYMFDPTZEM-UHFFFAOYSA-N 392.478 4.807 0 40 GJAB CCc1ccccc1O[C@H](C)C(=O)NCCSCc1c(F)cccc1Cl 44840348 KYAROXWTEJYTEY-CQSZACIVSA-N 395.927 4.858 0 40 GJAB Cc1cc(Oc2ncccn2)ccc1NC(=O)/C=C/c1ccccc1OC(F)F 48356247 SESVYHDSJHWZHW-JXMROGBWSA-N 397.381 4.831 0 40 GJAB FC(F)(F)c1cnc(SCc2csc(-c3ncccn3)n2)c(Cl)c1 53114907 MHWIRSOHPMJBPR-UHFFFAOYSA-N 388.827 4.960 0 40 GJAB C[C@@H](NC(=O)c1ccc2ncsc2c1)c1cccc(OCc2ccccn2)c1 55645626 POVUJJOJGPVRHS-OAHLLOKOSA-N 389.480 4.761 0 40 GJAB CCCN1CN(c2nc3ccccc3s2)CN(c2nc3ccccc3s2)C1 57396310 UXWSHZDSMWTNLT-UHFFFAOYSA-N 395.557 4.817 0 40 GJAB CC[C@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487288 QAWIERLBFVDTFL-KRWDZBQOSA-N 398.894 4.650 0 40 GJAB Cc1noc(C)c1CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 58159688 GHSARNVAHFYZDR-UHFFFAOYSA-N 379.338 4.768 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc2c(c1)COC2 64384762 DWYLFETYBIRQJA-UHFFFAOYSA-N 376.378 4.588 0 40 GJAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C 65811908 YLUUKYRBIXGEKY-UHFFFAOYSA-N 394.298 4.997 0 40 GJAB Cn1cc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c(-c2cccnc2)n1 65892370 JNOIZKUYCKCBEN-UHFFFAOYSA-N 396.878 4.709 0 40 GJAB O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccco1 67259617 HQZLVDRCXANYOZ-UHFFFAOYSA-N 384.407 4.608 0 40 GJAB Cc1cc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)ccc1F 67298212 GCHFDBOEYMGZRH-NMWGTECJSA-N 395.415 4.527 0 40 GJAB CCOc1cc(C=O)ccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 89263033 ZFOWBVWEJAIJKV-UHFFFAOYSA-N 392.333 4.546 0 40 GJAB Cc1ccc(C(=O)N[C@H](SCc2ccccc2)C(=O)c2ccccc2)cc1 94992804 XHWLEPJOGCPKMU-HSZRJFAPSA-N 375.493 4.867 0 40 GJAB O=C(Nc1c(F)cccc1F)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 96097355 UIBQKICEVGZJCK-HNNXBMFYSA-N 387.213 4.877 0 40 GJAB COc1ccc(Br)c2nc(C(F)(F)F)cc(Br)c12 96171808 CYTFRXRDIUGBBZ-UHFFFAOYSA-N 384.977 4.787 0 40 GJAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CN(Cl)C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100367386 ZXLHRZRTZBQUAS-VJLJQMCCSA-N 379.972 4.725 0 40 GJAB CO[C@]12C=C[C@@H](c3c(Cl)c(Cl)c(Cl)c(Cl)c31)C1(C2)OCCO1 103117102 BYJSNFYGRMNWPX-WJWGPLDTSA-N 382.070 4.942 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCS[C@H](c2ccco2)CC1 207007414 TWBZFELCYKXOEF-KRWDZBQOSA-N 379.909 4.797 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C 222884736 WKBUKALJRKVXCW-RTWAWAEBSA-N 376.529 4.563 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)cc1 223746260 FYDCRIRDFUHLAY-ROUUACIJSA-N 381.526 4.637 0 40 GJAB CCOc1cc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)ccc1OC 224687236 RCTOSTSXOHPAHR-KRWDZBQOSA-N 385.504 4.609 0 40 GJAB O=C(N[C@H](c1cccnc1)C1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1 225618870 NEZYJERPMHGCGS-NRFANRHFSA-N 398.934 4.831 0 40 GJAB CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccc4c(c3)CCCC4)n2)cc1 225635682 WJFQSNGJMBEVMG-UHFFFAOYSA-N 389.499 4.843 0 40 GJAB Cc1ccccc1[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)C(C)C 225762261 CLYPXPURSAHOGK-OAQYLSRUSA-N 381.545 4.806 0 40 GJAB NC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226339842 VPPPGCMWAZSBMD-UHFFFAOYSA-N 393.039 4.573 0 40 GJAB CCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1Cl 408587996 VSELHPZNGZHPFA-UHFFFAOYSA-N 394.707 4.524 0 40 GJAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)cc1 408695061 OLJVMZXHZDCMPV-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CC(C)NC(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408980050 UAYXLSLPHSVUFP-UHFFFAOYSA-N 378.457 4.845 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)C1(c2cccs2)CCCC1 585148025 MKWCPMBUHKRWPN-SFHVURJKSA-N 381.497 4.670 0 40 GJAB Cc1nc(C2CCCCC2)sc1C(=O)N1CCC(Nc2ccccn2)CC1 1644889475 VRLBUMGQSSICDW-UHFFFAOYSA-N 384.549 4.611 0 40 GJAB O=C(Cc1ccccc1Cl)NC[C@H](O)c1ccc(-c2ccsc2)s1 1775965426 OFKYEVNJTVYYTI-HNNXBMFYSA-N 377.918 4.522 0 40 GJAB COc1ccc(-c2nc(-n3c(C)c(C(C)=O)c(C(C)=O)c3C)sc2C)cc1 1106349 GQJDOTJTDYSXJW-UHFFFAOYSA-N 382.485 4.940 0 40 GJAB Cc1cccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(N3CCCCC3)nc12 1825185 IFDSKEJBEWWOKW-PGMHBOJBSA-N 397.478 4.878 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1 2453386 VBTFNBOYJWGSEE-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB CCCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(OC)cc1 2720792 HREKJCQDXFUCRA-UHFFFAOYSA-N 379.485 4.768 0 40 GJAB COP(=O)(OC)c1nc(-c2cccc3ccccc23)oc1NCc1ccco1 2908120 ZNACBWPDOQAKRO-UHFFFAOYSA-N 398.355 4.811 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4C[C@@H]5OC(=O)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@H]32)C1 4023302 OWDSQNAIMXYQHD-JITMKLPWSA-N 386.532 4.669 0 40 GJAB biogenic Cc1ccc(C)c(CSc2ncnc3c2nnn3Cc2ccc(Cl)cc2)c1 4166557 MAGGYADLMBZQGC-UHFFFAOYSA-N 395.919 4.832 0 40 GJAB CCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 4816545 ZRZDPLORGRRJMZ-MOPGFXCFSA-N 380.879 4.717 0 40 GJAB Cc1cc2nc(SCC(=O)Nc3nccs3)c3c(c2cc1C)CCCC3 4968366 OECVPXILGJBUCY-UHFFFAOYSA-N 383.542 4.918 0 40 GJAB COc1ccccc1-c1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 5119681 VYSLTJZQZPQYND-UHFFFAOYSA-N 398.491 4.979 0 40 GJAB CCc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 6084140 TYPVXFVNRQSYDZ-LBPRGKRZSA-N 396.270 4.505 0 40 GJAB CC(C)Oc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 6345932 DSBBXHCJPCYYBH-KGENOOAVSA-N 386.451 4.720 0 40 GJAB CCOCc1c(C(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2)oc2ccccc12 6386619 BSGMPGZWYWGNJK-INIZCTEOSA-N 399.487 4.521 0 40 GJAB Cc1ccc(-c2noc(CSc3nc(C4CC4)n(-c4ccccc4)n3)n2)cc1 8039836 KPHKMTKBSFFMNC-UHFFFAOYSA-N 389.484 4.795 0 40 GJAB CCOc1ccc(CN(C(=O)c2ccccn2)c2ccc(OC)c(Cl)c2)cc1 8429188 RQFVWPZYUUIULC-UHFFFAOYSA-N 396.874 4.989 0 40 GJAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1cccnc1 9749726 VXQBOPITVWCICW-INIZCTEOSA-N 388.496 4.546 0 40 GJAB CC[C@H](NC(=O)c1ccc(Br)o1)c1ccc(Br)cc1 12776808 ITCSWNYKAWPYHU-NSHDSACASA-N 387.071 4.686 0 40 GJAB Cc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)cc1C(F)(F)F 12892866 GBOHIQAPCGUDBH-SFHVURJKSA-N 392.402 4.581 0 40 GJAB COc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(Cl)cc3)cs2)cc1 14181330 FNSVPTKEOVKFTQ-CYBMUJFWSA-N 386.904 4.892 0 40 GJAB CCCCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2F)c2cccnc12 15841106 ORVJRTSJXLJYTD-HNNXBMFYSA-N 382.435 4.959 0 40 GJAB COC(=O)c1ccc(Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)cc1 17113719 MHTARGKFKDVLAG-UHFFFAOYSA-N 375.428 4.650 0 40 GJAB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N=C2O)c1 17196443 AWLARDCPBBJEDU-BOPFTXTBSA-N 393.493 4.877 0 40 GJAB O=C(Cc1ccsc1)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19341703 LNHHIOSLUYXODA-CYBMUJFWSA-N 393.434 4.592 0 40 GJAB CCc1ccccc1Nc1nn(-c2ccc(OC)cc2)c2c1C(=O)C[C@@H](C)C2 20796958 STHVSOPJPQWLFO-HNNXBMFYSA-N 375.472 4.952 0 40 GJAB Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 21423695 JXSCJNLAKPCTSC-XSXQVXRUSA-N 388.529 4.737 0 40 GJAB COc1ccc(-c2csc3c(=O)n(Cc4ccc(Cl)cc4)cnc23)cc1 23126649 NEPVCXNJOFYTFB-UHFFFAOYSA-N 382.872 4.835 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)Cn1ncn(-c2ccccc2)c1=S 24061416 KCDBQVYDDYRPEM-AWEZNQCLSA-N 381.530 4.663 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1cc(F)cc(F)c1 24991728 OPQXCOKNVXSXTK-UHFFFAOYSA-N 382.414 4.592 0 40 GJAB Cc1nn(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)c(C)c1Cl 28247266 XHFRDEKKZGJNBW-UHFFFAOYSA-N 394.656 4.750 0 40 GJAB COc1ccc([C@H](CNC(=O)c2oc3cc(C)ccc3c2C)N2CCCC2)cc1 28287596 PCPDLSUJTDMEAT-NRFANRHFSA-N 392.499 4.625 0 40 GJAB C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 29239169 ZPMKWNLEJJRUQO-NSHDSACASA-N 386.211 4.888 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1C(F)(F)F 32755401 BIZKTODOWQMKTC-CYBMUJFWSA-N 396.434 4.566 0 40 GJAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(F)ccc1Br 32841749 XFSRQGWNKSVKNE-QGZVFWFLSA-N 379.273 4.684 0 40 GJAB Cc1nc(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)n(C2CC2)c1C 32894142 UUSSNGOJBULMLF-HNNXBMFYSA-N 379.529 4.958 0 40 GJAB COc1ccccc1NC(=O)c1sc2nc3cc(C)c(C)cc3cc2c1N 35312975 DMDQSNUTHKTOEZ-UHFFFAOYSA-N 377.469 4.909 0 40 GJAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)c1OC 36364931 FFTBPQXONDJGNK-OAHLLOKOSA-N 383.835 4.667 0 40 GJAB COc1ccc(NC(=S)Nc2cc(C)ccc2C)cc1N1CCCCC1=O 36846364 UCCLJQVUHHFASZ-UHFFFAOYSA-N 383.517 4.638 0 40 GJAB Cc1ccc(NC(=O)[C@H](NCCc2c[nH]c3ccccc23)c2ccccc2)cc1 37197453 UEGBAIVOGHBGLZ-XMMPIXPASA-N 383.495 4.988 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 44911938 OPNMHVBURWWLEK-QGZVFWFLSA-N 394.515 4.656 0 40 GJAB Cc1ncc(CN(C)[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)s1 53153851 SEKCYEUWYKSQDB-HNNXBMFYSA-N 381.501 4.703 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cnccc1Oc1ccccc1 58161618 AOEJOFUXYTUPBL-JOCHJYFZSA-N 399.450 4.777 0 40 GJAB Cc1sc(NC(=O)c2ccnc(F)c2)nc1-c1ccc(OC(F)F)cc1 65513914 MGPJKIBYYSERJB-UHFFFAOYSA-N 379.363 4.506 0 40 GJAB CCCCn1c(=S)[nH]c2c(sc(=S)n2CCc2ccccc2)c1=O 67341312 DJTAPFBOWCHLEG-UHFFFAOYSA-N 377.560 4.694 0 40 GJAB O=C(O)c1ccc2c(c1)CCN2C(=O)OCC1c2ccccc2-c2ccccc21 71084621 WMJWMIQUNMXTGK-UHFFFAOYSA-N 385.419 4.696 0 40 GJAB O=C(c1cscn1)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396394 JUZIYRHMXFAINM-MRXNPFEDSA-N 388.496 4.706 0 40 GJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(C)nn3Cc2ccccc2)cc1O 72403064 JMQAPEOQLHYGAR-FQEVSTJZSA-N 379.485 4.840 0 40 GJAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)C1=Cc2ccccc2OC1 72406291 YIXLLRZTHUUKQW-UHFFFAOYSA-N 383.407 4.770 0 40 GJAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N1CCO[C@@H]2CCC[C@H]21 78698431 PBNNQAGITVTRSG-FGZHOGPDSA-N 392.474 4.687 0 40 GJAB CN(Cc1ccccc1)c1ccccc1NCc1nnc(-c2ccccc2)n1C 89741456 QEMLOSMZUJQKTP-UHFFFAOYSA-N 383.499 4.731 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1cccc(OC(C)C)c1 219329850 NECZVWOAHXXHHM-QHCPKHFHSA-N 383.532 4.997 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219565905 BCHZGTKGVRVOQH-ROUUACIJSA-N 383.488 4.580 0 40 GJAB COc1ccc(CCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1OC 223340776 YLWNHIWAJWSEIP-KRWDZBQOSA-N 399.531 4.954 0 40 GJAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1Cl 224149486 OXCLEQJSGWXXIW-MRXNPFEDSA-N 389.923 4.908 0 40 GJAB COc1ccc(OCc2cc(C(=O)Nc3ccc(F)cc3)ccc2OC)cc1 224264650 CLKMVFRQZGZJPW-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224619897 UIAXFJFSPPJVOA-UHFFFAOYSA-N 388.316 4.834 0 40 GJAB COc1ccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c(OC)c1 225262586 ASLOGQLEUMDAET-UHFFFAOYSA-N 387.439 4.808 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 225518831 LUWMPNOJCKPKGB-REWPJTCUSA-N 394.559 4.568 0 40 GJAB COc1ccc(CCCNC(=S)Nc2ccc(Br)cc2F)cc1 225556986 LXPSRIVWPBIWOZ-UHFFFAOYSA-N 397.313 4.516 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1Cl 225847506 QGDJUFQXGLULQN-UHFFFAOYSA-N 389.879 4.966 0 40 GJAB COCCC1(NC(=S)Nc2ccc(Br)c(Cl)c2)CCCC1 225859933 CQRIZZCQUXTLIU-UHFFFAOYSA-N 391.762 4.738 0 40 GJAB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225963978 DTPKAVZOOAPMAC-UONOGXRCSA-N 389.956 4.556 0 40 GJAB CC(C)CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@H]2C)n1 260743221 ZRMVSZQROGXNQG-MRXNPFEDSA-N 399.564 4.590 0 40 GJAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1C 408620001 GGBIAONJVXKDAV-UHFFFAOYSA-N 399.082 4.781 0 40 GJAB O=C(Nc1ccc(I)cc1F)c1cccc2ccccc12 408620558 HHFSLSCJRISXTM-UHFFFAOYSA-N 391.183 4.836 0 40 GJAB CC(=O)c1cccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)c1 408677764 RHYBHLZCCFZVBU-UHFFFAOYSA-N 396.446 4.939 0 40 GJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 408993469 DEYGOIMKPVRNFE-TZYHBYERSA-N 385.419 4.585 0 40 GJAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1-c1ccc(Cl)cc1 409088334 LDQLGPQUECYSOB-UHFFFAOYSA-N 393.299 4.613 0 40 GJAB Cc1cc2c(cc1-c1ccnc3nc(-c4ccncc4)nn13)[C@H](C)CC(C)(C)N2 575473147 IOGGSGQVTXRIBL-OAHLLOKOSA-N 384.487 4.859 0 40 GJAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)C1CCCCC1)C2 643578079 CIZKYLNKWXHGGR-YADHBBJMSA-N 383.580 4.653 0 40 GJAB COc1cccc(CC(=O)N2CCCCCCCCNCc3ccccc32)c1 643587490 GAKOSXPKBOYMQJ-UHFFFAOYSA-N 380.532 4.715 0 40 GJAB CC(C)([C@@H](NC(=O)c1ccccc1Cl)c1ccc(F)c(F)c1)N1CCCC1 1536855805 SLIMLKWYDOXBOQ-IBGZPJMESA-N 392.877 4.964 0 40 GJAB Cc1cccc(-c2cccc(CNC(=O)N[C@@H]3COc4cc(F)ccc4C3)c2)c1 1563897156 QMGLFQJXQZHGAU-QFIPXVFZSA-N 390.458 4.604 0 40 GJAB Cc1cccc(-c2cccc(CNC(=O)N[C@@H]3COc4c(C)cccc4C3)c2)c1 1563897315 SAASZOXEHPOZFC-QHCPKHFHSA-N 386.495 4.773 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2cc3c(C)c(Br)ccc3[nH]2)cc1 1595104421 ULUXXNLSURJYFY-LBPRGKRZSA-N 387.277 4.738 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)c2c(F)cccc2F)CN1c1cccc(F)c1 1615160033 WWIWMDAYRDXSPC-JOCHJYFZSA-N 388.433 4.768 0 40 GJAB CC(C)(C)c1ccc2[nH]c(C(=O)NCc3ccc4c(c3)OC(F)(F)O4)cc2c1 1638804422 VDHNSGSDJKFXBX-UHFFFAOYSA-N 386.398 4.717 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cc1 633484 FCYBKHBTGJLZCE-UHFFFAOYSA-N 389.274 4.834 0 40 GJAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3o2)cc1 850294 GGDRWMQYQZOCHE-UHFFFAOYSA-N 386.407 4.827 0 40 GJAB COc1ccc(-c2c[n+](Cc3ccc(Br)cc3)c3n2CCCC3)cc1 1287699 MULWKOPIKLGWPW-UHFFFAOYSA-N 398.324 4.598 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1 1329683 GTKKOUZNDPHEQL-GASCZTMLSA-N 380.517 4.507 0 40 GJAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Cl)cc1Cl 1384422 WRCBDYUCNXTNNC-UHFFFAOYSA-N 383.238 4.955 0 40 GJAB CS(=O)(=O)c1c(-c2ccccc2)n(-c2ccccc2)c2nc3ccccc3nc12 1410401 UGCFGBDCAZBUCA-UHFFFAOYSA-N 399.475 4.644 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 1808083 NGBGOESYTSRMOZ-UHFFFAOYSA-N 396.270 4.968 0 40 GJAB O=C(COC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccccc2)cc1 1960692 TYHUMJCTMHOEMB-UHFFFAOYSA-N 381.815 4.928 0 40 GJAB Cc1ccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)cc1 2410817 XFJHGSIAPXBLSX-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB CCOc1ccc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)cc1 2723092 ZQAKZUNZIUUGMB-UHFFFAOYSA-N 381.501 4.619 0 40 GJAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(C(F)(F)F)c1 4523177 FKJVQHHCRRPTJP-UHFFFAOYSA-N 393.858 4.606 0 40 GJAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc(Cl)s3)nnc12 5060131 BLXMCHKTMDDUJD-XLFHBGCDSA-N 379.938 4.736 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)n2)cc1 5180223 MQEFZYIAFANWHL-KBPBESRZSA-N 398.507 4.531 0 40 GJAB O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1c(F)cccc1F 6156332 OPALIKJAOMWKFF-UHFFFAOYSA-N 395.361 4.589 0 40 GJAB COc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)cc1 6849804 PNIUJBSQAJXHPI-KRWDZBQOSA-N 398.509 4.820 0 40 GJAB CCc1ccc(C(=O)CN(C2=NCCCCC2)c2cc(OC)ccc2OC)cc1 6870917 SEWSXVAWYNKLKO-UHFFFAOYSA-N 394.515 4.928 0 40 GJAB Cn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1C(F)(F)F 6939272 ROFKIBZYEHKYKN-HNNXBMFYSA-N 377.391 4.550 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1C 7733942 VFJKLUXJGSKUHA-NSHDSACASA-N 398.684 4.900 0 40 GJAB COc1ccc(Br)c(C(=O)Nc2nc3c(C)cc(C)cc3s2)c1 7771455 QAZOBUCLOFMKDR-UHFFFAOYSA-N 391.290 4.937 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 7929154 WIVVMGTYRSUFNT-SFHVURJKSA-N 379.500 4.950 0 40 GJAB CCOc1cc(CNC)cc(Br)c1OCc1ccccc1Cl 8254095 OWKMGMCWIKFORL-UHFFFAOYSA-N 384.701 4.800 0 40 GJAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccccc1Cl 9320858 ZQWJEPYSFLFERG-UHFFFAOYSA-N 395.889 4.532 0 40 GJAB COc1ccc(Cl)cc1C(=O)N(C(=O)N1CCCCC1)c1ccc(C)cc1 10254521 DLYXJHXNCFHMTI-UHFFFAOYSA-N 386.879 4.910 0 40 GJAB Cc1nc(S[C@H](C(N)=O)c2ccccc2)c2cc(-c3ccccc3)sc2n1 10340541 ZELYNWRVLIWIDS-SFHVURJKSA-N 391.521 4.985 0 40 GJAB C[C@@H]1Sc2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)cc2NC1=O 11452244 MPMJJWMSNUFKST-INIZCTEOSA-N 394.540 4.604 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)N1CCc2[nH]c3ccc(F)cc3c2C1 12323196 MQNPOLWJRHRQIM-UHFFFAOYSA-N 393.245 4.578 0 40 GJAB O=C(c1cc(C(=O)c2cccs2)c2nc3ccccc3n2c1)c1ccccc1O 12648374 BKKLMXBSYVMEAC-UHFFFAOYSA-N 398.443 4.717 0 40 GJAB CCCCn1c(SCc2nc(C(C)C)no2)nc2sc(C)c(C)c2c1=O 12778050 SJKLVUYHYDYLQO-UHFFFAOYSA-N 392.550 4.674 0 40 GJAB Cc1cccc(CNC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1 13021740 ZQHZXDHGLGNJQH-UHFFFAOYSA-N 383.451 4.950 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)cc1 13041257 HBHINKLHMQMSLK-HNNXBMFYSA-N 388.895 4.586 0 40 GJAB O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S1 13549729 YWVWZIDNXBHUAZ-CHHVJCJISA-N 380.252 4.896 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1 14085806 HQPOLKWESVEQCV-LJQANCHMSA-N 382.485 4.909 0 40 GJAB Cc1nc(-c2ccccc2)c(C(=O)NC2CCN(Cc3ccccc3)CC2)s1 15425577 USRBUHAJKDPLOT-UHFFFAOYSA-N 391.540 4.513 0 40 GJAB Cc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccccc3Cl)cs2)cc1 15832563 ADIQKPRYPQXDRX-CQSZACIVSA-N 386.904 4.856 0 40 GJAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1C 20143827 ADYMLIFPHSXVIJ-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB CCc1ccc(Cc2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1 20197195 NOVPSCLPGUNJLN-UHFFFAOYSA-N 378.457 4.565 0 40 GJAB COc1ccccc1OCCCCn1c(CN2CCCCC2)nc2ccccc21 21783155 JNJVNYRJKUYNHG-UHFFFAOYSA-N 393.531 4.890 0 40 GJAB Cc1c(C(=O)N[C@H](C)c2cccs2)cnn1-c1cccc(C(F)(F)F)c1 22990260 NFEKZNYGEBTAAY-LLVKDONJSA-N 379.407 4.752 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2c3c(cccc13)CC2 27248702 WCGQGXBPNKVXTJ-HSZRJFAPSA-N 382.463 4.841 0 40 GJAB O=C(Cc1ccccc1Cl)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967535 KXSABBKLBGIUTK-UHFFFAOYSA-N 379.769 4.726 0 40 GJAB CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 39757620 RIPDBAIIOSLIHL-UHFFFAOYSA-N 386.923 4.978 0 40 GJAB CCOc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)CC(C)C)cc1 41076951 OUSGAMOQTONFOJ-UHFFFAOYSA-N 393.487 4.617 0 40 GJAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(Cl)c1)SCC(O)=N2 44920564 XMJSFWGGGJPTPL-SFHVURJKSA-N 385.876 4.964 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 48323922 CGBLYWBTERMLIC-INIZCTEOSA-N 378.497 4.800 0 40 GJAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72214796 VWKYTUWAKXGQCP-MRXNPFEDSA-N 391.512 4.915 0 40 GJAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 72348990 FTIJQEWRSJUVSM-OAQYLSRUSA-N 386.495 4.706 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1 72427487 CTJLVEOABRZUGY-UHFFFAOYSA-N 378.211 4.669 0 40 GJAB CC[C@]1(C)CCCN(C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)C1 78947302 JAXSPNSSADIXMA-CJFMBICVSA-N 392.543 4.731 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1SCC(O)=Nc2c1cnn2C(C)C 79484528 YIFLLRAADPWHFI-IBGZPJMESA-N 381.505 4.691 0 40 GJAB CC(C)(C)c1ncc([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)s1 84325300 AJTXNOQIPZKBNT-SFHVURJKSA-N 378.501 4.602 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(Cc4csc([C@@H](C)OC)n4)CC3)c2c1 89913569 MCFVFHCHTSSZJQ-CQSZACIVSA-N 383.517 4.630 0 40 GJAB Cc1csc(SCC2CCN(C(=O)CSc3ccc(F)cc3)CC2)n1 90608124 BCRNWZFEGZYGDS-UHFFFAOYSA-N 396.578 4.714 0 40 GJAB CCN(C(=O)Nc1ccc(CCSC)cc1)[C@@H]1CCN(Cc2ccccc2)C1 95942660 RHGKXEFKANMSRC-JOCHJYFZSA-N 397.588 4.720 0 40 GJAB Cc1nc(CCN[C@@H](c2ccc(Br)cc2)c2ccco2)cs1 95996256 UZYSADAMEBSADK-KRWDZBQOSA-N 377.307 4.729 0 40 GJAB COc1ccc(N2C(=O)/C(=C/Nc3ccc(C)cc3C)c3ccccc3C2=O)cc1 100344614 CXGIOKJSWREWJV-PXLXIMEGSA-N 398.462 4.952 0 40 GJAB Cc1ccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2C)C3)cc1 100426282 ORDHVRKHJKKGBF-NHCUHLMSSA-N 391.515 4.651 0 40 GJAB COc1ccc(C)c2s/c(=N\C(=O)c3cc(Cl)sc3Cl)n(C)c12 100823913 BAVQUCXDXRWFNM-SDXDJHTJSA-N 387.313 4.666 0 40 GJAB COc1ccc([C@H]2CC3=Nc4nonc4N[C@H](c4ccccc4)C3=C(O)C2)cc1 102736704 XXKBAGGTVZPQQX-MGPUTAFESA-N 388.427 4.707 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCCC(C)C)cc3)CC2=O)cc1C 103716866 SQMTZOWRGJPVDG-IBGZPJMESA-N 394.515 4.720 0 40 GJAB Cc1ccc2c(c1)cc(C(=O)N[C@H](CCN1CCCCC1)c1ccccc1)n2C 141572676 HUSRLBSXAVSKEM-JOCHJYFZSA-N 389.543 4.834 0 40 GJAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1N 196189726 IJQOKBLOKYMODI-UHFFFAOYSA-N 378.272 4.567 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)COc1ccc(C)cc1 219348726 HVZUMWSJOJVXEQ-WZONZLPQSA-N 377.484 4.889 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccs2)no1 222941145 JONHKLAWVWAQRJ-MRXNPFEDSA-N 399.516 4.569 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 223146149 SGKFLWFGKCSBPW-UHFFFAOYSA-N 393.814 4.785 0 40 GJAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225515592 GFDLSCLKKFLHHA-UHFFFAOYSA-N 398.522 4.997 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)N[C@H](C)CC 225722150 ZRWRALKNXQMUHS-DYVFJYSZSA-N 387.351 4.815 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCCCCC1 225852411 RKMVUJIRUXYXPN-UHFFFAOYSA-N 391.508 4.719 0 40 GJAB COc1ccc(C2(C(=O)Nc3ccc(OC)c4ncccc34)CCCC2)cc1 225864915 PBCBQTJJAGNKQO-UHFFFAOYSA-N 376.456 4.703 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccccc2)cc1C 408698666 RBVPJXSRLVYYKB-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB COc1ccc(Cl)cc1C1=N/C(=C\c2c(Cl)cccc2Cl)C(=O)O1 409003769 KZRMJMLOHWKWJT-ZSOIEALJSA-N 382.630 5.000 0 40 GJAB O=C(CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 409226535 UILMOQFKDZYQIC-YBEGLDIGSA-N 391.370 4.625 0 40 GJAB CN(C)Cc1nc(NCc2ccc(O)cc2)c2c(-c3ccccc3)csc2n1 505632485 FBEDCVSVFGELEL-UHFFFAOYSA-N 390.512 4.738 0 40 GJAB CC(C)n1nccc1[C@@H]1OCCC[C@H]1c1nc(-c2ccsc2Cl)no1 514663990 BOHIFVZNSDNIEN-BXUZGUMPSA-N 378.885 4.864 0 40 GJAB COC(=O)c1nc(NC(=O)[C@H](CC(C)C)n2cccc2)sc1-c1ccccc1 575444465 DFTQCWQGJDDFRK-INIZCTEOSA-N 397.500 4.624 0 40 GJAB O=C(c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1)N(C1CCCC1)C1CC1 642094107 MMRQNWMRGVUHBD-UHFFFAOYSA-N 396.491 4.682 0 40 GJAB CS(=O)(=O)c1ccc(-c2nc(O)c3c(C4CCCCC4)csc3n2)s1 668142419 CSSWILVDUYSXNZ-UHFFFAOYSA-N 394.543 4.577 0 40 GJAB COc1ccc(Nc2nc(C(=O)N3CCc4cc(F)ccc4[C@H]3C)cs2)cc1 673676457 XZAROOFRVXZDCJ-CYBMUJFWSA-N 397.475 4.794 0 40 GJAB O=C(N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 668074 IJQKWMITUBYXLU-OAQYLSRUSA-N 391.442 4.701 0 40 GJAB aggregator CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1 870535 IBZPHQKWHWXETC-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc(F)cc4)c23)C1 912325 CKMATHLZHWQTDV-NSHDSACASA-N 387.505 4.686 0 40 GJAB CCn1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1 925433 TTYQIULOUUSKPE-MRXNPFEDSA-N 380.517 4.701 0 40 GJAB COc1cc(OC)cc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c1 2222581 BSAUUKNRDNBCPM-UHFFFAOYSA-N 388.452 4.714 0 40 GJAB O=C(COc1ncnc2ccccc12)Nc1c(Cl)cc(Cl)cc1Cl 3255701 HXMSQELGLFVHFC-UHFFFAOYSA-N 382.634 4.608 0 40 GJAB CCCCN1C(=O)c2ccc(C(=O)Oc3cccc(Cl)c3Cl)cc2C1=O 3292665 LRCAPRUCOMDVER-UHFFFAOYSA-N 392.238 4.609 0 40 GJAB CC(C)(C)NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 3529209 BKRLLOWJFBKEMO-UHFFFAOYSA-N 381.910 4.612 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCCCC2)c1 3895804 YOEKTOUTDVYOGE-JOCHJYFZSA-N 378.516 4.550 0 40 GJAB COc1ccccc1NC(=S)N1CCC[C@H](c2nc3cc(C)c(C)cc3[nH]2)C1 4858922 IUBMKWMBOCTLMD-INIZCTEOSA-N 394.544 4.765 0 40 GJAB Cc1cc(NC(=O)c2cccs2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 5000928 ZWSIZMFDFSGXND-UHFFFAOYSA-N 392.402 4.538 0 40 GJAB O=C(CSc1ccc(-c2cccnc2)nn1)Nc1cc(Cl)cc(Cl)c1 5442340 NDTVTNTWDALXCY-UHFFFAOYSA-N 391.283 4.576 0 40 GJAB NC(=O)c1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1CCCCC2 5670356 AKOLLNCOVGEHNM-UHFFFAOYSA-N 383.300 4.675 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 5840632 IPJRJBCMFHGHEI-UHFFFAOYSA-N 392.455 4.847 0 40 GJAB CCCc1ccc([C@@H](NCC(=O)Nc2cc(OC)ccc2OC)C(C)C)cc1 7851384 LRFULFJEECXJFC-QHCPKHFHSA-N 384.520 4.582 0 40 GJAB CCOc1cc(CNCCCNC)cc(Cl)c1OCc1ccc(Cl)cc1 8253953 MBJPTNQQQCCESH-UHFFFAOYSA-N 397.346 4.670 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 8428054 UFZHSZOWEIVHGW-UHFFFAOYSA-N 388.496 4.909 0 40 GJAB Cc1cccc(Nc2nnc(SCc3cc(C(=O)O)c(C)o3)s2)c1C 8718231 NBWLAXWOCWWECB-UHFFFAOYSA-N 375.475 4.790 0 40 GJAB CCOc1ccc([C@H]2NC(=O)NC3=C2CCc2ccccc23)cc1Br 9331769 LBCPSFFDGCASFR-GOSISDBHSA-N 399.288 4.559 0 40 GJAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(SCc2cccnc2)cc1 11596250 NLFWWKRKMUMYMO-UHFFFAOYSA-N 390.508 4.880 0 40 GJAB CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1 12062910 OTSCWTFYRXGLNL-OAQYLSRUSA-N 391.467 4.845 0 40 GJAB Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)C2CCCC2)n1 12338016 NRUIBTAXRPHUIH-UHFFFAOYSA-N 386.499 4.566 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)cc1 12628094 IJNAEGNNXGXXPV-UHFFFAOYSA-N 399.450 4.530 0 40 GJAB CCc1cccc(CC)c1NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O 12977895 SXIAUBXFIGZIHO-UHFFFAOYSA-N 393.483 4.806 0 40 GJAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1cccs1 13142851 RPGASFVGBMBKCI-PIPMEXSNSA-N 385.529 4.655 0 40 GJAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21 13695290 PKZZTQPORFFXSP-UHFFFAOYSA-N 390.405 4.893 0 40 GJAB c1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc3c(c2)OCO3)cc1 14253265 YUGSVHVQWZIHPG-UHFFFAOYSA-N 383.451 4.558 0 40 GJAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1 14654425 OWZOYYWSTOSENL-UHFFFAOYSA-N 399.082 4.863 0 40 GJAB Cc1nn(C[C@H](C)C(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)c(C)c1C 19556952 GVTRTZOMEBCWNT-SIOFMKSISA-N 379.548 4.533 0 40 GJAB O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1cccc(F)c1 22191391 SUOPNOWODWFRRU-UHFFFAOYSA-N 391.265 4.888 0 40 GJAB O=C(Nc1ccc(-c2nnc(S)o2)cc1)C(c1ccccc1)c1ccccc1 26803528 XETGRMOGNOAVNV-UHFFFAOYSA-N 387.464 4.796 0 40 GJAB CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)n1 27778890 GCULODNJWJVPCF-ZDUSSCGKSA-N 384.505 4.700 0 40 GJAB Cc1cnc2c(S(=O)(=O)Oc3ccc(-c4nc(C)cs4)cc3)cccc2c1 28046945 OLSBGMYABISEBN-UHFFFAOYSA-N 396.493 4.743 0 40 GJAB Cc1ccccc1SCC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 28605026 IVSCZNBWIPKQJC-INIZCTEOSA-N 398.553 4.909 0 40 GJAB CCOC(=O)c1cc(NC(=O)CCCOc2ccc(Cl)cc2)ccc1Cl 30852005 QXKQCOMCDIBPHH-UHFFFAOYSA-N 396.270 4.968 0 40 GJAB C[C@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccccn1 36802643 DHVNYBWNOUAQBC-INIZCTEOSA-N 388.496 4.513 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(OCc2ccncc2)cc1 40091384 WZFZBRUAAURICT-UHFFFAOYSA-N 398.510 4.753 0 40 GJAB Cc1ccc2c(c1)S[C@H](C(=O)NCc1cccnc1Oc1cccc(F)c1)C2 46748897 DYXZBSBAEMKJIW-FQEVSTJZSA-N 394.471 4.655 0 40 GJAB Cc1cc(SCC(=O)Nc2cccc(Cl)c2C)nc(-c2cccnc2)n1 49007074 HUTOIIOXOLWAQU-UHFFFAOYSA-N 384.892 4.540 0 40 GJAB Cc1cc(SCC(=O)NCCC2=CCCCC2)nc(-c2ccc(F)cc2)n1 67257118 UMBRTLRWCCLHSS-UHFFFAOYSA-N 385.508 4.690 0 40 GJAB O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 70012434 VLLKWGAQMIIDOG-GOSISDBHSA-N 398.466 4.770 0 40 GJAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)=O)cn1 72215012 YVMGQFRBSSNWDY-SFHVURJKSA-N 375.513 4.697 0 40 GJAB Cn1c(C2CC2)nc2cc(NC(=O)c3ccc4[nH]c(C(F)F)nc4c3)ccc21 89745633 DZNNMDBKDDGTHZ-UHFFFAOYSA-N 381.386 4.517 0 40 GJAB CC(C)c1ocnc1C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 95956531 VSSFYTCPOKYRQG-UHFFFAOYSA-N 393.472 4.574 0 40 GJAB CCCCN(C)C(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038151 QGYLKAOXBDXOMK-UHFFFAOYSA-N 390.462 4.803 0 40 GJAB COC1CCN(c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)c[nH]3)cc2)CC1 96382142 KXCYHJGUTGVDAN-UHFFFAOYSA-N 393.462 4.688 0 40 GJAB COc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=O)c1ccccc1Cl 97165209 SKUOXZFNNIORMN-SFHVURJKSA-N 380.831 4.933 0 40 GJAB CC1(C)CC2=Nc3nonc3N[C@@H](c3cccc(Br)c3)C2=C(O)C1 101101908 SEQYSBCLWORXBI-AWEZNQCLSA-N 389.253 4.704 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCCC2 102183243 OJPOMHMZIPDBHR-IIAWOOMASA-N 375.534 4.959 0 40 GJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)C(F)(F)F)CC[C@@]43C)[C@@H]1CCC2=O 118925058 DDDJCSCTQYHRFY-IGVQRDAMSA-N 384.438 4.992 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 225051139 UYEVGQGTPQFZEW-QGZVFWFLSA-N 382.504 4.664 0 40 GJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 225075164 GHMCMSRXKCQBDC-SFTDATJTSA-N 394.559 4.568 0 40 GJAB CCOCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 225532185 KABHUAVIPHHZTO-UHFFFAOYSA-N 383.488 4.561 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc3ccc(OC)cc3nc2C)cc1 408713532 GQAYGMAHYNHIEA-UHFFFAOYSA-N 392.455 4.761 0 40 GJAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC 408812999 CPUGZUXPIOBXEL-WJDWOHSUSA-N 389.860 4.988 0 40 GJAB O=C(N[C@H](Nc1ccccc1F)C(=O)c1ccccc1)c1ccc(Cl)cc1 622961 CCMXJYDQPCBJRQ-FQEVSTJZSA-N 382.822 4.530 0 40 GJAB O=C(/C=C/c1ccco1)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1 722714 IFSBDLDBDOUIOK-ACCUITESSA-N 380.407 4.819 0 40 GJAB O=C(COc1cccc2ccccc12)Nc1ccc(NC(=O)c2ccco2)cc1 803449 SKXIKNXZHGONLG-UHFFFAOYSA-N 386.407 4.703 0 40 GJAB CC(C)OC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 829546 RIRVKLOSUNROEJ-UHFFFAOYSA-N 389.786 4.695 0 40 GJAB CCn1c(CN2c3ccccc3Sc3ccccc32)nnc1SCC(C)=O 1016695 MXFARUWETBHWMQ-UHFFFAOYSA-N 396.541 4.782 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1980655 YHYKLKLHTNLYKX-UHFFFAOYSA-N 383.300 4.612 0 40 GJAB O=C(Nc1ccc(Oc2ccc(F)cc2F)nc1)C(Cl)=C(Cl)Cl 2152014 JFQBAJISQZXWLB-UHFFFAOYSA-N 379.577 4.976 0 40 GJAB COc1ccc(C(=O)COc2ccc3c4c(c(=O)oc3c2C)CCCCC4)cc1 2393900 NJUAHEQKPFNLHM-UHFFFAOYSA-N 392.451 4.641 0 40 GJAB O=C1[C@H](Oc2ccccc2)[C@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 2602722 UCYKFZZLWMXGLP-LEWJYISDSA-N 393.826 4.604 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)NC1(C(F)(F)F)Oc2ccccc2O1 2725257 UVFXYAZYCZGBFQ-UHFFFAOYSA-N 392.255 4.514 0 40 GJAB FC(F)C(F)(F)Oc1cccc(-c2nnc(S)n2Cc2ccccc2)c1 2791370 IGENXLXZZLWJNV-UHFFFAOYSA-N 383.370 4.519 0 40 GJAB O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1ccc(F)c(F)c1 4375321 SXXNBRHMTPRJNW-UHFFFAOYSA-N 378.831 4.714 0 40 GJAB COc1ccc(-c2cn3cc(-c4cccc(Br)c4)nc3n2C)cc1 4678476 NDCCAEKJFJAQAT-UHFFFAOYSA-N 382.261 4.778 0 40 GJAB CC(C)(C)c1ccc(OC(=O)[C@]2(C)CC2(Br)Br)cc1 4740705 HSQRKRYIGUCSBO-AWEZNQCLSA-N 390.115 4.786 0 40 GJAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 5242790 SUPZGXIFPZXXNH-INIZCTEOSA-N 377.513 4.790 0 40 GJAB CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1 5311524 CEMZRYNBWHAVHR-UHFFFAOYSA-N 397.891 4.961 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1OCC 5466582 GQSHPOODEJCHAJ-UHFFFAOYSA-N 378.266 4.807 0 40 GJAB Cc1nc(SCC(=O)Nc2c(F)cccc2F)c2oc3ccccc3c2n1 5498968 FAAJUOAZKWRJHA-UHFFFAOYSA-N 385.395 4.693 0 40 GJAB O=S(=O)(Nc1cccc(Br)c1)c1cccc(Cl)c1Cl 5602647 JFXJXBQZJAUCCV-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c(C)c1 6629946 VXQQBKUAEMLHHF-UHFFFAOYSA-N 399.560 4.755 0 40 GJAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 7071581 VXVGHYOBRJSQKW-RVZJCZPVSA-N 392.480 4.972 0 40 GJAB CCCOc1c(Cl)cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 7364363 ZQEAXDZHXLCYBX-HXUWFJFHSA-N 386.879 4.866 0 40 GJAB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)O)o1 7365679 JNHYIMSJWNFFFO-SXGWCWSVSA-N 389.864 4.657 0 40 GJAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1 7719015 GQIHRXYOHWJUME-CYBMUJFWSA-N 386.498 4.789 0 40 GJAB C[C@H](NC(=O)C[C@](C)(C(=O)O)c1ccccc1)c1ccc(Cl)c(Cl)c1 8392445 GSPMYUAIXNAZLL-BUXKBTBVSA-N 380.271 4.603 0 40 GJAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(Cc1cccnc1)C3=O 8664904 KIKUYHKLZUIQGB-OAQYLSRUSA-N 396.446 4.550 0 40 GJAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc2c(c1)OC1(CCCC1)O2 8756729 OZROYKQPOSUSOL-UHFFFAOYSA-N 391.467 4.818 0 40 GJAB Cc1cccc(NC(=O)Nc2nc(C(=O)NCCC3=CCCCC3)cs2)c1 9318453 QLUKSACQDGITPB-UHFFFAOYSA-N 384.505 4.716 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 9476830 KQMPYNFUFFHAIH-LLVKDONJSA-N 381.259 4.697 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 12435972 RJGRPFUEEAMZAF-OAHLLOKOSA-N 380.488 4.739 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Cl)c2ncccc12 12753035 YROXSKBDESQDTK-HXUWFJFHSA-N 391.858 4.791 0 40 GJAB c1ccc2sc(N3CCN(Cc4csc(-c5ccsc5)n4)CC3)nc2c1 12798207 ORYPVZWSCRXYHU-UHFFFAOYSA-N 398.582 4.804 0 40 GJAB COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 12856392 MMCKUTUNSYYBHX-NCUBBLFSSA-N 378.497 4.990 0 40 GJAB CC(C)[C@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 12919881 LVRMASJVGDJBHE-VGSWGCGISA-N 382.504 4.948 0 40 GJAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 15917114 KQKUGSMICMZBMO-UHFFFAOYSA-N 399.450 4.514 0 40 GJAB CCn1c(SCc2cccc(C)c2)nnc1-c1cc(OC)c(OC)c(OC)c1 17081737 XDEUPZNOLRUWIN-UHFFFAOYSA-N 399.516 4.592 0 40 GJAB CCCSc1nnc(-c2c[nH]c3ccccc23)n1-c1cc(OC)ccc1OC 17287210 ICYUIHYHULEOCL-UHFFFAOYSA-N 394.500 4.935 0 40 GJAB Cc1cc(C(F)(F)F)c2c([C@H]3CCCN(Cc4cccs4)C3)noc2n1 19568929 VZPIWNOSGGDOGE-LBPRGKRZSA-N 381.423 4.991 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20144132 HFZKUMCEWJYHQK-UHFFFAOYSA-N 379.456 4.888 0 40 GJAB O=C(Nc1nnc(Cc2ccccc2)s1)c1csc(-c2ccsc2)n1 21588246 WOOHLSDXRYKEJT-UHFFFAOYSA-N 384.511 4.566 0 40 GJAB CCOc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4)nc32)cc1 21801387 RZQRMFGHIZEPAD-UHFFFAOYSA-N 383.455 4.751 0 40 GJAB Cc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 23157739 MUZJPFBLOFZGSM-HSMVNMDESA-N 390.940 4.526 0 40 GJAB COCCN1C(=O)c2ccccc2N[C@H]1c1csc(-c2ccc(Cl)cc2)n1 25310676 PYNFNZADVIAWQI-GOSISDBHSA-N 399.903 4.676 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 26124109 NQPBFBYGMAJQTQ-UHFFFAOYSA-N 390.418 4.601 0 40 GJAB O=S(=O)(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1cccs1 26546218 OLDZZTHYORCZAG-UHFFFAOYSA-N 397.880 4.920 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccco2)on1 26931585 KFUAGRUMPMFIOP-UHFFFAOYSA-N 380.322 4.995 0 40 GJAB Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2)cc1 28534623 XFKQIAYGBFNWEM-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB COc1ccc(CNc2ncnc3scc(-c4ccc(C)cc4)c23)cc1O 32932656 IAXNPULQYCBPBN-UHFFFAOYSA-N 377.469 4.993 0 40 GJAB CC(C)c1nc2cc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)ccc2o1 33217504 NVQGHUHJYOBKDI-CQSZACIVSA-N 397.500 4.504 0 40 GJAB CCOc1ccc([C@@H](NC(=O)/C=C\c2ccco2)c2ccc(OC)cc2)cc1 33784086 LXGXNDDXJHNRIE-SYKNXGGPSA-N 377.440 4.606 0 40 GJAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)c1 36354666 RWOSDYQMSJSAOI-AWEZNQCLSA-N 383.835 4.667 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)c(Cl)c1 38772245 MFVUZIPIHFIEFL-UHFFFAOYSA-N 384.284 4.901 0 40 GJAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)Nc1ccccc1F 40128275 KWGBOIIMGIAZPB-UHFFFAOYSA-N 391.368 4.828 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)C(=O)Nc2ccccc2OC)cc1 40162309 QJNWCYRUTCWQLP-UHFFFAOYSA-N 375.472 4.887 0 40 GJAB CCn1ncc2c(C(=O)N(C3CC3)[C@@H](C)C3CC3)cc(-c3cccs3)nc21 46056224 JPYAPMBCKVAYJB-ZDUSSCGKSA-N 380.517 4.583 0 40 GJAB O=c1c(CN(Cc2ccccc2)C[C@H]2CCCO2)coc2ccc(Cl)cc12 57810970 WTNXYIIUCVCFFU-LJQANCHMSA-N 383.875 4.628 0 40 GJAB CCCCCN(C(=O)Cn1c(S)nnc1-c1cccs1)[C@@H](C)CCC 58107894 RMLFXSXWXQPNJF-AWEZNQCLSA-N 380.583 4.503 0 40 GJAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCCCCC3)[C@H]2c2cccs2)cc1 58402599 QMOYPUUJNDIFIK-KNQAVFIVSA-N 396.556 4.943 0 40 GJAB CCOc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OCC 59186089 MNANQPYVRHGWSD-DHDCSXOGSA-N 377.362 4.996 0 40 GJAB Cc1ccc(-n2nc(-c3nc(-c4ccccc4C)no3)c3ccccc3c2=O)cc1 64949583 RAQOTJJLDWUEMA-UHFFFAOYSA-N 394.434 4.720 0 40 GJAB CCc1ccccc1NC(=O)CSc1cc(C)nc(-c2cccc(F)c2)n1 67257310 NHTRAUBMNLSWFD-UHFFFAOYSA-N 381.476 4.884 0 40 GJAB CCN(Cc1cccs1)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 69767309 XYCZCTRQAGMCIO-UHFFFAOYSA-N 377.872 4.697 0 40 GJAB Cc1nc(N2CCCC[C@@H]2c2nc[nH]n2)c2cc(-c3ccccc3)sc2n1 95467656 CKBUVAUKAVSGON-MRXNPFEDSA-N 376.489 4.516 0 40 GJAB Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)c(F)c1 95963913 KYWCTAVVYURKDW-UHFFFAOYSA-N 392.459 4.910 0 40 GJAB Cc1nnc(-c2cccc(NC(=O)[C@H](C)Oc3cc(C(C)C)ccc3C)c2)o1 97002831 UWBMTTVGDBWQQR-HNNXBMFYSA-N 379.460 4.883 0 40 GJAB Cc1ccc(-c2c(Cc3ccccc3)c(=O)[nH]c3cc4c(cc23)OCCO4)cc1 98086850 DSYPPGYYKMPZDO-UHFFFAOYSA-N 383.447 4.866 0 40 GJAB CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)n2)cc1 100630479 SYMHCTPDXDKNHO-DKKFBQAASA-N 398.528 4.694 0 40 GJAB C[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)[C@H]1C[C@H]2CC[C@H]1C2 102148803 MMGFWAGIZWNIBO-OWTLIXCDSA-N 380.966 4.983 0 40 GJAB CCCOC(C(=O)O[C@H]1CC[C@@H]2CC[C@@H]1N2C)(c1ccccc1)c1ccccc1 104307120 HKGIWDBWRYKYTC-VABKMULXSA-N 393.527 4.525 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)COc1ccc(C)cc1 219338055 BAOWEJKOKDKBGI-PGRDOPGGSA-N 377.484 4.889 0 40 GJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(Br)cc3)N21 222644158 SRPAFVNITVZRIF-USXIJHARSA-N 388.334 4.824 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 222935979 ZDMVXQSABVPPFF-RTWAWAEBSA-N 377.513 4.970 0 40 GJAB CC(C)(Cc1ccccc1)NC(=O)COc1ccc(Br)cc1Cl 223191925 DDQBITLYDRHJNI-UHFFFAOYSA-N 396.712 4.619 0 40 GJAB CCOC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1C 224899475 JBDZHOHZRQXOOR-UHFFFAOYSA-N 395.883 4.836 0 40 GJAB COc1ccc(CC(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1C 225318677 SDXTVDHJDSZMBX-HXUWFJFHSA-N 379.500 4.889 0 40 GJAB O=C(Cc1cccc(Br)c1)NCCSCc1ccc(Cl)cc1 225612837 UEPMWNVQSBHVLY-UHFFFAOYSA-N 398.753 4.695 0 40 GJAB O=C(Nc1ccccc1-c1ccccc1)c1cccnc1O[C@@H]1CCSC1 225726649 BJFSKLQFNRYCAU-QGZVFWFLSA-N 376.481 4.885 0 40 GJAB CCSc1ccccc1C(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225731712 UZAYZJQOZLHMAJ-CQSZACIVSA-N 396.434 4.506 0 40 GJAB O=C1CC2(CCN(Cc3ccccc3F)CC2)Oc2c1cccc2C(F)(F)F 225827210 CMDYMTYAVBCZOC-UHFFFAOYSA-N 393.380 4.845 0 40 GJAB CC(C)(C)OC(=O)N1CCC(Cc2cccc(-n3cnc4ccccc43)n2)CC1 257314978 UZJVUZDXSUFMER-UHFFFAOYSA-N 392.503 4.610 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cccc(OC(=S)N3CCC(C)CC3)c2)cc1 408720890 AHNBQPQWURYKOC-UHFFFAOYSA-N 396.512 4.537 0 40 GJAB Oc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1Br 408987265 FLCPQSHDRWWFSF-UHFFFAOYSA-N 391.290 4.801 0 40 GJAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)cc1OC 409053900 RTPMJSKHXTXEKX-NDENLUEZSA-N 397.496 4.947 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1O[C@H](C)CC 409086162 GAWINOXCYLNDIQ-HGLKBHAMSA-N 383.897 4.972 0 40 GJAB C[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)[C@H]1COc2ccccc21 535103362 CJVUOTRLUNZEKQ-BFUOFWGJSA-N 376.431 4.546 0 40 GJAB CCCc1ccc([C@@H](NC(=O)[C@H](O)c2cccc(OC)c2)c2cccs2)cc1 1540009454 GCNFWJHYJYALHZ-FGZHOGPDSA-N 395.524 4.648 0 40 GJAB COc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3ccco3)n2)cc1 929163 FGOZWXWCBSTZMI-UHFFFAOYSA-N 380.425 4.852 0 40 GJAB CCCC(=O)Nc1cc(OC)c(NC(=S)Nc2cccc(C)c2)cc1OC 1324313 CGSZSXTZYVBJIT-UHFFFAOYSA-N 387.505 4.560 0 40 GJAB CCOc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2cccs2)cc1 1369128 SBOOOUKSUDFDPX-OALUTQOASA-N 399.560 4.854 0 40 GJAB CN(C1c2ccccc2Oc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 1661548 XITCXCKGLVYAPG-UHFFFAOYSA-N 385.872 4.856 0 40 GJAB CC[C@@H](C)[C@@H](C(=O)Nc1c(C)cc(C)cc1Cl)N1C(=O)c2ccccc2C1=O 1910527 CNNMRPJXAJIPCW-YJYMSZOUSA-N 398.890 4.606 0 40 GJAB CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C)cc1)CC2=O)c1ccccc1 2408091 MCEFSJVOEVDHJN-WOJBJXKFSA-N 399.494 4.830 0 40 GJAB CC(C)Sc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 2460996 JSOBOFNTKVIJAB-UHFFFAOYSA-N 377.462 4.814 0 40 GJAB Cc1ccsc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 2622740 VBEOEWJXVHTQPH-UHFFFAOYSA-N 378.664 4.812 0 40 GJAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1cccc2ccccc12 3270405 UQCSUBAMIPXZNJ-UHFFFAOYSA-N 391.442 4.973 0 40 GJAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1C 3418839 GMNCNYXRFZSPHJ-QGZVFWFLSA-N 390.270 4.602 0 40 GJAB O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)Nc1ccc(Br)cc1 3648651 NERBKTGRENIWSA-UHFFFAOYSA-N 397.272 4.635 0 40 GJAB COc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2ccc(Cl)cc2)cc1 4088135 SGGDCSCFBBRUOI-HXUWFJFHSA-N 397.931 4.952 0 40 GJAB O=C1c2ccccc2CC[C@H]1Sc1nnc(-c2ccco2)c(-c2ccco2)n1 4167820 WKKOPXYCGNHURM-QGZVFWFLSA-N 389.436 4.681 0 40 GJAB Cc1ccc(NCC(=O)c2ccc(Br)cc2)c(Br)c1 4455791 QZYUYTHCAACGNV-UHFFFAOYSA-N 383.083 4.815 0 40 GJAB CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 4491419 MCTDXPDDZLFJHR-HBDUWURDSA-N 382.500 4.941 0 40 GJAB endogenous,in-man C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 4871116 OKBZCQOAZNRUQV-GXFFZTMASA-N 383.872 4.546 0 40 GJAB COc1ccc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)c(OC)c1 4936649 CWMXOLCDYJWLJZ-UHFFFAOYSA-N 397.500 4.501 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cccc(C)c1 4996696 HKJNQIYHNZSNLH-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB Cc1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)no1 5260318 OSNXTACRHFVARD-UHFFFAOYSA-N 377.473 4.535 0 40 GJAB Cc1cc(C)cc(-c2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)o2)c1 5564918 OZGHIZPOHXDOAE-LJQANCHMSA-N 393.512 4.809 0 40 GJAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccccc1C(F)(F)F 5714918 RJFYFVURBHPYQG-UHFFFAOYSA-N 387.357 4.583 0 40 GJAB COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2OC)c(C)c1 5724932 QJBRSLRLAXIRMO-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB CCc1cc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)sc1C 5789018 UCZUTCCXLPQYHF-UHFFFAOYSA-N 385.457 4.729 0 40 GJAB CCCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 5868211 RZSDWACXFVOXKF-UHFFFAOYSA-N 387.439 4.642 0 40 GJAB biogenic CCN1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 6205584 JWQAFBUMRKDMIT-UHFFFAOYSA-N 393.918 4.887 0 40 GJAB O=C(Cc1csc(-c2cccnc2)n1)Nc1ccccc1Cc1ccccc1 6553127 HDQBUAHZYNSKIZ-UHFFFAOYSA-N 385.492 4.977 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(S)n2-c2ccc(Cl)c(C(=O)O)c2)cc1 6659246 DDBVXYKULYCILV-UHFFFAOYSA-N 387.892 4.872 0 40 GJAB COc1ccccc1N/C=C1/C(=O)N(c2ccc(C)cc2C)C(=O)c2ccccc21 6706724 QJVRNHQMZMWDBM-HMMYKYKNSA-N 398.462 4.952 0 40 GJAB CCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)O)o1 7365620 RKKWDJNUYVLQPU-BOPFTXTBSA-N 383.473 4.566 0 40 GJAB O=C(O)/C(=C/c1cc(Br)ccc1O)Sc1nc2ccccc2o1 7602890 QNQWREBYNKHRHY-ZSOIEALJSA-N 392.230 4.514 0 40 GJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)c(Cl)c1 7917110 ZIZJVTYYTIGXMS-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 8325495 XMMAHFFBFJKSKB-UHFFFAOYSA-N 385.773 4.509 0 40 GJAB C[C@H]1CC(=O)c2c(OCC(=O)N[C@@H](C)c3ccc4ccccc4c3)ccc(F)c21 8327364 MCDUQAXWUQULPV-GJZGRUSLSA-N 391.442 4.925 0 40 GJAB COc1ccc(N(Cc2cccs2)C(=O)CSc2nc(C)cs2)cc1 8772347 XGJDATZZBBCZJK-UHFFFAOYSA-N 390.555 4.847 0 40 GJAB COc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)c(C)c2)cc1 9204920 WLLAJFKRWHUHEM-UHFFFAOYSA-N 399.874 4.858 0 40 GJAB C[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(C(C)(C)C)cc1 10111938 URRPAMYLNOVMDB-MRXNPFEDSA-N 386.495 4.975 0 40 GJAB O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1cc(F)ccc1F 11373366 ZCSZJECQJGTDIQ-UHFFFAOYSA-N 397.303 4.605 0 40 GJAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4c(F)cccc4F)C3)cc2c1C 12187867 XMZRBHNQMKOUFC-INIZCTEOSA-N 396.437 4.850 0 40 GJAB CCOc1ncc(Cl)cc1C(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188229 VZNRWZIJBDKBEP-KRWDZBQOSA-N 395.890 4.702 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCCCC2)cc1 12437896 WDVLXYNFDMSMRT-UHFFFAOYSA-N 380.513 4.675 0 40 GJAB O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccc(Br)o1 12535097 AHSQOMSVUUOZRE-UHFFFAOYSA-N 388.246 4.671 0 40 GJAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1OC 12558756 RYZNZEKFIFHLAV-MBSDFSHPSA-N 390.439 4.848 0 40 GJAB Cc1ccc(C)c(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)c1 12628693 NPGIAZNXUUXGPY-JOCHJYFZSA-N 383.495 4.904 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(-c2csc(C)n2)cc1 12631768 LKAOACIBDJXTKY-CQSZACIVSA-N 381.501 4.956 0 40 GJAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1 12773263 FPNDPYREAKSTIV-SQRWCISFSA-N 391.920 4.968 0 40 GJAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OC[C@H]3CC3(Cl)Cl)c2C)cc1 12910491 ANGBYDJMCCSQNY-KBOKABMXSA-N 393.314 4.607 0 40 GJAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccccc3F)s2)cc1 12924299 UOGONHIUHFAXKV-GDNBJRDFSA-N 387.867 4.653 0 40 GJAB C[C@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1ccccc1Br 14425720 NYLFZJVTNDGNQA-FNDVETGQSA-N 381.273 4.888 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1-c1ccccc1 15998554 ZIQOWJOSCISXST-UHFFFAOYSA-N 387.407 4.602 0 40 GJAB CCSc1ccccc1NS(=O)(=O)Cc1ccc(Br)cc1 20048082 HPTOBQOYHIBYFJ-UHFFFAOYSA-N 386.336 4.503 0 40 GJAB CCC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCc2ccccc2C1 20121043 DTIUACGNDIJLIZ-FQEVSTJZSA-N 395.938 4.619 0 40 GJAB CN1CCC[C@@H]([N+]2=N[C@@H](Cc3ccc(Cl)cc3)c3ccccc3C2=O)CC1 21984899 NOQDKYGQBYLUST-NQIIRXRSSA-N 382.915 4.727 0 40 GJAB CCOc1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)ccc1OCc1cccs1 22076357 MTZMEPSUWXUKKI-GAJHUEQPSA-N 397.540 4.938 0 40 GJAB COc1ccc(OC)c(NC(=O)c2oc3cc(Br)ccc3c2C)c1 27663341 GGRJABVNVQEACW-UHFFFAOYSA-N 390.233 4.773 0 40 GJAB COc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1Cl 33326266 LEEYBALFRKBDME-UHFFFAOYSA-N 388.876 4.565 0 40 GJAB O=C(CSc1ncnc2c(-c3ccccc3)nsc12)Nc1ccccc1F 35289483 ORDDPDWWWAYYIG-UHFFFAOYSA-N 396.472 4.623 0 40 GJAB O=C(c1cc(-c2ccc(F)cc2)nc2onc(-c3ccccc3)c12)N1CCCC1 36618521 VQJUFOXKVNLUDM-UHFFFAOYSA-N 387.414 4.932 0 40 GJAB CC(=O)Nc1ccc(-c2ccsc2)cc1NC(=O)NCCc1ccccc1 38678900 DAVOYKCAQICRRY-UHFFFAOYSA-N 379.485 4.738 0 40 GJAB C[C@@H](OC(=O)COc1ccccc1Cl)c1nc2ccccc2n1C(F)F 40033534 NYWQHWVZCVXCGL-LLVKDONJSA-N 380.778 4.768 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)CSCc2ccccn2)cc1 40152600 RCOHSRHBOZWDPT-UHFFFAOYSA-N 380.469 4.754 0 40 GJAB CN(CCCS(=O)(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 40152878 RWIHBRWPJLWIDP-UHFFFAOYSA-N 379.525 4.572 0 40 GJAB COc1cc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)ccc1OC(C)C 44885386 BCTPNBUKOZZKRS-KRWDZBQOSA-N 385.504 4.690 0 40 GJAB CCOc1c(Cl)cc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1OC 49765809 FFNIHFKRVZWZRL-SFHVURJKSA-N 388.895 4.900 0 40 GJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@@H]1CCc2cc(Cl)ccc21 55737742 AXGGYTVUHWXVSL-GOSISDBHSA-N 384.838 4.870 0 40 GJAB Cc1ccccc1NC1CCN([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 58178021 NKUQIXATSBPNNS-OAHLLOKOSA-N 396.560 4.547 0 40 GJAB Cn1c(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)nc2ccccc21 58329910 ISRUAXHXAJHTLQ-UHFFFAOYSA-N 396.244 4.848 0 40 GJAB CO[C@H](C)c1cccc(NC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 67284997 PIVWEVDGFMBJGA-BFUOFWGJSA-N 392.858 4.792 0 40 GJAB O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(Cl)cc1 67298123 CHGVKHYUWOWJKU-PYCFMQQDSA-N 397.843 4.733 0 40 GJAB Cc1ccc(CN(Cc2ccco2)C(=O)c2[nH]c3c(c2C)C(=O)CCC3)s1 68908819 RUIAVVGRKOKWLV-UHFFFAOYSA-N 382.485 4.648 0 40 GJAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(Cn2ccnc2)cc1 69537998 PXOUMQFSSIWRED-DEOSSOPVSA-N 381.479 4.645 0 40 GJAB CCc1nc2ccccc2n1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 72365991 JNZMQVDZYSYQLJ-UHFFFAOYSA-N 390.462 4.696 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)C12CCCCC2 72400503 FBEPIJCMTHMDHT-UWJYYQICSA-N 391.515 4.761 0 40 GJAB O=C(NNc1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 84502089 OGHJRAHWHRPKDN-UONOGXRCSA-N 399.210 4.715 0 40 GJAB CC(C)n1ncc2c1N=C(O)CS[C@H]2c1cc(Br)ccc1F 95476402 YEFNRRUAEBFRCI-AWEZNQCLSA-N 384.274 4.790 0 40 GJAB CC1(C)[C@@]2(C(=O)Nc3ccc(F)cc3)CC[C@@]1(C)c1nc3ccccc3nc12 100767672 IFLXSOWFCLCCJF-GOTSBHOMSA-N 375.447 4.737 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)c1 105607135 RRSSXCNPVVKAEE-QGZVFWFLSA-N 380.488 4.651 0 40 GJAB CCOC(=O)c1cc(NC(=O)CSCc2cccc(C)c2)ccc1Cl 222744383 RFWQZZLKXYXWGQ-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC)o2)cc1 222802911 GLUXHQYGWFKGGK-LEWJYISDSA-N 393.512 4.733 0 40 GJAB CCOc1ccc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)cc1 223716795 YWXACXVSXXRDMC-UHFFFAOYSA-N 397.496 4.698 0 40 GJAB Cc1cccc([C@H](NC(=S)Nc2ccc3c(c2)OCO3)c2ccccc2)c1 225698808 YTGOCYMLTKNCBK-OAQYLSRUSA-N 376.481 4.800 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSc1ccc(C)cc1 225715533 IQCJPYMQNGIAFC-QFIPXVFZSA-N 383.557 4.940 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225824611 CHRNMLYAVIZWIH-QVKFZJNVSA-N 379.497 4.574 0 40 GJAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCCCCC1 225830480 ORIKZNLTBSBJMC-INIZCTEOSA-N 391.508 4.719 0 40 GJAB CCc1cc(Br)cc(C)c1NC(=O)COc1cccc2cccnc12 226095850 UEBQNQWYALJBAX-UHFFFAOYSA-N 399.288 4.886 0 40 GJAB O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1Sc1ccc(Cl)cc1 245237846 ZDVZMVOUUUFQCG-MBZVMHRFSA-N 399.899 4.953 0 40 GJAB Clc1ccccc1CN1CCC(c2cccc(Nc3cnccn3)n2)CC1 257242791 IEDNBHZCHIITCE-UHFFFAOYSA-N 379.895 4.648 0 40 GJAB COC1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCCCC1 260816903 RRQOBYREHLJHKT-LJQANCHMSA-N 388.552 4.618 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1C(F)(F)F 675008434 YLKDMWYOUVGJLV-CQSZACIVSA-N 397.443 4.959 0 40 GJAB NC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCCCCC2 995993 OYYBGWGBQMYUOB-UHFFFAOYSA-N 378.497 4.912 0 40 GJAB CCNC(=O)Nc1cc2nc(C)n(Cc3ccc(-c4ccccc4)cc3)c2nc1C 1336296 IJEDTIDDIIFFGO-UHFFFAOYSA-N 399.498 4.905 0 40 GJAB CC(=O)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(F)cc2)cs1 1405100 DWLHARQLRSDOLH-UHFFFAOYSA-N 378.432 4.760 0 40 GJAB COc1cc2c(cc1OC)C(c1cccnc1Oc1ccc(Cl)cc1)=NCC2 2561718 DDIGZUUAGLRWOV-UHFFFAOYSA-N 394.858 4.938 0 40 GJAB COc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)cc2)cc1 2806385 YGSUGJPNWQCZOQ-UHFFFAOYSA-N 382.423 4.532 0 40 GJAB CCCc1cc(=O)oc2cc(OCc3ccc(C(=O)OC)cc3)c(Cl)cc12 3234298 XFBOTWHWEDMYRB-UHFFFAOYSA-N 386.831 4.765 0 40 GJAB CC(C)(C)c1ccc(OCCNC(=O)CSc2ccc(Cl)cc2)cc1 4118928 OMWVTUOLPFASIF-UHFFFAOYSA-N 377.937 4.925 0 40 GJAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Sc3ccc(C)cc3)s2)cc1 4174554 DVMZFBFCWGEDIA-CYBMUJFWSA-N 385.514 4.641 0 40 GJAB CCN(CC)CCN(C(=O)Cc1ccccc1)c1nc2ccc(C)cc2s1 4359440 BQQCUOPMMXIHGM-UHFFFAOYSA-N 381.545 4.522 0 40 GJAB CC(=O)c1sc(NC(=O)CSc2ccc(F)cc2)nc1-c1ccccc1 4496725 AJNVCXGTVAFXDE-UHFFFAOYSA-N 386.473 4.883 0 40 GJAB Cc1cc2nc(C3CCN(CC(=O)Nc4cccc(Cl)c4)CC3)[nH]c2cc1C 4966435 LSLSUQXJGGKBGR-UHFFFAOYSA-N 396.922 4.651 0 40 GJAB Cc1cc(C(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c(C)n1C1CC1 5534827 HMFMSFRAAAXCTQ-UHFFFAOYSA-N 380.271 4.715 0 40 GJAB C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 6587129 OCLHYVZEMBDNNR-GFCCVEGCSA-N 394.254 4.527 0 40 GJAB Cc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 6922839 QKQZEKKTBGAMSI-FGCOXFRFSA-N 379.500 4.592 0 40 GJAB biogenic COc1ccc(CN(CC(=O)Nc2c(Cl)ccc(C)c2Cl)C2CC2)cc1 7661754 AESDVTFPWUREIR-UHFFFAOYSA-N 393.314 4.914 0 40 GJAB CN(C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc2ccccc2c1 8036926 KCALRMFIZHUFKI-UHFFFAOYSA-N 387.483 4.747 0 40 GJAB CCOCCCNCc1cc(Br)ccc1OCc1ccccc1F 8253165 CYQUOJAGUNCRQQ-UHFFFAOYSA-N 396.300 4.683 0 40 GJAB CCOc1cc(CN[C@@H](CC)CO)ccc1OCc1ccc(Cl)cc1Cl 8326359 OGPIJKBOIYWCGW-KRWDZBQOSA-N 398.330 4.832 0 40 GJAB Cc1cc(NC(=O)/C=C/c2ccccc2)c(C)cc1I 8333946 ROEHFEVQWLMFHP-CMDGGOBGSA-N 377.225 4.560 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 8434295 BQJHODVLOIVQTK-QZTJIDSGSA-N 396.874 4.580 0 40 GJAB COc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2)c1 9158633 KXFPORYTWKNYSE-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB O=C1CCC[C@H]1Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 9592994 FTXYCCAXNNEGQI-GOSISDBHSA-N 399.903 4.713 0 40 GJAB CCCC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 12242059 DXCVAESTOYUGRS-UHFFFAOYSA-N 385.533 4.508 0 40 GJAB COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCCc1ccccc1 12371664 CSRTWGONOQTODF-QGZVFWFLSA-N 379.481 4.852 0 40 GJAB O=C1c2ccccc2N[C@H](c2c(Cl)cccc2Cl)N1C[C@H]1CCCO1 12563071 AHIFVVXUCUNGAP-XIKOKIGWSA-N 377.271 4.739 0 40 GJAB O=C(CCn1ccc2ccc(Br)cc21)Nc1ccc2cc[nH]c2c1 12664591 QVTGDFWIGWLGFP-UHFFFAOYSA-N 382.261 4.914 0 40 GJAB biogenic CCCCn1nc(-c2nnc(-c3c(F)cccc3Cl)o2)c2ccccc2c1=O 12736839 JSTMPJILODQGKY-UHFFFAOYSA-N 398.825 4.706 0 40 GJAB O=C(/C=C/c1ccccc1Br)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12739418 OIJWBHZBVGZQJW-IENJSVCTSA-N 396.288 4.702 0 40 GJAB CCCOc1c(Cl)cc(C(=O)Nc2nnc(C(C)C)s2)cc1OCC 12778638 QAZRZESSQWVQPQ-UHFFFAOYSA-N 383.901 4.755 0 40 GJAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c(F)c1 12928147 CUAMJLQSQOOIHL-JOCHJYFZSA-N 380.488 4.782 0 40 GJAB O=C(CCSCc1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1 13688151 LRJBAZFVMFAJAV-UHFFFAOYSA-N 396.556 4.965 0 40 GJAB C[C@H]1CN(C(=O)c2ccc(COc3cccc4ccccc34)cc2)C[C@@H](C)O1 13882110 NNTUSYMOTQWYOW-HDICACEKSA-N 375.468 4.668 0 40 GJAB CSc1ncc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)n1-c1ccc(F)cc1 15321649 ZBZBVLDZSNQASD-NSHDSACASA-N 391.418 4.503 0 40 GJAB Cc1cccc(CN(C(=O)NC2CCCCC2)c2nnc3n2CCCCC3)c1C 16769775 UXRJCDUQMQWIAB-UHFFFAOYSA-N 395.551 4.670 0 40 GJAB O=C(COc1ccc(F)cc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 20103059 WYABAZBYMHPXAE-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB Cc1[nH]c2ccccc2c1CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20760682 VCWNOQGGXGVZJV-UHFFFAOYSA-N 377.875 4.738 0 40 GJAB biogenic Cc1cc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCCC2)ccc1Cl 21170865 DMYFVQCCZPFMGB-LJQANCHMSA-N 392.971 4.674 0 40 GJAB Cc1cccc(C)c1NC(=O)CCCSCC(=O)Nc1c(F)cccc1F 21275634 RUVBPJALTXXFOJ-UHFFFAOYSA-N 392.471 4.672 0 40 GJAB O=C(Nc1cccc2c1CCCC2)c1ccc(-n2cnc3ccccc3c2=O)cc1 22879999 PKVLWNVDXYDKBE-UHFFFAOYSA-N 395.462 4.517 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc2c(Cl)cccc2[nH]1 24839794 JZDJCGNBLCBCQM-UHFFFAOYSA-N 392.890 4.613 0 40 GJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)[C@@H]1COc2ccccc2C1 24964395 SHOPYMFHBMHECH-UNMCSNQZSA-N 396.490 4.667 0 40 GJAB Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3c2C(=O)[C@H](C)[C@@H]3C)cc1 26896980 XCZUZXPVGMDCHU-JKSUJKDBSA-N 379.481 4.636 0 40 GJAB Fc1ccc(-c2nn(-c3ccccc3)cc2NC(=S)NCc2ccco2)cc1 27515785 JSXIOSUTJWJUEL-UHFFFAOYSA-N 392.459 4.758 0 40 GJAB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 27664227 QZFYQXFPMXDGGJ-OAQYLSRUSA-N 386.923 4.694 0 40 GJAB O=C([C@H]1Cc2ccccc2S1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 31318011 XMNAOHLKXGOCNJ-GOSISDBHSA-N 377.431 4.913 0 40 GJAB O=C(CCc1cccc(Cl)c1Cl)Nc1cccc(N2CCCC2=O)c1 31707505 AIWLBEBKXKXTNX-UHFFFAOYSA-N 377.271 4.692 0 40 GJAB CC(C)COc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)cc1 33706025 PIKREWDSOBQDST-UHFFFAOYSA-N 394.496 4.707 0 40 GJAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1 37385717 QLLDPZGBLSAKNA-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB CCCC(=O)Nc1ccc(CNCc2cc(Br)ccc2F)cc1 47719630 XSWFVELIIZGDAO-UHFFFAOYSA-N 379.273 4.617 0 40 GJAB Fc1cccc(-c2nnc([C@@H]3CC34CCN(c3nc5ccccc5o3)CC4)o2)c1 71890502 YSPCBUNKDLVRAJ-INIZCTEOSA-N 390.418 4.791 0 40 GJAB O=C(COc1ccccc1F)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72230069 JDYQFMDNXCOMES-NRFANRHFSA-N 385.822 4.578 0 40 GJAB COc1ccc(CN2CCC[C@@H](c3cncc(-c4cccc(OC)c4)n3)C2)cc1 72359292 GLKFDMGMXYOLFN-HXUWFJFHSA-N 389.499 4.540 0 40 GJAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1cccc(C)c1C 82086485 ZTUASSOBQUQPQZ-JOCHJYFZSA-N 391.515 4.806 0 40 GJAB COc1cc(C(=O)Nc2cc(Cl)ccn2)cc(OC)c1OCc1ccccc1 95959730 QRKGJGIMLNRAKX-UHFFFAOYSA-N 398.846 4.584 0 40 GJAB CO[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(C)s1 96104737 XLFCGDXUKODPKV-IBGZPJMESA-N 379.481 4.798 0 40 GJAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1 102703804 SOZJITLHFNOERV-VGOFRKELSA-N 386.455 4.660 0 40 GJAB Cc1ccc(-n2ncc(C(=O)Nc3cc(F)c(F)cc3F)c2C(F)(F)F)cc1 104479299 GVMCENFXGWFNDB-UHFFFAOYSA-N 399.294 4.869 0 40 GJAB COc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 216287148 GCXAHFCXDSFGBF-FDDCHVKYSA-N 375.468 4.677 0 40 GJAB CC(C)n1c(Cl)nc2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc21 222547520 XPCYRRWUKYWQKH-UHFFFAOYSA-N 380.879 4.724 0 40 GJAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2cccc(Br)c2)cc1C 223493272 JAXXIMMAJBDZAM-OAHLLOKOSA-N 396.350 4.555 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCCOc2ccc3ccccc3c2)cc1 223639705 MBKANDKRGKZADK-QHCPKHFHSA-N 377.484 4.755 0 40 GJAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(Cl)cc1Cl 224282894 QGLGJHOTHCDNOW-UHFFFAOYSA-N 378.190 4.967 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COCCC)c2)cc1 224419538 GIBUWODIDSLYHD-UHFFFAOYSA-N 399.487 4.831 0 40 GJAB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C(=O)OC 225853404 UDKUICGPSBXUEP-ZHRRBRCNSA-N 391.508 4.576 0 40 GJAB CC(C)CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1 225892533 NWASBZZGWRKDGM-UHFFFAOYSA-N 399.564 4.592 0 40 GJAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)c2ccccn2)CO[C@H]1c1cccc(F)c1 257303432 SHFVYLBKKKWEJY-RRPUWOKSSA-N 382.479 4.629 0 40 GJAB COc1cc(-c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)ccc1OC(F)F 1505840473 QOHDGAJYMWQAIU-SECBINFHSA-N 392.427 4.799 0 40 GJAB CCN(C(=O)COc1ccc(C)cc1)c1nc(-c2ccc(OC)cc2)cs1 929086 CJZKQSJBLPVXSC-UHFFFAOYSA-N 382.485 4.559 0 40 GJAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4nc(C)cs4)sc3n2)cc1 1102188 PUTTYKNQTZCRTE-UHFFFAOYSA-N 396.497 4.571 0 40 GJAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)C(C)C)cc12 1322321 IODHAEHGGUFDHW-UHFFFAOYSA-N 382.412 4.847 0 40 GJAB biogenic Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 1364553 VYTONPHSWYKCLA-UHFFFAOYSA-N 392.528 4.551 0 40 GJAB CCOC(=O)[C@@H](Oc1ccc2oc(C)c(C(=O)OC(C)C)c2c1)c1ccccc1 1463668 GWERSLRYECUVEB-NRFANRHFSA-N 396.439 4.990 0 40 GJAB biogenic Cc1ccc(Cl)cc1N1CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1 2309906 ATKJTXCCEVTXFH-UHFFFAOYSA-N 395.869 4.539 0 40 GJAB C[C@@H]1CCc2c(sc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)C1 2655631 SNMBMZLFDKOUQN-MRXNPFEDSA-N 392.572 4.893 0 40 GJAB CCOc1ccc(-n2c(N)c(C(=O)Nc3ccc(F)cc3)sc2=S)cc1 3027059 FFLWGBNGJUTAPN-UHFFFAOYSA-N 389.477 4.641 0 40 GJAB CCS(=O)(=O)c1ccc2oc(SCc3nc4ccccc4s3)nc2c1 3276564 YWQNOUMAHZWOBP-UHFFFAOYSA-N 390.511 4.523 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2 4088702 WRSKNXAOPFDLGT-UHFFFAOYSA-N 399.903 4.842 0 40 GJAB CCN1CCN(c2ccc(Cl)cc2NC(=O)c2oc3ccccc3c2C)CC1 5172743 UUOOFBKYEBLVSQ-UHFFFAOYSA-N 397.906 4.789 0 40 GJAB COc1ccccc1NC(=O)[C@H](C)Sc1nc(C)nc2sc(C)c(C)c12 5428971 LUNZCWDQUYDJAF-LBPRGKRZSA-N 387.530 4.744 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 5661342 UIKWDVYBFXGSSX-MDWZMJQESA-N 386.407 4.861 0 40 GJAB c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)c1 5739431 GDHYHXISVVXYFL-KKSFZXQISA-N 376.437 4.719 0 40 GJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2cccc3ncccc23)s1 6553144 XEWZBAOXXYHLSC-UHFFFAOYSA-N 377.444 4.987 0 40 GJAB O=C(NCc1cccs1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 7787132 ZKIQEJDFCRGHDO-UHFFFAOYSA-N 394.887 4.579 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7882492 VHMXCBJPQOAMAK-INIZCTEOSA-N 378.859 4.793 0 40 GJAB Cc1ccc(Cn2nc(C)c([C@@H]3Nc4ccccc4C(=O)N3C3CC3)c2C)cc1 7886262 GLMBUCQDTFKOGF-HSZRJFAPSA-N 386.499 4.586 0 40 GJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1c[nH]c2ccccc12 8133114 AFYMNNDSXDFKRM-UHFFFAOYSA-N 392.459 4.875 0 40 GJAB CC(=O)c1cc(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)oc1C 8134475 NTAAIYZRWZSOGO-UHFFFAOYSA-N 393.468 4.738 0 40 GJAB CCc1cccc2c(-c3csc(Cc4nnc5n4CCCCC5)n3)c[nH]c12 8943726 LGDVKBAHEPLACA-UHFFFAOYSA-N 377.517 4.763 0 40 GJAB O=C1CSc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2N1 9074543 SMSDKTLAYZHIPU-UHFFFAOYSA-N 375.449 4.677 0 40 GJAB COc1cccc(NC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 11562105 GNCCAWYERZHKDW-UHFFFAOYSA-N 379.441 4.887 0 40 GJAB COc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 11923380 OQOHCJBANQRMRI-UHFFFAOYSA-N 389.480 4.921 0 40 GJAB COc1ccc2oc(=O)c(-c3csc(-c4ccc(OC)c(OC)c4)n3)cc2c1 12389413 ORGBUFARADSZPL-UHFFFAOYSA-N 395.436 4.609 0 40 GJAB CCN(C(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccc(F)cc1 12525678 WWORKUMIKBTNKX-UHFFFAOYSA-N 379.407 4.543 0 40 GJAB Cc1c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)[nH]c2c1C(=O)CC(C)(C)C2 12795774 PYBPJDJOAJDNKM-UHFFFAOYSA-N 394.471 4.772 0 40 GJAB CCCN(C(=O)CSc1nc2ccccc2c(=O)n1C(C)C)C1=CCCCC1 12800280 MDKCCOHFWVMZLY-UHFFFAOYSA-N 399.560 4.766 0 40 GJAB CC(C)[C@@H](NC(=O)COc1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1 12824877 GXISLARVTHMCEX-GOSISDBHSA-N 392.286 4.762 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12972121 HNZPTJAPRGQEAJ-CSKARUKUSA-N 382.891 4.539 0 40 GJAB CCOc1cc2ccccc2cc1C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1 12979018 FNFWBPIBYWDGJS-UHFFFAOYSA-N 396.874 4.603 0 40 GJAB CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 13495005 OEMSKEGXPMNYJA-OAHLLOKOSA-N 393.487 4.924 0 40 GJAB O=C(Nc1ccc(CN2CCCC2)cc1)Nc1ccc(CN2CCCC2)cc1 14187930 BMXPYXNWLKNTIP-UHFFFAOYSA-N 378.520 4.522 0 40 GJAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 14291483 PRYDNZHYOBFRLM-UHFFFAOYSA-N 384.206 4.954 0 40 GJAB Cc1nc(NCc2ccc(C(=O)O)cc2)c2c(-c3ccccc3)csc2n1 20316767 YOJXPFGRNBQVQP-UHFFFAOYSA-N 375.453 4.977 0 40 GJAB C[C@@H](OC(=O)c1cc2c(F)cccc2s1)C(=O)N[C@H](C)c1ccc(F)cc1 24899321 FJEFHANSOUZRFB-VXGBXAGGSA-N 389.423 4.602 0 40 GJAB COc1cccc2c1N(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)CCC2 26338951 IVLMZOXFPSOJPM-UHFFFAOYSA-N 398.812 4.759 0 40 GJAB Cc1ccccc1-n1c(COc2ccccc2)nn(CN2CCCCC2)c1=S 26442260 HTXJAXWWSKROML-UHFFFAOYSA-N 394.544 4.734 0 40 GJAB Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCCCC2)cc1 27582058 ANTSNYHZPHYYIZ-JOCHJYFZSA-N 384.951 4.924 0 40 GJAB O=c1[nH]c(Sc2nc(-c3ccccc3)nc3ccccc23)nc2ccccc12 27692434 IHOQGTFTAWWQTQ-UHFFFAOYSA-N 382.448 4.685 0 40 GJAB Cc1cc(OCC(=O)NCCc2csc(-c3ccccc3)n2)ccc1Cl 27993516 PNGQBEGBZUUFPF-UHFFFAOYSA-N 386.904 4.510 0 40 GJAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 30865384 HIKUCQBJKAFRKW-JTHBVZDNSA-N 382.548 4.768 0 40 GJAB CC(C)Oc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 30940310 AHUZJSCLJCATHV-GOSISDBHSA-N 386.923 4.978 0 40 GJAB COc1ccc(C(=O)Oc2ccc3c(-c4ccc(F)cc4)noc3c2)cc1OC 32089478 QRHVPVBFEDHULM-UHFFFAOYSA-N 393.370 4.870 0 40 GJAB O=C(Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)c1ccc(F)cc1F 40110734 ICRNSJNAJXQRIF-UHFFFAOYSA-N 376.378 4.875 0 40 GJAB CCCOc1ccc(C(=O)CCC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 48361704 ZOLDSGRMVZSJPN-UHFFFAOYSA-N 395.499 4.550 0 40 GJAB CCc1ccc(Nc2nn(CN(Cc3cccnc3)C3CC3)c(=S)s2)cc1 57406592 NDKWUNPFHSVPRZ-UHFFFAOYSA-N 397.573 4.997 0 40 GJAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 58341094 WXVWPKHTVYSLTC-JSGCOSHPSA-N 379.378 4.553 0 40 GJAB O=C(Nc1ccc2[nH]ccc2c1)c1cc(O)c(OCc2ccc(Cl)cc2)cn1 61720256 GEEVLENKBGHLRG-UHFFFAOYSA-N 393.830 4.753 0 40 GJAB CCCN(CCC)C(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 67289759 OTUKDRAZRVGFMT-UHFFFAOYSA-N 396.560 4.754 0 40 GJAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1ccc(-n2cccc2)cc1 79481530 YBUCVTMZSLEUBN-UHFFFAOYSA-N 396.406 4.867 0 40 GJAB COc1cccc(OCCn2c([C@@H](C)N3CCCCC3)nc3ccccc32)c1 82086491 GSKQIHOQOVWBJR-GOSISDBHSA-N 379.504 4.671 0 40 GJAB Fc1c(F)c(F)c(NCc2cccc(COC3CCOCC3)c2)c(F)c1F 96011578 AKLIFWJBDVRGDQ-UHFFFAOYSA-N 387.348 4.690 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc23)o1 96052617 AWZJKRUOXFOEDQ-IBGZPJMESA-N 380.532 4.524 0 40 GJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1cccc(CCc2ccccn2)c1 98064872 YLKABKXAWARZBH-FYWRMAATSA-N 398.915 4.933 0 40 GJAB O=C1/C(=C\c2ccc(Cl)cc2)NC(=S)N1c1cccc(Cl)c1Cl 100398766 DVPWXWZTTGQGTF-XYOKQWHBSA-N 383.687 4.909 0 40 GJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1ccccc1Cl)c1ccccc1 100426602 VENLMPJFQHDOOV-QZTJIDSGSA-N 397.906 4.687 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2)C[C@H](c2ccc(Cl)cc2)C1 102668633 VFNQOAPGBCNWCB-MGPUTAFESA-N 376.847 4.997 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 216482245 CMBLGEAXXBFGDS-LAUBAEHRSA-N 382.504 4.628 0 40 GJAB C[C@@H](Oc1ccccc1)C(=O)NCCSCc1c(Cl)cccc1Cl 219482182 KFPAMYSTSTXTPU-CYBMUJFWSA-N 384.328 4.810 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222734995 DJRQQEMJUMBCHY-OXQOHEQNSA-N 397.515 4.790 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Sc3ccc(Cl)cc3)ccc21 225075701 QRXAMHZFVQYRDA-NSHDSACASA-N 392.933 4.856 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](CC)C(=O)NC1CCCCC1 225187361 IWWFTKFFWIMSMN-IBGZPJMESA-N 378.944 4.696 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccccc2Cl)c(C)c1 225541385 YUYQMEYADLMQDA-UHFFFAOYSA-N 390.936 4.744 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCCCCC1 225711455 AITBGVUHWFRJCK-UHFFFAOYSA-N 390.568 4.865 0 40 GJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225731005 WLIYZAFPEQDQGY-QHCPKHFHSA-N 390.568 4.721 0 40 GJAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 225786952 AGIDWLAFPSQXLD-KRWDZBQOSA-N 384.951 4.992 0 40 GJAB COc1ccc(-n2cccc2CN(C)C(=O)c2ccc3oc(Cl)nc3c2)cc1 225984945 FZZUOPYNACYLRM-UHFFFAOYSA-N 395.846 4.553 0 40 GJAB NC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 226334966 LMJUEWFJFPMLOS-PKNBQFBNSA-N 382.257 4.680 0 40 GJAB CC[C@@H](Nc1ncncc1-c1nc(-c2ccccc2F)no1)c1cccs1 252482455 DFXAKWUJYWOPIU-OAHLLOKOSA-N 381.436 4.957 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(I)cc2F)c(Cl)c1 408624748 ZPDFVADEJNBDMJ-UHFFFAOYSA-N 389.595 4.644 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(C)ccc3C)n2)c1 408698155 LOTJIDIOQCCQJH-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB O=C(N[C@@H](Cc1ccccc1)c1ncco1)N[C@H]1C[C@H](c2ccccc2Cl)C1 654575649 IIJJSQCWPCRATQ-ZWOKBUDYSA-N 395.890 4.857 0 40 GJAB COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)C(C)(C)C)c3ccccc32)c1 817615 LSVNRFUPFCESLS-UHFFFAOYSA-N 394.471 4.526 0 40 GJAB CCN(C(=O)c1cccc(C)c1)c1nc(-c2cc(OC)ccc2OC)cs1 881014 KGZUGMFESYDYRI-UHFFFAOYSA-N 382.485 4.802 0 40 GJAB CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1066785 PBEVMHPGDGVRJF-AWEZNQCLSA-N 385.411 4.501 0 40 GJAB CC(C)(C)OC(=O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 1236780 QQHSSPNWKLGYBF-UHFFFAOYSA-N 386.831 4.834 0 40 GJAB Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NC2CCCCC2)cc1 1464324 QFIBSPUMMVWKRP-RCCKNPSSSA-N 396.918 4.868 0 40 GJAB C[C@H]1CCc2sc(NC(=O)c3ccc(Cl)cc3Cl)c(C(N)=O)c2C1 1518479 OKXQABXNVWRYIN-QMMMGPOBSA-N 383.300 4.531 0 40 GJAB CCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 1769973 BETGBLHFKZYXKK-HNNXBMFYSA-N 382.412 4.614 0 40 GJAB biogenic CCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(CC)cc3)coc2c1 1775072 VNGASMTYXORZTG-OAHLLOKOSA-N 396.439 4.868 0 40 GJAB Cc1ccc(C)c(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)c1 2247652 XUTJIDBXEAVDIY-UHFFFAOYSA-N 388.471 4.728 0 40 GJAB CC(C)(C)c1ccc(S(=O)(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 2686647 SARXVNZUEGJPGN-UHFFFAOYSA-N 376.861 4.577 0 40 GJAB Cc1ccc(C)c(CSC2=NCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 4120296 BAVPZSNMOTXAKQ-UHFFFAOYSA-N 382.573 4.951 0 40 GJAB CC(C)c1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)cc1 4164352 ZMSHIFMKDNYFDC-ATLSCFEFSA-N 384.501 4.619 0 40 GJAB Cc1cccc(-n2ncc3c(=O)n(Cc4ccc(Cl)c(Cl)c4)cnc32)c1C 4479237 NVYXOLYRNPMTTG-UHFFFAOYSA-N 399.281 4.554 0 40 GJAB CC1=C(C)C[C@H](C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)[C@@H](C(=O)O)C1 4651457 DKBMKSLNFMHPCW-GJZGRUSLSA-N 390.892 4.849 0 40 GJAB Cc1cc(C)cc(-c2nnc(SCC(=O)N[C@H](C)CCc3ccccc3)o2)c1 5219323 MGAFERBRAUHNMY-QGZVFWFLSA-N 395.528 4.583 0 40 GJAB CCn1c2ccccc2c2cc(/C=c3\sc4nc5ccccc5n4c3=O)ccc21 5611096 HPRJGSBGCALBBX-HMAPJEAMSA-N 395.487 4.585 0 40 GJAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccnc1Cl 6053826 FKRFRCGZGMZQBA-UHFFFAOYSA-N 381.844 4.970 0 40 GJAB CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)nc1C 6206666 HVUBPCBBKTUJGK-UHFFFAOYSA-N 384.457 4.757 0 40 GJAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)ccc12 6421219 WSVMSUHSWFENQG-NSHDSACASA-N 392.238 4.814 0 40 GJAB O=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1cccs1 6498777 HXIGHGWYYQERKO-UHFFFAOYSA-N 388.246 4.899 0 40 GJAB O=C(Cc1cccs1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 7779643 OEESLLASQXISJY-XBXARRHUSA-N 391.492 4.808 0 40 GJAB C[C@@H](Nc1nc(-c2cc3c4c(c2)CC(=O)N4CCC3)cs1)c1ccccc1 8296506 JKPMWUNOFBFAGV-CQSZACIVSA-N 375.497 4.819 0 40 GJAB Cc1cc(OCCCC(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)ccc1Cl 9112704 LPJRYIFNFSUYCW-HXUWFJFHSA-N 397.906 4.631 0 40 GJAB CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1 9668747 XRZWEOHZULTBDQ-DTQAZKPQSA-N 388.442 4.750 0 40 GJAB CCC[C@@H](C)NC(=O)C(=O)c1c(-c2ccc(OC)c(Cl)c2)cc2ccccn12 10119257 GYCYKUOLWOZWEQ-CQSZACIVSA-N 398.890 4.756 0 40 GJAB C[C@H](Sc1nncn1C1CC1)C(=O)Nc1ccccc1Sc1ccccc1 10649570 MIKBOKNEURAHEP-AWEZNQCLSA-N 396.541 4.884 0 40 GJAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccccc2C)cc1 11116819 URUICNKVGZOILK-SFTDATJTSA-N 393.512 4.511 0 40 GJAB O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 11585891 DYJNUNVSRFOURI-MRXNPFEDSA-N 390.270 4.612 0 40 GJAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)C4CCC4)n3)ccc21 12220029 UNGRKVGEIPAYPI-UHFFFAOYSA-N 397.544 4.508 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1F 12520332 ZRFYYESBCMCNLJ-QFIPXVFZSA-N 393.506 4.695 0 40 GJAB O=C(Nc1nccs1)c1cccnc1Sc1cccc(C(F)(F)F)c1 12763173 RWEONYQEEXYGJI-UHFFFAOYSA-N 381.404 4.960 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccc(F)cc1F 12865020 WCLIJRDBOYLPEX-LLVKDONJSA-N 390.411 4.671 0 40 GJAB COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 13495019 NQUHPDUNUYKUKK-AWEZNQCLSA-N 379.460 4.534 0 40 GJAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 13685544 UDIWLMJOMJMNFG-MRXNPFEDSA-N 390.483 4.774 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 13694905 KONBANVMCGJWCU-UHFFFAOYSA-N 396.899 4.786 0 40 GJAB CCc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](c1ccco1)C3 14607780 UFGHSZKWBFUZGH-ZDUSSCGKSA-N 392.846 4.513 0 40 GJAB COCc1cc(C)nc2sc(-c3ccon3)c(NC(=O)c3ccccc3C)c12 15107989 BATXYADNMSFORY-UHFFFAOYSA-N 393.468 4.967 0 40 GJAB COc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCCO)cc1F 15188665 UVFNCFGNMOEKLN-QOCHGBHMSA-N 392.883 4.633 0 40 GJAB O=C(CSc1nc2ccccc2s1)N[C@@H]1CCSc2ccc(F)cc21 16110442 GMJRUTOEIAMXQV-CYBMUJFWSA-N 390.530 4.881 0 40 GJAB CCOc1ccc(CC(=O)Nc2ccc(OC)c(-c3ccc(OC)cc3)c2)cc1 17604836 XMYBNSQBOKFQOJ-UHFFFAOYSA-N 391.467 4.951 0 40 GJAB CC[C@@H](C)NC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 20573236 ZVUSUSZCVNILHG-DYVFJYSZSA-N 384.867 4.577 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccccc1OC 22511843 MCZKGEASVNZIBE-OAQYLSRUSA-N 377.484 4.755 0 40 GJAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)CSc1ccc2ccccc2c1 23637170 SEWPRTXOXVZUHS-MRXNPFEDSA-N 379.481 4.811 0 40 GJAB COc1cc(OC)c(NC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1Cl 27078381 LVEADYJSTKFXAV-UHFFFAOYSA-N 390.789 4.590 0 40 GJAB COc1ccc(-c2cc(NC(=O)c3oc4cc(C)ccc4c3C)on2)cc1OC 27985575 LJBOGFHUCJEKEX-UHFFFAOYSA-N 392.411 4.974 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)N(Cc1cccc(F)c1)c1ccccn1 28292971 PLQFTPBRYKCZLC-IBGZPJMESA-N 382.410 4.751 0 40 GJAB Cc1ccc(NC(=O)c2ccc(CSc3nnc(N)s3)cc2)cc1Cl 32117952 HMHKYIQGTPRDJA-UHFFFAOYSA-N 390.921 4.627 0 40 GJAB O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)sc1Cl 32717118 KQHWINBJNATBNE-UHFFFAOYSA-N 376.208 4.875 0 40 GJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1F)O[C@@H](C)C2 32854025 GLJIJKKUWKARNG-NWDGAFQWSA-N 392.858 4.640 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3ccc4c(c3)CCC4)CCCC2)c1 32856110 UMFBSJDDVZBNMI-UHFFFAOYSA-N 397.540 4.517 0 40 GJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)cc2F)cc1 36392154 QMOVLIPSVOGFAZ-SFHVURJKSA-N 392.268 4.964 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](NCCc1cccs1)c1ccccc1 37185760 BOPGUXQHSNYXLS-NRFANRHFSA-N 380.513 4.577 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Br)cc1 40002599 AUGLELXPNMLYIA-UONOGXRCSA-N 391.309 4.526 0 40 GJAB Cc1cc(C)c(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)c(C)c1 40128149 JLPBOWYAEAEYIE-INIZCTEOSA-N 391.437 4.881 0 40 GJAB O=C(Nc1ccc(Sc2nncs2)cc1)c1ccc(OC(F)F)cc1 40150648 FNOLKCYZPLKGPA-UHFFFAOYSA-N 379.413 4.543 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)C1 44918621 JRTWPQZASLBWHL-PGRDOPGGSA-N 392.543 4.951 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)no2)cc1OC 46086826 SPXLRNYLBZROHW-UHFFFAOYSA-N 393.226 4.918 0 40 GJAB c1ccc(Cc2noc(CN3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1 48299405 BPBGZZRZFSIAQB-QHCPKHFHSA-N 381.479 4.808 0 40 GJAB O=C(CCc1nc(-c2ccccc2)no1)N(Cc1ccccc1)Cc1ccccc1 53266845 WXCMPTKIUYCESC-UHFFFAOYSA-N 397.478 4.898 0 40 GJAB COC(=O)c1ccc(/C=C(/CCCC(=O)O)c2nc3ccccc3s2)cc1 57645314 RSZJEKJCPWVJPR-SSZFMOIBSA-N 381.453 4.878 0 40 GJAB COc1ccccc1-c1noc(-c2cn(-c3ccccc3)c(=O)c3ccccc23)n1 64664180 XQRIPTOBSBZRIK-UHFFFAOYSA-N 395.418 4.716 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349825 SHWXUCWJSLSFFG-MRXNPFEDSA-N 381.476 4.672 0 40 GJAB O=S(=O)(c1nc(-c2ccccc2)sc1-c1ccccc1)N1CCCCC1 94992800 CZBPQKFIEJZGIF-UHFFFAOYSA-N 384.526 4.652 0 40 GJAB Cc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4ccccc4)cc3o2)cc1 98086910 HMFYFTXYFUWUSD-UHFFFAOYSA-N 387.464 4.930 0 40 GJAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 100424731 QZMAMTKUYJEXDN-HYRWMADMSA-N 392.587 4.905 0 40 GJAB O=C(NCC1=CSC2=NCCCN12)c1sc2cc(Cl)ccc2c1Cl 103058618 OYLHFCWATKCSEA-UHFFFAOYSA-N 398.340 4.588 0 40 GJAB CCCOc1ccc(Br)cc1C(=O)Oc1ccc(C)cc1C(C)=O 113839191 NSDATBCKXAILAX-UHFFFAOYSA-N 391.261 4.968 0 40 GJAB C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 197267884 LEEGZWHHBIEOSI-RPTYSRGTSA-N 378.255 4.655 0 40 GJAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2CC)cc1 224351728 CYHVLTQQXVPTDM-NHCUHLMSSA-N 376.529 4.643 0 40 GJAB CCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCC[C@@H](C)C1 225831518 FIHGGMBYMASEJW-XCGNWRKASA-N 391.508 4.574 0 40 GJAB O=C(c1cccs1)N1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 306131320 KBTVMVRMEOMBCU-HNNXBMFYSA-N 394.525 4.539 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(C)cc2)cc1 408698959 QJIHJMTWFPQXAO-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OCC 409060344 QFFPPMHWMAPNSW-UYRXBGFRSA-N 399.468 4.734 0 40 GJAB COc1cc(C)ccc1OCc1nnc(SCc2ccc(Cl)cc2)n1C 409339541 VUPYFGFCKAFUEB-UHFFFAOYSA-N 389.908 4.657 0 40 GJAB COc1ccc2cc(C(=O)NCCc3cn(C(C)C)c4ccccc34)[nH]c2c1 604418952 YIPUTKHKEMJPMA-UHFFFAOYSA-N 375.472 4.685 0 40 GJAB CCOC(=O)c1ccc(C(=O)N(C2CC2)C2CC(c3ccccc3C)C2)cc1 1126673234 CRKYECIFMRHQJT-UHFFFAOYSA-N 377.484 4.723 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)c2ccc(F)cc2F)CN1c1cccc(F)c1 1615120102 KPFSODJUTYJHEP-JOCHJYFZSA-N 388.433 4.768 0 40 GJAB C[C@@H](NC(=O)c1ccc(Br)cc1Br)c1ccccc1 682588 FOOZFIIYPGXXRD-SNVBAGLBSA-N 383.083 4.703 0 40 GJAB CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 823518 ISMYAFNGYSXEIB-GOSISDBHSA-N 376.884 4.624 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4c(C)cccc4C)n3c2c1 903036 OGCOLFXFMYIVMP-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)Nc1ccccc1F 1258293 WSPHNWVOIXJBBA-UHFFFAOYSA-N 388.427 4.542 0 40 GJAB CCOc1cc(C(=O)Nc2ccccc2OC(F)F)cc(OCC)c1OCC 1262937 WMMKTDGEGGKVFM-UHFFFAOYSA-N 395.402 4.736 0 40 GJAB Cc1nc(SCC(=O)NCc2ccccc2)c2c3c(sc2n1)C[C@@H](C)CC3 1326144 HTAFRHMPWPNRSC-ZDUSSCGKSA-N 397.569 4.533 0 40 GJAB CCCc1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2ccccc2n1 1342764 WKKOBEPTXJLDBD-UHFFFAOYSA-N 398.557 4.648 0 40 GJAB CCCCOCCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 2411841 JFXWICKWUMMSKM-UHFFFAOYSA-N 390.487 4.862 0 40 GJAB CC[C@H](C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1 3322702 VYWHPUSBNMGBEH-INIZCTEOSA-N 379.428 4.677 0 40 GJAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 3367885 LSMVXTZAVSTJLC-INIZCTEOSA-N 394.544 4.940 0 40 GJAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=S)Nc1ccccc1Cl 4888358 VWZKKNLCEWJVLN-GOOCMWNKSA-N 393.984 4.585 0 40 GJAB CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3cccs3)=NN12 5092359 OVALAEWTXRWALK-SFHVURJKSA-N 397.544 4.502 0 40 GJAB COc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC 5616772 YGEXAAYPVQHVNO-NSHDSACASA-N 384.259 4.725 0 40 GJAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1 6097338 KTBJMFIQLPITNO-IBGZPJMESA-N 396.491 4.616 0 40 GJAB O=C(Cc1c(Cl)cccc1Cl)NCC1(N2CCCCC2)CCCCC1 6542340 ZXUHUVIKXKWVJI-UHFFFAOYSA-N 383.363 4.841 0 40 GJAB COc1ccccc1[C@H](CNc1ncnc2sc(C)c(C)c12)N1CCCC1 6646866 LSPNOMINLUJHFL-KRWDZBQOSA-N 382.533 4.566 0 40 GJAB COc1cccc([C@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)c1 6786945 HOAZSJKFHGKIIY-QHCPKHFHSA-N 399.425 4.974 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Sc1ncccn1)c1ccccc1 6913802 NBLQZUDRWCFPIB-MRXNPFEDSA-N 389.402 4.968 0 40 GJAB CCN(CC)S(=O)(=O)c1ccc(S[C@@H](C)c2ccccc2Cl)nc1 7053381 UTZJGYORMBGQBK-ZDUSSCGKSA-N 384.954 4.619 0 40 GJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(=O)c2ccccc2o1 7723709 OATWLXDMVGHLRK-UHFFFAOYSA-N 382.828 4.822 0 40 GJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCC[C@H]2CCCC[C@H]21 8187248 CNTOHWFNZASGLT-WIYYLYMNSA-N 386.499 4.729 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O 8434218 JMOACTJXKKUSPY-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)cc1 8959812 HTRGQYVNRQDBJB-UHFFFAOYSA-N 380.488 4.655 0 40 GJAB CC(C)c1ccc([C@@H](NC(=O)c2ccc(NC(N)=O)cc2)c2cccs2)cc1 9984677 VVBIHKIGRLLAEN-HXUWFJFHSA-N 393.512 4.882 0 40 GJAB Cc1ccccc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 11339712 DYTADNZVOLSQBP-UHFFFAOYSA-N 381.479 4.837 0 40 GJAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H]1c1ccccc1 12811486 WKGVZBSQFQXVBX-HNNXBMFYSA-N 389.826 4.885 0 40 GJAB Cc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 13004099 MFDIAQJBMRXQSF-YBEGLDIGSA-N 387.867 4.653 0 40 GJAB COc1ccc([C@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 13800934 IYTXMKHNQQHTTJ-ISKFKSNPSA-N 386.451 4.946 0 40 GJAB Cc1ccc([C@H](NC(=O)Cc2cnn(-c3ccccc3)c2)c2ccccc2)cc1 14169944 UUHUFRRRBLRGCM-RUZDIDTESA-N 381.479 4.629 0 40 GJAB CCC(CC)C(=O)N1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1 19500111 PEHRTVCAWXBJKK-UHFFFAOYSA-N 383.414 4.692 0 40 GJAB Cc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)o1 21524388 NCXQVHOFBBTZQK-MRXNPFEDSA-N 384.863 4.946 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nccn2-c2cc(C)ccc2C)c1C 21649134 OFWGYOMGJHTDAB-UHFFFAOYSA-N 381.501 4.612 0 40 GJAB COc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccc(C)cc4)nc32)c1 21801295 FGHACILEXWDLRG-UHFFFAOYSA-N 383.455 4.669 0 40 GJAB CCCc1ccc(-c2nc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)sc2C)cc1 22875655 OJWJOMRQUPQMKX-ZDUSSCGKSA-N 387.549 4.560 0 40 GJAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cc(Cl)ccc3Cl)c12 25446083 KLEMCVVJYQQVJL-UHFFFAOYSA-N 377.275 4.959 0 40 GJAB CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 27663880 IJSANSDZADJBNS-FQEVSTJZSA-N 386.923 4.696 0 40 GJAB COc1ccc(OCc2ccc(C(=O)Nc3cc(C)nc4ccccc34)o2)cc1 27983832 ZWSMBUMSKNJTTF-UHFFFAOYSA-N 388.423 4.976 0 40 GJAB CCCOc1cccc(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)c1 27994513 IWNCRDQWKCPOQC-UHFFFAOYSA-N 396.512 4.580 0 40 GJAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 30866446 LOCNVWQHGVLSJW-UHFFFAOYSA-N 387.888 4.953 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 30943680 YOUPGUBFZYNQOW-RXVVDRJESA-N 384.951 4.690 0 40 GJAB Cc1nccc(-c2cccc(NC(=O)c3cc(F)ccc3Br)c2)n1 31801940 NJYABXSDTHHFPJ-UHFFFAOYSA-N 386.224 4.606 0 40 GJAB C[C@@H](NC(=O)c1ccc(CN2CCCCC2=O)cc1)c1cccc2ccccc12 32698910 JQIMUUURFWRSPU-GOSISDBHSA-N 386.495 4.843 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCc1cn2ccccc2n1 32777235 UAWPDONCDLBIOY-UHFFFAOYSA-N 383.860 4.777 0 40 GJAB O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccc(-c2ccc(F)cc2)s1 40148991 YKOFMOGMUKTRPI-UHFFFAOYSA-N 382.395 4.526 0 40 GJAB Cc1c(C)n(Cc2ccccn2)c2nc3c(c(N)c12)C[C@@H](c1ccccc1)CC3 40288441 LXMKKAMQESNKAG-IBGZPJMESA-N 382.511 4.951 0 40 GJAB COc1ccc([C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1OC 44900374 MBJHHCSLLYNKAN-CYBMUJFWSA-N 379.909 4.717 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n[nH]2)cc1 51315487 DGQFEGBTXLKPMN-UHFFFAOYSA-N 391.349 4.626 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(F)cc1Cl 51364528 HJXWRMAONHNVJF-OAHLLOKOSA-N 382.822 4.638 0 40 GJAB COc1ccc(Br)c(CO)c1OCc1ccc(Cl)cc1Cl 95095087 GCWDZVCCYKVPQQ-UHFFFAOYSA-N 392.076 4.836 0 40 GJAB O=C(CCc1c(F)cccc1Cl)NCc1cccc(Oc2ccccn2)c1 96104540 KAGKLFRYCFIRTH-UHFFFAOYSA-N 384.838 4.915 0 40 GJAB C[C@@]12CC3CC(Nc4nc(N5CCOCC5)nc5ccccc45)(C1)C[C@@](C)(C3)C2 100365212 NEQKRQNJWVQPQG-ZKNFIGSISA-N 392.547 4.627 0 40 GJAB CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Br)cc2)c1 216899592 XYDFSINYTUKTKT-YRNVUSSQSA-N 391.261 4.613 0 40 GJAB Cc1cccc(C(=O)O)c1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 217722543 BRGSRQBTORFVKC-UHFFFAOYSA-N 377.396 4.503 0 40 GJAB CCc1ccc(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 218953959 IBDQZAWJEGUVKD-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB O=C(N1CCS[C@H](c2cccs2)CC1)C1(c2ccccc2)CCOCC1 219502962 YATWJSPVQQWUKZ-IBGZPJMESA-N 387.570 4.503 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 222903688 CIDWRMIUFJJAMA-HSZRJFAPSA-N 396.531 4.518 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 223261258 YORLMABBSDYDNV-JOCHJYFZSA-N 394.559 4.568 0 40 GJAB CCCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223368215 KLKGTISWLBKAOZ-OFNKIYASSA-N 394.559 4.650 0 40 GJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)cc1F 224279378 JTHJSGLQMLPZOI-LBPRGKRZSA-N 392.268 4.873 0 40 GJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)c1 224539022 GTEHCSPKFQTMRD-RTWAWAEBSA-N 392.528 4.650 0 40 GJAB CCCCC(=O)NC(=S)Nc1cc(-c2cc3ccccc3oc2=O)ccc1C 408618626 DRXYAWSKCPLPGS-UHFFFAOYSA-N 394.496 4.772 0 40 GJAB CCCCCOc1ccc(/C=C2\N=C(c3ccc(OCC)cc3)OC2=O)cc1 409008724 BZDGQNDFJRCLQK-PGMHBOJBSA-N 379.456 4.999 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)c3cccc(Cl)c3Cl)co2)cc1 523699635 SCGXONUAUMMBQD-UHFFFAOYSA-N 375.255 4.929 0 40 GJAB Cc1ccccc1-n1nc2c(c1NC(=O)c1nc3ccccc3s1)CSC2 585157736 UEHFCQAYGWEXOU-UHFFFAOYSA-N 392.509 4.790 0 40 GJAB Cc1cc(O)nc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 1615613363 TUFSVMVLWXXATQ-UHFFFAOYSA-N 375.453 4.933 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)c1 882863 MHGHBIZWAODUJM-UHFFFAOYSA-N 392.528 4.584 0 40 GJAB COc1ccc(CNc2ncnc3scc(-c4ccc(OC)cc4)c23)cc1 2629605 BYPFGXCNLHJPSA-UHFFFAOYSA-N 377.469 4.988 0 40 GJAB CCCSc1nnc2c(n1)O[C@H](/C=C/c1cccs1)Nc1ccccc1-2 2742130 ADFWUSWYOMGNBV-ZNFPLGDCSA-N 382.514 4.946 0 40 GJAB O=C(O)c1ccc(N2C(=O)c3ccc(Oc4ccc(Cl)cc4)cc3C2=O)cc1 2751326 KIIYRQSJTZQFOD-UHFFFAOYSA-N 393.782 4.631 0 40 GJAB Ic1ccc(-c2cn3c(n2)sc2ccccc23)cc1 3159327 KZEPILXRBJPAQW-UHFFFAOYSA-N 376.222 4.821 0 40 GJAB biogenic O=C(OCC(=O)N1CCCc2ccccc21)c1sc2ccccc2c1Cl 3235643 YFFMEHWWYQGWHU-UHFFFAOYSA-N 385.872 4.691 0 40 GJAB Cc1ccc(CN2C(=O)[C@](O)(c3c(C)[nH]c4ccccc34)c3ccccc32)c(C)c1 4554234 HOOMJPBFBOCFHL-AREMUKBSSA-N 396.490 4.876 0 40 GJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1cc(OC)ccc1OC 4849280 BJTHQGYDNNYYPE-UHFFFAOYSA-N 396.512 4.854 0 40 GJAB O=C(c1ccc(Cl)s1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 5181920 XXTDXNBQRHDQRB-UHFFFAOYSA-N 398.340 4.627 0 40 GJAB Cc1cc(C)cc(C[C@@H](C(=O)O)[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 5199514 LRIUCVQDZOCJSG-KBXCAEBGSA-N 393.405 4.840 0 40 GJAB COc1cccc(-c2c(NC(=O)c3cccc(C)c3)n(C)c3ccccc3c2=O)c1 5307850 FINGUHHKKXLQMQ-UHFFFAOYSA-N 398.462 4.775 0 40 GJAB Cc1ccccc1CSc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1 5500793 LOKCXGFNVMTOMQ-HNNXBMFYSA-N 375.494 4.742 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1NC(=O)c1ccccc1C 5748371 XBEWACZSSADZMS-UHFFFAOYSA-N 388.423 4.506 0 40 GJAB O=C(Nc1ccccc1Cl)N1CCN(CC23CC4CC(CC(C4)C2)C3)CC1 6343738 VAVNTQCSNRDRCB-UHFFFAOYSA-N 387.955 4.706 0 40 GJAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 6708419 OLYYBYKMAREGCX-UHFFFAOYSA-N 391.496 4.705 0 40 GJAB C[C@H](CCCNC(=O)c1ccc(Cl)cc1)CNC(=O)c1ccc(Cl)cc1 6852794 BRTGBFSHCWNLRQ-CQSZACIVSA-N 393.314 4.570 0 40 GJAB O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cc(Cl)cc(Cl)c1 6876445 XTZOZWUHDACEAD-UHFFFAOYSA-N 395.217 4.943 0 40 GJAB O=S(=O)(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc(C(F)(F)F)c1 7055661 YOIHYSLWUAQHEN-UHFFFAOYSA-N 399.390 4.548 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2cc(=O)oc3c(C)c(C)ccc23)c(OC)c1 7740008 HUFZZYZGUFSFSS-OAQYLSRUSA-N 393.483 4.764 0 40 GJAB COc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 8071608 YKHBOZSPFLUQNM-UHFFFAOYSA-N 386.245 4.648 0 40 GJAB O=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1ccncc1 9420491 DWQDRFBERATHDU-UHFFFAOYSA-N 376.799 4.965 0 40 GJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCCc1ccc(Cl)cc1Cl 10042831 WSMUSUYSEIEDJU-UHFFFAOYSA-N 397.327 4.684 0 40 GJAB C[C@@H](OC(=O)c1cccc2c1C(=O)c1ccccc1-2)C(=O)c1cccc(Cl)c1 11565726 LHSCWJJGZLJSPQ-CYBMUJFWSA-N 390.822 4.980 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(CSc2nc(C(C)(C)C)n[nH]2)cs1 12258416 YELSUGGZRQAHBU-UHFFFAOYSA-N 387.534 4.536 0 40 GJAB CSCC[C@H](NC(=O)C(C)C)c1nc2ccccc2n1Cc1ccccc1 12648146 ZOLQDEFLLJPUBH-IBGZPJMESA-N 381.545 4.651 0 40 GJAB CN(CC(=O)Nc1ccc(CN2CCCC2)cc1)Cc1ccc2ccccc2c1 12748901 WHDUQWHQANNAHD-UHFFFAOYSA-N 387.527 4.506 0 40 GJAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O 12778606 SIZJFNISGXNMHV-HNNXBMFYSA-N 395.528 4.659 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccc(F)cc3)c2n1 13148907 WJOBIMFHUKBWOC-UHFFFAOYSA-N 393.245 4.684 0 40 GJAB Brc1ccccc1-c1nn2c(-c3cc4ccccc4[nH]3)nnc2s1 13733637 DWZAGGLMPFDEJH-UHFFFAOYSA-N 396.273 4.764 0 40 GJAB C[C@H](NC(=O)CSc1nc(CCC2CCCC2)n[nH]1)c1cc2ccccc2o1 14084382 XEABQTSFKQCADN-AWEZNQCLSA-N 398.532 4.643 0 40 GJAB Cc1nc(-c2ccc(CCNC(=S)Nc3ccc(F)cc3)s2)cs1 15497004 QTUYLKVPVGTNQA-UHFFFAOYSA-N 377.535 4.848 0 40 GJAB COc1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c(OC)c1 16215544 IPECVQMSZYVOGA-QPJJXVBHSA-N 382.243 4.671 0 40 GJAB O=c1c(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)coc2ccccc12 17281657 QVIQSLYZHSXRLF-PFONDFGASA-N 392.414 4.663 0 40 GJAB O=C(Nc1ccc(NC(=O)N2CCc3ccccc32)cc1)N1CCc2ccccc21 19075287 KLGSCQQPCXEVLA-UHFFFAOYSA-N 398.466 4.876 0 40 GJAB Cc1ccc(C)c([C@@H](NC(=O)CCCN2CCCCCC2)c2ccncc2)c1 19132219 XFYLRCDGTONMDR-DEOSSOPVSA-N 379.548 4.560 0 40 GJAB Cc1cc(C(=O)CCC(=O)OCc2cc(-c3cccs3)on2)c(C)s1 19357317 DSKPBWBDIJTYRZ-UHFFFAOYSA-N 375.471 4.788 0 40 GJAB COc1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc(OC)c1 26531972 FZDRHLRPFPSQEB-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB O=C(Nc1ncc(Cl)cc1Cl)c1ccc(Cn2cc(Cl)cn2)cc1 27969531 JSPHINBAFCUPJX-UHFFFAOYSA-N 381.650 4.539 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(COc3cccc(C)c3)o2)c1 28237107 IOZWXPCKKBFBGR-INIZCTEOSA-N 395.455 4.675 0 40 GJAB O=C(O)CC1(CC(=O)Nc2c(-c3ccccc3)nc3sccn23)CCCCC1 29010735 ZWUDNGNJQZDMPZ-UHFFFAOYSA-N 397.500 4.817 0 40 GJAB O=C(c1sc2ccccc2c1Cl)N1CCO[C@@H](c2ccc(F)cc2)C1 29115139 IOHVMHXCZKAVCP-OAHLLOKOSA-N 375.852 4.908 0 40 GJAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)Nc3cccnc3)c12 29519251 SQTKDAAWWAQHBQ-UHFFFAOYSA-N 398.344 4.864 0 40 GJAB CCN(C(=O)CSc1nnc(-c2cccs2)n1C(C)C)c1ccccc1 32604306 KMHZLFHJVOSDKH-UHFFFAOYSA-N 386.546 4.733 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1CN(C)C(C)C 36392619 IAPPMCMWDUMONP-UHFFFAOYSA-N 399.585 4.950 0 40 GJAB Cc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)cc1Cl 41077043 PGSOIKBQEOEZJG-UHFFFAOYSA-N 383.879 4.932 0 40 GJAB CC(=O)c1ccc(N2CCN([C@@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 54582903 RONLCUUGGRIFMZ-HNNXBMFYSA-N 398.457 4.517 0 40 GJAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c(OC)c1 57315710 WCBPGGNFCALVPJ-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB Cc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487228 SKVKKQSGVCZMCN-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccc(NC(=O)c2ccco2)cc1 58214234 KODXUQKBBPYKQY-UHFFFAOYSA-N 398.422 4.923 0 40 GJAB C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)c1cccnc1 59324934 NQECPEWBDKEMKM-KBPBESRZSA-N 387.940 4.792 0 40 GJAB COc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccccc2)cc1 66088129 LTJRYNOMBCRXMF-QHCPKHFHSA-N 381.435 4.835 0 40 GJAB CC(C)c1nccn1-c1cccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 72378386 PKLQPHKRPPTLEL-UHFFFAOYSA-N 392.478 4.550 0 40 GJAB Cc1ccc2nc(C3CC3)cc(C(=O)Nc3cccc(C[S@](C)=O)c3)c2c1 78974397 RGRVAOLUBALUKP-HHHXNRCGSA-N 378.497 4.551 0 40 GJAB Cc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)n1 79488584 KEHVRACCIKRFSP-OAQYLSRUSA-N 391.515 4.537 0 40 GJAB COc1ccc(-c2nc(C(=O)Nc3cccc4[nH]ccc34)cs2)cc1OC 83960575 CTABDCJKXZODHM-UHFFFAOYSA-N 379.441 4.561 0 40 GJAB Brc1ccc(C2(NCc3cnc([C@H]4CCCO4)s3)CC2)cc1 89783038 VUSQMVBNKYWSDM-OAHLLOKOSA-N 379.323 4.536 0 40 GJAB CC(C)n1c([C@H](C)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)nc2ccccc21 95941369 HGQMZYPPJOJDLH-KBPBESRZSA-N 386.446 4.573 0 40 GJAB Cc1ccc(CNC(=O)c2cc(-c3ccn(C4CCCC4)n3)n3ccccc23)o1 96154743 GTDJJBHEXRRYNO-UHFFFAOYSA-N 388.471 4.749 0 40 GJAB COc1cc2[nH]c3c(N4C[C@]5(C)C[C@@H]4CC(C)(C)C5)ncnc3c2cc1OC 100748739 HQGYCKJNSBGJGT-WHEQGISXSA-N 380.492 4.533 0 40 GJAB CCOc1cc(C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc(OCC)c1OCC 100885985 HSLWCQKFDXILED-HXOBKFHXSA-N 389.536 4.924 0 40 GJAB C[C@]1(c2ccccc2)CC[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2C1 101076245 ZFUNSQLABWWPNS-UEXGIBASSA-N 398.300 4.697 0 40 GJAB CC(C)Oc1ccc(C(=O)NCc2ccc([C@H](O)c3ccsc3)s2)cc1 207965670 XNIMFKKONTVIKU-LJQANCHMSA-N 387.526 4.609 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 223646501 ONFRVHYVKNQJNW-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1 224902849 KWCCQQUSQBPKPE-ZDUSSCGKSA-N 385.335 4.569 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225583184 NRLWJRDBWHQHER-MRXNPFEDSA-N 388.914 4.877 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(OC)CCCCCC2)ccc1OCC(C)C 225806400 FJJVKTYKEOYZLY-UHFFFAOYSA-N 391.508 4.576 0 40 GJAB C[C@H](NC(=O)CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)cc1 225809933 UXYUOSFWWNFHRL-LBPRGKRZSA-N 390.270 4.853 0 40 GJAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)C2CCCC2)CC1 257320765 VYMNSWNPFZYBGM-WKILWMFISA-N 398.572 4.841 0 40 GJAB Cc1cc(C)c(S(=O)(=O)N2c3ccc(Br)cc3C[C@H]2C)c(C)c1 260728348 AMFSIDPDRAVTNB-CQSZACIVSA-N 394.334 4.514 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1Cl 408626906 JHWDENVUGMALOO-UHFFFAOYSA-N 395.915 4.761 0 40 GJAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 408627103 KELNQCXSYOALDC-UHFFFAOYSA-N 376.762 4.625 0 40 GJAB Cc1cc2cc[nH]c2cc1NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 574109728 PCARYXNTUHACKL-XMMPIXPASA-N 388.515 4.606 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 575619129 HCBCJUDOJBNYIK-UHFFFAOYSA-N 381.863 4.801 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)c2ccc(F)c(F)c2)CN1c1cccc(F)c1 1615123914 WELLCNUFPWNLMA-JOCHJYFZSA-N 388.433 4.768 0 40 GJAB Nc1c(C(=O)Nc2ccc(Cl)cn2)sc2nc3c(cc12)CCCCCC3 691652 SBSVNYNYZSTGGO-UHFFFAOYSA-N 386.908 4.838 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nnc(C2CCCC2)s1 1356257 CQRDDDXWKGYVQC-UHFFFAOYSA-N 387.896 4.596 0 40 GJAB CCc1cccc(C)c1N(C(=O)Cn1cnc2cc(C)c(C)cc21)[C@@H](C)COC 1447786 WMHROXSFSBKQDM-IBGZPJMESA-N 393.531 4.592 0 40 GJAB O[C@@H](c1cc(C(F)(F)F)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCCN1 1572960 GBOMJGJESBMUBL-DOMZBBRYSA-N 379.209 4.736 0 40 GJAB in-vitro CCOc1ccc(-c2nc3sc(C)c(C[C@H](C)CC)c3c(=O)[nH]2)cc1OC 3342412 SAUQLXISEMBTCI-GFCCVEGCSA-N 386.517 4.956 0 40 GJAB Cc1cc(C)cc(C(=O)OCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 3401834 LXIMPJYMYPKFLM-ZDUSSCGKSA-N 380.271 4.644 0 40 GJAB O=C(NCCCn1ccnc1)c1ccc(CSc2ccc(Cl)cc2)cc1 3452925 QYAUUKYHJGRDIH-UHFFFAOYSA-N 385.920 4.649 0 40 GJAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)C12CC3CC(CC(C3)C1)C2 4077244 JQJCRBCYHFRVGP-UHFFFAOYSA-N 379.529 4.774 0 40 GJAB Cc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(C)cc4)OC3=O)cc2)cc1 4482325 ZAPMBANQAZJCRY-JCMHNJIXSA-N 397.430 4.867 0 40 GJAB C[C@@H](CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccccc1 4575197 BZKTYZWUZLSIMQ-WDKZXAFLSA-N 393.486 4.682 0 40 GJAB COc1ccc(-c2cn3c(CC(=O)Nc4cccc(C)c4C)csc3n2)cc1 5146869 IFIWPQWRFCHPPQ-UHFFFAOYSA-N 391.496 4.869 0 40 GJAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 6200036 MVGHVTPONJTSTG-QGZVFWFLSA-N 383.662 4.614 0 40 GJAB Cc1ccccc1OCC(=O)Oc1cc(-c2ccccc2)c2oc(=O)sc2c1 6809646 GBMHULQYKGKGLA-UHFFFAOYSA-N 392.432 4.814 0 40 GJAB Cc1cc(NC(=O)c2ccc(CSc3nnc(C)n3C)cc2)ccc1Cl 7234725 HAJBUISXYLRAHB-UHFFFAOYSA-N 386.908 4.630 0 40 GJAB Cc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)sc2c1 7424663 MHYZAOCMXFNXPH-UHFFFAOYSA-N 394.475 4.677 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccccc3OC(F)F)n2)cc1 7641084 WIEIBJKAUFMKSL-UHFFFAOYSA-N 376.384 4.672 0 40 GJAB FC(F)(F)c1nc(NCc2ccccc2CN2CCCC2)c2ccccc2n1 8074506 PLAPGTFBNZDPDX-UHFFFAOYSA-N 386.421 4.857 0 40 GJAB Cc1ccn2cc(C(=O)N(CCc3cccs3)Cc3cccs3)nc2c1 8216139 LBFXUNPLBZQVAK-UHFFFAOYSA-N 381.526 4.651 0 40 GJAB CC(=O)Nc1ccc(OCC(=O)c2cc(C)n(CCc3ccccc3)c2C)cc1 8312183 VFADQRAWPAAXGC-UHFFFAOYSA-N 390.483 4.568 0 40 GJAB O=c1[nH]c(SCc2ncc(-c3ccc(Cl)cc3)o2)nc2sccc12 8749273 NKLGZYGKBRLDAY-UHFFFAOYSA-N 375.862 4.585 0 40 GJAB Fc1ccc(-c2nn3c(CSc4ccccc4)nnc3s2)cc1Cl 8991452 CSZBFFJUFOAHKQ-UHFFFAOYSA-N 376.869 4.938 0 40 GJAB C[C@@H](SCc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F 9911012 UVTCMFXNXYFUEJ-SNVBAGLBSA-N 386.261 4.988 0 40 GJAB O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1nc2ccccc2s1 10383036 ZQBXHXNBZMTBOL-UHFFFAOYSA-N 395.406 4.697 0 40 GJAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(COc2ccc(F)cc2)o1 10876904 SANQLEYQTCZWGN-UHFFFAOYSA-N 398.415 4.644 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 12541402 VNCYXCTYXDUEFR-UHFFFAOYSA-N 377.469 4.643 0 40 GJAB Nc1c(C(=O)NCc2ccco2)sc2nc3c(c(-c4ccco4)c12)CCCC3 12660657 FCQPDOUPGHXEMC-UHFFFAOYSA-N 393.468 4.540 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)N3CCSc4ccc(Cl)cc43)cc2)n1 12974233 YTPYZVCPGNXVFW-UHFFFAOYSA-N 383.904 4.895 0 40 GJAB C[C@@H](SCc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 13012602 LUSFZOMYSZFJPY-OAHLLOKOSA-N 379.481 4.871 0 40 GJAB COc1ccccc1C(=O)NCc1nc2ccccc2n1Cc1cc(C)ccc1C 13030824 PCQZUEHZWLNVPX-UHFFFAOYSA-N 399.494 4.640 0 40 GJAB CCOc1cccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1O 13517270 MBHKVVZEHQUDQV-DHDCSXOGSA-N 375.833 4.685 0 40 GJAB O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H](Cc1ccccc1)c1ccccc1 14169947 OWVFHLONEVSEBI-DEOSSOPVSA-N 381.479 4.515 0 40 GJAB C[C@H](NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1Cl 14774271 TUKNTICRIPRCIU-LBPRGKRZSA-N 389.883 4.892 0 40 GJAB Cc1nc(NCCc2cccc(F)c2)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 19717915 XQLDPXQSXSZGKU-AWEZNQCLSA-N 381.499 4.504 0 40 GJAB COc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OC 20486699 QTELHUMJQSJFMW-UHFFFAOYSA-N 386.300 4.883 0 40 GJAB Cc1c(C(=O)Nc2ccccc2)nnc2c(-c3ccc(F)cc3)c(C(C)C)nn12 20797824 XJUBSGZWBGELSB-UHFFFAOYSA-N 389.434 4.615 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1cc(F)ccc1Br)O[C@@H](C)C2 21837595 PAZZEFKVURAXQU-JTQLQIEISA-N 394.240 4.563 0 40 GJAB Cc1ccc(NC(=O)N2CCN(Cc3csc(-c4ccsc4)n3)CC2)cc1 22327386 ZYGZAKSCRDYARB-UHFFFAOYSA-N 398.557 4.530 0 40 GJAB Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CCCCCC3)CC2)nn1 22493853 UGHBYEJURXZUTO-UHFFFAOYSA-N 392.547 4.507 0 40 GJAB Cc1nnc(COC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)o1 24073825 WQUYUDNKHCXRNY-UHFFFAOYSA-N 393.226 4.621 0 40 GJAB Brc1cccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 27222575 UYISDQCEYGVSMC-HXUWFJFHSA-N 396.332 4.861 0 40 GJAB Cc1cccc(NC(=O)c2c(N)n(C(=O)c3cccs3)c3ccccc23)c1C 28535332 HAFNGWRXXUUFOE-UHFFFAOYSA-N 389.480 4.843 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3cc4c(C)nn(C)c4s3)sc2C)cc1 28970973 IBUCQWRLDQXNMM-UHFFFAOYSA-N 398.513 4.636 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc2c(c1)CCCC2 32594075 JAHLLENDWLAQIS-GOSISDBHSA-N 395.434 4.551 0 40 GJAB COc1ccccc1CN(Cc1cn2cccc(C)c2n1)Cc1cccs1 32751410 LZYBAGZWSAKOQG-UHFFFAOYSA-N 377.513 4.915 0 40 GJAB Cc1ccc(CN(C)C(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)o1 32885609 URFJBGNKTJCHEZ-UHFFFAOYSA-N 381.457 4.742 0 40 GJAB O=C(Cc1coc2cc3c(cc12)CCC3)OCCCC(=O)c1ccc(F)cc1 32957463 LRALCTQWMLAXJD-UHFFFAOYSA-N 380.415 4.809 0 40 GJAB CC(C)c1ccc(NC(=O)CSCc2cc(=O)c3cccc(F)c3[nH]2)cc1 33064191 XWTCTMBSARYROW-UHFFFAOYSA-N 384.476 4.663 0 40 GJAB COc1ccccc1NC(=O)c1sc(=S)n2c1nc(O)c1cc(C)ccc12 33251556 YWHDSTNFZRLEHW-UHFFFAOYSA-N 397.481 4.553 0 40 GJAB COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cn(C)nc4C)[C@@H](O)[C@@]3(C)CC[C@@H]21 36005142 MEPYNTVXLJQGPP-HMXCSLFKSA-N 392.543 4.648 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1[nH]c2ccc(F)cc2c1Cl 44979129 XCSIMNWWEXAJGB-INIZCTEOSA-N 389.858 4.510 0 40 GJAB CCOC(=O)c1c(NCc2ccc(Cl)cc2)c2cccc(Cl)c2[nH]c1=O 49001497 PZEMFSOLORXFJU-UHFFFAOYSA-N 391.254 4.624 0 40 GJAB CCC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 58173969 LRDIBBGVWQKYGZ-GJZGRUSLSA-N 384.467 4.969 0 40 GJAB C[C@@H](c1nnc(S[C@H](C)c2cccnc2)n1-c1ccc(Cl)cc1)N(C)C 59324936 NQECPEWBDKEMKM-UONOGXRCSA-N 387.940 4.792 0 40 GJAB Cc1cc(-c2cnc(NCc3ccccc3F)nc2-c2cccnc2C)on1 72336759 FPWURGPJCDSIND-UHFFFAOYSA-N 375.407 4.562 0 40 GJAB C[C@@H](CCc1ccco1)Nc1ncc(-c2cnccn2)c(-c2cccs2)n1 72338754 DLYSQWWZXPJWPR-AWEZNQCLSA-N 377.473 4.688 0 40 GJAB CCC(C)(C)Nc1c(-c2ccccc2OCc2ccccn2)nc2cnccn12 72342016 UGIUFOSLLQBTOC-UHFFFAOYSA-N 387.487 4.971 0 40 GJAB Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)c1 77200385 NNHBDYKSVSWGKZ-RTBURBONSA-N 385.439 4.816 0 40 GJAB COc1cc(CN(C(=O)c2ccc(SC(F)F)cc2)C2CC2)ccc1O 83923469 DXJYRGGFAFFFCT-UHFFFAOYSA-N 379.428 4.520 0 40 GJAB CCOc1ccc(-c2nc(-c3ccc(Br)cc3)n[nH]2)cc1OCC 85385130 KITZHQRYMHQYHY-UHFFFAOYSA-N 388.265 4.699 0 40 GJAB Cc1ccc2cc(C(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)c(C)nc2c1 89665895 HDOKDJYPWATNLE-PXNSSMCTSA-N 380.513 4.641 0 40 GJAB CSc1ccc(CCC(=O)NCc2cccc(Oc3ccccn3)c2)cc1 96122532 AHFSOPQXJOHIDB-UHFFFAOYSA-N 378.497 4.845 0 40 GJAB Clc1ccc(OCc2cccnc2)c(CNc2ccc3c(c2)OCCO3)c1 97465897 LDWJVYVXNQMHHP-UHFFFAOYSA-N 382.847 4.697 0 40 GJAB Brc1ccc(OCc2ccccc2)c(I)c1 98181444 MODLWAAGRUEXRL-UHFFFAOYSA-N 389.030 4.633 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1cccc(Br)c1 100934257 NKEZPWKLBKGRCC-FPAYPSAMSA-N 398.300 4.631 0 40 GJAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1nnc(SCc2ccc(F)cc2)s1 103026966 SCDCOEAKIUPIBQ-MGPQQGTHSA-N 377.510 4.734 0 40 GJAB COc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 107657745 FUFMNBFBIYRWIC-UHFFFAOYSA-N 380.469 4.699 0 40 GJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCCc2ccccc21 219036622 APGHROQPZZUAEJ-IBGZPJMESA-N 388.511 4.566 0 40 GJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(SC)cc2)cc1C(C)C 223305833 WNVDLLOOFMJRJO-OAHLLOKOSA-N 393.574 4.888 0 40 GJAB Cc1ccc(OCCNC(=O)CSCc2cccc(Cl)c2)cc1Cl 224119337 XGMURTQSTWIGCD-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1OC 224573847 XSDIFUVAZJMATA-UHFFFAOYSA-N 391.467 4.603 0 40 GJAB COC(=O)c1cc2cc(NC(=S)N[C@H](C)c3ccc(F)cc3)ccc2s1 225214236 RBFZPPDLAJXRGQ-LLVKDONJSA-N 388.489 4.875 0 40 GJAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)n2)s1 225399883 AHLODRJDXZKKHD-KRWDZBQOSA-N 398.919 4.846 0 40 GJAB biogenic,in-vitro CCc1ccccc1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225803302 NJHFDIRKCJBZFH-UHFFFAOYSA-N 389.377 4.889 0 40 GJAB Cc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1N 226343832 OGPVWHMMCKWUMY-UHFFFAOYSA-N 381.071 4.646 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 243100124 JATMVSWCAHFHMK-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C(F)F)cc2)nnc1-c1ccccc1 408541734 DDYHROKPUXPOJI-UHFFFAOYSA-N 388.443 4.633 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)CSCc2ccc(OC)cc2)cc1 408577703 QUCHBSTXYDPAFZ-UHFFFAOYSA-N 387.501 4.524 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1C 408626808 INAMLFDOADCVSJ-KRWDZBQOSA-N 381.545 4.809 0 40 GJAB CC1CCN(c2ccc(NC(=S)NC(=O)c3cccs3)cc2Cl)CC1 408628567 UXWZBJQKGWHZTA-UHFFFAOYSA-N 393.965 4.765 0 40 GJAB CCCC(=O)N1CCCC[C@H]1c1nc(-c2ccc(OCC)c(Cl)c2)no1 516347215 PTPFMPOPPPGPPK-HNNXBMFYSA-N 377.872 4.642 0 40 GJAB COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccco1)c1cccs1 585146846 ZQBMFSMAVXGKRK-CYBMUJFWSA-N 376.865 4.957 0 40 GJAB Cc1nc(-c2ccc(NC(=O)[C@@H]3COc4ccc(Cl)cc4C3)cc2)oc1C 614424181 KZRHKJLORQAINW-INIZCTEOSA-N 382.847 4.802 0 40 GJAB Cc1cc(Cl)c(NC(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)cc1Cl 652750737 FJLYWSVQASYZBJ-GUYCJALGSA-N 380.275 4.739 0 40 GJAB COc1ccc(-n2c(SCc3ccccc3C)nc3ccccc3c2=O)cc1 1088224 QNKCCSUIVJTDDC-UHFFFAOYSA-N 388.492 4.995 0 40 GJAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)C(C)(C)C 1355138 VRTYUSVUPMFPIU-UHFFFAOYSA-N 384.451 4.752 0 40 GJAB Fc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@@H]4CCCO4)ncnc32)cc1 1447666 UCZGDKZOAXORRK-IBGZPJMESA-N 388.446 4.818 0 40 GJAB CC(=O)Oc1ccc2c(=O)c(-c3csc(-c4ccccc4)n3)c(C)oc2c1 2087174 KTOJBEXIDAUIRC-UHFFFAOYSA-N 377.421 4.817 0 40 GJAB biogenic Cc1cc(N2COc3ccc4c(C)cc(=O)oc4c3C2)ccc1Br 2120063 DXLCPTFUMIIQOV-UHFFFAOYSA-N 386.245 4.529 0 40 GJAB biogenic COc1cccc2cc(-c3cc(=O)oc4c(C)c(OC(C)C)ccc34)c(=O)oc12 2133535 JVOPIIVWJJHFSI-UHFFFAOYSA-N 392.407 4.671 0 40 GJAB biogenic CCCCCn1c(O)c(C(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc21 2256979 OGLKEWSLKACBIS-UHFFFAOYSA-N 384.863 4.803 0 40 GJAB Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1Cl 2427878 IXWXLPPOVROKCD-UHFFFAOYSA-N 384.814 4.623 0 40 GJAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1cc(Cl)ccc1Cl 2658077 ITLKLKKTSLKOGW-SNVBAGLBSA-N 384.284 4.884 0 40 GJAB Cc1c(OCc2ccccc2)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl 3128602 XZZREVCTZMVRSC-UHFFFAOYSA-N 394.780 4.792 0 40 GJAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1cc(Cl)cc(Cl)c1 3231649 JYSBMVXPEZNBKQ-UHFFFAOYSA-N 376.598 4.581 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=S)N4CCC[C@H](CO)C4)cc3)sc2c1 3321503 LBIUPWMGSIVKIQ-HNNXBMFYSA-N 397.569 4.673 0 40 GJAB c1ccc(CNc2nc(CN3CCCCC3)nc3sc4c(c23)CCCC4)nc1 3446598 DLGNYSILKJGMJU-UHFFFAOYSA-N 393.560 4.563 0 40 GJAB COc1cc(CNc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1 4705216 HLNNIEZSKGIFGS-UHFFFAOYSA-N 376.456 4.633 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4816642 AJRPVOILXHBQOX-RTBURBONSA-N 380.879 4.655 0 40 GJAB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)O)cc3)C2=O)cc1 5174109 WWZNLJJQXCLUSA-HMMYKYKNSA-N 397.430 4.865 0 40 GJAB CC(C)c1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1 5269307 NSFNDKUZQIVCNJ-UHFFFAOYSA-N 380.875 4.926 0 40 GJAB COc1ccc(/C=C2/SC(=S)N(CNc3ccc(C)cc3C)C2=O)cc1 5277170 JRQZUQZTRUFNKY-WOJGMQOQSA-N 384.526 4.583 0 40 GJAB C=C1c2cc3c(cc2CCN1C(=O)c1c(Cl)cccc1Cl)OCCCO3 5427017 ZXYJBTJGWQKWIT-UHFFFAOYSA-N 390.266 4.824 0 40 GJAB Cc1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1 6030678 CHEUABJLCYEBRN-UHFFFAOYSA-N 390.357 4.514 0 40 GJAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccc1OC 6248957 YWAVDTGCXLJULD-UHFFFAOYSA-N 385.416 4.602 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 6269554 CKMVNBYQCJUGGD-UHFFFAOYSA-N 376.840 4.929 0 40 GJAB Fc1cccc(-c2nnn3c2nc(N2CCCCC2)c2cc(Cl)ccc23)c1 7615888 MNHCLZWKVCZSAB-UHFFFAOYSA-N 381.842 4.727 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)c1 8055075 UNDCOBOHCJQZOQ-ZDUSSCGKSA-N 384.545 4.509 0 40 GJAB NC(=O)c1c(NC(=O)c2sc3cc(F)ccc3c2Cl)sc2c1CCC2 8343786 DYWGRHROZBIAHQ-UHFFFAOYSA-N 394.880 4.595 0 40 GJAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2C)n1 8476792 HNJQVPNJAFFNHV-UHFFFAOYSA-N 389.286 4.689 0 40 GJAB Cc1ccc(-c2csc(=O)n2CC(=O)Nc2cc(Cl)ccc2Cl)cc1 8751401 DODYTODXDQMTBR-UHFFFAOYSA-N 393.295 4.831 0 40 GJAB COc1ccccc1OCCCN1CCC(c2nc3ccccc3s2)CC1 8991162 QTWJVMUEHTZNRI-UHFFFAOYSA-N 382.529 4.953 0 40 GJAB Clc1ccc(-c2nnc3sc(-c4ccc5nccnc5c4)nn23)c(Cl)c1 8991499 CIRLOAZHVHRUGE-UHFFFAOYSA-N 399.266 4.770 0 40 GJAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NCCc3cccs3)cc2s1 9531441 ODQMIZCSKYYTKB-UHFFFAOYSA-N 381.526 4.738 0 40 GJAB CC1CCN([C@H](CNC(=O)Nc2ccc(F)cc2F)c2cccs2)CC1 9833938 OBXWQNGFBZCDGR-QGZVFWFLSA-N 379.476 4.621 0 40 GJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cccc(Cl)c1 12226109 URICHRUPLQXAMC-UHFFFAOYSA-N 382.769 4.960 0 40 GJAB CC(C)Sc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2o1 12753096 IWPBKPPBKRZLKX-UHFFFAOYSA-N 382.894 4.783 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(C2SCCS2)c1 12822482 WSYJTLWMPLRWKY-UHFFFAOYSA-N 389.590 4.816 0 40 GJAB Cc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c(Br)c1 12889878 AZIKEDBBPDEZHI-UHFFFAOYSA-N 392.341 4.798 0 40 GJAB O=c1c2ccccc2nc(CSCc2ccccc2)n1-c1ccc(F)cc1 13000284 FYROIVBOMCELSU-UHFFFAOYSA-N 376.456 4.958 0 40 GJAB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1 13635007 AURZZEWHUSZNDV-HXUWFJFHSA-N 393.512 4.999 0 40 GJAB CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 19081715 XLJKFBDXIWDMBR-RBBKRZOGSA-N 397.538 4.869 0 40 GJAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3ccccn3)on2)cc1 19558074 YEGFWZULSJLRRR-HXUWFJFHSA-N 377.444 4.503 0 40 GJAB COCCCN(Cc1ccncc1)Cc1c(C2CCCC2)[nH]c2ncccc12 19593289 CSZCHPBRWGQHMV-UHFFFAOYSA-N 378.520 4.654 0 40 GJAB CCn1ncc(CN2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)c1C 19692031 RTLRNADRQNFLRK-XMMPIXPASA-N 392.522 4.982 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 20144680 UEHUOHQCPJGCQW-MRVPVSSYSA-N 388.634 4.751 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c12 21970466 VFHZFWFPZKBUJZ-UHFFFAOYSA-N 375.472 4.504 0 40 GJAB COc1ccccc1CN[C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1 26439947 BCVSTRYZAONCLL-JWQCQUIFSA-N 386.539 4.843 0 40 GJAB Cc1nc(C)c2c(C)c(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)sc2n1 32754616 QWIVMPPMTWTLAD-UHFFFAOYSA-N 391.500 4.671 0 40 GJAB COc1ccc(CCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 32793788 CDMOYOXGPBHKJF-UHFFFAOYSA-N 384.328 4.594 0 40 GJAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1c2ccccc2C[C@H]1C 32895293 HATJQPUZBMBPED-CYBMUJFWSA-N 382.460 4.761 0 40 GJAB CCCc1ccc(-c2nc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)sc2C)cc1 35897673 ZLHNHDHHBZTYSM-OWSLCNJRSA-N 396.512 4.532 0 40 GJAB COc1ccc2cc(CN(C)[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 37133186 ZIXBKPQLKIAYNQ-IAGOWNOFSA-N 394.490 4.685 0 40 GJAB Cc1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)c(C)o1 42380181 IKTJXYQHXPMISS-AWEZNQCLSA-N 385.464 4.574 0 40 GJAB CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccn1 58003224 HNNFVBKIDKKKOB-UHFFFAOYSA-N 395.334 4.764 0 40 GJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)C2CC2)s1 72277162 ONCNXNQDKIKQTR-ROUUACIJSA-N 382.529 4.895 0 40 GJAB Cc1nc(C(=O)N2CCC(c3cccc(Cc4ccccc4Cl)n3)CC2)co1 72350466 YPHLZYDZVUIOAZ-UHFFFAOYSA-N 395.890 4.642 0 40 GJAB CN(Cc1coc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95356871 NGAGYLHIGIGWBX-RDJZCZTQSA-N 395.311 4.800 0 40 GJAB Cc1cccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1cccc(Cl)c1Cl)C2 100149195 LAUDPYYUXVDWKJ-IAGOWNOFSA-N 391.342 4.817 0 40 GJAB Cc1cccc(N2C(=O)/C(=C\Nc3c(C)cccc3C)c3ccccc3C2=O)n1 102908149 DHRXYRSTJKZCKW-ZHZULCJRSA-N 383.451 4.647 0 40 GJAB COc1ccc2cc(S(=O)(=O)NCCCc3ccc(C(C)C)cc3)ccc2c1 224177463 SSIPWMBTEKSZGP-UHFFFAOYSA-N 397.540 4.883 0 40 GJAB COc1ccc2cc(S(=O)(=O)NCc3ccc(Cl)cc3Cl)ccc2c1 224477709 JJAVYZCHPXAUNY-UHFFFAOYSA-N 396.295 4.634 0 40 GJAB CCOc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1OCC 225059482 UMXJYCXVENKXOD-UHFFFAOYSA-N 393.936 4.801 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(C)c(C)c1 225711745 OLLAZQCTZUNAJO-HXUWFJFHSA-N 381.545 4.868 0 40 GJAB S=C(NCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1Cl 225818524 QXZFGLZRHPPRSW-UHFFFAOYSA-N 379.272 4.530 0 40 GJAB COc1cc(Cl)cc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)c1OC 257318158 VMSPKIXMNWJSDN-GNPVFZCLSA-N 395.927 4.518 0 40 GJAB Cc1cccc(CSCCNC(=O)CSCc2cccc(Cl)c2)c1 408921396 AANPZVXEVOPWBO-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB CCN(CC)C(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408976973 HICZGYUCSPOOEF-UHFFFAOYSA-N 398.470 4.628 0 40 GJAB O=C(NCc1cccc2ccccc12)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585148103 JMYKQXWMMFDVGS-JOCHJYFZSA-N 386.451 4.633 0 40 GJAB COc1ccc(CCC(=O)NCCc2cn(C(C)C)c3ccccc23)cc1OC 604405218 NJTZVVPGCOZWSB-UHFFFAOYSA-N 394.515 4.531 0 40 GJAB biogenic O=C(NCc1cnn2c1CCCC2)c1ccccc1-c1ccc(C(F)(F)F)cc1 1647487851 ANPCBHYGKCSKDE-UHFFFAOYSA-N 399.416 4.835 0 40 GJAB CC(C)Cc1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1CCCC2 1301672 CAHSMISNWQGXDN-CQSZACIVSA-N 396.560 4.908 0 40 GJAB Cc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3Cl)s2)cc1 1379007 GIXKPCSMQGKZIG-UHFFFAOYSA-N 385.876 4.918 0 40 GJAB Cc1ccc(N(C(=O)c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 1467588 CHTHACYHFOIVEY-UHFFFAOYSA-N 399.899 4.993 0 40 GJAB aggregator CCCCCOC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 1781081 WPYWCTLIISIUGR-UHFFFAOYSA-N 375.852 4.705 0 40 GJAB CC(=O)c1cc2c(cc1NC(=O)c1ccccc1Oc1ccccc1)OCO2 2617798 JLYWMEAABOOINZ-UHFFFAOYSA-N 375.380 4.663 0 40 GJAB COc1cc(CC(=O)Oc2ccc3oc4ccccc4c3c2)cc(OC)c1OC 3281577 JDVKNVAUEIFVLM-UHFFFAOYSA-N 392.407 4.760 0 40 GJAB CCOC(=O)c1c(NC(=O)c2c(F)cccc2Cl)sc2c1CCCC2 3310683 HCDZSDTVVJOXFS-UHFFFAOYSA-N 381.856 4.848 0 40 GJAB Cc1ccc(CN2C[C@H](C(=O)Oc3ccc(-c4ccc(C)cc4)cc3)CC2=O)cc1 3346937 DPSYQRKSHOFTEB-HSZRJFAPSA-N 399.490 4.925 0 40 GJAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)NC(=O)N1C 3418841 GMNCNYXRFZSPHJ-KRWDZBQOSA-N 390.270 4.602 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@]12C 3850274 WHQYZHCEDYYAAN-DKNUOXLXSA-N 388.548 4.894 0 40 GJAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2ncccc2c1 4058790 QVFORUMLDRSCDE-FQEVSTJZSA-N 394.272 4.695 0 40 GJAB Cc1ccc(C2=CSc3nnc(-c4ccccc4Br)n3N2)cc1 4280259 ZCGZGUFBOCLHLX-UHFFFAOYSA-N 385.290 4.664 0 40 GJAB Cc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccccc3Cl)C2)cc1 4859969 AXZOVNJNIIUROP-IBGZPJMESA-N 384.863 4.581 0 40 GJAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Nc1cccc(Cl)c1)c1ccccc1 4888260 VKSYYSOIBSDSOS-IHWFROFDSA-N 397.906 4.687 0 40 GJAB Cc1nn2c(-c3ccc(NC(=O)c4ccccc4)cc3)nnc2c2ccccc12 5500037 HAKLDFKQLVJDIH-UHFFFAOYSA-N 379.423 4.505 0 40 GJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)c(OC)c1 6300089 HHQJJPINVCIKAC-VJTSUQJLSA-N 395.543 4.881 0 40 GJAB biogenic CCc1nnc(NC(=O)c2cccnc2Sc2ccccc2Cl)s1 6560580 AYBLFQZVHYWKEQ-UHFFFAOYSA-N 376.894 4.552 0 40 GJAB Cc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 6759372 HKGFYEXNNFEUQS-GOEBONIOSA-N 390.365 4.697 0 40 GJAB O=C(COC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccccc2)cc1 6790572 QMIHHKAOOWHERY-UHFFFAOYSA-N 383.350 4.553 0 40 GJAB COC(=O)c1c(NC(=O)Cc2coc3cc(C)ccc23)sc2c1CCCC2 6809927 YEDMLBWUZMPDDH-UHFFFAOYSA-N 383.469 4.649 0 40 GJAB CCN1C(=O)S[C@@H](Cc2ccc(OCc3ccccc3Cl)cc2)C1=O 6952458 BIYRECHKQHXPPY-KRWDZBQOSA-N 375.877 4.545 0 40 GJAB O=C(COc1cccc(Cl)c1)N[C@@H](c1ccc(F)cc1)c1cccs1 7890708 WUKVODMTBGBQIX-IBGZPJMESA-N 375.852 4.825 0 40 GJAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cnc(Cl)c(Cl)c1 7950864 VETKCEAVGVZWRI-UHFFFAOYSA-N 375.259 4.717 0 40 GJAB CCc1ccc([C@H](NS(=O)(=O)c2cccc(C(C)=O)c2)c2cccs2)cc1 8057999 AENRSHOJFFURFD-NRFANRHFSA-N 399.537 4.581 0 40 GJAB O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8266365 MEAPJUBYENLHIF-QGZVFWFLSA-N 388.496 4.502 0 40 GJAB CC(C)n1ncc2c(C(=O)NCCc3cccs3)cc(-c3ccccc3)nc21 8278368 VLBIAJWSUKEQOI-UHFFFAOYSA-N 390.512 4.713 0 40 GJAB O=C(NCc1cn2ccccc2n1)c1ccccc1SCc1ccsc1 8279332 SXMSCWVHUQUGKG-UHFFFAOYSA-N 379.510 4.618 0 40 GJAB CCCCCn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 8625532 GOQDTQMKHUKQRJ-QGZVFWFLSA-N 377.488 4.756 0 40 GJAB O=C1[C@@H]2[C@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 9425892 BTIQDACSUXCHFU-HODQNMRISA-N 386.278 4.923 0 40 GJAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1OCC 10543991 ZFRHRMUBQPCQER-INIZCTEOSA-N 399.512 4.677 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3ccsc3)n2)c(F)c1 10994301 KMLOAHOFRSQVQV-UHFFFAOYSA-N 389.477 4.540 0 40 GJAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(C(F)(F)F)c1 12232630 JCGOADOYOCFARE-UHFFFAOYSA-N 390.386 4.785 0 40 GJAB COC(=O)c1ccc(C)c(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1 12755315 YGAFMBIOUWRDMG-CYBMUJFWSA-N 376.456 4.640 0 40 GJAB Nc1ccc([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c2c(O)cccc12 12759105 BJVFACOSJUVWNW-GOSISDBHSA-N 390.386 4.536 0 40 GJAB CCc1ccccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2CC 12817139 DFFYESSUEBKEIA-UHFFFAOYSA-N 376.485 4.994 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1F 12865024 WCLIJRDBOYLPEX-NSHDSACASA-N 390.411 4.671 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4[nH]ccc4c3)s2)cc1OC 13692066 KRKLFZCJPDVSFF-UHFFFAOYSA-N 393.468 4.869 0 40 GJAB CCc1ccc(OCc2nn(CC(=O)Nc3cccc(C)c3C)c(=S)o2)cc1 16776937 SRAKIBFFMJWYKR-UHFFFAOYSA-N 397.500 4.603 0 40 GJAB CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(CC3CCCCC3)CC[C@H]21 19086080 KJXGJFAOFUDSRA-DNVJHFABSA-N 386.555 4.678 0 40 GJAB O=C(CCCc1nc(-c2cccs2)no1)Nc1ccccc1C(F)(F)F 20894284 HOGOVOMXSZYGQE-UHFFFAOYSA-N 381.379 4.778 0 40 GJAB O=C(OCCO)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2 21712150 WFYCPDCXYZTDFE-OUKQBFOZSA-N 397.833 4.663 0 40 GJAB COc1ccc2nc(NC(=O)c3ccc(-c4ccccc4)nc3C)sc2c1 22024737 PBAFUVBXHHZKTI-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB c1ccc2sc([C@@H]3CCCN(Cc4nc(-c5ccsc5)no4)C3)nc2c1 24601474 XNRAXKFSESFHDJ-CYBMUJFWSA-N 382.514 4.787 0 40 GJAB Brc1ccccc1CN[C@H]1CCCc2c1cnn2Cc1ccccc1 27222715 DIYQANJPRNOVGW-FQEVSTJZSA-N 396.332 4.861 0 40 GJAB CC(C)N(C(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1)C(C)C 27971858 PEDXOMJFFBHVSJ-UHFFFAOYSA-N 377.488 4.846 0 40 GJAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2ccc(C(F)(F)F)cn2)c(C)c1 29584978 RDCGQWWZVCYARY-LBPRGKRZSA-N 397.422 4.546 0 40 GJAB COc1ccccc1CN(C)C(=O)CSCc1ccc(Cl)c(Cl)c1 30849458 FLONHYPJTUCMTR-UHFFFAOYSA-N 384.328 4.894 0 40 GJAB O=C(c1ccccc1Oc1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 31176834 SYFLWVRJVRFTST-JOCHJYFZSA-N 377.415 4.832 0 40 GJAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc2c(c1)CCO2 32795901 UHZUTYGWQPXZBX-OAQYLSRUSA-N 382.463 4.665 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 35292723 SJJYNMSRRBDJBZ-LSBZLQRGSA-N 396.911 4.574 0 40 GJAB COc1ccc([C@@H](NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)C2CC2)cc1 35317031 GBSAEAPJFRMJDK-FQEVSTJZSA-N 393.874 4.687 0 40 GJAB Cc1cc(C)nc(Sc2ccc(NC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)cc2)n1 40039501 WVILZIYAMMRNBF-SJPCQFCGSA-N 395.528 4.579 0 40 GJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C)c(Cl)c1 41077056 JIWNPHFEVLXXMX-UHFFFAOYSA-N 383.879 4.934 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccccc1Cl 44847864 OCIPINOGQNDMJL-LJQANCHMSA-N 393.936 4.556 0 40 GJAB CC(C)C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 44936789 HQUZGCIFWTXAGL-JTHBVZDNSA-N 382.523 4.941 0 40 GJAB O=C(CCc1ccsc1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 48300059 CLJARUUKTPGISX-UHFFFAOYSA-N 381.453 4.627 0 40 GJAB Cc1cccc(N(Cc2ccccc2)C(=O)CN2CCC[C@@H]2c2cc(C)no2)c1 48324632 YTGLUNIHEVXBOQ-JOCHJYFZSA-N 389.499 4.662 0 40 GJAB Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cnc(Cl)c(Cl)c1 58391370 XUJORSIEXFLMCB-UHFFFAOYSA-N 391.283 4.890 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)COc1ccc(F)cc1 90593130 HDTYKSCPEYJPOR-UHFFFAOYSA-N 390.867 4.606 0 40 GJAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)c(F)c1 95067904 GHZUVGYDWIVMHO-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)Nc1ccc(Cl)cc1F 98211338 UHACBGSZBZFNGP-UHFFFAOYSA-N 396.809 4.636 0 40 GJAB O=c1[nH]c2c(s1)[C@H](c1ccc(Br)cc1)[C@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 101083544 SQFALPKIUAOVMZ-SFYZRTLMSA-N 394.359 4.851 0 40 GJAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)OC(C)(C)C)(C4)C2)C3)cc1 102254192 FMUSQVHSDDPLTE-RDNZODCXSA-N 384.516 4.718 0 40 GJAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Br)c1)[C@H]1C=C[C@H]2C1=C1CCCCC1 102706622 NKEZPWKLBKGRCC-CAMMJAKZSA-N 398.300 4.631 0 40 GJAB CC1CCN([C@@H](C(=O)Nc2nnc(C3CCCCC3)s2)c2ccccc2)CC1 141594084 BYHQVWCQUZVKCC-LJQANCHMSA-N 398.576 4.998 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)N(Cc1cccs1)C1CCOCC1 207962490 BPPPCGMPROHMGU-UHFFFAOYSA-N 384.423 4.980 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(Br)cc1Cl 218944216 SIWDULUILCPKMA-CYBMUJFWSA-N 396.712 4.619 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C(C)C 223254016 LNDCBECXCRRUEX-MRXNPFEDSA-N 387.545 4.655 0 40 GJAB CCC1(CC)C[C@H](NS(=O)(=O)Cc2ccccc2Cl)c2ccccc2O1 224005726 BQKMRYAFDRAUKX-SFHVURJKSA-N 393.936 4.842 0 40 GJAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1cc(C)cc(C)c1 224530294 WLCIBIHTRWMSDT-UHFFFAOYSA-N 379.456 4.804 0 40 GJAB O=C(NC1CCCCCCC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225584714 OHTAHZYGSIETGZ-UHFFFAOYSA-N 380.935 4.920 0 40 GJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225693581 QFZTUPYGHLVHMF-CVDCTZTESA-N 390.568 4.864 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1C 225796857 VISZISWEEOLJEN-HSZRJFAPSA-N 395.524 4.688 0 40 GJAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NCc1ccc(Cl)cc1 225827313 WCEJBTBOKBYLBW-UHFFFAOYSA-N 391.858 4.792 0 40 GJAB CC(C)Cn1cnc2c1C1(CCN(Cc3ccoc3)CC1)Oc1ccccc1-2 306136836 QERIRKSRHSOPND-UHFFFAOYSA-N 377.488 4.683 0 40 GJAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccccc2C)c1 408697568 HXRQXGJLCDOHRM-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB c1ccc(-c2cnc(Nc3cccc(C[C@H]4CC[C@@H]5CNC[C@@H]54)n3)s2)cc1 585263023 HRTWCCAAJWHSCV-ZHALLVOQSA-N 376.529 4.737 0 40 GJAB CN(CC1=CCCOC1)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 666862664 KFSOEEKABMDUGJ-UHFFFAOYSA-N 392.286 4.866 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1C 637470 FDYILRSDICIQFG-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB Cc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3cccc(Cl)c3)s2)cc1 1378983 RFXFJZLFQFKLBQ-UHFFFAOYSA-N 385.876 4.918 0 40 GJAB c1coc(-c2nc3sc4c(N5CCCC5)ncnc4c3c3c2CCCC3)c1 2288248 VZMKQRHDABMGFV-UHFFFAOYSA-N 376.485 4.979 0 40 GJAB Cc1ccc(CSc2nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o2)cc1 2376030 VAVPTWNEVASLAL-HNNXBMFYSA-N 377.510 4.892 0 40 GJAB COc1ccc2c(CC(=O)Nc3ccc4nc(SC)sc4c3)coc2c1 2618208 KOHOTXSCLWJJEL-UHFFFAOYSA-N 384.482 4.954 0 40 GJAB CC(=O)c1cccc(OCC(=O)NCCC(c2ccccc2)c2ccccc2)c1 2626574 PSWRLNMPHCDOAK-UHFFFAOYSA-N 387.479 4.606 0 40 GJAB CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@H](C)C3)sc(C)c1C 2708140 BOIKPIAMYZMNJU-JTQLQIEISA-N 377.531 4.980 0 40 GJAB CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1CC[C@H](C)C2 3289559 VSFXEEPGSHCOPP-NSHDSACASA-N 392.521 4.998 0 40 GJAB Cc1ccccc1NC(=O)[C@]1(c2cccs2)CC(=O)N1c1ccc(Cl)cc1 5451052 DYMNPEGTAJFVBD-OAQYLSRUSA-N 396.899 4.981 0 40 GJAB COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 5563016 HDXJSULLFXAEMT-UHFFFAOYSA-N 395.768 4.779 0 40 GJAB COc1cccc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)c1 6259033 PDPQJFPJVLTAAE-UHFFFAOYSA-N 387.511 4.889 0 40 GJAB COc1cc(CC(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1OC 6307117 QFBRXQNNDXZQKT-UHFFFAOYSA-N 393.439 4.686 0 40 GJAB COc1ccc(OC)c(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 6940773 BOTLGBQKYVFPJY-UHFFFAOYSA-N 377.444 4.506 0 40 GJAB CCc1nnc(S/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C(=O)O)[nH]1 7342510 WQBKXKSJLJQCNS-UVTDQMKNSA-N 387.486 4.638 0 40 GJAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(OCc2ccccc2)cc1 7601467 CPUDKUVRECHSOZ-UHFFFAOYSA-N 388.496 4.930 0 40 GJAB CCOc1ccc2oc(C(=O)OCc3cc(C(C)=O)ccc3OC)c(C)c2c1 7779956 OJLSVVPTUXPXGX-UHFFFAOYSA-N 382.412 4.708 0 40 GJAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8366803 CBRVDGDNWKYNFL-SFHVURJKSA-N 392.480 4.559 0 40 GJAB COCCOC(=O)c1c(C)n(-c2cccc(C)c2)c2c1cc(O)c1ccccc12 8783011 OCRVGLBOBQCBCG-UHFFFAOYSA-N 389.451 4.909 0 40 GJAB biogenic,in-vitro Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccco3)o2)c1 8844582 MQQOQOHVGIJCNO-UHFFFAOYSA-N 394.452 4.688 0 40 GJAB C[C@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1 8987591 NBDUAKUJJBBMGA-SFHVURJKSA-N 387.483 4.743 0 40 GJAB CSCC[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1nc2ccccc2[nH]1 12506854 GBYNZLOKBRKTEY-HNAYVOBHSA-N 399.585 4.963 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 12793086 KUDWUQRXASCUMA-YJBOKZPZSA-N 396.512 4.687 0 40 GJAB Cc1occc1C(=O)NCCCCOc1ccc(OCc2ccccc2)cc1 12800405 NSGIOPOAVGELQV-UHFFFAOYSA-N 379.456 4.756 0 40 GJAB CN(Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)Cc1ccccc1Cl 12803685 FMFFDSJJKHKGBL-UHFFFAOYSA-N 395.915 4.937 0 40 GJAB O=C(NC[C@H]1CCCO1)c1sc2cccc(F)c2c1COc1ccccc1 12932415 QUPVDQJIMLSABY-OAHLLOKOSA-N 385.460 4.528 0 40 GJAB O=C(O)c1cc(-c2ccc(-c3ccc(F)cc3)o2)nc2cc3c(cc12)OCCO3 12941599 GRVCIFVIWSDZBU-UHFFFAOYSA-N 391.354 4.770 0 40 GJAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccco2)c(C)c1 13750265 IBMQNNCMQLUJLX-UHFFFAOYSA-N 386.451 4.893 0 40 GJAB Cc1cc(OC(=O)c2ccc(CS(C)(=O)=O)cc2)c(C(C)C)cc1Cl 14785439 XLQKLJINSSEIOB-UHFFFAOYSA-N 380.893 4.536 0 40 GJAB COc1cc(CN[C@H](Cc2ccsc2)c2nc(C)c(C)s2)cc(OC)c1 19559856 WXANWRUZVMSZNJ-LJQANCHMSA-N 388.558 4.912 0 40 GJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Br)c(C)c1 20048173 SCVRTAOOZDAVIZ-ZDUSSCGKSA-N 396.712 4.976 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cc(C)ccc1C 20457751 AZFRXBKOWLYDFB-FQEVSTJZSA-N 382.504 4.629 0 40 GJAB CCn1nc(C(=O)Nc2ccccc2SC2CCCC2)c2ccccc2c1=O 25265178 HRQKWBMVDSSBOF-UHFFFAOYSA-N 393.512 4.703 0 40 GJAB Cc1cccc(N2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)c1C 28994959 OJWJVHLAQBMBQA-UHFFFAOYSA-N 391.342 4.892 0 40 GJAB CC(=O)Nc1cccc(-n2c(S[C@H](C)c3ccccc3)nnc2C2CC2)c1 32801732 KUOUTAUODCOTST-CQSZACIVSA-N 378.501 4.956 0 40 GJAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccccc1Cl 33627960 HGGHCVZSBQLXCB-UHFFFAOYSA-N 394.327 4.720 0 40 GJAB CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)c(C)s1 35315326 WSHBDCJHAARFMV-UHFFFAOYSA-N 383.517 4.546 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](NCCc1cccs1)c1ccccc1 36386864 BOPGUXQHSNYXLS-OAQYLSRUSA-N 380.513 4.577 0 40 GJAB CCOc1ccc(-c2csc(-c3nnn(-c4ccc(Cl)cc4)c3N)n2)cc1 38486790 OWHJNLRGMRTKPX-UHFFFAOYSA-N 397.891 4.692 0 40 GJAB Cc1ccc(Oc2ccc(N(C)C(=O)c3ccccc3C(F)(F)F)cc2)nn1 44213775 GUIPEDGQSPWWJI-UHFFFAOYSA-N 387.361 4.873 0 40 GJAB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1csc(-c2ccccn2)n1 44252782 OSISITZQFWEOMG-LSCVHKIXSA-N 391.496 4.718 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 44933872 UIEFKIYGYCXTTQ-RBUKOAKNSA-N 380.532 4.808 0 40 GJAB CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(OC)cc1 44936478 SQEYHTYWVMSQQD-HSZRJFAPSA-N 380.532 4.808 0 40 GJAB Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C)cc(-c2ccncc2)n1 49007189 YKJDAPSPRZZLBC-UHFFFAOYSA-N 384.892 4.540 0 40 GJAB Cc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 67292741 OEQXVGYGKXOELG-JUZPYSENSA-N 396.874 4.536 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)NCc3cccc(OCC)c3)[nH]n2)cc1 72331550 WIGRCDSGVMKEPD-UHFFFAOYSA-N 393.487 4.584 0 40 GJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2c(F)cccc2Cl)C1 77200122 GBCQQOPZAJTTKW-CABCVRRESA-N 390.842 4.769 0 40 GJAB O=C(c1cnc2ccc(F)cc2c1NCc1cc(F)cc(F)c1)N1CCCCC1 95471184 YYVXDWSHXVFGTG-UHFFFAOYSA-N 399.416 4.890 0 40 GJAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@H]2c2ccc(F)cc2)CCC1 102641248 SLEZNPUFOXUMPK-SFHVURJKSA-N 375.403 4.931 0 40 GJAB FC1(COc2ccc(Cc3cc(Br)ccc3Cl)cc2)COC1 169748339 CXJASDOLOBAUIH-UHFFFAOYSA-N 385.660 4.811 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc2ccc(Cl)cc2n1 176897702 VXTYHTWJDOXPKZ-UHFFFAOYSA-N 376.847 4.943 0 40 GJAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc2noc(-c3ccccc3)c2c1 206762279 LQHLMTVWECGOKO-JWTNVVGKSA-N 378.497 4.993 0 40 GJAB O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccc(F)cc2)CC1 222800661 NQOKXZKNWCDUOU-UHFFFAOYSA-N 376.475 4.507 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 222930289 NFJYNDWBYFEHSO-VGOFRKELSA-N 399.531 4.734 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 223705382 WMZJPOBYCIGTFX-QHCPKHFHSA-N 394.559 4.651 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)NCC2CCCCC2)c(Br)c1 224253881 ZKWMSVBBXQSUBR-UHFFFAOYSA-N 382.342 4.822 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)[nH]1 224258142 QSTWWBXKZXKYAE-NHCUHLMSSA-N 376.529 4.820 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224619363 OIOSAPAVHCIRIN-CABCVRRESA-N 391.895 4.619 0 40 GJAB CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224711438 GEZXQJJBSLPUIO-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COCc1ccccc1 224754082 GAMMBGBGXCLZJV-UHFFFAOYSA-N 393.458 4.871 0 40 GJAB CC(C)Sc1nnc(NC(=O)c2ccc(CN3CCCCCC3)cc2)s1 224767193 LTBHLODGPDAUPY-UHFFFAOYSA-N 390.578 4.667 0 40 GJAB COC1CN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)C1 244998637 KNKJPVAGJMSAHI-UHFFFAOYSA-N 376.431 4.580 0 40 GJAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)c2ccc(O)cc2)CO[C@H]1c1cccc(F)c1 257232492 GLBXCPFSXYKSHE-FIXSFTCYSA-N 397.490 4.940 0 40 GJAB O=C(COc1ccccc1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257323839 WMAOHSIRAAUMQH-HXUWFJFHSA-N 396.874 4.661 0 40 GJAB COC(=O)c1ccc(Nc2nc3c(s2)CCc2cc(OC)c(C)cc2-3)cc1 408896106 MWNRXEPMEILDRS-UHFFFAOYSA-N 380.469 4.756 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409360556 QWOKBOMDUCQVGN-SPYBWZPUSA-N 382.426 4.602 0 40 GJAB O=C(c1ccnc(F)c1)N1CCC2(CCc3cc(-c4ccoc4)ccc32)CC1 585105643 PXJPDBFTNFTWOE-UHFFFAOYSA-N 376.431 4.601 0 40 GJAB CC(C)CNc1ccc2c(c1)CNCCCCCCCN2C(=O)c1cccnc1 643574344 QVVQZRBREZITBA-UHFFFAOYSA-N 394.563 4.850 0 40 GJAB C[C@H](NC(=O)N[C@@H]1CCCCc2cc(Br)ccc21)c1cscn1 661639962 WVJDERCSGFQVCX-XHDPSFHLSA-N 394.338 4.734 0 40 GJAB CCOc1ccccc1OCC(=O)Oc1ccc(C(=O)c2ccccc2)cc1C 959367 RVOQHUPBPKROOS-UHFFFAOYSA-N 390.435 4.609 0 40 GJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CC[C@H](C)C2 1930385 AUPVADIDDHYDDH-HJTPGIPUSA-N 387.476 4.841 0 40 GJAB Cc1ccc(CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)cc1 2719967 MXRUAYADGDZRIC-UHFFFAOYSA-N 384.501 4.621 0 40 GJAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccco1 3277962 FWBYQOZCKOZSHC-UHFFFAOYSA-N 396.855 4.607 0 40 GJAB aggregator Cc1cc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)c2ccccc2n1 3303096 HMMMATFAUHGQCJ-UHFFFAOYSA-N 376.456 4.636 0 40 GJAB O=C(/C=C/c1ccccc1Cl)OCC(=O)c1ccc(Br)cc1 3328663 JIAYNCXYEDPAMK-JXMROGBWSA-N 379.637 4.542 0 40 GJAB Cc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2ccncc2)cc1C 4491093 HNDAABHKASQCNL-IBGZPJMESA-N 378.501 4.550 0 40 GJAB CCN(CC)CCN(C(=O)c1ccccc1Cl)c1nc2ccccc2s1 4585301 IJOLPKVKCXNZHE-UHFFFAOYSA-N 387.936 4.938 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)no2)cc1OC 4880891 PJCCFAJLCWHDEJ-UHFFFAOYSA-N 393.226 4.918 0 40 GJAB COc1ccc(C)cc1NC(=O)c1cccc(-c2ccc(OC(C)=O)cc2)c1 4980023 KRIKDHLBRRUAMR-UHFFFAOYSA-N 375.424 4.848 0 40 GJAB CCOc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2N)cc1 5100986 HUENEOOLIFSULT-UHFFFAOYSA-N 395.315 4.657 0 40 GJAB CN(C)c1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 5165616 KKLFEPLGOVYMBN-UHFFFAOYSA-N 397.283 4.547 0 40 GJAB COc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1Cl 5995956 JBQWFZIFIUBSHD-UHFFFAOYSA-N 382.272 4.609 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OCC 6309295 JYWKZQSNGARYED-CQSZACIVSA-N 395.421 4.923 0 40 GJAB O=C(CCCOc1ccc(Br)cc1)Nc1cccc2ncccc12 6322688 FEBXYDPUPJLTAC-UHFFFAOYSA-N 385.261 4.795 0 40 GJAB COc1ccc(NC2=NN=C(c3cc(C)n(Cc4ccco4)c3C)CS2)cc1 6545730 WNZZMVBROWRQEX-UHFFFAOYSA-N 394.500 4.674 0 40 GJAB Cc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1 6844979 CMXAMSSSBNLFDM-UHFFFAOYSA-N 387.435 4.595 0 40 GJAB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4cccs4)o3)cc2C1 7131770 HHNFJUPGLXUOOB-SNVBAGLBSA-N 376.528 4.959 0 40 GJAB COc1c(Br)cc(Br)cc1CNCc1ccc(C)cc1 7538162 BUCLQGYTWKECFC-UHFFFAOYSA-N 399.126 4.818 0 40 GJAB O=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccccc1Cl 7573211 NTNGHXLIIIFREK-UHFFFAOYSA-N 378.863 4.650 0 40 GJAB C[C@H]1C[C@H](Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)C(=O)O1 8274736 HQXTVUMOUYUCEL-NHYWBVRUSA-N 377.897 4.510 0 40 GJAB Cc1ccc(F)cc1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 10236836 SPUYXVHCUANTCY-UHFFFAOYSA-N 383.423 4.831 0 40 GJAB CC(C)c1ccc(CCC(=O)Nc2ccc(I)cc2)cc1 10433812 HCHGNAWMFOCRRU-UHFFFAOYSA-N 393.268 4.986 0 40 GJAB O=C(c1cccc(Cl)c1)N1CCc2[nH]c3c(Br)cccc3c2C1 12391854 NCCUUYJBSJWXSY-UHFFFAOYSA-N 389.680 4.782 0 40 GJAB Cc1nc(-c2cc3ccc(OC(=O)c4cccc(F)c4)cc3oc2=O)cs1 12408671 PJLNGKYKSIDANR-UHFFFAOYSA-N 381.384 4.583 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCC(C)CC2)cc1 12437832 QDNKBEYSAUABFI-UHFFFAOYSA-N 394.540 4.921 0 40 GJAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)N[C@@H](C)c3ccccc3)ccc2c1 12768321 CIDOGYBHEOKVBE-ROUUACIJSA-N 376.500 4.546 0 40 GJAB O=C(CCSc1nc(C(F)(F)F)nc2ccccc12)Nc1ccccc1F 12799648 VXGPCWVSLWCJSX-UHFFFAOYSA-N 395.381 4.909 0 40 GJAB C[C@H]1CCc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 12872938 MAVRVZCDVKCMNM-SFHVURJKSA-N 394.478 4.916 0 40 GJAB COc1ccc(CN(Cc2ccncc2)Cc2ccc(F)c(F)c2)c(OC)c1 13989856 CVGMNJWYBTXZHA-UHFFFAOYSA-N 384.426 4.579 0 40 GJAB CCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 14256139 CONFLFQSPINXNB-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB COc1cc(OC)c(Nc2cc(C)nc3nc(-c4ccccc4)nn23)cc1Cl 15780409 KINQHGWEXANZDU-UHFFFAOYSA-N 395.850 4.514 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 15859682 BMZWABXGULLPOH-SFHVURJKSA-N 399.878 4.545 0 40 GJAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCCC(=O)O)c1 16684655 HWYQBZNYKPVORB-UHFFFAOYSA-N 397.349 4.700 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)cc1 20041880 WLHIRLLANDEPTB-SFHVURJKSA-N 381.900 4.686 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1cccc(OC)c1 20106429 OZOHFCUHVSELCU-IBGZPJMESA-N 377.937 4.968 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCCC2)cc1 20381366 GQUZACZGDZQKHC-UHFFFAOYSA-N 386.904 4.630 0 40 GJAB C[C@@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1 21805957 YVHDVDWLSLMOTR-SNVBAGLBSA-N 384.427 4.600 0 40 GJAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccco1 21903078 LZKCHMWKDNUBOL-QFIPXVFZSA-N 385.467 4.528 0 40 GJAB CCN1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1 23153866 OGPXDWIJNNKVKH-UHFFFAOYSA-N 383.542 4.751 0 40 GJAB CCc1nnsc1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 24539364 AUZSXXRJQPHIPN-UHFFFAOYSA-N 389.427 4.545 0 40 GJAB C[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c2ccccc2S1 24584831 CRUVAIRCCBPSNP-STQMWFEESA-N 384.526 4.650 0 40 GJAB Cc1ccsc1CN(Cc1ccco1)C(=O)c1cc(=O)c2cc(F)ccc2o1 27989380 ZFPXIOQJAGXPAE-UHFFFAOYSA-N 397.427 4.738 0 40 GJAB O=C1CN(C(=O)c2ccccc2)[C@@H](c2ccccc2)c2ccc(Cl)cc2N1 28048002 PEFSDAQKMNMEPG-NRFANRHFSA-N 376.843 4.524 0 40 GJAB O=C(CCC(=O)c1ccccc1)Nc1ccc(-c2cn3ccsc3n2)cc1 29794568 VJVHXXRVTRBRRP-UHFFFAOYSA-N 375.453 4.664 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(Br)o2)cc1 32505270 GJUODYXWYIFFAQ-UHFFFAOYSA-N 399.288 4.842 0 40 GJAB O=C(c1ccccc1SC(F)F)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 32899609 QHHMUOPWUCGXFI-CYBMUJFWSA-N 387.455 4.897 0 40 GJAB O=C(COc1ccccc1-c1noc(-c2ccccc2F)n1)Nc1ccccc1 33324942 UBWSRYUDHRNNQF-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 34366921 CPZAAQIZPWFUCI-VNZDRWMPSA-N 388.467 4.674 0 40 GJAB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3c(F)cccc3Cl)S2)cc1 35648177 CBUGYAJBLINKGQ-CXUHLZMHSA-N 389.839 4.520 0 40 GJAB COc1cccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccc(F)cc2)c1 40485453 PEHJPKHNSGXTIB-QFIPXVFZSA-N 389.426 4.887 0 40 GJAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1Cl 57224429 FMNKEYWBYQSVFU-UHFFFAOYSA-N 377.843 4.565 0 40 GJAB COc1ccc2c(c1)S[C@H](CC(=O)Nc1ccccc1C(F)(F)F)C(O)=N2 61719603 AUDPANAQOPVUPU-OAHLLOKOSA-N 396.390 4.805 0 40 GJAB CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 95995669 XCMCPYXKOTVVCL-UHFFFAOYSA-N 397.544 4.979 0 40 GJAB O=C(c1cc(-c2ccco2)on1)N1CCS[C@H](c2ccccc2Cl)CC1 211145846 MEHAWOMJMSDMRE-SFHVURJKSA-N 388.876 4.908 0 40 GJAB Cc1cc(OCC(=O)NCCCc2ccc(OC(C)C)cc2)cc(C)c1Cl 218924040 PGRCXYAOMXNXST-UHFFFAOYSA-N 389.923 4.872 0 40 GJAB O=C(NCCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 219415105 JTZUIFCNKVVIJM-UHFFFAOYSA-N 391.342 4.564 0 40 GJAB C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 222700175 HAXXTPYKIBKGOQ-QGZVFWFLSA-N 389.451 4.528 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223063478 BUICJVUHFURORI-AWEZNQCLSA-N 391.855 4.794 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 223903072 AOSBLCIKZADGRL-QGZVFWFLSA-N 384.951 4.992 0 40 GJAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(N2CCCC2)cc1 224899208 BKSXIPAVTZRFNQ-UHFFFAOYSA-N 378.900 4.951 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225622929 JJYISHUFBGRJHJ-AUSIDOKSSA-N 390.568 4.721 0 40 GJAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccnc1-c1ccsc1 225647582 UOKXZFAZCPWGTG-UHFFFAOYSA-N 376.403 4.688 0 40 GJAB COc1ccc2cc(C(=O)NCC3(c4ccc([C@@H](C)O)s4)CCCC3)[nH]c2c1 225682655 BCSSWWLVNSNVDB-CQSZACIVSA-N 398.528 4.533 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1 225792448 FYFGMFJSLRXGPQ-UHFFFAOYSA-N 389.455 4.661 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225842078 NGHALDUVHRGCMO-QVKFZJNVSA-N 379.497 4.574 0 40 GJAB COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccc(Cl)cc1 226288082 HQAIVWYHBDZSRF-UHFFFAOYSA-N 392.842 4.761 0 40 GJAB O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)ccc1Cl)[C@@H]1C[C@@H](c3ccccc3)[C@H]2C1 226395809 BTIQDACSUXCHFU-OUYBGJKKSA-N 386.278 4.923 0 40 GJAB CC(C)Cn1nc(-c2ccc(F)cc2OCC(=O)O)cc1-c1ccc(F)cc1 257319812 VUEBEMLRMNXCJM-UHFFFAOYSA-N 386.398 4.615 0 40 GJAB Cc1cc(OCC(=O)Nc2ccccc2-c2cn3c(n2)SCC3)ccc1Cl 390825785 BOUNVDMBSTZSBK-UHFFFAOYSA-N 399.903 4.635 0 40 GJAB FC(F)(F)Oc1ccccc1[C@H]1C[C@H]1c1nc(-c2ccc3nc[nH]c3c2)no1 545752295 HTFOZAYVZQFDNC-CHWSQXEVSA-N 386.333 4.783 0 40 GJAB Cc1ccc(C(F)(F)F)c(NC(=O)N2CC[C@]3(C2)OCc2ccccc23)c1 667940781 OLZYBCHWJPZWLG-LJQANCHMSA-N 376.378 4.677 0 40 GJAB C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 1675481769 RBXGSQZERAYESD-RHSMWYFYSA-N 379.932 4.573 0 40 GJAB Cc1ccccc1C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 683231 WGMCOHYYWNSAJP-UHFFFAOYSA-N 392.886 4.873 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1 1364555 MRSGZBQHYLAUEG-UHFFFAOYSA-N 392.528 4.551 0 40 GJAB O=c1c2cc(-c3ccccc3)sc2nnn1Cc1c(Cl)cccc1Cl 1785056 MZUCYDQBLCUGHH-UHFFFAOYSA-N 388.279 4.875 0 40 GJAB COc1cccc([C@@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)c1OC 3120626 HSKMFDCQHIEQDI-ZEQRLZLVSA-N 390.435 4.606 0 40 GJAB COc1cc(OC)cc([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)c1 3120634 PVHVXVBAVHTRQZ-DNQXCXABSA-N 390.435 4.606 0 40 GJAB Cc1ccc(C(=O)[C@H](OC(=O)c2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1 3295682 UJAUCXBCQVXFDI-HSZRJFAPSA-N 388.419 4.813 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccccc3)n2)c1 3359140 ICMCJKMFUQYCEE-UHFFFAOYSA-N 386.498 4.558 0 40 GJAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1ccc(C(C)=O)cc1 4849389 BVYDJGIOEKJTFW-UHFFFAOYSA-N 394.496 4.739 0 40 GJAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1 4854498 IBGDNOLYMMXLPK-QFIPXVFZSA-N 375.472 4.751 0 40 GJAB Cc1cccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)c1 5237461 HIJHTDSPKANCOW-UHFFFAOYSA-N 381.435 4.665 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)CC(C)(C)C)ccc2C)c(C)c1 5882737 ZFCPFIYSMAGNRH-UHFFFAOYSA-N 388.533 4.787 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 6220204 LIMXSFRZZXDERK-UHFFFAOYSA-N 378.042 4.877 0 40 GJAB CC(C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 6345875 YJGANGXVUCAOOJ-MHWRWJLKSA-N 391.254 4.878 0 40 GJAB Cc1cc(C)c2oc(C(=O)N3CCC(Cc4ccccc4)CC3)cc(=O)c2c1 6811334 ATCUNAZEEOYCSD-UHFFFAOYSA-N 375.468 4.505 0 40 GJAB Cc1ccc(OCc2nn3c(CSc4ccccc4)nnc3s2)cc1C 8393220 PXGPYZOLQRDQKG-UHFFFAOYSA-N 382.514 4.674 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N2CCc3ccccc32)c2c(C)c(C)sc2n1 8394839 YFIOFLYDQDZMJZ-CYBMUJFWSA-N 383.542 4.686 0 40 GJAB Cn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc2ccccc21 8719120 HBDUTGNFLRCIGQ-UHFFFAOYSA-N 399.825 4.976 0 40 GJAB Cc1ccccc1CSCCNC(=O)C1CCN(Cc2ccccc2C)CC1 9062918 RUTMUSBVTDNLCG-UHFFFAOYSA-N 396.600 4.565 0 40 GJAB Cc1cccc(NC(=O)Nc2nc(C(=O)N[C@H](C)c3ccccc3)cs2)c1 9318521 NMTQXEMBLCNIKZ-CQSZACIVSA-N 380.473 4.587 0 40 GJAB CC(C)n1ncc2c(C(=O)Nc3ccc(N4CCCC4)cc3)cc(C3CC3)nc21 9512285 QGPUHEJSTZNJTB-UHFFFAOYSA-N 389.503 4.742 0 40 GJAB CCc1ccccc1NC(=S)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 9720346 YJXGTTZGEXDWFW-NSHDSACASA-N 397.327 4.836 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc2c(c1)CCC2 10922393 PEMUYOSVTYQAAB-UHFFFAOYSA-N 383.854 4.773 0 40 GJAB Cc1ccc(C)c(OCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 12538750 QSWGGASHDVKIDI-UHFFFAOYSA-N 377.469 4.697 0 40 GJAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCc4ccccn4)c23)CO1 13228257 FHMPJBBIPPIAGX-LJQANCHMSA-N 386.546 4.662 0 40 GJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1COc1ccccc1 14160817 WJPYWHICEOFTLF-UHFFFAOYSA-N 386.451 4.645 0 40 GJAB Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@@H](c3ccccc3)C2=O)c1C 15412199 OGIAONFEKRBUFV-QHCPKHFHSA-N 388.442 4.564 0 40 GJAB COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccccn3)sc2c1 16002621 IPVMKMALKLSJDM-UHFFFAOYSA-N 375.453 4.547 0 40 GJAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4)nccn3n2)cc1 16841606 ZTSMXYRZLMOEFH-UHFFFAOYSA-N 388.496 4.690 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccccc4[nH]3)c3c(C)noc3n2)cc1 22227177 YFUIDUOZTSURPB-UHFFFAOYSA-N 383.411 4.635 0 40 GJAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cc2ccccc2nc1Cl 22981559 HPHMVIMKTXNMEA-UHFFFAOYSA-N 390.657 4.953 0 40 GJAB CCN(C(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccccc1C 22993846 RNOAKJLABWXZLT-UHFFFAOYSA-N 378.472 4.774 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3Cc3ccccc3)s2)cc1 25518912 KZUGTFOXZIHHTK-LJQANCHMSA-N 392.524 4.974 0 40 GJAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)NCc1ccc(OC(F)F)cc1 28666685 XXBHNJCOGRMNHM-UHFFFAOYSA-N 392.789 4.835 0 40 GJAB COc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1OC(F)F 29199046 JBBVATRWIJSCRI-UHFFFAOYSA-N 399.397 4.612 0 40 GJAB O=c1cc(-c2ccc(F)cc2)nc2n(Cc3ccccc3F)c3ccccc3n12 40484794 MRTIUALZNCIZJM-UHFFFAOYSA-N 387.389 4.643 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)Nc1ccccc1OCc1cscn1 58356492 VSIAAAGTRYNBAQ-INIZCTEOSA-N 381.501 4.865 0 40 GJAB CN(C)c1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 78654492 PDEIFFYSURANGA-DEOSSOPVSA-N 386.495 4.597 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)Cc1ccsc1 84019824 AFKLECIJJVZEMN-SNVBAGLBSA-N 378.856 4.865 0 40 GJAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)c2c1 84208094 MLRJAESWSNRPMK-UHFFFAOYSA-N 381.501 4.578 0 40 GJAB CCOc1ccc(-c2nc(C)c(C(=O)NCC(C)(C)c3ccncc3)s2)cc1 95454203 MHXZZEBLSRYPEF-UHFFFAOYSA-N 395.528 4.620 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cccc(Cl)c2)C[C@H](c2ccccc2O)C1 102614736 ICWNWCRWRFXGFI-RNODOKPDSA-N 392.846 4.702 0 40 GJAB Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n(C(C)(C)C)n1 107646433 CICRYRXUWQEQGR-UHFFFAOYSA-N 393.516 4.908 0 40 GJAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)C1CCOCC1 206896663 XRJIWVCVOIAZDP-UHFFFAOYSA-N 382.460 4.981 0 40 GJAB Cc1ccccc1[C@H]1CCN(C(=O)COc2ccc(Cl)cc2)CCS1 219277546 UNVODHRKWQQXOA-LJQANCHMSA-N 375.921 4.734 0 40 GJAB O=C(NCc1cccc2ccccc12)C1CCN(Cc2ccccc2F)CC1 222876675 LHDABJKQCUMQNC-UHFFFAOYSA-N 376.475 4.507 0 40 GJAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 222986959 LLUMUBOXCOKPDH-HXUWFJFHSA-N 394.559 4.515 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1cccc2ccccc12 223552621 XSLPWDBPXXVTNQ-OAQYLSRUSA-N 377.484 4.809 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1C(C)C 223789879 JUCVZXLTVAWYLC-SFHVURJKSA-N 375.896 4.816 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1Cl 224458823 KBOMDVXRHKFGAY-HXUWFJFHSA-N 383.875 4.846 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccccc1Cl 225037754 TWNQZSBQWOJXBV-HXUWFJFHSA-N 387.907 4.571 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)CSCc3ccccc3F)ccc21 225175773 KEUKVGGYOJUSMH-UHFFFAOYSA-N 390.505 4.655 0 40 GJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)COc1cccc(C(F)(F)F)c1 225813777 QXBGYOUWYQJQQU-HNNXBMFYSA-N 379.422 4.957 0 40 GJAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1ccc(-c2ccsc2)cc1 238864589 LLZGGFNHCUIVSM-OAQYLSRUSA-N 395.505 4.736 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC2CC2)[C@H]1c1cccs1 257173181 FXHSLAOXBRJLMT-LEWJYISDSA-N 396.556 4.601 0 40 GJAB O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 409116181 LBUNAVSOWPMOMO-OQKWZONESA-N 392.886 4.822 0 40 GJAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)c(C(C)C)c1 1653790575 CZNLNXFDDNVCPY-GOSISDBHSA-N 392.609 4.572 0 40 GJAB Cc1nc(Nc2nc3ccccc3s2)ncc1C(=O)Nc1ccc(F)cc1 1264823 KVYMVCDWYAIAIF-UHFFFAOYSA-N 379.420 4.530 0 40 GJAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(Cl)cc1 2723673 PFPWNZHVLCEPGS-UHFFFAOYSA-N 378.284 4.910 0 40 GJAB CCCCNC(=O)CSc1nc(Nc2ccc(F)cc2)c2ccccc2n1 2948838 SOMVDAZAFREHGO-UHFFFAOYSA-N 384.480 4.521 0 40 GJAB Fc1cc(F)c2nc(N3CCN(c4nc5ccccc5s4)CC3)sc2c1 4137899 RYBNFHQZVREVFH-UHFFFAOYSA-N 388.468 4.511 0 40 GJAB CCCNC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCCC1 4216127 UYCUYMACYQAVTC-UHFFFAOYSA-N 385.577 4.564 0 40 GJAB COc1ccccc1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 4328249 TXKZOWLABXHHNH-UHFFFAOYSA-N 391.905 4.745 0 40 GJAB Cc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1 4816679 NZQBEVHEADFVJJ-PMACEKPBSA-N 392.890 4.717 0 40 GJAB CCN(CC)CCN(C(=O)c1ccccc1F)c1nc2c(F)cccc2s1 5122029 WZPXPTDEAHSSFH-UHFFFAOYSA-N 389.471 4.563 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccccc1F 5136262 KYBDVCWEYGZVEM-UHFFFAOYSA-N 380.444 4.733 0 40 GJAB CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C(CC)CC)cc1 5965375 PUMCBLGGJDOLDZ-SFHVURJKSA-N 389.521 4.513 0 40 GJAB C#CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21 6295445 HNCUAENUTBMGEI-PTNGSMBKSA-N 393.368 4.839 0 40 GJAB O=c1c2ccc(Cl)cc2nc(SC[C@H]2CCCCO2)n1C1CCCC1 6787302 IKQQOOGNDUSAJR-OAHLLOKOSA-N 378.925 4.826 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)COc3ccc(OC)cc3)sc2C)cc1 6886484 XGEUAECCOPGZEC-UHFFFAOYSA-N 398.484 4.543 0 40 GJAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)/C=C/c1ccco1 7272854 WJXMQBXQPWDSPY-PKNBQFBNSA-N 397.496 4.991 0 40 GJAB O=C(CN(C(=O)Cc1c(F)cccc1Cl)c1ccccc1)Nc1ccccc1 9255419 RERHARPSISWAAI-UHFFFAOYSA-N 396.849 4.694 0 40 GJAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 10819661 UMPJKQJGJKEPIR-UHFFFAOYSA-N 397.474 4.653 0 40 GJAB Nc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1C(=O)c1cccs1 12360581 IXIZHSQNKQKJJK-UHFFFAOYSA-N 395.871 4.720 0 40 GJAB C=C(c1ccccc1OCCOc1ccc(Br)cc1)n1ccnc1 12529924 WXCGWSZYPZWKDK-UHFFFAOYSA-N 385.261 4.622 0 40 GJAB CCN(CC)C(=O)c1ccc(N[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1 12554499 PWXFHFXIUTXFTJ-SFHVURJKSA-N 381.520 4.533 0 40 GJAB Cc1c(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)oc2ccc(Cl)cc12 12602861 MISIBCWJEVLHJG-SFHVURJKSA-N 397.837 4.787 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Cl)c2cccnc12 12769262 DKJTZIQWSDSNIZ-HXUWFJFHSA-N 391.858 4.791 0 40 GJAB CSc1cccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 12854809 BORFGSDZOIYIIJ-SXYIGIQMSA-N 398.572 4.554 0 40 GJAB Cc1cccc(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)n1 13284594 NMVYCTOYLLZKJP-GHRIWEEISA-N 389.842 4.683 0 40 GJAB COc1ccc([C@@H]2CCCCCN2Cc2nc(-c3ccccc3OC)no2)cc1 14019767 FLJBAYIALWESGP-FQEVSTJZSA-N 393.487 4.871 0 40 GJAB CCOc1ccc(CN(C)Cn2[nH]c(/C=C/c3ccc(C)o3)nc2=S)cc1 14233949 CDOGYJOCJCFPRF-VAWYXSNFSA-N 384.505 4.501 0 40 GJAB COc1ccc(C(C)(C)C)cc1CN1C[C@@H]2CCC[C@H](C1)C2(O)c1cccnc1 19084423 JOCSVJSQUWGLAR-OFFJZUQKSA-N 394.559 4.507 0 40 GJAB Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)c(C)n1[C@@H](C)c1ccccc1 24482072 CMVTXQWJVOGSTK-FQEVSTJZSA-N 387.527 4.677 0 40 GJAB C[C@@H](N[C@@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 32759583 BKJUBXJOXMYEGH-UZLBHIALSA-N 379.891 4.636 0 40 GJAB CCN(CC)c1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1 33326300 PHBOPBMUPIZDDO-UHFFFAOYSA-N 395.528 4.750 0 40 GJAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)cn3)o2)cc1C 33642559 VYBBWRJPPKWWKB-UHFFFAOYSA-N 385.876 4.739 0 40 GJAB CCOC(=O)c1sc(N(C(=O)c2ccc(Cl)c(Cl)c2)C2CC2)nc1C 36612120 UTIFGEUIGYGZBX-UHFFFAOYSA-N 399.299 4.744 0 40 GJAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(C)c(F)c1 41076936 KTJGWKGQLSUIJM-UHFFFAOYSA-N 381.451 4.646 0 40 GJAB O=C(Cn1ccc2c(Cl)cccc21)NCCc1c[nH]c2ccc(Cl)cc12 44920931 HLVOQTIJXMTWDG-UHFFFAOYSA-N 386.282 4.788 0 40 GJAB COc1ccc2[nH]c(C(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)C3CC3)cc2c1OC 48314678 XWGVUKAKTQMNHT-CZUORRHYSA-N 394.471 4.706 0 40 GJAB CCn1c(SCCOc2ccccc2)nnc1[C@@H](C)Nc1ccccc1OC 48513583 LJICHJVBTBGJRP-MRXNPFEDSA-N 398.532 4.651 0 40 GJAB O=C1CCCc2nc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)sc21 58244783 NOOQJQVFZHXGGS-UHFFFAOYSA-N 389.436 4.723 0 40 GJAB Cc1ccc2nc(-c3cnc(CCC(C)C)nc3)c(C)c(C(=O)N(C)C)c2c1 63869999 NOSYNPSKLQSHTA-UHFFFAOYSA-N 376.504 4.599 0 40 GJAB Fc1ccc(-c2cc3c(N4CCC(Cc5ccccc5)CC4)nccn3n2)cc1 67284951 CYMAHAFRVPOTFM-UHFFFAOYSA-N 386.474 4.995 0 40 GJAB Cc1c(CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)[nH]c2ccccc12 72347910 HHNLELTXOJVRAS-UHFFFAOYSA-N 395.890 4.875 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72349583 DQQOMZCUYSNMEU-GOSISDBHSA-N 392.449 4.976 0 40 GJAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(Cc3cnn(C)c3C)C2)n1 72353976 WXWVXNQGSIKMFN-OAQYLSRUSA-N 392.522 4.541 0 40 GJAB CC(C)C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)c1ccccc1 84509874 QDPONBXUZLWLLH-MRXNPFEDSA-N 396.384 4.687 0 40 GJAB O=S(=O)(Cc1ccccc1)c1nc(-c2ccccc2)oc1-c1ccccc1 94992776 YQKHBAJSKCOEJS-UHFFFAOYSA-N 375.449 4.983 0 40 GJAB COc1cc(C)c(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1OC 95964732 UGDRMJULJITHCU-UHFFFAOYSA-N 398.484 4.705 0 40 GJAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4C)CC3=Nc3ncnn32)cc1 102663384 LZTXVHVEHHLRKN-ZHRRBRCNSA-N 386.455 4.660 0 40 GJAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C[C@H]4O[C@@H]4C=C[C@@H]3[C@@]1(Cl)C2(Cl)Cl 104379196 ZURTYEXVEKFTMO-WGHWSOBWSA-N 380.913 4.792 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 109003933 WOPGOWKVFAXVJB-LPWQTFTOSA-N 381.520 4.734 0 40 GJAB COc1ccc([C@@H]2CCCCN(C(=O)c3cc(-c4cccs4)[nH]n3)C2)cc1 206882909 PPMWLYVGHAVCCM-MRXNPFEDSA-N 381.501 4.557 0 40 GJAB NCCCC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 217695149 VTSDHETXDGUJAT-UHFFFAOYSA-N 378.516 4.967 0 40 GJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cccc2ccccc12 223544499 FNAFMADTSQCPMV-GOSISDBHSA-N 385.463 4.956 0 40 GJAB S=C(NCc1ccccc1Cl)Nc1ccc(N2Cc3ccccc3C2)nc1 223935708 LKIJPLRDNDLRKE-UHFFFAOYSA-N 394.931 4.742 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 224543754 SGULAJNPRPJYET-KRWDZBQOSA-N 397.500 4.627 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225167229 ZLVJFRAGODXNQL-MRXNPFEDSA-N 388.464 4.579 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCCSc2ccccc2)cc1Cl 225285204 YMRBEFCCZDRUAZ-UHFFFAOYSA-N 394.949 4.595 0 40 GJAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)Cc1ccccc1Cl 225443330 DVWUJDPVCQZLSC-UHFFFAOYSA-N 397.906 4.889 0 40 GJAB CCN(C(=O)C(F)(F)F)c1cc(-c2cc3ccccc3oc2=O)ccc1C 226358290 PHPFMNPOSFXINT-UHFFFAOYSA-N 375.346 4.684 0 40 GJAB Cc1ccnc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257231059 GFAWQDASKYEMQW-FQEVSTJZSA-N 387.483 4.530 0 40 GJAB Fc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5ccoc5)C4)nn3c2)c1 306143165 XUYFRFXXMZJFQX-IBGZPJMESA-N 376.435 4.508 0 40 GJAB CCCCc1nnc(SCC(=O)Nc2ccc3c4c(cccc24)CC3)n1CC 408561214 ZGKXWGOXTOIPDR-UHFFFAOYSA-N 394.544 4.623 0 40 GJAB Cc1cc(C)cc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1 408627609 MHUGLYCPHPOUOT-UHFFFAOYSA-N 386.451 4.807 0 40 GJAB N=C1NC(=O)/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)S1 408841334 IGVSICVWLUETIA-NVNXTCNLSA-N 379.268 4.711 0 40 GJAB CCc1nc2ccc(C(=O)N[C@H](c3cccs3)C3CCOCC3)cc2s1 585149360 LBTRSYSKCYSKRG-IBGZPJMESA-N 386.542 4.818 0 40 GJAB Cc1ccc2oc(C(=O)N(C)[C@@H]3CCCC[C@@H](Oc4ccccc4)[C@@H]3O)cc2c1 585272270 JXQAUQVAJUSCEP-KJXAQDMKSA-N 393.483 4.564 0 40 GJAB O=C(CC1CC1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643576259 SMIAXAGEXMOMQI-UHFFFAOYSA-N 380.488 4.955 0 40 GJAB O=c1c2cccc3c2c(nn1-c1ccc(Br)cc1)-c1ccccc1-3 1889302876 JNUKPJGPTNOQTD-UHFFFAOYSA-N 375.225 4.796 0 40 GJAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc5ccccc45)cc3n2)cc1 828089 IQXWOUFFKYRKJH-UHFFFAOYSA-N 394.434 4.835 0 40 GJAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(C(=O)O)cc1 944214 VYQIVIBAMOIKBT-UHFFFAOYSA-N 384.819 4.815 0 40 GJAB CCN(CC)C(=O)CSc1ncnc2sc3c(c12)CC[C@H](C(C)(C)C)C3 1223127 KXBXBFAQWSKZOC-ZDUSSCGKSA-N 391.606 4.803 0 40 GJAB CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 2478072 POBXIFYIINKZSR-GOSISDBHSA-N 388.448 4.562 0 40 GJAB O=C(CSc1ccc2ccccc2c1)OCC(=O)c1c[nH]c2ccccc12 2658634 LHZFXYVTCQLUAE-UHFFFAOYSA-N 375.449 4.839 0 40 GJAB Cc1c(Cl)cccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 2759053 XDEPHQYGLCHOIG-UYRXBGFRSA-N 380.831 4.651 0 40 GJAB COc1ccc2nc(S[C@H](C)C(=O)c3ccc(Br)cc3)[nH]c2c1 4406452 MQKNJZBCMHRWOZ-SNVBAGLBSA-N 391.290 4.698 0 40 GJAB Cc1cc(C(=O)COc2cccc(Cl)c2Cl)c(C)n1C[C@@H]1CCCO1 4808888 RAKMUQMPQJZMHI-AWEZNQCLSA-N 382.287 4.852 0 40 GJAB CCc1nnc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2CC)s1 4849461 WDLSZCZVLJTLNE-UHFFFAOYSA-N 386.546 4.559 0 40 GJAB O=c1[nH]c2ccc(NCc3ccccc3OCc3ccccc3Cl)cc2[nH]1 4973818 MICKUTSGRGWCQD-UHFFFAOYSA-N 379.847 4.701 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)c3cccc(OC)c3OC)sc2C)cc1 5169452 IILYULBHRXDETD-UHFFFAOYSA-N 398.484 4.787 0 40 GJAB COc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1 5249578 FECOTKVVJLOXMY-UHFFFAOYSA-N 393.443 4.946 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(F)c2)N1Cc1ccccc1 5561353 WXGSHPMCCDRMCR-OAQYLSRUSA-N 385.394 4.678 0 40 GJAB COc1cc2sc(NC(=O)COc3ccc(Cl)cc3)nc2cc1Cl 6441323 KCBSIWBVVLEQTA-UHFFFAOYSA-N 383.256 4.629 0 40 GJAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(Cl)s1 6532162 LSTGDFZFOOHEEC-UHFFFAOYSA-N 389.933 4.894 0 40 GJAB CCN(CC)c1ccc(C(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 6654350 QAAIGTHVCWYRFX-HXUWFJFHSA-N 396.560 4.633 0 40 GJAB CCOc1ccc([C@H]2CCCN2Cn2ncn(-c3ccccc3)c2=S)cc1 7317568 WIPGYWGGONTNQN-HXUWFJFHSA-N 380.517 4.597 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCc4ccccc43)cccc2c1=O 7967005 PJCSZUQBJZZYAY-UHFFFAOYSA-N 381.431 4.971 0 40 GJAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(-c2ccc(F)cc2)o1 8012631 XOVSLTZMLJAAAZ-UHFFFAOYSA-N 378.447 4.612 0 40 GJAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)c1ccc(C2CCCCC2)cc1 8127961 BQKNNMPGBYLENE-UHFFFAOYSA-N 382.504 4.562 0 40 GJAB COc1ccccc1CNc1nc(-c2ccc(N3CCCC3=O)cc2)cs1 8295839 DHIAIBCBQPGVDO-UHFFFAOYSA-N 379.485 4.558 0 40 GJAB COc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl 8470424 JSYTWZFXTCOLIT-MRXNPFEDSA-N 396.314 4.850 0 40 GJAB CCc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 8673532 RRCODNYFSVSVKT-INIZCTEOSA-N 378.472 4.564 0 40 GJAB CN(Cc1ccccc1Br)C(=O)Nc1nc2ccccc2s1 9710517 YSOIBNHWDPVJBQ-UHFFFAOYSA-N 376.279 4.723 0 40 GJAB CC[C@H](C)N(C(=O)CSc1nnc(Nc2ccccc2F)s1)[C@@H](C)CC 10077685 BQQLHVPGYOYEID-STQMWFEESA-N 396.557 4.939 0 40 GJAB Cc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1ccccc1)C3 10156907 HNNOAFBFMYCMKK-MRXNPFEDSA-N 388.858 4.666 0 40 GJAB Cc1ccc(-c2cc(C(=O)OCc3ncc(-c4ccc(F)cc4)o3)[nH]n2)cc1 11494708 XJWLQAOMQZCTBJ-UHFFFAOYSA-N 377.375 4.536 0 40 GJAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 12196877 LTMPRLUDPLXDPX-CVDCTZTESA-N 390.439 4.848 0 40 GJAB Cc1ccc(C)c(NC(=O)c2c(N)c(C(=O)c3cccs3)n3ccccc23)c1 12342024 ZKOORVGAHVCHOG-UHFFFAOYSA-N 389.480 4.683 0 40 GJAB O=C(NCCc1ccccc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 12695670 ZNNHMCGTAXCZHX-UHFFFAOYSA-N 393.796 4.517 0 40 GJAB CC(C)[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCO2 12981622 JPXBHFLGLFLUNJ-FQEVSTJZSA-N 393.405 4.533 0 40 GJAB COc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1 14179791 UJVHNZJLCCXPMW-UHFFFAOYSA-N 377.375 4.598 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)CSC1=Nc2ccccc2CS1 14232221 OAHVBRRMRZSGOK-UHFFFAOYSA-N 399.566 4.922 0 40 GJAB CCOC(=O)c1cc(NC(=O)CSCc2ccc(C)cc2)ccc1Cl 20484539 VZNIKOJWQDZPCZ-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C)o3)N3CCCC3)c(C)c2c1 21659775 MLNNWEUENWOETH-LJQANCHMSA-N 380.488 4.772 0 40 GJAB CC(=O)c1cc(CCC(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)oc1C 23646491 RJQWKCQUCFROJP-UHFFFAOYSA-N 383.532 4.996 0 40 GJAB O=c1[nH]c(CN2CCC[C@@H]2c2nc3ccccc3s2)nc2cc(Cl)ccc12 23883112 OLITVBRYUFPJKJ-MRXNPFEDSA-N 396.903 4.523 0 40 GJAB O=C(CS/C(=C\c1ccc(F)cc1)C(=O)O)Nc1ccccc1C(F)(F)F 27642477 NWBRHBPCQDKCGN-DHDCSXOGSA-N 399.365 4.642 0 40 GJAB CCC1=C(O)[C@@H](CN2CCC(C)CC2)[C@@H]2OC(=O)C=C(c3ccccc3)C2=C1 28120505 QSKDUZHVPFHIOF-ZJSXRUAMSA-N 379.500 4.506 0 40 GJAB CN(Cc1ccc(F)cc1F)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 32908233 JDRCHQNURCUSSP-UHFFFAOYSA-N 376.403 4.584 0 40 GJAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1Cl 32911955 DUWPDMZGIOHXST-UHFFFAOYSA-N 392.208 4.639 0 40 GJAB CN1C(=O)c2cc(NC(=O)NCc3ccc(F)cc3)ccc2Oc2ccccc21 36705399 QCIXVBLHCCMESO-UHFFFAOYSA-N 391.402 4.530 0 40 GJAB COc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 40049814 QHNHIQKODJMIHH-UHFFFAOYSA-N 379.843 4.510 0 40 GJAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(CN2CCCC2=O)c1 40104943 PICHITHCMNSHSR-OAHLLOKOSA-N 385.895 4.687 0 40 GJAB COc1ccc(C2=CCN(C(=O)c3ccc(F)cc3Br)CC2)cc1 40122419 UIQAKPAFRCNODA-UHFFFAOYSA-N 390.252 4.526 0 40 GJAB CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)c(Br)c1 40944347 TWRIZUIXCQCZFG-UHFFFAOYSA-N 398.684 4.691 0 40 GJAB Cc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 57438657 UNOUESUTLSXBFE-UHFFFAOYSA-N 385.511 4.570 0 40 GJAB O=C(N[C@H]1CCc2ccccc21)c1cccnc1SCc1ccc(F)cc1 58393049 LOYLOFDVENWMPV-FQEVSTJZSA-N 378.472 4.930 0 40 GJAB Cc1csc(C2(NC(=O)Nc3nnc(C4CCCCC4)s3)CCCC2)n1 72288965 BOYBGFJTMWJNNA-UHFFFAOYSA-N 391.566 4.942 0 40 GJAB COc1ccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1OC(F)F 78743224 BVGFOODFZKDRGT-UHFFFAOYSA-N 379.256 4.707 0 40 GJAB C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)c1ccc(C[C@@H]2CCCC2=O)cc1 96114068 RRLBDVIERVZFEX-XLIONFOSSA-N 388.511 4.542 0 40 GJAB biogenic CC1=C(CC(=O)NC2CC2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 101465664 ALVXJUSAQPKWCF-ONFXPOCRSA-N 395.499 4.560 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 223738646 XFEIKGANYHGMEJ-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1C 224100283 NVDZBJLAYJBYGL-UHFFFAOYSA-N 391.423 4.564 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1C1CCCC1 225030181 QZDGPIKWBNRVPC-LEWJYISDSA-N 380.561 4.913 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 225505911 JHIXMKPVMVVIKS-OAQYLSRUSA-N 390.508 4.858 0 40 GJAB C[C@@H](CN1CCC[C@@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 248173953 UOPJJORNGHLBHK-AZUAARDMSA-N 395.547 4.720 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)c2cc3cccc(OC)c3o2)cn1 408568519 KDQUWGORHVFBNH-UHFFFAOYSA-N 390.395 4.890 0 40 GJAB CCSc1ccccc1C(=O)NC[C@@H](c1cccs1)n1nc(C)cc1C 585148118 LDLYBIAVHLHSSS-KRWDZBQOSA-N 385.558 4.693 0 40 GJAB CCc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C(C)C)cc1 670417815 JRVSTFRKRLNUID-GOSISDBHSA-N 392.421 4.661 0 40 GJAB Fc1cccc(Br)c1CN1CCn2cccc2[C@@H]1c1ccccc1 1652738928 PLAOLRNWGXCLBV-FQEVSTJZSA-N 385.280 4.995 0 40 GJAB COc1ccc(C[C@H](OC)[C@@H](O)c2ccccc2)c(OCc2ccccc2)c1 622445 MAJBYSWTUGYQHM-ZEQRLZLVSA-N 378.468 4.565 0 40 GJAB Cc1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)n1-c1ccccc1 667083 UCKVMTLKGJWUSU-UHFFFAOYSA-N 383.864 4.571 0 40 GJAB O=C1CS[C@H](c2ccc(Br)cc2)N1c1nc2ccccc2s1 1084492 URVIYCUUDYECQL-OAHLLOKOSA-N 391.315 4.837 0 40 GJAB CCc1cccc2c(SCC(=O)NC(C)C)nc(-c3ccc(F)cc3)nc12 1368198 MAQMFSPUMFGOGE-UHFFFAOYSA-N 383.492 4.615 0 40 GJAB O=C(CSc1cccc(Cl)c1Cl)Nc1nnc(C(F)(F)F)s1 1397840 TYDHEXZDXJGRFY-UHFFFAOYSA-N 388.223 4.595 0 40 GJAB O=C(OCCNc1nc(-c2ccccc2)nc2ccccc12)c1cccs1 1912359 LMVQKDZQCCXIQU-UHFFFAOYSA-N 375.453 4.627 0 40 GJAB CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)cc1 2450615 LSGKYVKBXJLWMJ-UHFFFAOYSA-N 380.517 4.567 0 40 GJAB COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 2645436 STOAOIZQPQVIPH-UHFFFAOYSA-N 394.283 4.506 0 40 GJAB COc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3ccc(C)cc3c2=O)cc1 2691856 DTQYWVJGRDXYJP-UHFFFAOYSA-N 397.474 4.906 0 40 GJAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1cccc(Br)c1 3065988 JLBKLPNTTUVKKQ-LHHJGKSTSA-N 398.590 4.725 0 40 GJAB O=C(c1cc2ccccc2o1)N1CCN=C1SCc1c(F)cccc1Cl 4120171 RJEWJBZEBRNVBO-UHFFFAOYSA-N 388.851 4.971 0 40 GJAB COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OC(=O)N(C)C)cc34)oc12 4586177 PPXJEMMZCFLQCI-UHFFFAOYSA-N 393.395 4.584 0 40 GJAB biogenic COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OC(=O)C5CC5)cc34)oc12 4586186 UFRLQFHSFUFVKP-UHFFFAOYSA-N 390.391 4.839 0 40 GJAB biogenic CCCCC(=O)N(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880732 NUSWRMADVIDERM-UHFFFAOYSA-N 375.538 4.672 0 40 GJAB CCc1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 5147341 FANMHPXCJNNEQN-UHFFFAOYSA-N 379.460 4.946 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@H]1CCCc2ccccc21 5442765 XZHIWXNACOTRRE-ZEQRLZLVSA-N 398.506 4.742 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2ccc(F)cc2)cc1OC 5558709 KMIVMKWIPLILEF-UHFFFAOYSA-N 382.229 4.638 0 40 GJAB NC(=O)N[C@@H](CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1 6582770 RJYOOXQOBZSYJJ-FQEVSTJZSA-N 393.874 4.745 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C1=O 6656881 HRARQCBBZJXLDL-CPNJWEJPSA-N 383.469 4.721 0 40 GJAB CSCC[C@H](NC(=O)c1oc2c(F)cccc2c1C)c1nc2ccccc2[nH]1 6657839 BIYAPFFYVUYOCV-KRWDZBQOSA-N 397.475 4.981 0 40 GJAB Cc1cccc(-c2cc(OC(=O)COc3ccccc3)cc3sc(=O)oc23)c1 6809711 AAISBXOPDLOILR-UHFFFAOYSA-N 392.432 4.814 0 40 GJAB Cc1ccc(-c2noc(SCC(=O)Nc3cccc4ccccc34)n2)cc1 7610309 MGUMZOMRMPTPLY-UHFFFAOYSA-N 375.453 4.929 0 40 GJAB C[C@@H]1CCc2ccccc2N1Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 7988691 GPIUIJAZYMLEGC-CYBMUJFWSA-N 398.919 4.785 0 40 GJAB Cc1cc(=O)oc2cc(OCc3nnc(-c4ccc(F)cc4)o3)c(Cl)cc12 8390943 OOPJMDISUSUQPI-UHFFFAOYSA-N 386.766 4.523 0 40 GJAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2)cc1 9428245 HMEYSORYFLIRGB-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Cc1ccccc1NC(=O)CNc1cc(C(F)(F)F)ccc1N1CCCC1 10843961 DLWQYOUJKKPSJC-UHFFFAOYSA-N 377.410 4.665 0 40 GJAB CCC(=O)Nc1ccc(-c2csc(NC(=O)CCc3cccs3)n2)cc1 11436730 JVPSESYXXOKTML-UHFFFAOYSA-N 385.514 4.791 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CCc1csc(NC(=O)c2ccco2)n1 11835309 KKIPXAXKGNSFCY-UHFFFAOYSA-N 389.864 4.522 0 40 GJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2[nH]c3ccccc3c2Cl)CC1 12330634 GMGUMMNCRUVRIN-UHFFFAOYSA-N 399.897 4.588 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1Cl 12737641 KHFIKAJMRGWUEB-UHFFFAOYSA-N 377.878 4.736 0 40 GJAB CCC(CC)C(=O)Nc1ccc(Nc2ccc(-n3nc(C)c(C)c3C)nn2)cc1 13009725 SIBMCBZAVXANIS-UHFFFAOYSA-N 392.507 4.706 0 40 GJAB CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 14636237 IJCIWJVSRQFWHO-DEOSSOPVSA-N 392.499 4.775 0 40 GJAB Cc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCCC2)o1 15860262 JJVCGQNIWPDALU-QFIPXVFZSA-N 388.511 4.673 0 40 GJAB Clc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1Cl 20405002 UBGFKIBNNWUYCR-UHFFFAOYSA-N 378.328 4.925 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)c(OC)c1 22890784 HRBNSXZNADHOHO-UHFFFAOYSA-N 395.484 4.514 0 40 GJAB CN(C)C(=O)[C@@H](Sc1nc2c(n1-c1ccccc1)CCCC2)c1ccccc1 26483566 QIGYVRXTORCWBX-NRFANRHFSA-N 391.540 4.673 0 40 GJAB C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 29239161 ZPMKWNLEJJRUQO-LLVKDONJSA-N 386.211 4.888 0 40 GJAB Cc1ccc(C)c(-c2nn(C[C@H](O)c3ccc(F)cc3)c(=O)c3ccccc23)c1 32907288 GGCREJYNYJFLOP-QFIPXVFZSA-N 388.442 4.553 0 40 GJAB COc1ccc(OC)c(-c2csc(-c3nnn(-c4ccc(F)cc4)c3C)n2)c1 38486824 PZAZTHXGVOTQLS-UHFFFAOYSA-N 396.447 4.523 0 40 GJAB O=C(c1cc(-c2cccnc2)on1)N(Cc1ccccc1C(F)(F)F)C1CC1 40132932 ZXMDTSJBRMAVJT-UHFFFAOYSA-N 387.361 4.560 0 40 GJAB Cc1cc(C)c(C(=O)CCCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(C)c1 48276757 ZLTUMZZOTPQCSN-JOCHJYFZSA-N 397.490 4.704 0 40 GJAB CC1CCN(Cc2nc3cc(NC(=O)c4ccco4)ccc3n2C(C)C)CC1 65322320 QIEVALDCPLUKHX-UHFFFAOYSA-N 380.492 4.694 0 40 GJAB COc1ccccc1-c1nc(CNc2cccc(N3CCCC3=O)c2C)cs1 65475930 UGLPKWLXNQKFLU-UHFFFAOYSA-N 393.512 4.866 0 40 GJAB CC[C@@H](c1ccncc1)N(C)Cc1nc(-c2ccc(Br)s2)no1 89947964 ATWXFXVXWCVFSE-LBPRGKRZSA-N 393.310 4.539 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCSC[C@H]1c1cccs1 95403782 KPTXOEYJFASKPU-KRWDZBQOSA-N 398.557 4.873 0 40 GJAB C=CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)cc1 95947728 COWDEQBGCOFKMH-UHFFFAOYSA-N 397.525 4.543 0 40 GJAB CO[C@H]1CCN(c2ccc(NC(=O)Cc3ccc(SC(C)C)cc3)cc2)C1 96122229 KZYIMDYYAFDVEN-FQEVSTJZSA-N 384.545 4.593 0 40 GJAB C[C@H]1[C@@H](OC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C[C@H]2C[C@H]1C2(C)C 102597247 CJGSJLGOYGVJOU-QOJCHSLYSA-N 384.520 4.544 0 40 GJAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)c1 223641007 IPYPLYBMWACIIS-UHFFFAOYSA-N 389.860 4.942 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 224066139 XZHKDNMDFDUDFO-IBGZPJMESA-N 395.543 4.869 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 225176321 UOVHHJXNJXFEKC-UHFFFAOYSA-N 398.528 4.959 0 40 GJAB CCOc1cccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)c1 225439550 IJYAXNDGSMIANX-UHFFFAOYSA-N 399.741 4.988 0 40 GJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225745503 MPWNBDWNPUGFOZ-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB Cc1cc(C)nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)n1 225987242 UYNMOFQHICBYDS-UHFFFAOYSA-N 388.968 4.935 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2 245170848 XIZAZHFFMDUPMW-KBPBESRZSA-N 391.393 4.707 0 40 GJAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccc(C)nc4)o3)CC2)c1 257288179 PTFQVGCACALOAM-WKILWMFISA-N 396.516 4.514 0 40 GJAB O=C(c1ccc(OCc2ccccc2)cc1)[C@H](Br)CBr 382675398 OAKILLPHJLZHGW-OAHLLOKOSA-N 398.094 4.607 0 40 GJAB C/C(=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] 408532960 IXFVWBZKPPFTIZ-CSKARUKUSA-N 396.624 4.959 0 40 GJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cc(C)cc(C)c3)sc2n1 408619560 JAPFDNADRIRSMP-UHFFFAOYSA-N 398.557 4.883 0 40 GJAB CCOc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1Br 409102882 UMVFCLBWBINQON-YBEGLDIGSA-N 376.275 4.933 0 40 GJAB COc1cccc2c1OC(C)(C)[C@H]1C[C@@H](C(=O)O)[C@H](CCc3ccccc3)O[C@H]21 585264797 NPSXYNPEVHQAMF-XODKDNOYSA-N 396.483 4.646 0 40 GJAB COc1cc(-c2nc(O)c3c(n2)S[C@H]2CCCCC[C@@H]32)ccc1OC(F)F 1505840486 WWLTUTOICKGHLC-RISCZKNCSA-N 394.443 4.981 0 40 GJAB COc1cnc(F)c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 1529536521 FHEUBOPNEUXSFF-UHFFFAOYSA-N 379.416 4.758 0 40 GJAB COC[C@@H]1CCCN(Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 1615055944 SMYWQTILLQIRTP-QGZVFWFLSA-N 375.459 4.792 0 40 GJAB C[C@@H](O)c1ccc(CNC(=O)Nc2ccc(Oc3ccccc3F)cc2)cc1 1673011912 GOVUKAIHTUJXTJ-OAHLLOKOSA-N 380.419 4.993 0 40 GJAB Cc1ccc([C@@H]2CCCCN2C(=O)NC[C@]2(C)OCCc3ccccc32)cc1 1684959169 QNLPQOWDVYERHW-UPVQGACJSA-N 378.516 4.720 0 40 GJAB Cc1cc2cc(C)c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2cc1C 902919 OOWFHFIKVNJWIG-UHFFFAOYSA-N 394.496 4.662 0 40 GJAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3C)coc2c1 957224 GMXAGEDTMIRTIK-INIZCTEOSA-N 396.439 4.841 0 40 GJAB COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCC2 994621 BBIJCBRUAKPTSP-SOFGYWHQSA-N 396.295 4.982 0 40 GJAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccco3)c2)cc1 1006621 LZYGQCKWDONLHG-UHFFFAOYSA-N 384.819 4.836 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccccc2)c1 1022869 JOHHLSCSGVHOAC-QFIPXVFZSA-N 388.467 4.642 0 40 GJAB biogenic O=C(O)[C@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)c1nccc2ccccc12 1718223 CAMIDTHISYSANX-YADHBBJMSA-N 381.431 4.950 0 40 GJAB O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccc(Br)cc1 2319896 DETIAXIKPYTTCV-UHFFFAOYSA-N 391.268 4.739 0 40 GJAB CCCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2 2417466 RPHMJXWONGRKII-MSOLQXFVSA-N 395.894 4.816 0 40 GJAB C[C@@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccccc1 3220026 XOZJTRHPZIOMBG-MRXNPFEDSA-N 385.891 4.572 0 40 GJAB O=C(CSc1nc2ccccc2o1)Nc1ncc(C(F)(F)F)cc1Cl 3272638 IRNBQZQKQXRJHQ-UHFFFAOYSA-N 387.770 4.626 0 40 GJAB COc1ccc(Br)c(C(=O)Nc2nc3ccc(C)cc3s2)c1 3592134 MTKBVLGWDRZANX-UHFFFAOYSA-N 377.263 4.628 0 40 GJAB O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Oc2ccccc2)cc1 4275977 QHPNEYWFBNVSQS-UHFFFAOYSA-N 375.359 4.920 0 40 GJAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@@H]2c1cccc(OC)c1OC 4788985 VQIZEMZOHPZSDU-JVJLVOBOSA-N 384.472 4.867 0 40 GJAB Cc1ccc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccc(F)cc2)cc1 4891449 PKUSCANWQCZFGE-UHFFFAOYSA-N 395.503 4.978 0 40 GJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1onc(C)c1Cl 5007082 XKLNUISAIFQWFK-UHFFFAOYSA-N 390.848 4.794 0 40 GJAB CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccco4)=NN32)cc1 5017001 LJWGHTGAKNXIMX-CVDCTZTESA-N 390.439 4.929 0 40 GJAB CCOC(=O)c1c(NC(=O)CCSc2ccc(C)cc2)sc2c1CCC2 5191186 DLAHWTNCQPXORP-UHFFFAOYSA-N 389.542 4.843 0 40 GJAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccs3)sc2c1 5265113 ZZGHAHNYYBOTRT-UHFFFAOYSA-N 381.482 4.608 0 40 GJAB O=c1c2ccccc2nc(-c2ccccc2)n1CCc1c[nH]c2ccc(F)cc12 5275051 UYRKKUKUBQAJAF-UHFFFAOYSA-N 383.426 4.927 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)C1c2ccccc2Oc2ccccc21 5632736 KOGGPPJXTFFNTN-UHFFFAOYSA-N 388.423 4.530 0 40 GJAB CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(Br)ccc21 5912553 WOLPGGGWZDXCNM-IBGZPJMESA-N 378.285 4.704 0 40 GJAB in-vitro CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 6610171 TWRQINPNYJJZHH-UHFFFAOYSA-N 395.864 4.788 0 40 GJAB COc1ccc2c(COC(=O)c3cc4cc(F)ccc4s3)cc(=O)oc2c1 7165607 MFJNCNSDTCZEPR-UHFFFAOYSA-N 384.384 4.512 0 40 GJAB CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(OC(C)C)cc2)CC1 8562980 HFLHOMPXTTUKDO-UHFFFAOYSA-N 380.488 4.598 0 40 GJAB CC(C)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 8645787 PDZBEQVEBSSLOR-UHFFFAOYSA-N 378.295 4.849 0 40 GJAB O=S1(=O)C=C(Sc2nn(-c3ccccc3)c(=S)s2)c2ccccc21 9142785 VBBHQSTUMGFKBN-UHFFFAOYSA-N 390.536 4.541 0 40 GJAB COc1cc(Br)cc2cc(-c3nc4cc(C)c(C)cc4[nH]3)c(=O)oc12 9235541 OPHSGROKGZEOFH-UHFFFAOYSA-N 399.244 4.724 0 40 GJAB O=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)Nc1ccccc1 11695945 UINYEKLASAWLRX-UHFFFAOYSA-N 394.434 4.997 0 40 GJAB CC(C)n1ncc2cc(C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)cnc21 12979011 RKBXLLYCQXDLBU-LJQANCHMSA-N 394.475 4.732 0 40 GJAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 15012590 UZWVXKZLHYJKMM-BLAZZTHISA-N 392.480 4.616 0 40 GJAB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 16438705 GNUOBCJUUNTDLY-CXUHLZMHSA-N 384.863 4.910 0 40 GJAB COc1ccc(NC(=O)c2cc(N3C[C@@H](C)C[C@H](C)C3)nc3ccccc23)cc1 18173560 GOWWGNCXZGMPDC-IRXDYDNUSA-N 389.499 4.978 0 40 GJAB O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(C3CCCCC3)CC[C@@H]21 19406577 QWKVYPJHEHPVCR-FKBYEOEOSA-N 386.605 4.887 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 20487309 UCKSIIGGFDTRRT-UZUQRXQVSA-N 393.483 4.590 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 20900086 XNGIHBMUDCGHJO-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB Cc1ccc2c(CSc3nc(C)c(C)n3C[C@@H]3CCCO3)cc(=O)oc2c1C 21568756 NNWBEVMDNQBORK-SFHVURJKSA-N 398.528 4.694 0 40 GJAB C[C@H](OC(=O)CCc1ncc(-c2ccccc2)o1)c1nnc(-c2ccccc2)o1 22613676 YNLGQURWCXNXIE-HNNXBMFYSA-N 389.411 4.629 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(F)cc3)n2)cc1 23392682 FVOKARXWTCQIQX-OAHLLOKOSA-N 381.451 4.809 0 40 GJAB Cc1c([C@H](C)NC(=O)c2cccc(F)c2)cnn1-c1cccc(C(F)(F)F)c1 24755279 GTQQOLAFAHUYJL-LBPRGKRZSA-N 391.368 4.830 0 40 GJAB Clc1ccc(-c2nnc(SCc3cccnc3)n2Cc2ccco2)cc1 27779063 FVGLHRKBRXELOM-UHFFFAOYSA-N 382.876 4.927 0 40 GJAB Cc1cc2oc(C(=O)N(Cc3ccco3)Cc3ccco3)cc(=O)c2cc1Cl 27793578 OJNQHWFCLQATJM-UHFFFAOYSA-N 397.814 4.783 0 40 GJAB COc1ccc(-c2csc(CCNC(=O)Nc3cccc(Cl)c3)n2)cc1 31848858 IPGOCRPNKVCRSP-UHFFFAOYSA-N 387.892 4.836 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3cnccc3o2)cc1 32104589 DBOYLYCFQJCMKY-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB O=C(O)CCC[C@H](O)/C=C/C=C/C=C/[C@H](O)C/C=C\CCCCC(F)(F)F 38141777 YKIRCSCMMMEEDI-IUEHRGKOSA-N 390.442 4.701 0 40 GJAB Cc1ccc(Cn2ccc3c(cnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc1 40396906 JEBBNGWAULZCNW-UHFFFAOYSA-N 398.441 4.515 0 40 GJAB Cc1cc(C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c2ccc(F)cc2n1 48291107 YJOFZVCJDAQKIQ-HSZRJFAPSA-N 385.442 4.939 0 40 GJAB Cc1ccc2oc(=O)c(-c3nc(-c4ccccc4Br)no3)cc2c1 57354715 JTXGITQIHKYVPF-UHFFFAOYSA-N 383.201 4.581 0 40 GJAB CCCCN1C(=O)C(C)=C(C)[C@H]1NCC(C)(c1ccccc1)c1ccccc1 57388506 OGTJOZXCMBTWSS-QHCPKHFHSA-N 376.544 4.887 0 40 GJAB Oc1ccc(CCNCc2cc3sccc3n2Cc2ccc(F)cc2)cc1 57719317 NVBCBPAKXDFTNK-UHFFFAOYSA-N 380.488 4.928 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC3(CCCCC3)CC2)c(O)c1 84240802 OYZDQYYCUUJBPO-UHFFFAOYSA-N 388.508 4.926 0 40 GJAB CSc1ccccc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119681 NAKVHDFVWMTNSB-UHFFFAOYSA-N 391.452 4.895 0 40 GJAB Cc1cc(NC(=O)N[C@@H](C)C[C@@H](O)c2cccs2)ccc1Oc1cccnc1 162601455 YMDKCVHAGYWIQU-MAUKXSAKSA-N 397.500 4.878 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(Cl)c2)cc1OCC 222714946 LKOGBNVQSRIFLX-ZDUSSCGKSA-N 377.868 4.637 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 222843910 NOYCBHVXXAZQKH-HUUCEWRRSA-N 388.895 4.583 0 40 GJAB S=C(NCc1cccnc1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 223940911 KQQUIQKJYNOBPM-UHFFFAOYSA-N 386.933 4.768 0 40 GJAB CCc1ccc(OCCNC(=O)c2cccc(OCc3ccccc3)c2)cc1 224270871 QWXHITJXBNKJJC-UHFFFAOYSA-N 375.468 4.637 0 40 GJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225838989 DSMUVEGQRINAJW-QVKFZJNVSA-N 379.497 4.574 0 40 GJAB COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1cccc(Cl)c1 226288020 VRYIRKRVNLQHSI-UHFFFAOYSA-N 392.842 4.761 0 40 GJAB Cc1cccnc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257261225 LGFYKXKYBIQJJO-KRWDZBQOSA-N 395.890 4.642 0 40 GJAB O=C(Nc1ccccc1F)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408697183 FSTFMKKIQFPOJC-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 409341948 AQMNZJMTRXEJAH-UNOMPAQXSA-N 394.496 4.541 0 40 GJAB COc1ccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@@H]4C)cc1 584906223 NAGPWHRDBDRYIM-AWEZNQCLSA-N 391.467 4.755 0 40 GJAB CO[C@H](C(=O)Nc1c(Cl)cccc1Oc1cc(C)cc(C)c1)[C@H]1CCOC1 622890345 DDHSBXOIAVHVOC-YWZLYKJASA-N 389.879 4.739 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncnc2sc3c(c12)CCCC3 912343 OLLDXGKRGDIOFT-CYBMUJFWSA-N 395.553 4.640 0 40 GJAB CCc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 950205 BYKHVWXQKROHHS-UHFFFAOYSA-N 392.430 4.658 0 40 GJAB COc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)c(OCc2ccccc2)c1 1558288 CBEAZKUTRQYCPU-KGENOOAVSA-N 385.419 4.619 0 40 GJAB CCS(=O)(=O)c1ccc(NC(=O)OC(c2ccccc2)c2ccccc2)cc1 1698200 MTKQRBROWDCOIV-UHFFFAOYSA-N 395.480 4.818 0 40 GJAB CC[C@@H](C)C(=O)NC(Nc1ccccc1Cl)(C(F)(F)F)C(F)(F)F 2257108 PSXHLVPSIBVITL-MRVPVSSYSA-N 376.728 4.735 0 40 GJAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4Cl)nc32)cc1 2399421 XACCXKPCWVIRNW-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C)cc2Br)cc1 2626275 VMZQVJKEKFYYKB-UHFFFAOYSA-N 390.277 4.758 0 40 GJAB O=C1CCC[C@H]1[C@@H](Nc1ccc(I)cc1)c1ccccc1 3085796 DGQNMZQQSHHYKF-AEFFLSMTSA-N 391.252 4.814 0 40 GJAB O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1 3248698 LKWSNYPNUCCBKL-UHFFFAOYSA-N 380.827 4.959 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c(C)c1 4036331 GLIJCHSTIIFFPJ-UHFFFAOYSA-N 395.509 4.776 0 40 GJAB CN(C(=O)c1ccccc1Cl)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078436 LKOBOGQODMZBNR-UHFFFAOYSA-N 387.936 4.936 0 40 GJAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 4263995 ZINKJKZJYKUIJV-UHFFFAOYSA-N 396.512 4.513 0 40 GJAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N(C)c1ccccc1 4596932 LNMNGACDXKIPQN-AWEZNQCLSA-N 396.491 4.563 0 40 GJAB CC(=O)c1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 4953199 QYJJXOVFJLMKAL-UHFFFAOYSA-N 375.453 4.850 0 40 GJAB COc1ccc(-c2csc(N3N=C(C(C)(C)C)C[C@@]3(O)C(F)(F)F)n2)cc1 5243110 HTJHUXVXSUDAMF-QGZVFWFLSA-N 399.438 4.682 0 40 GJAB CN(C)C[C@@H]1CCCC[C@@H]1OC(=O)CCCOc1ccc(Cl)cc1Cl 5526191 XBTCUCCTGZQYBA-YOEHRIQHSA-N 388.335 4.816 0 40 GJAB COc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 6640262 NDJXEXLHHNRYQW-UHFFFAOYSA-N 377.440 4.561 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C 8496094 SCLWNXQZCYAKFT-INIZCTEOSA-N 382.504 4.530 0 40 GJAB CCOC(=O)CSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 8673892 ZWIVVGNJINJZCS-UHFFFAOYSA-N 386.498 4.512 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccccc2)s1 8792931 INDUQJBRGZOOMQ-UHFFFAOYSA-N 391.905 4.745 0 40 GJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)[C@@H]1COc2ccccc2C1 8843826 RDSQVBZAYGYEHZ-HNNXBMFYSA-N 384.888 4.577 0 40 GJAB O=C(COc1ccccc1Cl)Nc1ccc(NC(=O)Cc2ccccc2)cc1 9190333 UKRWDACPPLVYGD-UHFFFAOYSA-N 394.858 4.539 0 40 GJAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)Cc2ccco2)cc1 9456986 LIWIUOUNBIEZID-UHFFFAOYSA-N 385.467 4.772 0 40 GJAB Cc1ccnc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1 10430643 ZRUDTXMJXGZNCT-UHFFFAOYSA-N 387.439 4.979 0 40 GJAB COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3cccs3)n2)c1 11027398 XEOUFMQEFJAKBR-UHFFFAOYSA-N 396.497 4.627 0 40 GJAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccccc1N1CCCCC1 12555909 FXTGECIHNGTQOV-INIZCTEOSA-N 382.533 4.981 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3O)cc12 12768918 XHOXCJHBCWYZLK-UHFFFAOYSA-N 381.432 4.552 0 40 GJAB COc1cccc(CNC(=O)c2cccnc2Sc2ccc(C)cc2C)c1 12778912 IXLJDXQEDKGWKQ-UHFFFAOYSA-N 378.497 4.788 0 40 GJAB CCOc1cc(CN(c2ncnc3sccc23)C2CC2)ccc1OC(F)F 12883177 AHYLBGICESFZKP-UHFFFAOYSA-N 391.443 4.860 0 40 GJAB CC[C@H](CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)c1ccccc1 12914762 JUJKBTNGKRKYPU-QGZVFWFLSA-N 376.456 4.764 0 40 GJAB COCc1c(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)oc2ccccc12 14802622 TXZDROBRQDRPOV-UHFFFAOYSA-N 398.846 4.612 0 40 GJAB Cc1noc2nc(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)cc(C(F)(F)F)c12 19564554 IUNZTVJPHGNKBB-AWEZNQCLSA-N 393.409 4.612 0 40 GJAB Cc1ccc(OCCN(C)C)c(NC(=O)c2cc3cc(Cl)ccc3nc2C)c1 19718697 DZQCCZIQKKXZRO-UHFFFAOYSA-N 397.906 4.698 0 40 GJAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C2CCCC2)nc1C 19753460 SRANQVNKYHKPED-FQEVSTJZSA-N 394.519 4.516 0 40 GJAB Cc1ccc(C(=O)Nc2ncc(CN3CC[C@H](c4ccccc4)C3)s2)cc1 19873248 LNFNXXMHRXNNTG-IBGZPJMESA-N 377.513 4.693 0 40 GJAB Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC(C)C)C1 20463603 BAJYTORACJMBRQ-UYAOXDASSA-N 394.563 4.906 0 40 GJAB biogenic,in-vitro CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c(Cl)c1 20492891 WKTONJUVLMGLMX-CQSZACIVSA-N 375.852 4.540 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 21369078 CDRABIACHIIYTN-HZPDHXFCSA-N 379.456 4.502 0 40 GJAB COCc1cccc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)c1 25823679 JIAHRTZRVNOYOT-UHFFFAOYSA-N 384.526 4.727 0 40 GJAB O=C(CSc1nc2cc(Cl)ccc2s1)N[C@@H]1CCOc2ccccc21 26911080 JGEXGYNFVOSSLE-CYBMUJFWSA-N 390.917 4.682 0 40 GJAB O=C(CCc1cccs1)Nc1cc(Br)ccc1Br 31950555 BHYLWKIEIYGFRL-UHFFFAOYSA-N 389.112 4.844 0 40 GJAB Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c(C)s1 31951670 BYMNOVJDXINBFN-ACJLOTCBSA-N 392.952 4.650 0 40 GJAB CCc1cc(C(=O)N[C@@H](C)CC)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621727 ZLIOVBJGOYFGMB-ZDUSSCGKSA-N 380.467 4.528 0 40 GJAB COc1cccc(NC(=O)NCc2cccc(Oc3ccc(F)cc3)c2)c1OC 38679506 XBUXENKZUWZESG-UHFFFAOYSA-N 396.418 4.957 0 40 GJAB COc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 38834176 BXQVZZOYOLEEDO-HNNXBMFYSA-N 393.314 4.853 0 40 GJAB Cc1cc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)nc(C(C)C)n1 40096411 LKMUSJNKTOEDOW-UHFFFAOYSA-N 395.551 4.560 0 40 GJAB COc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2F)cc1 40485294 HMYOLBPPIRTQDG-JOCHJYFZSA-N 389.426 4.887 0 40 GJAB COc1cc(OC)c2[nH]c(C(=O)N(Cc3ccc([C@H]4C[C@@H]4C)o3)C3CC3)cc2c1 42058253 MQRWCCUSAATREF-UGSOOPFHSA-N 394.471 4.706 0 40 GJAB CCN(CC)CCN(Cc1cccs1)C(=O)Nc1cccc2cnccc12 43162184 RUPUGVCCPXZIMK-UHFFFAOYSA-N 382.533 4.672 0 40 GJAB Cc1ccc(Sc2ccc(NC(=O)[C@H]3C[C@H]3c3cnn(C)c3)cc2)cc1C 48288176 NDTMPTKFDSYKKL-SFTDATJTSA-N 377.513 4.930 0 40 GJAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccc(OCc2ccccn2)c1 48374349 JOHSEWYHGZYDLA-QGZVFWFLSA-N 385.467 4.562 0 40 GJAB COc1cc(OC)c(NC(=O)Nc2cccc(Br)c2)cc1Cl 51354375 QJBNSTCVESILJY-UHFFFAOYSA-N 385.645 4.764 0 40 GJAB O=C(COc1ccc2ccccc2c1)NCc1ccc(OCc2ccccn2)cc1 55649728 CUDVNICDNFWZGU-UHFFFAOYSA-N 398.462 4.509 0 40 GJAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1C 57486564 LXXUJUFUYAZLFV-UHFFFAOYSA-N 390.418 4.600 0 40 GJAB Cn1ccnc1-c1nc(NCc2ccc(Cl)cc2)ncc1-c1cccc(F)c1 57775457 ZDOTXDFFVDDFJE-UHFFFAOYSA-N 393.853 4.949 0 40 GJAB COc1cc(OC)c(NC(=S)Nc2cccc(Cl)c2F)cc1Cl 71326213 NGBXQBGETLKAKU-UHFFFAOYSA-N 375.252 4.959 0 40 GJAB Cc1ccc(NC(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1Cl 72277778 GRMOKBINKRXOCW-QGZVFWFLSA-N 392.286 4.571 0 40 GJAB Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cnc(Cl)c(C)c2)c1 84210748 HOAAENOWNUHEFQ-UHFFFAOYSA-N 386.904 4.747 0 40 GJAB COc1cccc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)c1OC(F)F 89840218 CVWFMMXNWRHJHG-UHFFFAOYSA-N 390.430 4.521 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\NCc3ccccc3)c3ccccc3C2=O)cc1C 104729148 NDKQCCHBPPIHPI-KQWNVCNZSA-N 382.463 4.621 0 40 GJAB Cc1ccc(N2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)cc1 219857803 CRYJCMKREPWRPW-UHFFFAOYSA-N 391.284 4.752 0 40 GJAB C[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 222657967 VEMSNNHHALUGJW-IPEVAPCJSA-N 385.463 4.876 0 40 GJAB Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)CC2)c1 223223994 UNGUXKLQVWOXHT-LJQANCHMSA-N 376.544 4.573 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc2ccccc2c1 223622315 BAEXFQMJOCZSIR-HXUWFJFHSA-N 383.875 4.846 0 40 GJAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccccc1OC 224573650 OZDWUKWKHXJCLT-UHFFFAOYSA-N 383.488 4.735 0 40 GJAB COc1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 225533336 OTODMHFGJHOFPA-UHFFFAOYSA-N 396.487 4.900 0 40 GJAB O=C(NCc1cccnc1-c1ccncc1)C1c2ccccc2Oc2ccccc21 225748823 DQKHWZOFBCYLHN-UHFFFAOYSA-N 393.446 4.698 0 40 GJAB Cc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1N1CCCC1=O 225870189 FEFBHEUGRVNHSS-UHFFFAOYSA-N 399.585 4.939 0 40 GJAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 244008665 SJMJOQHVFCFKMH-UHFFFAOYSA-N 390.405 4.505 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)SCc2ccccc2)CC1 302969859 RZTYKGSMSRJPNJ-KRWDZBQOSA-N 388.964 4.619 0 40 GJAB COc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccc(F)cc1 408573184 IUZRKJRTNWZBOO-UHFFFAOYSA-N 395.499 4.921 0 40 GJAB COc1ccc(/C=C2/N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)cc1O 408839752 WGMOKJFIKGROQE-MDWZMJQESA-N 399.855 4.922 0 40 GJAB COc1c(Cl)cc(Cl)cc1/C=C1/C(=O)N(C2CCCCC2)C(=S)N1C 409086900 SASKGGVUYDZZOU-DHDCSXOGSA-N 399.343 4.735 0 40 GJAB CN(C)c1cccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 534392857 KTRSCADDVFYZRA-UHFFFAOYSA-N 399.416 4.763 0 40 GJAB CCc1cccc2c(C3CCN(C(=O)Cc4c(C)nn(CC)c4C)CC3)c[nH]c12 585085706 URYVRFSTKCQWFT-UHFFFAOYSA-N 392.547 4.512 0 40 GJAB Cc1cccnc1Nc1cc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)ccn1 585292048 JHBCMVBOYFJJBJ-LEQVUBRHSA-N 398.510 4.948 0 40 GJAB Cc1ccc2c(c1Br)CN(C(=O)Nc1ccn(CCC(C)C)n1)C2 666364697 IBUAGFRQVZADQT-UHFFFAOYSA-N 391.313 4.548 0 40 GJAB Cc1ccc(F)c2oc(C(=O)Nc3ccccc3[C@@H](O)c3ccccn3)cc12 1568596958 LQISHBCLVKJFFJ-HXUWFJFHSA-N 376.387 4.609 0 40 GJAB O=c1cc(-c2ccccc2)oc2c(Br)cc(Br)cc12 637201 OTCPQWYHYLBCIW-UHFFFAOYSA-N 380.035 4.985 0 40 GJAB biogenic,in-vitro COc1ccc(-c2coc3c4c(c(OC)cc3c2=O)OC(C)(C)C=C4)cc1OC 689727 VMYJORXFBILIJU-UHFFFAOYSA-N 394.423 4.670 0 40 GJAB biogenic,in-vitro Cc1cc(C)nc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1 847150 NXHVDKUPXURJPP-UHFFFAOYSA-N 376.696 4.784 0 40 GJAB COc1ccc(OC)c(C(=O)c2sc3nc4cc(C)ccc4cc3c2N)c1 906833 SSQLZGZOVQHTPV-UHFFFAOYSA-N 378.453 4.588 0 40 GJAB CC(C)c1ccc(-c2noc([C@@H]3CCCN(C(=O)Cc4cccs4)C3)n2)cc1 1360073 AQZVZTUZXDXDKD-GOSISDBHSA-N 395.528 4.870 0 40 GJAB COc1cccc(CNc2nc3c(-c4cccc(C)c4)nnn3c3ccccc23)c1 2694185 PNPJBOZTRLRXJE-UHFFFAOYSA-N 395.466 4.874 0 40 GJAB COc1ccc(/C=C/C(=O)OCc2cc(Cl)ccc2OC(F)F)cc1OC 3235964 WSKULTXMXMEKSQ-XBXARRHUSA-N 398.789 4.715 0 40 GJAB Cc1ccccc1Nc1nc(N)nc(CSc2cccc(C(F)(F)F)c2)n1 3440991 UMKWTGVPYPUCAD-UHFFFAOYSA-N 391.422 4.817 0 40 GJAB CCOC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1CCCCC2 4451715 IERDXNGEVCGPHV-UHFFFAOYSA-N 387.501 4.520 0 40 GJAB Cc1ccccc1OC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 4832471 WUQLIJJPZVMJTA-OIRDZHBESA-N 386.447 4.799 0 40 GJAB C[C@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(=O)N1CCCC1 5263328 GLTAOFPURGLJOB-KRWDZBQOSA-N 377.513 4.642 0 40 GJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1 6386518 XUDSBSVXWVNFKE-UHFFFAOYSA-N 395.484 4.688 0 40 GJAB COc1ccc(CN(C)C(=O)COc2ccc(Oc3ccccc3)cc2)cc1 6509636 ZOHXZVVCNZHWBC-UHFFFAOYSA-N 377.440 4.525 0 40 GJAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)c(C)c1 6629952 ILARKPPDPIJYHW-UHFFFAOYSA-N 375.925 4.621 0 40 GJAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 7071400 ZHRGGYMNMKTUAD-GEYIUBJWSA-N 392.480 4.972 0 40 GJAB Cc1ccc([C@H](NS(=O)(=O)c2ccccc2Cl)c2cccs2)cc1 7702470 BQDIYZSWJHNVTE-SFHVURJKSA-N 377.918 4.778 0 40 GJAB CCn1c(SCCOc2ccccc2F)nnc1-c1ccc(Cl)cc1 7785432 MSFZMWVKAZBRTI-UHFFFAOYSA-N 377.872 4.929 0 40 GJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C 8499282 KCYXBAYADBJTCT-UHFFFAOYSA-N 382.504 4.530 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)cc1 9135118 PNLUVZXVUDNCPT-UHFFFAOYSA-N 394.814 4.959 0 40 GJAB O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)Nc1ccccc1 9667366 YQCQVKBKDWGZCE-XMMPIXPASA-N 395.462 4.742 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c2c(C)c(C)sc2n1 9788724 HYWJVJIKKZHORS-OCCSQVGLSA-N 385.558 4.975 0 40 GJAB Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)CC(=O)N4)cs2)oc2ccccc12 9836545 VBKZEHKXQBQCLZ-UHFFFAOYSA-N 389.436 4.612 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)Nc3nc4ccc(F)cc4s3)o2)cc1 11807574 NARYAQIDLXVUJY-UHFFFAOYSA-N 381.432 4.970 0 40 GJAB Cc1nc(-c2nc(NCc3ccncc3)ncc2-c2ccsc2)sc1C 12222927 JORZZFMKRQNSTH-UHFFFAOYSA-N 379.514 4.953 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ncc(Cl)c(Cl)c1Cl 12484354 SUOWMZPHLVFWFN-UHFFFAOYSA-N 385.663 4.813 0 40 GJAB O=C(Nc1cc(Cl)ccc1F)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12763044 KOCIJEQYMUNFGQ-UHFFFAOYSA-N 387.817 4.935 0 40 GJAB COC(=O)c1occc1CSc1nnc(Nc2ccc(C)c(Cl)c2)s1 12807944 CCEKXPJKUNRQAG-UHFFFAOYSA-N 395.893 4.915 0 40 GJAB Cc1cc(C)c2c(C3CCN(C(=O)c4cccs4)CC3)nn(CC(C)C)c2n1 19118903 KQXVGPAWXLMJMP-UHFFFAOYSA-N 396.560 4.785 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 20041570 RWJHIOUVHFEYRW-JOCHJYFZSA-N 394.515 4.726 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1cccc(Cl)c1 20493704 QGLAKWRQSVMRMN-GOSISDBHSA-N 381.900 4.686 0 40 GJAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc2ccccc2o1 21557466 SROSGLFGQDFPTI-XOBRGWDASA-N 398.890 4.718 0 40 GJAB COc1cccc(NC(=O)c2cccnc2Nc2ccccc2Br)c1 22072117 KWGQEQJPGHKSMZ-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB CC(C)c1ccc(CN2CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc1 22802674 MCMBNVLGFJEKHO-QGZVFWFLSA-N 396.560 4.800 0 40 GJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 25388599 NZUGABZAGCIIPR-UHFFFAOYSA-N 393.491 4.558 0 40 GJAB CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1C(C)(C)C 27823423 OYPSGONUYNEJFH-CALCHBBNSA-N 381.582 4.830 0 40 GJAB Cc1nc(C2(NC(=O)CCCSc3ccc(Cl)cc3)CCCCC2)no1 29058221 GSMDVVGFQMBKFK-UHFFFAOYSA-N 393.940 4.880 0 40 GJAB CCCCC(=O)Nc1ccc(NC(=O)c2cccc(OCCC)c2)cc1OC 32115219 FBXUSYLIWWNXOM-UHFFFAOYSA-N 384.476 4.865 0 40 GJAB CCn1cc(/C=C2\C[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 36613014 CCDFNZRIXBXVSZ-CIVKETMESA-N 392.543 4.828 0 40 GJAB CCOc1c(Cl)cc(C(=O)NCCOc2cccc(C)c2C)cc1Cl 41156578 YDFNCCMMRDUFCQ-UHFFFAOYSA-N 382.287 4.818 0 40 GJAB Cc1ccc(Nc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)nn1 49372070 PTYFIBYNLBPGRX-UHFFFAOYSA-N 396.878 4.978 0 40 GJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cc(C)ccc3C)n2)cc1 57486802 HYENYFHVEVUJKR-UHFFFAOYSA-N 386.455 4.769 0 40 GJAB Nc1ccc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)sc2c1 59040730 YDGWAYWHWLJAMA-UHFFFAOYSA-N 399.419 4.508 0 40 GJAB Cc1ccc(C)c(Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)c1 67258314 IXLGGAPRTNLWSR-UHFFFAOYSA-N 396.899 4.532 0 40 GJAB CN(Cc1coc(-c2cccs2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95356870 NGAGYLHIGIGWBX-DOTOQJQBSA-N 395.311 4.800 0 40 GJAB O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 95373584 GGDFFROIMYFVKK-LBPRGKRZSA-N 381.328 4.688 0 40 GJAB CO[C@@H]1CCN(c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2)C1 96122255 APWGLARICLTBLM-LJQANCHMSA-N 392.421 4.502 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3C)CC2)on1 100743847 VTPIZYCPPZFJPB-DZJNRPSUSA-N 396.535 4.609 0 40 GJAB Clc1ccc(C2=C[C@H](c3ccc(Cl)cc3Cl)n3nnnc3N2)cc1 100980130 SMMHLDYYSCNFPL-OAHLLOKOSA-N 378.650 4.689 0 40 GJAB O=C(COc1ccccc1F)NCCSCc1c(Cl)cccc1Cl 222774444 CIRJDEYFFIAHHZ-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB CC[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(C)cc1 223133092 WXJQSUWHETXVAO-LJQANCHMSA-N 375.534 4.865 0 40 GJAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cc(C)cc(C)c1 224200670 MSNWAJQJKDYUFW-UHFFFAOYSA-N 393.458 4.960 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(Br)ccc2Cl)c1 225076846 PLXCCARXOFKIGN-SNVBAGLBSA-N 398.684 4.611 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 225477059 JNTSSVJUHCCRNT-REWPJTCUSA-N 394.559 4.650 0 40 GJAB COc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c(OC)c1 225810036 ZOZKIJUGMNOYRO-UHFFFAOYSA-N 388.508 4.641 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)cc1C(=O)OCC 225838889 VNDKSPUCWISPQC-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(C)n1 225873738 HZOUFDPNGVAYLV-UHFFFAOYSA-N 382.504 4.564 0 40 GJAB Cc1ccc(C2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CCOCC2)cc1 225932855 FHVXCACVLCKRGN-UHFFFAOYSA-N 379.378 4.581 0 40 GJAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 257267828 MIXVHFSLBVEGLR-UHFFFAOYSA-N 379.435 4.512 0 40 GJAB CCn1ccc(C(=O)N2CCCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)n1 257270017 MSLGYOAICDAHOL-QFIPXVFZSA-N 392.478 4.780 0 40 GJAB Cc1ccc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)cn1 257336000 YMSODPVZUCHHNH-RBBKRZOGSA-N 398.934 4.938 0 40 GJAB O=C(O)c1ccc(CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)cc1 408528713 WEBYUKGOOGUDLX-UHFFFAOYSA-N 380.256 4.769 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CN(C2CCCCC2)C2CCCCC2)cc1 408582131 MAZOCOICTMJYLQ-UHFFFAOYSA-N 386.536 4.769 0 40 GJAB COC[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(C(F)(F)F)c1 605309461 JKZRZTOIKDEAHE-QGZVFWFLSA-N 396.796 4.958 0 40 GJAB CCOc1ccc(NC(=O)N2CC(n3c(C(C)C)nc4ccccc43)C2)cc1 1888977236 GUYWGACXCNRFIJ-UHFFFAOYSA-N 378.476 4.647 0 40 GJAB CC1(C)OC(=O)N(c2ccccc2)[C@]12C=Cc1cc(Br)ccc1O2 841167 WCSNQKBIHGGNKD-IBGZPJMESA-N 386.245 4.986 0 40 GJAB COc1ccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)c(OC)c1 976950 VUSKISZEVDJOEQ-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(Br)c1 1302563 HNUXLICNHXVCSB-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB COc1ccc(-c2nc3ncccc3n2OCc2cccc(C(F)(F)F)c2)cc1 1400200 IZXOJVDWQQHRMO-UHFFFAOYSA-N 399.372 4.755 0 40 GJAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(C(F)(F)F)c1 1465409 SABJPKJIGKUTHI-UHFFFAOYSA-N 388.169 4.952 0 40 GJAB Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccc(C(C)(C)C)cc3)ccc12 2094757 HLPQFZFGAZNVOH-UHFFFAOYSA-N 394.467 4.995 0 40 GJAB biogenic COc1cc2c(cc1OC)CN(C(=O)c1cccc(Oc3ccccc3)c1)CC2 2239403 UPTURFGKFJYPTE-UHFFFAOYSA-N 389.451 4.695 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1nc(C)cs1)C3=O 2417041 WQLCJGROKVRRJM-SFHVURJKSA-N 388.448 4.616 0 40 GJAB CSc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 4517503 ADCJEBNDGDEENK-UHFFFAOYSA-N 384.482 4.556 0 40 GJAB Cc1ccc(SCCC(=O)N(CCN(C)C)c2nc3ccccc3s2)cc1 4585251 UUBSLFHXPMLENU-UHFFFAOYSA-N 399.585 4.682 0 40 GJAB CCCCOc1ccc(N2C[C@@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 4600361 WYAICLQHFOAMDN-IBGZPJMESA-N 394.515 4.782 0 40 GJAB Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1N1CCCCC1=O 5441793 PSJSCIHZTJGNQA-UHFFFAOYSA-N 387.277 4.527 0 40 GJAB CC(C)(C)c1nn(-c2ccccc2)c2ncc(C(=O)c3cc(F)ccc3O)cc12 5950581 NAQWBENUIRIINO-UHFFFAOYSA-N 389.430 4.794 0 40 GJAB Cc1cc(NC(=O)COc2cccc(C(F)(F)F)c2)ccc1Br 6231850 YPKVCXYKNQOMEY-UHFFFAOYSA-N 388.183 4.794 0 40 GJAB CC(C)/N=C1\S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)N1C(C)C 6324880 WCWPLGBWJXXNIL-DNLCFCFBSA-N 389.540 4.905 0 40 GJAB COc1ccc(-c2coc3c(C)c(OCCN4CCCCC4)ccc3c2=O)cc1 6758974 RYCOEJKJCCLPME-UHFFFAOYSA-N 393.483 4.642 0 40 GJAB biogenic CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 6942804 IGELXNRYVSCAIR-UHFFFAOYSA-N 390.483 4.887 0 40 GJAB CCOc1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)cc1OCC 6964402 GRFAZYDXWLGIPN-UHFFFAOYSA-N 382.888 4.763 0 40 GJAB O=C(Nc1nc(-c2cccnc2)cs1)c1cc(C2CC2)nn1-c1ccccc1 8026535 GKHMQRUBLLZJHP-UHFFFAOYSA-N 387.468 4.521 0 40 GJAB CCc1cccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 8106004 VHJRTXHZZYDWLD-QGZVFWFLSA-N 380.513 4.644 0 40 GJAB CCCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C1CCCCC1 8645557 LTCDRYUIZSUMNP-UHFFFAOYSA-N 391.537 4.978 0 40 GJAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1sc2ccccc2c1Cl 9701455 ZPDJDQSQZJVJDA-UHFFFAOYSA-N 399.815 4.586 0 40 GJAB C[C@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccc(F)cc1 10237012 VLEYBDDYRGNNGS-ZDUSSCGKSA-N 397.450 4.761 0 40 GJAB COc1ccc(-c2nc(COC(=O)c3ccc(Br)o3)cs2)cc1 10804258 SHXOIFJHOMXHAI-UHFFFAOYSA-N 394.246 4.531 0 40 GJAB O=C(CSc1cc(F)ccc1F)Nc1ccnn1Cc1cccc(Cl)c1 11018675 WOWCCGCTFDEBIQ-UHFFFAOYSA-N 393.846 4.594 0 40 GJAB Cc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@@H](C)O5)on3)sc2c1 11914897 ZRBOAAUADYGIJT-GFCCVEGCSA-N 391.452 4.835 0 40 GJAB COCc1c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)sc2cccc(F)c12 12544369 HYUHTKSTGLOLOF-UHFFFAOYSA-N 381.432 4.829 0 40 GJAB O=C(Nc1ccccc1-c1cccs1)c1ccc(S(=O)(=O)C(F)F)cc1 13986862 QXFGIKGTKDIXAL-UHFFFAOYSA-N 393.436 4.664 0 40 GJAB O=C(/C=C/c1cccc2cccnc12)OCc1nc(-c2cccc(Cl)c2)no1 14855270 BCZSROJPWWVNIT-MDZDMXLPSA-N 391.814 4.695 0 40 GJAB O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1ccco1 16848890 OMHJSBMEVDGFME-UHFFFAOYSA-N 385.876 4.558 0 40 GJAB COc1ccc(CNc2ccc([C@H]3c4ccsc4CCN3C(C)=O)cc2)cc1 19018122 OAACUAWXOBNOKF-QHCPKHFHSA-N 392.524 4.863 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3-c3cc(C)n[nH]3)no2)cc1 19661065 LXJLSHBWPHOGHH-UHFFFAOYSA-N 388.427 4.609 0 40 GJAB c1ccc(Cc2ccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)nc2)cc1 19692292 GRRFRYKWNJRGPK-SANMLTNESA-N 395.506 4.794 0 40 GJAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccc(OC)cc1)C3 20403802 OIJPRIUNLNWEAM-UHFFFAOYSA-N 399.874 4.760 0 40 GJAB Cc1ccc(C(=O)Nc2nn(Cc3cccc(C)c3)cc2Br)cc1 28229089 ZFJXMLAFJYVVIH-UHFFFAOYSA-N 384.277 4.563 0 40 GJAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1cccc(Cl)c1 28229128 HOFVFLDVNCPVFH-UHFFFAOYSA-N 391.805 4.720 0 40 GJAB Cc1cccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)c1 28292444 JGSSTABFCAPNDO-DEOSSOPVSA-N 394.559 4.841 0 40 GJAB CCCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c2ccccc12 31904028 LEKFTZWTIOYIJL-UHFFFAOYSA-N 394.496 4.832 0 40 GJAB O=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1ccc2ccccc2c1 32833738 JPZRSJOYWGMHFS-UHFFFAOYSA-N 390.464 4.615 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]32)C1 39252944 BQIBBYLXJDSLIR-LOQXXAFESA-N 376.537 4.893 0 40 GJAB biogenic O=C(/N=c1\oc(-c2ccccc2)nc2oc(-c3ccccc3)nc12)c1ccccc1 41155019 OQKQZVVURDCQHU-RWEWTDSWSA-N 393.402 4.891 0 40 GJAB O=C(Nc1nnc(-c2cccs2)o1)NC(c1ccccc1)c1ccccc1 44224880 NPUUYAHBQDOXKG-UHFFFAOYSA-N 376.441 4.709 0 40 GJAB CCn1c(-c2ccncc2)nn(CN(C2CC2)[C@H]2CCc3ccccc32)c1=S 48365734 SYUQHXRUDKFILL-FQEVSTJZSA-N 391.544 4.605 0 40 GJAB CCc1cc2c(CN(Cc3ccco3)Cc3cccs3)cc(=O)oc2cc1O 57763547 SWNRZVXNFSEOFH-UHFFFAOYSA-N 395.480 4.918 0 40 GJAB Nc1c(-c2nnc(SCc3ccccc3F)n2C2CC2)sc2ncccc12 64370085 WXKFZBTVGRMCKV-UHFFFAOYSA-N 397.504 4.903 0 40 GJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 69515993 LDKNYMWOHVKQBY-UHFFFAOYSA-N 376.909 4.599 0 40 GJAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 72348655 GAJXOENVGXZYPP-GOSISDBHSA-N 390.458 4.916 0 40 GJAB CC(C)OCCOC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 102363885 IHEDJNKXAOOOEE-PEZBUJJGSA-N 377.440 4.896 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 222643305 CMVKNYGUWDZFJB-IBGZPJMESA-N 385.847 4.888 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C 222870184 YODOSSSLCUCAAU-RTWAWAEBSA-N 382.577 4.998 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 222992538 CXVBOVYPARAFMY-FQEVSTJZSA-N 385.504 4.573 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 225686708 YLMODNZMBMQERF-SANMLTNESA-N 396.534 4.555 0 40 GJAB Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc(Br)c1O 226243064 HVEFSEKOGKRZHR-UHFFFAOYSA-N 378.266 4.604 0 40 GJAB O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 242691145 CWZIYEXXKCMILX-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB O=C(O)CCC[C@H](O)/C=C/C=C/C=C\[C@H](O)C/C=C/CCCCC(F)(F)F 299888806 YKIRCSCMMMEEDI-NZEFRVLXSA-N 390.442 4.701 0 40 GJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)C(Cl)(Cl)Cl)cc3n2)cc1 408619932 DMOCWKZAUNJOCV-UHFFFAOYSA-N 397.693 4.600 0 40 GJAB Cc1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1 409055137 WJSLHADZCBTHNO-IDUWFGFVSA-N 387.844 4.614 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1ncc(C3CC3)o1)CC2 534812292 VYNNPWBAPRWEJC-XMMPIXPASA-N 390.483 4.717 0 40 GJAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCc2ccccc2CC1 604712015 MUMNIUBBHQNYHW-UHFFFAOYSA-N 385.511 4.518 0 40 GJAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N[C@H]1CCSC1 608160292 JDABXMGORHOPGG-INIZCTEOSA-N 386.467 4.667 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cc(F)ccc2F)N1c1cccc(F)c1 1615159110 SYEOCYJCWCFHPV-PMACEKPBSA-N 388.433 4.766 0 40 GJAB COc1cccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 1006676 UYEWKBDCWFCHRC-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB CCOc1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1 3230667 XIPFMMUYRWKRJI-UHFFFAOYSA-N 384.435 4.826 0 40 GJAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)/C=C/c1ccccc1 3350538 HOTXTZZFFKWWBY-DHZHZOJOSA-N 391.298 4.884 0 40 GJAB O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCC(Cc2ccccc2)CC1 4745242 QCVNOWBSLHBOBJ-HSZRJFAPSA-N 394.534 4.519 0 40 GJAB O=c1oc2ccccc2cc1-c1cn2cc(Cc3ccccc3F)sc2n1 5020527 AKTQEYYYFVTLNY-UHFFFAOYSA-N 376.412 4.899 0 40 GJAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2 5136062 GZAAGBMQVBYVKC-UHFFFAOYSA-N 388.467 4.790 0 40 GJAB CC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 6054848 LYWQVDKZVOMLNQ-UHFFFAOYSA-N 382.876 4.750 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 6274720 CZQVDGUDHOJBAT-AWEZNQCLSA-N 375.852 4.703 0 40 GJAB CC(C)N(C(=O)CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O)C(C)C 6327478 YKDOKOWJBNEOOI-UNOMPAQXSA-N 396.512 4.522 0 40 GJAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc2ccccc2c1 6423396 RRHXZWQHLXBSNW-UHFFFAOYSA-N 389.480 4.538 0 40 GJAB O=C(CCCOc1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 6587531 RMKRBXDMENNNHP-GOSISDBHSA-N 396.512 4.668 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)CC[C@H](O)c3ccccc3)sc2C)cc1 6963742 KHKODGXGERBKEV-IBGZPJMESA-N 396.512 4.970 0 40 GJAB O=C(CSc1ncnc2ccccc12)N[C@@H](c1ccccc1)c1cccs1 7151895 LRSXFFZXIZEXLY-FQEVSTJZSA-N 391.521 4.689 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)COC(=O)CSCc1cccc(Cl)c1 7737890 NLGOUNHUNKSBAI-UHFFFAOYSA-N 398.311 4.717 0 40 GJAB CN(CC(=O)Nc1ccccc1Br)Cc1ccc2ccccc2c1 8127550 VXIWTRALMFWEJY-UHFFFAOYSA-N 383.289 4.673 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(Oc2ccccc2)c1 8156448 VGKQZFQSRZGZQH-UHFFFAOYSA-N 397.478 4.996 0 40 GJAB COc1ccc([C@H](CNC(=O)c2oc3ccccc3c2C)N2CCCCC2)cc1 8613323 DSAIVPSHPBSLFT-NRFANRHFSA-N 392.499 4.707 0 40 GJAB COc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1Cl 10213745 OLOZPSDRTRKMRQ-UHFFFAOYSA-N 396.882 4.621 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)c1 10446254 DBNMZMDKDLXGMB-ZDUSSCGKSA-N 377.893 4.944 0 40 GJAB CSc1ccc(Cl)c(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 10544498 NBYGUCQJQFSNNM-CYBMUJFWSA-N 385.920 4.958 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 12062751 LENOIEWMDCUJSU-MRXNPFEDSA-N 395.459 4.548 0 40 GJAB O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 12420858 SGFWKWNXRBEFIE-HXUWFJFHSA-N 384.464 4.683 0 40 GJAB Cc1c(C(=O)N[C@@H](c2ccccc2)c2nccn2C)oc2ccc(Cl)cc12 12602110 HJHZMUNPNDNIEI-SFHVURJKSA-N 379.847 4.648 0 40 GJAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccnn1C1CCCC1 12780951 XATRNSJIHNTYPS-OAQYLSRUSA-N 398.507 4.517 0 40 GJAB Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2ccccc2Cl)c1 12789840 UFJJXEULKGTSSI-UHFFFAOYSA-N 394.858 4.809 0 40 GJAB CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2OCC(F)(F)F)c1 12906987 PBTCXASFWROXMP-UHFFFAOYSA-N 394.393 4.865 0 40 GJAB COc1cccc(CN(C)C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1OC 12911091 VXEHUUKHMBDWRJ-HNNXBMFYSA-N 392.499 4.582 0 40 GJAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(SC(F)F)cc1 13003968 BEVYDCJYSWWTNX-SFHVURJKSA-N 376.472 4.568 0 40 GJAB COc1ccc(/C=C2\CCC[C@H]3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 13122041 GOZPBMCCEGQPIM-IRASXKRZSA-N 392.524 4.958 0 40 GJAB CC(C)[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 14636235 IJCIWJVSRQFWHO-XMMPIXPASA-N 392.499 4.775 0 40 GJAB O=C(OCc1csc(-c2ccsc2)n1)c1cccnc1SC(F)F 14641740 FTTIOMUKFWRFIW-UHFFFAOYSA-N 384.454 4.938 0 40 GJAB CC1=Nc2c(c(C)nn2-c2cccc(F)c2)[C@@H](c2ccc3c(c2)OCO3)S1 15084902 UVHDBALARGVLCE-LJQANCHMSA-N 381.432 4.935 0 40 GJAB O=C1NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S1 17029377 WDYXTDJYJKXEJG-OVCLIPMQSA-N 380.252 4.896 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 18048216 NGKFHWXUNJQCCB-SFHVURJKSA-N 377.488 4.560 0 40 GJAB C[C@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1)c1ccccc1 18120001 XBAKTJNLEVHYFW-KRWDZBQOSA-N 390.458 4.888 0 40 GJAB Cc1cccc(N2C(=O)/C(=C/Nc3ccc(Cl)cc3)c3ccccc3C2=O)n1 18154041 WNKVYZYCCKZKBA-CPNJWEJPSA-N 389.842 4.683 0 40 GJAB COc1cc(CN[C@@H](Cc2ccsc2)c2ccc(C)cn2)cc(OC)c1OC 19215454 DUDLRXWUTZLMQN-IBGZPJMESA-N 398.528 4.551 0 40 GJAB c1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)ccn1 19346365 OPJVEWKOJSTLBX-LJQANCHMSA-N 377.444 4.583 0 40 GJAB Cc1oc(C2CC2)cc1C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 19582550 RUMASHNJNKJXLF-HXUWFJFHSA-N 375.472 4.518 0 40 GJAB Cc1cc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc(C)c1Cl 20144343 NAKZIDVOMVICMC-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB COc1ccc(N2C[C@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCC3)cc1 22407675 RAVJJADOZNNIMP-SANMLTNESA-N 399.514 4.622 0 40 GJAB Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)s1 27602733 BYFLUMXBNCDNEP-FQEVSTJZSA-N 391.540 4.685 0 40 GJAB O=C(c1ccc(Br)o1)N(Cc1ccccc1Cl)c1ccccn1 28291102 GKBXCSXXODBRIR-UHFFFAOYSA-N 391.652 4.938 0 40 GJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3nc4c(s3)CCC4)c12 30692089 LGPPFJVBAKWYHE-UHFFFAOYSA-N 394.431 4.535 0 40 GJAB CC1=C[C@@H](CNCc2ccncc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 30883579 STGVCJTUQLGXKH-ACRUOGEOSA-N 396.579 4.949 0 40 GJAB biogenic,in-vitro O=C(Nc1ccc(F)cc1)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O 33026886 GQOKMRQKXNAJMC-HXUWFJFHSA-N 379.362 4.671 0 40 GJAB CN(C)c1ccc(-c2nc3sccn3c2Nc2ccc3c(c2)OCCO3)cc1 35622397 XIEUEYNYSUINQA-UHFFFAOYSA-N 392.484 4.644 0 40 GJAB CCN(C(=O)c1cc(-c2ccc(OC)cc2)nc2onc(C)c12)c1ccccc1 36617497 VQZAQYHTKFSNSS-UHFFFAOYSA-N 387.439 4.874 0 40 GJAB CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2ccc(F)c(Cl)c2)cc1 40012674 GGJBKKXYJVWNQI-GFCCVEGCSA-N 379.884 4.521 0 40 GJAB O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1Cc1ccccc1 40024904 DBESHZBXVGURBH-HSZRJFAPSA-N 398.441 4.983 0 40 GJAB COc1ccc(Br)cc1CN(C)C(=O)Nc1ccc(C)cc1C 40095435 LFHVLBSGNZYSIU-UHFFFAOYSA-N 377.282 4.738 0 40 GJAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 44839840 VDAHJPLVWMZFEU-QGZVFWFLSA-N 394.515 4.718 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1Cl 44841702 ONYQYJMNRCPTIP-ZDUSSCGKSA-N 377.893 4.944 0 40 GJAB COc1ccc(-c2nc(NC(=O)CCOCc3ccccc3)sc2C)cc1 48260983 INGCJZFMSJYCMB-UHFFFAOYSA-N 382.485 4.673 0 40 GJAB CC(=O)c1ccc(N2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1 57446512 BPXRIECTZXOEPM-UHFFFAOYSA-N 395.890 4.520 0 40 GJAB CC(C)n1ncc2cc(NC(=O)N(Cc3ccco3)Cc3cccs3)cnc21 58166781 IZKCYMUMJIYISI-UHFFFAOYSA-N 395.488 4.901 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(O)c(OCc2ccccc2)cn1 61718691 UMWMWSAVNJLUQL-UHFFFAOYSA-N 389.238 4.925 0 40 GJAB CC(C)(C)C(=O)NC1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 72346379 LVQFTNKBJVLIDG-UHFFFAOYSA-N 377.941 4.595 0 40 GJAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72357616 WTOHCDZTGIWIOB-JOCHJYFZSA-N 390.458 4.797 0 40 GJAB CCOc1ccc(/C=C2/CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1 97993217 NCRHWNDCPOBTAP-LGMDPLHJSA-N 388.467 4.708 0 40 GJAB CSc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(O)CC(C)(C)CC1=N2 102663231 UAKAAXLLJCNBBQ-OAHLLOKOSA-N 376.432 4.586 0 40 GJAB COc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1OC 106685511 BLGPPIXOBZNZKP-YBEGLDIGSA-N 389.860 4.594 0 40 GJAB COc1ccc([C@H]2CCCCN(C(=O)c3cc(Br)cs3)C2)cc1 206886113 FTRHWJNTZREBJG-AWEZNQCLSA-N 394.334 4.929 0 40 GJAB Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)sc2nc3c(cc12)CCC3 215735204 AFDDNGKAPOYYND-UHFFFAOYSA-N 393.390 4.518 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219314002 QTMHWJFNSRQEOD-RTBURBONSA-N 383.488 4.580 0 40 GJAB O=C(CSc1ccc(F)cc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219322075 AJUNORXXHFTGAG-SFHVURJKSA-N 397.487 4.903 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 222887566 TXUWBNNSJXCWJA-QFIPXVFZSA-N 394.515 4.671 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 223245822 WECFMWWQWXOBOA-UHFFFAOYSA-N 383.469 4.905 0 40 GJAB COc1cc(C)c([C@@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1C(C)C 223335561 UFQVWCSWYNFGML-QGZVFWFLSA-N 394.515 4.745 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 224130371 UOTMFYVZUOJFJB-SFHVURJKSA-N 383.532 4.899 0 40 GJAB O=C1CCCN1c1cccc(NC(=S)NCc2ccc(Cl)cc2Cl)c1 225307993 HQHWNEBHZDZSAU-UHFFFAOYSA-N 394.327 4.607 0 40 GJAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C 225584861 TYPXPIFFFRSOSD-UHFFFAOYSA-N 397.515 4.869 0 40 GJAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C 225708224 QGAYKUKNQRUGFQ-KRWDZBQOSA-N 381.545 4.786 0 40 GJAB COc1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1Cl 225770548 SSKAATREBCQADS-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(Cl)c2)cc1Cl 225841634 LANDIFCBIXVJFP-UHFFFAOYSA-N 382.243 4.821 0 40 GJAB CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCC[C@H](C)C1 225853513 SFKDLOHUNSVUPV-KSFYIVLOSA-N 391.508 4.574 0 40 GJAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)C4CCCC4)C3)c2)cc1 257314833 UYRACWOSQMAILP-FQEVSTJZSA-N 378.516 4.962 0 40 GJAB Cc1ccc(-c2nnc(CN(C)C(=O)c3c(Cl)cccc3Cl)o2)cc1 408713916 COPUYFDARAXGQJ-UHFFFAOYSA-N 376.243 4.624 0 40 GJAB CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)NCc4ccccc4)c(N)c3cc2C1 1102104 HAHKLASAYLQZBC-MRXNPFEDSA-N 393.556 4.960 0 40 GJAB Cc1cc2ccccc2n2c(SCC(=O)Nc3ccccc3Cl)nnc12 1223169 MOMXOWPQGXWDCM-UHFFFAOYSA-N 382.876 4.575 0 40 GJAB Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1Cc1ccc(F)cc1 1405159 HGLORBNGWIATEA-UHFFFAOYSA-N 375.802 4.716 0 40 GJAB COc1ccc([C@@H](Nc2cc(C)on2)c2c(C)[nH]c3ccccc23)cc1OC 1448685 KPJGFUBJBWRVFE-JOCHJYFZSA-N 377.444 4.991 0 40 GJAB COC(=O)CSc1nc(O)c2c(n1)-c1ccccc1C[C@]2(C)C1CCCCC1 2293935 BYSUMBFCWPJNLW-JOCHJYFZSA-N 398.528 4.508 0 40 GJAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(c3c[nH]c4ccccc34)c3ccccc32)c1 2337617 WCRQFMVHEJPFAS-VWLOTQADSA-N 382.463 4.567 0 40 GJAB COc1ccc(-c2nn3c(-c4ccc(C(C)(C)C)cc4)nnc3s2)cc1OC 2396216 FRINXYYIUYXLGK-UHFFFAOYSA-N 394.500 4.835 0 40 GJAB CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(C)c(F)c2)c2nc3ccccc3nc12 2424726 NZIKYNVXUDBBDU-CYBMUJFWSA-N 392.434 4.559 0 40 GJAB O=S(=O)(Nc1ccc(Br)cc1)c1cc(Cl)ccc1Cl 2766102 JSTQJPVTDZJSAA-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB CC(C)c1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1 4425557 PYZSZKBZIRDNKB-WQJNHMDYSA-N 397.521 4.837 0 40 GJAB COc1ccc([C@@]2(O)c3cccc(Cl)c3C(=O)c3cccc(Cl)c32)cc1 4666696 XGAIFESAYXLYSE-OAQYLSRUSA-N 385.246 4.831 0 40 GJAB CCc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1 4734720 OUHRORGJKJFLDZ-OAQYLSRUSA-N 375.472 4.839 0 40 GJAB CCCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4816645 ROJUQYRBGAWEOD-MOPGFXCFSA-N 380.879 4.799 0 40 GJAB O=C(NC(NC(=O)c1ccccc1)c1ccc(Cl)cc1Cl)c1ccccc1 4977864 LVTAOSXMCDNGTR-UHFFFAOYSA-N 399.277 4.852 0 40 GJAB CSc1nnc([C@@H]2CCCN2C(=O)N(c2ccccc2)c2ccccc2)n1C 5001569 NLMLJLCJPWSRKO-SFHVURJKSA-N 393.516 4.632 0 40 GJAB COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1O 6180929 KJDCFXZLQMCRLU-UNOMPAQXSA-N 393.489 4.960 0 40 GJAB O=C(NC1CCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 6223119 FPUQIAIJDDTJHL-HSZRJFAPSA-N 394.540 4.523 0 40 GJAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(C)C 7056160 LNVIWRWPMULXBJ-UHFFFAOYSA-N 398.322 4.772 0 40 GJAB O=C(NC1CC1)[C@@H](Oc1ccc(Cl)cc1Br)c1ccccc1 7142264 IUFDULPXRJXBRN-INIZCTEOSA-N 380.669 4.501 0 40 GJAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 7161023 AULYSHVAGQFTET-UHFFFAOYSA-N 397.500 4.774 0 40 GJAB COc1ccc(-c2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1OC 7637982 WDSCFFRNYUDQNJ-UHFFFAOYSA-N 382.485 4.625 0 40 GJAB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc(Cl)cc2F)cc1 7970463 KRHCONXRWVAESV-UHFFFAOYSA-N 376.859 4.535 0 40 GJAB O=S(=O)(Nc1ccc2nc(-c3cccc(Cl)c3)oc2c1)c1ccccc1 8586648 INBOVRBTILYZND-UHFFFAOYSA-N 384.844 4.949 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 9063447 WQPNSZFOZXIGDE-SFHVURJKSA-N 384.951 4.690 0 40 GJAB O=C(c1cc2c(s1)CCC2)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 12598953 ZZBOLLWWTNNAST-AWEZNQCLSA-N 384.526 4.672 0 40 GJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc2ccccc2c1 12654998 BSURXHGEFQLHMW-UHFFFAOYSA-N 377.831 4.815 0 40 GJAB COc1cccc(-c2nc(CN(C)CC(=O)Nc3cccc(C)c3C)cs2)c1 12758324 KTYMYFAWIADFLP-UHFFFAOYSA-N 395.528 4.506 0 40 GJAB CC(=O)N1CCc2cc(NC(=O)c3cc(C)n(C4CCCCC4)c3C)ccc21 12807119 CHJOXRFCJSDIRN-UHFFFAOYSA-N 379.504 4.771 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)C1CCCC1 12814743 JNOFQKOKUPTZDJ-SFHVURJKSA-N 387.405 4.978 0 40 GJAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)[C@@H]2Cc3ccccc3O2)n1 12823799 IOFXZWZVCUELML-SFHVURJKSA-N 375.453 4.542 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(Cl)ccc1F 12844909 ZCLCQHOFYHFJCZ-UHFFFAOYSA-N 376.796 4.584 0 40 GJAB CCc1nc(C)c2c(C)c(C(=O)N[C@H](CC)c3ccc(OC)cc3)sc2n1 12865300 FBDQNVCSLXXOSN-MRXNPFEDSA-N 383.517 4.760 0 40 GJAB O=S(=O)(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccccc1Cl 12878983 MAQCAHZGTIOGRX-KRWDZBQOSA-N 381.881 4.609 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 13654434 VVKCUFSYABWPFB-INIZCTEOSA-N 375.497 4.838 0 40 GJAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C(C)(C)C)cc1 13689638 KUPOINDNHQEQHG-UHFFFAOYSA-N 392.499 4.815 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 14397180 RDFKSKHTVJWCNE-KRWDZBQOSA-N 394.515 4.626 0 40 GJAB Cc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)c1 15883047 JDEFWAPDOROMRS-UHFFFAOYSA-N 384.838 4.558 0 40 GJAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Cl)cc3n2)cc1 20610101 KRFVWSWSSBRXQK-UHFFFAOYSA-N 376.847 4.889 0 40 GJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1nnc(-c2ccccc2)o1 21916537 PCNZZTSLAGPWAN-UHFFFAOYSA-N 390.270 4.635 0 40 GJAB CCn1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c2ccccc21 22234492 LUCYTQAXJQITSC-UHFFFAOYSA-N 394.780 4.946 0 40 GJAB C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(-n2ccnc2)cc1 23564090 SNVOZJJYMDTIAJ-QGZVFWFLSA-N 395.462 4.987 0 40 GJAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCC[C@@H]3c3ccncc3)s2)cc1 25247651 AHTNDTJFICYIFC-LJQANCHMSA-N 393.512 4.711 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1)c1ccco1 25325983 JVMSITWKOGRDBG-LJQANCHMSA-N 378.403 4.648 0 40 GJAB Cc1ccc2nc(NC(=O)CCn3nc(C(F)(F)F)cc3C3CC3)sc2c1 28235766 MJOJLPCNUZTIFW-UHFFFAOYSA-N 394.422 4.726 0 40 GJAB CSCc1nc2ccccc2n1CC(=O)N[C@H](C)c1cc2ccccc2o1 30060642 ILXIZAPYQANMCG-CQSZACIVSA-N 379.485 4.523 0 40 GJAB COc1cc(CCC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1 30115531 CEODFRUUVNCSGD-CYBMUJFWSA-N 381.394 4.533 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)c1nc2ccccc2nc1N1CCCC1 32642819 DRFTZHVWNHZGTL-UHFFFAOYSA-N 386.377 4.501 0 40 GJAB O=C(NCc1ccccc1F)N[C@@H](COc1ccccc1F)c1ccccc1 32937011 XMVWUKAYXIZCEI-FQEVSTJZSA-N 382.410 4.584 0 40 GJAB Cc1ccc(C)c(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCO5)c1 35311084 VOVVGVFXHCYXNT-UHFFFAOYSA-N 391.452 4.630 0 40 GJAB COc1ccc([C@H](NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)C2CC2)cc1 35317029 GBSAEAPJFRMJDK-HXUWFJFHSA-N 393.874 4.687 0 40 GJAB Oc1nc(/C(Cl)=C/c2cnn(-c3ccc(Cl)cc3)c2)nc2ccccc12 40139656 CUSNJVCSSCEIDK-SXGWCWSVSA-N 383.238 4.911 0 40 GJAB CN(C)[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(F)cc1 40157489 ABOMHOFFTWOTKW-HNNXBMFYSA-N 394.874 4.866 0 40 GJAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 45261117 TXQDELCVFOGXQW-GFCCVEGCSA-N 395.833 4.542 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1 45351354 CGFRDTYUPHOYAY-QRQCRPRQSA-N 391.423 4.655 0 40 GJAB Cc1ccc(-c2ccsc2C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 48311414 BVBSJCXPIVVUIS-UHFFFAOYSA-N 387.508 4.898 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3Br)cc2)n1 61108539 IOJMXGDIYFFPAA-UHFFFAOYSA-N 384.277 4.563 0 40 GJAB Cc1ccc(CSc2nc3ccccc3c(=O)n2CCCOC(C)C)cc1 67259107 UPKTWNJHFBAPKU-UHFFFAOYSA-N 382.529 4.812 0 40 GJAB CNc1ncccc1CN1CCC[C@@H](c2cccc(-c3cccc(OC)c3)n2)C1 72350257 LJZVPZIRWYZCIP-LJQANCHMSA-N 388.515 4.574 0 40 GJAB O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccsc1)CC2 96052527 VYJBXBAGTMIPGI-UHFFFAOYSA-N 388.536 4.829 0 40 GJAB O=C(/C=C/c1ccccc1Cl)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119030 ZOHBOACCJVNXDN-KIUWMYQTSA-N 399.903 4.871 0 40 GJAB O=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1cc2ccccc2o1 96119640 KZHWEXYQKXVDOL-UHFFFAOYSA-N 396.406 4.721 0 40 GJAB CO[C@H]1CCN(c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 96122322 IEVAODOZTUCORG-KRWDZBQOSA-N 379.382 4.575 0 40 GJAB O=C1C[C@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccc(Cl)c(Cl)c1 100850455 CXYWYBIOVLQGLH-SFHVURJKSA-N 385.250 4.891 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100950532 XCDXKNDGAJAXEA-RWQQGDIJSA-N 387.401 4.888 0 40 GJAB Cc1cc(NC(=O)CSc2nc(C)c(C)n2[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)no1 103512467 LSWRHAPEBIEXFD-QAETUUGQSA-N 388.537 4.524 0 40 GJAB COc1ccc([C@H]2CCCCN(C(=O)c3sc(-n4cccc4)nc3C)C2)cc1 206882496 YWIZBSDXZWAYCA-SFHVURJKSA-N 395.528 4.661 0 40 GJAB COc1ccc(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1F 206998729 BCNQATYSCDSWCK-GOSISDBHSA-N 379.884 4.808 0 40 GJAB CC(C)c1cc(Br)ccc1NC(=O)c1ccc2c(c1)OCCO2 216096445 QZXZZULBWNMCBB-UHFFFAOYSA-N 376.250 4.596 0 40 GJAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 216240716 MDXGGGGZUNBMEQ-KRWDZBQOSA-N 397.496 4.917 0 40 GJAB O=C(COc1ccccc1F)NCCSCc1ccc(Cl)cc1Cl 222774100 OVJFFTJMIVUSPS-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)c1 223740739 FYACKEGRNSAOHI-HXUWFJFHSA-N 395.543 4.750 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(C)cc1C 224456980 ANQJZXBHCLMHTQ-OAQYLSRUSA-N 377.484 4.809 0 40 GJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)C)c1 224556950 JSOFIFFHYHNMNJ-NHCUHLMSSA-N 392.528 4.650 0 40 GJAB CCc1ccccc1O[C@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224691780 JWBUHPSBDXZXJX-GFCCVEGCSA-N 387.892 4.827 0 40 GJAB CC[C@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccc(OC)c(OC)c1 224695609 QHJLKAGOTXPYAN-JXFKEZNVSA-N 397.515 4.617 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1CN1CCCCC1 224837782 AUFUZLOEWBXZKN-QHCPKHFHSA-N 394.559 4.763 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2ccccc2Cl)c1 225541099 QDHISLXHKYDDSI-UHFFFAOYSA-N 397.327 4.699 0 40 GJAB COC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OC 225684375 KOECGRGWVLLUCW-UHFFFAOYSA-N 387.863 4.586 0 40 GJAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2c1 226036850 NJFVFWVRYUOTMD-UHFFFAOYSA-N 385.419 4.933 0 40 GJAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260812467 BZNMRHAHOPRWJI-WMZHIEFXSA-N 390.568 4.577 0 40 GJAB Cc1ccc(OCC(=O)NCCSCc2c(F)cccc2Cl)cc1C 408705948 RANSQLWXBIDRMZ-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB Cc1ccc(CN2C(=O)N/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1 409232519 QNYNOWBVOOOLBK-PXLXIMEGSA-N 384.435 4.880 0 40 GJAB O=C(CSc1cccs1)Nc1ccc(-c2nc(-c3ccco3)no2)cc1 559976535 BKYMCPBJVRSTQQ-UHFFFAOYSA-N 383.454 4.789 0 40 GJAB C[C@H]1CCc2c(sc3nc(-c4cc5ccccc5oc4=O)nc(S)c23)C1 575616648 VUBIXRNCHUSZAD-JTQLQIEISA-N 380.494 4.878 0 40 GJAB O=C(CCc1ccc(F)c(Cl)c1)N[C@@H](c1cccs1)C1CCOCC1 585149465 UUYQDTCFUCDUPQ-LJQANCHMSA-N 381.900 4.757 0 40 GJAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCO[C@H](c2cccc(F)c2)C1 589719635 LHBFHPBBOPRBKM-NRFANRHFSA-N 384.451 4.753 0 40 GJAB CCOCc1cccc(NCc2ccc(OCCn3ccnc3)c(Cl)c2)c1 1657465580 JBBMWPKCPCLMQD-UHFFFAOYSA-N 385.895 4.764 0 40 GJAB C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Br)ccc1Br 1017161 BNOBQQUDCIVBRE-ZANVPECISA-N 375.104 4.520 0 40 GJAB CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(O)c1 1204278 PTDFZLDAGLMJCC-UNOMPAQXSA-N 398.553 4.640 0 40 GJAB Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccco2)cc1 1346767 JGLBCQLLUUJOIX-UHFFFAOYSA-N 386.451 4.581 0 40 GJAB O=C1O[C@@H](c2ccc(Br)cc2)C2(CCCC2)C(=O)C12CCCC2 1440402 CUZBXCADALNELD-HNNXBMFYSA-N 377.278 4.737 0 40 GJAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1OC 2271438 CYEWXZDUNWIHRJ-OAQYLSRUSA-N 378.403 4.614 0 40 GJAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 2442031 KWECUZYQEFHBJX-INIZCTEOSA-N 381.907 4.852 0 40 GJAB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)Nc1ccccc1 2624653 ZVPHYWUERHUDOF-UHFFFAOYSA-N 379.416 4.515 0 40 GJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N2CCCCCC2)cc1 3215853 YSKFCXRMOQGRJW-UHFFFAOYSA-N 396.512 4.863 0 40 GJAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 3238970 ZNDLLXWUJXJTHB-UHFFFAOYSA-N 382.504 4.626 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1 3381802 ABLLXKZALHLOOP-FMIVXFBMSA-N 380.831 4.515 0 40 GJAB Cc1cccc(C)c1NC(=O)Cn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 4450126 LKHLUGBLCUTOBW-UHFFFAOYSA-N 388.389 4.950 0 40 GJAB Cc1cc(C)cc(-c2nnc(S[C@@H](C)C(=O)NCCC3=CCCCC3)o2)c1 5219464 ARPAXTORQOXIMU-INIZCTEOSA-N 385.533 4.841 0 40 GJAB C[C@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc(F)c(F)c1F 5362074 BYWZDCYUHWUUJO-JTQLQIEISA-N 397.418 4.618 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(F)c2)N1Cc1ccccc1 5561357 WXGSHPMCCDRMCR-NRFANRHFSA-N 385.394 4.678 0 40 GJAB Cc1ccc(NC(=O)CCNC(=O)C(c2ccccc2)c2ccccc2)cc1C 5753807 TXSXSWHHADMLSS-UHFFFAOYSA-N 386.495 4.580 0 40 GJAB CC(C)c1ccccc1NC(=O)Cn1nc(COc2ccccc2)oc1=S 6347846 QZFUYUIQLVYXPB-UHFFFAOYSA-N 383.473 4.547 0 40 GJAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 6479862 KDYINGRDSGDLSU-UHFFFAOYSA-N 393.508 4.838 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCc3ccccc32)cc1 6590811 YMSWWHDUDSAQQE-UHFFFAOYSA-N 395.462 4.751 0 40 GJAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 6880821 UHLZLZNFIHMWHZ-UNOMPAQXSA-N 378.453 4.584 0 40 GJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Br)c(C)n2)cc1 6938359 FFDOTONOSOXPDX-GFCCVEGCSA-N 377.282 4.684 0 40 GJAB COc1ccccc1/C=C/C(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1 7507579 AUKACQZUHGRTLZ-FOCLMDBBSA-N 387.435 4.704 0 40 GJAB O=S(=O)(N[C@@H](c1ccccc1)c1cccs1)c1ccc(Cl)cc1F 7702202 IKDZKSPPGLCCHY-KRWDZBQOSA-N 381.881 4.609 0 40 GJAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(F)c(F)c1 8000746 BZILMIRFCGTPHI-IBGZPJMESA-N 390.480 4.674 0 40 GJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 8273374 HUJLHYVGJMDLBU-MDWZMJQESA-N 379.891 4.933 0 40 GJAB COc1cc(NC(=O)CSCc2cccc(Cl)c2)c(OC)cc1Cl 8313572 GTACEONTVJPUEH-UHFFFAOYSA-N 386.300 4.883 0 40 GJAB Cc1ccc(CSc2nc(CC(=O)NCc3ccc(F)cc3)cs2)cc1 8936271 CLPUUCKIPWMOON-UHFFFAOYSA-N 386.517 4.742 0 40 GJAB CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1Cl 10943146 FAEOTNKXCXNHPX-SECBINFHSA-N 384.238 4.530 0 40 GJAB COc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)c2ccccc12 11566439 WMKQZSJMTIYZMD-UHFFFAOYSA-N 383.252 4.923 0 40 GJAB COc1cccc(C(=O)Nc2nc3ncccc3cc2-c2ccccc2)c1OC 11695923 DTPDXTGMDCSPOQ-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB O=C(c1ccccc1-c1cc2ccccc2c(=O)o1)N1CCc2ccccc2C1 11867276 PLASVGXWRZCNAC-UHFFFAOYSA-N 381.431 4.659 0 40 GJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCc1ccco1 12552796 ZWZLXOWKSBFFKN-UHFFFAOYSA-N 385.467 4.724 0 40 GJAB COc1ccc(SCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cc1 12753774 PXDBWYMPGCUPPU-NRFANRHFSA-N 385.529 4.940 0 40 GJAB c1ccc2c(c1)O[C@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 13036187 IDJMWUPOOHOZJT-LAUBAEHRSA-N 376.437 4.719 0 40 GJAB CC(=O)NCCCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl 13494659 LPOALZCYOJOOSQ-UHFFFAOYSA-N 387.886 4.726 0 40 GJAB Fc1ccc(-c2nn3c(-c4ccccc4F)nnc3s2)cc1Br 13692786 YEVANGIPBHAZIA-UHFFFAOYSA-N 393.216 4.561 0 40 GJAB Cc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCC(C)CC2)o1 15860531 UJFICGGRYIZJKS-KRWDZBQOSA-N 399.516 4.508 0 40 GJAB O[C@H](COc1ccccc1)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 15860785 JLZXMZIVFSHDNO-IBGZPJMESA-N 392.886 4.720 0 40 GJAB CCC(=O)N1CCCc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 17248089 RMHFANLDDLDYHD-UHFFFAOYSA-N 376.378 4.647 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(-c2ccc(CO)o2)c1 20144224 NZQPZHLYKNCCMS-UHFFFAOYSA-N 392.238 4.763 0 40 GJAB COc1ccc(CN(C)C(=O)/C(=C/c2ccccc2)c2ccccc2)cc1OC 20485538 PNXZNEIZOMLVRR-CJLVFECKSA-N 387.479 4.903 0 40 GJAB CC[C@@H](NC(=O)c1cc(Br)c(O)c(OC)c1)c1ccc(Cl)cc1 24964782 OHMNOEAVSWFTDZ-CQSZACIVSA-N 398.684 4.698 0 40 GJAB CCCC[C@@]1(c2ccccc2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 25515079 CKRDIVKXZXJDPR-NRFANRHFSA-N 395.484 4.541 0 40 GJAB Cc1ccc(C)c(-n2c(SCc3cc(C)no3)nc3ccccc3c2=O)c1 32393009 LTHFVKGZWJGMOP-UHFFFAOYSA-N 377.469 4.591 0 40 GJAB Cc1nc2ccccc2n1CCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 32900453 FXOAXJWWIFCJEN-CQSZACIVSA-N 387.936 4.685 0 40 GJAB Cc1cc(C)cc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)c1 33063767 PJQTUCKCKJVCJY-UHFFFAOYSA-N 380.513 4.634 0 40 GJAB CCOC(=O)C1=C(C)N[C@@H]2CC(C)(C)CC(=O)[C@H]2[C@H]1c1cccc2ccccc12 36425511 VJGOHOLAAFENKA-OIBXWCBGSA-N 391.511 4.738 0 40 GJAB O=C(CCc1ccccc1Cl)NCc1cccc(C(=O)Nc2ccccc2)c1 40106732 DBPMNISRAWMSQL-UHFFFAOYSA-N 392.886 4.841 0 40 GJAB Cc1occc1-c1nnc(S[C@@H](C(=O)N2CCCc3ccccc32)C(C)C)o1 42982001 SHLTXNCGBRMYKG-GOSISDBHSA-N 397.500 4.734 0 40 GJAB COc1ccc(C)cc1/C=C/C(=O)Nc1ccccc1-c1nc(C(C)C)n[nH]1 58161374 DHAXQYQKHBUWCM-ZRDIBKRKSA-N 376.460 4.564 0 40 GJAB Cc1csc2nc(CSCc3csc(C4CCCC4)n3)cc(=O)n12 64612133 RDOKFDAGRBYLEB-UHFFFAOYSA-N 377.560 4.612 0 40 GJAB O=C(NC[C@@H](O)c1cccc2ccccc12)NC(c1ccccc1)c1ccccc1 70636319 AKSBBZPUSYEJPC-XMMPIXPASA-N 396.490 4.962 0 40 GJAB FC(F)(F)c1nnc(C2CCN(Cc3csc(-c4ccccc4)n3)CC2)o1 77198037 NICDADVLNUHQTJ-UHFFFAOYSA-N 394.422 4.592 0 40 GJAB O=C(Nc1ccc2c(c1)OCCO2)N(CCc1ccccc1F)C1CCCC1 78716658 XEBDYEJTZRAPQT-UHFFFAOYSA-N 384.451 4.616 0 40 GJAB Cc1ccc(Oc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)cn1 95957747 CJPAQRPVORKJIE-UHFFFAOYSA-N 376.485 4.916 0 40 GJAB Cc1sc(NC(=O)c2ccnn2C(C)C)nc1-c1ccc(OC(F)F)cc1 95967293 OCEGOAYAWHMHKH-UHFFFAOYSA-N 392.431 4.750 0 40 GJAB Cc1nc(C(=O)NCCCCCc2nc3ccccc3n2C)c(C(C)C)s1 96223441 XPVPXEFUIKEFBE-UHFFFAOYSA-N 384.549 4.604 0 40 GJAB CCOc1ccc2nc(SCC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)sc2c1 102149536 PBYJSOJWOHOJEY-HOSILWTGSA-N 390.574 4.728 0 40 GJAB Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)s1)N1CCCCC1 199405144 ZOWSXVWABNEBDV-SFHVURJKSA-N 387.940 4.569 0 40 GJAB Cc1ccccc1NC(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220936177 CZALXTUODBLSFA-HNNXBMFYSA-N 382.489 4.593 0 40 GJAB Cc1cc(OCC(=O)NCCOc2ccccc2C(C)(C)C)cc(C)c1Cl 223704577 FQGYVUGSSZJGPT-UHFFFAOYSA-N 389.923 4.828 0 40 GJAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(C)cc(C)c1 224319252 SGHYIOVKRGJWRK-LEWJYISDSA-N 376.529 4.697 0 40 GJAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)c(Cl)c2)c(Cl)c1Cl 224623481 MTYGPIRJAWHPAJ-UHFFFAOYSA-N 394.707 4.789 0 40 GJAB CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 257173717 VOGZOQZBHKOREB-RYGJVYDSSA-N 384.545 4.600 0 40 GJAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c5ccccc45)OCC[C@@]31C2 257211110 BXNIVHNGBCFNEI-ZFESTQQNSA-N 393.527 4.954 0 40 GJAB Cc1cc([C@@H]2CCCCN2C(=O)c2cccc(F)c2)nc(-c2c(C)noc2C)n1 257290962 QFAUGUKFZINYEK-IBGZPJMESA-N 394.450 4.563 0 40 GJAB CCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1 409104221 GPVUEMCTVPRIAV-UHFFFAOYSA-N 380.517 4.703 0 40 GJAB COCCCN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O 409242446 NPAJBDFGGDWFKF-NBVRZTHBSA-N 385.510 4.911 0 40 GJAB CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)c2cccc(C(F)F)c2F)cc1 528317132 NZAILSGFKWLVQD-UHFFFAOYSA-N 399.434 4.729 0 40 GJAB O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N1CCCc2n[nH]cc21 567676871 KIOPGBHVVATPKC-UHFFFAOYSA-N 385.798 4.890 0 40 GJAB C[C@@H](NC(=O)N[C@@H]1CCCCc2cc(Br)ccc21)c1cscn1 661639959 WVJDERCSGFQVCX-IAQYHMDHSA-N 394.338 4.734 0 40 GJAB O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 681696136 QZKQQYXDKLSFON-JTHBVZDNSA-N 382.463 4.583 0 40 GJAB Cn1nc(C2CC2)cc1CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 1538316940 NFRYBMSONREOSO-UHFFFAOYSA-N 399.416 4.913 0 40 GJAB COc1ccc(-c2nn(CN3CCCCCC3)c(=S)n2-c2ccccc2)cc1 662771 ZJTNSYUZTRNFLE-UHFFFAOYSA-N 394.544 4.912 0 40 GJAB O=C1CS[C@@H](c2ccc(Br)cc2)N1c1nc2ccccc2s1 1084493 URVIYCUUDYECQL-HNNXBMFYSA-N 391.315 4.837 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)[C@H](C)Oc2ccccc2)CSC3)c(C)c1 3008386 QWZPMBFFFMLRBM-INIZCTEOSA-N 393.512 4.642 0 40 GJAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(SC(F)F)cc1 3311847 GQOGWBHAIZZCNZ-UHFFFAOYSA-N 387.407 4.950 0 40 GJAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)C1(c2ccccc2)CC1 3423840 XRFFQBFKBIDRGQ-UHFFFAOYSA-N 395.890 4.860 0 40 GJAB O=C(N1CCN=C1SCc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 4120598 LKCALGNNSDIWGC-UHFFFAOYSA-N 388.964 4.988 0 40 GJAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)cc1 4287786 AJTGLLMEYPIMLV-GFCCVEGCSA-N 387.892 4.508 0 40 GJAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 4384826 MTFOXLQHOQKEPO-UHFFFAOYSA-N 383.812 4.966 0 40 GJAB CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl 4597484 YJFHVFKFUUPFDZ-FQEVSTJZSA-N 394.906 4.847 0 40 GJAB O=C(OCc1ccc(I)cc1)C12CC3CC(CC(C3)C1)C2 4690360 PIUVDJURCPOGLG-UHFFFAOYSA-N 396.268 4.551 0 40 GJAB COc1ccc(CN(Cc2ccco2)C(=O)c2cc3ccc(OC)cc3[nH]2)cc1 5245828 IJCWQDSIFXNXKT-UHFFFAOYSA-N 390.439 4.621 0 40 GJAB CCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 5857448 VYQMWEGQOBVGBN-UHFFFAOYSA-N 395.484 4.607 0 40 GJAB CN(Cc1ccco1)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12 6114622 BGZGBVOPSNGODL-UHFFFAOYSA-N 395.509 4.702 0 40 GJAB Cc1n[nH]c(S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)O)n1 6588301 JCFIPFFHLOVNIZ-AUWJEWJLSA-N 396.255 4.898 0 40 GJAB Cc1ccccc1COc1ccc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 6678677 HNEYYCUGRIDJQP-MGPUTAFESA-N 393.512 4.769 0 40 GJAB Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)cc1 6966493 PZIAWSZSLICDKM-UCQKPKSFSA-N 399.494 4.804 0 40 GJAB CN1CCN(c2ccccc2NC(=O)CC(c2ccccc2)c2ccccc2)CC1 7105808 POBWAXUHLNSALS-UHFFFAOYSA-N 399.538 4.599 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccccc1Cl 8481278 RDFGICKVLQWPLN-IBGZPJMESA-N 377.937 4.855 0 40 GJAB COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1 9427678 LUTTUNHJKRLDEA-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Cc1cccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)n1 12223578 GTKKQFUQYKGJBF-UHFFFAOYSA-N 377.473 4.561 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC=C(c2ccccc2)CC1 12796000 SRJXYPXTLGNAEB-OAHLLOKOSA-N 386.289 4.532 0 40 GJAB CCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3Cl)c2c1C 13038632 IDIMMSJDQCICOP-UHFFFAOYSA-N 389.908 4.775 0 40 GJAB Cc1ccc([C@@](O)(CNCc2ccccc2)c2ccc(Br)cc2)cc1 19205335 XYPQNHOULXSCBA-QFIPXVFZSA-N 396.328 4.783 0 40 GJAB Nc1ccc(-c2ccc(C3CCN(Cc4ccnc5ccccc45)CC3)nc2)cn1 19689076 GGZDGLZDKCYBPS-UHFFFAOYSA-N 395.510 4.654 0 40 GJAB CC(=O)N[C@@H](C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCCC1 21843817 ZABNMZUQQSNHPC-HXUWFJFHSA-N 393.512 4.597 0 40 GJAB C[C@@H](OC(=O)CCc1ncc(-c2ccccc2)o1)c1nnc(-c2ccccc2)o1 22613674 YNLGQURWCXNXIE-OAHLLOKOSA-N 389.411 4.629 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2)C1 25512111 PBTMVXLRLACJHC-TZIWHRDSSA-N 396.918 4.556 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)no2)cc1 27747376 MEBXKGMWEJCMBS-UHFFFAOYSA-N 387.233 4.755 0 40 GJAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)c3ccccn3)no2)cc1 27749937 NJSDJRVMQLAXEC-UHFFFAOYSA-N 399.450 4.982 0 40 GJAB CC[C@H](NC(=O)CCn1nc(C(F)(F)F)cc1C1CC1)c1ccc(C)cc1 28236777 AJISBLHILHDVGB-INIZCTEOSA-N 379.426 4.745 0 40 GJAB CC[C@@H](NC(=O)c1ccn(COc2ccccc2Cl)n1)c1ccc(C)cc1 28239097 JWZFXYZHLKYFDY-GOSISDBHSA-N 383.879 4.763 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1 29352728 YFYMLSYBUCVTNK-UHFFFAOYSA-N 384.461 4.738 0 40 GJAB CCOc1ccccc1-c1noc(CSCC(=O)Nc2c(C)cccc2C)n1 31419276 XPGBATBKWNHNKB-UHFFFAOYSA-N 397.500 4.624 0 40 GJAB COc1ccc(-c2nc(CSCC(=O)N3c4ccccc4C[C@H]3C)co2)cc1 31424430 CDSVYPOXAKKNBJ-OAHLLOKOSA-N 394.496 4.561 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)COc3cccc(F)c3)sc2C)cc1 32981888 MMYQTBBUPUMFJK-UHFFFAOYSA-N 386.448 4.674 0 40 GJAB O=C1OC(c2ccccc2Cl)=N/C1=C\C(Br)=C/c1ccccc1 33527246 QDROBGFAHMHAME-VKDWSQHSSA-N 388.648 4.963 0 40 GJAB CCCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)s1 39989178 CXMQSGUPIGHJSJ-ZDUSSCGKSA-N 379.551 4.878 0 40 GJAB CCOC(=O)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 49649292 IOMCEWQTDYRYSG-QFIPXVFZSA-N 380.532 4.945 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)c3ccccc3N2)cc1 58786867 XAOOJUVUMCMYDA-HSZRJFAPSA-N 380.451 4.702 0 40 GJAB CCOC(=O)/C=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 62714998 XEUXUMDZBZMFFM-MDZDMXLPSA-N 391.261 4.613 0 40 GJAB Cc1c(Br)cccc1NC(=O)Nc1ccccc1O[C@@H]1CCOC1 79107022 IPXCIUMWSZJVRW-CYBMUJFWSA-N 391.265 4.569 0 40 GJAB COc1ccc(OC)c([C@@H]2CC(c3ccccc3O)=N[C@@H](c3ccccc3)N2)c1 80325061 VFFVWMVIOSXMPN-XUZZJYLKSA-N 388.467 4.632 0 40 GJAB CC(C)(C)OC(=O)N1CCCC[C@@H]1CSc1cccc(Br)n1 83323383 SISNUJNWHZSMAF-GFCCVEGCSA-N 387.343 4.726 0 40 GJAB CCCCOc1ccccc1-c1cc(C(=O)Nc2cc(OC)ccc2OC)[nH]n1 90610269 MBHMXWMSZUQNPR-UHFFFAOYSA-N 395.459 4.525 0 40 GJAB CC[C@H](C)Sc1ccc(NC(=O)N[C@H]2CCCC3(C2)OCCO3)c(C)c1 96006822 ZDABIBOVMRZBKN-HOTGVXAUSA-N 378.538 4.693 0 40 GJAB CCc1nn2c(=O)cc(CSc3ccc(C)cc3)[nH]c2c1-c1ccc(F)cc1 100071919 LNJPEJKRHCHQPG-UHFFFAOYSA-N 393.487 4.992 0 40 GJAB CCOc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)c(C)cc1OC 100765770 DANJXONNGUFQRI-SFTDATJTSA-N 399.506 4.556 0 40 GJAB Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c2c(-c3ccc(F)cc3)noc2n1 101986985 ZPYCPBKYWRMZBQ-GZOSKZMVSA-N 393.462 4.892 0 40 GJAB CSc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1 106781841 PYOREHDSLJDLKA-AQTBWJFISA-N 385.510 4.832 0 40 GJAB CN(Cc1cc(-c2ccccc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108339403 XCECVQGRQPERES-WOJBJXKFSA-N 389.282 4.739 0 40 GJAB CC[C@@H](NC(=O)c1cc2ccccc2cc1OC)c1ccc(OC)c(OC)c1 219394785 TZTIMLNQDILPBD-LJQANCHMSA-N 379.456 4.747 0 40 GJAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)/C=C\c3cccs3)C2)n1 220792954 UPAQEIBZAHFVSS-MQNTZWLQSA-N 393.512 4.601 0 40 GJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccccc1 223318226 HIWJIPQWEBIVII-NCJDQSJGSA-N 388.467 4.626 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 223693458 PBISWVVJPHLWTO-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB O=C(NCc1ccccc1CN1CCCC1)/C(=C/c1ccco1)c1ccccc1 224758665 LQQUYGALZUUFKW-JJIBRWJFSA-N 386.495 4.732 0 40 GJAB CCOC(=O)c1c(NC(=O)CCc2ccccc2F)sc2c1CCCC2 224790596 VBLOTYAOPAZQRT-UHFFFAOYSA-N 375.465 4.514 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 224989997 YMJFJEBRGRCJGP-UHFFFAOYSA-N 375.852 4.621 0 40 GJAB CCOc1ccc(CCCNC(=S)Nc2ccc(OC)c3ncccc23)cc1 225624118 LBHXBJVJSHMMDQ-UHFFFAOYSA-N 395.528 4.561 0 40 GJAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(=O)OC 225679747 GFIVFTDIUDZZBV-UHFFFAOYSA-N 381.472 4.631 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCC(C)CC1 225720536 SBORCZSHFAVTHB-UHFFFAOYSA-N 390.568 4.721 0 40 GJAB O=C(Nc1ccccc1C(F)F)N1CCOC[C@@H]1c1nc2ccccc2s1 570957121 DRFYHNQVFSFDSR-OAHLLOKOSA-N 389.427 4.839 0 40 GJAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CC1CCCC1)C2 643575737 JRJHZWRXEVXZTJ-YADHBBJMSA-N 383.580 4.653 0 40 GJAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN1C[C@H](C(=O)O)CC1=O 1738810157 OSCLBPZLTFWPAD-PLUJKLCDSA-N 397.559 4.753 0 40 GJAB O=C(N[C@H](Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1)c1ccco1 631499 CEDYVBCOAMEQIU-SFHVURJKSA-N 389.238 4.637 0 40 GJAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1ccc(Cl)c(Cl)c1 869745 KTVOLDZOCWKIGU-UHFFFAOYSA-N 392.208 4.726 0 40 GJAB Cc1cccc(C)c1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3 1255328 RHCIDPXVWZZEMU-UHFFFAOYSA-N 393.512 4.903 0 40 GJAB Cc1sc(NC(=O)C2CC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C 1366777 SVNLRPGNJMXOOK-UHFFFAOYSA-N 397.544 4.792 0 40 GJAB COc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)c1 2264953 CWQCFNHVYUHARW-UHFFFAOYSA-N 377.256 4.835 0 40 GJAB CCCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 2417465 RPHMJXWONGRKII-ROUUACIJSA-N 395.894 4.816 0 40 GJAB CC(C)(C)C(=O)COC(=O)CSc1ccc2ccccc2c1Br 3217598 ZOOFVGQBRRFKEL-UHFFFAOYSA-N 395.318 4.853 0 40 GJAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccccc1Cl 3220132 YFJLPEDRRYRQDZ-UGSOOPFHSA-N 394.298 4.881 0 40 GJAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc(F)c(Cl)c1 3239166 ZZFJQIJADVQOES-UHFFFAOYSA-N 393.817 4.612 0 40 GJAB CC(C)Cn1c(SCc2nc3ccccc3s2)nc2ccccc2c1=O 3321086 HGYAFRIFLXGDLJ-UHFFFAOYSA-N 381.526 4.955 0 40 GJAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1 3418631 XEABTLKNIJTQTO-UHFFFAOYSA-N 397.500 4.514 0 40 GJAB O=C(Nc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1)c1cccs1 3534334 XHDMPTHCRRRDGI-UHFFFAOYSA-N 398.443 4.954 0 40 GJAB CCSc1nnc(NC(=O)CSc2c(Cl)cccc2Cl)s1 3592275 RVVLUPOXMGPVRA-UHFFFAOYSA-N 380.347 4.688 0 40 GJAB CC(C)(C)C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 4244430 HGJHDBGZBCJOCI-UHFFFAOYSA-N 383.492 4.840 0 40 GJAB Clc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1 4279463 PHKYMQGLMUFKFZ-UHFFFAOYSA-N 381.642 4.529 0 40 GJAB aggregator CC(=O)Nc1ccc2sc(NC(=O)CC34CC5CC(CC(C5)C3)C4)nc2c1 4695547 KZXHTSKKBXJQMX-UHFFFAOYSA-N 383.517 4.800 0 40 GJAB CSc1cccc(NC(=O)COC(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 4779077 WKCUBGWENWRLHR-JXMROGBWSA-N 395.402 4.622 0 40 GJAB CC(C)Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1-c1ccccc1 4891151 YBTUTKPNLOKJMB-UHFFFAOYSA-N 397.478 4.646 0 40 GJAB Cc1ccc2nc(-c3cccnc3SCC(=O)N3C[C@@H](C)C[C@H](C)C3)[nH]c2c1 4903329 YZTZQMGFMBTVGE-HOTGVXAUSA-N 394.544 4.530 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(F)cc1)CC2 4949006 JRVICUMAAIXZBF-OAQYLSRUSA-N 397.471 4.692 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 5099308 OVZKLRFSLITUHW-UHFFFAOYSA-N 392.499 4.807 0 40 GJAB O=C(c1ccccc1F)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 5142021 IIVNKUCCLNLBMC-UHFFFAOYSA-N 381.407 4.817 0 40 GJAB CCCc1cc(Nc2ccc(NC(C)=O)cc2)n2nc3nc(C)cc(C)c3c2n1 5348775 PGPHBXLQWLOAGC-UHFFFAOYSA-N 388.475 4.549 0 40 GJAB CC[C@H](C)c1ccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)cc1 5415161 FIXZYQHEUKDQGK-HNNXBMFYSA-N 395.532 4.523 0 40 GJAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(Cl)cc1Cl 5581456 HNXWKTWKDJZBNE-UHFFFAOYSA-N 391.279 4.979 0 40 GJAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Nc1cccc(C(F)(F)F)c1 5750856 AUTUDPBMJAOGQU-PKOBYXMFSA-N 389.421 4.854 0 40 GJAB Cc1noc(C)c1CSc1nnc(-c2cccs2)n1Cc1ccccc1 6200482 YFIOVTAIBWFHNG-UHFFFAOYSA-N 382.514 4.952 0 40 GJAB C[C@@H](Nc1ccccc1Oc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 6652044 QLPOOUFTUBJFCI-MRXNPFEDSA-N 390.439 4.689 0 40 GJAB CCCN1C(=O)S[C@H](Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 6879254 AMFBANLQSDBTQE-HXUWFJFHSA-N 399.512 4.599 0 40 GJAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccc(Cl)cc1Cl 6881143 SDZGICZGULTBNP-ABAIWWIYSA-N 397.327 4.537 0 40 GJAB Cc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)cc1 6901718 QPGVFZICRVDUTJ-UHFFFAOYSA-N 393.450 4.869 0 40 GJAB O=C(CCc1cccs1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 7987564 UUNJICKSPALENJ-HXUWFJFHSA-N 375.497 4.657 0 40 GJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)cc3)cc21 8959954 DGNLFSPVGSPENO-UHFFFAOYSA-N 398.478 4.876 0 40 GJAB Cc1cn2c(/C=C/C(=O)N(C)[C@H](C)c3nc4ccccc4s3)c(C)nc2s1 12525354 LGWWWJFBXGEPPQ-ATWMFIQVSA-N 396.541 4.855 0 40 GJAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nnc(-c2ccccc2)n1C 12656138 GSCFOBIGTCHCFF-SZMVWBNQSA-N 387.549 4.578 0 40 GJAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(OC(F)F)cc1 12908110 JNCUNGKTOQEFIX-UHFFFAOYSA-N 399.393 4.688 0 40 GJAB O=C(CSc1nnc(NC2CCCCC2)s1)N1CCC[C@@H]2CCCC[C@@H]21 12971976 JJVOZFMAJQQQMG-HOCLYGCPSA-N 394.610 4.556 0 40 GJAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccnc2)c(C)c1 13685926 ZJSGQOZXSPXEAS-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB COCCN1C(=O)C(C)=C(C)[C@@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 13844885 AGDAAYKAEAEKQM-JOCHJYFZSA-N 378.447 4.840 0 40 GJAB CC(C)c1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1 14222151 ILPPWQTVWXKLKV-UHFFFAOYSA-N 389.908 4.509 0 40 GJAB Cc1ccc(CSc2nc(-c3ccc(C)cc3)cc(N3CCOCC3)n2)cc1 15859178 VYEZRDRKMJPRIY-UHFFFAOYSA-N 391.540 4.889 0 40 GJAB CC(C)[C@@H](NC(=O)c1cc(-c2ccncc2)c2cnccc2n1)c1cccs1 19445927 IEGONUJUGVMODX-OAQYLSRUSA-N 388.496 4.880 0 40 GJAB CN(C)C1CCC2(CC1)CN(Cc1c[nH]c3ccccc13)Cc1ccccc1O2 19583947 KHVSUKCWYBHTJH-UHFFFAOYSA-N 389.543 4.806 0 40 GJAB CC(=O)c1c(C)cc(C)c(CSCc2cc(=O)n3c(C)csc3n2)c1C 23415465 PFDIMYLVTHJIKA-UHFFFAOYSA-N 386.542 4.626 0 40 GJAB Cc1c(C(=O)Nc2ccccc2OC(F)F)cnn1-c1cccc(Cl)c1 24860789 DBYWYYBVWDUNCE-UHFFFAOYSA-N 377.778 4.688 0 40 GJAB C[C@@H](NCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)c1ccco1 24985058 QRHDYFKUAHGKTE-APWZRJJASA-N 378.497 4.810 0 40 GJAB COc1ccc(OC)c(CNCc2cn(-c3ccccc3)nc2-c2ccccc2)c1 25068331 TYZXNANDOHDRRS-UHFFFAOYSA-N 399.494 4.846 0 40 GJAB O=C(Nc1ccn(Cc2ccccc2F)n1)C(c1ccccc1)c1ccccc1 27916124 OHCVLQGKLWMUAX-UHFFFAOYSA-N 385.442 4.841 0 40 GJAB Cc1ccc(CSc2nc(=O)n(CCc3ccccc3)c3c2CCC3)cc1 28288337 QLJVICPIXBAKIP-UHFFFAOYSA-N 376.525 4.575 0 40 GJAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)c2cccnc12)c1ccccc1Cl 29052152 UUVZRWJVEHBNKP-SFHVURJKSA-N 388.298 4.574 0 40 GJAB Cc1cc(C(=O)Nc2ccc(F)cc2F)c2c(C)nn(Cc3ccccc3)c2n1 36616803 WFMSTLJEGCHWMP-UHFFFAOYSA-N 392.409 4.627 0 40 GJAB O=C(CSCc1coc(-c2ccccc2)n1)NCCc1cccc(Cl)c1 44329340 JKRNQOAAGFBCKS-UHFFFAOYSA-N 386.904 4.587 0 40 GJAB Cc1noc(Cl)c1CCC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 58356699 QGADZAVOTUDXOH-UHFFFAOYSA-N 387.842 4.505 0 40 GJAB COC(=O)Nc1ccc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)cc1 65585096 VZNVMIMGBAPAKO-OAHLLOKOSA-N 391.427 4.652 0 40 GJAB CSc1ccc(CNC(=O)c2sc(NCCc3ccccc3)nc2C)cc1 71326484 ZQZYWWKBEVGAOP-UHFFFAOYSA-N 397.569 4.758 0 40 GJAB CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72214407 GLUMDNZZUOVXLC-OAHLLOKOSA-N 377.485 4.891 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)NC2CCCCCCC2)cc1Cl 72329310 AKJHFQCVBGYDLQ-UHFFFAOYSA-N 375.900 4.972 0 40 GJAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 72357748 NKHVVIOKYUYUFP-QHCPKHFHSA-N 386.495 4.587 0 40 GJAB C[C@H](C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1ccccc1 72396959 VMYVZYRJFSDZHQ-HRAATJIYSA-N 393.918 4.882 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccc(C)cc3nc2C)c(OC[C@@H]2CCCO2)c1 84210015 PEARKMXVFDPERB-IBGZPJMESA-N 390.483 4.970 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 95478426 XYHKPMDZZHOZHP-VLIAUNLRSA-N 390.936 4.539 0 40 GJAB O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O)c1ccc(Cl)cc1 143242037 WBXUWOPDMWLNTQ-GIJQJNRQSA-N 396.855 4.741 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(C)c1 219026732 WGUJFXLTGBUVDE-INIZCTEOSA-N 377.440 4.731 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N(CC)Cc1nc(-c2cccs2)no1 219383173 IBROGTRCQYSFGM-INIZCTEOSA-N 399.516 4.621 0 40 GJAB COC(=O)c1c(NC(=O)CSCc2cccc(C)c2)sc2c1CCCC2 222738467 PGZBDQPVLOMPLU-UHFFFAOYSA-N 389.542 4.594 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1C 224718433 NHRVONYIIJPLQH-OAHLLOKOSA-N 399.541 4.853 0 40 GJAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1 224981436 JJIANVPAOXWHCC-HXUWFJFHSA-N 384.523 4.854 0 40 GJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225821935 KDZHADUIIPGUSL-QVKFZJNVSA-N 379.497 4.574 0 40 GJAB COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cccc(O)c3)C[C@@H]21 227486947 UXOLMIYVGFZAIQ-UWJYYQICSA-N 378.453 4.705 0 40 GJAB COc1ccccc1CN[C@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1 245227125 BCVSTRYZAONCLL-DQEYMECFSA-N 386.539 4.843 0 40 GJAB COc1cccc([C@H]2CCCN2Cc2ccc(-c3ccc(C(=O)O)c(O)c3)o2)c1 257253819 KAJRHJMQHKSVEV-HXUWFJFHSA-N 393.439 4.696 0 40 GJAB Cc1ccc(NC(=O)c2nc(-c3ccn(C4CCCC4)c3)n3ccccc23)nc1 306123963 BBMXHPGCSYVBPP-UHFFFAOYSA-N 385.471 4.874 0 40 GJAB O=C(C(=O)N1CCc2ccccc2C1)c1c(-c2ccc(F)cc2)cc2ccccn12 408675608 JOJPHRLKHZNDSS-UHFFFAOYSA-N 398.437 4.513 0 40 GJAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)C(c1ccccc1)c1ccccc1 408714480 ROIRTMRKIUZAMQ-UHFFFAOYSA-N 383.451 4.527 0 40 GJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 408907760 QUYJGIXWWKMBEL-UHFFFAOYSA-N 395.484 4.748 0 40 GJAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2c1[C@H](c1cccs1)CC(=O)N2 409130060 NARCURDPYLDROR-NSHDSACASA-N 388.901 4.750 0 40 GJAB CCc1cc(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c(C)nn1 526027031 ZYFGEEXWWOPHKD-UHFFFAOYSA-N 392.406 4.742 0 40 GJAB CC(=O)N1CCc2cc(NC(=O)NCc3cccc(-c4cccc(C)c4)c3)ccc21 588710572 HIMSSFJHRQLIMH-UHFFFAOYSA-N 399.494 4.893 0 40 GJAB CC(C)C(=O)N[C@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl 725872 CLGFRHADUHBLOP-NSHDSACASA-N 378.514 4.874 0 40 GJAB O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc(-c3cccs3)no2)CC1 1359458 IVVXFYRGEYPLCR-UHFFFAOYSA-N 388.880 4.863 0 40 GJAB COc1ccc(-n2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)cc1OC 2237279 MRMSREGKEPJXCL-UHFFFAOYSA-N 396.450 4.961 0 40 GJAB Cc1[nH]c2ccccc2c1CCNC(=S)Nc1cccc(Br)c1 2451559 XXRNKKWCWGMCJJ-UHFFFAOYSA-N 388.334 4.768 0 40 GJAB CCOC(=O)CSc1nc(Nc2ccccc2)c2c3c(sc2n1)CCCC3 2597238 NRKSPNZXOOAJJG-UHFFFAOYSA-N 399.541 4.969 0 40 GJAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 3396195 RPBFVISGTWCVTN-UHFFFAOYSA-N 388.044 4.796 0 40 GJAB CN(C(=O)c1ccc(Cl)cc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078435 KNMAMIQPHCRRKM-UHFFFAOYSA-N 387.936 4.936 0 40 GJAB CCCn1c([C@H]2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21 5235939 OPKXUBBFFSMCNQ-AWEZNQCLSA-N 383.879 4.629 0 40 GJAB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccco3)nc12 5264886 OSVGOBQEONZRKA-UHFFFAOYSA-N 379.441 4.530 0 40 GJAB CC(=O)c1cc(Cl)cc(Cl)c1OCC(=O)N[C@H](C)CCc1ccccc1 5342373 ADCYNBWDCNXCEX-CYBMUJFWSA-N 394.298 4.712 0 40 GJAB CCCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccncc1 5430367 FNVLXMGRGMDOEL-UHFFFAOYSA-N 396.560 4.628 0 40 GJAB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(Cl)cc1C=O 5959972 KGRIGOIKBUZTOJ-UHFFFAOYSA-N 396.668 4.549 0 40 GJAB COc1cc2sc(NC(=O)c3cccc(Br)c3)nc2cc1Cl 6441340 GBYOIYXVAUJHGY-UHFFFAOYSA-N 397.681 4.973 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(Nc2ccccc2)s1 6559783 OGGMYHLAKQNZSL-UONOGXRCSA-N 396.541 4.740 0 40 GJAB Brc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1 7524916 OTIPVTZMCSYXED-UHFFFAOYSA-N 386.245 4.728 0 40 GJAB CC(C)c1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 7759610 DSIDHFNNIFZACY-UHFFFAOYSA-N 399.878 4.551 0 40 GJAB C[C@@H]1C[C@H](Sc2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)C(=O)O1 8192504 XFCVZHYMQQMBCG-WBMJQRKESA-N 399.497 4.870 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1Cl 8218538 CBHTYIOSICBVPM-LLVKDONJSA-N 397.689 4.947 0 40 GJAB CCOc1cc(CNCCOC)cc(Cl)c1OCc1ccccc1Cl 8254117 UWKONVASQVDSAW-UHFFFAOYSA-N 384.303 4.707 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 9164801 GINNDECRXAGTST-UHFFFAOYSA-N 380.488 4.663 0 40 GJAB CC[C@H](C(=O)Nc1nnc(/C=C/c2ccc(OC)cc2)s1)c1ccccc1 9327813 UVZYIZZIYNWEPN-BJRSVTDJSA-N 379.485 4.849 0 40 GJAB COc1cc(SC)ccc1C(=O)Nc1nnc(CCCc2ccccc2)s1 9668475 ZGTJJZNQJJTUMN-UHFFFAOYSA-N 399.541 4.696 0 40 GJAB Cc1ccn2cc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)nc2c1 9712343 UIGKRCDNILMULJ-QGZVFWFLSA-N 376.485 4.620 0 40 GJAB NC(=O)[C@@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 10321832 KWEXWNPCVOIFHZ-NRFANRHFSA-N 385.492 4.858 0 40 GJAB O=C(CCc1ccccc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 10457802 GTZVWMDZYGWNHB-UHFFFAOYSA-N 384.907 4.974 0 40 GJAB CCn1c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)nc2ccccc21 10651879 HMIXXFONUANXSS-UHFFFAOYSA-N 380.448 4.656 0 40 GJAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)Nc1cccnc1 12321564 MTIRLZBRKUIYOW-UHFFFAOYSA-N 379.363 4.664 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C)nc3ccc(C)cc23)cc1 12790928 OVLYZQUHHGYTQL-UHFFFAOYSA-N 375.472 4.586 0 40 GJAB Cc1nc(N2CCC([C@@H](O)c3ccccc3)CC2)c2c3c(sc2n1)CCCC3 12892677 SLVFFAQMKWGIAS-NRFANRHFSA-N 393.556 4.829 0 40 GJAB O=c1c2sc3nc(-c4ccco4)c4c(c3c2ncn1Cc1ccccc1)CCC4 13727504 QIHITGIRDOYRHR-UHFFFAOYSA-N 399.475 4.803 0 40 GJAB CC(C)OC(=O)c1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1 15838575 KQWBBDNQDQHGNJ-UHFFFAOYSA-N 383.831 4.833 0 40 GJAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(F)c2)o1 15881564 LWIKROSJVWPZMN-UHFFFAOYSA-N 392.434 4.668 0 40 GJAB Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2ccccc2Cl)cc1 16311618 PWSSZLZUZFCZHX-UHFFFAOYSA-N 388.862 4.626 0 40 GJAB COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1 16960282 UZLHBGJAHAHYBL-UHFFFAOYSA-N 386.451 4.541 0 40 GJAB O=C(NCc1cccnc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 17168896 VGDDJVDBMWKGKD-UHFFFAOYSA-N 388.858 4.518 0 40 GJAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)no2)c(-c2cc(C)n[nH]2)c1 19659402 SXITVTYBMTWFTJ-UHFFFAOYSA-N 376.391 4.740 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1C 20112612 WMTOVDAAUWPHES-QGZVFWFLSA-N 394.515 4.656 0 40 GJAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20143387 PRZKSMSKFUUYFZ-UHFFFAOYSA-N 395.455 4.797 0 40 GJAB COc1ccc(S[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 20462084 LZIPJXHCLPEIAG-QGZVFWFLSA-N 387.545 4.712 0 40 GJAB CCN(CC)c1ccc(-c2nnc(Sc3ncnc4sccc34)o2)cc1 22062000 BBJRUVJJAXMANT-UHFFFAOYSA-N 383.502 4.739 0 40 GJAB Cc1nc(-c2cccs2)sc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 23739905 TUWWPDQJWDMWBZ-KRWDZBQOSA-N 397.569 4.747 0 40 GJAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1csc(-c2ccc(F)cc2)n1 25482992 DUOQGNWUXPNIGQ-UHFFFAOYSA-N 388.773 4.831 0 40 GJAB Cc1c(C(=O)NCCc2csc(-c3ccccc3)n2)oc2ccc(F)cc12 27994503 KLBXYHURLIQLSI-UHFFFAOYSA-N 380.444 4.976 0 40 GJAB CC(C)[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1cccs1 31708063 ARRWOVAKUDSIEQ-QGZVFWFLSA-N 375.519 4.696 0 40 GJAB O=C(Nc1ccccc1SCC(F)(F)F)c1cc2ccccc2oc1=O 32900578 PUGKWPKIXUFOCF-UHFFFAOYSA-N 379.359 4.700 0 40 GJAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1nc2c(C)cccc2s1 32905831 QESVOPYQCCQDMP-UHFFFAOYSA-N 396.497 4.937 0 40 GJAB Cc1cccc(NC(=O)[C@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)c1 33290456 ZJKNOOLRQPPGEK-INIZCTEOSA-N 386.455 4.540 0 40 GJAB Clc1cccc(Cl)c1Cc1nnc2sc(/C=C/c3cccnc3)nn12 36364974 IMGRQWDGYAOZKV-VOTSOKGWSA-N 388.283 4.649 0 40 GJAB CCc1cc(C(=O)N2CCC[C@H](C)C2)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621664 KOXJMTAUWLSYQI-INIZCTEOSA-N 388.515 4.732 0 40 GJAB Cc1ccccc1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 39918139 FXSMWVIGXATPQI-LBPRGKRZSA-N 396.796 4.659 0 40 GJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 40103898 XMPLKMAEGBLTMJ-UHFFFAOYSA-N 396.443 4.511 0 40 GJAB COc1ccc(-c2noc(-c3cc(-c4ccc(C(C)C)cc4)n[nH]3)n2)cc1OC 46913917 PUIJTNUSJZAQJK-UHFFFAOYSA-N 390.443 4.934 0 40 GJAB COc1cccc([C@H]2CC(O)=Nc3c2cnn3C)c1OCc1cccc(Cl)c1 49543967 XPZAOMITZHRFGM-MRXNPFEDSA-N 397.862 4.785 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(Cc1cccc(Cl)c1)CO2 55396208 MCZKKKRWJKVBFG-UHFFFAOYSA-N 395.886 4.986 0 40 GJAB Cc1ccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(C)cc2C)cc1 59502229 MBYFKTMKKVILBQ-UHFFFAOYSA-N 398.462 4.512 0 40 GJAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(C)c3)oc12 67295597 IOPAAXWBEIPOPA-LCUIJRPUSA-N 399.450 4.938 0 40 GJAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)cc(F)c2)n1 67296770 LMYZTFKMVYVNGQ-ROMGYVFFSA-N 391.377 4.899 0 40 GJAB CC(=O)N1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 72215795 DBLPFNSCVWPCES-LJQANCHMSA-N 381.476 4.838 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)NC1CN(C(=O)OC(C)(C)C)C1 72313529 PRRBKJWXMXDLMF-UHFFFAOYSA-N 375.513 4.674 0 40 GJAB CCOc1ccc(NC(=O)[C@H](Oc2ccc(OC)cc2)c2ccccc2)cc1 80344413 PZHAETXZSHMDCM-JOCHJYFZSA-N 377.440 4.853 0 40 GJAB O=C(O)c1ccc([C@H]2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)cc1 95353858 WXAFXWUEFAOFDD-FQEVSTJZSA-N 375.424 4.665 0 40 GJAB Cc1n[nH]c(C(C)C)c1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 95449088 YFNFVIMRAZBKST-UHFFFAOYSA-N 386.883 4.656 0 40 GJAB CCN(CCC1CCN(C(=O)Nc2nc3ccccc3s2)CC1)CC1CC1 95457403 LKBBSMCOSPCZKA-UHFFFAOYSA-N 386.565 4.662 0 40 GJAB Cc1nc(C(=O)OC[C@H]2CCN(c3ccccc3)C2)c(-c2ccccc2)s1 95468012 NASIWRBKPAYNLP-KRWDZBQOSA-N 378.497 4.802 0 40 GJAB Cc1cc(/C=C/C(=O)Nc2ccc3oc(=O)[nH]c3c2)c(C)n1C1CCCCC1 95948473 JKBYQRISLCASKN-DHZHZOJOSA-N 379.460 4.697 0 40 GJAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c(Cl)c1 98211271 ZVOUHCNWKUEGKC-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB COc1ccc([C@@H]2c3sc(O)nc3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1OC 169293626 SNUBHAJWZFBQHA-PNWSJRKFSA-N 375.515 4.518 0 40 GJAB Cc1c(C(=O)O)c2ccccc2n1C(=O)COc1ccc(Cl)cc1Cl 216748994 MYINYWYHFVFFEK-UHFFFAOYSA-N 378.211 4.674 0 40 GJAB Cc1cccc(CCCNC(=O)COc2cc(C)c(Br)c(C)c2)c1 218840973 UXWAUBWJCMFBTJ-UHFFFAOYSA-N 390.321 4.502 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1cccc(C)c1 222745808 FEPZVLZYMVLJEA-LJQANCHMSA-N 385.529 4.655 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 222903631 CIDWRMIUFJJAMA-QHCPKHFHSA-N 396.531 4.518 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 222959952 QUOGUWGUZOGMJK-NRFANRHFSA-N 394.515 4.726 0 40 GJAB Cc1cccc(OCCNC(=O)c2cccc(OCc3ccccc3)c2)c1C 223937257 HCPCSADGKLIHLB-UHFFFAOYSA-N 375.468 4.691 0 40 GJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCc1ccc(Cl)cc1 224555933 UAFCSDZKKHODJT-UHFFFAOYSA-N 392.886 4.593 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 224859634 YYLBCSDKOAHDPE-QGZVFWFLSA-N 381.501 4.926 0 40 GJAB CC(C)CSc1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 224993226 MREPHEWBSHEEEU-UHFFFAOYSA-N 385.942 4.736 0 40 GJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 225122029 ZANYJGPLTJAVMM-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 225660497 IYZHNADIOZNEDD-MRXNPFEDSA-N 384.545 4.906 0 40 GJAB COc1cc(C(=O)O)cc(CSC)c1OC(=O)c1ccc(C(C)(C)C)cc1 226288629 NQWYDGXARMYQLP-UHFFFAOYSA-N 388.485 4.773 0 40 GJAB COc1cc([C@@H]2CN(CCc3ccccc3)[C@@H]3CCC[C@@H]23)cc(OC)c1OC 248139827 RAUKNZWEAAPBHW-PCCBWWKXSA-N 381.516 4.523 0 40 GJAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2ccc3ccccc3n2)n1 257261073 LFPVAPLJXAGUPP-QFIPXVFZSA-N 385.471 4.634 0 40 GJAB CN([C@@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1 1561103523 XIMFPPVVWFXPAB-FQEVSTJZSA-N 389.879 4.889 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1 680008 GGXSPHDVRUECHW-SDNWHVSQSA-N 375.472 4.517 0 40 GJAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3n2)cc1 830054 KCMNWNZDURAPKR-UHFFFAOYSA-N 394.434 4.835 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)c1 903031 HQNBILRGXNTARW-UHFFFAOYSA-N 376.485 4.539 0 40 GJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(C)cc3C)c2c1 952861 HSPTXCZWQJSMNW-UHFFFAOYSA-N 392.455 4.949 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 1329327 INRDNORDCCNMHG-GJZGRUSLSA-N 380.517 4.507 0 40 GJAB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2Cc2ccccc2F)C1 1381381 OEZXXLQVJHWSQG-INIZCTEOSA-N 397.519 4.574 0 40 GJAB C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccccc1 1381809 IRNQMPMVWMZBIK-INIZCTEOSA-N 390.870 4.922 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(I)c1 1434093 MQUSOSCLZVTMTR-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB Brc1cc(Br)c2c(c1)CN(C1CCCCC1)CO2 1569512 IRYHOOYWAWVHRY-UHFFFAOYSA-N 375.104 4.696 0 40 GJAB CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccc(F)cc4)nc(N)c23)CO1 2226755 UHLQZYSKIYSZEX-AWEZNQCLSA-N 389.521 4.802 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccccc2Cl)OC1=O 2284820 KFUKFSFOASDZEK-BOPFTXTBSA-N 398.249 4.832 0 40 GJAB COC(=O)c1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 2713930 QTUXEHSEWHHHQQ-UHFFFAOYSA-N 381.240 4.642 0 40 GJAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 2764762 VDJHONBBLJSAHT-IAGOWNOFSA-N 380.469 4.793 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nc2ccccc2s1 3398503 CIUGZLOHVUYUEH-UHFFFAOYSA-N 397.887 4.860 0 40 GJAB Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C)cs2)cc1 3444502 ZQTMCYHTYQZXQR-UHFFFAOYSA-N 379.510 4.658 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 3506385 XCFMUPZSLHOEKQ-UHFFFAOYSA-N 398.418 4.891 0 40 GJAB CSc1ccc(CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 4308407 YILIGUHFUOGNTE-GOSISDBHSA-N 395.311 4.683 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 4670575 OGBPNDJRHQUEFM-UHFFFAOYSA-N 389.860 4.992 0 40 GJAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1OCC(C)C 4828399 LVSQLATWZDEKPC-HXUWFJFHSA-N 396.531 4.581 0 40 GJAB Cc1cccc(CCNc2c3c(nc4cc(-c5cccc(F)c5)nn24)CCC3)c1 4966861 UWKOJMXEJBMTKR-UHFFFAOYSA-N 386.474 4.987 0 40 GJAB Cc1ccc(-c2cn3c(CC(=O)N[C@H](C)c4ccccc4)csc3n2)cc1 5147197 GYHNZOLIJSNSGI-MRXNPFEDSA-N 375.497 4.791 0 40 GJAB CCc1nc(SCC(=O)Nc2ccc(OC)cc2)c2oc3ccccc3c2n1 5477904 GWYDCOFXLFYFAG-UHFFFAOYSA-N 393.468 4.678 0 40 GJAB Cc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)ccc1Br 5925304 SSEHRIOFGAJKJF-UHFFFAOYSA-N 388.183 4.794 0 40 GJAB Cc1cc(OC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc(C)c1Cl 6424881 PNWPUBWWQIPYJA-UHFFFAOYSA-N 391.858 4.969 0 40 GJAB CCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3ccc(C)cc32)cc1 6600826 WCEBZVFTDHFAQK-UHFFFAOYSA-N 385.467 4.836 0 40 GJAB O=C(/C=C/c1ccc(F)cc1)N(C(=O)/C=C/c1ccc(F)cc1)c1ccccn1 6616622 KPWUPPHBJRPRDA-VOMDNODZSA-N 390.389 4.646 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 7882113 QYOHMWQUGXFKGK-JSGCOSHPSA-N 377.271 4.542 0 40 GJAB CCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 8477056 DYVZJWZFPLBYGW-UHFFFAOYSA-N 393.249 4.520 0 40 GJAB COc1ccc(-c2nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3o2)cc1 8586684 HPWMFVFJWXDRKW-UHFFFAOYSA-N 394.452 4.613 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1C1CCCCC1 8915540 QNIKFBJDOIYLJQ-FQEVSTJZSA-N 377.415 4.810 0 40 GJAB Fc1ccc(N2CCn3c(SCc4c(F)cccc4Cl)nnc32)cc1 9574119 LKBLIUAAJHWWLO-UHFFFAOYSA-N 378.835 4.654 0 40 GJAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(F)(F)F 9695013 KMQCMPJBLLQZHF-UHFFFAOYSA-N 384.206 4.954 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 10139831 MHRSXKOFNLBWPH-UHFFFAOYSA-N 397.906 4.648 0 40 GJAB Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)sc1C 12254257 JTQMFCRHEAOEPJ-GOSISDBHSA-N 392.528 4.660 0 40 GJAB Cc1nc(-c2ccccc2)nc2c1C(=O)C[C@H](c1ccc(N(C)C)cc1)S2 12324300 IWKXEUQTNTURKD-LJQANCHMSA-N 375.497 4.938 0 40 GJAB CCc1nc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cs1 12538022 QMZGDAJNOOZUIE-UHFFFAOYSA-N 379.514 4.641 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)c1 12593901 KSCCSTNQHZSDIV-HNNXBMFYSA-N 386.542 4.775 0 40 GJAB Cc1c(NC(=O)c2cccc(F)c2)cccc1C(=O)N1CCc2sccc2C1 13007348 UHZFUQLQQXISNQ-UHFFFAOYSA-N 394.471 4.646 0 40 GJAB C[C@H](Cc1ccc2c(c1)OCO2)CN(Cc1cccnc1)Cc1ccccc1F 13569003 BKXWAKHJJCJBIH-GOSISDBHSA-N 392.474 4.830 0 40 GJAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(Cl)cc1F 14260055 ZPPDDUKEUQUZKN-UHFFFAOYSA-N 386.648 4.522 0 40 GJAB COc1ccc(/C=C(/C(=O)Nc2cc(OC)ccc2OC)c2ccccc2)cc1 16215801 FMXINEHRNMGHNT-RCCKNPSSSA-N 389.451 4.892 0 40 GJAB Fc1cc2c(c(CSc3nnc(-c4c[nH]c5ccccc45)o3)c1)OCOC2 16627152 MVHUZDFKDUPWKV-UHFFFAOYSA-N 383.404 4.516 0 40 GJAB O=C(C1CCC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373178 LAADKFZKEOASOM-OAQYLSRUSA-N 399.498 4.746 0 40 GJAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 19666647 RXYUAKTXJSIFSC-GFCCVEGCSA-N 398.846 4.566 0 40 GJAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(SC)cc2)cc1Cl 20030016 KSZOSWGXNHKSCP-GFCCVEGCSA-N 385.938 4.500 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1Cl 20110267 GIKMNZWBGCISEE-CYBMUJFWSA-N 377.893 4.944 0 40 GJAB CCOc1cc(/C=C/C(=O)N2CCc3sccc3[C@H]2C)ccc1OC(F)F 21638948 QQIJLNMJZXCTCU-VUDGCMKMSA-N 393.455 4.907 0 40 GJAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(Cc4ccccc4)o3)o2)cc1 26438027 PMYZYHULAGUPAM-CQSZACIVSA-N 378.457 4.872 0 40 GJAB Brc1cccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 27222577 UYISDQCEYGVSMC-FQEVSTJZSA-N 396.332 4.861 0 40 GJAB Cc1ccc2oc(C(=O)N(Cc3cccc(F)c3)Cc3ccco3)cc(=O)c2c1 27990892 HEBOJXUYFPCUFS-UHFFFAOYSA-N 391.398 4.676 0 40 GJAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1 40072089 SESFWSBRTFFLSB-UHFFFAOYSA-N 388.577 4.945 0 40 GJAB Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 40086921 HKVVKPJGGWFHMU-UHFFFAOYSA-N 399.425 4.599 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c2)oc1C 40155049 RIBRHYRBLCVFEB-NRFANRHFSA-N 392.455 4.769 0 40 GJAB O=C(Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)N1CCCC1 41127666 INHUUQCKTFNDOQ-UHFFFAOYSA-N 375.255 4.967 0 40 GJAB C[C@@H]1CCN(C(=O)CSc2nncc3ccccc23)c2ccccc2S1 44156976 RGGIPGHVDWZNOS-CQSZACIVSA-N 381.526 4.639 0 40 GJAB Cc1cc(C)c(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1Br 54363215 YXFWYXZRQHNOBX-UHFFFAOYSA-N 376.360 4.559 0 40 GJAB Oc1nc(-c2ncccn2)nc2cc(-c3ccc(Cl)cc3Cl)sc12 54754076 VDHBSYXBVKOMEL-UHFFFAOYSA-N 375.240 4.828 0 40 GJAB CCn1c(-c2ccco2)nn(CN2CCCC[C@H]2Cc2ccccc2)c1=S 58158696 PJTWPTOOHHJOOF-SFHVURJKSA-N 382.533 4.749 0 40 GJAB Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)cnc1N1CCCC1 72218831 ZPEFMSGNPXTHIM-OAQYLSRUSA-N 379.504 4.854 0 40 GJAB Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CCc4c(O)cccc43)s2)cc1 72235925 XBFUQNHPXCXJMJ-SFHVURJKSA-N 379.485 4.557 0 40 GJAB CCSCc1ccnc(NC(=O)c2cc(NC(=O)C(C)C)ccc2Cl)c1 95976906 IANKOBGQLBPHQS-UHFFFAOYSA-N 391.924 4.835 0 40 GJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)c1ccccc1 219056560 IRVFCQOGOFFGCW-HNNXBMFYSA-N 379.843 4.977 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219330947 IYPIBQUXWDOLOD-NHCUHLMSSA-N 397.515 4.888 0 40 GJAB Cc1cccc(CCCNC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219467492 YDRBVVBNPBLBEH-UHFFFAOYSA-N 386.495 4.638 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(CN2CCCCC2)c1 224697222 DVCFOSLQSLKKLU-HSZRJFAPSA-N 394.559 4.763 0 40 GJAB COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C)c3)CCOCC2)cc1 225584982 FDSAGXLNNHVQKL-UHFFFAOYSA-N 397.515 4.725 0 40 GJAB COC(C)(C)CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1Cl 225609326 BLTVZPPABRIZQN-FQEVSTJZSA-N 385.932 4.924 0 40 GJAB Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2c1CCCC2 409272850 HPULPTDVMFXMDY-UHFFFAOYSA-N 382.316 4.701 0 40 GJAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N1CC[C@H]1Cc1ccccc1 503286049 RQROISNVPHPOQK-SFHVURJKSA-N 381.476 4.722 0 40 GJAB O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)N[C@H]1CC12CCOCC2 581114991 NOEIZFZZNATDND-AWEZNQCLSA-N 397.422 4.520 0 40 GJAB Brc1cc2c(OCc3nnc([C@@H]4CCCOC4)o3)cccc2s1 629411308 JLHAYAJXESKAJJ-SNVBAGLBSA-N 395.278 4.520 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)C12CC3CC(CC(C3)C1)C2 1775966694 ULQYXDDBFUYLKG-WRQGHLQJSA-N 387.570 4.843 0 40 GJAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)NCCc1ccccc1 2699495 ZSJKRWNZNFFMLN-UHFFFAOYSA-N 399.519 4.748 0 40 GJAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1cccc(Cl)c1 3216364 QRBHBGPVZMIAHL-UHFFFAOYSA-N 379.843 4.726 0 40 GJAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1 3241874 MIQPYNLNROQKLN-UHFFFAOYSA-N 381.378 4.736 0 40 GJAB CC(C)c1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1 4425560 PYZSZKBZIRDNKB-XCMFGDQWSA-N 397.521 4.837 0 40 GJAB CCOC(C(=O)OCCCN1CCCCCC1)(c1ccccc1)c1ccccc1 4696756 PVCNYWIFSZDVLC-UHFFFAOYSA-N 395.543 4.776 0 40 GJAB Cc1cccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@H]2c2ccccc2)c1 4815020 SOQYXTAHTUZKSM-GOTSBHOMSA-N 394.478 4.968 0 40 GJAB COc1ccc(C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)cc1 4871126 PJJRJZPTGFTEPT-UHFFFAOYSA-N 378.808 4.742 0 40 GJAB COc1ccc(-c2nc(=S)c3c(n2Cc2cccnc2)CC(C)(C)OC3)cc1 5477910 MWSJMAGQMGXGSR-UHFFFAOYSA-N 393.512 4.583 0 40 GJAB CCCCCn1c(O)c(C(=O)Nc2ccc(OCC)cc2)c(=O)c2ccccc21 5826139 ODPATGOQIHBDCA-UHFFFAOYSA-N 394.471 4.548 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N2CCCC2)c2cc(-c3ccccc3)sc2n1 6114412 ISBBACGQLOCFMI-CYBMUJFWSA-N 383.542 4.770 0 40 GJAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2OC)cc1OCC 6288940 CNXVVDLLHOMBTR-UHFFFAOYSA-N 393.867 4.797 0 40 GJAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3cc(C)cc(C)c3)cc2)cc1 6479885 XPKIVIVORJTYLZ-UHFFFAOYSA-N 394.492 4.805 0 40 GJAB Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)cs1 6587090 DXGYTPMNLZEGLK-UHFFFAOYSA-N 398.431 4.938 0 40 GJAB COc1cc(C)c(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC 7453493 UKYXOPBWXOPHSC-KRWDZBQOSA-N 384.520 4.595 0 40 GJAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCc1c[nH]c2ccccc12 7988212 NBDYDXZOIFGAOZ-UHFFFAOYSA-N 375.394 4.824 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)/C=C/c1ccc2ccccc2n1 8025979 QGHSRDFIUVBTTM-FOCLMDBBSA-N 396.494 4.709 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)CCSc2ccc(Cl)cc2)c1 8355435 ZRUHBVFPQRLQCJ-ZDUSSCGKSA-N 379.909 4.717 0 40 GJAB Cc1sc(NC(=O)CSc2nc3ccccc3o2)nc1-c1ccccc1 8391538 HBZNUXUHRFQESJ-UHFFFAOYSA-N 381.482 4.991 0 40 GJAB CCCOc1c(Cl)cc(/C=C/C(=O)N2CCc3sccc3C2)cc1OC 10923308 SBWUFSLHSDMTCZ-SNAWJCMRSA-N 391.920 4.797 0 40 GJAB CCOc1ccc(Oc2ccc(NCc3nc4ccsc4c(=O)[nH]3)cc2)cc1 12512704 LDALNYALGAPQER-UHFFFAOYSA-N 393.468 4.788 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCC(C)CC2)cc1 12581217 PKJBXOYICUYCCA-GOSISDBHSA-N 381.520 4.761 0 40 GJAB CC(=O)N[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)c1ccc(C)cc1 12640323 ARTDDQSIPZGBQM-HSZRJFAPSA-N 387.483 4.945 0 40 GJAB CCCCc1noc(CSc2nnc(-c3ccco3)n2-c2ccccc2)n1 12648154 VLDXMRLEWDSULE-UHFFFAOYSA-N 381.461 4.545 0 40 GJAB COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1 13644062 DIPDKZFZCVMDCW-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Cc1nc2ccccc2nc1Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2 15109067 MYJFQQLXENVRHD-UHFFFAOYSA-N 376.419 4.548 0 40 GJAB C[C@H]1CN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)C[C@@H](C)O1 17247446 CQYLDUSZLQSUFQ-OKILXGFUSA-N 398.304 4.673 0 40 GJAB Cc1ccc2c(C)c(CCC(=O)Nc3cc(C(C)(C)C)ccc3O)c(=O)oc2c1 17361154 UNPVHHUUSSZXPY-UHFFFAOYSA-N 393.483 4.984 0 40 GJAB Cc1ccc(C2(C(=O)N3CCC[C@@H]3c3ccnc4cc(C)nn34)CCCC2)cc1 19208480 MAZURZCGHMIKGE-HXUWFJFHSA-N 388.515 4.522 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2ccccc2)on1 21010043 RXDRSUILNMKKNV-UHFFFAOYSA-N 393.830 4.888 0 40 GJAB CCOc1cc(CNCCc2ccccc2)cc(Br)c1OCC 22074375 QBCDEOHXKDYIPD-UHFFFAOYSA-N 378.310 4.579 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1Cl 22520156 BQDDEPGQXPRZGK-UHFFFAOYSA-N 377.893 4.946 0 40 GJAB Cc1cccc(NC(=O)c2ccc(COc3ccccc3Br)o2)n1 27970952 KYEOMIWZUSABAQ-UHFFFAOYSA-N 387.233 4.577 0 40 GJAB O=S1(=O)c2cccc3cccc(c23)N1Cc1ncc(-c2cccc(Cl)c2)o1 28187342 HOUUCOWGUPTSHW-UHFFFAOYSA-N 396.855 4.857 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2cccc3ccccc23)c(Cl)c1 30857126 KPUMBLVTQVIAHP-UHFFFAOYSA-N 383.831 4.687 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 32094742 VEBMSRFCGLVCRU-FPYGCLRLSA-N 391.814 4.901 0 40 GJAB COC(=O)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)c(C)c1 40050521 HYWXKPVDFRLIES-UHFFFAOYSA-N 378.453 4.580 0 40 GJAB CCSc1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 44901738 XYSRMKVTIBXJQO-CYBMUJFWSA-N 377.531 4.935 0 40 GJAB Nc1c(Br)cc2nc(-c3ccc(F)cc3)oc2c1Br 70461353 UFCCSCSQNPVEOC-UHFFFAOYSA-N 386.018 4.741 0 40 GJAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc(-c2ccccc2)no1 71844282 AWJLHNKMHBFDCF-NHCUHLMSSA-N 389.499 4.854 0 40 GJAB O=C(NC1CCCC1)c1ccccc1OC(=O)c1cc(Cl)sc1Cl 95361049 ZJONJIXWDHJPKB-UHFFFAOYSA-N 384.284 4.947 0 40 GJAB CCc1oc(C(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)cc1C 95965970 JDBPRZMKINHHBO-CYBMUJFWSA-N 397.500 4.723 0 40 GJAB CSc1ccc(-c2csc(NC(=O)c3cccc(C4OCCO4)c3)n2)cc1 95978114 KTNGMDRGVOKYHQ-UHFFFAOYSA-N 398.509 4.830 0 40 GJAB O=C(CCc1ccc2c(c1)CCO2)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96116185 HXTMYWNXYZGAHR-IBGZPJMESA-N 394.902 4.883 0 40 GJAB biogenic Cc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(O)C[C@H](c3ccco3)CC1=N2 102576645 FUQFLKLFXAOLKL-BFUOFWGJSA-N 380.835 4.898 0 40 GJAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4C)C3=C(O)C2)cc1 102666632 NFUFBAQBJIGINC-ZHRRBRCNSA-N 386.455 4.660 0 40 GJAB CC1CCN(c2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)CC1 141541535 WUNCUAJMGQQYCX-OAQYLSRUSA-N 378.516 4.955 0 40 GJAB CCc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 205608319 XTDNMNXKHGTTEL-HKWRFOASSA-N 376.481 4.720 0 40 GJAB CC(C)Oc1ccccc1C(=O)NCCSCc1c(F)cccc1Cl 219734550 PPGZOJNNDZOUJZ-UHFFFAOYSA-N 381.900 4.930 0 40 GJAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C(C)C 222839394 AMQHYZPOYHWDMA-NHCUHLMSSA-N 376.529 4.562 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)cc(C)c1Cl 223438317 FMVAXGGHUOHPQQ-LBPRGKRZSA-N 399.969 4.962 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)NCCOc2ccc3ccccc3c2)cc1 223614402 VVJULNAVEPNNNI-UHFFFAOYSA-N 377.484 4.711 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc2ccccc2c1 223627515 WPGIKRKJIOKSAQ-OAQYLSRUSA-N 383.875 4.846 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 223991260 BHTCODOWNLIPSY-HSZRJFAPSA-N 395.543 4.871 0 40 GJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 224711823 JUYFEKRLUMMMIF-KKSFZXQISA-N 379.500 4.751 0 40 GJAB COc1cc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1OC(C)C 224988358 WUBCJZLVWYZIAI-UHFFFAOYSA-N 391.895 4.610 0 40 GJAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1C 225708263 WTKBDWLXDPZLEZ-QGZVFWFLSA-N 381.545 4.786 0 40 GJAB NC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226340590 COTRQLIWRANJKW-UHFFFAOYSA-N 390.664 4.934 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CCC(Oc3cccc4cccnc34)CC2)cc1 238868108 MFYMPXFIIZGYOG-UHFFFAOYSA-N 388.511 5.216 0 40 GJAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1cccc2ccccc12 245015302 LUYGUMMQLFCANC-OAQYLSRUSA-N 379.506 4.629 0 40 GJAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257258020 KSBNCGGAPKRUDX-NRFANRHFSA-N 390.483 4.570 0 40 GJAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccsc4)o3)CC2)cc1 257271960 NAMDBNPUEJSPEL-JCNLHEQBSA-N 381.501 4.810 0 40 GJAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)c(Cl)c1 408677257 AVESAGUQDIUEDM-SNVBAGLBSA-N 384.657 4.517 0 40 GJAB Cc1cc(C)n([C@H](CNC(=O)c2ccccc2C(F)(F)F)c2ccsc2)n1 575613517 IHNHCFLVTAUENQ-QGZVFWFLSA-N 393.434 4.600 0 40 GJAB O[C@@H]1[C@@H](NCc2cccc(C(F)(F)F)c2)CCC[C@H]1Oc1ccc(Cl)cc1 585289725 WFWWNEIHXCDVHN-IPMKNSEASA-N 399.840 4.809 0 40 GJAB O=C(O)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)O)cc4)cn3)nc2)cc1 642881176 FCXNVSNHZZTWCB-UHFFFAOYSA-N 396.402 4.874 0 40 GJAB CCOc1cc(Cl)c([C@@H](C)NC(=O)c2ccccc2OC)cc1OCC 668049 ANVGNBAEMDSRSC-CYBMUJFWSA-N 377.868 4.637 0 40 GJAB CCn1c(CNc2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1 786938 BFHIFYDZQNWVOY-UHFFFAOYSA-N 388.924 4.864 0 40 GJAB CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(N(C)C)cc3)n2)s1 853357 KBUSKUPVTSOYFO-UHFFFAOYSA-N 387.534 4.733 0 40 GJAB COc1ccc(OC)c(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C)c1 902906 ZNIXYIANLXEBQW-UHFFFAOYSA-N 396.512 4.908 0 40 GJAB Cc1cn(-c2nc(-c3ccccc3)sc2-c2ccccc2)c(=O)[nH]c1=S 945458 WKERRHQMXMZIHS-UHFFFAOYSA-N 377.494 4.994 0 40 GJAB biogenic COc1ccccc1NC(=O)[C@@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C 1020368 OUQBEFBPZPPCCK-BJKOFHAPSA-N 387.483 4.606 0 40 GJAB biogenic COc1ccccc1/C=C1\SC(=O)N(CNc2ccc(C)c(Cl)c2)C1=O 1029811 OLISSAYDFDWGPI-MFOYZWKCSA-N 388.876 4.763 0 40 GJAB Cc1ccccc1NC(=O)[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 1410398 IRSMNUBGVQEENB-DEOSSOPVSA-N 397.478 4.515 0 40 GJAB Cc1oc2cc3oc(=O)c(CCC(=O)NC4CCCCC4)c(C)c3cc2c1C 2095105 JLJSRTGUPONAJQ-UHFFFAOYSA-N 381.472 4.846 0 40 GJAB biogenic COc1ccc(CNCC[C@@H](c2ccco2)c2ccccc2OC)cc1OC 2099241 MTIYDNHALWUKGS-LJQANCHMSA-N 381.472 4.617 0 40 GJAB biogenic CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12 2184849 LZZODXCQLFJCOZ-UHFFFAOYSA-N 393.486 4.560 0 40 GJAB CCCCCCc1cc2cc(C(=O)Nc3ccccc3OC)c(=O)oc2cc1O 2269435 OSRUQNAFDCVLCZ-UHFFFAOYSA-N 395.455 4.882 0 40 GJAB aggregator Cc1nc(N2CCN(c3ccc(Cl)cc3)CC2)c2oc3ccccc3c2n1 2416733 GGZQRTAZKINDHZ-UHFFFAOYSA-N 378.863 4.664 0 40 GJAB CC(C)OC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3339851 XACADVXDNUGKNQ-UHFFFAOYSA-N 383.831 4.664 0 40 GJAB O=C(NCCSc1ncc(-c2ccc(F)cc2)[nH]1)c1ccc2ccccc2c1 4315736 NVAGITBWHTVOEY-UHFFFAOYSA-N 391.471 4.891 0 40 GJAB Cc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cc1C 4359599 GVLWKMLBONEOIW-UHFFFAOYSA-N 385.508 4.651 0 40 GJAB Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 5164818 AVBHSCRAVLHHQK-JOCHJYFZSA-N 396.446 4.863 0 40 GJAB CCC(=O)Nc1ccc(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)cc1 5689727 IFMFSMWZEJEKNM-UHFFFAOYSA-N 394.496 4.875 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1nc(SCc2ccccc2)ns1 6078909 WOSONCBZPFNQTL-UHFFFAOYSA-N 391.905 4.501 0 40 GJAB COc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 6375891 NTXROGCWSJVHPG-UHFFFAOYSA-N 388.876 4.798 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)o1 6544106 ICFZLVRKPMJVSH-CQSZACIVSA-N 377.469 4.814 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1c(F)cccc1Cl 6586428 QZEDRYSETAJESE-HBUWYVDXSA-N 384.875 4.569 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(N2CCCC2)cc1 6652978 PGAXCLIHNRRHJX-UHFFFAOYSA-N 380.879 4.687 0 40 GJAB O=C(Cc1c(Cl)cccc1Cl)OCc1cc(Cl)c2c(c1)OCCO2 6785392 ZAIIHYVCXUQVJB-UHFFFAOYSA-N 387.646 4.704 0 40 GJAB COC(=O)c1c(NC(=S)N[C@H](C)c2ccc(C)cc2)sc2c1CCCC2 6845839 PQSYTNFKMJHHOA-CYBMUJFWSA-N 388.558 4.770 0 40 GJAB S=c1[nH]nc(-c2ccccc2)n1NCc1cccc(OCc2ccccc2)c1 7601487 HDFIOTKZPQXSBZ-UHFFFAOYSA-N 388.496 4.930 0 40 GJAB COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2C)c1 9359517 NPAYHJJHNDFGQH-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB COc1ccc2nc(NC(=O)c3cc(-c4ccc(C)c(F)c4)on3)sc2c1 11916880 MXOZKBAEWOZMGC-UHFFFAOYSA-N 383.404 4.660 0 40 GJAB CC(C)NC(=O)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12220223 GXFRCNIIFGDLOU-UHFFFAOYSA-N 377.484 4.964 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCc3cccs3)cccc2c1=O 12800976 RCJVAVXNWRWHJU-UHFFFAOYSA-N 389.476 4.802 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 12908237 WILZJLMDICJMAN-RNXZQOMOSA-N 382.548 4.861 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2sc(-c3ccsc3)nc2C)cc1F 12983738 VLQUZYMDLQJPJB-JTQLQIEISA-N 376.478 4.819 0 40 GJAB COc1ccc2c(-c3ccccc3)cc(=O)n(C[C@H](O)c3ccc(F)cc3)c2c1 12985861 XWCGONGFLZYCGK-QHCPKHFHSA-N 389.426 4.550 0 40 GJAB COc1cccc(C(=O)Nc2nc(-c3c(C)[nH]c4ccc(OC)cc34)cs2)c1 13736634 JLVNHNVDVMCKAH-UHFFFAOYSA-N 393.468 4.869 0 40 GJAB COc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br 14649598 UZHXEYBOULJQSX-UHFFFAOYSA-N 392.293 4.773 0 40 GJAB OC1CCN(c2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)CC1 15173014 JTPWIQKYRCUGLT-ZHACJKMWSA-N 391.540 4.702 0 40 GJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4OC)cc3n2)cc1 16162138 WVXXRAXTBVMPAE-UHFFFAOYSA-N 386.455 4.552 0 40 GJAB O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(C3CCCC3)CC[C@H]21 19406598 BZRMZXGNSTXBPT-YPAWHYETSA-N 386.605 4.887 0 40 GJAB Cc1sc(NC(=O)c2ccccc2Cn2ccnc2)nc1-c1ccc(F)cc1 19555611 XFOBSADTMDBZNX-UHFFFAOYSA-N 392.459 4.755 0 40 GJAB Cc1noc2nc(C3CCN(C(=O)CC4CCCC4)CC3)cc(C(F)(F)F)c12 19564645 PAEJPVYERZKFOD-UHFFFAOYSA-N 395.425 4.836 0 40 GJAB COc1ccccc1CN1C[C@@H](c2cc(C(F)F)[nH]n2)[C@H](c2ccccc2)C1 19570730 LLWNWEJFIBYYTP-ZWKOTPCHSA-N 383.442 4.739 0 40 GJAB O=C(NCc1cccs1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 22503249 HCNKUSYEZSMOCE-UHFFFAOYSA-N 391.496 4.663 0 40 GJAB Cc1cccc(OCCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1C 24675265 MSQZLJVABVYGII-UHFFFAOYSA-N 391.515 4.533 0 40 GJAB Cc1ccccc1NCCC(=O)N1CCC(c2nc3ccccc3s2)CC1 24927265 SHBUZUBYRWSAKD-UHFFFAOYSA-N 379.529 4.813 0 40 GJAB CCCOc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)c1 27741581 UYOJPGPIQJVSIZ-HXUWFJFHSA-N 386.561 4.884 0 40 GJAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCO[C@@H](c2ccccc2)C1 27899706 OEMPSVKJGSVJHA-HSZRJFAPSA-N 384.435 4.709 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 27922114 PSFQXMBRIFZWIE-UHFFFAOYSA-N 389.455 4.528 0 40 GJAB O=C(COc1ccc(-c2ccccc2)cc1Cl)N(Cc1cccnc1)C1CC1 28516225 DXBAZEBJLDQJLH-UHFFFAOYSA-N 392.886 4.972 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1cc2ccccc2s1)c1ccc(Cl)cc1 32772769 PHCOUHXEZHAVEJ-SFHVURJKSA-N 381.888 4.808 0 40 GJAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(Cl)cc1Cl 32930331 BUDLUIUEHPLXPF-UHFFFAOYSA-N 387.266 4.897 0 40 GJAB CCOc1ccc2nc(C(=O)OC)cc(Nc3cc(Cl)ccc3OC)c2c1 38487345 JTRZPNBMRIDVNH-UHFFFAOYSA-N 386.835 4.826 0 40 GJAB COc1cc(OC)c2[nH]c(C(=O)N(Cc3ccc([C@H]4C[C@H]4C)o3)C3CC3)cc2c1 42058252 MQRWCCUSAATREF-ACJLOTCBSA-N 394.471 4.706 0 40 GJAB COc1cc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)ccc1OC(C)C 44885389 BCTPNBUKOZZKRS-QGZVFWFLSA-N 385.504 4.690 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(CN2CCOCC2)c1 44904744 XGJUQFXTBPRRPC-UHFFFAOYSA-N 388.467 4.563 0 40 GJAB CCOc1ccc(Nc2c(C(=O)N(CC)CC)cnc3nc(C)ccc23)cc1 49005551 CUNMTCUIDDRTJI-UHFFFAOYSA-N 378.476 4.563 0 40 GJAB O=C(Cc1cccc(Br)c1)Nc1ccc(Br)cc1F 50040986 WJAFUWLOUZUCJH-UHFFFAOYSA-N 387.046 4.532 0 40 GJAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1N1CCOCC1 57315693 ONNZNDQSFXEIBI-UHFFFAOYSA-N 396.531 4.617 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C 57460497 PGWVZRBEGXXCQP-JOCHJYFZSA-N 394.494 4.554 0 40 GJAB CC1=NN(c2ccc(C(=O)Nc3ccc(N4CCCCCC4)cc3)cc2)CC1 58419143 RXFIDKLRLJTCNH-UHFFFAOYSA-N 376.504 4.905 0 40 GJAB O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc2nccnc12 72314676 FYZRPHSQNCKMPC-QFIPXVFZSA-N 378.435 4.621 0 40 GJAB NC(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1 84562636 JAQPDYGFNFNCMS-UHFFFAOYSA-N 384.357 4.724 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 95364914 ZVRYBETURWWDFL-OALUTQOASA-N 396.487 4.908 0 40 GJAB O=C(NCC[C@@H](O)c1cc2ccccc2o1)C1c2ccccc2Oc2ccccc21 96097259 NRZPZWGTYZKUHO-LJQANCHMSA-N 399.446 4.910 0 40 GJAB COc1cc(-n2c(S)nc3cc(Cl)ccc3c2=O)c(Cl)cc1Cl 100921095 KBCUSNQLHXNWEE-UHFFFAOYSA-N 387.675 4.643 0 40 GJAB Clc1ccc(C2=C[C@H](c3c(Cl)cccc3Cl)n3nnnc3N2)cc1 101166976 RJSVMQXFRCPNSZ-CQSZACIVSA-N 378.650 4.689 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)CCSCc1ccccc1)CC(C)(C)O2 218999021 CZKHZHIENZNXNX-IBGZPJMESA-N 385.529 4.737 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(C)c1 222851788 IGYNUCJGQKDKHN-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)c1 224231823 FKEUXUNEMMFIDJ-RTWAWAEBSA-N 376.529 4.522 0 40 GJAB CCc1ccc(OCCNC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1 224475195 DZGZNGAICVFQMD-IBGZPJMESA-N 377.937 4.968 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](CC)c2ccc(OC)cc2)c1 225489590 VIIKEVXZZLHOCX-GOSISDBHSA-N 386.517 4.618 0 40 GJAB O=C(NC1CCCCCCC1)c1snnc1-c1ccc(Br)cc1 225786243 HELLXIHDEOZHLL-UHFFFAOYSA-N 394.338 4.810 0 40 GJAB CN1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)CC1 408629279 USMIBFKOAJVOPX-UHFFFAOYSA-N 398.721 4.651 0 40 GJAB COCCN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C1=O 409217404 UHXCKASTIYVXQU-XNTDXEJSSA-N 397.374 4.648 0 40 GJAB O=C(Nc1cccc(C2CCOCC2)c1)N[C@@H](Cc1ccccc1)c1ncco1 626878380 TZWDCLVPCCORIV-NRFANRHFSA-N 391.471 4.674 0 40 GJAB COc1ccc(-c2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)cc1 632686 FQHNCLHCHKWXFW-UHFFFAOYSA-N 376.363 4.547 0 40 GJAB Cc1cc(C)cc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C)C(=O)O)c1 799530 RFWOUCYBEZXBDI-KBXCAEBGSA-N 393.405 4.840 0 40 GJAB COC(=O)CSc1nc(CCc2ccccc2)nc2sc3c(c12)CCCC3 1372103 QMOWOKAHSAQBIN-UHFFFAOYSA-N 398.553 4.620 0 40 GJAB O=C1O[C@@H](Nc2nc(-c3ccc(Br)cc3)cs2)c2ccccc21 2200205 FDLXZIFBYKTEOJ-OAHLLOKOSA-N 387.258 4.854 0 40 GJAB CCc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)cc1 2452054 SHBUMXBFFYFPSY-UHFFFAOYSA-N 375.468 4.899 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2OC)cc1 3220550 QRJGMWXMCDTDMS-UHFFFAOYSA-N 399.450 4.809 0 40 GJAB Cc1sc2nc([C@@H](C)Sc3nc4cc(Cl)ccc4[nH]3)[nH]c(=O)c2c1C 4406878 ANEIVCGFTILYTE-SECBINFHSA-N 390.921 4.984 0 40 GJAB O=C([C@@H]1CCCN(Cc2cccc3ccccc23)C1)N1CCc2ccccc2C1 4745080 VLIHKSXDDPUCHU-XMMPIXPASA-N 384.523 4.637 0 40 GJAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1)c1cccc(Cl)c1 4887939 BXUPEAIAVQPVLA-SEJPIABJSA-N 386.898 4.795 0 40 GJAB Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)Nc2ccc(F)cc2)C3)cc1 4887986 JTZUTCPNERHURW-FRIKZZABSA-N 381.495 4.841 0 40 GJAB CC1(C)CC(=O)C2(Cc3cc(C(F)(F)F)ccc3N3CCCC[C@@H]32)C(=O)C1 4914288 BVNRUNJXQLENJS-MRXNPFEDSA-N 379.422 4.565 0 40 GJAB C[C@@H]1CN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)C[C@@H](C)O1 4942350 CQYLDUSZLQSUFQ-ZIAGYGMSSA-N 398.304 4.673 0 40 GJAB CCCCN(C(=O)COc1ccccc1)c1nnc(-c2ccccc2C)s1 4982410 ZXYNCGAIDKPKDQ-UHFFFAOYSA-N 381.501 4.726 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccc(C)c1 5500465 NTQOWUAWEFHKSE-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB CC1(C)C[C@@]2(c3ccccc3)C[C@@H](c3ccccc3)[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)O 5743105 WAFGKPZUKLMZJF-IYXACIGFSA-N 378.468 4.560 0 40 GJAB CCCn1c(O)c(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccccc21 5904470 WEDLHTHDAITCHM-UHFFFAOYSA-N 391.254 4.676 0 40 GJAB CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1C(C)C 6324790 VVPDKHBQYIGORL-GTQPVGENSA-N 399.472 4.944 0 40 GJAB COC(=O)c1ccc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2c1 6441060 PJFHDIVIKQNVEF-UHFFFAOYSA-N 387.269 4.704 0 40 GJAB Cn1c(NC(=O)C2CCCCC2)c(-c2ccccc2F)c(=O)c2ccccc21 6804529 SJGGPWXIFYOXCK-UHFFFAOYSA-N 378.447 4.863 0 40 GJAB CCN(C(=O)Nc1ccccc1C(=O)OC)c1nc(-c2ccc(C)cc2)cs1 6826675 UCBBNPBRKUAIIW-UHFFFAOYSA-N 395.484 4.964 0 40 GJAB Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(C)cc2C)c1 8476430 JPAOOTROPDFFOI-UHFFFAOYSA-N 396.494 4.790 0 40 GJAB CC[C@@H](C)Nc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 9622523 HTFMUBVNEBZHAW-CQSZACIVSA-N 376.439 4.909 0 40 GJAB O=C(Nc1ccccc1)c1ccccc1OCc1noc(-c2ccc(F)cc2)n1 12915701 HODVKDWOVAZNTL-UHFFFAOYSA-N 389.386 4.707 0 40 GJAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2F)c(OC)c1 13759143 MVSZIESXWTZSRG-AGILITTLSA-N 399.506 4.711 0 40 GJAB CC(C)c1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)on1 24047110 LITMDTIHBBIQBM-UHFFFAOYSA-N 396.287 4.853 0 40 GJAB COc1cc2c(cc1OC)CN(C(=O)c1ccccc1Nc1ccccc1)CC2 24754642 QLOXQYWIWFQXHA-UHFFFAOYSA-N 388.467 4.646 0 40 GJAB Cc1cccc(Cn2nccc2NC(=O)c2csc(-c3cccs3)n2)c1 30527084 ZPRPXKHMIPBMHS-UHFFFAOYSA-N 380.498 4.677 0 40 GJAB Fc1ccc(SC[C@H]2CSc3nnc(-c4ccncc4)n32)cc1Cl 30795075 UFRMGVXLYWFEHK-NSHDSACASA-N 378.885 4.572 0 40 GJAB CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 32611289 IMAIAEFVJYFAKI-UHFFFAOYSA-N 382.485 4.843 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c1C 32817217 JPIGUSULHVKGLR-UHFFFAOYSA-N 389.377 4.525 0 40 GJAB Cc1cc(I)ccc1NC(=O)CCSc1ccccc1 36626195 FQYWGYUXPWIASO-UHFFFAOYSA-N 397.281 4.721 0 40 GJAB CCc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 37208936 RQCNTPVLNFHBLG-NRFANRHFSA-N 382.554 4.958 0 40 GJAB COc1cc(NC(=O)Nc2nc3cc(C)c(C)cc3s2)cc(OC)c1OC 38671452 NDULJBJNHRDXCY-UHFFFAOYSA-N 387.461 4.583 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(Sc3nc(C)cs3)cc2)cc1 40146690 CENMQDWVBQFWNU-UHFFFAOYSA-N 376.528 4.712 0 40 GJAB Cc1nccn1C[C@@H](C)CNC(=O)c1ccc(-c2nc3ccccc3s2)s1 40156069 NAPVSMRPFDLWPZ-ZDUSSCGKSA-N 396.541 4.596 0 40 GJAB O=C(Nc1ccccc1F)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079069 IIWKANRPNSDLDM-UHFFFAOYSA-N 392.405 4.810 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccccc1OC(F)F 55043195 LCLKECWMCYGXFJ-UHFFFAOYSA-N 375.394 4.519 0 40 GJAB COc1cccc(CN[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 58219029 MNCLEOZSAWLUSA-SNVBAGLBSA-N 387.694 4.772 0 40 GJAB CC1(C)Oc2ccc(NC(=O)CCC(=O)c3ccc4c(c3)CCCC4)cc2O1 58370029 IUCYYVQVZMDYRR-UHFFFAOYSA-N 379.456 4.674 0 40 GJAB O=C(OCc1csc(Nc2ccccc2)n1)c1cc(F)c(F)c(F)c1F 61352140 GFXUHINTBKUONF-UHFFFAOYSA-N 382.338 4.800 0 40 GJAB Cc1ccc(F)c(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1 67298234 JCVUSJSBOKIQIU-NMWGTECJSA-N 395.415 4.527 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccn(Cc3ccccc3)n2)cc1OCCC 71936162 JOYLHWOZCLWKIR-UHFFFAOYSA-N 393.487 4.761 0 40 GJAB Cc1cccc2c1C(=O)N[C@@H](c1csc(-c3ccc(C(F)(F)F)cc3)n1)N2 84229764 JICLLNHDOMEGIT-INIZCTEOSA-N 389.402 4.991 0 40 GJAB COc1ccc(-c2nc(COC(=O)C(C)(C)N(C)C3CCCC3)cs2)cc1 95466534 OZRLWCZFCJLVIK-UHFFFAOYSA-N 388.533 4.515 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)on1 100743846 VTPIZYCPPZFJPB-OWLYRPNTSA-N 396.535 4.609 0 40 GJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCCc2ccccc21 219051830 DOACIYZKBGFWRT-LJQANCHMSA-N 388.511 4.566 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)ccc1Cl 219547546 GOKIASOJVIUCLZ-CQSZACIVSA-N 375.852 4.540 0 40 GJAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(SC)cc2)c2ccccc2O1 223621119 DIBQTTYDHCRPGE-SFHVURJKSA-N 391.558 4.769 0 40 GJAB CCCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224224569 TZHGTTCKFRILHM-JOCHJYFZSA-N 394.559 4.650 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)NCC(C)C 224876778 LPOBXGPVJKKCIE-KRWDZBQOSA-N 387.351 4.673 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1 225519473 YVIZLOCMNCKLRK-UHFFFAOYSA-N 390.508 4.939 0 40 GJAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2cccnc12 225872280 UDDAAKKVZCXMFA-UHFFFAOYSA-N 390.483 4.709 0 40 GJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O 244320023 XHVCEFRPPWYAMX-KRWDZBQOSA-N 384.907 4.765 0 40 GJAB COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OCc1ccc(C)cc1 256027951 LLQXTIBHJDSKDH-UHFFFAOYSA-N 388.423 4.824 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257212627 CEHBEPOWKYJHNY-INIZCTEOSA-N 387.892 4.661 0 40 GJAB Cc1ccc(Cc2cc(C)nc([C@@H]3CN(C(=O)c4ccccc4)CCO3)c2)cc1 257233500 GPODEBYXNJGULX-DEOSSOPVSA-N 386.495 4.503 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccccc3F)N21 260781552 SYFFIIKJXQZMMX-NQERJWCQSA-N 392.503 4.991 0 40 GJAB O=C(NCc1ccccc1)c1nc(-c2ccn(C3CCCC3)c2)n2ccccc12 306138481 RYMZWDODBOIZFE-UHFFFAOYSA-N 384.483 4.848 0 40 GJAB COc1c(F)c(F)c(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(F)c1F 408619991 FXHQDZPYXRIBKE-UHFFFAOYSA-N 396.384 4.740 0 40 GJAB CCCN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 409242752 SWQAPJKPVLJPNU-GXDHUFHOSA-N 378.906 4.855 0 40 GJAB COc1ccc(C2(CNC(=O)/C=C/c3ccccc3)CCCCC2)cc1OC 820024 QMDVIMHMQOVTIO-SDNWHVSQSA-N 379.500 4.735 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)c1 882858 MTSOACFDFMLTDY-UHFFFAOYSA-N 392.528 4.584 0 40 GJAB COc1ccc(OC)c(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C)c1 924401 DRYHXKSHHZROLR-UHFFFAOYSA-N 396.512 4.908 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc(Cl)c1 1410881 HJKFSNPURZFAGD-UHFFFAOYSA-N 389.691 4.782 0 40 GJAB CCCCCOc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)cc1 4199220 YAODUDGWWZSLCD-UHFFFAOYSA-N 386.517 4.566 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccccc2[C@H](O)c2ccc(Cl)cc2)cc1 4529507 DMCJEIBPWYWWES-HXUWFJFHSA-N 387.888 4.531 0 40 GJAB CCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)sc1C 4929144 NJVQONPWKHEWKY-VIFPVBQESA-N 385.407 4.610 0 40 GJAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc4ccccc34)n2)cc1 5180340 BHIYFKBCLXFCLL-UHFFFAOYSA-N 388.496 4.918 0 40 GJAB CC(C)C(=O)Nc1c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc2n1C 5427591 WYJHICGESABNFZ-UHFFFAOYSA-N 388.389 4.819 0 40 GJAB O=C(O)c1cc(-c2ccc3c(c2)OCCO3)nc2c(Cl)ccc(Cl)c12 5865902 GDUYMGCGBZRTCN-UHFFFAOYSA-N 376.195 4.678 0 40 GJAB COc1cc2sc(NC(=O)c3cccc(OC(C)C)c3)nc2cc1Cl 6307310 KJNDFWZZEFLMFE-UHFFFAOYSA-N 376.865 4.998 0 40 GJAB CC(=O)CCc1ccc(OCCCCN2CCCC[C@@H]2c2cccnc2)cc1 6624525 ZDJWZOVLYUADGD-XMMPIXPASA-N 380.532 4.989 0 40 GJAB biogenic CCOc1c(Cl)cc(C(=O)Nc2ccccc2Br)cc1OC 6892245 RBZDZESSDILTPT-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 7995658 LMFZJOLNYICZMB-UHFFFAOYSA-N 394.496 4.948 0 40 GJAB CCc1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(Br)c1 8200329 GGLCNZFUULOVHE-UHFFFAOYSA-N 382.685 4.991 0 40 GJAB CCOCCCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 8253145 UEXSHOTYNDFLAQ-UHFFFAOYSA-N 395.902 4.973 0 40 GJAB Cc1ccc(NC(=O)N(Cc2cccc(C)c2)c2nnc3n2CCCCC3)cc1 8550216 SKJPDQRZEJMWHT-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB CSc1nsc(SCC(=O)c2ccc([C@H]3CC3(Cl)Cl)cc2)n1 9146290 PHINRELIYFULFS-SNVBAGLBSA-N 391.370 4.896 0 40 GJAB CC(=O)c1ccccc1NCC(=O)N[C@H](c1ccc(C)cc1)c1cccs1 9220432 ZOLGHJJGVHBEQN-JOCHJYFZSA-N 378.497 4.577 0 40 GJAB CCOc1cc(CNCc2ccccc2)ccc1OCCOc1ccc(F)cc1 9537250 OJSYZDPNBIPWTI-UHFFFAOYSA-N 395.474 4.972 0 40 GJAB CCOC(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 10899812 BVGQHQPGLVHMIN-UHFFFAOYSA-N 395.503 4.518 0 40 GJAB CC(=O)Nc1ccc(C(=O)COC(=O)c2sc3ccccc3c2Cl)cc1 11331624 VOWQDWYONRRMKL-UHFFFAOYSA-N 387.844 4.553 0 40 GJAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1c(C)cccc1C 11692517 KNGZRLRRNGXQTG-JOCHJYFZSA-N 391.515 4.806 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 12232663 ZIKVJYVBTMSQFO-UHFFFAOYSA-N 380.469 4.554 0 40 GJAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(C1CCCCC1)C3 13734627 ZEAODMXORITUDV-UHFFFAOYSA-N 391.467 4.953 0 40 GJAB biogenic Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13777264 VVUPZNIMWNJEHN-AUSIDOKSSA-N 388.398 4.797 0 40 GJAB CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 14186250 LXDSQQMZEWMMKL-UHFFFAOYSA-N 380.275 4.658 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCc2csc(-c3ccccc3)n2)ccc1Cl 15832358 PQTAIYMMLRPWRB-CQSZACIVSA-N 386.904 4.856 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)c1 17077825 KIMMMCNTMIUJAW-UHFFFAOYSA-N 380.517 4.645 0 40 GJAB Cc1ccccc1CSCC(=O)NCCSCc1ccc(Cl)cc1 20237688 HYTCSJZARVEPMY-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)c1nc2ccccc2c(=O)[nH]1 21332128 OCRJTTDMUWQCRP-NSHDSACASA-N 398.538 4.753 0 40 GJAB Cc1ccc(CCC2CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)cc1 22068554 JHOJPPWDSHVWBL-UHFFFAOYSA-N 379.500 4.528 0 40 GJAB COc1cccc(CNC(=O)CSC(c2ccccc2)c2ccccc2)c1 31437170 IMUMQPBEFLVEIV-UHFFFAOYSA-N 377.509 4.834 0 40 GJAB O=C(COc1cc(-c2ccccc2)nc2ccccc12)Nc1ccc2c(c1)OCO2 32985684 WXRPFKCGZJJHEY-UHFFFAOYSA-N 398.418 4.648 0 40 GJAB Cc1ccc2[nH]c(CSCC(=O)Nc3ccc(C)c(Cl)c3)cc(=O)c2c1 33064017 DUFHWWIBZPUZHW-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB COc1ccc(/C=C2/S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)cc1 35644544 SOLLAWXSUQRYGV-OVCLIPMQSA-N 379.268 4.894 0 40 GJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 38500879 URHBJTAEJNLRSE-RDJZCZTQSA-N 387.499 4.745 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCc2[nH]c3ccccc3c2C1 40097061 IZAVLGRSLPPMHE-UHFFFAOYSA-N 375.350 4.657 0 40 GJAB CC(C)Oc1ccc(CNC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 43976039 LLEDHEVVGHUTCZ-UHFFFAOYSA-N 393.443 4.641 0 40 GJAB O=C(NC[C@@H](C(=O)O)C1CCCCC1)OCC1c2ccccc2-c2ccccc21 44546652 MYCOAJZXTGFHDZ-OAQYLSRUSA-N 393.483 4.806 0 40 GJAB O=c1cc(CN2CCC[C@H]2c2ccccc2)c2ccc(Br)cc2o1 57607544 YTEAIRDVEJHEFO-SFHVURJKSA-N 384.273 4.893 0 40 GJAB O=C(CCC(=O)N1CCC[C@@H]1c1cccc(Br)c1)c1ccccc1 57995427 OHOANNHLUQKOLD-GOSISDBHSA-N 386.289 4.776 0 40 GJAB O=c1c2ccccc2ncn1CCCOc1c(Cl)cc(Cl)cc1Cl 58159016 FJUREMHJCFPCRJ-UHFFFAOYSA-N 383.662 4.826 0 40 GJAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)CCOc1ccccc1F 58289241 ZEWILXLKRKVUNG-ZDUSSCGKSA-N 375.831 4.601 0 40 GJAB CCCC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccccc3Cl)c2)c1C 64395715 ARVCEEQPJZBUGN-UHFFFAOYSA-N 396.878 4.825 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)c1cccc[n+]1[O-] 65123473 STUJJMZTQWOWCG-UHFFFAOYSA-N 392.308 4.523 0 40 GJAB COc1cc(C2(C(=O)N3CCC(Nc4ccccc4Cl)CC3)CC2)ccc1C 69930464 QEKUGLYRCLAIAN-UHFFFAOYSA-N 398.934 4.792 0 40 GJAB CCCCNc1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72213636 SOBVUUVEHCNQTJ-FQEVSTJZSA-N 387.549 4.518 0 40 GJAB Cc1cc(-c2cncnc2)cc([C@H]2CCCN(Cc3cccc4ncccc34)C2)n1 72353745 YEVMYQHUFABTHL-FQEVSTJZSA-N 395.510 4.775 0 40 GJAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 72356082 NVFGPWJYEJHVQZ-HSZRJFAPSA-N 385.511 4.704 0 40 GJAB Cc1cccc(C2(O)CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c1C 78878496 KMJFCYHSUOEQQS-UHFFFAOYSA-N 378.299 4.734 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 95116891 FWBOUBHBXOHMGY-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1c(C(=O)O)cnn1-c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 95424272 IHBSSFDRMVUMCR-UHFFFAOYSA-N 397.434 4.798 0 40 GJAB OC1=Nc2c(cnn2-c2ccccc2F)[C@@H](c2ccc(O)c(Cl)c2)SC1 95479801 BPVQSBZYEPCFFR-QGZVFWFLSA-N 389.839 4.795 0 40 GJAB Cc1ccccc1NC(=O)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 96037987 NLWYLGBQQFBYQX-UHFFFAOYSA-N 393.450 4.748 0 40 GJAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)C1 96122448 NTKSCMBUKHKQKY-GOSISDBHSA-N 378.394 4.573 0 40 GJAB O=C(O)/C(=C/c1ccc(O)c(Br)c1)Sc1nc2ccccc2o1 208842239 NEINLOWWKJZKLW-ZSOIEALJSA-N 392.230 4.514 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 222988314 RFDMODPYLURYKP-OAQYLSRUSA-N 382.504 4.629 0 40 GJAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(C)c1 224892739 WEJWRYGEXCSXHW-IBGZPJMESA-N 386.495 4.976 0 40 GJAB O=C(NCc1cccnc1-c1ccco1)C1c2ccccc2Oc2ccccc21 225660592 LTDGFEQOSRFXII-UHFFFAOYSA-N 382.419 4.896 0 40 GJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225821920 KDZHADUIIPGUSL-BTYIYWSLSA-N 379.497 4.574 0 40 GJAB CCOC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Br)cc3)nc2c1 226344427 OCZJFDGWZPPYCF-UHFFFAOYSA-N 379.641 4.823 0 40 GJAB CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)on1 257293997 QRZPVEKELSCVHU-INIZCTEOSA-N 397.450 4.536 0 40 GJAB Cc1ccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@@H]3[C@]2(O)C(F)(F)F)cc1 409097254 MXIKOOFOISRKOL-DOXZYTNZSA-N 382.426 4.520 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2cccc(F)c2F)N1c1cccc(F)c1 1615154726 HAWGTQRLAOLAAB-OALUTQOASA-N 388.433 4.766 0 40 GJAB COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1 691593 MPZCYDCUUJJHOQ-UHFFFAOYSA-N 381.501 4.798 0 40 GJAB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1C 853652 SGVOVEXGGMXLRQ-UHFFFAOYSA-N 383.542 4.918 0 40 GJAB Cc1cc(C)cc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 1359666 ROVDQKYUZKAOMR-KRWDZBQOSA-N 379.435 4.512 0 40 GJAB c1ccc(COc2nc(OCc3ccccc3)nc(OCc3ccccc3)n2)cc1 1653009 QNWCYDNXMANIFZ-UHFFFAOYSA-N 399.450 4.609 0 40 GJAB COc1cc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 2622270 VGSUXRWUTZMXEX-UHFFFAOYSA-N 384.259 4.591 0 40 GJAB Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)cc1 2703975 JJRWWMPRHZWUAG-QFIPXVFZSA-N 397.430 4.552 0 40 GJAB COC(=O)c1c(NC(=O)c2c(-c3ccccc3)noc2C)sc2c1CCCC2 2739725 IDARBZZTESIHCV-UHFFFAOYSA-N 396.468 4.629 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N(C)C)cc3)cc12 3212841 YNONHXIGLOMUSE-UHFFFAOYSA-N 376.485 4.714 0 40 GJAB C[C@@H](NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 3301789 WKXVPBNNNWFVTF-MRXNPFEDSA-N 387.435 4.549 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccccc3SC)n2)cc1OC 3378883 JKARZJNDNNBOAS-UHFFFAOYSA-N 386.498 4.802 0 40 GJAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)n1c(C(F)(F)F)nc2ccccc21 4025135 FTJQNYIDWBORII-NSHDSACASA-N 381.785 4.586 0 40 GJAB O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4088757 WHXLRGSBMULVFQ-UHFFFAOYSA-N 387.867 4.593 0 40 GJAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(=O)c2ccccc2o1 4134648 PMBKLMPTUXMURO-UHFFFAOYSA-N 382.375 4.854 0 40 GJAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)N1CCc2ccccc21 4161681 JMKJPKYJEYAXRN-UHFFFAOYSA-N 397.503 4.978 0 40 GJAB Cc1cc(C)c2cc(CN(C(=O)c3ccco3)C3CCCCC3)c(=O)[nH]c2c1 4231031 SAUIJVSEQIFNKV-UHFFFAOYSA-N 378.472 4.713 0 40 GJAB COc1ccc(-c2nnc(NC(=O)c3ccccc3Oc3ccccc3)o2)cc1 4276103 SQUHZYKZUVILNV-UHFFFAOYSA-N 387.395 4.790 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2Br)nc2ccccc21 4289605 USNHUIXWMCYUPJ-UHFFFAOYSA-N 390.306 4.550 0 40 GJAB C[C@H]1CCC[C@H](N2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 4745309 UWADVROSAKPYEC-OYDLWJJNSA-N 382.592 4.758 0 40 GJAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)cc1 4784238 VEQQZGYSGAQWCE-SANMLTNESA-N 399.490 4.565 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)NC2=S)cc1 5068839 OAIMCBZPPIAARN-SXGWCWSVSA-N 393.295 4.654 0 40 GJAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(OC)cc3)o2)cc1 5170238 VOBHJJYJWWOWGS-ZDUSSCGKSA-N 384.457 4.507 0 40 GJAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3cccc4cccnc34)c2n1 5274218 FZFNGPOVLCKAIC-UHFFFAOYSA-N 394.478 4.785 0 40 GJAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1 5570023 MLPNOVLGSFRBDF-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB C[C@H](Sc1ccccn1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5622323 BPFHPNMKZGBEDK-JTQLQIEISA-N 377.441 4.603 0 40 GJAB CCn1ccc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)n1 6490324 FIYXFGTYJVDMTO-LMHQLLPBSA-N 394.559 4.789 0 40 GJAB C[C@@H](CCCNC(=O)c1ccc(Cl)cc1)CNC(=O)c1ccc(Cl)cc1 6850733 BRTGBFSHCWNLRQ-AWEZNQCLSA-N 393.314 4.570 0 40 GJAB CCCN1C(=O)S[C@H](Cc2ccccc2OCc2ccccc2Cl)C1=O 6879268 OBNSLVLMINNNFO-GOSISDBHSA-N 389.904 4.936 0 40 GJAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccccc4F)c(=O)c23)s1 7015797 SPVOBJGIMCSJSE-UHFFFAOYSA-N 384.457 4.517 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc2ccccc2o1 7191789 VWPRGBBZXKWEJO-LBPRGKRZSA-N 383.498 4.749 0 40 GJAB Cc1ccc(-c2csc(NC(=O)CCC(=O)OCc3ccc(F)cc3)n2)cc1 8040441 WNGQSEBLOPVKGY-UHFFFAOYSA-N 398.459 4.720 0 40 GJAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCC[C@@H]1c1nc2ccccc2s1 8076239 MZWAZGUROCTNJC-QXLXQBSBSA-N 392.480 4.792 0 40 GJAB Cc1cccc2nc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)cn12 8232002 OOJBJGHDLOPXFU-QGZVFWFLSA-N 376.485 4.620 0 40 GJAB NC(=O)N[C@@H](CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1Cl 9335552 UIKRGADUMVBPKC-FQEVSTJZSA-N 393.874 4.745 0 40 GJAB CC(C)[C@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc12)c1ccccc1 10494349 GGMLTPFEIOACBN-QHCPKHFHSA-N 389.499 4.817 0 40 GJAB CCOc1ccc(NC(=O)[C@H](C)Sc2cc(-c3ccccc3)ncn2)cc1 12016788 FVFXWBLYDQJAHH-HNNXBMFYSA-N 379.485 4.662 0 40 GJAB Cn1c(C[C@H](NC(=O)c2ccc(Cl)cc2)c2ccccc2)nc2ccccc21 12628684 XSHCVUFCWQHAJV-FQEVSTJZSA-N 389.886 4.941 0 40 GJAB O=S(=O)(N[C@H]1CCSc2c(F)cccc21)c1cccc(Cl)c1Cl 12756753 KMQOYUVLOIJXRO-LBPRGKRZSA-N 392.304 4.648 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCc2sccc2C1 12847260 VCBPGZKITUSGEA-QFIPXVFZSA-N 392.524 4.885 0 40 GJAB COc1cc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c(OC)cc1Cl 13709439 YCZQHHRNNKAHLM-CYBMUJFWSA-N 385.847 4.916 0 40 GJAB Cc1ccc(C)c(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 13844123 QXNDKTOYVDYXAD-ULBZPVTCSA-N 379.459 4.700 0 40 GJAB CCCCc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1 16263037 MPWINSVHZKFDHU-HXUWFJFHSA-N 381.907 4.936 0 40 GJAB COc1cc(/C=C2\SC(=N)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1O 16312075 LGLBQBSHVDSNEE-HOEQWYPASA-N 388.876 4.727 0 40 GJAB CC(C)(C)c1ccc(C(=O)N[C@H](N2CCCCC2)C(Cl)(Cl)Cl)cc1 19315916 JQAJHLAPGHANCW-MRXNPFEDSA-N 391.770 4.896 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3[C@@H]3CCSC3)cc2n1 19452348 MVBIPXIGMVJCHG-DOMZBBRYSA-N 384.471 4.514 0 40 GJAB O=C(c1ccccc1)N1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19693000 ZQBYLFPEXKUCRY-QFIPXVFZSA-N 392.886 4.540 0 40 GJAB C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@@](=O)Cc1cccc(Cl)c1 24829293 FTWPSMBKSKPHQB-DLUDVSRJSA-N 377.937 4.913 0 40 GJAB Cc1nc2cc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)ccc2o1 27379558 QFBYIQWRZIFFAP-UHFFFAOYSA-N 395.422 4.636 0 40 GJAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)oc2ccc(F)cc12 27583620 NCURCIJIEZOURL-KRWDZBQOSA-N 386.492 4.899 0 40 GJAB CCn1ncc(Br)c1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 28223903 QARMCPKHCZWOCR-UHFFFAOYSA-N 397.487 4.878 0 40 GJAB O[C@H](CN1CCc2ccccc2C1)Cn1c2c(c3cccc(Cl)c31)CCCC2 28296808 QKFZOMGHFZCHBG-LJQANCHMSA-N 394.946 4.593 0 40 GJAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cn1 29461499 RMKZHDBYOGSRNP-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB O=C(Nc1cccc(C2SCCCS2)c1)c1cc(Br)c[nH]1 31492724 DKOOLDXJOZKHSE-UHFFFAOYSA-N 383.336 4.898 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H](c1ccccc1Cl)N(C)C 39979600 VHHYGJIIOPPEEA-QFIPXVFZSA-N 382.939 4.535 0 40 GJAB CCOc1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cccnc1 40068813 ROZAJMGFAGBATC-KRWDZBQOSA-N 376.456 4.550 0 40 GJAB FC(F)(F)c1ccc2c(c1)CCCN2Cc1csc(-c2ncccn2)n1 52584463 CBVUCSRFEMXEIL-UHFFFAOYSA-N 376.407 4.572 0 40 GJAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2nnc(C(C)C)s2)cc1C 65575195 STLCWVWHUNABQS-UHFFFAOYSA-N 379.485 4.762 0 40 GJAB COc1cccc(-c2cc3c(N4CC=C(c5ccccc5)CC4)nccn3n2)c1 67284843 RPKOGBUYJZWFEB-UHFFFAOYSA-N 382.467 4.699 0 40 GJAB Cc1ccc(NC(=O)N2CCO[C@@H]3CCCC[C@H]32)c(OCc2ccccc2)c1 69388289 PEVUZZDIPHXTAZ-NHCUHLMSSA-N 380.488 4.749 0 40 GJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc(-c2ccccc2)no1 71844281 AWJLHNKMHBFDCF-LEWJYISDSA-N 389.499 4.854 0 40 GJAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cc2ccccc2cc1OC 72228901 ALPIACLOTZCKHS-UHFFFAOYSA-N 386.455 4.552 0 40 GJAB Cc1ccc([C@@H]2CCCCN2C(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1 78870292 DPPWKZBJUBJTSL-QFIPXVFZSA-N 390.531 4.649 0 40 GJAB COc1ccc(/C=C/c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 80346263 XBKNAJXLUTXOCG-QPJJXVBHSA-N 392.528 4.833 0 40 GJAB Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 84052938 JEDDPSUJSSURTG-YJBOKZPZSA-N 386.448 4.501 0 40 GJAB C[C@H](CC(=O)c1ccccc1)NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 84636736 FKGBSCNBVSLEGU-HUUCEWRRSA-N 377.406 4.977 0 40 GJAB COc1ccc(-c2coc3cc(OCc4csc(C)n4)ccc3c2=O)cc1 95457396 DVKSGFRMUDTPCS-UHFFFAOYSA-N 379.437 4.813 0 40 GJAB CC1(C)CC(=O)N(CCCC(=O)Nc2cccc3cccnc23)c2ccccc21 96184050 XJJQEPKKWIKAJJ-UHFFFAOYSA-N 387.483 4.668 0 40 GJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2C(N)=O)C1 102173084 NEEWECOJLDTDDK-HGTKMLMNSA-N 388.577 4.763 0 40 GJAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1 102703807 SOZJITLHFNOERV-VGSWGCGISA-N 386.455 4.660 0 40 GJAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O 103718916 QUVMYBAHZXXXMN-LLVKDONJSA-N 397.689 4.947 0 40 GJAB CCOC(=O)N1[C@H]2c3ccccc3[C@@H](c3cc(Cl)ccc32)N1C(=O)OCC 103932851 YFNSJJUPTSYRJS-ROUUACIJSA-N 386.835 4.678 0 40 GJAB O=C(NCCn1ccc(-c2ccsc2)n1)Nc1ccc(Cl)c(Cl)c1 217889924 XSCDEGIRTSXDEE-UHFFFAOYSA-N 381.288 4.740 0 40 GJAB CC[C@@H](NC(=O)COc1cccc2ccccc12)c1ccc(OC)c(OC)c1 218915764 ZOYXFOJAFGEPLJ-LJQANCHMSA-N 379.456 4.503 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 218920521 VWYWVOFTVGFXIG-UHFFFAOYSA-N 389.879 4.931 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223732546 JCALAMUTKNXNLC-NRFANRHFSA-N 383.532 4.899 0 40 GJAB CCCCOCc1cc(C(=O)Nc2cc(Cl)ccc2OC)ccc1OC 224439269 GWXRARDNKWDTDL-UHFFFAOYSA-N 377.868 4.926 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(OC)c(OC)c2)cc1 225498034 OAGPXGXDXWZKLK-SFHVURJKSA-N 388.533 4.786 0 40 GJAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225607638 HQZCYYCXTKYGLR-QHCPKHFHSA-N 390.568 4.721 0 40 GJAB O=c1oc2ccccc2cc1-c1ccc(I)cc1Cl 226358515 CRIQJXRPWJXTGT-UHFFFAOYSA-N 382.584 4.718 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 242954667 HGZGVYXUWNUFNG-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB Fc1ccccc1-c1noc(-c2cncnc2NCc2ccccc2Cl)n1 252492522 MOLOLJRXNCAHPB-UHFFFAOYSA-N 381.798 4.598 0 40 GJAB CC(C)C(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(F)ccc2O)C1 257199931 ABIBYSJLQJKQSM-TUNNFDKTSA-N 389.442 4.794 0 40 GJAB COC(=O)c1ccc(Nc2nc(-c3cc(C)ccc3C)c(CC(=O)O)s2)cc1 408896805 SZOQAOGWNAWJCG-UHFFFAOYSA-N 396.468 4.584 0 40 GJAB O=C(O)c1ccc(=O)n(C[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 585260821 KAVBOIMFSMBXNX-GOSISDBHSA-N 392.842 4.513 0 40 GJAB COc1ccc(CN(C(=O)C[C@@]23CCCC[C@H]2C3(F)F)c2ccncc2)cc1 622811518 ZFUMVDBVSMLSOO-CTNGQTDRSA-N 386.442 4.839 0 40 GJAB O=C(Nc1ccccc1F)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919319 BNKUPZYYAVXBDX-WFASDCNBSA-N 394.328 4.528 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3 1246422 PEPLRSOXCXBORF-UHFFFAOYSA-N 385.876 4.612 0 40 GJAB Cc1nc(SCC(=O)N2CCCCCC2)c2c3c(sc2n1)C[C@@H](C)CC3 1326286 AITUAKXUZQUMPY-ZDUSSCGKSA-N 389.590 4.619 0 40 GJAB O=C(CSc1nc(C2CCCCC2)nc2ccccc12)Nc1nccs1 1376450 UTYJFRHYCVMFDK-UHFFFAOYSA-N 384.530 4.865 0 40 GJAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCc4ccco4)c23)CO1 2215735 GEJRVEUMHFKWQH-SFHVURJKSA-N 375.519 4.860 0 40 GJAB COc1cc2nc(-c3ccccc3)nc(N3CCc4ccccc4C3)c2cc1OC 2226906 SEQYFDDMOQNPCD-UHFFFAOYSA-N 397.478 4.877 0 40 GJAB Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1 2256080 SGSMWVCYVASRLN-RPWUZVMVSA-N 392.462 4.799 0 40 GJAB CCOc1ccc(NC(=O)c2sc3nc(-c4cccnc4)ccc3c2N)cc1 2352418 BMJOWMOPJVFQTM-UHFFFAOYSA-N 390.468 4.592 0 40 GJAB CCOc1ccccc1NC(=O)CSc1ncnc2c1oc1ccccc12 2722809 YDIYGUJBMHNODQ-UHFFFAOYSA-N 379.441 4.506 0 40 GJAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1 3169194 RWDBCGSWCHYOCP-UHFFFAOYSA-N 396.497 4.544 0 40 GJAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 3182827 LWWNPLIIXRJOOG-UHFFFAOYSA-N 376.243 4.505 0 40 GJAB Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3316855 ZIIFRYUQXZASRN-UHFFFAOYSA-N 386.407 4.599 0 40 GJAB Cc1sc2ncnc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2c1C 3377117 OJIXHCJAPGIEIZ-UHFFFAOYSA-N 382.272 4.632 0 40 GJAB COc1ccc(-n2cnnc2SCc2cnc(-c3ccccc3)s2)cc1 3413460 QJAHQVHNBHPSJF-UHFFFAOYSA-N 380.498 4.692 0 40 GJAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC1(c1ccccc1)c1ccccc1 4027803 KHFKPQUVHDDJDC-TUACAJSNSA-N 389.539 4.800 0 40 GJAB biogenic O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1cccc(Br)c1 4138207 NGOFFAOYAIHQCB-UHFFFAOYSA-N 383.289 4.739 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)c(C)c1 4169405 HUGYMRCSEVANHW-KIMHZCHSSA-N 396.560 4.783 0 40 GJAB Cc1nc2sc([C@@H](c3ccccc3Cl)N(C)Cc3ccccc3)c(O)n2n1 4340817 FIDRHXFFJQWSMH-QGZVFWFLSA-N 398.919 4.680 0 40 GJAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 4816608 VMMMUFRJDBQJJE-ZWKOTPCHSA-N 384.842 4.548 0 40 GJAB Cc1ccc(NC(=S)N2[C@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c(C)c1 4857373 GAAAWNWBVOYBLN-AYHJJNSGSA-N 387.593 4.548 0 40 GJAB O=C(NCCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1 4919336 REWZXCZCQRLMDJ-UHFFFAOYSA-N 389.886 4.711 0 40 GJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 4952376 KZEUCZRPRCJIGP-UHFFFAOYSA-N 387.892 4.992 0 40 GJAB CCOc1ccc2c(c1)S/C(=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)N2 6016494 UJANDNNUTIJKBO-WDZFZDKYSA-N 387.329 4.866 0 40 GJAB COc1cc(C)c(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 6207069 VCYJTMGCSUNDRQ-ODLFYWEKSA-N 383.469 4.557 0 40 GJAB Cc1cc(S(=O)(=O)Nc2cccc3ccccc23)ccc1Br 6315936 PLYGIVCAZUIRBB-UHFFFAOYSA-N 376.275 4.712 0 40 GJAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O 7071563 KQEWCEFKVJPXEM-OOWUWCJESA-N 395.480 4.783 0 40 GJAB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c1 8166620 JQPVRTMVTFCPHC-LZYBPNLTSA-N 377.824 4.724 0 40 GJAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC[C@H]2CCCC[C@H]21 8340671 LTOIMCVVJWRLNI-XMSQKQJNSA-N 386.499 4.729 0 40 GJAB O=C(CCSc1nccn1-c1cccc(Cl)c1)Nc1ccccc1F 12520042 RCBCKCPLBNSWBM-UHFFFAOYSA-N 375.856 4.786 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12881232 MDWUSBDCJZLFRO-UHFFFAOYSA-N 395.890 4.727 0 40 GJAB O=C(CSCc1nc(-c2ccccc2Cl)no1)Nc1ccc(Cl)cc1 12915622 RDFUQKNYKYSCCE-UHFFFAOYSA-N 394.283 4.915 0 40 GJAB COc1ccc2c(C)cc3nn(CN4CCC[C@H]5CCCC[C@@H]54)c(=S)n3c2c1 13097675 VEAGFMGVFNJHKI-APWZRJJASA-N 396.560 4.948 0 40 GJAB Cc1cc(OCC(=O)NCc2csc(-c3ccccc3)n2)cc(C)c1Cl 15832383 NJOQSKQOUFXMBF-UHFFFAOYSA-N 386.904 4.776 0 40 GJAB Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc2ccccc2c(=O)n1C 16840552 BVMDSUYFKAQOFT-UHFFFAOYSA-N 397.887 4.843 0 40 GJAB C[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2C1 17192301 ZTXBFFRIMLSCDV-PQDLHQDHSA-N 384.479 4.975 0 40 GJAB Cc1cc(O)nc(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)n1 18227519 OWGVRWIJJNAAIE-UHFFFAOYSA-N 375.453 4.614 0 40 GJAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1 20141977 MKRWIWXGWUQSOS-OAHLLOKOSA-N 395.455 4.877 0 40 GJAB C[C@@H](c1ccccc1)N1CCN([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 22914325 CUXKYTFOCYWFKB-DLBZAZTESA-N 396.922 4.830 0 40 GJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Cl)cc1F 24562753 IBFIYNINBCSPHU-LJQANCHMSA-N 383.854 4.531 0 40 GJAB CC(C)(C)c1ccc(Cc2nnc(SCc3cccc(F)c3)nc2O)cc1 24747886 AQAORESIVZBYCX-UHFFFAOYSA-N 383.492 4.897 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccccc2)[nH]c1=S 25105077 XFKXFXWRKPORCE-ZDUSSCGKSA-N 381.530 4.868 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2ccccc2SCc2c(C)noc2C)c1 27481004 HWHRWSNERCSGEE-UHFFFAOYSA-N 395.484 4.794 0 40 GJAB COc1cccc(-c2noc(CS[C@@H](C)C(=O)Nc3cc(C)ccc3C)n2)c1 32779083 OEXJNHLCOUEIRM-HNNXBMFYSA-N 397.500 4.622 0 40 GJAB Cc1ccccc1Nc1nnc(SCCC(=O)N2CCc3ccccc32)s1 32871006 BVDBQGHXTQKLRT-UHFFFAOYSA-N 396.541 4.662 0 40 GJAB O=C1S/C(=C\c2cccs2)C(=O)N1Cc1ccc(Br)cc1 35900771 ZVGAHTKWLJIHGW-JYRVWZFOSA-N 380.288 4.747 0 40 GJAB CC(C)(C)c1n[nH]cc1CN(CCCn1ccnc1)Cc1ccccc1Cl 36740308 KHLZGILNSQZKHK-UHFFFAOYSA-N 385.943 4.650 0 40 GJAB COc1cc(CN(C)C(=O)c2cc(Cl)c[nH]2)ccc1OCc1ccccc1 39995553 ZWBWJIFUTBMRBQ-UHFFFAOYSA-N 384.863 4.528 0 40 GJAB Cc1nc2cc(NC(=O)c3sc(Cc4ccc(F)cc4)nc3C)ccc2o1 40088904 SLZZKEDKURIZEI-UHFFFAOYSA-N 381.432 4.883 0 40 GJAB Cc1nc(COc2cccc(C(=O)N3CCCc4ccc(F)cc43)c2)cs1 40117284 WHSUMGQEGMIION-UHFFFAOYSA-N 382.460 4.763 0 40 GJAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C)c1ccccc1 40142837 NDAHCHHMWHKZLL-CQSZACIVSA-N 382.460 4.939 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(OC)c(Cl)cc1OC 44946573 KQLKAAVXIVATST-AWEZNQCLSA-N 384.259 4.807 0 40 GJAB C[C@H](Sc1nnc(COc2ccccc2Cl)o1)c1nc(C(C)(C)C)no1 48324986 PPDMMADWWRZSKV-JTQLQIEISA-N 394.884 4.836 0 40 GJAB CCCc1noc([C@@H](C)Nc2ccc(NC(=O)OC(C)(C)C)c(OC)c2)n1 56178551 JUHSIKKKWXHUHP-GFCCVEGCSA-N 376.457 4.551 0 40 GJAB CCC(C)(C)n1nnnc1CN(Cc1ccccc1)Cc1ccccc1Cl 57614033 MYFHEUCLMHQRCZ-UHFFFAOYSA-N 383.927 4.674 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccnc3cc(-c4cccc(F)c4)nn23)C1 57729212 ZTTSVMMVIDUBMN-MRXNPFEDSA-N 396.466 4.650 0 40 GJAB O=C(CSCc1ccccc1Br)NCc1cccc(Cl)c1 57985773 NMVYSIQVUXHIIS-UHFFFAOYSA-N 384.726 4.652 0 40 GJAB Cc1cc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1Oc1cccnc1 63165068 RTUKAECVSQQWAB-AWEZNQCLSA-N 379.382 4.989 0 40 GJAB CN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)Cc1ccsc1 71810950 VQQZAQYEJHLWDR-KRWDZBQOSA-N 383.344 4.850 0 40 GJAB c1cnc2ccc(CN3CCC[C@H]3c3ccnc(Nc4nccs4)n3)cc2c1 72377993 WSLSDQOKRVXBIT-IBGZPJMESA-N 388.500 4.562 0 40 GJAB O=C(Nc1ccc(N2CCCC2)c(F)c1)Nc1ccc(N2CCCC2)c(F)c1 84350555 NVVXSXSRYRQJHP-UHFFFAOYSA-N 386.446 4.809 0 40 GJAB Cc1sc2ncnc(NCc3cccc(C(=O)N4CCCCC4)c3)c2c1C 95951799 WFOSJHUYDKPLHV-UHFFFAOYSA-N 380.517 4.546 0 40 GJAB C[C@@H]1CCCN1C(=O)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1 96155412 GNPKKKIVCABLFY-MRXNPFEDSA-N 388.446 4.556 0 40 GJAB O=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2ccccc2Cl)CC1 96625886 QCSUOXYREQWXPC-UHFFFAOYSA-N 391.342 4.564 0 40 GJAB CC1=C[C@@H](C)[C@]2(COC(=O)CN3CCCCC3)CO[C@@H](c3ccccc3)[C@@H]1[C@H]2C 100742490 HNJMMPWWHNRBHV-IFDNJSJMSA-N 397.559 4.622 0 40 GJAB C[C@H](NC(=O)c1cc(Br)ccc1OC(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 103152831 NCROOAVJCNIGNZ-ZPFDUUQYSA-N 388.252 4.605 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 222891769 ULDZHRJVFFDAAA-VQTJNVASSA-N 381.476 4.863 0 40 GJAB Cc1ccc(OCCNC(=O)CSCc2c(F)cccc2Cl)c(C)c1 223456647 GQMNJVDOSBZSBM-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1C 223931698 JAHSLDLKLYRRFQ-KRWDZBQOSA-N 375.896 4.536 0 40 GJAB Cc1nccn1-c1ccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 225456631 YTMGTRKEAFWYLJ-UHFFFAOYSA-N 390.434 4.686 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1cccc(Br)c1 225621660 BYUBYDNOMSIFOZ-QGZVFWFLSA-N 388.305 4.719 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225678247 AKVQRRMGKSJAOF-GOSISDBHSA-N 398.528 4.679 0 40 GJAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 226347964 ABOBNZNLKAITBQ-UHFFFAOYSA-N 375.197 4.683 0 40 GJAB CCCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408556615 JTKUSTGMWMKZLG-IBGZPJMESA-N 377.893 4.916 0 40 GJAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccco1 408559698 BHILQORMWQHJCA-ZPHPHTNESA-N 391.290 4.642 0 40 GJAB CSCc1cccnc1C(=O)N(C)c1ccc(Br)cc1Cl 583057281 NNGNKNYIZWACPW-UHFFFAOYSA-N 385.714 4.637 0 40 GJAB Nc1c2c(nc3c1cnn3-c1ccccc1)C[C@H](c1cccc(Cl)c1)CC2=O 584906317 YETGNAXJFQPDGN-AWEZNQCLSA-N 388.858 4.569 0 40 GJAB CC1(C)CCc2ccccc2[C@@H](NC(=O)N[C@H]2COc3cc(F)ccc3C2)C1 1565098798 JEKHGLCATNWGAS-QUCCMNQESA-N 382.479 4.532 0 40 GJAB c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCc4ccccc4C3)n2)cc1 1456148 GIBUNHKOEORXDJ-UHFFFAOYSA-N 394.482 4.922 0 40 GJAB CCc1ccccc1-n1c(N)c(C(=O)OCC(C)C)c2nc3ccccc3nc21 2253329 OIYUENYCLNQNNF-UHFFFAOYSA-N 388.471 4.531 0 40 GJAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3ccc(Br)cc3)c2C1 2465882 DINORXADHVLCIJ-NSHDSACASA-N 377.282 4.840 0 40 GJAB O=C(CSc1cccc2cccc(Cl)c12)Nc1nnc(C2CC2)s1 2661048 ZXHILIJQGJCXNW-UHFFFAOYSA-N 375.906 4.953 0 40 GJAB Cc1ccc(C)c(NC(=O)OCCNC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 3087648 CNAINYWIMFQXLD-CJNGLKHVSA-N 399.318 4.559 0 40 GJAB Clc1ccccc1OCCSc1nnc(NCc2ccccc2)s1 3314603 KQFWKNGUZPXMTD-UHFFFAOYSA-N 377.922 4.975 0 40 GJAB O[C@]1(c2ccc(Cl)cc2)CC(C(F)(F)F)=NN1c1nc2ccccc2s1 4322765 MORYWVOBJVXRSB-INIZCTEOSA-N 397.809 4.923 0 40 GJAB CCCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 4555246 KLDLVRXREWFNLD-AREMUKBSSA-N 399.490 4.647 0 40 GJAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 4700395 QNSIBACCNJNWBZ-IBGZPJMESA-N 388.467 4.619 0 40 GJAB Cc1cccc(N2CCN(C(=O)[C@@H](C)Sc3ccc(Cl)cc3)CC2)c1C 5392513 QQSLEAVHUILXPA-QGZVFWFLSA-N 388.964 4.786 0 40 GJAB Cc1cc(SCC(=O)Nc2ccccc2C)n2ncc(-c3ccccc3)c2n1 5561150 ZJBIEDMFLMPTJG-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB O=C(CSc1nc2ccccc2cc1Cc1ccccc1)NCc1ccco1 5936788 JKINRVCJZAODKV-UHFFFAOYSA-N 388.492 4.827 0 40 GJAB Cc1cc(/C=C/C(=O)N(C)Cc2ccc(Br)s2)c(C)n1C1CC1 7273950 JLKVTXZENQXHLF-RUDMXATFSA-N 393.350 4.936 0 40 GJAB Cc1cc(N2CCCC2)ccc1/C=C(/Sc1nc2ccccc2[nH]1)C(=O)O 7342976 DYDCJFVGOGKBNX-CPNJWEJPSA-N 379.485 4.689 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 7407365 WPPZWWXRFBDHAH-UHFFFAOYSA-N 390.487 4.713 0 40 GJAB CSc1nc(C)c(CCC(=O)Nc2ccccc2Cc2ccccc2)c(C)n1 8061116 HLJRSQLBIYMNOO-UHFFFAOYSA-N 391.540 4.977 0 40 GJAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1nc2ccccc2s1 8402611 ANCMJRNHICKUED-LJQANCHMSA-N 378.497 4.528 0 40 GJAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(Br)o1 9190320 NWPPTSGGMVSVSF-UHFFFAOYSA-N 398.216 4.806 0 40 GJAB O=C(NCCSCc1ccccc1Cl)c1ccc(CN2CCCC2)cc1 10339007 PMMDKJVKBFYJRK-UHFFFAOYSA-N 388.964 4.599 0 40 GJAB COc1ccc2c(C)c(CCC(=O)Nc3cccc(Cl)c3C)c(=O)oc2c1 12460542 OKGHIVISGSTHSK-UHFFFAOYSA-N 385.847 4.643 0 40 GJAB O=C(NC[C@H](c1ccccc1)N1CCCC1)C(c1ccccc1)c1ccccc1 12785226 XQIDXXCNFFCCEN-XMMPIXPASA-N 384.523 4.772 0 40 GJAB Cc1c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)oc2ccc(Cl)cc12 12986644 RAPAALIZPDCBPB-UHFFFAOYSA-N 396.874 4.886 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccccc2)cc1 14609670 YLTRACJLBXPGNF-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3ccc(F)c(Cl)c3)ccc21 16120404 SJKXMGCAXSLDFS-NSHDSACASA-N 377.868 4.752 0 40 GJAB Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 17144195 SRFDAWJCAMRPEL-KHYOSLBOSA-N 398.576 4.996 0 40 GJAB COc1cccc(CNCc2cn(Cc3ccccc3)nc2-c2cccs2)c1 17311916 SEWKNFJXBWPNQA-UHFFFAOYSA-N 389.524 4.958 0 40 GJAB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 20176352 VTZUZVDWOHXURG-UHFFFAOYSA-N 390.418 4.519 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1Cl 20453949 IKVHNWNSJPWSPT-KRWDZBQOSA-N 396.270 4.966 0 40 GJAB CCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 22236688 XCNBMJSMILRWDJ-CYBMUJFWSA-N 388.389 4.531 0 40 GJAB O=C(NC1CCN(Cc2ccccc2)CC1)C1(c2cccc(Cl)c2)CCC1 24590708 IRHMCCBUQJYALA-UHFFFAOYSA-N 382.935 4.543 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc(C)c1-c1ccc(Cl)cc1 28284542 SEHBNPKCRIWWIG-AWEZNQCLSA-N 393.892 4.671 0 40 GJAB CCOc1c(Cl)cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1Cl 32594032 SJXYQDLJTAHJQG-INIZCTEOSA-N 397.302 4.552 0 40 GJAB COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 33424812 UVFHUIYCRWCFMV-GDNBJRDFSA-N 388.832 4.616 0 40 GJAB Cc1ccc(NCc2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2)cc1 33622096 KYDAPDYCERFJAZ-UHFFFAOYSA-N 377.415 4.786 0 40 GJAB O=C(NC1CC1)c1cc(NC(=O)N2CCC[C@@H]2C2CCCCC2)ccc1Cl 40151778 RWONSUKVRURIFE-LJQANCHMSA-N 389.927 4.809 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@H](CC(C)C)c2ccccc2)c(OC)c1OC 44843068 YADVMNAPQWLINJ-XYDKVEKUSA-N 383.488 4.629 0 40 GJAB COc1cc(OC)c2[nH]c(C(=O)OCc3cc4ccccc4nc3Cl)cc2c1 45860514 DVRSXCPMLQSAHD-UHFFFAOYSA-N 396.830 4.744 0 40 GJAB Clc1ccc(-c2nnc(COc3nnc(-c4ccccc4)o3)o2)c(Cl)c1 63537000 FPUZVLDRYZFXPL-UHFFFAOYSA-N 389.198 4.672 0 40 GJAB O=C(NCc1ccc(-n2ccnc2)cc1)C1(c2cccc(Cl)c2)CCCC1 65554705 XYSZTPHYLVFCPX-UHFFFAOYSA-N 379.891 4.654 0 40 GJAB O=C(c1ccco1)N(C[C@@H]1CCCO1)c1nc2c(C(F)(F)F)cccc2s1 77099408 QOFAUXYHCDLMKW-NSHDSACASA-N 396.390 4.734 0 40 GJAB CCN(C(=O)[C@H](C)[S@@](=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 78556047 YLYSVNUUJOKYJF-RKNYENMMSA-N 384.328 4.684 0 40 GJAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](c1ccc(O)cc1)SCC(O)=N2 95476989 UKEKMPMDWKDHFN-SFHVURJKSA-N 387.505 4.592 0 40 GJAB CN(Cc1cc(Cl)nc(Cl)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95954912 KTTXLQBMHDBRTG-BBRMVZONSA-N 392.113 4.785 0 40 GJAB CCc1nc([C@H](C)NC(=O)Nc2c(F)cc(F)cc2Br)cs1 97117668 LXCZCRLXRCSIMR-ZETCQYMHSA-N 390.253 4.629 0 40 GJAB CCC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118925172 PXAQXJHLKRPDJD-PFIGMVKHSA-N 388.548 4.735 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccccc1Cl 219057810 IEXQDAUBFMBURX-MRXNPFEDSA-N 375.896 4.645 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219369149 NBFMMDOUQYIUQG-VQTJNVASSA-N 397.515 4.888 0 40 GJAB O=C(CCc1ccc(F)cc1)NCc1ccc(OCc2ccc(F)cc2)cc1 223328539 NKSOOLLXZVSEDY-UHFFFAOYSA-N 381.422 4.793 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCCC1 224929893 AKNYMLHLPZQNNV-CQSZACIVSA-N 399.362 4.960 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCc2ccccc2Cl)c1 225541334 KXEHHIRYRQJNOC-UHFFFAOYSA-N 390.936 4.744 0 40 GJAB COC(=O)c1ccc2[nH]c(-c3cccc4c(Br)cccc34)nc2c1 226236776 FTYCDNFRHJISMV-UHFFFAOYSA-N 381.229 4.932 0 40 GJAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3[C@H](C)c3ccncc3)cc2n1 257302339 SCNVTXUZJBSCEH-CXAGYDPISA-N 389.425 4.604 0 40 GJAB Fc1cccc(-c2ccc3nc([C@@H]4CCCN(Cc5ccco5)C4)nn3c2)c1 306135689 OXXDVTNPSCWADQ-GOSISDBHSA-N 376.435 4.508 0 40 GJAB CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)c(OCC)c1 408554310 DDBPCXIMUJRIOU-IBGZPJMESA-N 377.893 4.916 0 40 GJAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 408577289 XYJHCWUDHUHXMY-UHFFFAOYSA-N 396.556 4.801 0 40 GJAB O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccccc1F 409367547 FCOLKVGKNDIEQC-UHFFFAOYSA-N 378.428 4.712 0 40 GJAB O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1)c1ccccc1 797224 QTDBUUAVZZPJCQ-UHFFFAOYSA-N 395.256 4.954 0 40 GJAB Cc1cccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1C 954899 HZXNCQPYBKIWPX-VQHVLOKHSA-N 378.255 4.805 0 40 GJAB O=C(c1ccccc1)c1coc2cc(Br)c(O)c(Br)c12 977853 UGGOYSDCOUCXQN-UHFFFAOYSA-N 396.034 4.894 0 40 GJAB Cc1c(CNC(=O)c2cccs2)c(-n2cccc2)n(Cc2ccccc2)c1C 1398797 YTEWGPBKHXRCQC-UHFFFAOYSA-N 389.524 4.935 0 40 GJAB COC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCCCCC2 2081735 CUEIUFPWGUOUMW-JLHYYAGUSA-N 387.476 4.985 0 40 GJAB COC(=O)c1ccc(N[C@@H](c2ccc(Cl)cc2)P(=O)(OC)OC)cc1 2293795 OAOLBXLLKDIQHR-MRXNPFEDSA-N 383.768 4.723 0 40 GJAB COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H]4CCCCC4=O)ccc23)cc1 2438484 SCSSZYHBDINXAY-NRFANRHFSA-N 378.424 4.668 0 40 GJAB biogenic COc1ccc(CNc2ncnc3sc(-c4ccccc4)cc23)cc1OC 3346349 GOOVKSSMFDAPQT-UHFFFAOYSA-N 377.469 4.988 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)s2)c(C)c1 3379000 DCACHCSSWIGVIJ-ZFWWWQNUSA-N 390.578 4.686 0 40 GJAB CCOc1ccc(NC(=O)CSc2ncnc3c2oc2ccccc23)cc1 4106791 PLVJDULHPYAXBG-UHFFFAOYSA-N 379.441 4.506 0 40 GJAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@](C)([C@H](C)NC(C)=O)C=C3CC[C@@H]12 5160266 VHIFCGQMUHNGPP-LCYINGJFSA-N 375.553 4.633 0 40 GJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)c(OC)c1 5253055 FAACTDGNFHHGQS-NHTMILBNSA-N 399.506 4.711 0 40 GJAB COc1cc(C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@H](O)[C@@H]2C(C)C)ccc1O 5382322 OLJDCWYDXLXFJK-COKJDNMNSA-N 388.504 4.636 0 40 GJAB CCc1ccc(-c2csc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 6124683 VYIWQLNVMTVHEE-UHFFFAOYSA-N 398.484 4.651 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3CC3)n2C2CCCC2)cc1 6515754 BQMKUOXXUTWKKX-UHFFFAOYSA-N 398.576 4.728 0 40 GJAB COc1cccc(OC)c1OCCCCCN1CCCC[C@H]1c1cccnc1 6624371 BLBPHQYKPLLCEP-FQEVSTJZSA-N 384.520 4.875 0 40 GJAB biogenic O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cc(F)cc(F)c1 7032047 IRGFANDNNLHHRE-IBGZPJMESA-N 385.341 4.641 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1C 7882408 VKLGQOUFRNZXSS-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 7928908 YZEQWWHXQPTSHM-HNNXBMFYSA-N 385.891 4.986 0 40 GJAB CCOc1cc(CNCCCNC)ccc1OCc1ccc(Cl)cc1Cl 8254576 UKDNKYPQRCFRAY-UHFFFAOYSA-N 397.346 4.670 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 9063621 DCWCBEXYYJADDC-UHFFFAOYSA-N 380.385 4.695 0 40 GJAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)N[C@@H]1CCCc2ccccc21 10140045 YTQYBXRXPFQDKU-XMMPIXPASA-N 387.527 4.541 0 40 GJAB COc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)ccc1OCC(C)C 11769373 YQAIZQWOEMCKAN-UHFFFAOYSA-N 382.504 4.891 0 40 GJAB O=C(O)COc1ccccc1CN1C[C@@H](c2ccccc2)C2(CCCCC2)C1 12228121 IODYZYBUZKAAOU-NRFANRHFSA-N 379.500 4.700 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)/C=C/c1cccc(Cl)c1 12600868 PNSAFPSIAFPWSP-NYABTTBZSA-N 378.896 4.900 0 40 GJAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1ccc(F)cc1Cl 12930180 IFCBYYKIYVCDJD-UHFFFAOYSA-N 385.241 4.875 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709435 NDMSZYSGKYDEDX-QGZVFWFLSA-N 390.483 4.728 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 15950115 ZPPXLVFLBMVVAN-UHFFFAOYSA-N 395.355 4.743 0 40 GJAB CCOc1c(Cl)cc(C(=O)Nc2cccc(Br)c2)cc1OC 16028087 LLOWFDQKTXLKCK-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 20112046 CAFHYVKPPMCFRO-GOSISDBHSA-N 383.488 4.975 0 40 GJAB Cc1ccc(CSCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20454983 CJWCYDCFISIUDC-HXUWFJFHSA-N 396.600 4.890 0 40 GJAB CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20492116 DBWYYRGEHNUUHU-HXUWFJFHSA-N 394.559 4.680 0 40 GJAB CCCOc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)c1 21595665 DEFSGYZUWPBBDC-UHFFFAOYSA-N 378.428 4.881 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2cc(SC)ccc2Cl)C2CC2)c1 26028838 KNTZHVWSQLKEOG-UHFFFAOYSA-N 391.920 4.884 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Nc1cnn(Cc2ccccc2Cl)c1 27920781 KGPKYCSPKGSLTI-UHFFFAOYSA-N 391.258 4.891 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)CN(C)C(=O)c3ccccc3)ccc21 28490546 LKDDSDOASADJPH-UHFFFAOYSA-N 385.467 4.525 0 40 GJAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2)n1 32578624 ANMINCZIHQIEBF-UHFFFAOYSA-N 389.814 4.670 0 40 GJAB CCOc1ccc(/C=C2\SC(=O)N(CNc3ccccc3)C2=O)c(OCC)c1 33726095 XVVLKUUBBYZRMJ-UNOMPAQXSA-N 398.484 4.590 0 40 GJAB COc1ccc(Cc2nc3ccccc3n2CCOc2ccccc2OC)cc1 35167725 BBGXBVIOBGQYEX-UHFFFAOYSA-N 388.467 4.723 0 40 GJAB CCOC(=O)c1cccc(Nc2c(-c3ccccc3O)nc3cc(C)ccn23)c1 35616501 SSCLRUKKTSBREC-UHFFFAOYSA-N 387.439 4.936 0 40 GJAB O=S(=O)(c1ccccc1)N(Cc1cccc(Cl)c1)c1ccc(F)cc1 36246378 BJGCFRHAYJNFFE-UHFFFAOYSA-N 375.852 4.875 0 40 GJAB C[C@H]1C[C@H](OC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C(=O)O1 40012292 BJHLYRQLSPNXTM-ZBEGNZNMSA-N 393.411 4.606 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)NCCCCN1C[C@H](C)C[C@@H](C)C1 40108515 MKTAJQIFVZPQMQ-HUUCEWRRSA-N 391.606 4.668 0 40 GJAB CC(C)c1noc(CCCC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)n1 40132985 DXDKHHJNSNRYGE-NRFANRHFSA-N 381.451 4.561 0 40 GJAB CC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 40138963 UYHBYDUQOYPDOS-QFIPXVFZSA-N 398.466 4.871 0 40 GJAB Cc1c(Cl)cccc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)C(C)C 41077044 LUKZYYGGPDLJAE-UHFFFAOYSA-N 383.879 4.932 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2cc(F)ccc2[nH]1 41108665 LJNYVMFFWYZYTK-UHFFFAOYSA-N 390.867 4.501 0 40 GJAB COc1ccc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC(F)F 47958543 ZZLQQBKHYCPIES-LBPRGKRZSA-N 379.428 4.828 0 40 GJAB Cc1cc(C(=O)COC(=O)c2cc(C3CC3)nc3onc(C)c23)c(C)c(C)c1C 48249826 LUXHAFYVXKCKDX-UHFFFAOYSA-N 392.455 4.682 0 40 GJAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(NC(C)=O)cc1 59099158 QXQGNVGOBCWUEI-UHFFFAOYSA-N 386.908 4.869 0 40 GJAB COc1ccc(N(C)C(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)cn1 69738331 JDZZIMSXMHLKLC-UHFFFAOYSA-N 378.394 4.584 0 40 GJAB CCOC(=O)c1sc(NC(=O)c2c(C)noc2C(C)C)nc1-c1ccccc1 72240605 JUUYXZBGRAPMLV-UHFFFAOYSA-N 399.472 4.659 0 40 GJAB O=C(OCc1csc(-c2ccc(Cl)cc2)n1)C1C[C@@H]2CCC[C@@H](C1)C2=O 103137888 LOKFPBAPDUSTMU-KBPBESRZSA-N 389.904 4.902 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103245614 YRWRIRXTNBTXFS-SAXRGWBVSA-N 376.859 4.997 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219359403 VGVZVQMYPWLSML-WOJBJXKFSA-N 383.488 4.580 0 40 GJAB Cc1cc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)ncc1Cl 223981955 PCXOJPIEIQFLNM-UHFFFAOYSA-N 377.916 4.981 0 40 GJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(Cl)cc1Cl 225506448 WUKQGPXNAWNLEN-ZDUSSCGKSA-N 378.299 4.956 0 40 GJAB Fc1ccc(OCCN2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 257306664 SVGVDFKNMLQWQP-UHFFFAOYSA-N 392.478 4.618 0 40 GJAB Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](c1ccsc1)c1cccs1 390826262 GQZNLDPBYQTVQS-INIZCTEOSA-N 383.947 4.839 0 40 GJAB Cc1cccnc1Nc1nc(C2CCN(C(=O)/C=C/c3ccco3)CC2)cs1 585291699 FEHXNLYKLDBWHK-VOTSOKGWSA-N 394.500 4.603 0 40 GJAB Cc1ccc(F)cc1S(=O)(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 1185078556 RVAJPIOQCUBVBK-OAQYLSRUSA-N 387.451 4.683 0 40 GJAB Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1 892471 CDUVWTGHBPVQFP-UHFFFAOYSA-N 382.467 4.868 0 40 GJAB Cc1nc(SCC(=O)Nc2ccccc2C)c2c3c(sc2n1)CCCC3 1244087 IREZASRRBZBJIP-UHFFFAOYSA-N 383.542 4.918 0 40 GJAB CC1(C)C[C@@]2(CCCN(CC(O)(c3ccccc3)c3ccccc3)C2)CCO1 1261673 ULQRQRGTCDZWGL-XMMPIXPASA-N 379.544 4.594 0 40 GJAB Cc1cccc2cc(CN(C(=O)c3cccc(F)c3)C3CCCC3)c(=O)[nH]c12 1346715 WTRCJSMFUSWGKL-UHFFFAOYSA-N 378.447 4.561 0 40 GJAB CC(C)c1ccc(-c2cs/c(=N\c3ccccc3)n2N2CCOCC2)cc1 1440112 DGDUZCORWGGWCE-FCQUAONHSA-N 379.529 4.541 0 40 GJAB CCOC(=O)C1=C(c2ccccc2)S[C@H](c2ccccc2)N(C(C)C)C1=O 2041589 FGQVVJOAWZVMSP-OAQYLSRUSA-N 381.497 4.643 0 40 GJAB CCCCCOc1ccccc1/C=C/[C@@]12NC(=O)CN1c1ccccc1C2(C)C 2111790 QLKRITATAFOFFV-KVACCUTFSA-N 390.527 4.893 0 40 GJAB biogenic O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccs1 2302303 SSYNTIAVOLYNKM-UHFFFAOYSA-N 379.466 4.683 0 40 GJAB Cc1ccccc1CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1 2361330 GEQZUGVEWZCNAX-UHFFFAOYSA-N 391.537 4.908 0 40 GJAB Cc1cccc(-c2nsc(SCC(=O)Nc3cccc(Cl)c3)n2)c1 2917519 BZTDNOVPPDABEC-UHFFFAOYSA-N 375.906 4.898 0 40 GJAB COc1ccc(/C=C/C(=O)OCc2csc(-c3ccccc3)n2)cc1OC 3221468 VXLCOTBEMMUURS-PKNBQFBNSA-N 381.453 4.584 0 40 GJAB Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Br 3991759 MRSSMCVCBJTKER-UHFFFAOYSA-N 395.105 4.865 0 40 GJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 4794571 WONWUFOWUOJSAJ-QGZVFWFLSA-N 382.504 4.649 0 40 GJAB CC[C@@H](C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1ccccc1 5240099 CLXDGQQINUBAFQ-OAQYLSRUSA-N 397.478 4.826 0 40 GJAB CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C(C)C)cc1 5735317 FWONXBXDDJZNKB-GOSISDBHSA-N 389.521 4.513 0 40 GJAB O=C(/C=C1/N=C(c2ccccc2)C=C(c2ccccc2)N1)OCc1ccccc1 6104699 IHWPHYKTTZHFDS-JJIBRWJFSA-N 380.447 4.705 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 6112809 HXWGNMLBXLKSIR-UHFFFAOYSA-N 389.933 4.873 0 40 GJAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@H](C)CC)cc3)CC2=O)cc1 6880987 GTGIBXDPUZLLBR-MJGOQNOKSA-N 394.515 4.981 0 40 GJAB O=C1c2ccccc2N[C@H](c2cccc(Br)c2)N1Cc1ccco1 7112535 JZKXAOLIHKNHFP-SFHVURJKSA-N 383.245 4.809 0 40 GJAB Cc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1 7516084 STAAMWFLACCLPX-HXUWFJFHSA-N 377.513 4.982 0 40 GJAB COc1ccc(Br)c(C(=O)Nc2ccc(-c3nccs3)cc2)c1 7986498 AEFQYIYUFSHPII-UHFFFAOYSA-N 389.274 4.834 0 40 GJAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)s1 7986851 QSHVGSGNJSMUCP-INIZCTEOSA-N 381.888 4.992 0 40 GJAB C[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 9135096 MYCAZMDYGQEONG-YSVLISHTSA-N 392.425 4.558 0 40 GJAB O=c1[nH]c(CN2CCc3ccccc32)nc2scc(-c3ccccc3Cl)c12 9885019 PARDAIDOAQVGJQ-UHFFFAOYSA-N 393.899 4.868 0 40 GJAB CCc1ccc(C(=O)c2c(N)c(-c3nc4ccccc4[nH]3)c3ccccn23)cc1 12374433 YWZGTCZLNCSZQY-UHFFFAOYSA-N 380.451 4.858 0 40 GJAB CC1(C)C[C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1 13669925 IZQNIAQCABSJTP-AWEZNQCLSA-N 386.300 4.574 0 40 GJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C)nc2N1 14163432 URKKLJYSBMABJI-MRXNPFEDSA-N 395.290 4.526 0 40 GJAB Cc1csc(SCc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)n1 16640220 NTWXLCXXQIIYRW-UHFFFAOYSA-N 386.517 4.855 0 40 GJAB CCN(C(=O)[C@H]1CC=CCC1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 19712035 DJMKNQWDMXCRPK-ACIOBRDBSA-N 391.515 4.569 0 40 GJAB Cc1ccc(-n2cc3c(n2)CCN(c2ncc(C(F)(F)F)cc2Cl)C3)cc1 20218520 PEHWNDMUKOELFB-UHFFFAOYSA-N 392.812 4.811 0 40 GJAB COc1cc(C2SCCS2)ccc1OC(=O)[C@H]1Cc2ccccc2S1 21446998 AHSIROUKNJMCIM-QGZVFWFLSA-N 390.551 4.796 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Cl)c2ncccc12 24828836 LHRAEKRWRPENLJ-UHFFFAOYSA-N 380.860 4.967 0 40 GJAB CN(C)[C@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccsc1 25330697 GCOAGUHLHJVBNG-QGZVFWFLSA-N 392.615 4.650 0 40 GJAB Cc1cc(NC(=O)[C@H](C)Oc2ccccc2Br)c2ccccc2n1 27974914 SRKQUMXSTSCALS-ZDUSSCGKSA-N 385.261 4.712 0 40 GJAB O=C(C[C@H]1C=CCC1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 30181351 KWFHNHINWLVEIN-KRWDZBQOSA-N 384.520 4.555 0 40 GJAB O=C(Nc1cccc(F)c1)c1ccccc1OCc1nc(-c2ccccc2)no1 32578527 IWXFBFVKOQCARC-UHFFFAOYSA-N 389.386 4.707 0 40 GJAB Cc1nc2c(-c3cccs3)nc(=O)n(Cc3c(F)cccc3Cl)c2s1 32616311 WQZPERYKWNXMGB-UHFFFAOYSA-N 391.880 4.731 0 40 GJAB COc1ccc(CCC(=O)NCc2cccc(COCc3ccccc3)c2)cc1 32925129 HFQOOMMEZIHSHW-UHFFFAOYSA-N 389.495 4.661 0 40 GJAB Cc1ccc(C)c(OCC(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 32962546 IOZRVUQSQDUCCR-UHFFFAOYSA-N 378.399 4.658 0 40 GJAB CN1CCC[C@H]([N+]2=N[C@H](Cc3ccc(Cl)cc3)c3ccccc3C2=O)CC1 35024247 NOQDKYGQBYLUST-GHTZIAJQSA-N 382.915 4.727 0 40 GJAB CC(=O)c1cccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)c1 35288577 WCOZCRYTFNNJML-NOTZXAQLSA-N 391.515 4.596 0 40 GJAB C[C@H](N[C@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1cc(F)ccc1F 57452029 GZIVWNPYFBUNDP-HXPMCKFVSA-N 390.430 4.872 0 40 GJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NC[C@H]1CC=CCC1 69240119 STKZSCPWSGKGPY-MOPGFXCFSA-N 391.515 4.998 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(CC)cc2)cc1Cl 72329315 BVGSMUPNZANRFT-UHFFFAOYSA-N 383.879 4.621 0 40 GJAB COc1ccccc1NC1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 79059070 LDKTXCPKKONZDT-UHFFFAOYSA-N 381.451 4.566 0 40 GJAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccc(-c2ccccc2)cn1 84562669 YSKKYZWWLPNALQ-UHFFFAOYSA-N 394.858 4.745 0 40 GJAB CC(C)c1sc(Cl)nc1C(=O)NCCCCCc1nc2ccccc2[nH]1 96118684 JIENGGJWCBZLPS-UHFFFAOYSA-N 390.940 4.939 0 40 GJAB COC1(CNC(=O)CCc2ccc(C(F)(F)F)cc2)C2CC3CC(C2)CC1C3 96123878 BMTIEQWRCLQETN-UHFFFAOYSA-N 395.465 4.596 0 40 GJAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)n1 100148391 CTRBTGYPYPJVOQ-ZCNNSNEGSA-N 390.531 4.593 0 40 GJAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccco1 102362709 QXRGOEYOJSGCPT-UGUYLWEFSA-N 396.516 4.838 0 40 GJAB COc1ccc(Cl)cc1NC(=O)NC[C@](C)(O)c1cc2ccccc2s1 217523562 VSYXYLBAGKDSMZ-IBGZPJMESA-N 390.892 4.593 0 40 GJAB COc1ccc(CNC(=S)Nc2ccc(Nc3ccccc3C)nc2)cc1 223927827 UJWWYRSQMAIITQ-UHFFFAOYSA-N 378.501 4.629 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 224130314 UOTMFYVZUOJFJB-GOSISDBHSA-N 383.532 4.899 0 40 GJAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OC 225673266 WEXVJPNAKLBCIL-MRXNPFEDSA-N 386.517 4.601 0 40 GJAB Cc1ccccc1-c1noc(CCC(=O)Nc2c(Cl)cccc2Cl)n1 225815781 YEAOHLCKKIAIOU-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CCC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(F)ccc2F)C1 257202853 ANRUDRNNBBBIRS-QKNQBKEWSA-N 377.406 4.982 0 40 GJAB CSc1ncc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cn1 408529457 HHQTZHYPUODWQI-UHFFFAOYSA-N 378.482 4.728 0 40 GJAB COC(=O)c1c(NC(=O)CSCc2ccccc2C)sc2c1CCCC2 409120641 UZLTYMGCXPHVSA-UHFFFAOYSA-N 389.542 4.594 0 40 GJAB C[C@H]1CCc2ccccc2N1Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1 521396796 ACRNYTOLTJIOMM-IBGZPJMESA-N 398.572 4.593 0 40 GJAB Clc1ccc(-c2noc([C@@H]3CCCN(Cc4ncccc4Cl)C3)n2)cc1 528413841 KJFAJIDMZXHMJR-CQSZACIVSA-N 389.286 4.818 0 40 GJAB Cc1ccc2c(c1)OC1(CCN(C3CCN(C(C)C)CC3)CC1)[C@@H]1CCCO[C@@H]21 1615156300 UKMQDOUQLINWNN-VWNXMTODSA-N 398.591 4.563 0 40 GJAB Cc1cc(S(=O)(=O)Oc2ccc(C(C)C)cc2)c(C)cc1Br 1653314753 BLXZXEUICNLICY-UHFFFAOYSA-N 383.307 4.957 0 40 GJAB CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 885957 OECHSBJHBLNCRP-UHFFFAOYSA-N 392.846 4.725 0 40 GJAB Cc1ccccc1NC(=O)CSc1nnc2c(C)cc3ccc(C)c(C)c3n12 903153 ZHZNQZVIUZDXRW-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(C)c1 936136 JKEJCTHPPHHZPJ-UHFFFAOYSA-N 391.496 4.727 0 40 GJAB N=C(NC(=O)c1ccnc(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2243818 KVRSNYYCFXLEPR-UHFFFAOYSA-N 395.690 4.528 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)O)cc1 2273549 GQKWOVRPDLDPNW-BWWMBTDCSA-N 383.447 4.542 0 40 GJAB Cc1cc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)n(-c2ccccc2)n1 2465900 ARHUUGNIHSKENJ-HNNXBMFYSA-N 378.476 4.572 0 40 GJAB CC(C)c1ccc(Nc2nnc(SCC(=O)NCc3ccccc3)s2)cc1 3274702 VZHORBWQZIFMHW-UHFFFAOYSA-N 398.557 4.814 0 40 GJAB CCCCNC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3300712 UVNPKKFELMJLHQ-UHFFFAOYSA-N 391.920 4.705 0 40 GJAB Cc1cc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c(C)c1 3360478 MAPXMJIYIOACTA-UHFFFAOYSA-N 394.540 4.953 0 40 GJAB Cc1sc2nc(-c3cccnc3)nc(SCCO)c2c1-c1ccccc1 3430355 YJRULPNSLWHMDS-UHFFFAOYSA-N 379.510 4.813 0 40 GJAB Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1 4036410 VWEUBEQIWISBRI-UHFFFAOYSA-N 399.472 4.607 0 40 GJAB COc1ccccc1C(=O)NC(=S)Nc1ccc(Nc2ccccc2)cc1 4621457 CCYAASXJEDWBQM-UHFFFAOYSA-N 377.469 4.566 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 4703068 ZGHZBAPQHMRSLN-JTQLQIEISA-N 383.662 4.638 0 40 GJAB CC(C)N1C(=O)S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O 4704801 PMGRYRIPEBUYKR-NTEUORMPSA-N 385.470 4.752 0 40 GJAB COc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@@H](c2ccco2)C1 4994215 JRVIJLFPOKIHIE-GOSISDBHSA-N 380.831 4.933 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 5703890 WMWDMQSQQWYDQS-CQSZACIVSA-N 385.847 4.632 0 40 GJAB COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3[C@@H]2OC)cc1OC 5839419 MVHXQJNXLZHNFP-FQEVSTJZSA-N 376.836 4.529 0 40 GJAB C[C@@H](Sc1nnc(NC(=O)[C@]2(C)CC2(Cl)Cl)s1)c1ccccc1 6668101 NJTHDZUCENJQGB-OTYXRUKQSA-N 388.345 4.914 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccccc1C)c1ccccc1 6887219 FDDDUPLBHZVVAX-JOCHJYFZSA-N 389.451 4.849 0 40 GJAB N#CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21 7098432 ORCMYOBTHGMLBC-UVTDQMKNSA-N 394.356 4.729 0 40 GJAB Cc1cccc(-c2noc(CNC(=O)c3ccccc3CCc3ccccc3)n2)c1 7780752 CIAYXTKFVLMNNB-UHFFFAOYSA-N 397.478 4.760 0 40 GJAB COc1ccc(CCNC(=S)N(Cc2ccccc2)c2ccccc2)cc1 7985437 NDSDMLYTUANJQS-UHFFFAOYSA-N 376.525 4.819 0 40 GJAB CC(C)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccs1 8013289 NDTVGXGRBRLBLE-VQIMIIECSA-N 385.533 4.506 0 40 GJAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(OC)c1 8107597 KWTBOJCNOKBECX-RQZCQDPDSA-N 389.860 4.594 0 40 GJAB C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 8225919 XLDPFGNXNLTBKJ-KRWDZBQOSA-N 393.556 4.523 0 40 GJAB O=C(COc1ccc(Br)cc1F)Nc1cc(Cl)ccc1Cl 8429759 GKVKJJGJXAANHF-UHFFFAOYSA-N 393.039 4.913 0 40 GJAB CCn1nccc1NC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C 9579355 PDBURLSXQHYASO-HNNXBMFYSA-N 388.821 4.650 0 40 GJAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)c2cc(C)cc(C)c2)n1 11057701 XLHRTSURUFBSIH-UHFFFAOYSA-N 383.448 4.777 0 40 GJAB CN(Cc1nc2ccccc2n1Cc1ccccc1Cl)C(=O)c1ccco1 11667115 YVYZALRETWATAH-UHFFFAOYSA-N 379.847 4.603 0 40 GJAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccccc1N1CCCC1=O 11871914 RUEJKBYBZXLBSP-UHFFFAOYSA-N 395.311 4.851 0 40 GJAB Cc1cc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)no1 12739005 MCOOGYRKEFRPMU-INIZCTEOSA-N 379.847 4.680 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 12908232 WILZJLMDICJMAN-NXTQRVMMSA-N 382.548 4.861 0 40 GJAB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1 12917376 KDULIBXENJJLPZ-UHFFFAOYSA-N 379.481 4.593 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 15640399 UKYYBYOUQYGTES-MRXNPFEDSA-N 394.689 4.900 0 40 GJAB COc1ccc(-c2c[n+](-c3ccc(OC)cc3)c3n2-c2ccccc2CC3)cc1 15973741 MBHQKSQKJQNXFY-UHFFFAOYSA-N 383.471 4.537 0 40 GJAB CC(=O)O[C@H]1Oc2ccc(C)cc2-c2oc(=O)c(Sc3ccccc3)cc21 16348136 DOLPMXDCNQVZRV-NRFANRHFSA-N 380.421 4.721 0 40 GJAB CCCCOc1cccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)c1 17080633 MRIMGCZNOZNXNX-UHFFFAOYSA-N 394.496 4.851 0 40 GJAB O=C(c1ccc(N2CCCC2)cc1)N1CCc2sccc2[C@@H]1c1ccco1 19342258 RPFWSPFVGQZAPS-OAQYLSRUSA-N 378.497 4.729 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 20530974 BHVNAOSKIGSHPN-HXUWFJFHSA-N 376.843 4.676 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCC1CCN(Cc2ccco2)CC1 23128024 MYPOVOXFNNGMTI-UHFFFAOYSA-N 388.511 4.518 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)N[C@H](c3ccccc3)c3cccs3)c2C)no1 23184480 NJGALSVEZFGREO-OAQYLSRUSA-N 391.496 4.971 0 40 GJAB CCN1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 23229003 UVNBYEFMAMAJNQ-UHFFFAOYSA-N 385.511 4.748 0 40 GJAB COc1cccc(CCC(=O)N(Cc2ccccc2)c2ccccc2)c1OC 23260293 OWRXAYNPIUSUSS-UHFFFAOYSA-N 375.468 4.870 0 40 GJAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3ccc4c(c3)OCCCO4)c(C)c12 24860207 IBEWVHMGZFHQBG-UHFFFAOYSA-N 395.484 4.599 0 40 GJAB CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 25159098 QSCNPOYWPPOMGQ-RXVVDRJESA-N 397.494 4.583 0 40 GJAB CCCCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 27794368 UTSDSXANRHMFTO-HSZRJFAPSA-N 380.532 4.741 0 40 GJAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 32718938 DQJLQUILTULJFL-INIZCTEOSA-N 383.831 4.512 0 40 GJAB Nc1c(Cl)cc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1Cl 32841602 XRYZPFABOPVFBO-UHFFFAOYSA-N 378.284 4.880 0 40 GJAB C[C@H]1CCCC[C@@H]1n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40392404 CRWVUTIIXCUSJJ-GUYCJALGSA-N 393.878 4.511 0 40 GJAB Cc1cc2nc(N)sc2c(C)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 45890468 OKMJBYHBMPJAHN-UHFFFAOYSA-N 389.908 4.945 0 40 GJAB Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 46078514 JGBOAJFLSTUCOU-UHFFFAOYSA-N 398.506 4.826 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3c3nccs3)cn2)cc1C 58512425 VMTKJZUFNYWOTL-SFHVURJKSA-N 394.500 4.555 0 40 GJAB Cc1ccc2nc(C3CC3)cc(C(=O)Nc3cccc(C[S@@](C)=O)c3)c2c1 78974403 RGRVAOLUBALUKP-MHZLTWQESA-N 378.497 4.551 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](CSc2cccc(Br)n2)C1 83323379 BAXDOQQKPZKXCT-LBPRGKRZSA-N 387.343 4.583 0 40 GJAB COc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(Cl)nc2c1 89669208 RBVANDGHAFNVOB-NRFANRHFSA-N 393.874 4.903 0 40 GJAB COc1ccc([C@@H](C)C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1 95957260 OQBCTPLIHRXGFJ-OAHLLOKOSA-N 375.472 4.809 0 40 GJAB CC(C)(C)c1nc(CC(=O)/N=c2\[nH]c3ccccc3n2C2CCCC2)cs1 95960934 CZKSPZISBIVBMR-UHFFFAOYSA-N 382.533 4.509 0 40 GJAB CC[C@@H](C)Sc1ccc(NC(=O)N[C@@H]2CCCC3(C2)OCCO3)c(C)c1 96006819 ZDABIBOVMRZBKN-HZPDHXFCSA-N 378.538 4.693 0 40 GJAB Cc1ccc(Cl)cc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 208450861 HRTSXGUYOMEIRU-ODLFYWEKSA-N 392.867 4.679 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 224077404 OIPQVRCKNUUPDN-OSVNEOKWSA-N 388.467 4.545 0 40 GJAB O=C(Cc1ccccc1Cl)NCc1ccc(OCc2ccc(F)cc2)cc1 225438817 ALWPSSXWPFOTSS-UHFFFAOYSA-N 383.850 4.917 0 40 GJAB COc1ccc([C@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1 225463637 NSLDYQLTBQJATG-LBPRGKRZSA-N 379.323 4.814 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccccc2Cl)no1 225811063 GVLFQQOEONDQKT-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257245342 IPBARSSTUSOIJQ-HXUWFJFHSA-N 397.478 4.833 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3)n2)c1 408699880 ZWHLRUYKKWRDBD-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccc3-c3cn4c(n3)CCCC4)oc12 575619220 ISPYWGLXCVPCBW-UHFFFAOYSA-N 387.439 4.894 0 40 GJAB Cc1ccc(NC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cc1Cl 604893562 YADQNOJKYJBEBW-AWEZNQCLSA-N 395.837 4.650 0 40 GJAB Nc1c(C(=O)NCc2ccc(F)cc2)sc2nc(-c3ccc(F)cc3)ccc12 661622 WTZJQCAYLKBJGW-UHFFFAOYSA-N 395.434 4.754 0 40 GJAB Cc1cc(C)c(NC(=O)c2cc3cc(Br)ccc3oc2=O)c(C)c1 945202 ABEHYBQIOKJIQE-UHFFFAOYSA-N 386.245 4.733 0 40 GJAB Cc1nn(C)c(Sc2cccc(Cl)c2)c1C(=O)Nc1ccc(F)cc1 1401161 RCKMBINSZDVDNH-UHFFFAOYSA-N 375.856 4.925 0 40 GJAB CCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 1774619 AOPLIXSXHFRPKB-INIZCTEOSA-N 396.439 4.923 0 40 GJAB O=c1oc(-c2ccc(F)cc2)nc2c(Br)cc(Br)cc12 2217159 FKIWRZDFLSDPKD-UHFFFAOYSA-N 399.013 4.519 0 40 GJAB O=C(O)c1ccccc1C(=O)n1c(SCc2ccccc2)nc2ccccc21 2311132 LQODFICRIBDBJG-UHFFFAOYSA-N 388.448 4.715 0 40 GJAB Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccc(Br)cc12 2621010 SVWIWWXAHLHLFE-UHFFFAOYSA-N 388.217 4.527 0 40 GJAB COc1ccc(C(=O)[C@H](C)Sc2nnc(Nc3ccccc3F)s2)cc1 2629611 YPIJPTOQVLEFPC-NSHDSACASA-N 389.477 4.793 0 40 GJAB O=C(CSc1ccccc1)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1 2764269 UGUMHKLTWXWTKY-UHFFFAOYSA-N 392.311 4.969 0 40 GJAB Cc1csc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)n1 3237215 PFNXDGOVOFHOFG-UHFFFAOYSA-N 381.482 4.746 0 40 GJAB Cc1cc(C)cc(O[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)c1 3253458 GVTQQKKIBNHESD-WOJBJXKFSA-N 393.936 4.625 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 3287365 UMQQABSHEDTXHB-IYBDPMFKSA-N 385.891 4.739 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 3336588 GKMFFJMIIOLLLP-KRWDZBQOSA-N 379.287 4.695 0 40 GJAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)n1cc(C(F)(F)F)ccc1=O 3428813 ONYZDHSAICLAFY-CQSZACIVSA-N 386.373 4.734 0 40 GJAB O=C(CSC[C@@H](O)Cn1c2ccccc2c2ccccc21)Nc1ccccc1 3642105 XVHFXKRHIIPQBF-SFHVURJKSA-N 390.508 4.527 0 40 GJAB O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4087643 CBIKHMDSYHTWKY-UHFFFAOYSA-N 387.867 4.593 0 40 GJAB CCC(=O)N(Cc1ccccc1Cl)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4231048 RZGVBVFLEGGWEM-UHFFFAOYSA-N 382.891 4.737 0 40 GJAB CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)C(=S)N1C 4363950 LTYJVKALCBQSGY-HKWRFOASSA-N 388.492 4.843 0 40 GJAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)sc(C)c1C 4576686 PRDAMDZKOZLHOT-LLVKDONJSA-N 381.881 4.519 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c2ccccc12 4677619 YEJXHKVLDLBXJT-UHFFFAOYSA-N 389.476 4.901 0 40 GJAB COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)cc1 5256085 JOLGQZONIAFRHG-HXUWFJFHSA-N 381.863 4.787 0 40 GJAB CC(C)/N=C1\S/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)N1C(C)C 6324952 APDKFZFMKYUUOV-AUCMGLCLSA-N 375.513 4.515 0 40 GJAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1Cl 6942541 SMNSZHNWJKMMEC-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1C(C)C 7360544 LFUMQVUHOVFIDB-UHFFFAOYSA-N 398.322 4.690 0 40 GJAB O=C(CSc1nnc2n1CCCCC2)c1ccc2c(c1)-c1ccccc1C2 7777978 ALUPNQXOYVBPPY-UHFFFAOYSA-N 375.497 4.551 0 40 GJAB O=C(Nc1ccccc1I)c1cc2ccccc2s1 7980504 LJKWLAYYPSPJOO-UHFFFAOYSA-N 379.222 4.758 0 40 GJAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OC 8109984 NNQQAWKMGNNMQH-YBEGLDIGSA-N 389.860 4.594 0 40 GJAB COc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1Cl 8135301 PPTIITNMMMHQJG-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB c1ccc(-n2c(SC[C@@H]3CCCO3)nnc2-c2cc3ccccc3[nH]2)cc1 8191857 QQTBTCAFNCSHOF-KRWDZBQOSA-N 376.485 4.687 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1Cl 8218292 HAPRUABUTFDFBX-NSHDSACASA-N 397.689 4.947 0 40 GJAB CCN1C(=O)/C(=C\c2ccc(Br)o2)S/C1=N\c1ccc(C)cc1 8363022 HFDPAMDUEUCOFC-ASAAXKBXSA-N 391.290 4.974 0 40 GJAB COc1cc(CNCCCN(C)C)ccc1OCc1c(Cl)cccc1Cl 8373854 QBXVXQDPJDHDAI-UHFFFAOYSA-N 397.346 4.622 0 40 GJAB Cc1cccn2cc(CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)nc12 8424698 CLNWHLWCQGZBED-UHFFFAOYSA-N 397.813 4.650 0 40 GJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(C(=O)c2ccccc2)cc1 8726219 METVOFVFWHWAAI-UHFFFAOYSA-N 384.435 4.518 0 40 GJAB O=C(CSCc1c(Cl)cccc1Cl)NCCCN1CCCCCC1 10111115 JKUAEYYZPCYCDA-UHFFFAOYSA-N 389.392 4.609 0 40 GJAB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10215667 SKGUYWZGWINNMG-AUSIDOKSSA-N 390.439 4.929 0 40 GJAB C[C@H](NC(=O)COc1ccccc1Br)c1ccc2ccccc2c1 10238584 DVEDRXGCWFCDAP-AWEZNQCLSA-N 384.273 4.859 0 40 GJAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2[nH]c3ccc(C)cc3c2C)CC1 12344596 KJWOZADSWGAKJB-UHFFFAOYSA-N 393.506 4.551 0 40 GJAB C[C@@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1cccc(F)c1 12782702 MUKUOHUQMGVOSR-LBPRGKRZSA-N 383.448 4.577 0 40 GJAB Cc1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c(C)n1C1CCCCC1 13000882 RZDLPHKBVIEFCS-UHFFFAOYSA-N 393.531 4.889 0 40 GJAB O=C(OCc1csc(-c2ccccc2Cl)n1)C1C[C@@H]2CCC[C@H](C1)C2=O 13075973 MFQJAIDLSJIXEA-PBWFPOADSA-N 389.904 4.902 0 40 GJAB Cc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cc(C)cc(C)c3)cs2)cc1 15832548 YVJRKRLJJMUEDH-KRWDZBQOSA-N 380.513 4.819 0 40 GJAB CC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)c2cccc(F)c2)cc1 19018111 HQAMMYBWWAKFIB-OAQYLSRUSA-N 394.471 4.634 0 40 GJAB Cc1nc2cc(CCC(=O)N(Cc3ccccc3)Cc3ncccc3C)ccc2[nH]1 19237766 BZRMXNBGASSKEG-UHFFFAOYSA-N 398.510 4.736 0 40 GJAB O=C(NCCc1csc(-c2ccccn2)n1)C(c1ccccc1)c1ccccc1 19942279 PLVYASGRBCVBTR-UHFFFAOYSA-N 399.519 4.696 0 40 GJAB Cc1cc(-c2nc3cc(C)c(C)c(Br)c3o2)ccc1NC(N)=S 20156901 KIHCSPALVLRKLT-UHFFFAOYSA-N 390.306 4.838 0 40 GJAB COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1Cl 20609919 UBMYCKNZKZBCRN-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB O=C(CN1CCCc2ccccc21)N1CCc2sccc2[C@H]1c1cccs1 22056849 DVOLGRPXZYTDCC-QFIPXVFZSA-N 394.565 4.737 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 24523013 JEOBITAUWFRFEY-UHFFFAOYSA-N 398.422 4.614 0 40 GJAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(COc2ccc(F)cc2F)o1 27983719 NXIIRHXWWFOOOQ-LJQANCHMSA-N 383.394 4.944 0 40 GJAB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Br)o1)c1ccccn1 28286856 CGCXUYIYDYBGOL-UHFFFAOYSA-N 391.652 4.938 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1OCC 30853759 JDZCSUXKSHTMTQ-YLJYHZDGSA-N 385.504 4.827 0 40 GJAB CCCCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1OC 32115158 BHZCVDXLYYHDCM-UHFFFAOYSA-N 390.867 4.738 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 32674604 KEIMDBUDQIFACI-UHFFFAOYSA-N 379.504 4.639 0 40 GJAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc3c2CCCC3)cc1 35289378 RTRCVZQRLAPWSB-NRFANRHFSA-N 377.488 4.509 0 40 GJAB COc1cccc([C@@H]2CCCN2C(=O)COc2cc(C)nc3ccc(C)cc23)c1 35316781 IOMHNDKWPGYCMG-QFIPXVFZSA-N 390.483 4.603 0 40 GJAB COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 38834243 HUNRPFIDNWTROU-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB O=C(Nc1ccc2[nH]c(-c3cccs3)nc2c1)c1ccc(Cn2cccn2)cc1 40158525 QMBGCDKPKXUVGA-UHFFFAOYSA-N 399.479 4.789 0 40 GJAB COc1ccc2oc(C)c(C(=O)NCc3ccccc3CN3CCCCC3)c2c1 48279741 LEUZOSXIOGNRIB-UHFFFAOYSA-N 392.499 4.666 0 40 GJAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccccc1SC(F)F 48344636 WBOVXJTWVNRWSE-UHFFFAOYSA-N 399.846 4.997 0 40 GJAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cnn(-c2ccccc2F)c1 58641493 WBTDABAZLGSPOC-UHFFFAOYSA-N 382.395 4.526 0 40 GJAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccc2ccccc2c1 59200438 JLBNSJUANYYEAF-UHFFFAOYSA-N 391.452 4.533 0 40 GJAB FC(F)(F)c1nc2cc3c(cc2n1CCOc1ccccc1Cl)OCCO3 64814451 LLEJYMUQDXXHAV-UHFFFAOYSA-N 398.768 4.559 0 40 GJAB FC(F)(F)COc1ccc(CNc2ncnc3sc4c(c23)CCCC4)cn1 71953816 XWIRFEQZJBNGQG-UHFFFAOYSA-N 394.422 4.518 0 40 GJAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4scnc4C)C3)n2)c1 72349823 FTPXJULLPJXTLV-SFHVURJKSA-N 377.513 4.842 0 40 GJAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)c1ccc(Br)o1 72406487 MLMUJORUTZYWIG-UHFFFAOYSA-N 398.216 4.963 0 40 GJAB O=C(Nc1ccccc1Cl)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 77171600 YLLGVKSKEMYWTP-INIZCTEOSA-N 384.785 4.964 0 40 GJAB CC(=O)Nc1ccc(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 78710517 JBHBDPKOUJBILW-UHFFFAOYSA-N 381.476 4.751 0 40 GJAB C[C@@H](OC(=O)c1cc(F)c(F)c(F)c1F)C(=O)Nc1cccc2ccccc12 84070301 PAXZDCMRYRTWRZ-SNVBAGLBSA-N 391.320 4.580 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 95469948 XATXINRSRVVAGY-CHWSQXEVSA-N 389.402 4.966 0 40 GJAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@@H](c2c(F)cccc2Cl)S1 95473335 SXFWPEVNQABUMC-OAHLLOKOSA-N 381.860 4.619 0 40 GJAB COc1ccccc1CSCC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C 95950175 MSVWBZJYTPBLHI-UHFFFAOYSA-N 395.528 4.678 0 40 GJAB Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@@H]3/C=C/c3ccccc3)c2)n1 96002285 UFGHLSDGAOFDGW-XIQMRYHBSA-N 385.511 4.866 0 40 GJAB C=CC(=O)OCCCCCCOc1ccc(OC(=O)c2ccc(OC)cc2)cc1 98091082 DGTILUBISWZGND-UHFFFAOYSA-N 398.455 4.583 0 40 GJAB S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423257 FKKFVJQSKCKZDV-WOJBJXKFSA-N 385.964 4.822 0 40 GJAB CN(CCCNC(=O)CSCc1ccc(Cl)cc1Cl)c1ccccc1 222730182 IVFLUESJVLQXSR-UHFFFAOYSA-N 397.371 4.869 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 222975752 DYXLANIWFDYLBP-NHCUHLMSSA-N 394.519 4.784 0 40 GJAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223488082 CYUIZWHSGULWOF-QFIPXVFZSA-N 398.522 4.858 0 40 GJAB COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1C 224638459 IBAWMYRMBKYVMM-UHFFFAOYSA-N 383.469 4.621 0 40 GJAB Cc1cccc(NC(=S)NC2CCN(Cc3cccs3)CC2)c1Cl 225229881 JKXVNFCIUXLLOB-UHFFFAOYSA-N 379.982 4.661 0 40 GJAB COc1ccc(NC(=S)NCCSCc2ccc(C)cc2)cc1Cl 225292795 KSKFMOXHFBEPPG-UHFFFAOYSA-N 380.966 4.877 0 40 GJAB CC(C)Oc1cccc(NC(=S)NCCSCc2ccccc2F)c1 225413932 FIOPURWBDAUWNW-UHFFFAOYSA-N 378.538 4.833 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NC2(c3cccs3)CCCC2)c1C 225863906 NZXJOJTXGOWVKZ-UHFFFAOYSA-N 388.558 4.989 0 40 GJAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2cccnc12 225873430 ZWPPADABENYFOO-UHFFFAOYSA-N 390.483 4.629 0 40 GJAB Cc1cccnc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257330572 XOYMESREQPRTFY-GOSISDBHSA-N 381.863 4.600 0 40 GJAB Cc1ccccc1-n1cccc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 409242882 PMAVUYBXKQCPHN-QGOAFFKASA-N 377.831 4.536 0 40 GJAB CCOC(=O)NC1(C(Cl)(Cl)Cl)Oc2cc(Cl)c(Cl)cc2O1 727239 QIEYHMQVYVMJMJ-UHFFFAOYSA-N 395.453 4.535 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c1 856427 QUXGIEAJPOWHCA-UHFFFAOYSA-N 393.390 4.795 0 40 GJAB C[C@@H]1CN(c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2Cl)C[C@@H](C)O1 1087979 VCZMNVIKSOKHDW-VXGBXAGGSA-N 395.837 4.876 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1363926 KHOSFROIISNIMJ-KRWDZBQOSA-N 381.863 4.718 0 40 GJAB O=C(CSc1nccn1-c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 2468157 NYDRQGNPWDWHSQ-UHFFFAOYSA-N 393.390 4.502 0 40 GJAB O=c1c2c(nc(SCc3ccccc3)n1-c1ccc(Cl)cc1)CCS2 2720002 BVFKNIGBZLJYQU-UHFFFAOYSA-N 386.929 4.826 0 40 GJAB O=C(O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)C1CC1 3240562 CPGMAFSAFOVJLW-INIZCTEOSA-N 397.780 4.992 0 40 GJAB Cc1cc(NC(=O)COC(=O)c2cccc3ccccc23)ccc1Br 3301359 KLNZAAXURHLIDI-UHFFFAOYSA-N 398.256 4.706 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cccs1)c1ccccc1 3395816 PCWHNIQQINBIRF-LJQANCHMSA-N 381.453 4.684 0 40 GJAB COc1ccc(C)cc1NC(=O)CNc1ccccc1CN(C)C1CCCCC1 3413477 YTKIIMAVUBQKDV-UHFFFAOYSA-N 395.547 4.819 0 40 GJAB Cc1cc(CC(C)C)nc(-n2cc(-c3ccc(OCc4ccccc4)cc3)nn2)n1 4089218 FLVMMNCJKWSRCQ-UHFFFAOYSA-N 399.498 4.810 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](CC)C2 4558257 QHLUXNKRIAJECY-GFCCVEGCSA-N 375.465 4.831 0 40 GJAB O=C(c1ccccc1)c1cn(Cc2cccc(F)c2)c2c(F)cc(F)cc2c1=O 4936957 SMYCYSYYZPFNCI-UHFFFAOYSA-N 393.364 4.698 0 40 GJAB Cc1cc(CSc2nnc(-c3ccccc3F)n2CCc2ccccc2)no1 5282147 ZKNPLJFHYXKUDI-UHFFFAOYSA-N 394.475 4.916 0 40 GJAB CCCCn1c(=O)c2ccccc2n2c(SC/C=C/c3ccccc3)nnc12 5437066 RUYIFTVZBAHJIJ-FMIVXFBMSA-N 390.512 4.650 0 40 GJAB CN(C)C[C@@H]1CCCC[C@H]1OC(=O)CCCOc1ccc(Cl)cc1Cl 5526197 XBTCUCCTGZQYBA-WMLDXEAASA-N 388.335 4.816 0 40 GJAB CC(C)(C)C(=O)COC(=O)c1ccccc1CSc1nc2ccccc2o1 5803649 IMWVBFCXBBWTAA-UHFFFAOYSA-N 383.469 4.892 0 40 GJAB CCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 5978837 PVGDCPCQMUXSGF-UHFFFAOYSA-N 399.299 4.615 0 40 GJAB Cc1ccccc1OCCSc1nc(-c2ccccc2Br)n[nH]1 6072737 USTKVBHTVHTGTF-UHFFFAOYSA-N 390.306 4.714 0 40 GJAB CCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(F)cc32)cc1 6600824 XRXNLRURVYUDCA-UHFFFAOYSA-N 377.394 4.797 0 40 GJAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1 6679920 SSDTUJFEYDHVQN-QMMMGPOBSA-N 399.328 4.959 0 40 GJAB O=C(Cn1nc(-c2ccccc2)c2cnc3ccccc3c21)Nc1ccccc1 6817109 JYKCSXIKDFRKQR-UHFFFAOYSA-N 378.435 4.890 0 40 GJAB COc1ccccc1OCC(=O)Oc1ccc2cc(Br)ccc2c1 7264486 SNGGUDSPGACJOP-UHFFFAOYSA-N 387.229 4.595 0 40 GJAB Cc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1Cl 7389168 BEWMABLIWBIBDZ-UHFFFAOYSA-N 377.831 4.782 0 40 GJAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)s1 7986852 QSHVGSGNJSMUCP-MRXNPFEDSA-N 381.888 4.992 0 40 GJAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCC[C@H]1c1nc2ccccc2s1 8076237 MZWAZGUROCTNJC-KAMXEHQASA-N 392.480 4.792 0 40 GJAB CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3ccccc3)[nH]c2=S)cc1 8189822 ZQQNOJQXXXFYJF-IBGZPJMESA-N 380.517 4.801 0 40 GJAB CCc1ccc2c(CC(=O)Nc3cc(Cl)ccc3N3CCOCC3)coc2c1 8393406 MWEWRWMXQQZYJR-UHFFFAOYSA-N 398.890 4.666 0 40 GJAB CC(=O)c1cccc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)c1 8511412 MADIMQQZEAQXEU-UHFFFAOYSA-N 389.407 4.540 0 40 GJAB biogenic Cc1nc(SCC(=O)N[C@@H]2CCCc3ccccc32)c2c(C)c(C)sc2n1 8756836 QMYYQLILAPLRJA-QGZVFWFLSA-N 397.569 4.902 0 40 GJAB CCc1cccc(C)c1NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 8986933 HFOWIHDTPXRLIC-UHFFFAOYSA-N 383.451 4.509 0 40 GJAB CCOc1ccccc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 12755647 XNXQMDBNIRRAHT-UHFFFAOYSA-N 378.453 4.885 0 40 GJAB CCc1ccccc1NC(=O)CN(C)Cc1ncc(-c2ccc(Cl)cc2)o1 12886941 YLUHVYLFQYIBIC-UHFFFAOYSA-N 383.879 4.628 0 40 GJAB COc1cccc(OCCCN2CCC(c3nc4ccccc4s3)CC2)c1 13685154 YNPVHLMKADCFBA-UHFFFAOYSA-N 382.529 4.953 0 40 GJAB CCOC(=O)/C=C(/NN(c1ccccc1)c1ccccc1)c1ccc(OC)cc1 18192629 XOHIZCOBSGUZKJ-PTGBLXJZSA-N 388.467 4.942 0 40 GJAB CCCCCOc1ccc(C(=O)[C@@H](CN2CCOCC2)c2ccccc2)cc1 19313974 YQEZEBGRXNQCIS-QHCPKHFHSA-N 381.516 4.554 0 40 GJAB CCCC(=O)N1CC[C@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 19501071 UBMIEKRNTAFQBT-HSZRJFAPSA-N 398.572 4.501 0 40 GJAB Cc1noc2nc(C3CCN(C(=O)C4CCCCC4)CC3)cc(C(F)(F)F)c12 19564571 BUPQSHHHLHUSEW-UHFFFAOYSA-N 395.425 4.836 0 40 GJAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(N(C)C)c1 23053456 XVBLUHQYLRQKEB-UHFFFAOYSA-N 398.894 4.508 0 40 GJAB CCCCN1C(=O)COc2ccc(NC(=O)c3oc4ccccc4c3C)cc21 32593476 CYYIUWSQDNIMAV-UHFFFAOYSA-N 378.428 4.519 0 40 GJAB Cc1c(C(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)oc2c1C(=O)CC(C)(C)C2 40115497 POPNJHKTRMDYMK-LBPRGKRZSA-N 375.415 4.855 0 40 GJAB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44873344 LKRIZDFRAGTLJE-IBGZPJMESA-N 382.573 4.611 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)c1C 44885524 AILVOUDYICJWMD-QGZVFWFLSA-N 375.852 4.621 0 40 GJAB COc1cc(CNC(=O)N2CCC[C@@H]2c2cccc3ccccc23)ccc1O 56607718 ZRPWEGDAZZUZKA-HXUWFJFHSA-N 376.456 4.601 0 40 GJAB Cn1cccc1[C@H]1CCCN1[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 57286345 SHTVCSQULVJSJJ-YADHBBJMSA-N 377.463 4.681 0 40 GJAB CN(c1ccc(Oc2nc3ccccc3o2)cc1)S(=O)(=O)c1ccc(F)cc1 58394207 MXJJVUTURPDNRB-UHFFFAOYSA-N 398.415 4.584 0 40 GJAB O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2ccc(Cl)cc2)C1=O 70007834 LGWDWHPHOMESRJ-KRWDZBQOSA-N 377.868 4.793 0 40 GJAB CC[C@H](C)Nc1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72213462 HFMCMJUZHMBYDZ-PXNSSMCTSA-N 387.549 4.516 0 40 GJAB O=C(NCCc1ccccn1)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 72309683 AURCXOITMGKOQE-UHFFFAOYSA-N 396.491 4.510 0 40 GJAB CCN(C(=O)[C@@H](C)[S@@](=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 78556046 YLYSVNUUJOKYJF-YEBMWUKDSA-N 384.328 4.684 0 40 GJAB Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCCC[C@H]1OCCC(C)C 89548271 JCPAMNVCOYFEIJ-PKOBYXMFSA-N 390.549 4.744 0 40 GJAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@@H]3c2ccccc2Cl)cc1 95476904 RPZMZKQQAIJCCI-QGZVFWFLSA-N 399.859 4.648 0 40 GJAB CCCN(CC)C(=O)c1ccc2onc(-c3csc(-c4cccnc4)n3)c2c1 96154414 QGGLWIKCKBUTLL-UHFFFAOYSA-N 392.484 4.885 0 40 GJAB CC(C)(C)OC(=O)N1CC[C@]2(CCc3ccc(OCc4ccccc4)cc3O2)C1 96345743 ADYGLGHDMUXLAH-XMMPIXPASA-N 395.499 4.970 0 40 GJAB CN(C)c1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)cc1 101338536 PTQCPIMEQCMSKF-UHFFFAOYSA-N 386.455 4.582 0 40 GJAB CC(C)Oc1ccc(C(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)cc1 207965710 XNIMFKKONTVIKU-IBGZPJMESA-N 387.526 4.609 0 40 GJAB C[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 222742851 ZANNRVJPCJXHLD-GFCCVEGCSA-N 380.271 4.575 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 223227966 WXQPEWRLNLZDPS-QFIPXVFZSA-N 394.559 4.650 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C 224148379 HYDDKKPDTJONKE-ZDUSSCGKSA-N 387.892 4.881 0 40 GJAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NCCC1=CCCCC1 225802470 DFTYFHHFMCZBIY-UHFFFAOYSA-N 393.409 4.695 0 40 GJAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)C(C)(C)C 408625537 DUAPFMOQMUGMSY-UHFFFAOYSA-N 394.496 4.628 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 409132187 ZAHFMTGBHMAIPM-QFGIDJEJSA-N 388.467 4.987 0 40 GJAB O=C(c1ccc(Cn2cccn2)cc1)N1CC2(CCCC2)c2c(F)cccc21 500135493 KYSHNNWGRWKSMZ-UHFFFAOYSA-N 375.447 4.543 0 40 GJAB O=C(O)c1ccccc1C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 669493186 GJGPOBSGZXUNQH-UHFFFAOYSA-N 392.377 4.815 0 40 GJAB CSc1ccc([C@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)cc1 1547208900 COBABCUVLCBVDE-LJQANCHMSA-N 389.480 4.740 0 40 GJAB CC1CCN(C(=O)c2cc(Cl)cc(Cl)c2NC(=O)c2ccco2)CC1 644169 FKZGSBZMXWFSDJ-UHFFFAOYSA-N 381.259 4.711 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cccs2)CC1 783973 CRRFTCKJTCKULX-UHFFFAOYSA-N 383.300 4.546 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 839156 GOLGJFVOYUZGCS-UHFFFAOYSA-N 384.819 4.732 0 40 GJAB CCc1ccc(NC(=O)CSc2nnc3c(C)cc4cc(C)ccc4n23)cc1 877088 LCCCYFUUOLQVRW-UHFFFAOYSA-N 390.512 4.793 0 40 GJAB CCOc1ccc(/C=C/C(=O)Nc2nnc(C(CC)CC)s2)cc1OC 937392 OIUZPRHMNBNBAN-PKNBQFBNSA-N 375.494 4.501 0 40 GJAB CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1066786 PBEVMHPGDGVRJF-CQSZACIVSA-N 385.411 4.501 0 40 GJAB Cc1ccc(N2C(=O)C(Cc3ccccc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 1082430 PXRZLQVIVOVCRQ-UHFFFAOYSA-N 398.462 4.662 0 40 GJAB COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)Cc2ccccc2)cc1 1085079 VLHGIDGUOVCBGU-UHFFFAOYSA-N 386.403 4.617 0 40 GJAB Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2F)C3)cc1 1370610 DCEPUEYTNTUGLE-PMACEKPBSA-N 381.495 4.841 0 40 GJAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC[C@@H]1CCCO1 2759131 MSNVDZLJEAPNNR-KRWDZBQOSA-N 380.875 4.772 0 40 GJAB Cc1ccc(Nc2nc(C(=O)NCCc3c[nH]c4ccccc34)cs2)cc1 4675340 MYILEIWJGYMBTF-UHFFFAOYSA-N 376.485 4.649 0 40 GJAB CCC(C)(C)c1ccc(OCCCC(=O)Nc2nc[nH]n2)c(C(C)(C)CC)c1 4724989 WQPZBKWZEHYBQB-UHFFFAOYSA-N 386.540 4.978 0 40 GJAB c1csc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 5180654 MTMODDHTEBMFBX-IERDGZPVSA-N 376.437 4.719 0 40 GJAB O=C(Cc1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccccc2s1 5264552 NFNDQFRKZGFUJD-UHFFFAOYSA-N 377.444 4.606 0 40 GJAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(Cl)cc1 7192547 GIWLAPYICMFPJB-SNVBAGLBSA-N 377.828 4.648 0 40 GJAB COc1ccc(-c2nnc(SCc3cc(C)on3)n2-c2ccccc2)cc1 7371187 VJSAOYUGDZQZDB-UHFFFAOYSA-N 378.457 4.532 0 40 GJAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1cccc2ccccc12 7551280 JJDICYHKQIGWML-AWEZNQCLSA-N 392.528 4.613 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(C)cc2C)c1C 7790943 CTOXKIZEGDLFCX-UHFFFAOYSA-N 376.456 4.518 0 40 GJAB C#CCOc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 8277557 ZFOCTBSRTGLJRB-LDADJPATSA-N 382.872 4.552 0 40 GJAB CCCN1C(=O)CCc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 9107094 AMVYJTJUFSNQRD-UHFFFAOYSA-N 376.378 4.647 0 40 GJAB CCCCN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1ccccc1 9384782 CRQGPVQPBQWWAZ-UHFFFAOYSA-N 397.496 4.700 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 10447279 JDNRPGSHSWAOOJ-AWEZNQCLSA-N 390.936 4.941 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)c(C)c1 10750755 ZGWKUKWLZOABSU-HNNXBMFYSA-N 385.895 4.523 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)c(C)c1 11358250 FJRFLZYSXKARAZ-UHFFFAOYSA-N 391.496 4.806 0 40 GJAB Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(-c3cccs3)cs2)n1 11693798 NSBCOMQLQPYQDZ-UHFFFAOYSA-N 384.461 4.757 0 40 GJAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc(Cl)ccc1Cl 11694359 GSWRSWODSWSVCF-UHFFFAOYSA-N 394.233 4.969 0 40 GJAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cccc(Cl)c1Cl 12249276 YKIMUMOXYUNGSE-UHFFFAOYSA-N 394.283 4.698 0 40 GJAB Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(Cl)cc1 12420635 WOCUGBOVWGMICD-UHFFFAOYSA-N 388.254 4.748 0 40 GJAB O=C(NCCc1ccccn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12476436 DYRWKHVHXZZCII-UHFFFAOYSA-N 387.870 4.923 0 40 GJAB CC(C)c1ccc(CN(C)Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 12787257 SMYZOAMTMJXHSX-UHFFFAOYSA-N 398.507 4.685 0 40 GJAB Cc1cc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)no1 12875934 RUKOQHOSZDZYOS-FDDCHVKYSA-N 389.499 4.664 0 40 GJAB CC[C@@H](Oc1ccccc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 12911826 SNJOOQVOQVSIKU-LJQANCHMSA-N 380.513 4.860 0 40 GJAB COc1cc(C)c(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1OC 14094005 VGGJNGSTPJZGTA-UHFFFAOYSA-N 395.430 4.983 0 40 GJAB C[C@H]1CCCCN1CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 14193811 HZXRHAHJKAVFBZ-NSHDSACASA-N 384.332 4.930 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1SC[C@H]1CCCO1 14246494 ODBPYJFYFOOYSP-OAHLLOKOSA-N 398.553 4.840 0 40 GJAB O=C(Nc1ccc(F)cc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14262427 ZXOVPEMXILWMEH-UHFFFAOYSA-N 387.817 4.935 0 40 GJAB CC(=O)N[C@@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 15600748 TZRLVVMVZIRNIA-INIZCTEOSA-N 384.785 4.565 0 40 GJAB CN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 15940972 RLJRRMKQDDHJTP-NRFANRHFSA-N 392.886 4.864 0 40 GJAB CCc1nc2cc(NC(=O)c3sc(-c4ccccn4)nc3C)ccc2n1CC 19523216 MUSRNWCLFLRONR-UHFFFAOYSA-N 391.500 4.698 0 40 GJAB COc1ccc(CN(C)C(=O)c2cccnc2Sc2ccccc2)c(OC)c1 22505464 PPBZHCRHVFTSCE-UHFFFAOYSA-N 394.496 4.522 0 40 GJAB O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 28328981 UFXUPMPTVPNFML-MRXNPFEDSA-N 378.255 4.742 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 32622295 FWVKLDFWWFQFCF-UHFFFAOYSA-N 399.450 4.984 0 40 GJAB CCC(CC)[C@H](NC(=O)Cc1cc(OC)c(OC)c(OC)c1)c1ccccc1 32915559 DAEOZXUSVSGLAA-QFIPXVFZSA-N 385.504 4.549 0 40 GJAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)C[C@@H](c1ccc(F)cc1)OC2=O 33026892 CCWZLTQEWBKHQJ-FQEVSTJZSA-N 379.362 4.671 0 40 GJAB O=C(Nc1ccccc1F)c1ccc2c(c1)C[C@@H](c1ccc(F)cc1)OC2=O 36635957 ORNJFCFFVIWUIY-FQEVSTJZSA-N 379.362 4.671 0 40 GJAB Cc1c(Cl)cccc1NC(=O)Cc1cc(-c2ccc3c(c2)C[C@@H](C)O3)on1 38498860 GOXVTKKVTKLKTB-GFCCVEGCSA-N 382.847 4.808 0 40 GJAB O=C(Nc1ccccc1Cc1ccccc1)N1CCN(Cc2cccs2)CC1 40098905 WJMWAFBPBWNIKT-UHFFFAOYSA-N 391.540 4.689 0 40 GJAB COc1ccc(CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1 40143300 ZKWJAELBDOACQL-UHFFFAOYSA-N 393.668 4.522 0 40 GJAB CC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 43653028 IOSVVQCZQQOFGH-HSZRJFAPSA-N 385.467 4.825 0 40 GJAB C[C@@]1(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CC1(Cl)Cl 46734054 XWNCZCJFMHJZKE-SFHVURJKSA-N 395.261 4.529 0 40 GJAB O=c1c2ccccc2nc(SCCCc2nc3ccccc3o2)n1C1CC1 58009068 NFCOZRNZWYZJLJ-UHFFFAOYSA-N 377.469 4.598 0 40 GJAB C[C@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2C(F)(F)F)o1 58791426 AJNGRYTXNMCFSY-SWLSCSKDSA-N 399.434 4.775 0 40 GJAB Cc1ccc(-c2ncc(C(=O)NC3CCN(c4ccccc4)CC3)s2)c(C)c1 69452272 ACJJEQBQVLFBNT-UHFFFAOYSA-N 391.540 4.826 0 40 GJAB O=C(O)CC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 70915568 BLEWZDAVWPLFAA-INIZCTEOSA-N 379.456 4.512 0 40 GJAB COc1cc(NC(=S)Nc2cccc(Cl)c2F)c(OC)cc1Cl 71326214 LPOFNQWWYYDPES-UHFFFAOYSA-N 375.252 4.959 0 40 GJAB FC(F)(F)c1cccc(-c2cncc(C3CCN(C4CCOCC4)CC3)n2)c1 72359752 ZNHMOJXIHCCGQR-UHFFFAOYSA-N 391.437 4.521 0 40 GJAB CCC(CC)[C@H](CCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)OC 89943075 QOJXFPUPFOLRCB-QFIPXVFZSA-N 396.531 4.818 0 40 GJAB O=C(Cc1ccccc1Cl)NCCn1nc(-c2cccs2)cc1C1CC1 96121603 LDGUIEDHOIRUGX-UHFFFAOYSA-N 385.920 4.501 0 40 GJAB COCCn1ccc2ccc(C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)cc21 96230782 UGNDAYKPQPHKLI-OAQYLSRUSA-N 387.483 4.576 0 40 GJAB O=C(Cc1cccc(Br)c1)OCc1ncc(-c2ccc(F)cc2)o1 97212232 JJLZUESYEWEQQT-UHFFFAOYSA-N 390.208 4.529 0 40 GJAB COc1ccc2nc(NC(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)sc2c1 101042956 UXCFAZBOYFMCDB-TYGXQLQZSA-N 376.909 4.821 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)N1CCS[C@H](c2ccco2)CC1 207007268 RQPQIMQHRJVCRR-INIZCTEOSA-N 386.300 4.672 0 40 GJAB COc1ccc2ccccc2c1CCC(=O)NC[C@H]1CCCN1c1ccccc1 207989349 QZWQZCXTXSWQIS-OAQYLSRUSA-N 388.511 4.566 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCCCc2cccc(OC(C)C)c2)cc1 222894960 PCNOLIAISHUMIG-QHCPKHFHSA-N 383.532 4.943 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 223768584 UILABSCQOLTULG-SFTDATJTSA-N 392.528 4.650 0 40 GJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C)ccc3C)cc2)c1 225051249 QMNVAJGYEXQAMH-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1OCC 225078079 AVEMQMANKYMHAA-QGZVFWFLSA-N 397.515 4.619 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225738557 GLHSCGYEQQACQA-QHCPKHFHSA-N 390.568 4.721 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1Cl 226268722 DJACEKXPGHMDBI-UHFFFAOYSA-N 394.302 4.827 0 40 GJAB Cc1cc(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc(C)c1Cl 226312134 BVUDZUVJRBJOQN-UHFFFAOYSA-N 396.299 4.820 0 40 GJAB O=C(CC1CCCC1)N1CCC[C@@H]1c1ccnc2ncc(-c3ccc(F)cc3)n12 257212615 CEFLLJAGFSMAHL-LJQANCHMSA-N 392.478 4.779 0 40 GJAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccccc2)c1 408695079 OOZSKCPULAGEPA-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CCCSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2s1 408750719 QWINTMHSHSQOFJ-OLZOCXBDSA-N 378.519 4.628 0 40 GJAB COc1ccc(OC)c(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 408827292 CPVQONDLGRNQSG-UHFFFAOYSA-N 382.243 4.612 0 40 GJAB COc1cccc2c1CC[C@H]2NC(=O)Cc1sc(C)nc1-c1cccs1 675367251 JXSJWFNOIUOLQB-OAHLLOKOSA-N 384.526 4.535 0 40 GJAB COc1cc2c(cc1NC(=O)c1ccccc1-c1ccccc1C)NC(=O)CC2 1536570472 YTCXLTXGVSILGU-UHFFFAOYSA-N 386.451 4.808 0 40 GJAB Cc1ccccc1C1=NO[C@H](C(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)C1 1540500627 MHOBLCBUQGNRAQ-QHCPKHFHSA-N 392.543 4.761 0 40 GJAB C[C@@]1(Cc2ccccc2F)CCCN1CC(=O)Nc1ccc(F)c(Cl)c1 1654837818 LHJUVFFFBNHZEH-FQEVSTJZSA-N 378.850 4.654 0 40 GJAB Cc1cc(C)cc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c1 637592 CHQURUJKEPAPBM-ZCOIRKDISA-N 393.486 4.874 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1nnc2c(C)cc3ccc(C)c(C)c3n12 903195 HLQZFXLNXLWRRI-GOSISDBHSA-N 396.560 4.691 0 40 GJAB COc1ccc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2c1 951186 CZYSJLXDZPQDJH-UHFFFAOYSA-N 383.256 4.629 0 40 GJAB CCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 987731 FSWKQSTYEJKBNX-UHFFFAOYSA-N 375.266 4.748 0 40 GJAB COC[C@@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 1447669 PAYXANVYZBLTQK-OAHLLOKOSA-N 376.435 4.673 0 40 GJAB CC(C)CC[C@@H](CCNCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 2130575 UUVVUHWQQFXWDI-SFHVURJKSA-N 383.488 4.844 0 40 GJAB biogenic COc1ccc(-c2c(-c3ccc(OC)cc3O)ncnc2C(F)(F)F)cc1 2194252 OMNIJVGGDKGXQV-UHFFFAOYSA-N 376.334 4.552 0 40 GJAB biogenic CCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(Cl)cc1 2706409 HIKQIZJDGSZTJK-UHFFFAOYSA-N 391.953 4.732 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC1CCCCC1 3278505 KFHCUZWJAOYFFM-FQEVSTJZSA-N 384.907 4.650 0 40 GJAB COc1cccc(NC(=O)[C@H](OC(=O)c2sccc2C)c2ccccc2)c1 3325586 SFZCVKRWBXDZLM-GOSISDBHSA-N 381.453 4.602 0 40 GJAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1C 3370706 AQFGBWWCCWSEKS-FXAWDEMLSA-N 394.515 4.899 0 40 GJAB C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ccc2c(c1)OCO2 3399500 DUDGFGQMHJCPQZ-GFCCVEGCSA-N 384.482 4.658 0 40 GJAB CCCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C 4062261 SYZPMKWAWXXMIL-UHFFFAOYSA-N 396.541 4.503 0 40 GJAB COc1ccc(OC)c2sc(NC(=O)c3cc(Cl)ccc3Cl)nc12 4292215 NZWRVOWWXJLEMS-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB CCc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN31)C(=O)N2 4424403 RKENTDBSUSWXHA-WIOPSUGQSA-N 395.462 4.598 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OC1(CCCCC1)O2 5135573 AIHYDRQUWOMVLA-UHFFFAOYSA-N 395.484 4.725 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(SC)c3)n2)c1 5222613 HMKSEYUIMZNKJU-UHFFFAOYSA-N 386.498 4.802 0 40 GJAB Cc1ccccc1Cn1c([C@@H](C)NC(=O)c2cccs2)nc2ccccc21 5235258 MOFIARYTCYNXOW-MRXNPFEDSA-N 375.497 4.946 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)OC/C=C/c2ccccc2)cc1 5678799 ABSRQXIDXGMCCE-RMKNXTFCSA-N 377.440 4.670 0 40 GJAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)n2)cc1 5867200 GMUXFXSHPDTQOL-LLVKDONJSA-N 390.871 4.692 0 40 GJAB C[C@H](OC(=O)c1cccc(Oc2ccccc2)c1)c1nc2ccccc2c(=O)[nH]1 6291732 XNKRFTQULKFUMR-HNNXBMFYSA-N 386.407 4.633 0 40 GJAB CC1(C)C[C@@](CCNC[C@H]2CCCO2)(c2cccc(C(F)(F)F)c2)CCO1 6668932 HXJJJRCIZANMKF-QUCCMNQESA-N 385.470 4.691 0 40 GJAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc([C@@H](C)CC)cc3)CC2=O)cc1 7079606 HVEMFGKNRFQOEN-FUHWJXTLSA-N 380.488 4.590 0 40 GJAB O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)C(F)(F)F 8071109 OQTADYHAJPRAHX-UHFFFAOYSA-N 385.139 4.758 0 40 GJAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccnn2C2CCCC2)c1 8725278 LGDXPDAPKFGGLV-UHFFFAOYSA-N 395.532 4.532 0 40 GJAB COc1ccc([C@H](CC(=O)Nc2ccccc2-c2ccccc2)NC(C)=O)cc1 8726186 MTNXBCFCOHPHDB-QHCPKHFHSA-N 388.467 4.568 0 40 GJAB O=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 9227195 MXOIYRFZUSOELX-UHFFFAOYSA-N 388.870 4.723 0 40 GJAB Cc1ccc(Nc2nc(N)nc(CSc3ccc(F)c(Cl)c3)n2)cc1 9634746 DDJRSYVHTQJJAM-UHFFFAOYSA-N 375.860 4.591 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccccc2Br)cc1OCC 10038570 IINDILGTIKTOQX-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB c1ccc(-n2c(Cc3cccs3)nnc2SCCc2ccccn2)cc1 10377295 FZHPJEZWEASJDU-UHFFFAOYSA-N 378.526 4.649 0 40 GJAB COc1cc(CNC(=O)c2ccc(-c3ccccc3)nc2C)ccc1OC(F)F 10442051 CTKBBUQAWKUIOU-UHFFFAOYSA-N 398.409 4.597 0 40 GJAB COc1cc([C@@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccccc1F 12419595 MWORTODJTUKLJU-HNNXBMFYSA-N 383.444 4.949 0 40 GJAB CC[C@H](C(=O)O[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F)c1ccccc1 12569407 OJZZKFGVEUBSJK-YJBOKZPZSA-N 380.362 4.798 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(Cl)c(Cl)c2)N1C[C@@H]1CCCO1 12595524 NBHVJJCMPKDAMC-UGSOOPFHSA-N 377.271 4.739 0 40 GJAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1 12596803 MSBDGFUTQMCLPT-INIZCTEOSA-N 392.455 4.935 0 40 GJAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(SCc2cccnc2)cc1 12649394 PZQRXCPGNMEFBC-WYMLVPIESA-N 382.510 4.787 0 40 GJAB FC(F)(F)c1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 12668469 DQVHTZNZHDOEAA-UHFFFAOYSA-N 388.393 4.530 0 40 GJAB Cc1ccccc1CN(C)[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12792239 FEHZOXPLFYASII-CQSZACIVSA-N 379.485 4.746 0 40 GJAB COc1cc(CN(C(=O)Nc2ccc(F)cc2)C2CC2)ccc1OC(F)F 12975759 MHMAXRWLZYMPFG-UHFFFAOYSA-N 380.366 4.632 0 40 GJAB O=C(c1cc(C(=O)c2ccccc2)c2nc3ccccc3n2c1)c1ccccc1O 14013525 CSKFQARIRTYJSO-UHFFFAOYSA-N 392.414 4.655 0 40 GJAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc2ccccc2c(=O)s1 15671395 XKDKRDLYPCILMX-UHFFFAOYSA-N 396.468 4.700 0 40 GJAB COc1cc2c(cc1OC)[C@H](CNC(=O)Cc1ccccc1F)C1=C2CCCC1 19550718 DGPQUEXMWYGFKX-HXUWFJFHSA-N 395.474 4.627 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1 20041924 HGKGKIPYMBKMAY-QHCPKHFHSA-N 380.532 4.808 0 40 GJAB CC(C)n1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1-c1cc2ccccc2o1 20171755 ARFRDABBJOYFRU-AWEZNQCLSA-N 398.532 4.812 0 40 GJAB O=C(CSc1ccccc1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 20610903 IANFDEWRJHHRTG-UHFFFAOYSA-N 394.887 4.805 0 40 GJAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1cn(C)c2ccccc12 23239930 VJGLTEVNCWGYFI-IBGZPJMESA-N 390.314 4.518 0 40 GJAB CC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)CCC4)o2)cc1 28231311 VXMGUKJPPLZGFL-UHFFFAOYSA-N 375.424 4.802 0 40 GJAB O=C(COc1cccc2cccnc12)Nc1cc(C(F)(F)F)ccc1Cl 28249725 IQWROPDVQBPHER-UHFFFAOYSA-N 380.753 4.925 0 40 GJAB Cc1cc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1N1CCCC1 30448705 ZKYRLMXLAJPNJE-CQSZACIVSA-N 382.533 4.683 0 40 GJAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccccc1 32610199 CAMDJNHJAMWRCX-UHFFFAOYSA-N 389.377 4.808 0 40 GJAB Cc1ccc2c(CC(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)coc2c1C 32776631 WNBZYXNXGKAFEW-FQEVSTJZSA-N 379.456 4.789 0 40 GJAB O=C(NCc1cccc(OCc2ccccn2)c1)c1cc(Cl)ccc1Cl 32930585 WSXMIEVCBORQMD-UHFFFAOYSA-N 387.266 4.897 0 40 GJAB Cc1ccccc1/C=C/c1ccnc2nc(N3c4ccccc4C[C@H]3C)[nH]c(=O)c12 40388427 LXQFSYKFNQXPEB-FMQWLBJXSA-N 394.478 4.880 0 40 GJAB CSCC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc2ccccc2c1 41157953 DCWYIAKAHUQBSR-OAQYLSRUSA-N 392.524 4.638 0 40 GJAB Cc1cc(C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c2cnn(C(C)C)c2n1 48263746 RDHOUPSVWCKEOM-JOCHJYFZSA-N 399.498 4.577 0 40 GJAB CCCc1nnc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)s1 61717819 DMGKLTVFUAXTBO-UHFFFAOYSA-N 395.513 4.657 0 40 GJAB COc1ccc(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)cc1OC 64936454 WFBVJFZLRADOCZ-UHFFFAOYSA-N 398.450 4.642 0 40 GJAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72214526 HUWUCGLJQVNJLO-MRXNPFEDSA-N 391.512 4.915 0 40 GJAB Cc1cc(C)nc(SCc2ccc(C(=O)NCCSc3ccccc3)o2)n1 79481698 SKAFTWGRVPHLRL-UHFFFAOYSA-N 399.541 4.501 0 40 GJAB COc1cccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3nc4ccccc4[nH]3)C2)c1 95116633 MLZMCIQAWPGJKR-JOCHJYFZSA-N 396.450 4.563 0 40 GJAB O=C(c1cncnc1-c1ccccc1)N1CCCc2cc(OC(F)(F)F)ccc21 95462476 NJHOZIJWDCHLTE-UHFFFAOYSA-N 399.372 4.635 0 40 GJAB FC(F)c1nc(N2CCC[C@@H](n3nccc3C(F)(F)F)C2)c2ccccc2n1 95466012 MDRXEFDKWAAKMS-LLVKDONJSA-N 397.351 4.624 0 40 GJAB COc1ccc(-c2cn[nH]c2-c2cc(Br)c(OC)c(OC)c2)cc1 96336881 DZRODQQOIFJECG-UHFFFAOYSA-N 389.249 4.532 0 40 GJAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(C)C 106680876 ZLHIQLCGINDSFL-UNOMPAQXSA-N 383.469 4.719 0 40 GJAB COc1ccc(-c2nc(Nc3ccccc3C)sc2CC(=O)O)cc1OC 146546196 OIHPPAJHWRFCTL-UHFFFAOYSA-N 384.457 4.506 0 40 GJAB O=C(c1nc2ccccc2s1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219321978 QEFWLVVWXHVNHX-MRXNPFEDSA-N 390.480 4.895 0 40 GJAB O=C(COc1ccc2ccccc2c1)NCCSCc1cccc(Cl)c1 222831920 NQBIHQVZLVDKBB-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB CN(Cc1cccc2ccccc12)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223746935 USHUUOUJSNUXBM-UHFFFAOYSA-N 395.524 4.764 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 225643547 ARFHDDPLUQPLIK-QGZVFWFLSA-N 397.500 4.627 0 40 GJAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225737939 LLOIASADDIGDDY-KRWDZBQOSA-N 386.373 4.547 0 40 GJAB O=C(NCc1ccnc(-c2ccsc2)c1)c1cc(-c2ccc(F)cc2)c[nH]1 225755681 HPLQWVGFCVTKDC-UHFFFAOYSA-N 377.444 4.874 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)NCCSc1ccc(Cl)cc1 225809697 JFLKADXAIMWYPH-UHFFFAOYSA-N 389.826 4.646 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OCC)ccc1O[C@@H](C)CC 225818939 DRVOGFUKSDQIQN-AOMKIAJQSA-N 393.524 4.820 0 40 GJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 408624000 AFOHPXBUKYGRBH-INIZCTEOSA-N 381.545 4.755 0 40 GJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cn(CC)c4ccccc34)S2)cc1 408789923 OQHPTXVVPSPVQE-VLOXRPPESA-N 377.513 4.823 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(I)c(C)c2)c(Cl)c1 409050961 FLBDMGAIYBSCFW-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB CCOc1cc(Br)c(/C=C2\C(=O)Nc3ccccc32)cc1OCC 409114200 DNQFOAAZPNFLSD-ZROIWOOFSA-N 388.261 4.739 0 40 GJAB COc1cccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C=C4C)c1 575473077 FJVYAWBZPPMBIP-UHFFFAOYSA-N 389.451 4.664 0 40 GJAB O=C(O)c1ccccc1CN1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 618016960 YEXKCXMTQZWMLE-NRFANRHFSA-N 376.456 4.691 0 40 GJAB O[C@H]1CCCC[C@@H]1Nc1ccc(-c2cc(F)ccc2OCc2ccncc2)cn1 629705307 IGUFTJFQGXMGFV-SFTDATJTSA-N 393.462 4.577 0 40 GJAB CCOc1ccc(Oc2ccccc2NC(=O)N2CC[C@@]3(CCCOC3)C2)cc1 665204768 PAGCMHVQIKKKLL-QHCPKHFHSA-N 396.487 4.912 0 40 GJAB Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N3CCc4ccccc43)c2)n1 1538661464 QLGAOCUCUXATLA-UHFFFAOYSA-N 378.863 4.693 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc1 670377 LOIGKRVKJJWXRW-JLHYYAGUSA-N 399.512 4.853 0 40 GJAB CCC(=O)Nc1ccc2nc(C)n(Cc3ccc(-c4ccccc4)cc3)c(=O)c2c1 930719 OIRIYPIZRPHJRB-UHFFFAOYSA-N 397.478 4.769 0 40 GJAB CC[C@H](C)OC(=O)COc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 957126 RFQUKHQWYGXBKO-HNNXBMFYSA-N 382.412 4.614 0 40 GJAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)cc1 970541 ZEIKLRJLJKMZHB-UHFFFAOYSA-N 396.450 4.685 0 40 GJAB CCOC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CC[C@H](C(C)(C)C)C2 996175 JDVMNQLTEAELRP-VIFPVBQESA-N 377.428 4.577 0 40 GJAB Cc1ccc2nc(S[C@@H](Cc3cc(Cl)ccc3Cl)C(=O)O)[nH]c2c1 1453213 GPIXLZMBKNGRSR-HNNXBMFYSA-N 381.284 4.966 0 40 GJAB CCCSc1nc2sc3c(c2c2nnc(SCC)n12)CC(C)(C)OC3 2195825 JBXBVXXRBVATID-UHFFFAOYSA-N 394.591 4.804 0 40 GJAB CC[C@]1(C)Cc2c(sc3nc(SCc4ccc(F)cc4)nc(N)c23)CO1 2221002 BLDKMBWFSMRRQP-LJQANCHMSA-N 389.521 4.946 0 40 GJAB CCCCn1nc(NC(=O)c2ccccc2OC)c2cc3cccc(C)c3nc21 2613056 HRAFJHZLFYUIEW-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB O=S(=O)(c1ccc(Cl)cc1F)N(Cc1ccco1)Cc1cccs1 3398678 QBZCXVDFMOARKX-UHFFFAOYSA-N 385.869 4.525 0 40 GJAB COc1ccc(CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 3431081 JJBIMVBZRDWPEZ-UHFFFAOYSA-N 382.485 4.625 0 40 GJAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)Cc2ccc(F)cc2)CSC3)c1 4223639 OHEQYZCWMCAGHG-UHFFFAOYSA-N 381.476 4.556 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1C 4800422 KQHHGOWKLSTRTF-OAHLLOKOSA-N 390.512 4.559 0 40 GJAB CCn1c(C(O)(c2ccccc2)c2nc3ccccc3n2CC)nc2ccccc21 4811338 LSLKQUPAYFKAJI-UHFFFAOYSA-N 396.494 4.710 0 40 GJAB COc1cc(/C=C/C(=O)O)c(Br)cc1OCc1ccccc1Cl 6453598 YIXDYYZFHVGJKY-VOTSOKGWSA-N 397.652 4.788 0 40 GJAB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)NCCc1ccccc1 6495886 JMJYXPVKDOJCKI-HAVVHWLPSA-N 382.463 4.531 0 40 GJAB Cc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 7602665 ZRBLLSOCYDFZMG-UHFFFAOYSA-N 395.315 4.879 0 40 GJAB CC(C)[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1cccs1 8157289 FCIQTLCYCURYCO-LJQANCHMSA-N 396.541 4.735 0 40 GJAB Cc1ccccc1OCc1nnc(SCc2cscn2)n1-c1ccccc1 8190354 UBQOEPDSKIVCDE-UHFFFAOYSA-N 394.525 4.904 0 40 GJAB O=C(Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1)c1ccco1 9049445 LJXIEUAHJIWVDR-UHFFFAOYSA-N 385.426 4.562 0 40 GJAB O=C1N[C@@H](c2cn(Cc3ccccc3)nc2-c2cccs2)Nc2ccccc21 9471198 YNVOLWCSPQCBEW-NRFANRHFSA-N 386.480 4.514 0 40 GJAB CC(C)[C@H](NC(=O)N[C@H](c1ccccc1)C1CC1)c1ccc2c(c1)OCCO2 9936620 VEMOJOVJTWBZNL-FCHUYYIVSA-N 380.488 4.605 0 40 GJAB CSCC[C@H](NC(=O)NCC1CCCCC1)c1nc2ccccc2s1 10224547 CDBBQERMOWDDQI-INIZCTEOSA-N 377.579 4.970 0 40 GJAB Cn1ncc(Cl)c1[C@@H]1CCCCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12119560 JXXIADMAMFVWDB-CARYKQCGSA-N 375.944 4.734 0 40 GJAB Cc1cc(NC(=O)Cc2csc(-c3ccco3)n2)ccc1Br 12785284 FKQTXZXWCLWJDP-UHFFFAOYSA-N 377.263 4.655 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 12974707 SPUXZSIYYKWGDR-INIZCTEOSA-N 380.513 4.778 0 40 GJAB CN(C)C(=O)c1ccc(CNc2ncnc3sc(-c4ccccc4)cc23)cc1 14246882 RXOGQSVTCRXBJY-UHFFFAOYSA-N 388.496 4.672 0 40 GJAB CC[C@@H](CO)Nc1nc(CSc2ccccc2)nc2sc3c(c12)CCC3 14250583 OQPKFLUGHIBUKY-ZDUSSCGKSA-N 385.558 4.655 0 40 GJAB COc1ccc(-c2c(C)nn3c2N=C(c2ccco2)C[C@H]3c2cccnc2)cc1 14607643 HBUCRPHRNASKJX-FQEVSTJZSA-N 384.439 4.969 0 40 GJAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)n1 19691189 JOSHJETVGDXOBA-UHFFFAOYSA-N 388.515 4.923 0 40 GJAB O=C(Nc1ccc(Cl)cc1)OC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)O1 20031879 YKMXWUFKOMSNAF-HNNXBMFYSA-N 381.215 4.567 0 40 GJAB Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 20503212 MGUIZJVFWDSYRB-VQTJNVASSA-N 388.486 4.582 0 40 GJAB biogenic,in-vitro Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)N2CCCCCC2)cc1 27741275 GTSHYXJWGRBJLR-QHCPKHFHSA-N 394.559 4.724 0 40 GJAB COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)nc(C)c3c2N)cc1 27789187 PDKIIVFLQKZHHM-UHFFFAOYSA-N 390.468 4.510 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 39772236 QFZWYVISKMYOMZ-UHFFFAOYSA-N 387.321 4.608 0 40 GJAB O=C(Nc1ccc2[nH]ccc2c1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 40284651 KEOIZAPMGDMVKS-UHFFFAOYSA-N 394.814 4.606 0 40 GJAB CC(C)(CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(Cl)c(Cl)c1 50809764 CFXKFICUMHKSMC-UHFFFAOYSA-N 389.282 4.543 0 40 GJAB Cc1ccccc1-c1csc(NC(=O)c2cnn(C)c2-n2c(C)ccc2C)n1 60033498 DLIZDYOPNQSMET-UHFFFAOYSA-N 391.500 4.512 0 40 GJAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cc(Br)cnc1Cl 60359018 XUMBXEUJTBSBMX-LBPRGKRZSA-N 395.728 4.984 0 40 GJAB COc1cccc(Cn2c(SCc3ccccc3)nc3ccccc3c2=O)c1 67258752 JEPOOBLJOJAJKA-UHFFFAOYSA-N 388.492 4.746 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 72230031 GINISWUQUQUXBD-JOCHJYFZSA-N 381.859 4.748 0 40 GJAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 72353909 CWKZXONZSPDLRQ-QHCPKHFHSA-N 399.538 4.633 0 40 GJAB COC[C@@](C)(NC(=O)Nc1c(C)cc(Br)cc1C)c1ccccc1 79025535 WMSVJBIFSSEIRY-LJQANCHMSA-N 391.309 4.749 0 40 GJAB O=C(CNc1cc(Cl)ccc1-n1cccn1)Nc1cccc2ccccc12 84598551 UINZSXALZLGSJB-UHFFFAOYSA-N 376.847 4.730 0 40 GJAB C[C@H](OC(=O)c1ccccc1C(=O)c1cccs1)c1nc2ccccc2[nH]1 84647264 ZCFCRNYHLHMJGX-ZDUSSCGKSA-N 376.437 4.773 0 40 GJAB COC(=O)c1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 85412330 GSNTXWRFGBKUIG-SFHVURJKSA-N 399.516 4.744 0 40 GJAB O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1ccc(F)c(F)c1F)SCC(O)=N2 95472629 YSCHHXWBMIBSET-MRXNPFEDSA-N 397.422 4.523 0 40 GJAB O=C(O)c1ccc([C@@H]2SCC(O)=Nc3ncn(-c4cccc(Cl)c4)c32)cc1 95478052 WXTVLIZFSBUAMP-KRWDZBQOSA-N 399.859 4.648 0 40 GJAB C[C@H](NC(=O)CSCc1cccc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 105920776 MNFMKNHOQGCCDG-HPZZRFSDSA-N 382.367 4.623 0 40 GJAB Cc1ccc(N(C(=O)c2cnc(-c3ccccn3)s2)C2CCCCC2)nc1 108203898 WFGGFMBZVJFPNU-UHFFFAOYSA-N 378.501 4.888 0 40 GJAB Cc1nc(CNc2ccc(C(=O)NC3CC3)cc2)oc1-c1ccc(Cl)cc1 163630712 RKAKYKYNCVZSOM-UHFFFAOYSA-N 381.863 4.808 0 40 GJAB CCN(CC)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 170612455 CHKIYNDAMSPSOR-KVDVXYDOSA-N 386.586 4.935 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccccc2-c2cn3ccsc3n2)cc1 206893016 CEIWSUMQLTYAGS-DHZHZOJOSA-N 375.453 4.723 0 40 GJAB COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OC 216235233 RDZOSLUQJGKSKH-RUZDIDTESA-N 389.495 4.851 0 40 GJAB CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1ccc(Cl)cc1 216824748 YRUAJHZTLYWCMD-UHFFFAOYSA-N 380.231 4.603 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 222965891 BBOLRMRREYHALT-SFHVURJKSA-N 396.531 4.571 0 40 GJAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C(C)C 224574403 PURBENLWWIDBCH-SFTDATJTSA-N 392.528 4.650 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(CN2CCCCC2)c1 224697393 JASBDBVWMKREQH-DEOSSOPVSA-N 394.559 4.763 0 40 GJAB Cc1cccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@H]3[C@]2(O)C(F)(F)F)c1 409098880 MMYMTVGUTJAJTP-KHYOSLBOSA-N 382.426 4.520 0 40 GJAB Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4ccco4)C3)ccn2)n1 585292318 KQNXCMYOZJWCDV-JBVUFVISSA-N 388.471 4.541 0 40 GJAB Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccc(C)nc3)cs2)cc1 585294411 FAEVNBVYLYBFHE-FQEVSTJZSA-N 392.528 4.744 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1nc2ccccc2s1 606440736 XTEDFSNCBLAKJH-GFCCVEGCSA-N 386.523 4.550 0 40 GJAB Cc1nc(-c2ccccc2NC(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)cs1 653063228 OZTPEZHVFYZHOI-JXFKEZNVSA-N 394.500 4.555 0 40 GJAB C[C@H](NC(=O)N[C@H]1CCCCc2cc(Br)ccc21)c1cscn1 661639960 WVJDERCSGFQVCX-NHYWBVRUSA-N 394.338 4.734 0 40 GJAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(C3CCC(F)(F)CC3)C[C@@H]1CCO2 1534646951 XYJYLGCBHOBXJS-IRXDYDNUSA-N 392.490 4.622 0 40 GJAB CCOC(=O)c1cc(NC(=O)c2ccccc2O)ccc1Sc1ccccc1 1597477380 RLTHIJUPCLYBNI-UHFFFAOYSA-N 393.464 4.972 0 40 GJAB COc1cccc(NC(=O)NCCc2ccc(-c3cccs3)s2)c1OC 1889291090 RWRRYDYVMYOVET-UHFFFAOYSA-N 388.514 4.858 0 40 GJAB Brc1ccc(-c2nnc(-c3ccccc3)c(N3CCCCC3)n2)cc1 721130 LNDWQGFTSHCHST-UHFFFAOYSA-N 395.304 4.958 0 40 GJAB O=C(O)c1ccc2c3c(cccc13)C(=O)N(c1ccc3c4c(cccc14)CC3)C2=O 834480 RLDQKTMBWDJXEO-UHFFFAOYSA-N 393.398 4.590 0 40 GJAB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ccccc1 867611 HOQAPMWGVJHNTM-HNNXBMFYSA-N 390.468 4.647 0 40 GJAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cn4ccccc4n3)c2)c(C)c1 936126 YBRVFGQUAGBGCW-UHFFFAOYSA-N 391.496 4.727 0 40 GJAB aggregator O=C(Nc1ccc(Cl)cc1)OCc1nccn1Cc1ccc(Cl)cc1 1039381 RJARDLXMFDWVCG-UHFFFAOYSA-N 376.243 4.987 0 40 GJAB CCS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)c(Cl)c1Cl 1404557 ATPBKPNTTAAWTO-UHFFFAOYSA-N 392.691 4.693 0 40 GJAB CCOC(=O)N1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)N1C(=O)OCC 1615976 DNDWOOYOJNPXEM-PMACEKPBSA-N 380.444 4.871 0 40 GJAB biogenic Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)ccc12 2376264 QTCBVTRWONWZEW-UHFFFAOYSA-N 392.238 4.734 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)c1ccc(Br)s1 2629540 SQISMXXLYYGGSF-FPYGCLRLSA-N 385.666 4.603 0 40 GJAB O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1cccc2cccnc12 2694663 GWGXNPHHVCAUTN-UHFFFAOYSA-N 375.405 4.902 0 40 GJAB Nc1c(C(=O)c2ccc(F)cc2F)sc2nc(C(F)(F)F)c3c(c12)CCC3 2767219 VHNHBGKJCMVHOY-UHFFFAOYSA-N 398.356 4.895 0 40 GJAB COc1ccc(CNCC[C@@]2(c3ccccc3)CCO[C@@H](C(C)C)C2)cc1OC 4038289 HKZGFXRTZIEFRY-JWQCQUIFSA-N 397.559 4.957 0 40 GJAB biogenic Cc1cc(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)S3)c(C)c1 4735741 BLGQGHBTHUQYSW-UHFFFAOYSA-N 383.494 4.812 0 40 GJAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 4917590 PRDLNMKYCBOSGR-UHFFFAOYSA-N 382.529 4.814 0 40 GJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3F)c(Cl)c12 4941115 UVMZBDHZYDNUMY-UHFFFAOYSA-N 380.810 4.774 0 40 GJAB Cc1nc(SCC(=O)N[C@H]2CCCc3ccccc32)n(C2CCCC2)c1C 5090072 NCTNJXFOWFWZAS-FQEVSTJZSA-N 383.561 4.901 0 40 GJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 5136417 FXMORNQTRUBTCY-UHFFFAOYSA-N 390.405 4.893 0 40 GJAB CCN1CCN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1 5689003 ILXQNGFNXQWBMR-UHFFFAOYSA-N 391.487 4.523 0 40 GJAB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 6654744 OPLLCHRVNCZMLY-YBEGLDIGSA-N 388.470 4.774 0 40 GJAB COc1ccc([C@H](CNC(=O)Cc2ccsc2)c2c[nH]c3ccccc23)cc1 6787498 PRVVKHWGFVRSOZ-FQEVSTJZSA-N 390.508 4.729 0 40 GJAB CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 7417559 MZQNUCWIHCTPJS-UHFFFAOYSA-N 386.517 4.619 0 40 GJAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2nnc(CC(C)C)s2)cc1 7699025 LRHZHRPMUHNEGI-UHFFFAOYSA-N 386.546 4.658 0 40 GJAB CC(C)n1cnnc1S[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 7780819 PJZDASXWUIMQDP-VIFPVBQESA-N 392.834 4.651 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 7927704 MQTBQDWYTYKQHY-UHFFFAOYSA-N 390.288 4.592 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@H](C)c3nnc(-c4cccs4)o3)n2)cc1 8265883 BFIYINCYILKAHE-LLVKDONJSA-N 383.502 4.999 0 40 GJAB Cc1ccc(-c2nn(CC(=O)Nc3cccc4ccccc34)c(=S)o2)cc1 8550640 HEQQQLIICJCISD-UHFFFAOYSA-N 375.453 4.973 0 40 GJAB COc1cc(NC(=O)/C=C/c2ccccc2)ccc1NC(=O)c1cccs1 9252441 DKXZBNMPHKIATO-FMIVXFBMSA-N 378.453 4.661 0 40 GJAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCCO2 9339112 OIBJAXRVEKOAPH-MWTRTKDXSA-N 386.451 4.786 0 40 GJAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2)cc1 9374526 GJXLHXCXUBPBJO-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cc1cccc(-c2nnc(SCCc3ccccn3)n2Cc2ccco2)c1 10323185 WNFJTWJGYITZLK-UHFFFAOYSA-N 376.485 4.625 0 40 GJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NC(c1ccccc1)c1ccccc1 11636955 AEWMRKCDKPMQQP-QFIPXVFZSA-N 375.468 4.758 0 40 GJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1 11913745 SNVCTFMGOZBIOF-INIZCTEOSA-N 395.459 4.547 0 40 GJAB CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)cc1Cl)O[C@H](C)C2 12758983 OFZXOWTUGOXAAS-LLVKDONJSA-N 380.271 4.646 0 40 GJAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1cc(Cl)ccc1Cl 12920802 WNMGJPOVYQYBNN-UHFFFAOYSA-N 395.330 4.655 0 40 GJAB Cc1ccc2nc(-c3cccnc3SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)[nH]c2c1 13279887 YZTZQMGFMBTVGE-IYBDPMFKSA-N 394.544 4.530 0 40 GJAB O=C(CSc1nc(C2CCCC2)n[nH]1)Nc1ccc(SC(F)F)cc1 14805523 MLNFLSZBMDRTJY-UHFFFAOYSA-N 384.477 4.508 0 40 GJAB Cc1cccc(NC(=O)c2c(N)n(C(=O)c3ccccc3)c3ccccc23)c1C 16807292 JQWCKMHPDPHTDU-UHFFFAOYSA-N 383.451 4.781 0 40 GJAB COc1ccc2[nH]c(=O)c(CNc3cc(-c4ccccc4)ccc3OC)cc2c1 19563548 UYTDMFAAUKKNAO-UHFFFAOYSA-N 386.451 4.824 0 40 GJAB COc1cc(C)c(CN2CCCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)cc1C 19567333 YWOKYJUFDPIKRP-LJQANCHMSA-N 380.492 4.726 0 40 GJAB CSc1ccc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 19889495 FTBCZZIXMFIKNP-UHFFFAOYSA-N 376.525 4.520 0 40 GJAB COc1cc(NC(=O)c2cccc(OCC(C)C)c2)ccc1-c1ccc(CO)o1 20142112 YOWWNIURIHQQGK-UHFFFAOYSA-N 395.455 4.735 0 40 GJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCc1ccc(Cl)cc1 22245695 WNSWEACIKSQSQZ-UHFFFAOYSA-N 375.856 4.918 0 40 GJAB COc1cccc(-c2nc(C(=O)Nc3nc4ccccc4s3)cs2)c1OC 23078662 YHQFFFJKQPKNGA-UHFFFAOYSA-N 397.481 4.689 0 40 GJAB O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 25707757 SPMUKDYOHKVVDC-UHFFFAOYSA-N 398.466 4.784 0 40 GJAB Cc1c(C(=O)N2CCn3c2nc2ccccc23)oc2ccc(Br)cc12 29374205 LEIIIALWUGQCRC-UHFFFAOYSA-N 396.244 4.514 0 40 GJAB Cc1c(C(=O)NC[C@H](O)c2ccc(F)c(F)c2)oc2c1ccc1ccccc12 31302021 MJRSHTGLBGJWLM-IBGZPJMESA-N 381.378 4.636 0 40 GJAB CCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1ccccc1C 32754559 VHDJXWRZPZRYOC-UHFFFAOYSA-N 383.502 4.677 0 40 GJAB Cc1cc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)no1 34857495 RUKOQHOSZDZYOS-MBSDFSHPSA-N 389.499 4.664 0 40 GJAB O=C(Nc1nc(SCc2ccc(F)cc2)ns1)Nc1ccc(F)cc1F 35314237 YAKDFVCSPHNQOL-UHFFFAOYSA-N 396.419 4.892 0 40 GJAB Cc1ccccc1Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3)c(=O)c21 35400296 CRUXFLZARQHRPS-UHFFFAOYSA-N 397.453 4.895 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 38753131 VMPOJFYBAHFAMC-ZDUSSCGKSA-N 375.852 4.656 0 40 GJAB Cc1nccn1Cc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1 38837484 NBRIAYHJSHPLTC-UHFFFAOYSA-N 399.947 4.556 0 40 GJAB Cc1noc(C)c1CNc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C 42740646 UWDPXWWERQDNMU-CHWSQXEVSA-N 375.900 4.960 0 40 GJAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCCCC2)cc1 44086419 LZDXRGGTXURVDQ-UHFFFAOYSA-N 391.540 4.952 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1Cl 44841697 ONYQYJMNRCPTIP-CYBMUJFWSA-N 377.893 4.944 0 40 GJAB CCOc1ccc(CCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 44851487 OFFKUVOQABXPAV-HXUWFJFHSA-N 394.559 4.680 0 40 GJAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1OC(F)F 57663091 LXQGNWMORPODES-UHFFFAOYSA-N 379.366 4.879 0 40 GJAB Cc1csc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)n1 59249181 WZBYZWYKKLFCJD-UHFFFAOYSA-N 395.315 4.742 0 40 GJAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1C 67297995 DAHBRFVUPNSDSA-ATJXCDBQSA-N 391.452 4.696 0 40 GJAB O=C(c1ccncc1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349148 RNXUNCHYVZJPPE-GOSISDBHSA-N 377.875 4.817 0 40 GJAB O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1ccccc1Cl 95958217 BZEMTYUXUUQARB-UHFFFAOYSA-N 394.631 4.884 0 40 GJAB ClC1=C(Cl)[C@@]2(Cl)[C@H]3C[C@H]4O[C@@H]4C=C[C@@H]3[C@@]1(Cl)C2(Cl)Cl 104379201 ZURTYEXVEKFTMO-CWLNCONASA-N 380.913 4.792 0 40 GJAB CCOc1ccc(Br)cc1C(=O)Oc1ccc(C)cc1C(C)=O 113839138 AKVMNZVKTZEFPD-UHFFFAOYSA-N 377.234 4.578 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 136532380 NJKXEIVVYMUTQY-GJZGRUSLSA-N 396.874 4.580 0 40 GJAB Cc1cccc(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)c1 222752312 IIJCHNBIYNESMX-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)n1 223006374 XAECHBJKRRMDRM-IBGZPJMESA-N 387.527 4.918 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 223490335 LFDHXGUNLRKFJL-XMMPIXPASA-N 395.543 4.871 0 40 GJAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1 223663403 AKKWIKSIQYUSQE-UHFFFAOYSA-N 385.407 4.610 0 40 GJAB CCc1cc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC 223680483 YXHYRUYQHGXOQM-UHFFFAOYSA-N 397.496 4.637 0 40 GJAB Cc1nc(NC(=S)N[C@@H](C)c2ccccc2)c(Br)cc1Cl 223954692 CLNUTCDETVFHOT-VIFPVBQESA-N 384.730 4.854 0 40 GJAB CC[C@H]1N=C(COc2ccccc2)c2cccn2-c2cc(OC)c(OC)cc21 225377907 YIOIBMLBCDEGSK-GOSISDBHSA-N 376.456 4.827 0 40 GJAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c(C)c1C 225471150 KCTIMYFRKXYOBM-QHCPKHFHSA-N 395.524 4.688 0 40 GJAB COC(=O)c1c(NC(=O)CSCc2ccccc2Cl)sc2c1CCC2 408574939 GTVIUIRQOKNJRG-UHFFFAOYSA-N 395.933 4.549 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)Cc3ccccc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409361712 RDDPDCDZHVDHTA-JXXFODFXSA-N 396.453 4.531 0 40 GJAB O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1cc2n(n1)CCCC2 514993217 WFFPFCRJYBCLQL-UHFFFAOYSA-N 386.377 4.553 0 40 GJAB Cc1csc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)n1 585177731 AOGYYXADQSHECB-OAHLLOKOSA-N 382.485 4.789 0 40 GJAB O=C(c1ccc2c(c1)CCC=C2)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@@H]21 656422814 FCMXGHNJYQGHRD-RSYZFUPGSA-N 398.550 4.629 0 40 GJAB O=S(=O)(Nc1cccc2cccnc12)c1ccc(Cl)c(Cl)c1Cl 1260425894 ZHJNKOMBWSUSAN-UHFFFAOYSA-N 387.675 4.996 0 40 GJAB O=C(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775979060 YXUARHJLVVSDOG-IBGZPJMESA-N 385.916 4.851 0 40 GJAB COc1ccccc1[C@@H]1N(c2ccc(Cl)c(Cl)c2)C(=O)N2CCCN12 638033 SJOMDJCGZOMZQL-KRWDZBQOSA-N 378.259 4.564 0 40 GJAB CO[C@]12C=C[C@H](c3c(Cl)c(Cl)c(Cl)c(Cl)c31)C1(C2)OCCO1 651201 BYJSNFYGRMNWPX-UOWDBTKRSA-N 382.070 4.942 0 40 GJAB Cc1c(NC(=O)c2ccc(Oc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C 682914 LHXQNAYGBRRWBE-UHFFFAOYSA-N 399.450 4.529 0 40 GJAB Cc1ccc(C(=O)c2c(NC(=O)c3ccncc3)sc3c2CCCC3)cc1 976812 FDEQVSMQTOESII-UHFFFAOYSA-N 376.481 4.814 0 40 GJAB Cc1ccc(-n2nnnc2-c2cnc(-c3ccccc3)nc2-c2ccccc2)cc1 1038993 GWESWBYFEHLHCA-UHFFFAOYSA-N 390.450 4.762 0 40 GJAB CCN(CC)C(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 1381371 BJPBLRBCJICHMO-UHFFFAOYSA-N 387.936 4.699 0 40 GJAB CCCCOC(=O)COc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 1770177 DVVNOVXXIOGNEX-UHFFFAOYSA-N 396.439 4.924 0 40 GJAB COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1CCCC2 1773762 VAKKOEKIHPKVBA-UHFFFAOYSA-N 387.501 4.520 0 40 GJAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccs1 2263584 IOYBTWPDFQKGTG-UHFFFAOYSA-N 394.525 4.911 0 40 GJAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3c(F)cccc3Cl)NC(=O)CCN21 2338765 LAOHKVKGJQBJDZ-CRWWQRIJSA-N 384.882 4.815 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1 2621126 BVURZOKIEDPHBH-UHFFFAOYSA-N 387.233 4.714 0 40 GJAB Cc1ccc2c(CSc3nnc(Nc4ccccc4)s3)cc(=O)oc2c1 3532151 AWWGRAHRBVNBGT-UHFFFAOYSA-N 381.482 4.989 0 40 GJAB COc1ccccc1-c1csc(NC(=O)c2ccc(Br)cc2)n1 4031467 HFKKWTSRLJAXBX-UHFFFAOYSA-N 389.274 4.834 0 40 GJAB COc1ccc(CNCC[C@]2(c3ccccc3OC)CCO[C@H](C(C)C)C2)cc1 4073325 ZARVEZQRYMEMMI-DQEYMECFSA-N 397.559 4.957 0 40 GJAB biogenic CCCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 4079403 HZYBMJBNSHNEEQ-UHFFFAOYSA-N 394.909 4.909 0 40 GJAB O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1Cl 4174065 DJYRUYIICHGFMQ-NRFANRHFSA-N 396.899 4.880 0 40 GJAB CC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 4816848 MYUFUSQOGBNFNF-ZWKOTPCHSA-N 387.270 4.672 0 40 GJAB CCCCn1c(SCC(=O)c2ccc(OCC)cc2)nnc1-c1ccco1 4861142 HYJGPLMPPJSMPV-UHFFFAOYSA-N 385.489 4.712 0 40 GJAB COc1ccc2[nH]c(C)c(CCNC(=S)Nc3cccc(Cl)c3C)c2c1 5033925 UDODANZMZYLRAZ-UHFFFAOYSA-N 387.936 4.976 0 40 GJAB Cc1ccc(N2C[C@H](NC(=O)N(Cc3ccccc3)c3ccccc3)CC2=O)cc1 5123485 DYMCWIUYKMLRJV-OAQYLSRUSA-N 399.494 4.517 0 40 GJAB CC(=O)Nc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)cc1 5187165 YBOZXCCDYWBYLK-QGZVFWFLSA-N 381.284 4.730 0 40 GJAB CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 5309439 DLFOCXFZLQDRQL-UHFFFAOYSA-N 375.856 4.733 0 40 GJAB CCc1ccc(-c2nc(C)c(C(=O)Nc3cc(OC)cc(OC)c3)s2)cc1 5404489 GZHJKCSSYLBTEW-UHFFFAOYSA-N 382.485 4.950 0 40 GJAB O=C(COC(=O)c1ccc2ccccc2c1)NC(c1ccccc1)c1ccccc1 5462135 PRDGSNQKJMQRGM-UHFFFAOYSA-N 395.458 4.902 0 40 GJAB CC(=O)c1sc(NC(=O)COc2c(C)cccc2C)nc1-c1ccccc1 6235241 BOCPIDOLUANANQ-UHFFFAOYSA-N 380.469 4.647 0 40 GJAB Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 6669385 AYDZBFXMHDJHLD-UHFFFAOYSA-N 377.835 4.658 0 40 GJAB Cc1c(Cl)cccc1-n1c(-c2ccccc2)cnc1S[C@H]1CCOC1=O 6972811 PHCYVWQFVPVQDV-SFHVURJKSA-N 384.888 4.909 0 40 GJAB CC(=O)NCc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 7275228 NQALMRIMBWWZRJ-UHFFFAOYSA-N 379.510 4.647 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 7988679 MNMDQCSMBTUSPY-CQSZACIVSA-N 380.469 4.500 0 40 GJAB COc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)cc(Cl)c1O 8109269 PQPYSXJSAQZDQX-UHFFFAOYSA-N 375.921 4.684 0 40 GJAB CCn1c(S[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)nc2ccccc21 8132702 KPOXBHOOESFHSK-DLBZAZTESA-N 381.545 4.674 0 40 GJAB CC[C@H](C)Nc1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1 9622852 GPLBZDGUOXJBOI-AWEZNQCLSA-N 376.439 4.909 0 40 GJAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(Cn2cccn2)cc1 10427484 SSXKYPWTWZLOST-UHFFFAOYSA-N 393.450 4.523 0 40 GJAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccccc1C(F)(F)F 10648261 XSGDLMCIJRKXCF-UHFFFAOYSA-N 391.267 4.520 0 40 GJAB C[C@@H](CN1CCC([C@@H](NC(=O)C(C)(C)C)c2nccs2)CC1)c1ccccc1 12365684 LKEJPSTYVQFSDD-FXAWDEMLSA-N 399.604 4.862 0 40 GJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 20047668 YFOHXHADQFMYLW-VXKWHMMOSA-N 385.504 4.765 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1OCC 20106919 RYHQIINZEBRWKB-QZTJIDSGSA-N 385.504 4.746 0 40 GJAB O=C(N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1)c1cccs1 20509700 GLKKCIGYZMIYFQ-QGZVFWFLSA-N 395.871 4.971 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)N[C@H](c3ccc(F)cc3)C(C)C)n2)cc1 21631124 QRWDODDZFJTEBZ-NRFANRHFSA-N 381.451 4.630 0 40 GJAB COc1ccc(S[C@H](C)C(=O)NCCSCc2cccc(C)c2)cc1 22535197 SCASFHDEANLELE-MRXNPFEDSA-N 375.559 4.534 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1 23313436 CHYFRMQADSCLEL-QFIPXVFZSA-N 377.484 4.511 0 40 GJAB O=C1c2cccc3cccc(c23)N1C[C@H](O)COc1ccc(-c2ccccc2)cc1 24843815 IUQOPZJPRAZNGE-NRFANRHFSA-N 395.458 4.907 0 40 GJAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)OCCCO4)o2)cc1 24860209 LCRSTJAZGIJHFQ-UHFFFAOYSA-N 379.412 4.581 0 40 GJAB Cc1ccc2c(c1)ncn2C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 35315873 QSRIVOPKAHPUAC-UHFFFAOYSA-N 392.547 4.660 0 40 GJAB CC1CCN(Cc2csc(NC(=O)CCc3ccc(Cl)cc3)n2)CC1 36652271 WEUAJKOSXRCXNX-UHFFFAOYSA-N 377.941 4.600 0 40 GJAB CCn1c(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)cc2sccc21 40786552 VQIAYTWHVQOZLY-UHFFFAOYSA-N 378.501 4.837 0 40 GJAB COc1ccc(S[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 44840035 LXYZVGIBZDVEKO-QGZVFWFLSA-N 399.556 4.666 0 40 GJAB O=C(NCCOc1cccc(Cl)c1)c1ccc(C2SCCS2)cc1 60585692 HMUIZDBEKGKVKL-UHFFFAOYSA-N 379.934 4.627 0 40 GJAB Cc1cc(C(=O)N(CC(F)F)CC2CCC2)cc(C)c1OCc1cccnc1 95445441 IAHRXIXYWNEELR-UHFFFAOYSA-N 388.458 4.785 0 40 GJAB OC1=Nc2c(cnn2Cc2ccccc2Cl)[C@H](c2cccc(O)c2)SC1 95472171 DNRXBBZVJCOBRL-SFHVURJKSA-N 385.876 4.715 0 40 GJAB CC(=O)c1ccc2nc(NC(=O)c3cnc(-c4ccccc4)s3)sc2c1 97105637 DASBWXKINSFSCQ-UHFFFAOYSA-N 379.466 4.875 0 40 GJAB O=C(NC[C@H]1CCCN(c2nccs2)C1)c1ccc(-c2cccs2)cc1 206833731 ZFJOLIKZNBKBDZ-OAHLLOKOSA-N 383.542 4.518 0 40 GJAB CCOC(=O)c1cc(Br)c(OCc2ccccc2)c(OCC)c1 216831295 QSZMEEBVNZSLRE-UHFFFAOYSA-N 379.250 4.604 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN(C)c1ccccc1 219391735 MMILFLKYMDPSDB-LJQANCHMSA-N 376.953 4.853 0 40 GJAB CCOc1cc(C)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OCC 222565245 SYEHOGWYUVUIQA-IWMITWMQSA-N 397.544 4.777 0 40 GJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccccc1 223318281 HIWJIPQWEBIVII-YVUGPFRESA-N 388.467 4.626 0 40 GJAB Cc1ccc(C)c(OCCNC(=O)c2ccccc2OCc2ccccc2)c1 224016936 UWGBACALMQBPPO-UHFFFAOYSA-N 375.468 4.691 0 40 GJAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1OC 224242124 OYZDWDXEJGDMSY-UHFFFAOYSA-N 399.393 4.813 0 40 GJAB Cc1ccc(CC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c(C)c1 225160288 UWWVFDDIAQPMLQ-UHFFFAOYSA-N 377.459 4.880 0 40 GJAB Cc1ccc(CCCNC(=S)Nc2ccc(Br)c(C)c2)cc1 225387658 OFAPJIOGBQIKNJ-UHFFFAOYSA-N 377.351 4.985 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)c1 225707186 OZGIWFFWAGEXCX-CYBMUJFWSA-N 376.909 4.791 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 243365353 MCSXVUPUTPGFTO-UHFFFAOYSA-N 392.886 4.535 0 40 GJAB CC[C@H](C)N1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O 409013361 NCXVLNISWFTIKM-SYFUPATCSA-N 390.686 4.643 0 40 GJAB CCCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(Cc2ccccc2)n1 585265804 RTARGMPNRPNILM-UHFFFAOYSA-N 377.440 4.835 0 40 GJAB Cc1cc(F)ccc1CC(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615117828 CKLDVYGFSKKOJJ-XMMPIXPASA-N 398.497 4.866 0 40 GJAB CCOC(=O)C1=C(N[C@H](C)c2ccccc2)CC[C@@H](C(=O)OC(C)(C)C)CC1 1857793343 WRNYVZALLUVTHF-AEFFLSMTSA-N 387.520 4.686 0 40 GJAB CCOC(=O)c1csc(-c2cc(Br)cc(Br)c2)n1 1046450 OFWMLVYVJATYNS-UHFFFAOYSA-N 391.084 4.512 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 1262471 YUZUUYTYBNXJGQ-AWNIVKPZSA-N 378.453 4.661 0 40 GJAB Cc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccccc1Cl 1379016 XSQMVRNTEIXQHY-UHFFFAOYSA-N 389.839 4.749 0 40 GJAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccn2)c2ccccc2)cc1Cl 3280655 SFVGBEGXGQVFJZ-IBGZPJMESA-N 380.831 4.580 0 40 GJAB COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cccc(Cl)c1C 3337935 LCHXRDDLQOHAMS-UHFFFAOYSA-N 383.831 4.606 0 40 GJAB Cc1nc2sc(C(=O)Oc3ccc4oc5ccccc5c4c3)c(C)c2c(=O)[nH]1 3458309 OZGIOKHJSWRXRZ-UHFFFAOYSA-N 390.420 4.720 0 40 GJAB Cc1cc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)no1 3581630 MIIKVUYNCBPAJU-UHFFFAOYSA-N 395.459 4.856 0 40 GJAB Cc1c(CC(=O)NC2CC2)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 4090075 CWMMQQRNWPRENC-UHFFFAOYSA-N 387.435 4.644 0 40 GJAB biogenic O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc2c(c1)OCCO2 4264251 NWSDDJIBIQTSGD-UHFFFAOYSA-N 381.240 4.627 0 40 GJAB Cc1nc2ccccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F 4303500 FXUWNCOGGQGPBS-UHFFFAOYSA-N 377.391 4.688 0 40 GJAB Cc1ccccc1Cn1c([C@H](C)NC(=O)c2cccs2)nc2ccccc21 5235259 MOFIARYTCYNXOW-INIZCTEOSA-N 375.497 4.946 0 40 GJAB COc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c(OC)c1 5460737 CVILJLIVMFLEIG-UHFFFAOYSA-N 386.300 4.883 0 40 GJAB Clc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 6532458 ANRJOTLCVPYTJS-UHFFFAOYSA-N 382.876 4.927 0 40 GJAB CC(=O)Nc1cccc(OC(=O)c2cccc3c(Br)cccc23)c1 6692651 HQKJQUZCZCRANS-UHFFFAOYSA-N 384.229 4.780 0 40 GJAB CC[C@H](Oc1ccccc1)C(=O)N(CC)Cc1nc(-c2ccc(Cl)cc2)no1 6760248 RFODYRWHUOVMPB-SFHVURJKSA-N 399.878 4.596 0 40 GJAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1cccc(C(F)(F)F)c1 6786769 YFAVFMVEQSEKIZ-NSHDSACASA-N 383.391 4.596 0 40 GJAB COc1cc(/C=C/C(=O)Nc2cccc(Br)c2)cc(Cl)c1OC 7609568 GLHOTIKOZLXPLO-VOTSOKGWSA-N 396.668 4.772 0 40 GJAB CCc1cccc(CC)c1NC(=O)CNc1cc(Cl)c(OC)cc1OC 7846781 JOFXJBKMLZUTLM-UHFFFAOYSA-N 376.884 4.533 0 40 GJAB COc1ccc(C)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 8075764 PBYYJYPVECDSIX-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1ccc(Cl)cc1 8742568 UYHXXHZRLHLONV-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB Cc1ccc(Cl)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1Cl 9256597 YDNGDRSOXPVPEB-UHFFFAOYSA-N 392.238 4.734 0 40 GJAB Cc1cc(C)cc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc3c(c2)OCO3)c1 9547784 CHEPBOUOCOHTQI-QGZVFWFLSA-N 375.428 4.650 0 40 GJAB COc1cc(OC)c2c(-c3ccccc3)cc(S[C@H]3C[C@H](C)OC3=O)nc2c1 9592175 VJDRPPGDORGJLR-DJJJIMSYSA-N 395.480 4.715 0 40 GJAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)N[C@@H](c1ccccc1)c1cccs1 10490591 CHLAUTJMAWCLDG-FQEVSTJZSA-N 399.899 4.621 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2nc3ccccc3o2)CC1 11914660 PYNHZVONYGRRDQ-GOSISDBHSA-N 382.435 4.531 0 40 GJAB CC(C)c1cc(C(=O)NCCc2ccccc2)nn1-c1nc2ccccc2s1 12223585 XMWKSNRWUHACFF-UHFFFAOYSA-N 390.512 4.578 0 40 GJAB CCCCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21 12420115 WUVCSHIBIOFFAT-RUZDIDTESA-N 397.478 4.759 0 40 GJAB O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)N1CCCCCC1 12616322 WSIYZZOUQKVJKP-UHFFFAOYSA-N 398.576 4.810 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)c2ccc(OC(F)F)c(OCC)c2)c1 12767519 VPOHAYUKFTYJJK-UHFFFAOYSA-N 395.402 4.736 0 40 GJAB NC(=O)c1cc(SCc2cc(-c3ccc(Cl)cc3)no2)nc2ccccc12 12774207 ILEMSWSJWOWAEF-UHFFFAOYSA-N 395.871 4.934 0 40 GJAB CC(C)OCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12913535 IITJGBFEFDNPMR-UHFFFAOYSA-N 382.435 4.693 0 40 GJAB COc1ccc2nc(NC(=O)CSCc3cccc(Cl)c3)sc2c1 14077720 JLKYMQPPNASSSM-UHFFFAOYSA-N 378.906 4.830 0 40 GJAB COC(=O)CSc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 15166126 OOXMVCGZFSBSSQ-UHFFFAOYSA-N 393.493 4.685 0 40 GJAB COc1ccccc1CNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 19931774 LXWRKIMWEKCFGR-UHFFFAOYSA-N 386.495 4.578 0 40 GJAB Cc1cc2nc(-c3ccc(NC(N)=S)cc3)oc2c(Br)c1C 20156893 WPAJXCXLLZEIID-UHFFFAOYSA-N 376.279 4.530 0 40 GJAB CCc1ccccc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 21297449 JRUIBQKPWKUATJ-UHFFFAOYSA-N 377.410 4.518 0 40 GJAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4O)nc32)cc1C 21801763 NWUOOYUEJJRIMS-UHFFFAOYSA-N 383.455 4.674 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc4c(c3)CCC4)n2)c1 24784413 KUHMQOUJUJFMGE-UHFFFAOYSA-N 380.469 4.568 0 40 GJAB CN(Cc1ccsc1)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 26090219 LNIHEYMXCSZJTK-UHFFFAOYSA-N 399.825 4.878 0 40 GJAB CC(C)CN(Cn1nc(-c2cccnc2)n(Cc2ccccc2)c1=S)C1CC1 26625599 PCBCNEZLMWCQHP-UHFFFAOYSA-N 393.560 4.602 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1SC[C@H]1CCCO1 27765413 LQXYLYRPHNWLHX-MRXNPFEDSA-N 395.446 4.907 0 40 GJAB CC[C@@H]1CSc2n1c(-c1ccc3c(c1)OCCO3)c[n+]2-c1ccc(Cl)cc1 27788805 PAGYQGBQMZWJIN-MRXNPFEDSA-N 399.923 4.913 0 40 GJAB O=C(NCc1ccc(F)cc1)c1ccc(COc2ccc(F)cc2Cl)o1 28237002 LMNFQZWJQAEFGW-UHFFFAOYSA-N 377.774 4.720 0 40 GJAB CCc1cccc2c1N(C(=O)CCc1ncc(-c3c(F)cccc3F)o1)CC2 58145852 YIFBLBLOJDTTNN-UHFFFAOYSA-N 382.410 4.704 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1 58438981 ULCYXSYAEGWPEO-QZTJIDSGSA-N 391.487 4.612 0 40 GJAB Cc1sc2nc([C@H](C)Nc3ccc(N(C)C(C)C)c(F)c3)[nH]c(=O)c2c1C 59932753 PDKWPIQNRAAARX-LBPRGKRZSA-N 388.512 4.758 0 40 GJAB CCc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)cc1 64471695 LYBRFNRNTVGMRZ-UHFFFAOYSA-N 395.503 4.869 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(NC3CCCC3)nc2)cc1 72213996 DGERPXGFXKQWIZ-OAQYLSRUSA-N 399.560 4.660 0 40 GJAB CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72214474 WMDDDBNJVCQRPP-IBGZPJMESA-N 395.503 4.820 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72348674 RRCMSNLDOKLDKV-LJQANCHMSA-N 392.449 4.970 0 40 GJAB Cc1cccc(CN2CCC(c3cccc(Nc4nnc(C)s4)n3)CC2)c1 72376156 HVRZUVFOUUQFJP-UHFFFAOYSA-N 379.533 4.673 0 40 GJAB Cc1nc(CNC(=O)Nc2ccc(F)c(F)c2)oc1-c1ccc(Cl)cc1 79073039 SYXJXOXCOPUHNF-UHFFFAOYSA-N 377.778 4.903 0 40 GJAB O[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F 84501681 GQFURUQEZIOQRN-LBPRGKRZSA-N 384.707 4.918 0 40 GJAB CC(C)c1sc(Cl)nc1C(=O)NCc1nc2ccccc2n1C(C)C 95480293 AGMOJWDYWJRHLH-UHFFFAOYSA-N 376.913 4.781 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 216354252 YCAZULPXDZZLCO-QFIPXVFZSA-N 390.483 4.776 0 40 GJAB O=C(c1ccc(F)c(F)c1F)N1CCS[C@H](c2cc(F)ccc2F)CC1 219329422 GQMPJTBAMSDJJM-HNNXBMFYSA-N 387.373 4.703 0 40 GJAB Cc1ccc(CCCNC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219467399 AMFQYXKJERZWMD-UHFFFAOYSA-N 386.495 4.638 0 40 GJAB CSc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)cc1 223650262 YREUWPBVWVMQNU-UHFFFAOYSA-N 399.537 4.831 0 40 GJAB O=C(Nc1cccc(Br)c1)c1cnn(-c2ccc(Cl)cc2)c1 224056029 PKQUTHQXDBDTNI-UHFFFAOYSA-N 376.641 4.541 0 40 GJAB CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(SC)cc1 224991569 GKDVXQBTBBOOCJ-UHFFFAOYSA-N 376.330 4.931 0 40 GJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225826545 YSIHXYGOIIWSDU-NRFANRHFSA-N 379.497 4.574 0 40 GJAB CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 260843434 RUIBWTRAOHIMJI-RBBKRZOGSA-N 398.522 4.622 0 40 GJAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)cc1 408562344 OZRQXYJTPYJLDK-XDOYNYLZSA-N 386.904 4.948 0 40 GJAB O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1ccc(F)cc1F 408712945 CMWNBZRHRXOKPL-UHFFFAOYSA-N 386.423 4.668 0 40 GJAB CC(C)NC(=O)Nc1ccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)cc1 502073924 XPJKBORZZXPMIP-UHFFFAOYSA-N 395.478 4.828 0 40 GJAB COc1ccc(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c(OC)c1 1615131984 VKDTYNHLKIQBSZ-GCJKJVERSA-N 398.522 4.722 0 40 GJAB COc1ccc(Nc2nnc(-c3cc4cc(Cl)ccc4oc3=O)s2)cc1 856274 NICUMIFUONNLFT-UHFFFAOYSA-N 385.832 4.717 0 40 GJAB CC(=O)c1ccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)cc1 976952 NGIUCLHZSJOQTE-UHFFFAOYSA-N 375.453 4.795 0 40 GJAB CCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 987730 QDZYLDMYPSXBPD-UHFFFAOYSA-N 379.229 4.579 0 40 GJAB O=C(CSc1nnc(-c2cccs2)o1)c1ccc(Br)cc1 1034734 IZJFDUOQUIZNMK-UHFFFAOYSA-N 381.276 4.536 0 40 GJAB Cc1ccc2cc3c(N)c(C(=O)Nc4nc(C)c(C)s4)sc3nc2c1C 1342913 JJTDPXPGIJXCHC-UHFFFAOYSA-N 382.514 4.974 0 40 GJAB C[C@@H](O)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 1447604 IZPSLLVYTVDJFL-CQSZACIVSA-N 378.863 4.534 0 40 GJAB CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 2111129 XTDFZWAMNOPUHV-KVACCUTFSA-N 390.527 4.893 0 40 GJAB biogenic CC(C)[C@@H]1Cc2c(sc3nc(SCCc4ccccc4)nc(N)c23)CO1 2214889 QZPHVBBBESDDBI-HNNXBMFYSA-N 385.558 4.706 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(Cc1ccco1)C3=O 2417541 DGTOKPKTMQLTRU-FQEVSTJZSA-N 389.382 4.579 0 40 GJAB C[C@@H](OC(=O)c1ccccc1Nc1ccccc1)C(=O)NCCC1=CCCCC1 2636586 BISUOVAGZHKILX-GOSISDBHSA-N 392.499 4.982 0 40 GJAB FC(F)(F)c1cc(-c2ccco2)nc2c(-c3nnc(-c4ccccc4)o3)cnn12 2786177 XPBUKHIITKPGCD-UHFFFAOYSA-N 397.316 4.725 0 40 GJAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)c1ccc(OC(F)F)cc1 3240177 FWCGBARTXFHJER-UHFFFAOYSA-N 392.373 4.665 0 40 GJAB COc1ccc(C(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc1 4042813 QZWRYHRTEGNLIU-UHFFFAOYSA-N 386.403 4.996 0 40 GJAB biogenic Cc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCC3)cc1 4538383 QSSYIYGFNKPASN-UHFFFAOYSA-N 390.508 4.979 0 40 GJAB O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccccc1Cl 4838611 FSBORSLDHGVJRM-UHFFFAOYSA-N 383.238 4.980 0 40 GJAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)[C@@H]1C 4863719 VJYHHKMHISXAIU-GPMSIDNRSA-N 391.939 4.636 0 40 GJAB Cc1ccc(C(SC[C@@H](N)C(=O)O)(c2ccccc2)c2ccc(C)cc2)cc1 5049234 MSPIKMKQZSFDCR-JOCHJYFZSA-N 391.536 4.740 0 40 GJAB Cc1ccc(Nc2nc(CSc3nnc(-c4ccco4)n3C)cs2)cc1 5363993 WTMLMOIJYGNKTP-UHFFFAOYSA-N 383.502 4.876 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(N2CCCCC2=O)c1 5441687 ZOMCNZUQBNKLQB-UHFFFAOYSA-N 393.270 4.528 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(C)cc1)c1ccccc1 5455983 RUEQGKGHZMNKRA-JOCHJYFZSA-N 389.451 4.931 0 40 GJAB COCCC1=NN(c2c(Cl)cc(Cl)cc2Cl)[C@](O)(C(F)(F)F)C1 5525331 SPJQBIRTWJCYBD-GFCCVEGCSA-N 391.604 4.500 0 40 GJAB CCN(C(=O)c1ccc(OC)c(OC)c1)c1nc(-c2ccc(C)cc2)cs1 6826547 XUFJSKKGDGAQGB-UHFFFAOYSA-N 382.485 4.802 0 40 GJAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1Cl 6942539 ANLCYAIUQPPKAU-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB CCOc1cc(Br)c(CC(=O)NC2CCCCCC2)cc1OCC 7016393 VRZWJJUZUGBMFI-UHFFFAOYSA-N 398.341 4.628 0 40 GJAB Cc1ccc(CN(C)Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c(C)c1 7674418 KMMRXNLTADUPJW-UHFFFAOYSA-N 389.524 4.900 0 40 GJAB COc1cccc(-c2nnc(SCc3cc(C)on3)n2-c2ccc(C)cc2)c1 8131244 GFWOOUFWMZPRQU-UHFFFAOYSA-N 392.484 4.840 0 40 GJAB CCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccccc2c1=O 8195320 OJTLMUKRAOVDME-UHFFFAOYSA-N 395.528 4.661 0 40 GJAB CC(=O)NCc1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1 8209501 MVNRUCMDEPXBHA-UHFFFAOYSA-N 387.302 4.876 0 40 GJAB FC(F)(F)c1cccc(-n2nnnc2COc2ccc(Cl)cc2Cl)c1 9304429 HFKNYCOOVLYOTD-UHFFFAOYSA-N 389.164 4.567 0 40 GJAB O=C(COc1ccc2ccccc2c1)Nc1nnc(-c2ccc(F)cc2)s1 9391011 KTYWHVATQQZQNW-UHFFFAOYSA-N 379.416 4.515 0 40 GJAB Cc1ccc(C)c(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1 10499958 GTEZTJYOHZLFCP-UHFFFAOYSA-N 393.512 4.516 0 40 GJAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1OCC 10543990 ZFRHRMUBQPCQER-MRXNPFEDSA-N 399.512 4.677 0 40 GJAB C[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)N(c1nccs1)C1CCCCC1 10744956 ZTSQHVRFLZJYPX-CQSZACIVSA-N 397.500 4.536 0 40 GJAB Cc1cc(/C=C/C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c(C)n1Cc1ccco1 12559504 BYJTYKVRSNUQOV-OFAQMXQXSA-N 388.471 4.513 0 40 GJAB Cc1c(Cl)cccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12915058 XRGRQMVWLMDOLI-ZHACJKMWSA-N 382.891 4.539 0 40 GJAB CCOc1ccccc1-n1c(S)nnc1COc1cccc2ccccc12 13535096 KSOJKXZXKWFRLT-UHFFFAOYSA-N 377.469 4.687 0 40 GJAB Cc1nc(Sc2nnc3ccccn23)c2c(-c3cccs3)csc2n1 15131099 FIWRSUDIFGVRNA-UHFFFAOYSA-N 381.511 4.922 0 40 GJAB CCOP(=O)(OCC)c1nc(-c2cccs2)oc1NCc1ccccc1 16806540 AONUMXUFMFEKDT-UHFFFAOYSA-N 392.417 4.907 0 40 GJAB Cc1cccc(-n2nc3c(c2NC(=O)/C=C\c2ccccc2)CSC3)c1C 17135700 PNOQLUBBYLPVKR-QXMHVHEDSA-N 375.497 4.888 0 40 GJAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCCN(C[C@H]2CC=CCC2)C1 19400463 ANZNQKFCIDZDIG-WRALFONMSA-N 395.591 4.888 0 40 GJAB CCOc1ccccc1C(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1C 19520082 JYJIXPMBCYBVFP-FQEVSTJZSA-N 390.487 4.546 0 40 GJAB CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1cccc(C)c1 19927602 IGNRYGLBMRVOBB-UHFFFAOYSA-N 377.473 4.616 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)c(Cl)c1 20044031 JGCUADIDJHCVHC-UHFFFAOYSA-N 381.856 4.528 0 40 GJAB c1ccc(CN2CCc3c(sc4ncn5nc(-c6ccccc6)nc5c34)C2)cc1 20548821 VCJGOJBMRXKXAU-UHFFFAOYSA-N 397.507 4.564 0 40 GJAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(SCc2ccccc2)s1 21953681 YCSMYYBCIFNSPH-INIZCTEOSA-N 385.514 4.627 0 40 GJAB COc1cc(Br)c(CN[C@H](C)c2ccc(F)cc2F)cc1OC 22787060 VMCYJYPRBJFYFX-SNVBAGLBSA-N 386.236 4.595 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1nn(Cc2ccccc2F)cc1Cl 32610591 VWMHXZTYLLTWQO-UHFFFAOYSA-N 378.234 4.559 0 40 GJAB CCN(CC)Cc1ccc(C(=O)N[C@@H](C)c2ccccc2Br)cc1 32833359 CGCJXKSWAQBMDN-HNNXBMFYSA-N 389.337 4.782 0 40 GJAB COc1ccccc1NC(=O)CSc1nc(C(C)(C)C)nc2ccccc12 35312162 KYNMBRAMVBEQIA-UHFFFAOYSA-N 381.501 4.667 0 40 GJAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2cccc(Cl)c2)cc1 35684389 BLXOWIYZTCOQJQ-KRWDZBQOSA-N 394.862 4.992 0 40 GJAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 44017971 DRYZFZVTXYFFCQ-MRXNPFEDSA-N 390.365 4.831 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cn2ccnc2C)cc1 44855433 OIWSBYXLULTMLB-NRFANRHFSA-N 389.499 4.580 0 40 GJAB Cc1cc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c2cnn(C(C)C)c2n1 48263744 RDHOUPSVWCKEOM-QFIPXVFZSA-N 399.498 4.577 0 40 GJAB O=C(CCCn1cccn1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 57994091 AHMQMCUYNZEBBA-UHFFFAOYSA-N 381.288 4.732 0 40 GJAB COc1cccc(CC(=O)N[C@@H]2CCCc3nc(-c4ccccc4)sc32)c1 58098198 RAODACWLRYRVKY-GOSISDBHSA-N 378.497 4.555 0 40 GJAB COc1ccc(CCN2CCC[C@H](c3cccc(Nc4ccccn4)n3)C2)cc1 72375987 ZVGBGKRMSOVTID-FQEVSTJZSA-N 388.515 4.651 0 40 GJAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 72379079 MZYSYGWIESMKIX-LJQANCHMSA-N 378.495 4.909 0 40 GJAB CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cnc(-c2ccccc2)nc1 84755277 NTFXDXKHJFLISD-HXUWFJFHSA-N 378.863 4.774 0 40 GJAB COc1cc(CO)c(Br)cc1OCc1c(Cl)cccc1Cl 95095079 HYVXYMNPMZJZSI-UHFFFAOYSA-N 392.076 4.836 0 40 GJAB CC[C@H]1Oc2cc([C@@H](C)NCc3cc(C)nc4ccccc34)ccc2NC1=O 95985467 QOTPIJQPFQNXHL-QVKFZJNVSA-N 375.472 4.504 0 40 GJAB Cc1ccc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)o1 96038199 KJSKPJKUZQPZOO-UHFFFAOYSA-N 390.462 4.816 0 40 GJAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1nnc(SCc2ccc(F)cc2)s1 103026965 SCDCOEAKIUPIBQ-MCIONIFRSA-N 377.510 4.734 0 40 GJAB CCCOc1ccc(/C=C/C(=O)Nc2cc(OC)ccc2OC)cc1OCC 104725657 WXLPJYKGFQNUMQ-XYOKQWHBSA-N 385.460 4.543 0 40 GJAB CN(Cc1cc(-c2ccccc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108339407 XCECVQGRQPERES-UXHICEINSA-N 389.282 4.739 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 136532305 SFBVRZJAXAOVQZ-IRXDYDNUSA-N 396.874 4.580 0 40 GJAB CN[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H](NC)c1ccc(C(F)(F)F)cc1 196483686 QQPBPDDAIKYJNS-HOTGVXAUSA-N 376.344 4.945 0 40 GJAB CCc1cccc(C)c1NC(=O)COc1cc(C)c(Br)c(C)c1 218836303 AQDQGSVFERGCMS-UHFFFAOYSA-N 376.294 4.954 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219356024 VTMCXHMLABMKSF-JOCHJYFZSA-N 389.451 4.722 0 40 GJAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCS[C@H](c2ccco2)CC1 219369822 LGYKQWQBTWGQSQ-NRFANRHFSA-N 391.492 4.831 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219378188 QSBVOPSWRRPWCP-PMACEKPBSA-N 397.515 4.888 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCCc1ccccc1Cl 219681218 WNTRPNOZVLGRCO-CYBMUJFWSA-N 396.712 4.619 0 40 GJAB Cc1ccc(-c2noc(CN(C)C(=O)C3(c4ccccc4)CCCC3)n2)cc1 222541831 QCKCOUZEPCUKJP-UHFFFAOYSA-N 375.472 4.515 0 40 GJAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 223843713 IIOUOASNGBAFPZ-SJORKVTESA-N 387.917 4.679 0 40 GJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)c1 224518567 SIEYPLRKNXRNEE-MSOLQXFVSA-N 381.526 4.637 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCCC1 224902888 KWCCQQUSQBPKPE-CYBMUJFWSA-N 385.335 4.569 0 40 GJAB CCOc1ccccc1CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 224989713 CMAAUDQRLJZCMD-UHFFFAOYSA-N 375.896 4.645 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)ccc21 225102899 NOOHDAKSPJKDRF-CQSZACIVSA-N 392.480 4.642 0 40 GJAB CN(C(=O)c1ccc(-c2ccccc2F)s1)c1ccc(Br)nc1 225424900 ZZXCELZLDDTLAT-UHFFFAOYSA-N 391.265 4.988 0 40 GJAB CCOc1cc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)ccc1OC 225770762 IYVPFNVVEPFCFG-UHFFFAOYSA-N 384.423 4.599 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccccc2)cc1C 408694723 MCIPVFJQFQVCSH-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1ccc(OCCCC(=O)NCCSCc2ccccc2Cl)cc1 408703165 OBJCMXLEDDJMPV-UHFFFAOYSA-N 377.937 4.857 0 40 GJAB COc1cccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@@H]4C)c1 575473066 CCIACLPIRNOEKC-AWEZNQCLSA-N 391.467 4.755 0 40 GJAB O=C(COc1ccccc1Cl)Nc1ccccc1-c1cn2c(n1)CCCC2 575621590 ZCRAEKCCEMLZKE-UHFFFAOYSA-N 381.863 4.557 0 40 GJAB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 725024 IQSRELXCMBCXED-UHFFFAOYSA-N 385.511 4.748 0 40 GJAB CCc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccccc2C)cc1 937226 SRUVUGFYRHUJGK-UHFFFAOYSA-N 388.467 4.827 0 40 GJAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)Nc1cccc(C(F)(F)F)c1)CC2 1037998 JVFHOAITDFPJNK-LBPRGKRZSA-N 394.393 4.874 0 40 GJAB biogenic Fc1ccc(-c2cc3nc(-c4ccccc4)cc(NC[C@@H]4CCCO4)n3n2)cc1 1341250 LASUDFMSQRMUBH-IBGZPJMESA-N 388.446 4.793 0 40 GJAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)c(C)c1 1346887 KRMXIHFBEVBWCR-SFHVURJKSA-N 385.895 4.900 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1C 1364558 NXQFFCFJIMKFSR-UHFFFAOYSA-N 392.528 4.551 0 40 GJAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1ccccc1 1944012 VLVRFDSEPGHYEH-UHFFFAOYSA-N 395.480 4.918 0 40 GJAB Cc1sc2nc(SCc3cccc(C(F)(F)F)c3)n(C)c(=O)c2c1C 2415091 HADDQGJHDAWJJY-UHFFFAOYSA-N 384.448 4.923 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)NC1(C(F)(F)F)Oc2ccccc2O1 2725256 YDWXFHISTUZMGH-UHFFFAOYSA-N 392.255 4.514 0 40 GJAB CN1CCC(N(C)C(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)CC1 3287602 JYTQZDRINAUUBN-RCCKNPSSSA-N 386.898 4.572 0 40 GJAB CCOc1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1 3311300 WXZQWDNHXXDKND-UHFFFAOYSA-N 391.423 4.673 0 40 GJAB CCCOc1c(Cl)cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1OC 4611448 UZBBXIMBTZWNMX-GZTJUZNOSA-N 385.847 4.790 0 40 GJAB CC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 4816684 NQIXQQBPOCKYCC-ZWKOTPCHSA-N 387.270 4.672 0 40 GJAB C[C@H](Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl)c1ccccc1 4927539 XTWBIRMXONBQFD-HIGJEIRPSA-N 383.923 4.995 0 40 GJAB Cc1ccc(C)c(SCC(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCCC2)c1 4979958 CHZRUARDNGCBKD-UWJYYQICSA-N 388.602 4.799 0 40 GJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(OC)c2)cc1 5256211 AKUAXAUVLRVWNT-JOCHJYFZSA-N 391.471 4.533 0 40 GJAB CC[C@H](C)Cn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 5455047 VQVTVPLYBOPDBM-DLBZAZTESA-N 377.488 4.612 0 40 GJAB CC(C)(C)c1ccccc1OCC(=O)NCCOc1cccc2ccccc12 5643013 HAZFBMUNJKJXOM-UHFFFAOYSA-N 377.484 4.711 0 40 GJAB O=C(c1cc2c([nH]c3ccccc32)c(-c2cccc(Cl)c2)n1)N1CCOCC1 6112684 FGGNZMZIZQAAHS-UHFFFAOYSA-N 391.858 4.509 0 40 GJAB biogenic CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)O 6959508 UHAAEKGKBZZNNL-ZVBGSRNCSA-N 382.243 4.915 0 40 GJAB CN(Cc1cccc(Cl)c1)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 7285789 UIQXRKKIQNDBMG-UHFFFAOYSA-N 395.915 4.937 0 40 GJAB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(=O)O)N2 8092247 ZKQRSWXPQQAGFH-FTLABTOESA-N 383.831 4.651 0 40 GJAB COc1ccccc1-n1c(SCc2cscn2)nnc1-c1cccs1 8156510 LQDKNVNNIJJYLV-UHFFFAOYSA-N 386.527 4.753 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)cc1C 8478395 LUMBJQPLHFENQD-INIZCTEOSA-N 377.937 4.774 0 40 GJAB C[C@H](C(=O)Nc1cccc2ccccc12)N(C)Cc1cnn(Cc2ccccc2)c1 8943462 UPLGDNHSGBFFPR-LJQANCHMSA-N 398.510 4.544 0 40 GJAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccc2ncccc12 9419344 TUAZWLHLGIZQMA-UHFFFAOYSA-N 378.819 4.510 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccccc23)CC1 10225079 XJTHKZYPJANFFD-QGZVFWFLSA-N 391.515 4.692 0 40 GJAB Cc1ccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)nc1 12223580 FZMMQTPYEGRJFQ-UHFFFAOYSA-N 377.473 4.561 0 40 GJAB CC(=O)c1cccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c1 12274599 FQFRAEFWHMNZFL-UHFFFAOYSA-N 384.229 4.580 0 40 GJAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(F)c(Cl)c1 12729819 QEGOGFGBQIFWEZ-IBGZPJMESA-N 392.858 4.997 0 40 GJAB COc1cc(C)c(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1OC 12775207 UBFGGHPVVTVZTA-UHFFFAOYSA-N 398.484 4.608 0 40 GJAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 12877946 UOGVUQZHAFLJIR-NCZGREMUSA-N 391.511 4.603 0 40 GJAB biogenic COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)c1 13769588 VBYFJVGKRCTMDW-ICDZXHCJSA-N 395.543 4.881 0 40 GJAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(F)cc2F)cc1OCC 16317292 RKKQERIGCKMLDJ-LBPRGKRZSA-N 380.460 4.810 0 40 GJAB CCc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 20410977 FJTWOUQFRPJRBF-UHFFFAOYSA-N 391.452 4.956 0 40 GJAB FC(F)Oc1ccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 20621585 PHUNHQMEWDMIQO-UHFFFAOYSA-N 376.350 4.793 0 40 GJAB O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)c1ccccc1 20738644 YNYFGHMUAZKQQH-UHFFFAOYSA-N 382.467 4.699 0 40 GJAB CCOc1cc(CNCCc2ccccc2F)cc(Br)c1OCC 22074646 QWBFSEPDJDEVQZ-UHFFFAOYSA-N 396.300 4.718 0 40 GJAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22540393 GSAFIYQQZMWLSF-KRWDZBQOSA-N 375.534 4.783 0 40 GJAB O=C1CCCN1c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1 23078361 FHZPKBKYKUWWNY-UHFFFAOYSA-N 381.439 4.562 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 25470722 UEXGICTZFQUKHL-UHFFFAOYSA-N 378.925 4.855 0 40 GJAB COc1cccc(OCc2ccc(C(=O)Nc3cc(C)nc4ccccc34)o2)c1 27935663 KMPKYOOOBSNSER-UHFFFAOYSA-N 388.423 4.976 0 40 GJAB CCCOc1ccc(-c2nsc(NC(=O)c3ccc(C)cc3)n2)cc1OC 28286875 SZPFJBHFBXMHOX-UHFFFAOYSA-N 383.473 4.563 0 40 GJAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc(C(F)(F)F)c1 28303586 BZXAOKUVJPPIFE-UHFFFAOYSA-N 379.769 4.856 0 40 GJAB Cc1ccc(Nc2nn3c(C)cc(C)nc3c2NC(=O)c2ccc(C)cc2)cc1 35671237 NDQRUJWAJPYEBX-UHFFFAOYSA-N 385.471 4.959 0 40 GJAB CSc1ncc(Nc2nc(-c3ccc(Br)cc3)cs2)cn1 40461127 DLKTTWPJEBGEFM-UHFFFAOYSA-N 379.308 4.828 0 40 GJAB Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1NS(C)(=O)=O 43048784 GOCVJQHKWDWPSN-UHFFFAOYSA-N 394.452 4.518 0 40 GJAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(C)cc2)c(Br)c1 44849036 OEMCRKCUXXZKHV-GOSISDBHSA-N 390.321 4.966 0 40 GJAB CC(C)c1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 49547029 SHIRDUNJXYUWGL-SFHVURJKSA-N 378.497 4.771 0 40 GJAB CCC[C@H]1CCCN(C(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)CC1 58115796 UKBFKNJCFJIYDF-KRWDZBQOSA-N 386.565 4.735 0 40 GJAB O=C(NCCCn1cnc2ccccc21)N[C@H](Cc1ccccc1)c1ccccc1 58724489 IHPMPWODPNORQM-HSZRJFAPSA-N 398.510 4.710 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)c(C)c1 59176071 JHDPULZQZZACAX-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)c1coc(NC(=O)c2cccs2)n1 70848398 RAKIQZUFNRVWEX-UHFFFAOYSA-N 382.228 4.548 0 40 GJAB CN(C)Cc1cc(C[C@@H]2C[C@H](N(Cc3ccco3)Cc3ccco3)C2(C)C)no1 72320752 RLXZISMMKNIUJK-VGSWGCGISA-N 397.519 4.582 0 40 GJAB biogenic,in-vitro CC[C@H](C(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 77200321 RYEIPTWOUQBGAZ-ACRUOGEOSA-N 398.478 4.995 0 40 GJAB COc1cccc(CN2CCC3(CC2)CCN(Cc2ccc(C)s2)CC3)c1 96047245 VKODVGGKFFHEQD-UHFFFAOYSA-N 384.589 4.943 0 40 GJAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21 96053029 YWPODDQOLOMFPL-HXUWFJFHSA-N 380.532 4.559 0 40 GJAB Cc1cccc(OC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)n1 96119502 HPFVGAXHGWAVOA-UHFFFAOYSA-N 386.495 4.592 0 40 GJAB CC(C)OC(=O)COc1ccc2occ(-c3ccc4c(c3)OCCCO4)c2c1 96222180 IFRITNUUYUEXDI-UHFFFAOYSA-N 382.412 4.592 0 40 GJAB biogenic Cc1cc(O[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)cc(C)c1Cl 113942866 RHPRCCUXUGMRFW-INIZCTEOSA-N 375.896 4.828 0 40 GJAB COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OC 216235187 RDZOSLUQJGKSKH-VWLOTQADSA-N 389.495 4.851 0 40 GJAB O=C(Nc1ccccc1-c1cn2ccsc2n1)c1cccc(-n2cccn2)c1 218564775 MJNKISZUUJGGKT-UHFFFAOYSA-N 385.452 4.501 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1C 219026270 NANALLFYVQGFMV-MRXNPFEDSA-N 377.440 4.731 0 40 GJAB Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)cc1 222733903 LPDZEJCNRLYXPD-MOPGFXCFSA-N 381.526 4.737 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CC1 223336147 CPKASGGMGYFLBC-NHCUHLMSSA-N 392.528 4.601 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc2ccccc2c1 223622449 SFDAZILHWHEJGE-OAQYLSRUSA-N 383.875 4.846 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)c1C 224400358 LOWUNYAIEHZJHR-JOCHJYFZSA-N 395.499 4.847 0 40 GJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccccc1CN1CCCCC1 224836441 OQYGXYWBUVHASB-FQEVSTJZSA-N 394.559 4.880 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1Cl 224947509 NKRJYFZBPYOHDB-MOPGFXCFSA-N 399.903 4.822 0 40 GJAB S=C(Nc1ccc(Nc2ccccc2)cc1)N1CCN(Cc2ccco2)CC1 225215014 UYGMHEBVCZBCST-UHFFFAOYSA-N 392.528 4.538 0 40 GJAB CC(=O)Oc1cc2c(cc1C(C)=O)[C@@H]1CC[C@]3(C)[C@H](OC(C)=O)CC[C@@H]3[C@H]1CC2 252483599 FFTDLJHPIMGYHN-NHJQUPGMSA-N 398.499 4.602 0 40 GJAB Cc1cc(-c2c(C)noc2C)nc([C@@H]2CCCCN2C(=O)c2cccc(F)c2)n1 257216946 CWUFWDGNGQQOCS-IBGZPJMESA-N 394.450 4.563 0 40 GJAB CC(C)CC(=O)N1CCC[C@@H]1c1ccc(C(=O)O)c(-c2cccc(Cl)c2)n1 257240962 HVYNWMKSIPAMQV-GOSISDBHSA-N 386.879 4.810 0 40 GJAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ccc(Cc2ccc(F)cc2)nc1 257271520 MYQRPNRGLBQVSX-HXUWFJFHSA-N 395.503 4.944 0 40 GJAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c5ccccc45)OCC[C@@]31C2 257283470 OYMCCPJPUUJSMB-BTBKLAGLSA-N 379.500 4.564 0 40 GJAB Cc1noc(C)c1-c1cccc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 257323294 WJNLWFUEFHCUNW-QGZVFWFLSA-N 379.435 4.512 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1OC 408528346 DUJSTUJAODTILD-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB CCOc1c(Cl)cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1Cl 409080434 DGTYYRFCIYFSJR-GDNBJRDFSA-N 383.275 4.618 0 40 GJAB CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H]1CCOC(C)(C)C1 585084864 HWECZVPKMPLFHX-HNNXBMFYSA-N 383.414 4.535 0 40 GJAB CCOc1cc(Cl)ccc1C(=O)NC1CCC(N2CCC(C)CC2)CC1 622460252 LCGMFGHPPQWAMZ-UHFFFAOYSA-N 378.944 4.512 0 40 GJAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1C 674570 VVXSVTMQXGDOJS-KRWDZBQOSA-N 390.270 4.602 0 40 GJAB C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 883892 RNFVNOKVFKIIPT-ZDUSSCGKSA-N 395.450 4.656 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2nc3cc4c(cc3cc2C)OCCO4)c1 928298 QHFTUFFVXGXKDM-UHFFFAOYSA-N 394.496 4.662 0 40 GJAB COc1ccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)cc1 1369036 SGSXADHCDGJSNU-NHCUHLMSSA-N 397.494 4.542 0 40 GJAB CC(C)CCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2254363 ZKSDHDNWGNXGKS-UHFFFAOYSA-N 380.492 4.875 0 40 GJAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cn1 3347984 RHKAPAOSIYMBPX-UHFFFAOYSA-N 382.194 4.533 0 40 GJAB S=C(NCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 4088091 VUBRQLUCBKHTMZ-HXUWFJFHSA-N 381.932 4.621 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)OCc1cc(Cl)cc2c1OCOC2 4444814 BAIZFZPDQLGZPZ-UHFFFAOYSA-N 385.803 4.527 0 40 GJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C 4744012 DSIXHBFXZSSULK-UAONAUEWSA-N 387.608 4.935 0 40 GJAB COc1ccccc1-n1c(SCc2cc(C)on2)nnc1-c1cccs1 5259797 UCCANLQVACNWEC-UHFFFAOYSA-N 384.486 4.593 0 40 GJAB O=C(CSCc1ccccc1)/N=c1\sccn1Cc1ccccc1Cl 5736454 LUJIBIQSHGZKFC-VZCXRCSSSA-N 388.945 4.612 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3cccs3)cc2)cc1 5925308 TZASOKXTBGESEY-JLHYYAGUSA-N 398.509 4.509 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)COc3ccc(Cl)c4cccnc34)c2C)no1 6590737 JTQSAXZWLSOVGD-UHFFFAOYSA-N 395.846 4.854 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)NCCc3c[nH]c4ccccc34)s2)cc1 6764304 BSQAIRXVRJZIOC-UHFFFAOYSA-N 391.496 4.581 0 40 GJAB Clc1cccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c1 6829870 OBIJYYWCRPOVLL-UHFFFAOYSA-N 376.803 4.770 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 7929410 GOUKKGKMQJTGRX-HNNXBMFYSA-N 385.891 4.986 0 40 GJAB O=C(NCCC1=CCCCC1)c1cn(Cc2ccccc2)nc1-c1cccnc1 7988439 PPUMSYYOMCRVHB-UHFFFAOYSA-N 386.499 4.614 0 40 GJAB Cc1ccc(-n2ccnc2S[C@H](C(=O)NC2CC2)c2ccccc2)c(C)c1 8134731 ZXKXLPSIFGSZFJ-FQEVSTJZSA-N 377.513 4.601 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1O 8190300 IHUABNIXOKMGSG-UHFFFAOYSA-N 394.858 4.788 0 40 GJAB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccco1 9059939 OWVVJTLJGOPTBA-UHFFFAOYSA-N 392.459 4.530 0 40 GJAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cccc(Nc2ncccn2)c1 12523567 UPEKXNFHYDUDTM-UHFFFAOYSA-N 387.270 4.799 0 40 GJAB Cc1sc2nc(CN3CCCC3)nc(N[C@@H]3CCOc4ccccc43)c2c1C 12601474 WTHAVTRZAMOJOU-QGZVFWFLSA-N 394.544 4.840 0 40 GJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12795625 KBTJWQIEUYBEES-QGZVFWFLSA-N 391.389 4.844 0 40 GJAB COc1ccc(-c2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)cc1OC 12869825 JYNOESDZMMGIFL-UHFFFAOYSA-N 388.514 4.500 0 40 GJAB CC(=O)c1ccc(SCC(=O)Nc2ccc(C)cc2Br)c(F)c1 12885303 MVVAHYGLTCLSDP-UHFFFAOYSA-N 396.281 4.830 0 40 GJAB O=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 13844494 FENZBPPBBCSJAI-UHFFFAOYSA-N 396.849 4.590 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2ccccc2)cc1 14609681 IHTQJMDCGCPWLF-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CCC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1C(F)(F)F 16088391 GPOJVKAOUGXPGD-UHFFFAOYSA-N 392.782 4.719 0 40 GJAB C[C@H](Oc1cc(Cl)ccc1Cl)c1nn2c(=O)c3ccccc3nc2s1 17080066 LRFLMUADMBSMNK-VIFPVBQESA-N 392.267 4.751 0 40 GJAB CCOC(=O)c1ccc(Nc2cc(C)nc(COc3ccccc3Cl)n2)cc1 20765522 DCLLXLRDAMVQTC-UHFFFAOYSA-N 397.862 4.938 0 40 GJAB Cc1ccc2c(c1)C(=O)[C@@]1(OC(=O)c3ccccc3)CCN(c3ccccc3)C1=N2 22049835 ICIURMLAMQGRRU-VWLOTQADSA-N 396.446 4.727 0 40 GJAB in-vitro O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1N1CCCCCC1 22969380 LWESOLUVMMSDJL-UHFFFAOYSA-N 381.501 4.965 0 40 GJAB Cc1nc(-c2cccs2)sc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 23739900 TUWWPDQJWDMWBZ-QGZVFWFLSA-N 397.569 4.747 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Nc3nc4ccc(OC)cc4s3)no2)cc1 27580013 SDFKSEWENGJDNH-UHFFFAOYSA-N 395.440 4.611 0 40 GJAB Nc1ccc(Br)cc1C(=O)N1CCC[C@H]1Cc1ccccc1Cl 29045067 JEGGWFHNKPRKTO-AWEZNQCLSA-N 393.712 4.532 0 40 GJAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)N(C)Cc1ccc(Cl)s1 40067000 APNSJANTPSXMQH-CYBMUJFWSA-N 376.909 4.799 0 40 GJAB Cc1ccc([C@](O)(CCNCc2ccccc2C(F)(F)F)C(F)(F)F)o1 40088632 HXHRQUZADUHLMX-OAHLLOKOSA-N 381.316 4.537 0 40 GJAB COc1ccccc1NC(=O)NC1(c2ccc(Br)cc2)CCC1 40152984 XCWRAWWWIHXGGW-UHFFFAOYSA-N 375.266 4.659 0 40 GJAB CC(C)c1ccc2cc(C(=O)N(C)Cc3ccc(Br)o3)[nH]c2c1 48326275 OPNPGPKXRZVCSS-UHFFFAOYSA-N 375.266 4.919 0 40 GJAB O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1ccc(F)c(F)c1 58416464 DOOYESRITBLPDL-UHFFFAOYSA-N 377.394 4.875 0 40 GJAB c1c2c(cc3c1-c1cc4c(cc1[C@@H](C1CC1)O[C@@H]3C1CC1)OCCO4)OCCO2 66088001 YMRHYPCBGYPJPG-DNQXCXABSA-N 392.451 4.828 0 40 GJAB C[C@H]1CCC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)C1 71084641 ZDIWXOUSOHUVGI-NPMXOYFQSA-N 379.456 4.559 0 40 GJAB CCn1ccc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)n1 71785076 AGPNLNWYOUSSOT-SNKUEBRLSA-N 378.516 4.519 0 40 GJAB CC(C)(C)c1ccc(NC(=O)N2CCN(C3CC3)C[C@@H]2Cc2ccccc2)cc1 90690174 NVWQLXPQZKZUIN-QHCPKHFHSA-N 391.559 4.907 0 40 GJAB O=C1C[C@@H](c2cccs2)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96114741 VCODUROSUJGUJD-ZDUSSCGKSA-N 390.416 4.668 0 40 GJAB biogenic COc1ccccc1O[C@@H](C)c1cc(O)n2nc(C)c(-c3ccccc3)c2n1 100776431 RDLJIZGVKIIQAV-HNNXBMFYSA-N 375.428 4.559 0 40 GJAB O=C1[C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(O)cc1 101996685 CYSQSVAGOLJPOX-WAPCQROESA-N 395.458 4.635 0 40 GJAB COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1OC 102399480 FNSALUZZXNMXHJ-NRFANRHFSA-N 375.428 4.725 0 40 GJAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1c1ccc(O)cc1 102728339 UKLSFKJKAUBTPN-UHFFFAOYSA-N 383.860 4.936 0 40 GJAB CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 103718059 YQMCZRSLJDIQNX-HNNXBMFYSA-N 386.879 4.511 0 40 GJAB COC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 222718041 XWFFIHKNTPTCNG-UHFFFAOYSA-N 398.311 4.960 0 40 GJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225619404 FXFJOGWUNABMSE-AUSIDOKSSA-N 390.568 4.721 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225802098 GLYPKRHXFZSWGB-NRFANRHFSA-N 379.497 4.574 0 40 GJAB CCc1ccc([C@@H](CC(=O)O)c2c(O)c3c(C)cc(C)c(C)c3oc2=O)cc1 226759585 BDTDGEMLUVTDGO-QGZVFWFLSA-N 380.440 4.593 0 40 GJAB CC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(F)c(F)cc2F)C1 257305292 SPHPDWQWRLQCBM-ZCNNSNEGSA-N 381.369 4.731 0 40 GJAB Cc1ccc(C)c2sc(NC(=O)COc3ccc(Br)cc3)nc12 408623422 UBALXIRLYWADGQ-UHFFFAOYSA-N 391.290 4.693 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCC[C@H](OCC(F)(F)F)C1 590019861 TWFYUFHNUFVAHH-YNEHKIRRSA-N 396.236 4.667 0 40 GJAB Cc1ccc(-n2c(SCc3cnc(C)o3)nc3ccccc3c2=O)c(C)c1 1651591041 BXTOPAYDWOFLBK-UHFFFAOYSA-N 377.469 4.591 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)c1ccccc1 900695 SMWXSMRCOSJFTK-UHFFFAOYSA-N 385.492 4.968 0 40 GJAB CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Br)cc12 990452 NCWGFVZPHVAOSJ-UHFFFAOYSA-N 386.245 4.850 0 40 GJAB Cc1cc(C)c(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)c(C)c1 2120225 FROJFHVOAKJODM-UHFFFAOYSA-N 375.468 4.872 0 40 GJAB biogenic CCc1ccc(NC(=O)CSc2nc(C)nc3c2oc2ccccc23)cc1 2418931 WHWVSDMVGZHSKF-UHFFFAOYSA-N 377.469 4.978 0 40 GJAB Cn1ncc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)c1Cl 2577935 HTZGUDUKIUZYDT-UHFFFAOYSA-N 396.678 4.828 0 40 GJAB Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc(C)c1C 2625527 WIHXNHZSSMYIDX-UHFFFAOYSA-N 389.830 4.805 0 40 GJAB CN(Cc1ccccc1)C(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 3240949 WNIFUMNTEPPJFG-QGOAFFKASA-N 397.521 4.552 0 40 GJAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1ccc(F)cc1 3252505 DLDYIIDVTPRSFS-XDHOZWIPSA-N 375.399 4.906 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cnc(Cl)c(Cl)c3)n2)cc1 3292928 YVAIDCUWCOTCGX-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CC(=O)c1nn(-c2ccccc2)c2cc3c(cc12)c(C(C)=O)nn3-c1ccccc1 3844560 IYHXVLYZGFJGMA-UHFFFAOYSA-N 394.434 4.770 0 40 GJAB biogenic CC(C)c1ccc(C2=N/C(=C\c3ccc(Br)s3)C(=O)O2)cc1 4657360 IXPNRLUVCYOLKB-ZROIWOOFSA-N 376.275 4.979 0 40 GJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 4691513 ZYBGSPQZGSHGKA-UHFFFAOYSA-N 386.495 4.986 0 40 GJAB CCCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccoc1C 4860635 VKVPKLJBULZXTD-UHFFFAOYSA-N 388.468 4.517 0 40 GJAB Cc1occc1-c1nnc(SCCOc2c(Cl)cccc2Cl)n1C 4947960 WVAPEUMKVBWWOC-UHFFFAOYSA-N 384.288 4.861 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 5795918 JCBACDXYXMETHB-UHFFFAOYSA-N 387.917 4.899 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)Nc1nnc(SCc2ccccc2)s1 6790590 RWLXPMGPKFEHKI-UHFFFAOYSA-N 394.525 4.883 0 40 GJAB C[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NCC1CCCCC1 6936744 MAUUOKZTLMAGAL-MRXNPFEDSA-N 393.483 4.552 0 40 GJAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)NC1CCCCCCC1 7141117 UEVADCANESXKPK-PKNBQFBNSA-N 384.303 4.779 0 40 GJAB CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O 8434220 LPXODEDJNBGWFQ-UHFFFAOYSA-N 398.462 4.864 0 40 GJAB COc1ccccc1Nc1nc(N2CCC(Cc3ccccc3)CC2)ncc1F 9273455 STXKJPBYVJTFNT-UHFFFAOYSA-N 392.478 4.827 0 40 GJAB COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1 9428069 VOLXLYCEFXWJQG-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Cc1c(C(=O)N[C@H](c2ccccc2F)c2nccn2C)oc2ccc(Cl)cc12 12559511 WOOSZYHREZDVSX-GOSISDBHSA-N 397.837 4.787 0 40 GJAB Cc1noc(CSc2ccccc2C(=O)Nc2nc3c(C)cccc3s2)n1 12784704 YERGRVYWVJUREL-UHFFFAOYSA-N 396.497 4.841 0 40 GJAB COC(=O)c1ccc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1 13726645 YUKPBOJNTAKYBE-UHFFFAOYSA-N 386.860 4.811 0 40 GJAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)s1 14254992 GKBASQAGXVDWDF-UHFFFAOYSA-N 387.107 4.618 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 15859681 BMZWABXGULLPOH-GOSISDBHSA-N 399.878 4.545 0 40 GJAB CCc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc1 16331403 NWVWGWRRQAYINJ-ATVHPVEESA-N 383.904 4.767 0 40 GJAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(C)cc3C)cc2s1 17081307 PCIDQJQHVYBCGT-UHFFFAOYSA-N 397.500 4.669 0 40 GJAB Cc1cccc(-n2ncc3c(Nc4ccc(Br)cc4)ncnc32)c1 17180534 HLNPXXIATHNUST-UHFFFAOYSA-N 380.249 4.630 0 40 GJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1csc2c1CCCC2 18039480 WMEUJBZQMYWDPL-UHFFFAOYSA-N 397.327 4.644 0 40 GJAB Cc1ccccc1CN(Cc1ccncc1)[C@@H]1COC[C@H]1c1ccc(F)cc1 19237143 SYLMDJYNCWRVIU-BJKOFHAPSA-N 376.475 4.714 0 40 GJAB O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1ccccc1Cl 22458376 DMYZOAYCSGAHLX-UHFFFAOYSA-N 376.803 4.704 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 22526543 UBYIZULWXNQVOX-QGZVFWFLSA-N 391.515 4.562 0 40 GJAB c1ccc(-c2ccc(CNC[C@H](c3cccs3)N3CCOCC3)cc2)cc1 23257855 CSJBUOKBANKBDO-JOCHJYFZSA-N 378.541 4.578 0 40 GJAB Cc1sc(NC(=O)CSC(C)C)nc1-c1ccc(Br)cc1 24663148 MIXFJBCRIKSBSX-UHFFFAOYSA-N 385.352 4.961 0 40 GJAB CNc1nc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nc2ccccc12 24977958 UHSAQTSXRDVIJQ-GFCCVEGCSA-N 386.908 4.753 0 40 GJAB C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)c1ccccn1 28293748 HTJFTBKDTQRZPB-HNNXBMFYSA-N 384.838 4.875 0 40 GJAB Cc1c(C(=O)Nc2ccc(SCc3cccnc3)cc2)[nH]c2c1C(=O)CCC2 29357805 NAOVGAULNXHJEN-UHFFFAOYSA-N 391.496 4.782 0 40 GJAB COc1ccc(CCN(C)C(=O)c2ccc(-c3ccc(F)cc3)s2)cc1OC 30865392 ROLGESYXXRGAJV-UHFFFAOYSA-N 399.487 4.886 0 40 GJAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 32796603 FEAPSBCQSPYLMD-OAHLLOKOSA-N 397.906 4.984 0 40 GJAB CC(C)C(=O)N1CCC(C(=O)Nc2ccccc2Sc2ccccc2)CC1 32909616 ZBYWLXHWUALGBM-UHFFFAOYSA-N 382.529 4.671 0 40 GJAB COc1ccc(CCC(=O)NCc2ccccc2COCc2ccccc2)cc1 32925090 AFDRPPWPBUTLRD-UHFFFAOYSA-N 389.495 4.661 0 40 GJAB CCc1ccc2nc(NC(=O)/C=C/c3ccc(Br)o3)sc2c1 32996055 JGQKJDXVOBZIFB-VMPITWQZSA-N 377.263 4.866 0 40 GJAB Cc1ccc2cc(/C=C3/N=C(c4ccccc4)OC3=O)c(N3CCCCC3)nc2c1 33442698 ULKFHUCKRINUEZ-CJLVFECKSA-N 397.478 4.878 0 40 GJAB CCCn1c(/C(N)=C(\O)c2nc3ccccc3n2CCC)nc2ccccc21 41146046 VRPNFNJQRVLNNN-FMQUCBEESA-N 375.476 4.549 0 40 GJAB Cc1occc1-c1nnc(S[C@H](C(=O)N2CCCc3ccccc32)C(C)C)o1 42981998 SHLTXNCGBRMYKG-SFHVURJKSA-N 397.500 4.734 0 40 GJAB Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H](C)Oc1ccc(F)cc1 48340708 REYUXYHHGOSWFV-GOSISDBHSA-N 378.447 4.525 0 40 GJAB CCOc1ccc2nc(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)sc2c1 59257682 HAUNKFHNMPUWAK-UHFFFAOYSA-N 384.505 4.776 0 40 GJAB Cc1cc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)nc(C(C)C)n1 63440363 ONQJYFREQDBGMU-UHFFFAOYSA-N 384.480 4.656 0 40 GJAB Cc1cc(SCC(=O)Nc2ccccc2Cl)nc(-c2ccc(F)cc2)n1 67257098 JXNSXOPCPHTVJV-UHFFFAOYSA-N 387.867 4.975 0 40 GJAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3ccc(F)cc3)N1CC2 72342015 KSYQVNXNSLMYCA-DNQXCXABSA-N 390.458 4.915 0 40 GJAB Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4scnc4C)C3)n2)c1 72349846 AEUIGEGIGFDZKN-LJQANCHMSA-N 391.540 4.766 0 40 GJAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccccc1Cl 72414399 UTMPYRVNXKZZGQ-UHFFFAOYSA-N 381.925 4.515 0 40 GJAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1cc(F)ccc1Cl 79484542 WRYVOKXNVYFLIY-UHFFFAOYSA-N 383.766 4.868 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2cc(C)c3c(c2)C(C)(C)C(=O)N3C)c1 96182155 FFFRAQMFBUZPQZ-UHFFFAOYSA-N 388.920 4.877 0 40 GJAB CC(=O)N1CC2(CCCCC2)c2cc(C(=O)N(C)Cc3ccccc3)ccc21 96268174 VFSAHWALCSSOFY-UHFFFAOYSA-N 376.500 4.527 0 40 GJAB CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 101113432 CHKIYNDAMSPSOR-TWPTVVAISA-N 386.586 4.935 0 40 GJAB CC(=O)[C@@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@@]2(C)C(=O)c1ccc(C)cc1 101796431 COLOXOVVOKQLDC-TUSQITKMSA-N 384.431 4.629 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)c1 222688947 VYVLAVGYAYIVED-GOSISDBHSA-N 391.515 4.696 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 222851040 PCGCDTYMBKYBMM-INIZCTEOSA-N 375.896 4.563 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)ccc1Cl 222852032 VNCZKVVNVYSSQF-KRWDZBQOSA-N 389.923 4.952 0 40 GJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 225114463 ZRSGWXUOBAGREG-SFTDATJTSA-N 394.559 4.568 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)n1 225291611 ACJFOVMTOKGAON-OAQYLSRUSA-N 389.499 4.580 0 40 GJAB CC1(C)C[C@H](NC(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1 225813469 QSMHPGAXPOIIQR-INIZCTEOSA-N 379.378 4.503 0 40 GJAB NC(=O)c1cc(-c2cccc3ccccc23)nc2ccc(Br)cc12 226360493 JZOAJKPAGWOWEB-UHFFFAOYSA-N 377.241 4.916 0 40 GJAB COc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2)n(Cc2ccccc2)n1 257272186 NBIZQYREWJOATP-UHFFFAOYSA-N 398.462 4.901 0 40 GJAB CCn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2ccccc21 408713422 YDRRTIIWTLKKEI-UHFFFAOYSA-N 382.463 4.541 0 40 GJAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1cccc(OC)c1OC)N2 409190230 QFJDRRDECXDCRI-IPHXSNPTSA-N 397.471 4.515 0 40 GJAB COc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(COc3ccccc3)n2)c1 585265538 NPWMNMYOIHGBLQ-UHFFFAOYSA-N 393.439 4.822 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1 1146927182 CHGYHTZWXVMUOJ-MRXNPFEDSA-N 395.890 4.560 0 40 GJAB Cc1noc(C)c1-c1ccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)o1 1888928854 KZWXZLSWGCUWCF-UHFFFAOYSA-N 379.338 4.892 0 40 GJAB COc1ccc(CCNc2nc(C)nc3sc4c(c23)CCCC4)cc1OC 710244 BPOZXJJERGVQBT-UHFFFAOYSA-N 383.517 4.550 0 40 GJAB COc1cc(NC(=O)/C(Br)=C/c2ccccc2)c(OC)cc1Cl 955795 OCIAVSCNMWMLEP-WQLSENKSSA-N 396.668 4.732 0 40 GJAB CSCC[C@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O 2391154 VUQXEQQIHKTYRT-SFHVURJKSA-N 387.501 4.521 0 40 GJAB in-vitro C[C@H](OC(=O)c1ccc(F)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 2621924 YXZMUNJEZHHEFP-VIFPVBQESA-N 389.732 4.682 0 40 GJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)c1 2723039 OOIIHJXMAATEMG-UHFFFAOYSA-N 391.418 4.930 0 40 GJAB Cc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)cc1 2768896 MBMJLIKGGXOCBF-UHFFFAOYSA-N 392.409 4.572 0 40 GJAB CCOc1ccc2nc(SCC(=O)N[C@@H]3CCCc4ccccc43)sc2c1 3221711 FBUXIRCCCZGWIG-QGZVFWFLSA-N 398.553 4.981 0 40 GJAB O=C(CSc1ncnc2ccccc12)N(Cc1ccccc1)Cc1ccccc1 3253720 XTSDTJVNHMJAQZ-UHFFFAOYSA-N 399.519 4.951 0 40 GJAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1cc(Cl)ccc1C(=O)O 3376524 BCUKNTQNMQPLLX-UHFFFAOYSA-N 397.239 4.564 0 40 GJAB O=C(Nc1cccc2c1C(=O)c1ccccc1-2)c1ccccc1Br 4106875 QFUFSAHDYDNLAJ-UHFFFAOYSA-N 378.225 4.913 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccncc2)n2c(nc3ccccc32)N1 4735674 VRXJSTDYIJNGIA-QFIPXVFZSA-N 395.466 4.667 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1C 4800423 KQHHGOWKLSTRTF-HNNXBMFYSA-N 390.512 4.559 0 40 GJAB Cc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Cl)cc2)c1 5343466 WKWIAPJMJUPZBC-CPNJWEJPSA-N 380.831 4.651 0 40 GJAB CCOc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc(OCC)c1OCC 5457786 FHWBKNJWUAOJFH-AWEZNQCLSA-N 375.440 4.513 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 5713177 IREHUSGSTLREGA-UHFFFAOYSA-N 378.042 4.877 0 40 GJAB Cc1cc(Br)cc(C)c1NC(=O)Cn1c(C)c(C=O)c2ccccc21 6390107 FCABGFPPHREJBC-UHFFFAOYSA-N 399.288 4.780 0 40 GJAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1Br 6567146 BTNLQOGFJLPLSF-UHFFFAOYSA-N 396.697 4.710 0 40 GJAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc([C@@H](C)CC)cc3)CC2=O)cc1 6880936 GTGIBXDPUZLLBR-PKOBYXMFSA-N 394.515 4.981 0 40 GJAB O=C(Nc1ccccc1C(=O)NCCc1ccc(F)cc1)c1ccc(Cl)cc1 7247870 AWVIPUUWDGBOHK-UHFFFAOYSA-N 396.849 4.704 0 40 GJAB Cc1cc(NC(=O)[C@@H](C)Sc2nc(-c3cccs3)nc3ccccc23)no1 7298650 PARFDVYQHIXUOZ-GFCCVEGCSA-N 396.497 4.774 0 40 GJAB CCN1C(=O)/C(=C\c2cc(C)n(CC)c2C)S/C1=N/c1ccc(OC)cc1 8089866 UCOCIWMEDADIBP-HNPUNDFXSA-N 383.517 4.757 0 40 GJAB O=C(CCSc1nc2ccccc2s1)Nc1ccccc1N1CCCC1=O 8193390 MIKOQYYLQLNUEI-UHFFFAOYSA-N 397.525 4.544 0 40 GJAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 9235171 QSTVCEIUZMACIW-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Oc1nc(SCc2ccc(Cl)cc2Cl)nnc1Cc1ccccc1 9304613 ZKJAKTJAEFEOBZ-UHFFFAOYSA-N 378.284 4.767 0 40 GJAB O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)NC2CCCCC2)cs1 9319478 BEDKNISAMPXUEF-UHFFFAOYSA-N 378.885 4.503 0 40 GJAB Cc1ccc(CC(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)c(C)c1 9504342 WEHUPCSYFMKQCY-UHFFFAOYSA-N 399.535 4.580 0 40 GJAB COc1ccc(C)cc1NC(=O)CSc1nc(C2CC2)nc2ccccc12 10838545 YVGDOEQYDFHVOQ-UHFFFAOYSA-N 379.485 4.555 0 40 GJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CCC2)c1 11193745 GEMZAQPNIZEUMM-UHFFFAOYSA-N 380.488 4.885 0 40 GJAB CCCCCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(C)C 11565921 OEAUWUPXQCHCHR-UHFFFAOYSA-N 375.534 4.858 0 40 GJAB COc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 11922088 OQYBLDPWUIAWRN-UHFFFAOYSA-N 397.478 4.537 0 40 GJAB COc1ccccc1-c1nnc2ccc(Oc3cccc(C(F)(F)F)c3)nn12 12408561 FZLKVBKHYLGKGM-UHFFFAOYSA-N 386.333 4.611 0 40 GJAB COc1ccc(Nc2nnc(SCc3cn4c(C)cccc4n3)s2)cc1 12624052 KFUIOSJRVWQFLO-UHFFFAOYSA-N 383.502 4.539 0 40 GJAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(F)cc1Cl 12815574 OKBMGWSXMBXZON-UHFFFAOYSA-N 383.897 4.975 0 40 GJAB Cc1ccc2c(C)c(CCC(=O)Nc3nc4c(s3)CCCCC4)c(=O)oc2c1 12829298 MLOPKFPULZVKMK-UHFFFAOYSA-N 396.512 4.707 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)NC(C)C)c(N)c3c(C(F)(F)F)c2C1 12858013 PHINMBXNXHGNBE-VIFPVBQESA-N 385.455 4.550 0 40 GJAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1cc(C2CC2)nn1-c1ccccc1 12939336 LCQZKYKGTGCMDQ-LJQANCHMSA-N 392.528 4.587 0 40 GJAB O=C(Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1)c1ccccc1 13570521 JUHUEEZDWGKTKJ-UHFFFAOYSA-N 395.465 4.969 0 40 GJAB CC(=O)c1cc(Br)ccc1O[C@H](C)C(=O)Nc1c(C)cccc1C 14068070 LJOUNAVPQXGHCP-CQSZACIVSA-N 390.277 4.675 0 40 GJAB Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c2c(C)noc2n1 14276775 JVQKTKGLFLZUJP-UHFFFAOYSA-N 384.867 4.736 0 40 GJAB CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)S1 15084941 YQMVIJOFYICFTP-LJQANCHMSA-N 381.432 4.935 0 40 GJAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)cc1 19690723 PCAIUKXIHNKUBF-XMMPIXPASA-N 386.495 4.972 0 40 GJAB O=C(N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 19799977 WVICZZJMDUZPQK-AWEZNQCLSA-N 384.134 4.642 0 40 GJAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5C)c4ncn3n2)cc1 21801126 NQFHOCJPDLEHCW-UHFFFAOYSA-N 383.455 4.669 0 40 GJAB Cc1ccccc1N1C[C@](O)(c2ccc(Cl)c(Cl)c2)[N+]2=C1CCCC2 22407894 BTELIMBBZPZNOF-FQEVSTJZSA-N 376.307 4.562 0 40 GJAB C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc2c(F)cccc2s1)c1ccc(F)cc1 24899329 FJEFHANSOUZRFB-NWDGAFQWSA-N 389.423 4.602 0 40 GJAB CON(C)Cn1nc(-c2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=S 24974282 PKYCBLWUEMLBQN-UHFFFAOYSA-N 395.315 4.828 0 40 GJAB CC(C)N(Cc1cccnc1)Cn1nc(-c2cccs2)n(C2CC2)c1=S 40151375 BVZYZBMTWPMHLC-UHFFFAOYSA-N 385.562 4.741 0 40 GJAB Clc1ccc2oc(C3CCN(Cc4nc(-c5ccco5)no4)CC3)nc2c1 42742667 KTZIRLGOMYATGW-UHFFFAOYSA-N 384.823 4.504 0 40 GJAB COc1cccc2cc(C(=O)N(Cc3ccsc3)Cc3ccccn3)oc12 44446030 LKSCVNLPINQWFE-UHFFFAOYSA-N 378.453 4.741 0 40 GJAB CC(C)Cn1ccc2cc(NC(=O)c3ccc(N4CCCC4=O)cc3)ccc21 58139038 YEBAJPXCAWKUHR-UHFFFAOYSA-N 375.472 4.676 0 40 GJAB CO[C@@](C)(CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1F 96123518 KYYLGDJKGIIWKV-DEOSSOPVSA-N 391.442 4.741 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1 97212622 WDKJFKWQKSHLPK-UHFFFAOYSA-N 397.887 4.962 0 40 GJAB Cc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1ccc(F)cc1 115085599 OGVMUGOJENKRFT-UHFFFAOYSA-N 386.423 4.998 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 222850970 PCGCDTYMBKYBMM-MRXNPFEDSA-N 375.896 4.563 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 223238300 PEHBCYSMAANMPJ-CQSZACIVSA-N 381.900 4.604 0 40 GJAB COc1ccc2ccccc2c1/C=C1\NC(=O)N(c2ccc(Cl)cc2)C1=O 409174009 PMWDCZVADVNFHI-PDGQHHTCSA-N 378.815 4.599 0 40 GJAB CN(C(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1)c1ccc(F)cc1 525659927 VGQTUCPNNKIJPE-UHFFFAOYSA-N 392.217 4.991 0 40 GJAB CC(C)[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CO[C@@H]1c1ccc(F)cc1 643914407 QUIQNAJNAYUKGU-FGZHOGPDSA-N 385.527 4.575 0 40 GJAB COc1ccc(F)cc1CC(=O)Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1 1156028835 BSNLVZAQQGMZAQ-UHFFFAOYSA-N 394.233 4.712 0 40 GJAB C[C@H](c1ccccc1Br)N(C)S(=O)(=O)c1cc2ccccc2o1 1188507570 LBWZBDSTUJFONW-GFCCVEGCSA-N 394.290 4.577 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 832549 GGIURCNYQSCJQV-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1 850282 UXQVIHIZIUXJAL-UHFFFAOYSA-N 388.423 4.835 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2 882859 HKUWNGUSGMSMPR-UHFFFAOYSA-N 392.528 4.584 0 40 GJAB CSc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccco2)cc1 1369146 FEDIYHXZMFUSAV-ROUUACIJSA-N 385.533 4.709 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1C[C@H](C(C)(C)C(C)C)C[C@H](C)C1=O 2098985 JQRKTVYMLPNBDE-VOMKJEOTSA-N 388.504 4.829 0 40 GJAB CC(C)(C)OC[C@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O 2579051 RKFLTEIFFLLOTG-IBGZPJMESA-N 399.487 4.583 0 40 GJAB in-vitro O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 3216387 FKBVMORRMWISDY-UHFFFAOYSA-N 377.415 4.530 0 40 GJAB COc1ccccc1/C=C/C(=O)Nc1ccc(Br)c(OC(F)F)c1 3270663 IEERVQOIXSDBJX-RMKNXTFCSA-N 398.203 4.711 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c1C 3300983 UXNXDJNRLADWAK-UHFFFAOYSA-N 399.393 4.747 0 40 GJAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1cccc(Cl)c1 4078305 KQDQIGRPDWPJAK-UHFFFAOYSA-N 379.869 4.875 0 40 GJAB CCc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ns2)cc1 4167528 SBZLKXNSCFCCQE-UHFFFAOYSA-N 385.514 4.507 0 40 GJAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2S(=O)(=O)c1ccc(F)cc1 4727796 TUHDYWXTBIPWMW-CQSZACIVSA-N 377.481 4.706 0 40 GJAB CCN(c1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)C 4866688 DTPIOLMBDZHXHS-UHFFFAOYSA-N 398.547 4.619 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)s2)c1 4878600 YFZRJQUUZHMQNQ-IJEWVQPXSA-N 390.578 4.623 0 40 GJAB CCOc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 4889995 PERVRBJYJIZIIQ-UHFFFAOYSA-N 379.485 4.518 0 40 GJAB O=C(CCC1CCCC1)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1 5000940 XTNSHJSZBBKFAO-UHFFFAOYSA-N 378.472 4.521 0 40 GJAB CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC1CCCCC1 6743937 UYSMJSYODSSZBZ-UHFFFAOYSA-N 376.888 4.643 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(F)cc1)Cc1ccco1 6747538 GGCDBORKMJRJQT-UHFFFAOYSA-N 387.838 4.988 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3cccc[n+]3[O-])ccc21 7372645 NFYYOXVNOLAMLG-OAHLLOKOSA-N 391.496 4.567 0 40 GJAB Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1Cc1ccccc1 7577685 JIUHWLWHASXUPX-UHFFFAOYSA-N 398.557 4.554 0 40 GJAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 8071383 MUKXQCLTURNFMX-HNNXBMFYSA-N 394.858 4.889 0 40 GJAB COc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1Br 8137252 CYIOESYTKLDIPA-UHFFFAOYSA-N 384.657 4.680 0 40 GJAB COc1cc(C(=S)N2CCCC2)cc(Cl)c1OCc1ccc(F)cc1 8206896 SNZIKRDZMKZNAG-UHFFFAOYSA-N 379.884 4.838 0 40 GJAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 8314042 OWKIORVAIDLOCT-UHFFFAOYSA-N 385.678 4.796 0 40 GJAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCCCO2 8394892 IXXTWKRULZKCDV-UHFFFAOYSA-N 375.424 4.532 0 40 GJAB O=C(NCc1ccc(CN2CCCC2)cc1)C(c1ccccc1)c1ccccc1 8429913 XQPSNIDPCQWUHA-UHFFFAOYSA-N 384.523 4.731 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)CCC(=O)c2ccc(F)cc2)cc1 8724411 LOXRGRGZTIXOHK-OAQYLSRUSA-N 383.463 4.941 0 40 GJAB CN(C)c1ccc([C@@H](CNC(=O)C[C@H]2C=CCC2)c2c[nH]c3ccccc23)cc1 8746775 HWNQVONOMBCQJN-PGRDOPGGSA-N 387.527 4.838 0 40 GJAB Cc1nnc(S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C(=O)O)[nH]1 9289312 HAQIFVQHRZHBAY-OVCLIPMQSA-N 375.837 4.553 0 40 GJAB COCc1c(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)oc2ccccc12 9337547 SNHVGXWHECJXCH-UHFFFAOYSA-N 399.516 4.520 0 40 GJAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1ccc(OC)c(OC)c1 9938190 NUPDAJZSBLQINQ-UHFFFAOYSA-N 381.472 4.945 0 40 GJAB COc1ccc(CCNC(=O)c2ccccc2SCc2ccccc2)cc1 10358448 UJCFZBIZVSBFKM-UHFFFAOYSA-N 377.509 4.960 0 40 GJAB COc1ccc(Cl)cc1Nc1ncnc2c1cnn2-c1ccc(C)c(C)c1 10386144 IONVHQUAAFSVMK-UHFFFAOYSA-N 379.851 4.838 0 40 GJAB Cc1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)ccc1N1CCCC1=O 10956825 OLZKUYAUYFGPGA-UHFFFAOYSA-N 377.271 4.610 0 40 GJAB CC(=O)c1ccc(C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)s1 12927893 YWQSXCSPBBTAMB-QUMKFVLLSA-N 387.504 4.978 0 40 GJAB COc1ccc(OC)c([C@H]2O[C@@H]3CCCC[C@@H]3c3cc(OC)c(OC)cc32)c1 13516941 HUVLGXCTVIMPTE-OFSQETHSSA-N 384.472 4.867 0 40 GJAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)NC4CCCCC4)c3)cn2n1 13711570 KTKXDNKTROFTED-UHFFFAOYSA-N 399.882 4.513 0 40 GJAB COc1cccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)c1 15106938 JUUUWFBMAORAQC-INIZCTEOSA-N 395.480 4.915 0 40 GJAB O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(F)cc1 15539972 BGWMKAWEKDGKSQ-QGZVFWFLSA-N 382.460 4.762 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)sc2c1 16321415 JOANGLFEIOUEOF-UHFFFAOYSA-N 397.500 4.570 0 40 GJAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@@H](c1ccccc1)N(C)C 16599656 CBNDNVZCCZRIKE-SFHVURJKSA-N 399.947 4.805 0 40 GJAB Cc1cccc(C2(O)CCN(Cc3c(C(C)(C)C)[nH]c4ncccc34)CC2)c1 19234509 JGWFCBSQBKJUMT-UHFFFAOYSA-N 377.532 4.652 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 21369089 CDRABIACHIIYTN-CVEARBPZSA-N 379.456 4.502 0 40 GJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)c1ccc(Br)cc1 23500702 MCOHBVGTZKBMKA-LLVKDONJSA-N 398.732 4.754 0 40 GJAB CC(=O)Nc1cccc(-n2c(SCc3cccc(C)c3)nnc2C2CC2)c1 26136500 ISTJXMXNSUVLGB-UHFFFAOYSA-N 378.501 4.704 0 40 GJAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 32754233 USQWZABXWJHLHL-NDCSFFLDSA-N 399.556 4.620 0 40 GJAB c1cc(-c2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cs2)cs1 32759268 GILSRRJIDUEBKX-KRWDZBQOSA-N 384.526 4.980 0 40 GJAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1sc2ccccc2c1Cl 32912071 LDMOHAGCNFOEHS-MRXNPFEDSA-N 384.932 4.949 0 40 GJAB COc1ccc2ccc(O)c(CN3CCN(c4cccc(Cl)c4)CC3)c2c1 33426793 SYRUAWDRHBJNKX-UHFFFAOYSA-N 382.891 4.530 0 40 GJAB O=C(Nc1c2c(nn1-c1nc3ccccc3s1)CCC2)c1ccccc1Cl 35596705 DCQWIHQNHUYTAC-UHFFFAOYSA-N 394.887 4.876 0 40 GJAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1c(F)cccc1F 37210471 BQSFDQVODOCHNO-LJQANCHMSA-N 390.480 4.674 0 40 GJAB O=C(NCCCOCCc1ccccc1)c1ccc(C2SCCS2)cc1 40156011 CCHQELQGYKSCRC-UHFFFAOYSA-N 387.570 4.544 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)s1)c1ccco1 49764859 ZROCLVUYEVJNGP-INIZCTEOSA-N 395.484 4.746 0 40 GJAB Cc1ccccc1OCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C 49985294 LNCDDEJPAZNCFP-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB Cc1cc(N2CCSCC2)ccc1NC(=O)NC1(c2ccc(F)cc2)CCC1 51648926 MHEUPWCWJHWGJM-UHFFFAOYSA-N 399.535 4.888 0 40 GJAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)c(C)c1 58009533 TYVSCWSMOMXXTG-IAGOWNOFSA-N 384.545 4.784 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)cs2)cc1 58171601 XJUCERABPPUQMY-UHFFFAOYSA-N 380.557 4.994 0 40 GJAB CC(=O)Nc1cc(NC(=O)c2cccnc2SC(F)(F)F)ccc1Cl 63338076 NGMNDCGDLQLJDG-UHFFFAOYSA-N 389.786 4.558 0 40 GJAB Cc1cc(C)cc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c1 67297824 KJOCYJFSQKJMRA-LCUIJRPUSA-N 399.450 4.943 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 71115871 WGQUHSBYVWCFCM-OAHLLOKOSA-N 381.451 4.886 0 40 GJAB C[C@H](CCC(=O)O)[C@@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C 71758264 XWJTYEGVQBFZHI-FXQSUIFWSA-N 390.564 4.542 0 40 GJAB biogenic C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)Cc1csc(-c2ccccn2)n1 72308343 OVLSDGAQRDYFTL-GCJKJVERSA-N 392.572 4.548 0 40 GJAB C[C@H]1CCc2nc3ccccc3c(C(=O)N3CCC[C@H](C(F)(F)F)C3)c2C1 84700136 ZIQCCJBNTPWNCN-KBPBESRZSA-N 376.422 4.774 0 40 GJAB CCCCOc1ccc(NC(=O)Nc2ccccc2Cc2nc(C)no2)cc1 96097088 QGPBFTPHCJUJIT-UHFFFAOYSA-N 380.448 4.792 0 40 GJAB CC(C)CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344044 HSEOODXAAGTYPH-OAQYLSRUSA-N 382.548 4.644 0 40 GJAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccnc1C(F)(F)F 97032070 OWNHFTPACFUBJQ-UHFFFAOYSA-N 385.317 4.754 0 40 GJAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)c1ccc(Cl)cc1 139388149 DQLKHSJWGBDMLA-CXUHLZMHSA-N 392.263 4.913 0 40 GJAB CCCc1nc(S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)O)n[nH]1 213374552 OMSYQVVLHIXOHC-GDNBJRDFSA-N 389.864 4.888 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 219028247 YPQYMJHEJSYCPH-GOSISDBHSA-N 377.484 4.755 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219325161 BRBWWSOQYYKWJX-QZTJIDSGSA-N 391.895 4.782 0 40 GJAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222723813 DFFMEHDAACDCBH-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 222755743 GDWOWOQKGGKPAE-VXKWHMMOSA-N 384.508 4.628 0 40 GJAB COc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223351045 VNSNWKYWFLTFHN-IAGOWNOFSA-N 385.504 4.780 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225378909 OPMJPHIQBBHPBM-SNVBAGLBSA-N 394.283 4.918 0 40 GJAB O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(N2CCCC2=O)c1 225379506 MQFJLIQKCXBMMA-UHFFFAOYSA-N 377.271 4.692 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(Cl)c1)CC(C)(C)O2 225681127 WEKYMAYEHQPPLM-INIZCTEOSA-N 376.909 4.937 0 40 GJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 225826871 VSYIKIZHFNMZLU-JOCHJYFZSA-N 393.524 4.966 0 40 GJAB CCCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1C(=O)OC 225830538 QLZXLIHABJKFKD-UHFFFAOYSA-N 391.508 4.720 0 40 GJAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)cc1C(=O)OCC 225842351 LKTHNGKEXNGLHS-QFIPXVFZSA-N 393.524 4.966 0 40 GJAB CC(C)c1nc(Cc2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)no1 225898335 IQHFFGHHYZMNDY-UHFFFAOYSA-N 388.427 4.691 0 40 GJAB COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257254287 KCMFNWZTEKXQHR-FQEVSTJZSA-N 394.446 4.781 0 40 GJAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3)n2)c1 408696541 AMPPKFZNIGIKRT-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c1 408722681 CMIAFNSEMWKMLP-LSSDNNNWSA-N 393.486 4.740 0 40 GJAB Cc1cccnc1Nc1cc([C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)ccn1 585292793 SHJZXLPEVPLQBH-CSHXORCISA-N 388.471 4.541 0 40 GJAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccc(OC(C)C)cc3)coc2c1 630458 KTNSUELVXKUIRL-HNNXBMFYSA-N 396.439 4.578 0 40 GJAB biogenic Cc1ccc(C)c(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1 677085 QXNDKTOYVDYXAD-MXXWWZHRSA-N 379.459 4.700 0 40 GJAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Cl)cc1Cl 817407 USQUJNOTSNIHJP-UHFFFAOYSA-N 383.238 4.980 0 40 GJAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)N1CCCC1 933096 KRCGAELPSHICEX-UHFFFAOYSA-N 389.933 4.726 0 40 GJAB CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccco2)cc1 1001044 NFJDMCMQWQKNNI-HSZRJFAPSA-N 386.451 4.948 0 40 GJAB Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nc1cccc(Cl)c1Cl 2581871 AXYCJNAWIFPXEB-UHFFFAOYSA-N 393.057 4.966 0 40 GJAB CC(C)c1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1 3324298 QMPNUWQGLUWYTP-UHFFFAOYSA-N 376.485 4.922 0 40 GJAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(Cl)c1 3428541 FVRMTSVBOSNMNU-UHFFFAOYSA-N 380.300 4.993 0 40 GJAB CCOC(=O)C1=C(OCc2ccc(C(F)(F)F)cc2)[C@@H]2C=C(C)C=C[C@@H]2N=C1 4107051 FHBPWQXNCCKGMB-AEFFLSMTSA-N 391.389 4.625 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nc2ccccc21 4289546 IOJZBGKASFQVJO-UHFFFAOYSA-N 390.306 4.550 0 40 GJAB Cn1c(CCN2CCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 6130158 AARHHOLPTBORNG-UHFFFAOYSA-N 396.922 4.507 0 40 GJAB O=c1c2ccccc2nc(SCc2ccccc2F)n1-c1ccc(F)cc1 6704420 PGHJIZKWOOYPTB-UHFFFAOYSA-N 380.419 4.956 0 40 GJAB Clc1ccccc1CNc1nc2ccccc2c2nc(-c3ccncc3)nn12 6805460 DUMKDUQZBHYDQB-UHFFFAOYSA-N 386.846 4.605 0 40 GJAB COc1ccccc1O[C@@H](C)C(=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810583 FLGSBHBDBWDHKH-INIZCTEOSA-N 399.874 4.938 0 40 GJAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(-n2ccnc2)cc1 7128452 RNPSBOUNPRMDFY-HSZRJFAPSA-N 396.450 4.652 0 40 GJAB O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928376 XHSDZANQZYFSDF-JTQLQIEISA-N 383.662 4.638 0 40 GJAB NC(=O)c1cc(-c2cs/c(=N\c3ccccc3F)n2C2CCCC2)ccc1O 7974479 OZNZKAMRAHZMJK-FLFQWRMESA-N 397.475 4.508 0 40 GJAB O=C(CSc1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3o2)CC1 8263435 OVBKMFHNXXJWQY-UHFFFAOYSA-N 392.524 4.815 0 40 GJAB Clc1ccc(COc2cccc3ccc(N4CCOCC4)nc23)cc1Cl 8769716 FWAHDIMKGUSWRR-UHFFFAOYSA-N 389.282 4.957 0 40 GJAB COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)cc1 10156647 MYMHUTIHHGNUAR-HNNXBMFYSA-N 377.419 4.589 0 40 GJAB CC[C@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)Nc1ccc(F)cc1 10867297 QUWSENWMJAGTDZ-SFHVURJKSA-N 399.491 4.626 0 40 GJAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 10972327 APQUUFJLYYMSHG-UHFFFAOYSA-N 388.467 4.864 0 40 GJAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(Oc2ccc(Cl)cc2)cc1 11994447 SYHZJASQODJPCM-RTBURBONSA-N 387.863 4.640 0 40 GJAB O=c1c2oc3nc(-c4ccco4)c4c(c3c2ncn1CCc1ccccc1)CCC4 12321714 OTLDWJWQBIKIPY-UHFFFAOYSA-N 397.434 4.529 0 40 GJAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl 13031002 FKDPALMQDMUVMU-UHFFFAOYSA-N 387.886 4.582 0 40 GJAB CC(C)c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2n1 15657952 YCAFYAXTBRTWBC-UHFFFAOYSA-N 387.527 4.753 0 40 GJAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)(C)C)cc2)NC(=S)N1 16713881 VWHLDKBFKUBSFX-FQEVSTJZSA-N 394.540 4.520 0 40 GJAB O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccccc1 17190582 SSGAYHYYESPPQF-UHFFFAOYSA-N 394.887 4.781 0 40 GJAB CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 19081717 XLJKFBDXIWDMBR-IRLDBZIGSA-N 397.538 4.869 0 40 GJAB CCOc1ccc(C2=C/C(=C3/N=C(c4ccco4)OC3=O)c3ccccc3O2)cc1 20070038 KFGWDUXFMDMSPB-PYCFMQQDSA-N 399.402 4.827 0 40 GJAB CCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)c(OCC(=O)O)c1 20158174 RTLKRDSWKAVCGG-UHFFFAOYSA-N 384.457 4.555 0 40 GJAB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)nn12 20609629 LUOMJKNBUVYXPU-UHFFFAOYSA-N 397.891 4.711 0 40 GJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccccc1)CO3 20610425 MJKICFAYXUPMCY-UHFFFAOYSA-N 377.484 4.839 0 40 GJAB biogenic CCCCOc1ccccc1C(=O)Nc1nc(-c2ccc(OC)cc2)ns1 21175550 CBCREFWZFBLSBK-UHFFFAOYSA-N 383.473 4.645 0 40 GJAB CCn1cc(C(=O)Nc2cccc(Cl)c2)c(=O)c2cc(C(F)(F)F)ccc21 22236755 LBXNWZOONZGVJF-UHFFFAOYSA-N 394.780 4.946 0 40 GJAB Cc1ccc(C(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)c(C)c1 23074833 CWCHYSMMEGQGRA-UHFFFAOYSA-N 380.469 4.640 0 40 GJAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cc2c(cc1Cl)OCCCO2 26982379 ZUMJGNRPIFHSSL-UHFFFAOYSA-N 397.858 4.917 0 40 GJAB Cc1ccc(NC(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c(C)c1 27918034 KBMDDDLHDYQDEC-UHFFFAOYSA-N 385.265 4.896 0 40 GJAB CCn1nc(C)cc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1 28241105 JTJWPEXTXZPHOV-UHFFFAOYSA-N 381.476 4.933 0 40 GJAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(OC(F)F)cc1 31967558 SPTKWHVNAGNOSW-UHFFFAOYSA-N 397.303 4.745 0 40 GJAB COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(C(C)C)cc1 35168050 UMEDOQVNDUHPJI-HSZRJFAPSA-N 389.499 4.782 0 40 GJAB CCOc1ccc(NC(=O)N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)cc1 35291872 XQTTWFOABHRFBS-UHFFFAOYSA-N 378.476 4.682 0 40 GJAB Fc1ccc2[nH]c([C@H]3CCN(Cc4cccc(OC(F)(F)F)c4)C3)nc2c1 35446625 RSCPVUZITIQXCU-ZDUSSCGKSA-N 379.357 4.590 0 40 GJAB biogenic,in-vitro CN(C)c1ccc(NC(=O)c2cccc(Br)c2)c(C(F)(F)F)c1 36395209 CCTWFCNZWCXGSR-UHFFFAOYSA-N 387.199 4.786 0 40 GJAB O=C(N[C@@H](C[C@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 36734725 ZXIGFMHJUXKYEJ-GGAORHGYSA-N 395.522 4.623 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1Cc1ccccc1 39994079 CFWTZNYAZCCSGY-UHFFFAOYSA-N 375.516 4.928 0 40 GJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(SC)c1 41077053 DENWHXAFJYTYFG-UHFFFAOYSA-N 381.501 4.694 0 40 GJAB O=C(Nc1nc2c(Br)cccc2s1)Nc1c(F)cccc1F 42381221 DOORUFFIJQODRS-UHFFFAOYSA-N 384.205 4.981 0 40 GJAB CC[C@H](C)c1cc(Cl)ccc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 42783139 OXGNDBMIOLFUAK-NOLJZWGESA-N 397.899 4.695 0 40 GJAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4F)ccc32)c1 46078683 ZLVOOBUQSKGOKJ-UHFFFAOYSA-N 388.442 4.979 0 40 GJAB COc1ccc(-c2cn3c(-c4ccc(C)o4)c(-c4ccc(C)o4)nnc3n2)cc1 57742602 FZGLQWMLWMKWOX-UHFFFAOYSA-N 386.411 4.937 0 40 GJAB C[C@@H](NC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc2c(c1)CCCC2 71897619 NCRPJRLJONBOFQ-LJQANCHMSA-N 392.543 4.674 0 40 GJAB COc1cccc(NC2=NC(=O)S/C2=C\c2c(C)nc3scc(C)n23)c1 72400329 FTJZYXSQZGIVQE-NVNXTCNLSA-N 384.486 4.740 0 40 GJAB CCc1ccccc1NC(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1 77197482 XDGGFYQXUKWZJX-UHFFFAOYSA-N 391.475 4.675 0 40 GJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)c2c(F)cccc2Cl)C1 77200120 GBCQQOPZAJTTKW-GJZGRUSLSA-N 390.842 4.769 0 40 GJAB O=C(CSc1ccc(O)cc1)Nc1ccc(N2CCc3ccccc32)cc1 84582051 RZYIKSQKVDGLEA-UHFFFAOYSA-N 376.481 4.817 0 40 GJAB C[C@H](O)C[C@@H]1CCCN1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 95434744 SKXWAIPGZXHBBY-WMZOPIPTSA-N 389.580 4.682 0 40 GJAB COCCn1cc(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc21 95473426 GTPSUQFTBYJFIS-UHFFFAOYSA-N 377.271 4.776 0 40 GJAB CC(C)c1nc(-c2cc(C(=O)NCc3ccncc3)c3ccccn23)cs1 96154830 GNCAVYQYQWEIRG-UHFFFAOYSA-N 376.485 4.511 0 40 GJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CN(Cl)C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100367381 ZXLHRZRTZBQUAS-ZMJBZLFPSA-N 379.972 4.725 0 40 GJAB O=S(=O)(NCCSCc1cccc(Cl)c1)c1ccc2ccccc2c1 107614722 QAXDHHPLDWCQRU-UHFFFAOYSA-N 391.945 4.705 0 40 GJAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](F)C(=O)C(F)(F)C[C@]4(C)[C@H]3CC[C@@]21C 118926057 UFYRJOXAZPLNOO-WHRUGPDISA-N 386.454 4.723 0 40 GJAB CC(C)CSc1nnc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)s1 223051629 HHYDZQZLGHJLTN-ZDUSSCGKSA-N 379.551 4.816 0 40 GJAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)cc1 223786766 AUCFBUJOIXLOLE-NHCUHLMSSA-N 392.528 4.602 0 40 GJAB COc1cccc(NC(=O)c2ccc(OC)c(COc3ccccc3C)c2)c1 224099565 UPVHDVWHHQUCDU-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccccc1OC 224240738 PQFHGMRHLPWICI-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2nc(-c3ccccc3C)no2)c1 224939575 RBAVMEJALCYHNV-QGZVFWFLSA-N 393.487 4.561 0 40 GJAB CCn1c(SCc2ccc(F)cc2)nc2c(-c3ccccc3)c[nH]c2c1=O 225545638 OQWBSEAJGNXULB-UHFFFAOYSA-N 379.460 4.843 0 40 GJAB CCCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1C(=O)OCC 225834458 SQJGZZUXOURGOV-UHFFFAOYSA-N 391.508 4.576 0 40 GJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260816718 NSTWCSJPGHITCT-CVDCTZTESA-N 390.568 4.721 0 40 GJAB Cc1c(Cl)cccc1NCN1C(=O)S/C(=C/c2ccccc2F)C1=O 408725776 HPSWOOCTDKKKQE-CXUHLZMHSA-N 376.840 4.893 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C 409100345 UOOAKBQWVYJFCC-UHFFFAOYSA-N 394.544 4.949 0 40 GJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)CCc3ccccc3)[C@](O)(C(F)(F)F)[C@H]2C1 409105381 NCRHBDJJDPWNGO-GQIGUUNPSA-N 396.453 4.531 0 40 GJAB O=Cc1nc(Br)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]1 1857794609 CTNIMNHCBOABMA-UHFFFAOYSA-N 387.077 4.689 0 40 GJAB CCOc1ccc(-c2nnc(N(CC(C)C)C(=O)Cc3ccccc3)s2)cc1 1345567 MJIDIQZBXIGVOB-UHFFFAOYSA-N 395.528 4.836 0 40 GJAB CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCCOC)c23)CO1 2424775 VGBYANRJPWNIEW-IBGZPJMESA-N 395.594 4.882 0 40 GJAB CN(Cc1c(F)cccc1Cl)C[C@@H](O)COc1c(Cl)cccc1Cl 2628418 ORKBEDJZPIFANR-LLVKDONJSA-N 392.685 4.658 0 40 GJAB S=c1n(CN2CC=C(c3ccccc3)CC2)nc2sc3ccccc3n12 3345325 YLNIRJYUSNCECR-UHFFFAOYSA-N 378.526 4.827 0 40 GJAB O=C(c1ccccc1Cl)c1cc(Br)ccc1NC(=O)C1CC1 4071742 NDJRYTQCAVJNDH-UHFFFAOYSA-N 378.653 4.682 0 40 GJAB CC1=NN(C2(CNC(=O)c3ccccc3)CCCCC2)[C@@H](c2ccccc2)C1 4770882 ZPEYJZCTFQHDPP-JOCHJYFZSA-N 375.516 4.942 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1ccc(CSc2ncccn2)cc1 4813638 BELOIWJUINPDJU-UHFFFAOYSA-N 385.876 4.683 0 40 GJAB C[C@@]12C[C@@H](NC(=O)N1c1ccc(Br)cc1)c1cc(Cl)ccc1O2 4877642 CITQBOJBIPKRNU-RHSMWYFYSA-N 393.668 4.872 0 40 GJAB CCCCOc1ccc(NC(=O)CSc2nc3ccc(OCC)cc3[nH]2)cc1 6072721 OILJRVKVGZMDTD-UHFFFAOYSA-N 399.516 4.871 0 40 GJAB O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1 6251135 FLJAFDWYDCHGBD-UHFFFAOYSA-N 394.283 4.698 0 40 GJAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 6629884 FWAFVNRGALYSMO-UHFFFAOYSA-N 383.561 4.779 0 40 GJAB CC(C)c1ccccc1-n1ccnc1SCC(=O)N(C)Cc1ccsc1 7098902 PFVSNJDTAXFCRY-UHFFFAOYSA-N 385.558 4.808 0 40 GJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccccc1F 7160706 ULPUCSRITIUEFQ-JTQLQIEISA-N 395.381 4.907 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 7481898 OCSZGFGATUPKNS-UHFFFAOYSA-N 393.870 4.962 0 40 GJAB C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 7779189 SINUOWCBXFMCER-HNNXBMFYSA-N 379.481 4.581 0 40 GJAB COc1ccc2oc(C(=O)N(C)Cc3ccc(OC(F)F)cc3)c(C)c2c1 7967653 IRSMWGVQLHDEJQ-UHFFFAOYSA-N 375.371 4.623 0 40 GJAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 9137514 JMIRGTQPLNLXAO-UHFFFAOYSA-N 390.405 4.893 0 40 GJAB CC(C)c1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c2ccccc2n1 9448408 NRNUXXZPWMMBNH-NRFANRHFSA-N 377.488 4.518 0 40 GJAB Cc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c(Cl)c1 10139744 WILYDDHNQMIEKZ-UHFFFAOYSA-N 381.907 4.948 0 40 GJAB CCCOc1ccccc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 10280274 LYTBIYBFRSICSK-UHFFFAOYSA-N 380.488 4.790 0 40 GJAB Cc1nc2sc3c(c2c(-c2cccs2)c1C(=O)N1CCOCC1)CCCC3 12772166 UPNBAYCKIQPHDT-UHFFFAOYSA-N 398.553 4.684 0 40 GJAB O=C(C[C@@H](C(=O)O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1Cl 12809042 MELSIQYSNFVIPJ-GFCCVEGCSA-N 389.732 4.695 0 40 GJAB O=C(CCn1ccc2ccc(F)cc21)NCCc1c[nH]c2ccc(Cl)cc12 13734651 QGAGJPATVKDUJW-UHFFFAOYSA-N 383.854 4.664 0 40 GJAB CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccco1 14086850 CHVPWUUHJWUSQI-QFIPXVFZSA-N 396.450 4.830 0 40 GJAB CC(=O)Nc1ccc(C2=NN=C(Nc3cccc(Cl)c3C)SC2)c(F)c1 15404361 IMEFTDJDXJEXIE-UHFFFAOYSA-N 390.871 4.665 0 40 GJAB CCOc1ccc(-n2c3c(c(SCc4ccccc4F)nc2=O)CCC3)cc1 15840498 GVWNINOQNTXSSU-UHFFFAOYSA-N 396.487 4.551 0 40 GJAB Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)C[C@@H]2C=CCC2)n1 19286997 NLAIMGCAPUZUMM-HXUWFJFHSA-N 398.510 4.732 0 40 GJAB Cc1ccc(-c2nsc(NC(=O)COc3cc(C)c(Cl)c(C)c3)n2)s1 21806041 XPBBWFAHAIMZAQ-UHFFFAOYSA-N 393.921 4.863 0 40 GJAB COc1ccccc1-c1cc(NC(=O)COc2ccccc2)n(-c2ccccc2)n1 21944927 PAEAXVMJJSDXQQ-UHFFFAOYSA-N 399.450 4.565 0 40 GJAB Cc1ccccc1[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 30873608 VAFIPWFSATZLGY-RUZDIDTESA-N 398.506 4.637 0 40 GJAB O=C(NCc1ccc(F)cc1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 30988012 LFDZIJOJOZYYGW-OAQYLSRUSA-N 387.458 4.938 0 40 GJAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(OC(C)C)cc3)c2C)c1 32609758 DBFCGNMULQDGIA-UHFFFAOYSA-N 393.487 4.596 0 40 GJAB CCOc1ccc(C(=O)OCc2cc3ccc(C)cc3nc2Cl)cc1OC 32708182 PDWTXDOTWUYUPU-UHFFFAOYSA-N 385.847 4.961 0 40 GJAB CC1CCN([C@H](CNC(=O)c2cccc(OC(F)F)c2)c2cccs2)CC1 33028225 OJZARYPWAVJXTI-QGZVFWFLSA-N 394.487 4.553 0 40 GJAB O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1ccccc1Cl 33647791 QVRRXVHXUVUVJB-UHFFFAOYSA-N 394.283 4.698 0 40 GJAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2OC(C)C)c1 36365441 SZKZVCHOVDTIES-SFHVURJKSA-N 377.444 4.792 0 40 GJAB COc1cc(OC)c([C@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc1OC 40288012 KRNZLNZSIPZELD-CQSZACIVSA-N 396.468 4.960 0 40 GJAB CCOc1ccc(-c2cn3cc(Br)cc(Br)c3n2)cc1 40383884 MMEVOKSWDDXXDD-UHFFFAOYSA-N 396.082 4.925 0 40 GJAB COc1ccc(-c2cc(=O)n3c4ccccc4n(Cc4ccc(C)cc4)c3n2)cc1 40485252 BKAROCTWPVSAQD-UHFFFAOYSA-N 395.462 4.682 0 40 GJAB Cc1cc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2nccn2C)ccc1C(C)C 44369929 CBCDABIQNHXJFT-XMSQKQJNSA-N 391.515 4.525 0 40 GJAB C[C@@H](Cc1c(F)cccc1F)NC(=O)c1cccnc1Nc1cccc(F)c1 57336014 FHKGAOITHXMXQX-ZDUSSCGKSA-N 385.389 4.604 0 40 GJAB O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccccc1C(F)(F)F 57369057 NSEUBYUUIWGMBS-AWEZNQCLSA-N 379.378 4.906 0 40 GJAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCC(Cc2ccccc2)CC1 57413206 LSWLFSVCQRROBV-UHFFFAOYSA-N 379.891 4.825 0 40 GJAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)cc1 57486601 PULHHSSWNGKGTH-UHFFFAOYSA-N 396.809 4.636 0 40 GJAB COCCCn1c(S[C@H](C)c2cccnc2)nnc1-c1ccccc1Cl 59324746 HCBDJPOEBMXYLW-CQSZACIVSA-N 388.924 4.883 0 40 GJAB O=C(c1ccc(-c2ccc(O)cc2)nc1)N1CCC(CCc2ccccc2)CC1 71404226 KETWOIFRSDWECT-UHFFFAOYSA-N 386.495 4.939 0 40 GJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1N1CCCCC1 72216132 RKYYOEQFKSERGX-OAQYLSRUSA-N 379.504 4.936 0 40 GJAB CC(C)[C@H](CNC(=O)CCc1cccc(OC2CCCC2)c1)c1cccnc1 75107339 BMHDKAIIGYXAGF-QHCPKHFHSA-N 380.532 4.892 0 40 GJAB COc1cc2c(cc1OC)C(c1sc3nc(C)cc(C)c3c1N)=NC(C)(C)C2 78549390 LXXIGVIQUNRTLR-UHFFFAOYSA-N 395.528 4.685 0 40 GJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@H]4CC(C)C)cc1 85879177 WBCQLYOJYJQDBX-CQSZACIVSA-N 394.423 4.613 0 40 GJAB biogenic CCN(CC)C(=O)c1ccc(C(=O)Nc2ncc(-c3ccccc3C)s2)cc1 95963517 ZCPDXBDUJKIKSK-UHFFFAOYSA-N 393.512 4.853 0 40 GJAB CCOc1ccccc1-c1csc(NC(=O)c2cccc(C3OCCO3)c2)n1 95978340 IFTWBUQEDUJTCP-UHFFFAOYSA-N 396.468 4.507 0 40 GJAB O=C(NCCc1ccccc1C(F)(F)F)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103724805 JQKZRDBGTDGTLM-CXTCDGGRSA-N 385.857 4.942 0 40 GJAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 111212658 SFLHWONXWPWOJN-GFCCVEGCSA-N 388.316 4.573 0 40 GJAB CC(C)Oc1cccc(CNC(=O)c2ccccc2OCc2ccccc2)c1 218985925 WUPIHWQIGLBDMX-UHFFFAOYSA-N 375.468 4.983 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 224968953 QVUPASIEDKROBI-NRFANRHFSA-N 394.559 4.851 0 40 GJAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(OC)c1 225677420 QSRGHJQDGIYLEA-QGZVFWFLSA-N 386.517 4.601 0 40 GJAB COC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OC(C)C 225682890 KJGUCHXKBRVMAQ-UHFFFAOYSA-N 399.462 4.850 0 40 GJAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NC1CCCCCC1 225802439 RWXGVIHDNBTFSG-UHFFFAOYSA-N 381.398 4.527 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)c(Cl)c1Cl 409136789 ZNNZLXLFOGWWTD-UHFFFAOYSA-N 382.268 4.956 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCCC2 668801 DQLMUSMXKADYPB-SQWLQELKSA-N 375.534 4.957 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nnc2cc(C)c3cc(C)cc(C)c3n12 903001 DLTHMWQETZXVHI-KRWDZBQOSA-N 396.560 4.691 0 40 GJAB Cc1c(C(=O)c2ccc(C(C)(C)C)cc2)sc2nc3ccccc3c(=O)n12 1771999 UXNJXSOVHYNNDJ-UHFFFAOYSA-N 376.481 4.746 0 40 GJAB CC[C@H](C)[C@H](C(=O)Nc1c(C)cc(C)cc1Cl)N1C(=O)c2ccccc2C1=O 1910536 CNNMRPJXAJIPCW-ORAYPTAESA-N 398.890 4.606 0 40 GJAB Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 2404047 RPRAWPSXIGUPCK-NRFANRHFSA-N 382.419 4.555 0 40 GJAB O=C(CSc1ccc(Br)cc1)N[C@H]1CCCc2ccccc21 3221831 FDKNYMUZHFAYAD-KRWDZBQOSA-N 376.319 4.735 0 40 GJAB CC(C)N(C(=O)COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 3225368 TZVVTOBAJYUJBM-UHFFFAOYSA-N 387.479 4.803 0 40 GJAB COC(=O)c1ccc(COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 3263265 GWPQUZRNULEQIO-UHFFFAOYSA-N 387.391 4.638 0 40 GJAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 3380274 VMACHNCCVLWVNF-UHFFFAOYSA-N 375.424 4.891 0 40 GJAB O=C(COC(=O)c1ccc(F)cc1Cl)NC(c1ccccc1)c1ccccc1 3450120 ONBYDOIKMICWPO-UHFFFAOYSA-N 397.833 4.542 0 40 GJAB CC(=O)O[C@@H]1C=C2C=C[C@@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@@]43CCC(=O)O3)[C@@]2(C)CC1 4074091 GVIBMJZVMHMBKI-UNTFZJFLSA-N 384.516 4.733 0 40 GJAB biogenic Cc1ccc2nc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)sc2c1 4520461 IWUHIMSEVSAZMN-UHFFFAOYSA-N 385.514 4.519 0 40 GJAB O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc(Cl)cc1 4838612 RUZCAQRPEMCBJI-UHFFFAOYSA-N 383.238 4.980 0 40 GJAB S=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 4886060 FKKFVJQSKCKZDV-IHWFROFDSA-N 385.964 4.822 0 40 GJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1 4936801 DZFAXJYQTMTBSV-UHFFFAOYSA-N 383.447 4.680 0 40 GJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(OC)cc2)cc1 5256216 GEMSEHSMUZPRKN-QFIPXVFZSA-N 391.471 4.533 0 40 GJAB CCOc1cc(C(=O)Nc2ccccc2SC)cc(OCC)c1OCC 5443569 QPFPLYFMONGCNP-UHFFFAOYSA-N 375.490 4.857 0 40 GJAB CN(C)C(=O)[C@@H](OC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 5505052 WFOGBLQEYDKTPW-QHCPKHFHSA-N 387.435 4.501 0 40 GJAB O=C(O)c1c(C[C@@H](Cc2ccc3c(c2)CCCC3)C(=O)O)ccc2c1CCCC2 5537760 AARDSHRCKCKLNM-OAQYLSRUSA-N 392.495 4.628 0 40 GJAB O=C(Nc1ccc(Cl)cc1)Nc1ncc2c(n1)C[C@@H](c1cccs1)CC2=O 5556489 XTBIMNJHRLMFEZ-LLVKDONJSA-N 398.875 4.748 0 40 GJAB CCOc1cc(/C=C/C(=O)O)c(Br)cc1OCc1ccccc1 6155336 RGMWSPNQRLIRQT-CMDGGOBGSA-N 377.234 4.525 0 40 GJAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2C)c1 6629705 ABPQUBYXIIHYPO-UHFFFAOYSA-N 399.560 4.757 0 40 GJAB CCCSc1ncc(Cl)c(C(=O)Nc2ccccc2Br)n1 6810516 JLRWGVAQZZJZKZ-UHFFFAOYSA-N 386.702 4.647 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1OCc1cn2ccccc2n1 7318839 XHNKUOIYDBWNBA-UHFFFAOYSA-N 395.821 4.958 0 40 GJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1nnc(C2CCCCC2)s1 7995780 ROQDTHPAWIHRTC-UHFFFAOYSA-N 384.530 4.891 0 40 GJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3)sc2c1 8903147 VWYVVLKFIPRCDK-UHFFFAOYSA-N 384.457 4.514 0 40 GJAB O=C(/C=C/c1cccs1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8980955 POTURAIBAUCFGH-SOFGYWHQSA-N 383.494 4.827 0 40 GJAB Cc1ccc(C)c(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccnc2)c1 9374641 TVUVHHSKKGZOLP-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cccs3)C[C@H]21 10216133 FMVNODGSQFGOKT-DYESRHJHSA-N 377.469 4.784 0 40 GJAB CCCCc1ccc(NC(=O)CSc2ccc(-c3ccncc3)nn2)cc1 10221044 AADWYHATHYLZPK-UHFFFAOYSA-N 378.501 4.612 0 40 GJAB O=C(CSc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12628902 AQIVFJMIDWRAQB-HXUWFJFHSA-N 377.513 4.507 0 40 GJAB CCn1c(-c2ccccc2C)nn(CN2CCC[C@H](C(F)(F)F)C2)c1=S 12811497 MVIHYSCEBRYTBN-AWEZNQCLSA-N 384.471 4.641 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1OC 14153665 FCSGOZZVYJPERZ-WEVVVXLNSA-N 382.243 4.671 0 40 GJAB COc1cc(CNC(=O)c2c[nH]c3ccccc23)ccc1OCc1ccccc1 14168091 SVMKHNIMUAKGOC-UHFFFAOYSA-N 386.451 4.686 0 40 GJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCOc2ccccc21 14780397 BLPJAAWSTDHHFO-QGZVFWFLSA-N 382.847 4.568 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)COc2cccc3ccccc23)c(OC)c1 15829780 YWHJLSQLLXVOCA-NRFANRHFSA-N 391.467 4.600 0 40 GJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccnc1Cl 16227073 OPYXDCRVNBAWDJ-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB CCCOc1ccc(C(=O)CCNc2ccc(-n3ccnc3)c(Cl)c2)cc1 19625222 MJZMLYCYIZGNLD-UHFFFAOYSA-N 383.879 4.999 0 40 GJAB Cc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccc(F)cc4)c(C)nn23)n1 21799252 WZRUPHDJIVJRPM-UHFFFAOYSA-N 377.467 4.944 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 30872381 IBMNOXYKHDYSSP-SFHVURJKSA-N 388.895 4.664 0 40 GJAB Cc1noc(C)c1CSCC(=O)Nc1c(Cl)cccc1C(F)(F)F 32721586 RXPVDQMMLXHHEQ-UHFFFAOYSA-N 378.803 4.836 0 40 GJAB Cc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c2cccs2)cc1 32795340 YVKIOXOUFYJENN-BTYIYWSLSA-N 394.496 4.935 0 40 GJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc1OC 36354958 JIKWARMUPIGIHM-ZDUSSCGKSA-N 383.835 4.667 0 40 GJAB COc1cccc(-c2cc(C(=O)Nc3cccc(C)c3)c3c(C)nn(C)c3n2)c1 36615862 LTFJVEKDLJYVJD-UHFFFAOYSA-N 386.455 4.513 0 40 GJAB Cc1sc2nc(SCc3cc(Cl)c4c(c3)OCO4)nc(N)c2c1C 40063017 PYJYRANTABSSCI-UHFFFAOYSA-N 379.894 4.565 0 40 GJAB Cc1ccccc1C[C@@H](C)NC(=O)c1cccc(OCc2c(C)noc2C)c1 40155942 NZHJDKBSRAFZRY-MRXNPFEDSA-N 378.472 4.540 0 40 GJAB Cc1ccc(-n2nnc(CC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)c2C)cc1 40157964 BUYINCXDZBXRPT-UHFFFAOYSA-N 394.478 4.637 0 40 GJAB Cc1ccc(CNC(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 41154665 KRNKKIFUSNXPAJ-UHFFFAOYSA-N 383.451 4.950 0 40 GJAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44873349 LKRIZDFRAGTLJE-LJQANCHMSA-N 382.573 4.611 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)NC[C@H]2Cc3ccccc3O2)cc1 48301773 SHAOGAQMXMTXTQ-LJQANCHMSA-N 390.439 4.613 0 40 GJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)N(C)[C@@H](C)C(C)(C)C 58167281 ZTLWWYNKFRPBOG-LBPRGKRZSA-N 376.419 4.629 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1Cl 59227195 PRNQQCTWBJKCIJ-NSHDSACASA-N 397.689 4.947 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1Cl 59227206 NITGMLVJKZPLOA-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB FC(F)(F)COc1cccc(CSc2nncn2CCc2cccs2)c1 59833492 ILCZCGVDRZWXMC-UHFFFAOYSA-N 399.463 4.816 0 40 GJAB Cc1cccc2c1C(=O)N[C@H](c1csc(COc3ccc(Cl)cc3)n1)N2 60523422 RQUVIDXRFPYJIL-GOSISDBHSA-N 385.876 4.538 0 40 GJAB Cc1cccc(Oc2ncccc2NC(=O)c2ccc(OC(C)C)nc2)c1C 65624056 WANZTHSOZKODRH-UHFFFAOYSA-N 377.444 4.925 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72348677 UZVXSXIHKYPXKD-LJQANCHMSA-N 392.449 4.970 0 40 GJAB O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)NC1CC1 78517767 VDKBHXJGJGWPHP-UHFFFAOYSA-N 390.212 4.680 0 40 GJAB C[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc2c(c1)CCC(=O)N2 84651739 GDEGOGMWXUQQSN-NSHDSACASA-N 386.377 4.706 0 40 GJAB O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1SCc1cccs1 89811832 LHOYKFIYDMXTTQ-QRQLOZEOSA-N 385.554 4.728 0 40 GJAB CCn1ncc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1C(F)(F)F 95957903 AILXXBDADVOUQY-UHFFFAOYSA-N 394.422 4.914 0 40 GJAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1Cc1ccc(Cl)cc1 100032119 ZPPHGLBEJAMGII-UZLBHIALSA-N 388.920 4.669 0 40 GJAB Cc1ccc(Nc2nc(COC(=O)C3C[C@H]4CCC[C@H](C3)C4=O)cs2)cc1 101852168 ZULMCNHHEUPNND-HUUCEWRRSA-N 384.501 4.634 0 40 GJAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@@H](c3cccnc3)C2=C(O)C1 102582329 WBDSSSBPZIJYSH-IBGZPJMESA-N 387.443 4.819 0 40 GJAB COc1ccc(CN2C(=O)/C(=C\Nc3ccccc3C)c3ccccc3C2=O)cc1 105010939 PMVRMFSAAYRQHC-JCMHNJIXSA-N 398.462 4.639 0 40 GJAB O[C@@H](C[C@H]1c2ccccc2-c2cncn21)C1CCC(OCc2ccccc2)CC1 207679402 BGZYLMZZDLEDEY-DAEVLTMZSA-N 388.511 4.980 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 222891829 ULDZHRJVFFDAAA-WOJBJXKFSA-N 381.476 4.863 0 40 GJAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccccc1C(C)C 224563628 DZILZXOGLJMJAW-FQEVSTJZSA-N 397.515 4.697 0 40 GJAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 224858755 BBFFMCCYXCJKFC-SJORKVTESA-N 387.917 4.679 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCCCc2cccc(C)c2)cc1Cl 225393392 KBNRIHXEUFTQNW-UHFFFAOYSA-N 390.936 4.744 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OC 225762390 KREMLHMIHRISBV-UHFFFAOYSA-N 399.462 4.852 0 40 GJAB COc1ccc(C2(C(=O)Nc3ccc(OC)c4ccccc34)CCOCC2)cc1 225781716 VCXHHPAIEHHVBJ-UHFFFAOYSA-N 391.467 4.544 0 40 GJAB CCOc1ccc(C2=NN3[C@H](c4ccco4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 239611777 FENSELHAZQZNEG-KNQAVFIVSA-N 394.858 5.574 0 40 GJAB O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccc2c(c1)CCCC2 390827107 UGATYOUHOKGDAN-IBGZPJMESA-N 389.567 4.756 0 40 GJAB CCCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccccc2)C1=O 409194665 LBGLIZIILUZMRS-QNGOZBTKSA-N 386.451 4.722 0 40 GJAB Cc1ccc(CN2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 504196017 QKQZEKKTBGAMSI-NKKJXINNSA-N 379.500 4.592 0 40 GJAB biogenic O[C@@H]1[C@@H](N2CCC(c3ccccc3)CC2)CCC[C@H]1Oc1cccc(Cl)c1 585290392 VVCNQSSRGNJLJU-YTFSRNRJSA-N 385.935 4.880 0 40 GJAB Cc1cc(C)c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(C)cc2c1 881277 JASUEMYFFCKHBU-UHFFFAOYSA-N 380.469 4.620 0 40 GJAB COC(=O)c1ccc(-c2ncc(-c3ccc4ccccc4c3)o2)cc1C(=O)OC 1276139 YKRHFNJWYVPJET-UHFFFAOYSA-N 387.391 4.735 0 40 GJAB COc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)cc1 2412131 USQTXTSDTJAJRE-UHFFFAOYSA-N 388.471 4.810 0 40 GJAB COc1ccc2c(C)cc(SCC(=O)c3ccc(OC)c(OC)c3)nc2c1 2889048 MGTTVVICLBCCIU-UHFFFAOYSA-N 383.469 4.544 0 40 GJAB CCc1cc2c(SCC(=O)Nc3cc(Cl)ccc3C)ncnc2s1 3229338 NOSZTIMKVQWZBH-UHFFFAOYSA-N 377.922 4.946 0 40 GJAB CN(C)CCCN(Cc1ccccc1)C(=S)Nc1ccc(F)c(Cl)c1 3449227 VVNQQPUZUFMHKJ-UHFFFAOYSA-N 379.932 4.630 0 40 GJAB O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc(F)cc2)o1 4496601 AAXPKLTZXXCPAY-UHFFFAOYSA-N 377.828 4.650 0 40 GJAB Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@@H]2c2cccc(F)c2)cc1 4837571 JEMHSXVBEVNMBS-JOCHJYFZSA-N 394.471 4.674 0 40 GJAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nc2c(s1)CCCC2 5016483 WHFYBBZNXYPTBL-JTQLQIEISA-N 375.544 4.751 0 40 GJAB C/C(Cl)=C\CSc1nc2sc3c(c2c(=O)n1C)CCc1ccccc1-3 5024904 PINRYNYXRVPPFU-PKNBQFBNSA-N 388.945 4.995 0 40 GJAB COc1ccc(C2=N/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)cc1 5359592 FKQKECYZSKIXSU-PDGQHHTCSA-N 379.799 4.953 0 40 GJAB CCOC(=O)c1ccc(-c2c(C(F)(F)F)oc3cc(O)c(CC)cc3c2=O)o1 5961455 UUAJIQZUKLNTPP-UHFFFAOYSA-N 396.317 4.517 0 40 GJAB O=C(c1ccccc1)C(C(=O)c1ccccc1)c1nc2ccccc2sc1=O 5974412 MKKMVXOROGZJJI-UHFFFAOYSA-N 385.444 4.506 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C\Nc3ccccc3)c3ccccc3C2=O)cc1 6270338 OWKHMTCETHLRFL-JWGURIENSA-N 384.435 4.725 0 40 GJAB CC(=O)N(c1nc(CSc2nccn2C)cs1)c1c(C)cc(C)cc1C 6369405 ZEZDZDVQEQNILS-UHFFFAOYSA-N 386.546 4.779 0 40 GJAB CC[C@@H](C)NC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O 6623904 GJDUCWZRVXQANU-CQSZACIVSA-N 389.451 4.972 0 40 GJAB biogenic Cc1ccc2c(CC(=O)Nc3nc(C)c(C(=O)OCC(C)C)s3)coc2c1 6809932 ZNZXCRDVOWYIEO-UHFFFAOYSA-N 386.473 4.500 0 40 GJAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccc(Cl)cc1Cl 6881142 SDZGICZGULTBNP-NHYWBVRUSA-N 397.327 4.537 0 40 GJAB CC(=O)N1CCC(C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)CC1 6982039 TUEMAGDIAHIGMX-UHFFFAOYSA-N 382.529 4.652 0 40 GJAB COc1cccc(CN(C)C(=O)CSc2nc3cc(Cl)ccc3s2)c1 7544865 CTHALZULBSSLQT-UHFFFAOYSA-N 392.933 4.709 0 40 GJAB CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1 7547308 IIZNDNBFTFNAMR-UHFFFAOYSA-N 393.531 4.600 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1C 7654350 VDBSLAUBFCEJLL-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB CN(CC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)Cc1ccco1 7919030 OCRNVJBQQIRGEH-HXUWFJFHSA-N 378.497 4.592 0 40 GJAB O=C1CCc2cc(-c3csc(NC(=O)c4ccc(Cl)s4)n3)ccc2N1 7990455 SDNJAPXLXAARND-UHFFFAOYSA-N 389.889 4.662 0 40 GJAB CCCCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 9062189 JEJDMAHBDIUONW-UHFFFAOYSA-N 380.473 4.586 0 40 GJAB FC(F)(F)c1cccc(CSc2nnc3n2CCN3c2ccccc2)c1 9574072 ISAPCJAUIGILNW-UHFFFAOYSA-N 376.407 4.741 0 40 GJAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1sccc1-c1ccccc1 9678758 VAXTWUDSQCKXGS-UHFFFAOYSA-N 387.468 4.656 0 40 GJAB O=C(c1ccccc1Br)N1CCC(c2c[nH]c3ccccc23)CC1 10880631 RVWWNIPUZYILMF-UHFFFAOYSA-N 383.289 4.950 0 40 GJAB Cc1cccn2cc(COc3ccccc3C(=O)NC3CCCCCC3)nc12 11373893 GOGUVGCAMGIOIZ-UHFFFAOYSA-N 377.488 4.674 0 40 GJAB CSc1nc(C)c(CCC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c(C)n1 12777741 RALXOMGVJAYPNM-UHFFFAOYSA-N 385.577 4.704 0 40 GJAB COc1ccc([C@@H](NC(=O)Cc2csc(-c3ccccc3)n2)C2CC2)cc1 12855664 GKZBTENJDMCLCC-NRFANRHFSA-N 378.497 4.629 0 40 GJAB CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(Br)c1 12941894 SHFGWCOZFUIVLD-UHFFFAOYSA-N 380.311 4.645 0 40 GJAB CCCc1n[nH]c(S[C@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)n1 14075572 ITOIXKSXWRWROV-IBGZPJMESA-N 380.517 4.846 0 40 GJAB COc1ccc(C2(CNC(=O)/C(C)=C/c3ccccc3)CCCC2)cc1OC 16136523 KMLAZTKWLKAVBU-OBGWFSINSA-N 379.500 4.735 0 40 GJAB CSc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 16832775 DDKFJYQNFOIFRF-HNNXBMFYSA-N 388.920 4.553 0 40 GJAB CC[C@H](NC(=O)c1cc(-c2cccnc2)c2cnccc2n1)c1ccc(F)cc1 19500426 NULKVWVETUUACI-FQEVSTJZSA-N 386.430 4.712 0 40 GJAB COc1ccc(-c2noc(CCCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 19816440 LFYKACLSFRXJCD-UHFFFAOYSA-N 379.460 4.632 0 40 GJAB COc1ccccc1CN(C)C(=O)c1ccc(CN2CCc3ccccc32)cc1 20454068 HHGTWIDVKNHQGM-UHFFFAOYSA-N 386.495 4.530 0 40 GJAB COc1ccc2c(ccn2CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 20739021 CQFMYBCKAYNBBJ-UHFFFAOYSA-N 382.769 4.961 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 21580614 ORZDIXIBSVIBAC-NTEUORMPSA-N 399.450 4.899 0 40 GJAB CCOc1cc(CNCCN(C)C)ccc1OCc1ccc(Cl)cc1Cl 22075391 MKFHRHJZNOLRHQ-UHFFFAOYSA-N 397.346 4.622 0 40 GJAB O=C(CCN1CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1-c1ccccc1 23055005 JNMDDDZLSRMUFW-QGZVFWFLSA-N 376.422 4.957 0 40 GJAB COc1ccccc1[C@@H](CNC(=O)c1cccc(Cl)c1Cl)N1CCCC1 23692024 BITBGYHICWDXIP-QGZVFWFLSA-N 393.314 4.569 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)CCCSc1nc2ccccc2[nH]1 24861539 JWDUEHJZPFLUFY-UHFFFAOYSA-N 394.544 4.983 0 40 GJAB CC[C@@H](CNC(=O)c1ccccc1SCc1nc(C)no1)c1ccccc1 26391411 MNXFFGJRDJWAGZ-INIZCTEOSA-N 381.501 4.594 0 40 GJAB CC[C@H](CNC(=O)c1ccccc1SCc1nc(C)no1)c1ccccc1 26391416 MNXFFGJRDJWAGZ-MRXNPFEDSA-N 381.501 4.594 0 40 GJAB CCOc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCCO)cc1 26505958 WLTAKNOMIZDCNO-XDOYNYLZSA-N 388.920 4.884 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1cnn(Cc2ccc(F)cc2Cl)c1 28229246 VXQQXCPHPXKNJH-UHFFFAOYSA-N 394.233 4.638 0 40 GJAB CCN(CC)c1ccc(NC(=O)c2cccnc2SCc2cc(C)on2)cc1 29102622 WHRPLLQCFFKIEM-UHFFFAOYSA-N 396.516 4.769 0 40 GJAB CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 33534411 RLOYQHMWSVMPSX-KELBGUDLSA-N 385.592 4.533 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 36844867 PDBKTRUIKUMOMR-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB O=C(NC1CCCCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 39759295 HIQICFIHHSWHQK-UHFFFAOYSA-N 380.935 4.920 0 40 GJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(OC(C)C)cc2)cc1OC 44947743 SBOFQCZYQIGRHI-CQSZACIVSA-N 375.490 4.610 0 40 GJAB O=C(/C=C/c1cccs1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 49506116 DQVWNWNYYGPFLN-ACCUITESSA-N 388.492 4.993 0 40 GJAB CCOc1cc([C@@H]2SCC(O)=Nc3c2cnn3C)ccc1OC1CCCC1 49550257 TYUMTSLJECOIJE-IBGZPJMESA-N 387.505 4.564 0 40 GJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 59351474 CBYBLQWQFPKGSU-CABCVRRESA-N 376.294 4.711 0 40 GJAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)cc1 59418706 BLFYHABYCWKVGQ-NFJKTXFASA-N 399.877 4.742 0 40 GJAB FC(F)(F)c1nc(NCc2cccc(Cn3cccn3)c2)c2ccccc2n1 59734434 UFOIOIDZNNLTJI-UHFFFAOYSA-N 383.377 4.506 0 40 GJAB CCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc1 67294235 UCQMRTKUMZKJGG-LCUIJRPUSA-N 399.450 4.889 0 40 GJAB COc1ccccc1-c1cc(-c2ccc(OCc3ccccc3)cc2)nc(N)n1 71978110 BRTBRCBMTNFBTC-UHFFFAOYSA-N 383.451 4.980 0 40 GJAB CCN(CC)c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1N 72229271 BWLGBNWBLBHHKH-UHFFFAOYSA-N 396.716 4.783 0 40 GJAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(F)c3)C2)cc1 79112443 JPTHZKZPYYWXGJ-QFIPXVFZSA-N 394.471 4.674 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)N3CCc4cccc(C)c43)s2)cc1OC 89688973 DWMCRCMLAYXPLU-UHFFFAOYSA-N 394.496 4.647 0 40 GJAB O=C(c1csc(-c2ccccc2)n1)N1CCC(Oc2ccc(Cl)cn2)CC1 96024887 ZTBKMNQCRKGMOI-UHFFFAOYSA-N 399.903 4.542 0 40 GJAB CO[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(F)c1 96388253 OGDQNXWMDSCBBC-NRFANRHFSA-N 377.415 4.567 0 40 GJAB CC(C)(C)OC(=O)N[C@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)O 117047363 VOKBAUWCJDGAOW-QGZVFWFLSA-N 375.852 4.527 0 40 GJAB CCOC(=O)c1cn(Cc2ccc(C)cc2)c2cc(C(F)(F)F)ccc2c1=O 199734075 GNCLDAJVMPOQKN-UHFFFAOYSA-N 389.373 4.554 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1 223098576 HSKXNPWSPIAYDM-UHFFFAOYSA-N 393.814 4.785 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 223271027 LHAMIGUMURJRLI-LJQANCHMSA-N 395.543 4.869 0 40 GJAB Cc1ccc(-c2noc(CN(C)C(=O)COc3cc(C)ccc3C(C)C)n2)cc1 224693896 FSKJIUZQEHDYLM-UHFFFAOYSA-N 393.487 4.514 0 40 GJAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 225504075 CSUHPTDIXJYOJU-NRFANRHFSA-N 376.481 4.800 0 40 GJAB CC(C)c1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225727601 MOACVGGWJXQZAF-UHFFFAOYSA-N 399.288 4.526 0 40 GJAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)cc2Cl)cc1 225762260 JKLWLNBQHVNCSW-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CCOc1cc(CNC(=S)Nc2cccc(C(F)(F)F)c2)ccc1OC 225770197 MOAVPHKSWWAOLO-UHFFFAOYSA-N 384.423 4.599 0 40 GJAB CCCO[C@]1(C(=O)Nc2ccc(OCC)c(C(=O)OCC)c2)CCC[C@@H](C)C1 225853896 LXHMXDUWQVWUQO-OPAMFIHVSA-N 391.508 4.576 0 40 GJAB Ic1cccc(-c2nc3cc(-n4cccc4)ccc3o2)c1 226247190 IAHAKTFCZZCTDA-UHFFFAOYSA-N 386.192 4.890 0 40 GJAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(Br)cc2)cc1N 226266567 PRUSFNVPMXDLPC-ZDUSSCGKSA-N 388.309 4.662 0 40 GJAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 257277991 OAHSXIOUBKMTON-GOSISDBHSA-N 377.513 4.842 0 40 GJAB COCCCN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 409247595 DMFJOUYLJRRJKH-LFIBNONCSA-N 377.849 4.673 0 40 GJAB CC(C)CNC(=O)c1cc(NC(=O)Cc2ccc(Cl)s2)ccc1Cl 585079911 XZJOHQVGHVEDON-UHFFFAOYSA-N 385.316 4.622 0 40 GJAB O=C1CC[C@@]2(CCCN(c3ncnc4ccsc34)CC2)N1CC1CCCCC1 585100828 YDKBIXWFPLDHNG-JOCHJYFZSA-N 398.576 4.623 0 40 GJAB O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)N1CCC(c2ccon2)CC1 585101468 VGOFJRBDEXHWCD-HNNXBMFYSA-N 387.789 4.521 0 40 GJAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 687257 AKGRGWMCGLMXDT-CPNJWEJPSA-N 377.831 4.536 0 40 GJAB Cc1ccc(C)c(OCc2nn3c(Cc4ccc(Cl)cc4)nnc3s2)c1 1018201 AIXZBHBNEWCRRG-UHFFFAOYSA-N 384.892 4.626 0 40 GJAB Cc1ccc2cc3c(N)c(C(=O)Nc4ccc5c(c4)OCO5)sc3nc2c1C 1342908 JHBAMVCDCAPYPX-UHFFFAOYSA-N 391.452 4.630 0 40 GJAB Cc1c(C(=O)C(F)(F)F)c2c3c(C(=O)C(F)(F)F)cc(C)n3ccn2c1C 2316881 AWEGGSUTRRXKOR-UHFFFAOYSA-N 390.283 4.607 0 40 GJAB Cc1cccc(C)c1NC(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2725360 QXSINTIYJXUBKP-QGZVFWFLSA-N 386.757 4.766 0 40 GJAB Cc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(Br)c1 3314334 NBQBLVJLPQAYQY-UHFFFAOYSA-N 384.277 4.812 0 40 GJAB COc1ccc(CSc2nnc(-c3ccccc3Br)o2)cc1F 3445180 SYDHVVNUUGMHEI-UHFFFAOYSA-N 395.253 4.939 0 40 GJAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1C 4555243 GWJOUABBWXGQED-SANMLTNESA-N 399.490 4.619 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1c(C)cccc1C 4746980 WFUOYJWLSBZRSX-UHFFFAOYSA-N 383.300 4.746 0 40 GJAB Cc1cccc(-n2c(SCCN3CCCCC3)nnc2-c2cccnc2)c1C 4858617 KEOVLEPRENFBEO-UHFFFAOYSA-N 393.560 4.524 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)C[C@H](C)c3ccccc3)n2)c1 6558411 YZFDNJCEDDQIMM-AWEZNQCLSA-N 382.485 4.960 0 40 GJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N(C)Cc3ccccc3)c(C)c12 6759054 SGJMHGFNODDUOZ-UHFFFAOYSA-N 389.451 4.666 0 40 GJAB COc1ccc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1OC 6940766 FWKAJYKRAMROAD-UHFFFAOYSA-N 377.444 4.506 0 40 GJAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1cc(Cl)ccc1F 7909317 PKLLPVQKIRCKAU-INIZCTEOSA-N 389.883 4.864 0 40 GJAB COCc1c(C(=O)Nc2ccc(Br)cc2F)oc2ccccc12 7968976 JFCLXFPBDMKVNW-UHFFFAOYSA-N 378.197 4.733 0 40 GJAB C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1Cl 8303639 WUHQPYVPPCACQZ-CYBMUJFWSA-N 391.298 4.540 0 40 GJAB Cc1ccc([C@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2Cc2cccnc2)cc1 8846231 ARGCSCOYTKZWGX-QFIPXVFZSA-N 396.446 4.550 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)c2ccccc2Br)cc1 10542364 ZROIZOARLRUPRG-UHFFFAOYSA-N 376.294 4.599 0 40 GJAB Cc1cc(F)ccc1NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 10833717 KCZVAQPXCORSMC-UHFFFAOYSA-N 395.409 4.576 0 40 GJAB Cn1cc(Cl)c(C(=O)N2CCCCC[C@H]2c2cc(-c3cccs3)on2)n1 12185286 MOFDMJDHDFTLNC-AWEZNQCLSA-N 390.896 4.548 0 40 GJAB Cc1c(C(=O)N2CCC[C@@](O)(c3ccc(F)cc3)CC2)oc2c(C)cccc12 12251707 CXLYQNVLQPPRGD-QHCPKHFHSA-N 381.447 4.703 0 40 GJAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1OC 12563223 WYRPNVJIXYFYHT-CYBMUJFWSA-N 397.500 4.575 0 40 GJAB Cc1cc(-c2snnc2[C@@H]2CCCN(CC[C@H](C)c3ccc(C)o3)C2)on1 13227346 GYYQDWYCEHWADR-XJKSGUPXSA-N 386.521 4.776 0 40 GJAB COc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2C[C@H]2CCCO2)cc1 13806043 ZDNAZDAPSBKPLL-UXDFZSADSA-N 396.512 4.645 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2c(C)cccc2C)cc1 15109047 GFFNSEJGZOTNJQ-JOCHJYFZSA-N 386.451 4.861 0 40 GJAB CN(C)CCN(Cc1ccncc1)Cc1ccc(-c2ccc(F)c(Cl)c2)o1 19582717 FEBSVRCHSRGRCF-UHFFFAOYSA-N 387.886 4.698 0 40 GJAB COc1cc(CN(C)Cc2nnc(-c3ccccc3)o2)ccc1OC1CCCC1 19586416 FTBWQFWSKVFSIR-UHFFFAOYSA-N 393.487 4.699 0 40 GJAB O=C(Nc1cnn(Cc2ccccc2F)c1)c1cc(-c2ccc(Cl)cc2)on1 19661801 COCUUEMKQGBVME-UHFFFAOYSA-N 396.809 4.631 0 40 GJAB CC[C@H](CN1CCCC1)n1cncc1-c1c(C)nn(-c2ccc(F)cc2)c1C 19719652 ULKJRMAHSIACKM-LJQANCHMSA-N 381.499 4.539 0 40 GJAB COc1cccc2cc(C(=O)NCCSCc3ccc(Cl)cc3)oc12 19887845 QWBPQYUEVCZMHN-UHFFFAOYSA-N 375.877 4.758 0 40 GJAB CCc1nc2ccccc2n1CC(=O)OCc1cc2ccccc2nc1Cl 20084845 CEHHVFJKOVSAMA-UHFFFAOYSA-N 379.847 4.544 0 40 GJAB COc1ccc(NC(=O)c2cccnc2Nc2cccc(Br)c2)cc1 22072066 CJWTYGCBLUIOBK-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCCCC2)cc1C 22573939 KJJDZQXOWILBTI-UHFFFAOYSA-N 398.503 4.814 0 40 GJAB COc1cc(C2(CNC(=O)C3CCCCC3)CCCC2)ccc1OC(F)F 26700269 RYIKPZBJOVUIPK-UHFFFAOYSA-N 381.463 4.805 0 40 GJAB Cc1ccc2nc(NC(=O)c3ccc(Cn4nc(C)cc4C)cc3)sc2c1 27970524 SNKDTHBGBCGTBZ-UHFFFAOYSA-N 376.485 4.719 0 40 GJAB Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@H](c1cccs1)N1CCCC1 32762279 RVPRUSNEGICKKR-LJQANCHMSA-N 399.947 4.825 0 40 GJAB Cc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3c3ccc(F)cc3)c(=O)oc2c1 32901545 LYOXIYXZHFKILZ-OAQYLSRUSA-N 393.458 4.845 0 40 GJAB CC(C)Oc1ccc(CNC(=O)c2ccccc2OCc2ccccc2)cc1 36561612 PDXMSSLPFKCBRD-UHFFFAOYSA-N 375.468 4.983 0 40 GJAB CCOc1ccccc1NC(=O)COc1cc(C)nc(-c2ccc(Cl)cc2)n1 49006977 LZZWOGPNNYLEBL-UHFFFAOYSA-N 397.862 4.522 0 40 GJAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(Cc1cccnc1)C3 54313298 ZKDGVZQMMBNHEG-UHFFFAOYSA-N 384.435 4.516 0 40 GJAB biogenic CC[C@@H](NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 58009122 JBPCNQHUQHOSTO-GOSISDBHSA-N 394.943 4.945 0 40 GJAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 59351863 JLYUZKFHTSCMRO-CVEARBPZSA-N 385.504 4.646 0 40 GJAB COC(=O)N(C)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 65592280 JNUHIJNMXUDHSC-UHFFFAOYSA-N 389.455 4.569 0 40 GJAB FC(F)c1nc(Sc2nnc3sc4ccccc4n23)c2ccccc2n1 66452208 QCUQSUWMKXIPNB-UHFFFAOYSA-N 385.424 4.976 0 40 GJAB O=C(O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2F)o1 73638293 ILRDEONNMIRLLV-DUXPYHPUSA-N 390.002 4.709 0 40 GJAB O=C(Nc1ccc(N2CCCCCC2)cc1)Nc1cccc(-c2nnco2)c1 84374454 SHIPLZVHDWZMEM-UHFFFAOYSA-N 377.448 4.761 0 40 GJAB O=C(COCc1ccccc1)NC1(c2noc(C3CCCC3)n2)CCCCCC1 84539472 XCIRGIZMFILGFM-UHFFFAOYSA-N 397.519 4.610 0 40 GJAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 85342834 IRBFESUHTCLVBS-UHFFFAOYSA-N 398.871 4.627 0 40 GJAB O=C(Nc1cccc(Cl)c1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119102 IEVSKDKBVVLTSE-LBPRGKRZSA-N 388.880 4.863 0 40 GJAB O=C(NCCOc1ccc2ccccc2c1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 101110765 GOGBVWKIXQDRQU-TWVWUCKLSA-N 383.919 4.913 0 40 GJAB CCc1ccc(C2=C[C@@H](c3cc(Br)ccc3F)n3ncnc3N2)cc1 101668083 FOSVNSLAKJXTLM-SFHVURJKSA-N 399.267 4.798 0 40 GJAB aggregator COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 121518066 ZHOJTUFDYSZTHC-UHFFFAOYSA-N 396.874 4.978 0 40 GJAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(=O)O 215527330 FWHQLGVSMQLDTO-KRWDZBQOSA-N 393.842 4.667 0 40 GJAB O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccccc2F)CC1 222800578 SHSKCJWKHFDJGA-UHFFFAOYSA-N 376.475 4.507 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCCSc2ccc(Cl)cc2)cc1 222874907 GOPBSQLFOAJZOZ-LJQANCHMSA-N 377.937 4.968 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 223020046 BTJMJYBBXVYYOU-IBGZPJMESA-N 388.895 4.584 0 40 GJAB O=C(CSCc1c(Cl)cccc1Cl)NCCOc1ccc(F)cc1 223444208 PREYTFHSDJFZOH-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB O=C(CSCc1ccccc1Cl)NCCOc1ccc2ccccc2c1 223581675 OUGYTPFKUFHYNZ-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(CN2CCCCC2)cc1 223607704 LAARLKXYVSHYGU-UHFFFAOYSA-N 388.511 4.635 0 40 GJAB CCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224937255 ZUJLUSUROTXGLQ-OAHLLOKOSA-N 394.471 4.944 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 224985507 XACFUNVVRGUGTE-AWEZNQCLSA-N 388.895 4.664 0 40 GJAB Cc1cc(NC(=S)NCCCSCc2ccco2)ccc1Br 225593618 PYHSRGWFGQBHEL-UHFFFAOYSA-N 399.379 4.960 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCCCCC2)cc1 225683920 NXNJXVBLRSUGEZ-PGMHBOJBSA-N 380.488 4.588 0 40 GJAB O=C(CSc1nc2ccccc2s1)NCc1ccnc(-c2ccsc2)c1 225756271 ISJAGDIJXVAMOA-UHFFFAOYSA-N 397.550 4.828 0 40 GJAB O=C(CCc1nc(-c2ccccc2Cl)no1)NCc1cccc2ccccc12 225812273 PKAYCYALOCADAA-UHFFFAOYSA-N 391.858 4.792 0 40 GJAB O=C(c1ccc(-c2cccs2)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 245053580 PBILFSKQSQNHQJ-JOCHJYFZSA-N 388.536 4.688 0 40 GJAB COc1ccccc1N(Cc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 408623149 DGZMBSMRNGJTCQ-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2ccc(F)c(C)c2)cc1OC 408625781 YCVRXFQRVJXDFG-UHFFFAOYSA-N 396.256 4.946 0 40 GJAB C[C@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2ccncc2)cc1 539069820 ZQPJDICUCAMSGP-KKSFZXQISA-N 391.902 4.858 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@H]2[C@@H](C1)CN2CC1CCCCC1 585108045 XOMRSLXDYZPEBI-PDGJWGCVSA-N 386.967 4.557 0 40 GJAB c1ccc2c(c1)N(Cc1cc(C3CC3)no1)CCCN2Cc1cc(C2CC2)no1 660078897 WUKKBUICCHNDGW-UHFFFAOYSA-N 390.487 4.834 0 40 GJAB CCOc1cc(C(=O)Nc2ccccc2F)cc(Br)c1OCC 667564 HKIMYWFTWKNKSE-UHFFFAOYSA-N 382.229 4.638 0 40 GJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC 936414 NIJCLSSUPFLVSZ-MHWRWJLKSA-N 382.504 4.982 0 40 GJAB COc1ccc([C@H](Nc2cc(C)on2)c2c(C)[nH]c3ccccc23)cc1OC 1448684 KPJGFUBJBWRVFE-QFIPXVFZSA-N 377.444 4.991 0 40 GJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc2c(c1)OCCO2 2483661 BTWMGDRVBUHFAG-UHFFFAOYSA-N 388.448 4.987 0 40 GJAB CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Sc1ccccc1Cl 3049303 XPSUDEBHSZFILW-UHFFFAOYSA-N 385.876 4.828 0 40 GJAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)NC(C)C 3313082 SHGRFQPYYMRALU-UHFFFAOYSA-N 396.874 4.545 0 40 GJAB COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccc(Cl)cc1 3339696 JJGYSXICCWETPU-UHFFFAOYSA-N 383.860 4.897 0 40 GJAB CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)c2c[nH]c3ccccc23)cc1 3349403 DIQHAXNBJCSTMM-OAQYLSRUSA-N 375.516 4.672 0 40 GJAB COc1ccc(CCC(=O)OCc2csc(-c3ccccc3)n2)cc1OC 3391502 MWLDSMVSOBSIQS-UHFFFAOYSA-N 383.469 4.503 0 40 GJAB COc1cccc(NC(=O)[C@@H](OC(=O)c2c(F)cccc2F)c2ccccc2)c1 3396629 QAMBKVNWCJJYTN-FQEVSTJZSA-N 397.377 4.510 0 40 GJAB Cc1cc(Oc2ccccc2)nc(Oc2ccc(OCc3ccccc3)nn2)n1 3628093 BFGBYOZFTNKJSX-UHFFFAOYSA-N 386.411 4.739 0 40 GJAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)cc1OC 4062062 QZYSXKPKTXYODP-TUSQITKMSA-N 395.543 4.881 0 40 GJAB biogenic O=C(c1cccc(F)c1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 4273248 MAVSKAMEGSVKPU-UHFFFAOYSA-N 381.407 4.817 0 40 GJAB COc1ccc(N(C(=S)Nc2ccc(F)cc2)C2=NCC(C)(C)S2)cc1 4817133 UTCHEAVAXBUKMI-UHFFFAOYSA-N 389.521 4.919 0 40 GJAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccccc1 5399906 ZBETVULQFBJUCM-QGZVFWFLSA-N 398.462 4.948 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccccc1)c1ccccc1 6837929 SCIAKCUKYNRKLL-OAQYLSRUSA-N 375.424 4.540 0 40 GJAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@@H](C)CC)cc3)CC2=O)cc1 7079614 HVEMFGKNRFQOEN-WMZOPIPTSA-N 380.488 4.590 0 40 GJAB C[C@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1cc2ccccc2o1 7116439 MVVVSAMPAJCVLZ-LBPRGKRZSA-N 387.361 4.679 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 7612527 HZNMSVKVULHQLO-UHFFFAOYSA-N 384.479 4.974 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 7687151 YIMXUKXVYDXAAO-IBGZPJMESA-N 386.561 4.512 0 40 GJAB FC(F)(F)c1nnc2sc(CCn3c4ccccc4c4ccccc43)nn12 8990256 WLXDBEPBIBDEQJ-UHFFFAOYSA-N 387.390 4.555 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 9366489 FJFSGBNFJNOHBL-UHFFFAOYSA-N 397.544 4.832 0 40 GJAB CC(C)c1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccco1)C3 10156986 LPZNROQTAWSXHW-AWEZNQCLSA-N 390.418 4.560 0 40 GJAB O=C1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)c3cccc1c23 11851816 LZPPKAOHWZPSSY-UHFFFAOYSA-N 393.251 4.513 0 40 GJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 11968969 YTSNRGDCOKAHAP-UHFFFAOYSA-N 398.484 4.699 0 40 GJAB COc1cccc(CNc2ncc(-c3cc(C)no3)c(-c3ccoc3C)n2)c1 12251493 MWNFLCUOUFXZSU-UHFFFAOYSA-N 376.416 4.629 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 12576733 UJDQDVYHWSZJLA-UHFFFAOYSA-N 394.858 4.809 0 40 GJAB CCSc1nnc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)s1 12750077 HKDIWSLVAGMTLT-UHFFFAOYSA-N 388.499 4.772 0 40 GJAB Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3cccc4ccccc34)CC2)c1C 13709505 JFQKEHCEUVJYPY-FQEVSTJZSA-N 388.511 4.573 0 40 GJAB Cc1ncc(-c2ccncc2C)c([C@@H]2CCCCN2C(=O)c2csc(C)c2)n1 19571833 LAXHGEATGZGONM-FQEVSTJZSA-N 392.528 4.893 0 40 GJAB Cc1cccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1 20241728 YHZRZRHLDPOECJ-UHFFFAOYSA-N 385.511 4.570 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1Cl 20460497 OKGXGCPPKQWVNK-NSHDSACASA-N 382.243 4.576 0 40 GJAB COc1ccccc1O[C@@H](C)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 27664489 XCXCFACPLURJPM-LBPRGKRZSA-N 388.876 4.878 0 40 GJAB CCCCCOc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)c2ccccc12 28251891 DRPFDQLLAOIEBS-QGZVFWFLSA-N 375.534 4.829 0 40 GJAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccccc3C)c3ccccc32)cc1 28535226 LVFIRXPXSOCLJL-UHFFFAOYSA-N 383.451 4.781 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 30943708 UNWOBXVDRSACRZ-NQIIRXRSSA-N 384.951 4.690 0 40 GJAB CC1CCC(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)CC1 33170753 YMYVLPLVGAEGAN-UHFFFAOYSA-N 394.519 4.568 0 40 GJAB O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1Cc3ccccc3[C@@H]21 33780278 LPPJOZNFNZVIEJ-PCCBWWKXSA-N 386.407 4.764 0 40 GJAB COC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(C1CC1)nn2-c1ccccc1 36615379 DNIDWTQWDIECEP-UHFFFAOYSA-N 387.414 4.891 0 40 GJAB Cc1cc(C(=O)Nc2ccc(F)cc2C)c2c(C)nn(Cc3ccccc3)c2n1 36616096 PBOXIBIRJMZKMT-UHFFFAOYSA-N 388.446 4.796 0 40 GJAB Cc1ccc(CSCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39749221 CXWYMTCCOSFYQQ-UHFFFAOYSA-N 396.600 4.565 0 40 GJAB COc1cccc(C(=O)Nc2cc(Cl)c(OC(F)F)c(Cl)c2)c1OC 40148996 CNIACKMGNPKCLM-UHFFFAOYSA-N 392.185 4.864 0 40 GJAB O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1C1CCCCC1 40397277 RAHKHBDXCBMCBQ-UHFFFAOYSA-N 378.863 4.870 0 40 GJAB COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(OC)c3)[nH]n2)cc1OC 40935954 VYSKKXKOHPGCAR-NXZHAISVSA-N 392.455 4.785 0 40 GJAB biogenic,in-vitro O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2cccc(Cl)c2)CC1 44933003 OVLRFYRORQPSGJ-JOCHJYFZSA-N 382.935 4.746 0 40 GJAB COc1cccc(CN(C)C(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1OC 48263606 ZGYWQYHHQYAAEI-UHFFFAOYSA-N 392.499 4.726 0 40 GJAB O=C(N(Cc1ccco1)c1ccc(F)cc1F)N1CCC[C@H]1c1ccncc1 56675606 LAYLWGJSIARBBP-IBGZPJMESA-N 383.398 4.917 0 40 GJAB CC(=O)Nc1ccc(F)c(C(=O)OCc2nc3ccccc3c(C)c2Cl)c1 65027898 FOZJRNOKTLHSLZ-UHFFFAOYSA-N 386.810 4.651 0 40 GJAB O=C(c1ccccn1)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349238 RBHKHMLAHPLYHJ-GOSISDBHSA-N 391.902 4.741 0 40 GJAB CCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1OCCC 72414170 NMRDIDJNEBHALD-UHFFFAOYSA-N 383.897 4.718 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)CN2CC[C@H]2c2ccc(Cl)cc2)c1 84807837 VTZWLPILILASLA-IBGZPJMESA-N 388.895 4.523 0 40 GJAB CC(C)Oc1ccc(C(=O)/N=c2/sc3c4ccccc4ccc3n2C)cc1 100842401 GFGWYGDSGSLDLJ-GHVJWSGMSA-N 376.481 4.921 0 40 GJAB COc1ccc2nc(Nc3cccc(I)c3)sc2c1 105686639 RRZQWDTUPDVNTJ-UHFFFAOYSA-N 382.226 4.653 0 40 GJAB CCSc1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 219686488 RUYQCADTRVLVEE-LBPRGKRZSA-N 380.307 4.967 0 40 GJAB CC1(C)CCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc2O1 223659923 FKUJKSVURYZGPH-UHFFFAOYSA-N 386.300 4.898 0 40 GJAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1OC 224239029 OJKWWNHYBHIPPP-QGZVFWFLSA-N 391.467 4.774 0 40 GJAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COCc1ccccc1 224745426 PPMCXMQLJVZXET-UHFFFAOYSA-N 389.495 4.775 0 40 GJAB COc1ccc(NCc2cc(Br)c(O)c(Br)c2)cc1 225644989 CZGVPIZKHHFUCL-UHFFFAOYSA-N 387.071 4.538 0 40 GJAB CC(C)C[C@H]1CN(C(=O)CCc2ccc(O)cc2)CC[C@H]1Nc1ccccc1 257245465 IPQBPBGIDQZWIC-NZQKXSOJSA-N 380.532 4.700 0 40 GJAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 408579904 LGQFWLCVUQBDQL-UHFFFAOYSA-N 382.485 4.950 0 40 GJAB CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(C)N2[C@@H]1c1ccccc1 408987526 FOWZXLAAKWUMQM-HXUWFJFHSA-N 376.481 4.982 0 40 GJAB Cn1nccc1[C@H]1CCCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 505852871 BNGAKXDXHWCSJW-YADARESESA-N 398.510 4.705 0 40 GJAB C[C@H]1CN(C(=O)c2oc3ccccc3c2COc2ccccc2Cl)CCC1=O 506357532 RKUVLYVLKWJXKV-AWEZNQCLSA-N 397.858 4.716 0 40 GJAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccccc1Br 585146741 KFMDVJDDRCEPIC-ZDUSSCGKSA-N 376.275 4.666 0 40 GJAB COc1cncc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1 1610977934 LRMPRECDKPBMCA-UHFFFAOYSA-N 390.830 4.606 0 40 GJAB CC(=O)n1cc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)c2ccccc21 826620 VTBOAOVOLIMNGP-BKUYFWCQSA-N 380.403 4.799 0 40 GJAB CN(Cc1ccccc1-n1c(=S)[nH]c2ccccc2c1=O)C1CCCCC1 3350928 VXKREDIZZLJZBZ-UHFFFAOYSA-N 379.529 4.813 0 40 GJAB C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3c2C1 4147800 AVGDWGMFCDQOOP-CQSZACIVSA-N 392.480 4.907 0 40 GJAB Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(C)c(C)c3)co2)n1 4518816 MWGYYQOEFRPOGG-UHFFFAOYSA-N 387.482 4.533 0 40 GJAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(nc3ccccc32)N1 4735572 TYLZEJFEYXULHU-NRFANRHFSA-N 391.471 4.677 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)o2)cc1 5864426 KTUSADUJUDZYKS-UHFFFAOYSA-N 377.828 4.568 0 40 GJAB COc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1C 5960444 KTVJGKJTDQMORX-UHFFFAOYSA-N 399.082 4.781 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc2c(c1)OCO2 6216779 FAHJOHPGDWICHB-UHFFFAOYSA-N 378.453 4.670 0 40 GJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc2c(c1)CCC2 6647021 SAPCHFRVBIAYBP-UHFFFAOYSA-N 379.485 4.720 0 40 GJAB Cc1ccc(COc2ccc([C@H]3S[C@@H](C)C(=O)Nc4[nH]nc(C)c43)cc2)cc1 6678700 JHDKVXCGMPHQTH-MGPUTAFESA-N 393.512 4.769 0 40 GJAB COC(=O)[C@](Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F 6996263 PJDXUMJBKKWCEJ-QGZVFWFLSA-N 387.785 4.705 0 40 GJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccc2Cc2ccccc2)CC1=O 7398695 NTUAZVSOGCTOPV-XXBNENTESA-N 398.506 4.826 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccccc2)cc1 7709851 OMGYDLUIAGCUAM-UHFFFAOYSA-N 385.510 4.788 0 40 GJAB Cc1ccc2c(COc3ncnc4c(Cl)cc(Cl)cc34)cc(=O)oc2c1 8320589 LIGKIWPGEPRGIJ-UHFFFAOYSA-N 387.222 4.930 0 40 GJAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCc1ccncc1 12324238 UGXHPMUFPXHVGD-UHFFFAOYSA-N 378.284 4.750 0 40 GJAB CC(C)[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1nc2ccccc2[nH]1 12628033 IREHOFAKVNYOQZ-GOSISDBHSA-N 396.541 4.804 0 40 GJAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c(OC)c1 12696330 MERDSCMSATUIAW-QHCPKHFHSA-N 395.886 4.806 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 12793079 KUDWUQRXASCUMA-QAPCUYQASA-N 396.512 4.687 0 40 GJAB COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(C)s3)s2)cc1 12986938 QYSIWFRQHFIPOK-ZROIWOOFSA-N 391.905 4.906 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1Br 13135228 WISKFMYPJQSKBJ-UHFFFAOYSA-N 398.322 4.556 0 40 GJAB CCc1ccc(Nc2nnc(S[C@@H](C)C(=O)N3CCC(C)CC3)s2)cc1 13135281 DICTVPRXWTVENY-AWEZNQCLSA-N 390.578 4.583 0 40 GJAB Cc1ccsc1-c1nnc(C2CCN(Cc3ccc(F)c(F)c3)CC2)o1 19238721 ICJONLVVICRQKM-UHFFFAOYSA-N 375.444 4.764 0 40 GJAB c1ccc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)nc1 19401758 XPEGRLLMNFGMAH-LJQANCHMSA-N 377.444 4.583 0 40 GJAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCc1ccc(F)cc1)CO3 19882491 DHLDFEZMXGRKSE-UHFFFAOYSA-N 387.838 4.597 0 40 GJAB CC(C)c1ccc(/C=C/C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1 20529136 CCZXXMDXLFHZHQ-DHZHZOJOSA-N 389.484 4.628 0 40 GJAB CC(C)COc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCCC2)cc1 21148720 DWIYMQUEGWQTQY-JOCHJYFZSA-N 386.580 4.982 0 40 GJAB CCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3cc(C)ccc3nc21 21596593 LOCRMLMGBIZGMA-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB CCn1cc(C(=O)Nc2ccc(C)c(C)c2)c(=O)c2cc(C(F)(F)F)ccc21 22236733 WZTBPQVDYUJUJI-UHFFFAOYSA-N 388.389 4.909 0 40 GJAB O=C(NCCc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 22503279 GMITVXOKPHGZHF-UHFFFAOYSA-N 399.494 4.644 0 40 GJAB CCc1nc(COC(=O)Cc2csc(-c3cccc(Cl)c3)n2)cs1 22988250 NEWREMMDRJIHDR-UHFFFAOYSA-N 378.906 4.768 0 40 GJAB O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)C1(c2ccccc2)CC1 23239292 YJDONNCJVSUTAN-UHFFFAOYSA-N 396.534 4.652 0 40 GJAB S=c1n(CN2CCC[C@@H]2c2ccccc2)nc(N2CCCCC2)n1C1CC1 24992159 ICPAZLWWJODMNH-LJQANCHMSA-N 383.565 4.534 0 40 GJAB COc1ccc(-c2cc(NC(=O)c3oc4ccccc4c3C)on2)cc1OC 27985304 QKPRFJWAMUGBOU-UHFFFAOYSA-N 378.384 4.666 0 40 GJAB CCc1ccccc1NC(=O)c1c(N)n(C(=O)c2ccccc2)c2ccccc12 28535424 WKAVDKUPZGGQAX-UHFFFAOYSA-N 383.451 4.727 0 40 GJAB CCCCc1ccc2[nH]/c(=N\C(=S)NC(=O)c3ccc(C)c(C)c3)sc2c1 32118931 AZCQWKODYREQQA-UHFFFAOYSA-N 397.569 4.804 0 40 GJAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccnn1C1CCCCC1 32765683 QNUAKEZMRGNBBT-UHFFFAOYSA-N 392.459 4.593 0 40 GJAB Cc1nc(CSc2ccccc2C(=O)OCc2nc3ccccc3s2)no1 32905830 OQOXVBFNBUHUIZ-UHFFFAOYSA-N 397.481 4.637 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2cccc(F)c2[nH]1 33064195 PUFNXPSJLZNONC-UHFFFAOYSA-N 390.867 4.501 0 40 GJAB CCOC(=O)[C@H](C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 34152749 XCLXGCQTGNGHJQ-JTQLQIEISA-N 389.757 4.877 0 40 GJAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCC[C@H]2c2ccsc2)c1 40105537 YAKVWOXPZKPNGJ-SFHVURJKSA-N 399.516 4.504 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 40110676 FAEWYKDQKXIJMH-UHFFFAOYSA-N 385.423 4.767 0 40 GJAB Cc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079053 ZEPSVOZUFYJYQO-UHFFFAOYSA-N 388.442 4.979 0 40 GJAB O=c1oc2c3c(ccc2c2c1CCCCC2)OCN(Cc1ccc(F)cc1)C3 55393802 LUCYOXFYXGQPIV-UHFFFAOYSA-N 379.431 4.553 0 40 GJAB CC(C)(C)[C@H](NC(=O)NCc1ccc(N2CCCCC2)nc1)c1cccs1 58202274 DMZDKCHOBJHOOQ-LJQANCHMSA-N 386.565 4.720 0 40 GJAB CN(C)C(=O)[C@@H](Nc1nc(-c2cccs2)nc2ccccc12)c1ccccc1 64916015 KEWXCHNFYDHJNV-IBGZPJMESA-N 388.496 4.600 0 40 GJAB Cc1[nH]c2c(C)ccc(C)c2c1CCNC(=O)c1ccccc1Br 72265339 VIKXAZQVTOKEFY-UHFFFAOYSA-N 385.305 4.828 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72349584 DQQOMZCUYSNMEU-SFHVURJKSA-N 392.449 4.976 0 40 GJAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccccc3Sc3ccccc3)ccc2N1 78404111 HLAFMRZPSJHMHN-OAHLLOKOSA-N 396.537 4.995 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C)n2)C12CCCC2 79495418 CIVXLHSFBZBSFR-UTKZUKDTSA-N 391.515 4.679 0 40 GJAB Cc1nc(C(=O)OC[C@@H]2CCN(c3ccccc3)C2)c(-c2ccccc2)s1 95468011 NASIWRBKPAYNLP-QGZVFWFLSA-N 378.497 4.802 0 40 GJAB Cc1cc(C2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)[nH]n1 96011349 DEXWEAHTXWRCKZ-UHFFFAOYSA-N 375.501 4.774 0 40 GJAB O=C(CCn1ccc2ccccc21)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 96344512 IGFHBMSXCHIYOP-FQEVSTJZSA-N 375.447 4.846 0 40 GJAB O=S(=O)(N=[S@@](=O)(c1ccccc1)[C@H](F)c1ccccc1)c1ccccc1 100259001 WPXCCKAGGLDZDC-UQBPGWFLSA-N 389.473 4.571 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc(Br)c1 100934255 NKEZPWKLBKGRCC-RWQQGDIJSA-N 398.300 4.631 0 40 GJAB CCOc1ccc(NC(=O)NCc2ccc(C(=O)c3ccccc3)s2)cc1 211086249 OAHORWLDGZWDKK-UHFFFAOYSA-N 380.469 4.700 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1Cc1ccco1 223331330 HVOHMIZRZJSAMM-HOTGVXAUSA-N 375.906 4.562 0 40 GJAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 223412153 ZOBOOWLVRIQGSJ-OAQYLSRUSA-N 386.923 4.736 0 40 GJAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1CSc1ccc(Cl)cc1 224680344 WTUNYBXDQJEFJO-CQSZACIVSA-N 393.936 4.796 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)CCc3ccc(Cl)c(Cl)c3)ccc21 225126511 BNQKUBOGLFQNEI-UHFFFAOYSA-N 395.311 4.961 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)c3cc(C(C)C)c(OC)cc3C)ccc21 225128195 WXBWMTSMYHBEGM-UHFFFAOYSA-N 384.501 4.776 0 40 GJAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 225327695 FWSXTKWLOHWLCV-UHFFFAOYSA-N 397.733 4.928 0 40 GJAB Cc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 225342466 WAISIBSGZCPZDB-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C 225572523 LIQGEQHPDITTLQ-KRWDZBQOSA-N 385.479 4.998 0 40 GJAB CC[C@@H](CNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)Cc1ccccc1 225633318 ABDZCNRSBWSQPW-GOSISDBHSA-N 395.572 4.677 0 40 GJAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(F)c(Cl)c1 225740117 ANZHGWJTQYARKZ-CYBMUJFWSA-N 377.916 4.607 0 40 GJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225800012 SQYJYESQONEVBQ-VFNWGFHPSA-N 379.497 4.574 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 408556367 ICQUQRBUHBEVCQ-UHFFFAOYSA-N 393.814 4.867 0 40 GJAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1ccccn1 408621191 LMKRFKWCZJZCBC-PKNBQFBNSA-N 383.860 4.521 0 40 GJAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1Cl 408705704 LTFLYYXKFMEYON-GFCCVEGCSA-N 396.270 4.803 0 40 GJAB O=C(CSc1ccc(F)cc1)Nc1ccccc1-c1cn2c(n1)CCCC2 575619682 KEDPIDRXKRNCMZ-UHFFFAOYSA-N 381.476 4.756 0 40 GJAB CC(C)Cn1cc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cn1 608194185 KFQKHNFQBPKSKM-UHFFFAOYSA-N 385.471 4.644 0 40 GJAB Cc1ccc2[nH]c(C(=O)N[C@@H](C)Cc3cn(C)c4ccc(F)cc34)c(C)c2c1 1570314259 PPYZXZVWJLQEHL-AWEZNQCLSA-N 377.463 4.777 0 40 GJAB Cn1ccc(C(=O)N2CCc3ccc(Br)cc3C2)c1-c1ccccc1 1587283499 SVAFTNYOJUFTBV-UHFFFAOYSA-N 395.300 4.653 0 40 GJAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3)nc2c1 850289 VYLHXKNALAHMGB-UHFFFAOYSA-N 386.407 4.827 0 40 GJAB COc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C)c(OC)c1 875693 KVUBWIGPESOVJD-UHFFFAOYSA-N 382.485 4.600 0 40 GJAB CCc1c(C)nc2cc(-c3cccs3)nn2c1NCc1ccccc1OC 1341797 HCJZEEGMFNRCGX-UHFFFAOYSA-N 378.501 4.949 0 40 GJAB CCCc1nc(SCC(=O)N2CCCCCC2)c2c(C)c(C)sc2n1 1372215 CENPPZIBFRONAV-UHFFFAOYSA-N 377.579 4.755 0 40 GJAB Cc1sc2nc(SCc3cccc(Br)c3)n(C)c(=O)c2c1C 2263650 HZQDYKLDIXVISF-UHFFFAOYSA-N 395.347 4.667 0 40 GJAB O=C1C[C@@H](c2ccccc2Cl)Cc2nc(N3CCc4ccccc4C3)ncc21 2416563 ZTMQTUUPAQBIHX-KRWDZBQOSA-N 389.886 4.605 0 40 GJAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)c(C)o1 2637478 ZHMMDRJBLPDNFR-UHFFFAOYSA-N 381.453 4.843 0 40 GJAB CCOc1ccc(NC(=O)C[C@H]2Nc3cccc4cccc(c34)N=C2O)cc1 2889872 UFVAJRKNCQXGGR-LJQANCHMSA-N 375.428 4.649 0 40 GJAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)o1 3220151 PQYAEQIPUMGGMI-MRXNPFEDSA-N 379.412 4.873 0 40 GJAB Cc1ccccc1Nc1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 3280684 JUSAMSGKNSILIS-JGGQBBKZSA-N 390.578 4.623 0 40 GJAB O=C(CSc1nnc(-c2cccs2)o1)c1ccc(Br)s1 3343483 WAOGJBQKNZWYIG-UHFFFAOYSA-N 387.305 4.597 0 40 GJAB Cc1ccc(-c2csc(NC(=O)CSc3ncnc4sccc34)n2)cc1 3430031 DHMLMRHCZRWQBR-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccs3)nc12 4273241 XDSJXKLNAHGFRZ-UHFFFAOYSA-N 395.509 4.999 0 40 GJAB CCOC(=O)c1c(NC(=O)NC2CCCCC2)sc2c1CC[C@H](CC)C2 5476974 IYDMZRTWGICEML-ZDUSSCGKSA-N 378.538 4.894 0 40 GJAB COc1cccc(-c2cc(C(=O)Nc3nc(C)cs3)c3ccccc3n2)c1 5669772 NDWRXQFEBLWKTH-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB Cc1cccc(-n2c(SCc3c(C)noc3C)nc3ccccc3c2=O)c1 5937430 AKAYTSQINIBDEA-UHFFFAOYSA-N 377.469 4.591 0 40 GJAB O=C(N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21)C12CC3CC(CC(C3)C1)C2 5949058 HFLDOGSQQOTPAO-ATMJZUJQSA-N 389.495 4.880 0 40 GJAB COc1cccc(Nc2nnc(SCCOc3ccccc3F)s2)c1 6651080 ZZFLFGWAXKDXRP-UHFFFAOYSA-N 377.466 4.601 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(C)cccc4n3)c2)c(C)c1 6812922 BTJHGGHMCQNIFQ-UHFFFAOYSA-N 391.496 4.727 0 40 GJAB CN(C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 6834024 GSWIGBAGBSVXCO-UHFFFAOYSA-N 379.843 4.613 0 40 GJAB CCOc1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2OCC)cc1 6870336 FNGUFIALMZGJTI-UHFFFAOYSA-N 398.528 4.666 0 40 GJAB C[C@H]1C[C@@H](Sc2ncc(-c3ccc(F)cc3)n2Cc2ccccc2)C(=O)O1 8215893 ZZZAJMWAJMCLCB-IFXJQAMLSA-N 382.460 4.534 0 40 GJAB CCc1cc2c(SCc3cc(=O)oc4c(C)c(O)ccc34)ncnc2s1 8390584 GQICFKFIHAGCBZ-UHFFFAOYSA-N 384.482 4.666 0 40 GJAB O=C(c1cc(Cl)sc1Cl)N1CCN(c2cccc(Cl)c2)CC1 8706912 MTCTVTRITSQLQK-UHFFFAOYSA-N 375.708 4.671 0 40 GJAB CN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 8869647 RATMMVKBRAVTJZ-QFIPXVFZSA-N 397.430 4.547 0 40 GJAB COc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccccc2)cc1 9358042 TWFGNMLMXNPMAZ-HSZRJFAPSA-N 381.435 4.835 0 40 GJAB CSc1ccccc1C(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 9389635 JYYSUPFOUWWVKC-UHFFFAOYSA-N 399.903 4.917 0 40 GJAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(Cl)cc1Cl 9513835 CDVARDKEEDRQBP-SECBINFHSA-N 383.300 4.894 0 40 GJAB O=C(/C=C/c1cccc(Br)c1)N1CCc2[nH]c3ccccc3c2C1 9900303 PFASRSVPRBJCJW-CMDGGOBGSA-N 381.273 4.529 0 40 GJAB CC(C)[C@@H](NC(=O)N[C@H](c1ccccc1)C1CC1)c1ccc2c(c1)OCCO2 9936622 VEMOJOVJTWBZNL-FGZHOGPDSA-N 380.488 4.605 0 40 GJAB C[S@](=O)Cc1cccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)c1 10190803 SLZNKXLMNDUOIU-HHHXNRCGSA-N 396.493 4.687 0 40 GJAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)NOCc3ccccc3)sc2n1 10319062 KQKIPUXPFDHLEH-UHFFFAOYSA-N 377.469 4.565 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 10473024 NKSUSPIOCFTUQT-UHFFFAOYSA-N 388.895 4.504 0 40 GJAB CN(Cc1nc2ccccc2n1Cc1ccc(Cl)cc1)C(=O)c1ccco1 11667118 QLCGRSWLSVKEHK-UHFFFAOYSA-N 379.847 4.603 0 40 GJAB Cc1cc(SCC(=O)N2CCc3sccc3C2)c(C)cc1Br 12216369 XCWBGBRPVOZOKR-UHFFFAOYSA-N 396.375 4.804 0 40 GJAB CCc1ccc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc1 12552880 FJDWKRVTYXRXQM-UHFFFAOYSA-N 395.768 4.654 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 12796552 KAKYZIAIJPINKD-UHFFFAOYSA-N 393.535 4.530 0 40 GJAB Cc1cc(N/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)ccn1 12969875 YGVKZRGLLCDFEU-DEDYPNTBSA-N 389.842 4.683 0 40 GJAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1COc2ccccc2O1 14413448 HWTSWQGFSBZGLS-HXUWFJFHSA-N 381.815 4.911 0 40 GJAB Cc1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@H](/C=C/c1ccccc1)C3 14607723 GBOHPESERGMUMJ-IWAYRVGRSA-N 398.441 4.697 0 40 GJAB CC(C)c1cc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(C(C)C)c1O 15414445 SUVMMINLZBWCLC-NHCUHLMSSA-N 392.499 4.809 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2ccccn2)nc2ccccc12 15616332 PQJUQBZABSMIKR-UHFFFAOYSA-N 392.462 4.751 0 40 GJAB biogenic Cc1ccc2nc(CCc3ccc(NC(=O)CC[C@@H]4CCCO4)cc3)[nH]c2c1 19221549 JOEYDZYBIDKDDL-IBGZPJMESA-N 377.488 4.554 0 40 GJAB Cc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)CC2CCCCC2)n1 19558380 KISXXVKJVFWNIQ-IBGZPJMESA-N 382.508 4.691 0 40 GJAB O=C(Nc1cccc(F)c1)[C@@H]1CC(O)=Nc2cc(-c3ccc(Cl)cc3)nn21 20715049 AINBBHWRFOQKQM-INIZCTEOSA-N 384.798 4.514 0 40 GJAB C[C@@H]1c2ccsc2CCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 22242262 KDDCRVRIXXKMCY-LLVKDONJSA-N 379.407 4.936 0 40 GJAB O=C(Nc1ccc(F)c(F)c1F)c1csc(COc2ccc(F)cc2)n1 23079868 BRUFVFGKQLFDLZ-UHFFFAOYSA-N 382.338 4.531 0 40 GJAB C[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCc2ccccc2C1 23907592 IVZCABCKZRBUNT-HNNXBMFYSA-N 387.508 4.771 0 40 GJAB CC[C@H](NC(=O)c1cc(Br)c(O)c(OC)c1)c1ccc(Cl)cc1 24964788 OHMNOEAVSWFTDZ-AWEZNQCLSA-N 398.684 4.698 0 40 GJAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(Cn3ccnc3)c2)c1 25173312 HTEJELUKOJTPGO-UHFFFAOYSA-N 392.459 4.531 0 40 GJAB Cc1nc(NC(=O)[C@@H]2CCCc3ccccc32)sc1-c1nccn1C(F)F 25673539 ULYUGHXAYTYVMO-CQSZACIVSA-N 388.443 4.769 0 40 GJAB Cc1cc(OCC(=O)Nc2noc(-c3cccc(Cl)c3)n2)cc(C)c1Cl 32622729 FTFDZGRNYNMQMU-UHFFFAOYSA-N 392.242 4.678 0 40 GJAB O=C(Nc1cccc2cccnc12)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 32623266 FLJCPVJGXIYOQM-UHFFFAOYSA-N 385.206 4.900 0 40 GJAB COc1ccc(CN(CC[S@](=O)c2cc(Cl)ccc2Cl)C2CC2)cc1 32937545 SWTDUVHFBUYUMQ-RUZDIDTESA-N 398.355 4.774 0 40 GJAB CC1CCN(c2nccnc2Oc2ccc(C(=O)NC3CCCCC3)cc2)CC1 33170777 IORUHZHBQDEQKB-UHFFFAOYSA-N 394.519 4.568 0 40 GJAB CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 35598132 MFUJNUBNNTUDGR-UHFFFAOYSA-N 399.458 4.612 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1ccccn1 37866403 JWOMXMRGGBKCOY-LJQANCHMSA-N 388.810 4.591 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38849385 YNXDFTIXKWBIHV-OAHLLOKOSA-N 393.314 4.853 0 40 GJAB Cc1cccc(NC(=O)N2CCC[C@@H]2C2CCCCC2)c1C(=O)N1CCCC1 47519833 MYWWCZOJLUWXRI-HXUWFJFHSA-N 383.536 4.808 0 40 GJAB CCOc1ccc(CCC(=O)Nc2cccc(OCc3ccncc3)c2)cc1 55249680 ZMYQFDFIVHOLSG-UHFFFAOYSA-N 376.456 4.631 0 40 GJAB Cc1sc(CNC(=O)c2ccc[nH]c2=S)nc1-c1ccc(Cl)cc1 55426741 LYVPMSUFYHGQDD-UHFFFAOYSA-N 375.906 4.760 0 40 GJAB CC(C)CCc1nc(CS(=O)(=O)Cc2c(F)cccc2Cl)cs1 58223901 XTKORHQPRUBSPG-UHFFFAOYSA-N 375.918 4.639 0 40 GJAB CC(=O)c1cccc(O[C@@H](C)C(=O)NCc2ccccc2Oc2ccccc2)c1 60182930 JZUAIBYEMDCCIC-SFHVURJKSA-N 389.451 4.765 0 40 GJAB Cc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(Br)cc2)cn1 65491267 ITWMFQOFWXTABQ-OAQYLSRUSA-N 395.300 4.601 0 40 GJAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)cc3)oc12 67190094 BFTMKNYIXKTBIN-LCUIJRPUSA-N 399.450 4.938 0 40 GJAB Cc1cccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)c1C 71769102 OWCQKOKQCZGFPK-UHFFFAOYSA-N 388.496 4.973 0 40 GJAB Cc1cc(-c2cnc(SCC(=O)c3ccc(F)cc3)nc2-c2ccco2)on1 72342799 WQFMSTINZMCNHE-UHFFFAOYSA-N 395.415 4.814 0 40 GJAB O=C(c1cccnc1)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349130 DCIGXWQEKSSKTP-IBGZPJMESA-N 391.902 4.741 0 40 GJAB O=C(N[C@H](c1ccccc1)c1ccco1)c1ccc(N2CCCCCC2)nc1 95352912 DQHJDVMIYCOTMH-JOCHJYFZSA-N 375.472 4.574 0 40 GJAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(F)cc4)c(C)s3)C(=O)[C@@H]21 100965674 MXZBUTLPJRKJDV-AHCXZYCDSA-N 396.487 4.739 0 40 GJAB CC(C)c1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4cccnc4)C3=C(O)C2)cc1 102402294 YFDKDMBEMLIUAD-GCJKJVERSA-N 385.471 4.862 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)C[C@@H](c2cccs2)C1 102709909 URNTYBFRRNEZPE-MGNBDDOMSA-N 384.411 4.683 0 40 GJAB CO[C@H](C)c1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)c1 107158169 XROFCGQMCBLDGT-HVETUWLQSA-N 390.487 4.641 0 40 GJAB O=C(Cn1cccn1)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1 208007129 CKURYPVLUDVICX-UHFFFAOYSA-N 393.447 4.528 0 40 GJAB CC[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(C)c(C)c1 218819299 CZVUTERTWSHAQG-SFHVURJKSA-N 376.294 4.712 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccccc1C(C)C 222812994 QQEFMKPPUZRDPU-IBGZPJMESA-N 383.488 4.616 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1c2ccc(Br)cc2C[C@H]1C 222952397 BLVIACLLAFLKBU-SNVBAGLBSA-N 380.669 4.703 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 222984625 DCDKBQGELZNOLN-DYESRHJHSA-N 382.504 4.628 0 40 GJAB CCCc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2F)cc1 225195381 KGLDLXDQFURZNK-UHFFFAOYSA-N 395.927 4.860 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1 225578086 YWMNMXSWLKQXRD-SFHVURJKSA-N 398.528 4.761 0 40 GJAB O=C(c1ccccc1)N1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 257293053 QNYBWJUQEOJMJZ-QFIPXVFZSA-N 392.886 4.540 0 40 GJAB COC1(COc2cccc(Cl)c2)CCN(Cc2ccc3[nH]ccc3c2)CC1 257300985 RWLIHUVXNLGCRA-UHFFFAOYSA-N 384.907 4.881 0 40 GJAB O=C(O)c1ccc(CN2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)cc1 257334234 YFCNIBIKAUIGLZ-OAQYLSRUSA-N 394.446 4.830 0 40 GJAB CCOc1cc(C)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OCC 260781536 SYEHOGWYUVUIQA-GQWLDOHISA-N 397.544 4.777 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 408562240 YLEVZYKQNVEQTG-UHFFFAOYSA-N 379.787 4.558 0 40 GJAB CCCCOc1ccccc1C(=O)Nc1ccccc1I 408587171 RPMCYSSMVYTCTR-UHFFFAOYSA-N 395.240 4.722 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)cc1C 408671985 USQFBRTYSHGULS-FQEVSTJZSA-N 385.463 4.929 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccccc2)c(C)c1 408697830 JZRHXSDQHMVFOO-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1 408713789 XENXDYMVDOIUHC-UHFFFAOYSA-N 392.455 4.761 0 40 GJAB CCc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)cc1 409090047 QAKLYZZGXRJFQA-UHFFFAOYSA-N 386.908 4.522 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 592780876 SDTCVUWYPRKJRZ-INIZCTEOSA-N 388.653 5.000 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)N[C@H]1CCO[C@@H](c2cccs2)C1 653214696 SQFNILSADFXOFT-DZGCQCFKSA-N 385.316 4.774 0 40 GJAB CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)[C@@H]1CCc2nccn2C1 682477272 UIOLEYZBFSBPCJ-QGZVFWFLSA-N 397.519 4.750 0 40 GJAB Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3Cl)C2=O)cc1Cl 941245 YPBJUXVTASACRJ-UHFFFAOYSA-N 381.646 4.738 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 946428 HXQRHSRTXZQRJF-OAHLLOKOSA-N 378.472 4.557 0 40 GJAB CCOC(=O)c1cccc(Nc2cc(C)nc3ccc(C(=O)OCC)cc23)c1 952834 ZPPDPEUPQGKFLA-UHFFFAOYSA-N 378.428 4.640 0 40 GJAB Cc1cc2cc(C)c3nnc(SCC(=O)c4ccc(F)cc4)n3c2cc1C 1223237 VWWMMFKRVSQEBZ-UHFFFAOYSA-N 379.460 4.922 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 1413794 CDGORDSCDGLXJN-UHFFFAOYSA-N 390.464 4.995 0 40 GJAB CC(C)COP(=O)(OCC(C)C)[C@H](O)c1ccc(Br)cc1 1769942 WPIYAVAUNGBYJT-HNNXBMFYSA-N 379.231 4.978 0 40 GJAB CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)c1c(C)n(C)c2ccccc12 2111331 OIWZSCUMDYLGFR-UHFFFAOYSA-N 389.451 4.726 0 40 GJAB biogenic CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1CC 2226260 UEQCNYKWABNNDO-UHFFFAOYSA-N 398.507 4.706 0 40 GJAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 2238527 GPQCYZUYWCDEGL-QHCPKHFHSA-N 395.458 4.889 0 40 GJAB Cc1c(Br)c(C(F)F)nn1[C@H](C)C(=O)N(CC(C)C)CC(C)C 2775029 CTGSEUVMGZPADA-GFCCVEGCSA-N 394.304 4.593 0 40 GJAB CC(=O)c1cccc(NC(=O)c2ccccc2OCCOc2ccccc2)c1 3561847 LNQZFLVJZGMQFV-UHFFFAOYSA-N 375.424 4.599 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2cccc(Cl)c2)cc1 4585442 LOAXMOIJWFFFRP-UHFFFAOYSA-N 389.842 4.600 0 40 GJAB COc1ccc(OC)c([C@H]2O[C@H]3CCCC[C@H]3c3cc(OC)c(OC)cc32)c1 4783739 HUVLGXCTVIMPTE-RSDPBLMXSA-N 384.472 4.867 0 40 GJAB COc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(OC)c1OC 5577492 LWPLUMSQZBPDSQ-UHFFFAOYSA-N 379.412 4.757 0 40 GJAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)c(CC)nc3ccccc23)cc1 5781978 FNDLJDODRYPISE-INIZCTEOSA-N 390.483 4.852 0 40 GJAB O=C(N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21)C12CC3CC(CC(C3)C1)C2 5949056 HFLDOGSQQOTPAO-VVBQHCCFSA-N 389.495 4.880 0 40 GJAB Cc1cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c(C)n1C1CC1 6029659 JSFOKGPWOHSPRS-UHFFFAOYSA-N 398.557 4.878 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C 6553701 MSIHRQSZRFTLNQ-UHFFFAOYSA-N 382.382 4.894 0 40 GJAB C[C@H](Sc1nnc(NC(=O)[C@@]2(C)CC2(Cl)Cl)s1)c1ccccc1 6668102 NJTHDZUCENJQGB-LKFCYVNXSA-N 388.345 4.914 0 40 GJAB COc1ccc2nc(SCC(=O)N[C@H](C)c3cccc4ccccc34)[nH]c2c1 7241046 USYFTQGMURLPNJ-CQSZACIVSA-N 391.496 4.694 0 40 GJAB CCOc1ccc(-n2c(SCc3cc(C)on3)nnc2-c2ccccc2)cc1 7372023 NABDEPNDDABQRL-UHFFFAOYSA-N 392.484 4.922 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cn1 7383630 YGPWPVWPNLLSEC-UHFFFAOYSA-N 389.455 4.735 0 40 GJAB Clc1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)c(Cl)c1 7386547 BHLJAFQFEAWYFY-UHFFFAOYSA-N 388.283 4.785 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 7928847 KLZSNBZFLQVZQY-WMZHIEFXSA-N 399.490 4.793 0 40 GJAB CC(C)[C@@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc2ccccc2[nH]1 7987690 CCCAUUWRHSSPTL-JOCHJYFZSA-N 399.498 4.753 0 40 GJAB O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)NCc1ccccc1 8854322 HWBVSNBJHJNVDP-UHFFFAOYSA-N 388.945 4.948 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-c2ccccc2Cl)o1 9478723 RVLKTRRCCMADBU-QGZVFWFLSA-N 384.863 4.760 0 40 GJAB COc1ccc2cc(CNC(=O)N(C)Cc3ccc(SC)cc3)ccc2c1 10495065 VSOXCWOCFMCTDW-UHFFFAOYSA-N 380.513 4.912 0 40 GJAB CC(C)c1ccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 11914989 XASFTQIALDJSQC-UHFFFAOYSA-N 378.447 4.956 0 40 GJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cccc(Br)c1 12618196 RSCNQVFQDWHAJA-UHFFFAOYSA-N 389.224 4.815 0 40 GJAB Cc1cc(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)c2c(C)noc2n1 12801214 NKSLTLIBHZZNRK-UHFFFAOYSA-N 393.472 4.734 0 40 GJAB C[C@H]1C[C@@H](C)CN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)C1 13562826 SYIANJXEGMWYPP-IYBDPMFKSA-N 378.495 4.897 0 40 GJAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1cccc(F)c1 13758759 BCKNYLRTWVRYAH-BGWNEDDSSA-N 397.490 4.733 0 40 GJAB COc1ccc2c(CC(=O)Nc3ccnn3Cc3cccc(Cl)c3)coc2c1 14186105 XLBMOBFJAUTRLD-UHFFFAOYSA-N 395.846 4.521 0 40 GJAB COc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3ccc(OC)cc3)cs2)cc1 15535086 FGGHWSVUIQPMNA-FQEVSTJZSA-N 394.496 4.805 0 40 GJAB CCCc1cc(C(=O)N2CCC[C@H]2c2nc(C)ncc2-c2ccncc2)cs1 19525245 YJMPNHLINRWTOB-FQEVSTJZSA-N 392.528 4.838 0 40 GJAB Cc1ncsc1-c1nnc([C@H]2CCCCN2C(=O)c2csc(C)c2C)o1 19561881 RVSRTXHNHZPIJL-CQSZACIVSA-N 388.518 4.547 0 40 GJAB CCCn1nc(C)c(-c2cncn2CC2(c3ccccc3)CCOCC2)c1C 19654549 DCHULIFBXJYUAI-UHFFFAOYSA-N 378.520 4.522 0 40 GJAB Cc1nc(CC(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCCN3C)cs1 19713552 CCRWPUAUTINIMZ-FUDKSRODSA-N 397.588 4.601 0 40 GJAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC(F)(F)F)cc1)NCC2 20506906 LFJNYAXLIXMPPB-IBGZPJMESA-N 381.394 4.618 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc(Cc2ccccc2)s1 22739403 BKXWSEQQZAWTJL-UHFFFAOYSA-N 392.509 4.813 0 40 GJAB CC(C)CNc1nnc(SCC(=O)Nc2ccccc2C(C)(C)C)s1 23226676 DFZBKIOGHASMPJ-UHFFFAOYSA-N 378.567 4.634 0 40 GJAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCO2 23411103 DMFYCHVUBKFXDW-UHFFFAOYSA-N 384.284 4.637 0 40 GJAB COc1ccc2cc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)c(C)nc2c1 24715421 BDJKJKAQVBTXDA-GOSISDBHSA-N 382.460 4.658 0 40 GJAB O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc(C(F)(F)F)nc1 26435732 BACNIFSIDGUBPM-UHFFFAOYSA-N 382.338 4.720 0 40 GJAB COc1ccc(Nc2nc(-c3ccc4c(c3)C[C@@H](C)N4C(C)=O)cs2)cc1 26981050 WVMBTMRXTBRUKF-CYBMUJFWSA-N 379.485 4.860 0 40 GJAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(F)cc3Cl)cc2)n1 32578910 KMIWZUIOUACXET-UHFFFAOYSA-N 389.814 4.670 0 40 GJAB CCOc1ccc(-n2c(S[C@@H](C)c3nc(C)no3)nc3ccccc32)cc1 32905974 NUBGNOICBHGQHC-ZDUSSCGKSA-N 380.473 4.969 0 40 GJAB Cc1cccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3)n2)c1 33324985 JAFPEPVWLKSUDO-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(c2nc3ccccc3s2)CC1 35314163 QDGPMVYVZVJLKF-UHFFFAOYSA-N 395.572 4.598 0 40 GJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(C)c1 59351629 ZKLHBEBVNJFWNL-LSDHHAIUSA-N 376.294 4.711 0 40 GJAB Cc1c(C(=O)NCCc2cnn(-c3ccccc3)c2)sc2ccc(F)cc12 64709104 GWXHQZNPYCULIQ-UHFFFAOYSA-N 379.460 4.507 0 40 GJAB O=C(CSc1ccc(F)cc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635455 CEUPSDKHVDUODP-KRWDZBQOSA-N 399.409 4.537 0 40 GJAB CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 72238460 SFSAFGZOXCVXFM-GOSISDBHSA-N 390.405 4.511 0 40 GJAB CC1=C[C@@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 72320816 VJHAZZXGGCKJBR-ACRUOGEOSA-N 389.547 4.540 0 40 GJAB biogenic,in-vitro CCCCOc1ccc(-c2cc(C(=O)NCc3cccc(Cl)c3)[nH]n2)cc1 72331560 BFAPAGULURQHGB-UHFFFAOYSA-N 383.879 4.839 0 40 GJAB Cc1cc(-c2cnc(NCc3cccc(F)c3)nc2-c2cccnc2C)on1 72337264 YYKSZHQHVIXMBM-UHFFFAOYSA-N 375.407 4.562 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2)C12CCCCC2 79490113 HZOMXGBUPNABIJ-UTKZUKDTSA-N 391.515 4.761 0 40 GJAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1cccc(Oc2ccncc2)c1 84374595 ZOSPEYKFFNSTMN-UHFFFAOYSA-N 384.395 4.709 0 40 GJAB CC[C@@H](C)N(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)[C@H](C)CC 95997614 ZIMFJLJVHHJFTQ-IAGOWNOFSA-N 391.515 4.733 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1SC(C)C 219660120 ONSCQIQEPSZFPZ-UHFFFAOYSA-N 387.530 4.961 0 40 GJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 223204188 DCNSSAMZGCBHAK-MRXNPFEDSA-N 389.948 4.685 0 40 GJAB O=C(CSCc1cccc(Cl)c1)NCCOc1ccc2ccccc2c1 223581758 GXTNRSBXNGNEOD-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB Cc1ccc(CNC(=S)Nc2ccc(N3CCCc4ccccc43)nc2)cc1 223944484 VMWPFHXMIUDXOH-UHFFFAOYSA-N 388.540 4.961 0 40 GJAB COc1cc(C)c(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1C(C)C 224520547 MJBOVZIQTYMKLX-UHFFFAOYSA-N 380.532 4.653 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 226042227 OZCXGRFVBZNPLQ-UHFFFAOYSA-N 399.830 4.656 0 40 GJAB O=C(Nc1ccc(F)cc1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408693628 BEGZJZOTGAZCMG-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB CCCc1sc(=Nc2ccc(OC)cc2OC)[nH]c1-c1ccc(OC)cc1 408756848 UIUAIKLNVRVDQO-UHFFFAOYSA-N 384.501 4.954 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@H](C)Cc2csc3ccccc23)cc1OC 575621726 RVUMFCBIVJUUQA-SLZMIMFISA-N 381.497 4.679 0 40 GJAB CN1CCC[C@@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 585263056 XWVWLNRLKPZSLH-INIZCTEOSA-N 382.508 4.972 0 40 GJAB O=C(CC1CCC2(CC1)CCN(Cc1ccc(F)c(F)c1)CC2)N1CCCC1 2055830163 AUVDREBSJXTONC-UHFFFAOYSA-N 390.518 4.750 0 40 GJAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccccc1 1426312 HGWMJIRPGPPWJK-XMMPIXPASA-N 397.478 4.521 0 40 GJAB Cc1ccc([C@@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2264305 ZACYUMYSOOFCQF-NEKDWFFYSA-N 395.439 4.872 0 40 GJAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1sc2cc(Cl)ccc2c1Cl 2435938 FDTVYXFUMMGHBK-UHFFFAOYSA-N 378.240 4.630 0 40 GJAB COc1ccc(CNCc2ccc(OCc3ccccc3F)c(OC)c2)cc1 7538348 WZSDHKQDHOHMKK-UHFFFAOYSA-N 381.447 4.712 0 40 GJAB CC1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3cccs3)cc2)CC1 8161271 IAVQXDZSIJEFHH-HXUWFJFHSA-N 383.561 4.760 0 40 GJAB Cc1cccc(CC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1 8959085 AFFRYMPQFKPGDD-UHFFFAOYSA-N 394.515 4.584 0 40 GJAB COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1Cl 9063398 CKLNEVUCFJOQFT-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB COc1cc(SC)ccc1C(=O)Nc1nnc(C[C@H](C)c2ccccc2)s1 9095444 XQMPNOXLCOOCHM-ZDUSSCGKSA-N 399.541 4.867 0 40 GJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc2c(c1)OCO2 9175817 OOEDQJCGWUNDFL-UHFFFAOYSA-N 395.436 4.573 0 40 GJAB C[C@@H](C(=O)NCc1cccs1)n1c(COc2ccccc2)nc2ccccc21 9366021 YUQOJCUKEXMEAV-INIZCTEOSA-N 391.496 4.554 0 40 GJAB CC(C)(C)n1nnnc1S[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 9609753 BSNMILTXKOAZOV-LJQANCHMSA-N 391.500 4.626 0 40 GJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1C 9665557 XSWMXFNRPDDZJV-UHFFFAOYSA-N 394.544 4.627 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-c2ccc(Cl)cc2)o1 9909453 PIQOXBTWMUFDDZ-KRWDZBQOSA-N 384.863 4.760 0 40 GJAB c1ccc2c(c1)O[C@@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 10215126 IDJMWUPOOHOZJT-UWJYYQICSA-N 376.437 4.719 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 10957555 CBMGNMBPEYQWMI-UHFFFAOYSA-N 380.488 4.571 0 40 GJAB CC(C)(C)[C@H]1CCc2nc(NC(=O)COc3ccc(Cl)cc3)sc2C1 11917328 GBTGVEDKMUZQNT-LBPRGKRZSA-N 378.925 4.965 0 40 GJAB Brc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 13282004 VMIMTOBJPOLPFV-UHFFFAOYSA-N 391.228 4.991 0 40 GJAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc(-n3cccn3)cc2)n1 14677566 WTQIZFNDWJBTCE-UHFFFAOYSA-N 397.891 4.612 0 40 GJAB COc1ccc(Cl)cc1-c1nnc2sc(-c3cccc(Cl)c3)nn12 15083129 RSEDYCGEVFFCOL-UHFFFAOYSA-N 377.256 4.835 0 40 GJAB Cc1cccc(CSc2nc(=O)n(-c3ccc(Cl)cc3)c3c2CCC3)c1 15840485 AFOSAOSZDFLFJT-UHFFFAOYSA-N 382.916 4.975 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1Cl 20109067 SMCLISGBEXDTTK-GOSISDBHSA-N 389.879 4.930 0 40 GJAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 20143620 OYIYNMUZBQRSDU-UHFFFAOYSA-N 399.402 4.719 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 25075405 FHWCXWYVDKTLRE-UHFFFAOYSA-N 385.851 4.780 0 40 GJAB Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)NCc1ccco1 27912665 JZCCJVQGVLTGBK-UHFFFAOYSA-N 384.501 4.851 0 40 GJAB O=C1CN(C(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28047876 KANGBDWQTKWAEF-NRFANRHFSA-N 394.833 4.663 0 40 GJAB C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1cc(Br)cn1 28224136 SXSSOTSWWPSZOQ-ZETCQYMHSA-N 396.594 4.518 0 40 GJAB O=C(c1ccc2c3c(cccc13)CC2)N1CCC(c2nc3ccccc3[nH]2)CC1 29268519 KMJRLRQLOHXLHY-UHFFFAOYSA-N 381.479 4.835 0 40 GJAB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3cc(F)ccc3F)c(N)c12 32117838 WFLHDSRVDQINQW-UHFFFAOYSA-N 387.333 4.736 0 40 GJAB O=C(Nc1ccc(Cl)cc1F)c1nc(NCc2ccccc2)ncc1Cl 32932016 PYJKPKVHGPWLPA-UHFFFAOYSA-N 391.233 4.787 0 40 GJAB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCc2sccc2[C@H]1c1cccs1 36437946 MNVZAXASRIFKJS-AOMKIAJQSA-N 396.581 4.977 0 40 GJAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc(CN4CCCCC4)cc3)nc2C1 40088557 LOGQCUMDZBNCQE-UHFFFAOYSA-N 397.544 4.536 0 40 GJAB Cc1cc(C)n(-c2cccc(NC(=O)c3c(-c4ccc(F)cc4)noc3C)c2)n1 40134051 ACAACIBKLRHLKU-UHFFFAOYSA-N 390.418 4.844 0 40 GJAB Cc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c(C)cc1Br 54363208 VCPVJHYRYSGNBK-UHFFFAOYSA-N 376.360 4.559 0 40 GJAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cc(C)ccc3C)n2)cc1 57519812 WLTPSIRUPWLCPW-UHFFFAOYSA-N 393.512 4.808 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)cc3C)C2=O)cc1 59419013 JYAUGFFOHNYHQS-XDHOZWIPSA-N 382.485 4.808 0 40 GJAB CCC[C@@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 60368303 DVVNRJVFTVGMAE-IUODEOHRSA-N 388.430 4.576 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)N[C@H]2CCc3ccccc32)cc1Cl 72329355 QXQZHWIFHKESKN-SFHVURJKSA-N 381.863 4.546 0 40 GJAB c1ccc(-c2csc3nc(C4CC4)nc(N4CCc5cncnc5C4)c23)cc1 95394218 LFIGHPCACIDHDS-UHFFFAOYSA-N 385.496 4.588 0 40 GJAB CC(C)n1cc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccccn2)c2ccccc21 100148915 FMILMRXZAGAZQI-NHCUHLMSSA-N 389.543 4.737 0 40 GJAB C[C@]12CC3CC(Nc4nc(N5CCOCC5)nc5ccccc45)(C1)C[C@](C)(C3)C2 100365217 NEQKRQNJWVQPQG-YMZQTHOJSA-N 392.547 4.627 0 40 GJAB CC(=O)c1ccccc1NC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102188867 ZEZKJQAXOQTEND-SNEKZUEESA-N 390.321 4.952 0 40 GJAB COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223321416 YWYPPVCRNYZTGQ-SJORKVTESA-N 385.504 4.780 0 40 GJAB CCCc1ccc(OCCNC(=O)CSCc2cccc(Cl)c2)cc1 223405492 GRFHOSSTLLNAGX-UHFFFAOYSA-N 377.937 4.721 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCCOc2ccc3ccccc3c2)c1 223641105 JLHZGQMWTGFCPC-UHFFFAOYSA-N 377.484 4.846 0 40 GJAB Cc1nc(NC(=S)NCCCc2ccccc2)c(Br)cc1Cl 223960753 AVEQFWVHQUMIMN-UHFFFAOYSA-N 398.757 4.725 0 40 GJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)s2)c1 224518684 XGDYSJLKMQLJPU-MOPGFXCFSA-N 381.526 4.637 0 40 GJAB CCOc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COC 224690669 YTOAQHAKTHHPTI-UHFFFAOYSA-N 375.468 4.751 0 40 GJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCC(C)CC3)o2)cc1 224911861 WRWYYSVMZHVXFT-UHFFFAOYSA-N 376.456 4.889 0 40 GJAB Cc1cc(C)c(NC(=O)c2ccc(C)cc2I)c(C)c1 225016534 KHYGIBVASYJKTO-UHFFFAOYSA-N 379.241 4.777 0 40 GJAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225754980 SOOWOHNHFQRWAI-QGZVFWFLSA-N 381.545 4.669 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225802216 GRIAZFITXJKVGG-AOMKIAJQSA-N 393.524 4.965 0 40 GJAB C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 253531398 CVNYHSDFZXHMMJ-YUWXQGNLSA-N 390.564 4.686 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)CC2CC2)[C@H]1c1cccs1 257173369 LMIAJHBXYYXDAL-LEWJYISDSA-N 396.556 4.553 0 40 GJAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 408628190 QODFGGOTRPQVIY-INIZCTEOSA-N 397.544 4.591 0 40 GJAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1Cl 408705705 LTFLYYXKFMEYON-LBPRGKRZSA-N 396.270 4.803 0 40 GJAB Cc1ccccc1CSCC(=O)NCCSCc1ccccc1Cl 408870048 VAEFRUAPBVRUEG-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB CCCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1 409095896 IYKQBDOFYITIBN-UHFFFAOYSA-N 380.517 4.703 0 40 GJAB O=C1C[C@H]2[C@H](CCN2CC2CCCCC2)N1Cc1c(Cl)cccc1Cl 585109065 RRKCPYIDRQMDBP-OALUTQOASA-N 381.347 4.749 0 40 GJAB COc1cc2sc(NC(=O)[C@@H](CCSC)n3cccc3)nc2cc1Cl 604419410 MKXDEZOBSUWABM-CYBMUJFWSA-N 395.937 4.693 0 40 GJAB Cc1ccc(CNCc2ccc(Br)c(Br)c2)cc1F 675075541 RPDRCGXHMVXJOF-UHFFFAOYSA-N 387.090 4.949 0 40 GJAB COc1ccc(C)cc1C(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 2037977973 BQJKWHOJOOOVGY-DEOSSOPVSA-N 396.506 4.806 0 40 GJAB C[C@H](O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1 642789 ZVRBXEOJODKIFK-VIFPVBQESA-N 399.082 4.517 0 40 GJAB O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)C(F)(F)F 819770 LLZYTRCEGWSLFK-UHFFFAOYSA-N 385.139 4.758 0 40 GJAB CC1(C)OC(=O)N(c2ccccc2)[C@@]12C=Cc1cc(Br)ccc1O2 841165 WCSNQKBIHGGNKD-LJQANCHMSA-N 386.245 4.986 0 40 GJAB Cc1ccc(NCc2nnc(SCC(=O)Oc3c(C)cccc3C)o2)c(C)c1 870441 JKZDWZSXVAJJBX-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB COc1cccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)c1 912330 SGAWTXRDEHOZMN-GFCCVEGCSA-N 399.541 4.556 0 40 GJAB Cc1ccc(C(=O)n2ccc(-c3ccc(-n4cnc5ccccc54)cc3)n2)cc1 1390326 YXONGRGUOOIJIH-UHFFFAOYSA-N 378.435 4.886 0 40 GJAB CCS(=O)(=O)c1ccc(-c2csc(-c3ccncc3)n2)c(Cl)c1Cl 1393807 STMRTBZTCVSJLB-UHFFFAOYSA-N 399.324 4.973 0 40 GJAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 3231220 RVWRXDXXOXHTEZ-ZDUSSCGKSA-N 390.270 4.894 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 3423678 HYODNRFZANUKQN-OAHLLOKOSA-N 391.298 4.793 0 40 GJAB CC(=O)Oc1ccc(Cl)cc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 4223216 NOAVEGLHKGCBAU-JXMROGBWSA-N 381.815 4.909 0 40 GJAB Cc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccccc2)c1 4518079 NXDVSDXLKCPLIE-UHFFFAOYSA-N 375.476 4.552 0 40 GJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(nc3ccccc32)N1 4735582 QMGCHOHRMBHISJ-OAQYLSRUSA-N 391.471 4.677 0 40 GJAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccc(F)cc1 5164809 OYPVOPCWDLCKSV-BKULYWANSA-N 397.490 4.733 0 40 GJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(C)c2)cc1 5256206 KNCOUPSGRDSPES-QFIPXVFZSA-N 375.472 4.832 0 40 GJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(C)cc2)cc1 5256207 HHVJXEMZJPWAMC-JOCHJYFZSA-N 375.472 4.832 0 40 GJAB COc1ccc(NC2=NN=C(c3ccc(NC(=O)CC(C)C)cc3)CS2)cc1 5862772 CFLJGQIECKYSGX-UHFFFAOYSA-N 396.516 4.599 0 40 GJAB O=C(Oc1nsnc1N1CCCCC1)N(c1ccccc1)c1ccccc1 6597438 IHPLCSYLYJJBMV-UHFFFAOYSA-N 380.473 4.866 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)c3cc4c(s3)CCC4)n2)c1 6787920 JQSFLDIWRKWTRX-UHFFFAOYSA-N 386.498 4.630 0 40 GJAB Cc1ccc(Cl)c(NC(=O)COC(=O)CSc2ccccc2)c1Cl 6886845 ZNIIYCYMQXGJQY-UHFFFAOYSA-N 384.284 4.576 0 40 GJAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@H](C)CC)cc3)CC2=O)cc1 7072438 HVEMFGKNRFQOEN-AEFFLSMTSA-N 380.488 4.590 0 40 GJAB Cc1ccc(NC(=O)CN(C)Cc2csc(-c3ccc(Cl)cc3)n2)cc1 7490416 KGHOYKGAGONDGM-UHFFFAOYSA-N 385.920 4.842 0 40 GJAB C[C@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 7554602 FDWYTTUXNGQTBD-OWVOXGNYSA-N 398.311 4.877 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCc3ccccc3)cc12 7609070 YQINTXQSWUHMQC-UHFFFAOYSA-N 393.487 4.566 0 40 GJAB COc1ccc(C(C)=O)cc1CSc1nnc(Cc2cccs2)n1C1CC1 7843405 ZHAQVJNDASQCQQ-UHFFFAOYSA-N 399.541 4.769 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCC[C@H]2c2cccs2)cc1 8036749 SAORPMSRLCFXAZ-FQEVSTJZSA-N 396.512 4.838 0 40 GJAB CCNCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 8227148 KVQWWLFNSYSMOT-UHFFFAOYSA-N 384.701 4.800 0 40 GJAB CCc1noc(C)c1C(=O)Nc1c(-c2ccc(F)cc2)nc2cc(C)ccn12 8231140 RAVKIIVCDHFFFD-UHFFFAOYSA-N 378.407 4.560 0 40 GJAB COc1cccc(CNCCCN(C)C)c1OCc1ccc(Cl)cc1Cl 8373899 DBLMBFIMLWDLAY-UHFFFAOYSA-N 397.346 4.622 0 40 GJAB COc1ccc2oc(-c3cc(Br)c(N)c(Br)c3)nc2c1 8702113 KOAQYPQFZNHGQB-UHFFFAOYSA-N 398.054 4.611 0 40 GJAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)Nc4nccs4)c(C)c3cc2c1C 8879263 CDKRGMOPQJDVFA-UHFFFAOYSA-N 396.468 4.801 0 40 GJAB biogenic CC(C)c1ccc(O[C@@H](C)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 10469515 CPOOIMNUDWAHLB-HTAPYJJXSA-N 383.488 4.774 0 40 GJAB COC(=O)c1c(NC(=O)CCSCc2ccccc2)sc2c1CCCC2 10613583 NYGBYSYDWXKFAB-UHFFFAOYSA-N 389.542 4.676 0 40 GJAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc4ccccc34)ccc21 10972314 XFHLQXAOCPNYDB-UHFFFAOYSA-N 388.467 4.864 0 40 GJAB CN(Cc1nc2ccccc2n1Cc1cccc(Cl)c1)C(=O)c1ccco1 11667117 SBPSRHRZDDIMLO-UHFFFAOYSA-N 379.847 4.603 0 40 GJAB COc1cccc(OCc2noc3cc(OC(=O)c4cccs4)ccc23)c1 11854132 PRFKFCIHDWTPGP-UHFFFAOYSA-N 381.409 4.696 0 40 GJAB CCOC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 12413598 WPTARZQBSGOZSK-NSHDSACASA-N 397.258 4.968 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 12515748 LJEADFLNNWTRBO-UHFFFAOYSA-N 388.895 4.965 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(F)c(F)cc1Cl 12600596 ZBROKKOICDIZPD-QFSBIZTOSA-N 388.838 4.779 0 40 GJAB Cc1ccc(-c2nc(CSc3nnnn3-c3ccc(C)cc3C)co2)c(C)c1 12777560 OWVUFYVHPRSHHO-UHFFFAOYSA-N 391.500 4.843 0 40 GJAB COc1ccc([C@@H](NCC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2)cc1 12920920 BWWCGMCKRBVLEJ-VWLOTQADSA-N 386.495 4.502 0 40 GJAB COc1ccc(NC(=O)CSCc2ccc(Cl)s2)cc1OC(F)F 13007216 ZDZNWOXMCQKJFP-UHFFFAOYSA-N 393.864 4.883 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13685437 RIEBTQISQCVLCW-IRXDYDNUSA-N 390.483 4.774 0 40 GJAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(OC)c(OC)c1 14083425 SLJSYKISFIRKIA-UHFFFAOYSA-N 389.908 4.928 0 40 GJAB CC(=O)c1sc(NC(=O)c2nc(Cl)ccc2Cl)nc1-c1ccccc1 14658347 RIZIUECAOOYDMG-UHFFFAOYSA-N 392.267 4.967 0 40 GJAB CCCCCOc1ccc([C@@](C)(O)[C@H](CN2CCOCC2)c2ccccc2)cc1 15942317 PATRGQJCCXOKSK-JWQCQUIFSA-N 397.559 4.579 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cn1 16322403 QTKALKYHFWGRCM-MRVPVSSYSA-N 390.064 4.557 0 40 GJAB Cc1cc(C)c2c(C3CCN(C(=O)C4CCCC4)CC3)nn(CC(C)C)c2n1 19118888 LTUWVFNEPJOKGO-UHFFFAOYSA-N 382.552 4.600 0 40 GJAB O=C1c2ccccc2N[C@H](c2cc(Cl)cc3c2OCOC3)N1c1ccccc1 19625198 LTGUUHFSNQYWRO-NRFANRHFSA-N 392.842 4.978 0 40 GJAB O=c1cc(CN2CCC[C@@H]2c2cccs2)nc2scc(-c3ccccc3)n12 21473124 NRUIMKAXLOYOMA-QGZVFWFLSA-N 393.537 4.822 0 40 GJAB CCc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2)no1 21524642 HADSJBKSBNWKPY-UHFFFAOYSA-N 399.450 4.984 0 40 GJAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 21787538 PWVUUQSMYFSZLK-NRFANRHFSA-N 397.906 4.842 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 22245361 BVHNGHAZLPCIML-UHFFFAOYSA-N 395.484 4.648 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 24707558 IKUVXBZWHXDYOJ-UONOGXRCSA-N 390.936 4.988 0 40 GJAB O=C(CCOc1ccc(F)cc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 24861873 MAWUZRNHMMJLBX-UHFFFAOYSA-N 393.418 4.877 0 40 GJAB CCc1ccc([C@@H](CNC(=O)c2ccc(OCC(C)C)cc2)N2CCCC2)cc1 28292804 VCPVRARNYHZNRG-XMMPIXPASA-N 394.559 4.851 0 40 GJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1cccc(OC(C)C)c1)CC(O)=N2 32093769 OLSSVEUHUDSLPD-HNNXBMFYSA-N 397.866 4.535 0 40 GJAB CCc1nc2ccccc2n1C[C@H](C)C(=O)Nc1nnc(C2CCCCC2)s1 35322641 NFDLJMJYOGSCSB-AWEZNQCLSA-N 397.548 4.773 0 40 GJAB CC1CCN(C(=O)c2cccnc2Oc2ccc(F)cc2Br)CC1 40142821 MUCPAHUSKMCIGW-UHFFFAOYSA-N 393.256 4.648 0 40 GJAB C[C@H](NC(=O)c1ccccc1N(C)C(=O)C1CC1)c1ccc(Cl)cc1Cl 40144707 BTTIIOVUULKPTE-LBPRGKRZSA-N 391.298 4.857 0 40 GJAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cc(C)ccc1OC 41076937 GOUFODVRTUPYAF-UHFFFAOYSA-N 393.487 4.516 0 40 GJAB CC(=O)Nc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(C(F)(F)F)c1 43949766 ZBKQLLDZMJGLBW-UHFFFAOYSA-N 395.425 4.754 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CCCC[C@@H]1C(F)(F)F 44874316 AKQKBHFLQDGQJS-NEPJUHHUSA-N 398.406 4.846 0 40 GJAB COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 46078459 WGCWVJDOZPOVDW-UHFFFAOYSA-N 386.451 4.541 0 40 GJAB CCOc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)n[nH]2)cc1 51315704 ZZSIBFSGKRLTCE-UHFFFAOYSA-N 389.499 4.570 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1Cl 51364569 PTERAOYEYWVRFV-QGZVFWFLSA-N 378.859 4.807 0 40 GJAB CCN(CC)c1ccc(NC(=O)c2csc(Nc3cccc(C)n3)n2)c(C)c1 62022562 LVWXBEYJDQUFNT-UHFFFAOYSA-N 395.532 4.997 0 40 GJAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1c(F)cccc1Cl 72332433 DZARRXDCIBYXPP-GOSISDBHSA-N 385.826 4.681 0 40 GJAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)CCC3CCCC3)n2)n1 72375244 DKNMTDUCJCLGNL-HXUWFJFHSA-N 393.535 4.866 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](c1ccccc1)N1CCCCC1 72427756 GFWZFHQXKQZFMQ-OAQYLSRUSA-N 389.499 4.607 0 40 GJAB CCSCc1ccnc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c1 95976909 LUUUBVVJTCTJFV-UHFFFAOYSA-N 399.541 4.931 0 40 GJAB NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 100657959 CAZWWHILWICBGC-CALCHBBNSA-N 398.572 4.971 0 40 GJAB CCOc1ccccc1C(=O)Nc1c(NC2CCCC2)c2ccccc2oc1=O 101095307 SYOZCJVSWPRRPY-UHFFFAOYSA-N 392.455 4.799 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2ccsc2)c1[C@@H]1C(=O)Nc2c(Cl)cccc21 101632074 LSGKSDVEUIUGAH-CQSZACIVSA-N 386.860 4.576 0 40 GJAB CN(Cc1cc(Cl)nc(Cl)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108067871 KTTXLQBMHDBRTG-CJNGLKHVSA-N 392.113 4.785 0 40 GJAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc12 222605394 HVJPBATYAZHAOO-CQSZACIVSA-N 385.847 4.806 0 40 GJAB CC(C)(Cc1ccccc1)NC(=O)CSCc1ccc(Br)cc1 223181129 KFIKZKRIJSQJQM-UHFFFAOYSA-N 392.362 4.820 0 40 GJAB CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2F)sc2c1CCCC2 223847757 CLYIXJYGOSBSPF-UHFFFAOYSA-N 395.883 4.777 0 40 GJAB O=C(Nc1ccc(Br)cc1F)c1cnn(-c2ccc(Cl)cc2)c1 224056708 COOOUMGWMMFKKI-UHFFFAOYSA-N 394.631 4.680 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)[nH]1 224455160 ZBYAFCZDBRJKOE-MOPGFXCFSA-N 382.920 4.857 0 40 GJAB CC(C)(C)c1ccc(CCC(=O)NCc2cccc(CN3CCCC3)c2)cc1 224611170 ASZHXAVYJUXVPX-UHFFFAOYSA-N 378.560 4.829 0 40 GJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCC2)cc1 224917368 DHWJSABCROZPMK-UHFFFAOYSA-N 385.316 4.536 0 40 GJAB Cc1nc(-c2ccccc2)ncc1C(=O)NC(c1ccccc1)c1ccccc1 225792474 JRBXBMXKUNBFGR-UHFFFAOYSA-N 379.463 4.971 0 40 GJAB Cc1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1Cl 225810671 DPCVXYSZAYADPQ-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB O=C(Nc1ccc2nc(Cc3ccc(Br)cc3)oc2c1)C(F)(F)F 226271080 MLZPOIOLUJTBAR-UHFFFAOYSA-N 399.166 4.682 0 40 GJAB CCCCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cccc(F)c1 257311311 UIWSTKJXOZMJBV-RXVVDRJESA-N 381.488 4.525 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260816737 PHJVMOVURMATTA-CVDCTZTESA-N 390.568 4.721 0 40 GJAB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)OC[C@H](N)CO 299888273 CKNOUMOYIGNOBN-FHTDAKRTSA-N 377.569 4.995 0 40 GJAB Cc1ccnc(NC(=O)c2nc(-c3ccn(C4CCCC4)c3)n3ccccc23)c1 306134613 NTMWCBDAPPBROM-UHFFFAOYSA-N 385.471 4.874 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)cc1 408694763 MIDMVQKPMCGKES-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1cccc(Cl)c1 408706350 FPTQIKVZOHYDIP-IBGZPJMESA-N 393.936 4.556 0 40 GJAB CCOc1cc(CNc2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 409118202 ZGNSUVCKRXBWSH-UHFFFAOYSA-N 397.496 4.774 0 40 GJAB O=C(N[C@H]1CCc2c[nH]nc2C1)c1sc2cc(C(F)(F)F)ccc2c1Cl 531830620 BFWFEEMSXVXPOE-JTQLQIEISA-N 399.825 4.584 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 553038095 RJOXLEGNHCCZBK-ZFXZZAOISA-N 397.518 4.974 0 40 GJAB O=c1nc(-c2ccc(OCc3c(F)cccc3Cl)cc2)[nH]c2ccccc12 575410907 LCTMLNKBYOKGKK-UHFFFAOYSA-N 380.806 4.962 0 40 GJAB OC[C@]1(c2ccccc2)CCCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 585080237 OHWMPIJIZQHCCX-QFIPXVFZSA-N 382.891 4.521 0 40 GJAB Cc1cccnc1Nc1cc([C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)ccn1 585292794 SHJZXLPEVPLQBH-SGQUHAKNSA-N 388.471 4.541 0 40 GJAB O=C(NCc1cccc2ccccc12)N[C@@H](c1cccs1)C1CCOCC1 1565523658 SYPPKHPUZCRJQR-OAQYLSRUSA-N 380.513 4.868 0 40 GJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(Cl)cc1 625301 KUPPURTUDQUJNZ-GOSISDBHSA-N 386.904 4.613 0 40 GJAB CCn1cc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cn1 648588 LIGTUDVYUSIXDN-UHFFFAOYSA-N 384.483 4.665 0 40 GJAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Cl)cc3n2)cc1C 828055 IDMAZNLLGSORBD-UHFFFAOYSA-N 376.847 4.943 0 40 GJAB Cc1ccc2cc(CN(C(=S)NC3CCCCC3)C3CCCC3)c(=O)[nH]c2c1 1224245 QTRRXDCTLOZOTE-UHFFFAOYSA-N 397.588 4.788 0 40 GJAB CN(C)CCCN(C(=O)c1ccccc1F)c1nc(-c2ccccc2)cs1 4188871 MKQULIMVIVSKAS-UHFFFAOYSA-N 383.492 4.548 0 40 GJAB Cc1cc(C)c(NC(=O)COC(=O)c2ccc(OCC(C)C)cc2)c(Cl)c1 4332701 MPRQWRQSPLYBRM-UHFFFAOYSA-N 389.879 4.787 0 40 GJAB CCN(CC)C(=O)c1sc2nc(C34CC5CC(CC(C5)C3)C4)ccc2c1N 4561582 IAOFWSBVXDRZKD-UHFFFAOYSA-N 383.561 4.828 0 40 GJAB Cc1ccc2sc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)nc2c1C 4585345 DTVOVIVGRFCHLL-UHFFFAOYSA-N 391.949 4.590 0 40 GJAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 4627691 VTADXJRQKMHKAZ-UAGQMJEPSA-N 396.556 4.740 0 40 GJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(C)cc2)cc1 5256425 ZPFURBWJURIMNR-QFIPXVFZSA-N 375.472 4.832 0 40 GJAB C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 6585776 OCLHYVZEMBDNNR-LBPRGKRZSA-N 394.254 4.527 0 40 GJAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O 6654560 QXKUBACQPCATMK-RGEXLXHISA-N 396.512 4.525 0 40 GJAB CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1 6767606 DAEGBMPHJGNUDB-UHFFFAOYSA-N 381.363 4.581 0 40 GJAB CC(C)Cc1nnc(NC(=O)c2ccccc2OCc2ccc(F)cc2)s1 6790842 FVSXQNGYBBHEDO-UHFFFAOYSA-N 385.464 4.707 0 40 GJAB COc1cc(NC(=O)c2ccc(C(C)C)cc2C(C)C)c(C(=O)O)cc1OC 6934429 BSNOJCUBDHBJFY-UHFFFAOYSA-N 385.460 4.901 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(-n3cnc4ccccc43)cc2)N1C1CC1 7364420 ZEEFRGXNTRGEAF-QHCPKHFHSA-N 380.451 4.754 0 40 GJAB Cc1ccc(-c2cc(C(=O)NCC3(N(C)C)CCCCC3)c3ccccc3n2)o1 8074275 KAHDXVDTTOSXMV-UHFFFAOYSA-N 391.515 4.798 0 40 GJAB Cc1cccc(Cc2cnc(NC(=O)c3cc(=O)c4cc(C)ccc4o3)s2)c1 8843776 VSGMXVZLANHNHW-UHFFFAOYSA-N 390.464 4.709 0 40 GJAB Cc1nnc(S/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)O)[nH]1 9329197 JCFIPFFHLOVNIZ-VGOFMYFVSA-N 396.255 4.898 0 40 GJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(C)c2)cc1 11116467 VFAXQWYIGCJSEP-RTWAWAEBSA-N 393.512 4.511 0 40 GJAB Fc1cccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)c1F 12322887 XOKWNJPTDZRSFI-UHFFFAOYSA-N 393.216 4.561 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC23OCCO3)C1 12657139 DPBGWNOQXKBDCB-DVFOPUQSSA-N 376.537 4.704 0 40 GJAB biogenic CCc1cc2c(=O)n3c(nc2s1)/C(=C/c1csc(Br)c1)CC3 12978463 ZTWGREOLOIKCCN-BJMVGYQFSA-N 393.331 4.789 0 40 GJAB COc1ccc(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 15013897 RTJOJWJVZVMVNO-UHFFFAOYSA-N 375.346 4.904 0 40 GJAB O=C(N(Cc1ccccc1)Cc1ccccc1)C1(c2ccccc2)CCOCC1 16985295 PKLCRWUXLXCNOO-UHFFFAOYSA-N 385.507 4.964 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 19932492 QCFOJYJSXZOUCF-OAHLLOKOSA-N 382.243 4.576 0 40 GJAB COc1ccc(CNC(=O)c2ccccc2SCc2ccccc2)cc1OC 19933403 HAXAPESMNLTCOR-UHFFFAOYSA-N 393.508 4.926 0 40 GJAB C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(F)cc1 20460622 ANFGHGUOUCGUAM-SFHVURJKSA-N 388.486 4.875 0 40 GJAB CCN(C(=O)Cn1c([C@H](C)N2CCCCC2)nc2ccccc21)c1ccccc1 21171077 SRYVFOBXBLDZQK-IBGZPJMESA-N 390.531 4.636 0 40 GJAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC[C@H](C)C2)cc1 23704144 IFRBSPIZRUDWKT-KRWDZBQOSA-N 394.540 4.866 0 40 GJAB CN(Cc1ccccc1F)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 29609871 OCNLUOGWPOOOIO-UHFFFAOYSA-N 381.834 4.982 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 30944147 DIDVEXUDIXOIBX-XMMPIXPASA-N 384.523 4.804 0 40 GJAB O=C(C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)N1CCc2ccccc21 30946928 NGRCKHMTXDJAPU-UHFFFAOYSA-N 389.326 4.795 0 40 GJAB CCOc1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OCc1cccnc1 32062922 JPSBAHXNXLURGY-UHFFFAOYSA-N 392.455 4.629 0 40 GJAB NC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)sc2c1CCCCC2 32125376 PFZCBJPAIOAFOO-UHFFFAOYSA-N 383.300 4.675 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3nc2C)c(OC)c1 32856160 RQVGYDLWNCDSSG-OAQYLSRUSA-N 394.446 4.677 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OC 33743090 JMOQFXRARXLKDB-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccccc1Br 40266540 VIOVKOIBFYQICD-UHFFFAOYSA-N 384.155 4.597 0 40 GJAB CCN(CC)c1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 54362855 BZPRVHKFDNKLGF-UHFFFAOYSA-N 380.271 4.879 0 40 GJAB CCN(Cc1ccccc1)[C@@H](c1ccc(C)cc1)c1nnnn1C1CCCC1 57613809 BIQVNYZTLWYFMB-QFIPXVFZSA-N 375.520 4.708 0 40 GJAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3cccc(F)c3C#N)cc2)cc1 57797207 XWAFAIHJXBVFFY-UHFFFAOYSA-N 396.443 4.623 0 40 GJAB O=C(NCCCN1c2ccccc2Sc2ccccc21)NCc1ccncc1 60895021 FQQRLDUBECHLAR-UHFFFAOYSA-N 390.512 4.574 0 40 GJAB O=C(Nc1cc(-c2ccncc2)n[nH]1)c1ccc(COc2cccc(Cl)c2)o1 72255804 GNHWMMLCZYAULC-UHFFFAOYSA-N 394.818 4.549 0 40 GJAB O=C(c1cccnc1)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349129 DCIGXWQEKSSKTP-LJQANCHMSA-N 391.902 4.741 0 40 GJAB c1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n2)nc1 72377982 WBGDTAVOHUUXPX-NRFANRHFSA-N 382.471 4.501 0 40 GJAB COc1ccc(-c2cc(C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)no2)cc1 72427652 BWSQAETZNCSVCU-GFCCVEGCSA-N 390.361 4.860 0 40 GJAB Cc1nc(C(C)(C)C)nc2sc(C(=O)OCc3nc4ccccc4[nH]3)c(C)c12 89567527 CEXQPMBBPPJRRZ-UHFFFAOYSA-N 394.500 4.839 0 40 GJAB COC1CCN(c2ccc(NC(=O)CCc3ccc(F)c(Cl)c3)cc2)CC1 96104484 XYPUVRGOZWLKRO-UHFFFAOYSA-N 390.886 4.666 0 40 GJAB COc1ccc(-c2nsc(NC(=O)c3cc(Cl)ccc3Cl)n2)cc1 103035229 ZLKYRBRQNLUFBF-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1 222627604 YYQDQAMKDKSVNO-HNNXBMFYSA-N 399.541 4.853 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224468824 GMPNDWGROMNBIU-NRFANRHFSA-N 383.532 4.954 0 40 GJAB COc1ccc(-c2ccc(C(=O)n3cc(C(=O)O)c4ccccc43)o2)cc1Cl 226764984 VOTOFSYPBVUVDR-UHFFFAOYSA-N 395.798 4.950 0 40 GJAB O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1ccc(F)c(F)c1 408713359 VGBNMZYLPLLZQE-UHFFFAOYSA-N 386.423 4.668 0 40 GJAB Cc1ccc(NC(=O)c2ccc(OC(=S)N3CCC(C)CC3)cc2)cc1C 408722195 RGGLIKLQPASVFQ-UHFFFAOYSA-N 382.529 4.951 0 40 GJAB Cc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CCCC3)cc1C 409117801 NEJWZVBUYRZYFB-UHFFFAOYSA-N 396.434 4.997 0 40 GJAB CCc1cc(Br)cc(C)c1NC(=O)COc1c(C)cccc1C 409125366 FBNWYFSCNVCGIQ-UHFFFAOYSA-N 376.294 4.954 0 40 GJAB Cc1cc(C)n([C@@H](CNC(=O)Nc2cccc(C(F)(F)F)c2)c2ccco2)n1 575614623 ZFAVLDNOWYIYGO-INIZCTEOSA-N 392.381 4.523 0 40 GJAB c1ccc(CN2CCCCCOc3ccccc3Oc3ncccc3C2)nc1 643561938 FJTGANHVKVRQLR-UHFFFAOYSA-N 375.472 4.834 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3cc(F)ccc3F)CC[C@@H]2N1c1ccc(F)cc1 1615159610 PDHZDJZVTHGBLE-VLIAUNLRSA-N 388.433 4.624 0 40 GJAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)c1csc(-c2ccccc2)n1 1775968995 RDYSAPRBPSWWRG-INIZCTEOSA-N 396.493 4.595 0 40 GJAB Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1 1889238088 BNGXYYHCAYADKM-IBGZPJMESA-N 392.846 4.833 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(C)cccc2cc1C 875714 SHSQKSOCBCBKIK-UHFFFAOYSA-N 394.496 4.759 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)cc1 903134 SYJDRGCRSFEXOS-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc(C)c3)c2c1 952858 QAECJQUEYNVTOY-UHFFFAOYSA-N 378.428 4.640 0 40 GJAB COc1ccc(-c2csc3nc(-c4ccc(C)cc4)oc(=O)c23)cc1OC 976787 GVDZSWDAOUSYSV-UHFFFAOYSA-N 379.437 4.909 0 40 GJAB CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNC3CCCC3)cc12 1353893 UISPWIYAJNBEMU-UHFFFAOYSA-N 398.938 4.697 0 40 GJAB COc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)Nc2cccc(F)c2)C3)cc1 1370561 SGLJFUYVBSASKN-SFTDATJTSA-N 397.494 4.542 0 40 GJAB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(C(F)(F)F)cc1)CO3 2117531 UAZMAADLTKAJDO-UHFFFAOYSA-N 375.346 4.785 0 40 GJAB biogenic CCCCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O 2657238 GYIDMUVUYPJWTD-MRXNPFEDSA-N 395.528 4.624 0 40 GJAB CC(C)Oc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 3282057 DIFCRKFVSISTMF-LBPRGKRZSA-N 396.270 4.965 0 40 GJAB O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc(F)c(F)c1 3356138 WOKWXHHKODZSJM-UHFFFAOYSA-N 377.437 4.917 0 40 GJAB Cc1cccc(COc2ccccc2C(=O)OCC(=O)Nc2cccc(C)c2)c1 3445431 GEJHCKUNDCNGBV-UHFFFAOYSA-N 389.451 4.678 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccc(-n2nncc2-c2ccccc2)cc1 3582185 QDTSERGJKKXRRK-UHFFFAOYSA-N 384.439 4.585 0 40 GJAB CCOCc1ccccc1C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1 4692321 XLEOZYMEMDPPFC-UHFFFAOYSA-N 378.468 4.525 0 40 GJAB CCOc1cccc2c1O[C@@H](c1cccc(OC)c1)N1N=C(c3ccco3)C[C@H]21 4715669 RWFBLRXAVJDUKE-XXBNENTESA-N 390.439 4.929 0 40 GJAB CC1=NN(C2(CNC(=O)c3ccccc3)CCCCC2)[C@H](c2ccccc2)C1 4770881 ZPEYJZCTFQHDPP-QFIPXVFZSA-N 375.516 4.942 0 40 GJAB Cc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1 4816677 NZQBEVHEADFVJJ-VQTJNVASSA-N 392.890 4.717 0 40 GJAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3cccc(C)c3)nc2c1 5142276 HCFCZYAEZDTEAH-UHFFFAOYSA-N 389.480 4.855 0 40 GJAB CC(C)(C)C1=NN(c2nc(-c3ccc(F)cc3)cs2)[C@](O)(C(F)(F)F)C1 5243114 FGGRHJFBJSJKCM-MRXNPFEDSA-N 387.402 4.812 0 40 GJAB Cc1ccccc1[C@@H](OC[C@H](O)Cn1c(C)nc2ccccc21)c1ccccc1 5689544 KQJKBBSLPJYJGJ-BWKNWUBXSA-N 386.495 4.820 0 40 GJAB CSc1nc2ccc(NCC(=O)N[C@H]3CCCc4ccccc43)cc2s1 5694335 BXFAYKIXEUZTHE-INIZCTEOSA-N 383.542 4.624 0 40 GJAB COc1c(Cl)cc(C(=O)NCc2ccccc2)cc1OCc1ccccc1 6735441 SJZPQRWHSKIUQC-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB COc1ccccc1-c1noc(CSc2ccc(Br)cc2)n1 7155039 JYSWDZRHMGLQRF-UHFFFAOYSA-N 377.263 4.800 0 40 GJAB O=C(COc1ccccc1)N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 7281181 VQMTZXKXUCELFL-OAQYLSRUSA-N 383.394 4.573 0 40 GJAB COCCNc1oc2c(c1-c1ccc(OC)cc1)c(=O)oc1c(C)cccc12 7636161 DKCJWGAJWOHCRW-UHFFFAOYSA-N 379.412 4.582 0 40 GJAB CN(CC(=O)Nc1ccccc1Cl)Cc1ncc(-c2ccc(Cl)cc2)o1 7727868 KMFJMFPOZISRHV-UHFFFAOYSA-N 390.270 4.719 0 40 GJAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(NC(C)=O)cc3)n2)cc1 7799841 DHTNRGKOQBCKFZ-UHFFFAOYSA-N 395.484 4.810 0 40 GJAB C[C@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)NC(C)(C)C 7837239 WVXDRXJDNHKAAM-NSHDSACASA-N 389.521 4.893 0 40 GJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(N2CCCCC2)cc1 7995682 NRCBEQROUWGXOD-UHFFFAOYSA-N 377.513 4.982 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c(C)c1 8049495 VDWFTIBQOMQRBE-GOSISDBHSA-N 394.515 4.772 0 40 GJAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC[C@@H]2CCCC[C@@H]21 8340667 LTOIMCVVJWRLNI-AVRDEDQJSA-N 386.499 4.729 0 40 GJAB CCOc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 8428374 AQXXFMTWNXDKNK-UHFFFAOYSA-N 398.466 4.644 0 40 GJAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cccc(C)c2C)cc1 8476600 WKRNNIMMXMVHJX-UHFFFAOYSA-N 388.515 4.922 0 40 GJAB Cc1cc(-c2cnc(NCCCN3CCC[C@@H](C)C3)nc2-c2ccoc2C)on1 12251498 CYGMSPDOGMNYCU-OAHLLOKOSA-N 395.507 4.542 0 40 GJAB COc1ccc2nc(-c3nn4c(-c5ccccc5Cl)nnc4s3)ccc2c1 12390264 MYGPFUYSVOWGKZ-UHFFFAOYSA-N 393.859 4.730 0 40 GJAB C[C@@H]1CCc2ccccc2N1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 12568506 CERCGFWPDYUOIP-GOSISDBHSA-N 394.478 4.916 0 40 GJAB O=c1c2ccsc2ncn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 12742731 LQMQEKMHUOJFJW-UHFFFAOYSA-N 393.415 4.649 0 40 GJAB CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccccn3)sc2c1 12786686 KZIYQFFAHNGWEG-UHFFFAOYSA-N 389.480 4.937 0 40 GJAB Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c(Br)c1 12793885 FJKVONCFKUAEKK-AWEZNQCLSA-N 390.277 4.568 0 40 GJAB O=C(Nc1ccc(SC(F)F)cc1)c1ccccc1OC[C@H]1CCCO1 12933162 VLOHWVMGUNRRPY-CQSZACIVSA-N 379.428 4.811 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(N2CCCC2=O)c1 13002552 GAKOWHWEQUSSEV-GFCCVEGCSA-N 393.270 4.526 0 40 GJAB c1ccc2c(c1)O[C@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 13036189 IDJMWUPOOHOZJT-DYESRHJHSA-N 376.437 4.719 0 40 GJAB COc1cccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccccc2Cl)c1OC 13571002 JGDCAJMXSVSNEK-AWEZNQCLSA-N 397.862 4.975 0 40 GJAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4F)nccn3n2)cc1 17051674 ZRNDEFSENZQXGJ-UHFFFAOYSA-N 392.459 4.575 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1Cl 20486328 HRHSNCLXDBVKHM-LLVKDONJSA-N 382.243 4.576 0 40 GJAB Cc1ccccc1[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccc1 20492769 YKOGVORXHXVOJB-NRFANRHFSA-N 385.916 4.857 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 20495676 HPKYFXBLDSKLCT-OAQYLSRUSA-N 377.440 4.813 0 40 GJAB CCN1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 21295299 QFRDQLVZXVPSEM-UHFFFAOYSA-N 377.922 4.642 0 40 GJAB CCOC(=O)C1CCN([C@H](c2cccs2)c2c(C)[nH]c3ccccc23)CC1 21670490 RLTFVCKGLXKDCV-OAQYLSRUSA-N 382.529 4.902 0 40 GJAB C[C@H](NC(=O)CSc1nccc(C(F)(F)F)n1)c1cccc2ccccc12 22614490 XYHZIJYEGKITDO-LBPRGKRZSA-N 391.418 4.618 0 40 GJAB O=C(/C=C/c1cccc(Cl)c1)Nc1cc2c(cc1Br)OCCO2 24945414 VQYZVTRTLMQPLX-SNAWJCMRSA-N 394.652 4.526 0 40 GJAB CCn1c(SCCC(=O)NC2CCCCC2)nnc1-c1ccc(Cl)cc1 25067195 BWEKRLQIHYJDMO-UHFFFAOYSA-N 392.956 4.550 0 40 GJAB CC(C)Oc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 30940140 XKHSYKXSJMAMPY-SFHVURJKSA-N 386.923 4.978 0 40 GJAB C[C@@H](NC(=O)c1ccccc1OC[C@H]1CCCO1)c1cccc2ccccc12 32491329 ZIFUWYOIXMJPLK-IEBWSBKVSA-N 375.468 4.889 0 40 GJAB COc1ccc(CSc2noc(-c3ccc(Br)cc3)n2)cc1 32611987 DMMFIMZKKXLERH-UHFFFAOYSA-N 377.263 4.800 0 40 GJAB Cc1cc2nc(C3CCN(CC(=O)Nc4c(C)cccc4C)CC3)[nH]c2cc1C 35291741 WWEIYAOYROFTBU-UHFFFAOYSA-N 390.531 4.615 0 40 GJAB CCc1ccc(N2C[C@H](C(=O)Nc3nc4ccc(Cl)cc4s3)CC2=O)cc1 40159756 OWBPTSGGWWXMHU-CYBMUJFWSA-N 399.903 4.504 0 40 GJAB Cc1ccc2[nH]c(CSCC(=O)Nc3ccc(Cl)c(F)c3)cc(=O)c2c1 41077345 HQBLNXLVKZWXTF-UHFFFAOYSA-N 390.867 4.501 0 40 GJAB Cc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(-c2cccc(Cl)c2)n1 57526959 VGJXTIFBNOYXQF-UHFFFAOYSA-N 395.890 4.634 0 40 GJAB COc1ccc(C)cc1NCCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 58022980 VXDIHZPROOHWRT-JOCHJYFZSA-N 398.503 4.912 0 40 GJAB O=C(c1cncc(Br)c1)N(CCc1ccccc1)c1ccccc1 58428333 GQFWFLKNEXSAJD-UHFFFAOYSA-N 381.273 4.734 0 40 GJAB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2Cl)cc1 59488984 FJYMHFNZURDVAY-GOSISDBHSA-N 396.796 4.512 0 40 GJAB Cc1ccc(C(=O)N(Cc2ccccn2)C2CCCCC2)cc1N1CCCC1 72391795 CNKCLFROOCFWGV-UHFFFAOYSA-N 377.532 4.965 0 40 GJAB C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2N1 78403988 IKUBMFZNADRZNT-HNNXBMFYSA-N 380.469 4.636 0 40 GJAB Cc1cc(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)c2ccc(F)cc2n1 84083310 UQHRMRXGOCUAGA-UHFFFAOYSA-N 385.389 4.813 0 40 GJAB CC(C)Oc1ccc(C(=O)NCc2ccc([C@@H](O)c3cccs3)s2)cc1 90613578 JKLVKARNYQCWMR-IBGZPJMESA-N 387.526 4.609 0 40 GJAB O=c1[nH]c2cc3c(cc2c(-c2ccc(F)cc2)c1Cc1ccccc1)OCCO3 98086842 UYBUCFVTJVWZTK-UHFFFAOYSA-N 387.410 4.696 0 40 GJAB Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)c2ccccc2Cl)C3)cc1 100425275 HZPRGEINJCDXIX-PMACEKPBSA-N 382.935 4.964 0 40 GJAB COc1ccccc1C(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 170640225 LFSZYIFESKFSPE-QGZVFWFLSA-N 388.467 4.781 0 40 GJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCSCc1ccccc1F 216351576 QBAFXMAXICMJNQ-INIZCTEOSA-N 375.509 4.766 0 40 GJAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(OCc2ccccc2)cc1 222638594 ONYCJARHQJOCRY-UHFFFAOYSA-N 389.451 4.608 0 40 GJAB CC[C@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc2c(c1)CCCC2 223138642 UNIBRROIPJQAMD-NRFANRHFSA-N 387.545 4.620 0 40 GJAB CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223333494 YPFYQRSTGVEZJC-DEOSSOPVSA-N 390.527 4.783 0 40 GJAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 223483653 VUIPNALXFHJCCD-HSZRJFAPSA-N 398.522 4.858 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1 224364381 VFDOPZRTCSMTNK-UHFFFAOYSA-N 391.423 4.645 0 40 GJAB CC(C)Oc1cccc(CNC(=O)c2cc(Br)ccc2Cl)c1 225072090 XCFMPIUGBSZHAU-UHFFFAOYSA-N 382.685 4.820 0 40 GJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccccc2C)c1 225379066 YUQMGNSEZDCLCH-CEZZIEKDSA-N 388.467 4.545 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1Cl 225883833 MSVHHQJTJQCANL-UHFFFAOYSA-N 386.879 4.617 0 40 GJAB Cc1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)C)ccc3Cl)nc2c1 408625184 WTSXWHCSXLPYEB-UHFFFAOYSA-N 387.892 4.926 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3)[C@](O)(C(F)(F)F)[C@H]2C1 409360562 QWOKBOMDUCQVGN-ZRGWGRIASA-N 382.426 4.602 0 40 GJAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1OCc1ccc(Br)cc1 503852974 PBLURYCGFUFEGR-HOTGVXAUSA-N 384.314 4.802 0 40 GJAB COC(=O)[C@@H]1CN(c2ccc3ccc(C(F)(F)F)cc3n2)Cc2ccccc21 1151702670 VCWACIHCLWAYKD-QGZVFWFLSA-N 386.373 4.530 0 40 GJAB O=C(Nc1ccc(-c2ccccc2)nn1)C1(c2cc(F)cc(F)c2)CCCC1 1524648901 PXBPIVBLQNDJDD-UHFFFAOYSA-N 379.410 4.872 0 40 GJAB COc1ccc(Cl)cc1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 1775966429 DEBVTKTWJOKUKA-SFHVURJKSA-N 387.888 4.541 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1 1775974318 WPVPDGDTGYQQFF-OALUTQOASA-N 394.563 4.881 0 40 GJAB Cc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 875676 GNJSXQSYVDNRRD-UHFFFAOYSA-N 394.496 4.662 0 40 GJAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 1092981 AFIKJLLECSYZEE-QQNJPBSNSA-N 379.459 4.647 0 40 GJAB biogenic CCOc1ccccc1C(=O)N(c1nnc(-c2ccccc2C)s1)C(C)C 1345370 MZBYXHYMYADCOO-UHFFFAOYSA-N 381.501 4.967 0 40 GJAB Cc1sc2ncnc(OCC(=O)c3ccc(NC(=O)CC(C)C)cc3)c2c1C 3365965 BXMKBLVWRWXOBA-UHFFFAOYSA-N 397.500 4.554 0 40 GJAB CCc1cccc2c(C(=O)[C@H](Sc3nnc(C)n3C)c3ccccc3)c[nH]c12 3477900 HODATTHEAYIVBJ-OAQYLSRUSA-N 390.512 4.884 0 40 GJAB Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc4ccccc4c3)ccc12 4046435 YLZWOTOTSYYLPU-UHFFFAOYSA-N 388.419 4.769 0 40 GJAB biogenic CCCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)sc1C 4929151 NJVQONPWKHEWKY-SECBINFHSA-N 385.407 4.610 0 40 GJAB CC[C@H](C)Cn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 5235775 NFNCDLOEEOWIKQ-IRXDYDNUSA-N 377.488 4.612 0 40 GJAB CCCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OC 6274214 KZRRQGXYSLELNN-UHFFFAOYSA-N 397.254 4.831 0 40 GJAB CCn1c(-c2ccccc2)c(C(=O)Cn2cc(C)sc2=N)c2ccccc21 6319836 JNRCIRHNRNVBKF-UHFFFAOYSA-N 375.497 4.862 0 40 GJAB CCOc1ccccc1Cn1cnc2scc(-c3ccc(C)s3)c2c1=O 7671958 BVPOTYXDRPUVCE-UHFFFAOYSA-N 382.510 4.942 0 40 GJAB Cn1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21 8093792 YGMFUJKEKVQQBY-HNNXBMFYSA-N 375.497 4.808 0 40 GJAB COc1cccc(NC(=O)Nc2nnc(CSc3ccc(C)cc3)s2)c1 8738932 DYSHKFAKZDTJAK-UHFFFAOYSA-N 386.502 4.791 0 40 GJAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1-c1ccccc1 10412016 UFBLBDJTKMETRL-UHFFFAOYSA-N 379.843 4.959 0 40 GJAB Cc1ccc(-c2nsc(NC(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 11914376 YUUAJMYOXQFUQU-UHFFFAOYSA-N 387.892 4.801 0 40 GJAB CCc1ccc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(CC(=O)O)c3n2)cc1 12396975 AXURTPWKASTSRA-UHFFFAOYSA-N 389.377 4.642 0 40 GJAB O=C(Nc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)s1)c1ccco1 12554343 SNIGJHPBVUDRNW-UHFFFAOYSA-N 395.484 4.836 0 40 GJAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)C1 12796020 VMNTVIOWYBVUOX-VXGBXAGGSA-N 381.904 4.666 0 40 GJAB COC(=O)CCCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 12810269 BDTAVCYCBCMZFI-UHFFFAOYSA-N 379.909 4.922 0 40 GJAB Cc1nc(SCc2nnc(-c3cccs3)o2)c2c3c(sc2n1)CCC3 12817105 LUKRZCYJCYUYIQ-UHFFFAOYSA-N 386.527 4.892 0 40 GJAB C[C@H](Sc1nc(CN2CCOCC2)nc2ccccc12)c1ccccc1Cl 14135659 VJXJPZYBXAYCEV-HNNXBMFYSA-N 399.947 4.969 0 40 GJAB CCCOc1ccc(Br)cc1C(=O)Oc1ccccc1C(C)=O 14782218 MGXJLDWCQCOCAX-UHFFFAOYSA-N 377.234 4.660 0 40 GJAB Fc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1 17200389 OCRXAYBBQHVOJI-UHFFFAOYSA-N 388.450 4.689 0 40 GJAB C[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1cccc(Cl)c1 17908569 XKNRPQSNARMMLA-CYBMUJFWSA-N 396.903 4.691 0 40 GJAB FC(F)(F)c1ccc(-c2nc(Cn3nnc(-c4ccccc4)n3)cs2)cc1 22514879 LFOGMQHVMANLRO-UHFFFAOYSA-N 387.390 4.531 0 40 GJAB Cc1nc2ccc(NC(=O)c3ccccc3OCc3ccncc3)cc2s1 32063663 BNULAJVIWCOBKC-UHFFFAOYSA-N 375.453 4.831 0 40 GJAB COc1cc2c(cc1OC)CN(CC(=O)c1ccc3c(c1)-c1ccccc1C3)CC2 35380340 XLYKAPXPHGHZRG-UHFFFAOYSA-N 399.490 4.516 0 40 GJAB Cc1ccccc1C(=O)Nc1ccccc1NC(=O)Nc1ccc2c(c1)OCO2 36709647 FUZCFZHPDAZNDK-UHFFFAOYSA-N 389.411 4.620 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C)CC4)cc1 38535754 JQDQOCDXPUSQIC-CQSZACIVSA-N 385.485 4.757 0 40 GJAB aggregator CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(Cc2ccncc2)CC1 40096343 VRXJINNFSLZYDI-UHFFFAOYSA-N 380.536 4.678 0 40 GJAB O=C(NC1CC1)c1cc(NC(=O)N2CCC[C@H]2C2CCCCC2)ccc1Cl 40151779 RWONSUKVRURIFE-IBGZPJMESA-N 389.927 4.809 0 40 GJAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1OC 41078079 VIEDVTKBFDZSRA-UHFFFAOYSA-N 393.487 4.598 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(C(=O)[C@@H]4C[C@H]4c4ccc(F)cc4)CC3)c2c1 42970375 HALRKFBNPAZKHN-PZJWPPBQSA-N 390.458 4.735 0 40 GJAB Cn1c(CN2CCC[C@H](c3nc4ccccc4o3)C2)nc2cc(Cl)ccc21 48374614 NQXWZXAHLSMNBF-AWEZNQCLSA-N 380.879 4.748 0 40 GJAB O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2ccccc2Cl)[nH]n1 57412337 IULPBPVLYCEYJQ-UHFFFAOYSA-N 381.741 4.881 0 40 GJAB CCc1ccc([C@@H](NCC(=O)N2CCc3ccccc32)c2cccs2)cc1 57574255 KGTKLARHHUCVIQ-HSZRJFAPSA-N 376.525 4.579 0 40 GJAB CCCn1/c(=N/C(=O)c2c[nH]cc2-c2ccc(Cl)s2)[nH]c2ccccc21 60580978 NUDYGYBZILYTSJ-UHFFFAOYSA-N 384.892 4.831 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)n1c(-c2cccs2)n[nH]c1=S 64335237 QTUMFTAMUVYXMM-JTQLQIEISA-N 378.910 4.831 0 40 GJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc2[nH]ccc12 65523702 HWHLOYAFSAKTFA-UHFFFAOYSA-N 384.848 4.602 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)cc1 67257448 GJHSQVNEDYANIL-UHFFFAOYSA-N 395.459 4.525 0 40 GJAB CCN(CC)[C@@H](CNC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1 69250322 WGJBOPYCNLSSOE-IQGVVSCOSA-N 379.529 4.509 0 40 GJAB O=C(CN1CCC[C@@H]1c1ccc(O)cc1)Nc1c(Cl)cccc1C(F)(F)F 69565921 XACWVNXJVCPYBK-MRXNPFEDSA-N 398.812 4.840 0 40 GJAB O=C(c1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359334 DOPXDURRTPZYFA-SFHVURJKSA-N 377.875 4.817 0 40 GJAB CCOc1ccccc1NC(=O)NC[C@](C)(O)c1ccc(-c2ccccc2)cc1 77184418 BXOBIAYENBJJHF-DEOSSOPVSA-N 390.483 4.782 0 40 GJAB COc1cccc(NC(=O)NC2(c3nc(-c4ccccc4)no3)CCCCC2)c1 77197403 UNLXMBWDVOYMJN-UHFFFAOYSA-N 392.459 4.726 0 40 GJAB CCN(CC)C(=O)c1ccc(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)cc1 95947906 ILMPIXMEHLYMJF-UHFFFAOYSA-N 397.500 4.754 0 40 GJAB COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 95957254 VRBFCFUIINLEKY-WOJBJXKFSA-N 387.483 4.809 0 40 GJAB O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)C1(c2ccccc2)CCOCC1 95991714 MGHBVEAEBSWNJP-UHFFFAOYSA-N 399.450 4.577 0 40 GJAB Cc1noc(-c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)c(Cl)c2)n1 96005693 KZNMHRRBJGIOLU-UHFFFAOYSA-N 391.880 4.623 0 40 GJAB CC(C)c1ccc(OCC(=O)N2CCc3ccccc3C2)c(Br)c1 218868917 FKVGJMSMRIZEKQ-UHFFFAOYSA-N 388.305 4.536 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1OCC 219037663 BCLHNQCAPDBBIT-KRWDZBQOSA-N 393.483 4.721 0 40 GJAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)cc1 222839789 LESGKFASAVWATD-LEWJYISDSA-N 376.529 4.562 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)ccc1Cl 222852093 VNCZKVVNVYSSQF-QGZVFWFLSA-N 389.923 4.952 0 40 GJAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(C)cc(C)c1 224319167 SGHYIOVKRGJWRK-NHCUHLMSSA-N 376.529 4.697 0 40 GJAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccccc1 224360044 BIKPNYNSGMHIQV-UHFFFAOYSA-N 391.467 4.603 0 40 GJAB CC(C)(C)c1ccc(O[C@H](Cc2cccc(Br)c2)C(=O)O)cc1 225063293 AGSGQCZZJMBJIF-QGZVFWFLSA-N 377.278 4.821 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=S)NCCSc2ccc(C)cc2)c1 225286619 YOIZPRFQFJPZBW-UHFFFAOYSA-N 394.949 4.514 0 40 GJAB S=C(NCCCSCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 225609415 UTFUWCSKXFVNJX-UHFFFAOYSA-N 394.949 4.679 0 40 GJAB CC(=O)c1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2C)s1 225672007 UFSRHPLDLVXBGR-UHFFFAOYSA-N 388.876 4.540 0 40 GJAB COC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253498530 FMACOWSJEUFNHK-SHDVWKRSSA-N 388.548 4.545 0 40 GJAB CCOP(=O)(OCC)C(F)(CCC(C)=O)P(=O)(OCC)OCC 306145471 GCZDJUJNFGSMTB-UHFFFAOYSA-N 376.298 4.511 0 40 GJAB CCOC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CCC2 408575776 QYOXZWIYEIRDKK-UHFFFAOYSA-N 375.515 4.534 0 40 GJAB CSc1nc(N2CCCC2)c2cc(C(=O)N[C@H](C)c3ccccc3)sc2n1 408616969 AWCHAQDMLUXFLH-CYBMUJFWSA-N 398.557 4.504 0 40 GJAB CCn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c2cc(C)ccc21 408712907 AQCDHXHINMDVDS-UHFFFAOYSA-N 375.255 4.889 0 40 GJAB CCOc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)ccc1O 408811408 QXYUKLWMCHXAHO-UHFFFAOYSA-N 389.884 4.516 0 40 GJAB CC(C)(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 514289852 KEKAFOJARNZDOP-CNNODRBYSA-N 394.625 4.603 0 40 GJAB biogenic,in-vitro CC1(C)C[C@@]2(CCCN2C(=O)CCc2ccccc2F)CN1c1ccc(F)cc1 1615123778 VHLZAOWCDKECPW-DEOSSOPVSA-N 398.497 4.948 0 40 GJAB COc1ccc(-c2csc3nc(-c4ccccc4F)oc(=O)c23)cc1OC 798305 YIZNYBHCGKMSHI-UHFFFAOYSA-N 383.400 4.740 0 40 GJAB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1c1ccccc1 872989 OQRONRHMIXJLBO-ATVHPVEESA-N 380.856 4.862 0 40 GJAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cccs3)cc2c1 1359315 INGQXVJMSBNTNZ-UHFFFAOYSA-N 392.480 4.588 0 40 GJAB Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1ccc(Cl)cc1 1397433 KPUHBJMKFSAAIJ-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)CSc1ccc(Br)cc1 3222157 BQINPTBRTKTNQD-CQSZACIVSA-N 378.335 4.679 0 40 GJAB CC(=O)c1cccc(NC(=O)CSc2ccc(Br)cc2C)c1 3402684 CEBRPKAVFOGRIJ-UHFFFAOYSA-N 378.291 4.691 0 40 GJAB O=C(Nc1nnc(C2CC2)s1)c1oc2ccccc2c1COc1ccccc1 3552714 WUVAQLBZGYOYAP-UHFFFAOYSA-N 391.452 4.993 0 40 GJAB Cc1cc2cc(CNC(=O)c3cc(Br)ccc3Cl)ccc2n1C 4061518 BFWDBMYMUCRDTM-UHFFFAOYSA-N 391.696 4.833 0 40 GJAB CCc1nnc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2CC)s1 4849443 MQJTUXAVRJZWGH-UHFFFAOYSA-N 386.546 4.559 0 40 GJAB COc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)Nc2cccc(F)c2)C3)cc1 4887958 SGLJFUYVBSASKN-SEJPIABJSA-N 397.494 4.542 0 40 GJAB Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NCCC(C)C)c2c1 4895217 YQKQNNZSTXYCME-UHFFFAOYSA-N 397.519 4.999 0 40 GJAB Cc1ccccc1NC(=O)[C@@]1(c2ccsc2)CC(=O)N1c1ccc(Cl)cc1 5451729 MLELEVQAAVWFJA-NRFANRHFSA-N 396.899 4.981 0 40 GJAB O=C(COc1ccc(C2SCCS2)cc1)NC12CC3CC(CC(C3)C1)C2 5584260 RLVAZIXENYYBMN-UHFFFAOYSA-N 389.586 4.629 0 40 GJAB CSc1cccc(NC(=O)Cn2ccc3cc(Br)ccc32)c1 6389457 OSOWOUUGODEDRK-UHFFFAOYSA-N 375.291 4.764 0 40 GJAB Cc1ccc(C)c2c1[nH]c1nc(SCC(=O)Nc3ccc(Cl)cc3)nnc12 6501754 KTNRAGFZJXYBHI-UHFFFAOYSA-N 397.891 4.507 0 40 GJAB Fc1cc(Br)ccc1CSc1nc(-c2ccccc2F)n[nH]1 6581928 QXMURJPBTGZCQK-UHFFFAOYSA-N 382.233 4.805 0 40 GJAB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C/c1nc2ccccc2c(=O)[nH]1 6908643 KNUZWPJJSIUGEC-MDZDMXLPSA-N 397.265 4.894 0 40 GJAB Cc1cc(F)ccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 7748812 PSLDPOQKNLBBEJ-NRFANRHFSA-N 376.431 4.634 0 40 GJAB Cc1cc(C2=NN=C(NCc3ccco3)SC2)c(C)n1CCc1cccs1 9744486 NDKQCJGMGSCNOZ-UHFFFAOYSA-N 398.557 4.599 0 40 GJAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 12441133 IMPXRZGMRHVXBF-UHFFFAOYSA-N 395.890 4.599 0 40 GJAB COc1ccc(NC(=O)CSc2nccn2-c2ccccc2C)cc1Cl 12745599 KJDZMNIYBZIWBD-UHFFFAOYSA-N 387.892 4.574 0 40 GJAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CC[C@@H](C)Sc4ccccc43)c12 12873116 KNOCSMFGYQJDHB-CQSZACIVSA-N 394.544 4.931 0 40 GJAB CCCN(C(=O)CSc1nnc(NCc2ccco2)s1)C1=CCCCC1 12920510 LNFPEAPXLIDJSK-UHFFFAOYSA-N 392.550 4.532 0 40 GJAB CC(C)c1c(C(=O)Nc2ccc3c(c2)OCO3)cnn1-c1cccc(Cl)c1 12982356 GLYWFPFYXWGWHD-UHFFFAOYSA-N 383.835 4.630 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 14291390 OGYUXKZVAHBCCY-UHFFFAOYSA-N 375.424 4.695 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 15132758 GNGJITXBCMPIJI-QGZVFWFLSA-N 375.468 4.791 0 40 GJAB Cc1ccc2c(N)c(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)sc2n1 18198353 QJXMHAXKYQWKTB-UHFFFAOYSA-N 384.461 4.702 0 40 GJAB CC(C)(C)CC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 19082801 AJWVMZAFADQDRD-UHFFFAOYSA-N 397.544 4.874 0 40 GJAB Cc1cc(-c2cnc(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)nc2C(C)C)on1 19121611 WCQVIZFPGZMDGW-GOSISDBHSA-N 394.519 4.626 0 40 GJAB CC(=O)C1=NN(c2ccccc2)[C@](Cc2ccccc2)(N2CCCCC2)S1 19205174 ZGVLCQSILMLAAX-QFIPXVFZSA-N 379.529 4.525 0 40 GJAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 20367852 VNCWDXBNEHRESL-UHFFFAOYSA-N 397.525 4.605 0 40 GJAB Cc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)c(C)c1 20450436 QEYCILBOZDIQRD-JOCHJYFZSA-N 379.525 4.988 0 40 GJAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1csc(-c2cccs2)n1 27795157 PFYZHNZWPVOEQM-UHFFFAOYSA-N 393.873 4.653 0 40 GJAB COc1ccccc1NC(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27971869 DWQYULMIZNAXMO-UHFFFAOYSA-N 399.450 4.848 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCN4CCC[C@@H]4C3)c3cccc(C)c3n2)s1 28227683 TVYWLNVDSIIAFO-QGZVFWFLSA-N 391.540 4.500 0 40 GJAB Cc1ccccc1SCC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 28605027 IVSCZNBWIPKQJC-MRXNPFEDSA-N 398.553 4.909 0 40 GJAB O=C(c1ccc(F)cc1)c1ccc(OCc2nnc(-c3cccs3)o2)cc1 32852777 JLKFGCFDABPBLP-UHFFFAOYSA-N 380.400 4.747 0 40 GJAB Cc1cnc2c(S(=O)(=O)N(C)[C@@H](C)c3nc4ccccc4s3)cccc2c1 39551367 NYRMZTLNUZQJLW-AWEZNQCLSA-N 397.525 4.535 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2cccc(Cl)c2)on1 40087398 KWJSCRYNGGLJTF-UHFFFAOYSA-N 382.832 4.766 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1 40104895 NEGDBZBFKCKZMR-OAQYLSRUSA-N 390.487 4.867 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)C(=O)NCc2cccc(OC)c2)cc1 40150010 MZODUWYRJCUVOY-UHFFFAOYSA-N 389.499 4.565 0 40 GJAB CCOc1ccc(CCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 44851485 OFFKUVOQABXPAV-FQEVSTJZSA-N 394.559 4.680 0 40 GJAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CN2CCCCCC2)cc1 44852660 BERLEGULFNFPIK-FQEVSTJZSA-N 380.532 4.568 0 40 GJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875274 VUWCKVJHUGNTQN-FQEVSTJZSA-N 394.559 4.880 0 40 GJAB Cc1ccc2c(Nc3ccc(F)c(F)c3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005464 CFRNLHCGUHHUJS-UHFFFAOYSA-N 396.441 4.832 0 40 GJAB O=C(Nc1cc(Nc2nccc(C(F)(F)F)n2)ccc1F)c1ccsc1 52306276 MRJPAQBKYDRUNJ-UHFFFAOYSA-N 382.342 4.692 0 40 GJAB CC(=O)N(c1ccc(C)cc1)c1nc(CSc2nnc(C)s2)cs1 54913754 OQJHNMOJTTVKAU-UHFFFAOYSA-N 376.532 4.588 0 40 GJAB C[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1ccc(Oc2ccccc2)c(F)c1 56932066 JOHIZPCEJVPQFD-INIZCTEOSA-N 397.494 4.605 0 40 GJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1OC)CO3 58090595 FHPOSGXJOWDNHA-UHFFFAOYSA-N 393.483 4.805 0 40 GJAB biogenic CCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1 67296010 GSRULITZLDAXJP-ATJXCDBQSA-N 375.453 4.936 0 40 GJAB Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 71283412 RWEUWNCBQIOXMP-FQEVSTJZSA-N 391.515 4.537 0 40 GJAB C[C@H](NC(=O)CCCC1CCCCC1)c1cc(F)ccc1N1CCC(O)CC1 78996296 FNSMIXITELYUCN-KRWDZBQOSA-N 390.543 4.715 0 40 GJAB Cc1nccn1-c1ccc([C@H](C)NC(=O)CCc2cccc(Cl)c2)cc1F 79025090 VSLNXNZGWNIPGG-AWEZNQCLSA-N 385.870 4.783 0 40 GJAB CN(Cc1cc(-c2ccccc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95951876 XCECVQGRQPERES-VQTJNVASSA-N 389.282 4.739 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nc(-c2ccc(C)cc2)no1 98212199 LXJTUEPHTWGALG-KRWDZBQOSA-N 397.862 4.684 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2Cl)C[C@@H](c2ccccc2)C1 102603909 CKIZXYZAHWKWCE-VLIAUNLRSA-N 376.847 4.997 0 40 GJAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)O 117047359 VOKBAUWCJDGAOW-KRWDZBQOSA-N 375.852 4.527 0 40 GJAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]21 169620661 RHKPIYXWINNWJU-OJXGSEEGSA-N 381.781 4.617 0 40 GJAB Cc1noc(C)c1CCC(=O)N1CCS[C@H](c2ccccc2Cl)CC1 211146527 LATOJLFPQWSCKO-SFHVURJKSA-N 378.925 4.584 0 40 GJAB CSc1ccccc1NC(=O)COc1cc(C)c(Br)c(C)c1 218837070 JZPNMRIXWYZSCJ-UHFFFAOYSA-N 380.307 4.805 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 223658814 YNCRJWHZRYQJCU-JOCHJYFZSA-N 383.532 4.899 0 40 GJAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1 224585075 WILPZNKEEOXRLY-UHFFFAOYSA-N 383.469 4.703 0 40 GJAB COCCOc1ncc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C 225866617 OFTSVENAWODWSP-UHFFFAOYSA-N 382.504 4.564 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 243113521 JFZGQLUUPOSRCE-KRWDZBQOSA-N 384.907 4.765 0 40 GJAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1cccc(Br)c1 409157998 JMWXRVGEKLRZJD-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB Cn1c(CNc2ccc(-c3ccccn3)cc2)nnc1-c1ccc(Cl)cc1 564558412 HSOKHBHQXZIQDX-UHFFFAOYSA-N 375.863 4.810 0 40 GJAB CC(C)n1c([C@H]2CCCN(C(=O)Cc3ccc(Cl)cn3)C2)nc2ccccc21 585080925 VAOAHIJBELAWFF-INIZCTEOSA-N 396.922 4.614 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccc(F)c(F)c2)CN1c1cccc(F)c1 1615123922 WELLCNUFPWNLMA-QFIPXVFZSA-N 388.433 4.768 0 40 GJAB CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1N(Cc1ccccc1)Cc1ccccc1 1772594419 MBXLTBHIWPJLGG-QPPBQGQZSA-N 390.527 4.827 0 40 GJAB CCc1nc(SCC(=O)N2c3ccccc3C[C@@H]2C)c2c(C)c(C)sc2n1 1372150 VPEBRLWUJRTXGU-LBPRGKRZSA-N 397.569 4.940 0 40 GJAB C[C@@H]1CCc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2C1 1510191 NXMWYPIPGXOPMB-CQSZACIVSA-N 376.481 4.751 0 40 GJAB COc1ccc(CSc2nnc3c4c5c(sc4ncn23)C[C@H](C)CC5)cc1 2298555 VVQGEWSIXUOBIE-GFCCVEGCSA-N 396.541 4.765 0 40 GJAB O[C@@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N(Cc1ccccc1Cl)CC2 2417618 DHAIHTADTTVAFV-YFXJRYMSSA-N 399.918 4.937 0 40 GJAB CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C)c3)cc12 2497198 DYQGVQBERRVKIM-UHFFFAOYSA-N 377.849 4.706 0 40 GJAB O=C1OC(c2ccco2)=N/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 2742606 XZVXYTDOHXQQEQ-PDGQHHTCSA-N 379.799 4.857 0 40 GJAB Cc1cc(C)cc(OCc2ccc(/C=C3\N=C(S)N(CC(C)C)C3=O)o2)c1 2791761 POCPNJWWSSGQKL-GRSHGNNSSA-N 384.501 4.600 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3193014 MUJYKUZSZPNVIB-UHFFFAOYSA-N 397.434 4.578 0 40 GJAB Cc1cc(C)c2c(c1)SC1=N[C@@](c3ccccc3)(C(F)(F)F)NC(=O)N12 3218944 WGYWDFXVNJYPQR-KRWDZBQOSA-N 377.391 4.710 0 40 GJAB Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21 4724164 MTTHZWYSCSYXGX-FQEVSTJZSA-N 392.282 4.838 0 40 GJAB CCOc1ccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc1 4823945 SWQXOFNUMHAZMD-UHFFFAOYSA-N 399.922 4.964 0 40 GJAB O=C(N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 5165614 GCJCQNYPUQLBAL-CQSZACIVSA-N 379.070 4.845 0 40 GJAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(F)cc1F 6653482 NYUQXYWWNWWFLI-FQEVSTJZSA-N 377.394 4.555 0 40 GJAB CC(=O)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 6905929 RVTUEAZJROQQAH-UHFFFAOYSA-N 381.435 4.994 0 40 GJAB C[C@H](C(=O)Nc1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 6931786 GIWWCJGEJQEIGD-MWTRTKDXSA-N 395.462 4.740 0 40 GJAB Cc1ccc(CNC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 7063870 SZHWOZWBMFTFRH-UHFFFAOYSA-N 389.282 4.854 0 40 GJAB Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCCc3ccccc32)n1 7719455 LSWGQABVHPRDKR-UHFFFAOYSA-N 389.524 4.979 0 40 GJAB COc1cccc(CN(C)Cc2csc(Nc3ccc(C)cc3)n2)c1OC 7736884 OCTNCVSGQDJSPK-UHFFFAOYSA-N 383.517 4.844 0 40 GJAB COc1ccc2c(c1)CCc1cc(C(=O)NCC3(N(C)C)CCCCC3)sc1-2 7989089 NRLCXPROZPZICM-UHFFFAOYSA-N 398.572 4.517 0 40 GJAB Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)oc2ccccc12 8135827 XEMDRYFUSWGJHV-SFHVURJKSA-N 379.847 4.648 0 40 GJAB CCCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O 8195368 GHSJXYTWDOIBAM-UHFFFAOYSA-N 395.528 4.661 0 40 GJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1cccc(Cl)c1Cl 8496635 OFOSDCRFEKZAKG-UHFFFAOYSA-N 381.288 4.667 0 40 GJAB O=C(c1cccc(N2CCCC2=O)c1)c1cc2cc(Br)ccc2o1 11157928 XANVTXDPIWFUBC-UHFFFAOYSA-N 384.229 4.553 0 40 GJAB CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ncccc1C 11565866 VUHARZLVFZJFOZ-UHFFFAOYSA-N 376.522 4.667 0 40 GJAB CCOCCn1/c(=N/C(=O)/C=C/c2cccs2)sc2cc(Cl)ccc21 12378502 WIGQSHUSKDZYHE-PTYIPUSCSA-N 392.933 4.595 0 40 GJAB Cc1nc(S[C@H](C)C(=O)c2ccc(Cl)cc2)n(C[C@@H]2CCCO2)c1C 12552998 HLNNMTOJOPSXPO-PBHICJAKSA-N 378.925 4.696 0 40 GJAB CN(Cc1nc2ccccc2[nH]1)C(=O)CCCOc1ccc(C(C)(C)C)cc1 12751792 MOFBONAFNAEQIO-UHFFFAOYSA-N 379.504 4.678 0 40 GJAB COc1cc(/C=C/C(=O)N2CCc3sccc3[C@H]2C)ccc1OC(F)F 12776360 SZBIOSFGWQRUAW-FVOPLDGLSA-N 379.428 4.517 0 40 GJAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccc(SC(F)F)cc1 13004985 BJUYBQMAFQFOIS-LLVKDONJSA-N 391.395 4.514 0 40 GJAB Cc1ccc(OCc2nc3ccccc3n2CC(=O)N[C@@H](C)c2ccccc2)cc1 13096669 DWXJOPWQEAVWKS-IBGZPJMESA-N 399.494 4.801 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1C 13646036 QQQGBSLXQVOUIX-HNNXBMFYSA-N 389.879 4.848 0 40 GJAB COc1cccc(-c2nc(C)c(C(=O)NCCc3c[nH]c4ccccc34)s2)c1 13685775 RNBMQPANFXFPNR-UHFFFAOYSA-N 391.496 4.581 0 40 GJAB O=P1(c2ccccc2)CN(Cc2ccccc2)CN(Cc2ccccc2)C1 19324990 CPTTVZPDNYTFSJ-UHFFFAOYSA-N 376.440 4.566 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 20112048 CAFHYVKPPMCFRO-SFHVURJKSA-N 383.488 4.975 0 40 GJAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(Br)o1 22615221 JDCFZJMBGRZJKV-UHFFFAOYSA-N 398.562 4.889 0 40 GJAB C[C@H](c1nc2scc(-c3cccs3)c2c(=O)[nH]1)N1CCc2ccccc2C1 23909382 QXPJDRALLALXBY-CYBMUJFWSA-N 393.537 4.832 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 24927532 UQBCXUPBZTWSOB-UHFFFAOYSA-N 391.500 4.940 0 40 GJAB O=C(CS[C@H](Cc1ccccc1)C(=O)c1ccccc1)Nc1ccccc1 27825281 KDFNDCGSVZMVFB-OAQYLSRUSA-N 375.493 4.853 0 40 GJAB CCCCc1nnc(NC(=O)c2ccccc2Nc2ccccc2OC)s1 32598920 KRRGMLBTHVUIIT-UHFFFAOYSA-N 382.489 4.885 0 40 GJAB CC(C)c1ccc([C@H](C)NC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 32802308 QSYSMCNLZMFMDO-LAUBAEHRSA-N 376.504 4.693 0 40 GJAB C[C@H]1CCCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)C1 32815692 RAEAHYSEPQYUBN-ZDUSSCGKSA-N 377.410 4.641 0 40 GJAB Cc1cc(I)ccc1NC(=O)[C@H](C)Sc1ccccc1 36839102 UXPDNIUZABMNNY-LBPRGKRZSA-N 397.281 4.719 0 40 GJAB CCSc1ccccc1C(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 44204241 OBCYYLLURXJNMF-AWEZNQCLSA-N 399.541 4.930 0 40 GJAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(CN2CCCC2)cc1 44915905 AQBXOETWQSFWBC-UHFFFAOYSA-N 384.479 4.766 0 40 GJAB COc1ccc(Cl)cc1Nc1c(-c2nc(C)no2)cnc2nc(C)ccc12 49420749 YWTYQNBDIFQSCN-UHFFFAOYSA-N 381.823 4.702 0 40 GJAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1cccc(F)c1 57487259 MEOXBMLNAJAHKA-UHFFFAOYSA-N 396.809 4.636 0 40 GJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(OC)cc1)CO3 58088653 NFWHNYXNJLCTLX-UHFFFAOYSA-N 393.483 4.805 0 40 GJAB biogenic C[C@]1(C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)CC1(Cl)Cl 58152594 WVEOSWOQUMVQAK-QGZVFWFLSA-N 381.328 4.833 0 40 GJAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3)n2)cc1 64579632 COFONVWIFPSLTH-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB CC(=O)c1cccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)c1 67257216 WJCOQXVZALAPLN-UHFFFAOYSA-N 395.459 4.525 0 40 GJAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(CCCc2ccccc2)C1 72358897 PHVMGSBAVAVVDI-OAQYLSRUSA-N 387.527 4.964 0 40 GJAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N1CCO[C@H]2CCC[C@H]21 78698427 PBNNQAGITVTRSG-YADHBBJMSA-N 392.474 4.687 0 40 GJAB O=C(Nc1nnc(CCOc2ccc(Cl)cc2)s1)c1ccccc1Cl 95116493 LJDDYHRHNSMXCY-UHFFFAOYSA-N 394.283 4.719 0 40 GJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1nc(-c2c(F)cccc2F)co1 95413776 JISFWWXDLIIMJZ-UHFFFAOYSA-N 393.393 4.966 0 40 GJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(C(C)(C)C)cc1 95482193 IEMLGQWKHYKKPH-UHFFFAOYSA-N 383.879 4.960 0 40 GJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)c2ccccc21 96053038 XLDQLNFOOOWJOG-FQEVSTJZSA-N 394.559 4.868 0 40 GJAB COc1ccc2cc(C(=O)N(CCc3cccs3)Cc3ccoc3)[nH]c2c1 96120664 XDFBMMZEXVFSJD-UHFFFAOYSA-N 380.469 4.716 0 40 GJAB CCc1ccccc1NC(=O)CSc1nnc(COc2cc(C)cc(C)c2)o1 216035038 WGYJCYRKAIOQTL-UHFFFAOYSA-N 397.500 4.559 0 40 GJAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 223242490 APEXTNAXSUPPOK-VGOFRKELSA-N 396.962 4.918 0 40 GJAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 224096181 VKBLKDXEVALACF-UHFFFAOYSA-N 394.559 4.779 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(C)c(C)c1 224461324 LXLDHZINGQDWLZ-QHCPKHFHSA-N 377.484 4.809 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1 224516461 QCDWMMZCQMVTTP-HXUWFJFHSA-N 394.559 4.798 0 40 GJAB CN1CCC(Oc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 224574319 LBDAQNDAGUDIJZ-UHFFFAOYSA-N 378.516 4.610 0 40 GJAB Cc1ccc(OCCNC(=O)CSCc2cccc3ccccc23)cc1C 224954394 IXYCNJBDQVHAGX-UHFFFAOYSA-N 379.525 4.885 0 40 GJAB O=C(NCC1=N[C@@H](c2ccccc2)c2ccccc2-n2cccc21)c1cccs1 225375870 YDPZHFKWSSUSCR-QHCPKHFHSA-N 397.503 4.861 0 40 GJAB Clc1ccc(CN2CCCC[C@@H]2c2ccc(Nc3cnccn3)nc2)cc1 257239823 HQXYVCDRCJLMDB-LJQANCHMSA-N 379.895 4.996 0 40 GJAB Cc1ccccc1N1CCC(N(CCC(=O)O)Cc2cccc(Cl)c2)CC1 257251771 JSDBDZVTTSMSMV-UHFFFAOYSA-N 386.923 4.594 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cccc(-c3cccc(C(=O)O)c3)n2)C1 257262914 LNPTYLJRDDQHHO-QGZVFWFLSA-N 382.460 4.561 0 40 GJAB O=Cc1ccc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 408600100 UMRCBBMZQGEYMX-UHFFFAOYSA-N 389.495 4.984 0 40 GJAB CCCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(C)cc(C)c3o2)c1 408627570 LUEPAVWIHSPPEQ-UHFFFAOYSA-N 397.500 4.820 0 40 GJAB COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)NCc2cccnc2)c1 541450441 PDZFQKNOLOVVLM-GOTSBHOMSA-N 387.483 4.531 0 40 GJAB COc1ccc2ccccc2c1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(C)=O 585261200 FOVPWAIECFZDPA-XBWGSEQYSA-N 393.527 4.867 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)NC[C@@]2(C)CC2(F)F)cc1F 665852308 GBGZUMCMHXIALR-GOSISDBHSA-N 380.366 4.793 0 40 GJAB Cc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)C2(F)CCC2)cc1 2056225535 PTQNHYMWKWEMOC-UHFFFAOYSA-N 379.475 4.949 0 40 GJAB CC(=O)Nc1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 784496 WHAYSEJQRJMTMG-UHFFFAOYSA-N 377.425 4.619 0 40 GJAB Cc1ccc2cc(CN(C(=S)NCC(C)C)C3CCCCC3)c(=O)[nH]c2c1C 931886 HMDLBNFYDLNPNL-UHFFFAOYSA-N 399.604 4.810 0 40 GJAB COc1ccc(-c2cc(=O)c3cc(OC(=O)C4CCCCC4)ccc3o2)cc1 955664 GXRPNINLWHBHGD-UHFFFAOYSA-N 378.424 4.954 0 40 GJAB biogenic O=C(O[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Cl)cc1 1400734 YQBNMSSUPOHAGA-HXUWFJFHSA-N 377.827 4.785 0 40 GJAB CCOC(=O)c1c(C)[nH]c(C)c1-c1csc(NCc2ccccc2OC)n1 3325967 JHQPBOIHVPVDJS-UHFFFAOYSA-N 385.489 4.552 0 40 GJAB CCOc1ccc(-c2nc(-c3cccs3)c(CC(=O)O)s2)cc1OC 3379114 IVHOVMBWKSZIPZ-UHFFFAOYSA-N 375.471 4.573 0 40 GJAB CCOc1ccccc1OCCCC(=O)Nc1ccc(Br)cc1C 3386190 ZUDPQLAUJGQOGJ-UHFFFAOYSA-N 392.293 4.954 0 40 GJAB Cc1ccc(NC(=O)c2ccc(C)c(N3C(=O)c4ccccc4C3=O)c2)c(C)c1 4071534 ITGYHPGXUVJQMD-UHFFFAOYSA-N 384.435 4.665 0 40 GJAB CNC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2 4326512 OCDSNKUPDXJNQX-UHFFFAOYSA-N 397.327 4.936 0 40 GJAB CCOc1ccccc1-c1csc(NC(=O)c2cc3ccccc3oc2=O)n1 4369253 ADUBDCKQMKAFGK-UHFFFAOYSA-N 392.436 4.568 0 40 GJAB Brc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@@H](c1ccncc1)O2 4690069 OECXDQQNWHIUCS-VQIMIIECSA-N 396.244 4.679 0 40 GJAB O=C1O[C@](Oc2ccc(Br)cc2)(c2ccccc2)c2ccccc21 4747984 UHKDOMLVZWOWIM-HXUWFJFHSA-N 381.225 4.900 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 5512419 LNWGFHYOSTVQBH-UHFFFAOYSA-N 380.879 4.506 0 40 GJAB Cc1ccc2nc(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)[nH]c2c1 6537155 MEIGTFSSWOQVSP-UHFFFAOYSA-N 381.288 4.612 0 40 GJAB Cc1cccc(CN2C(=O)N(c3ccccc3C)S(=O)(=O)c3ccccc32)c1 7615871 ZZFSALBFDXIFRJ-UHFFFAOYSA-N 392.480 4.639 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 7929409 GOUKKGKMQJTGRX-OAHLLOKOSA-N 385.891 4.986 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1CN1CCCC1 8013138 MYGPXPAUYJREKU-UHFFFAOYSA-N 397.569 4.706 0 40 GJAB COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c(OC)c1 8071890 RRMSQVHMWMICGL-UHFFFAOYSA-N 392.386 4.903 0 40 GJAB COc1cccc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 8115191 NUMAZWIXGBCVMR-BREAQWACSA-N 375.493 4.944 0 40 GJAB O=C(Cc1c(Cl)cccc1Cl)NCc1csc(-c2ccccc2)n1 9112874 YLUJTARHGNTNLG-UHFFFAOYSA-N 377.296 4.976 0 40 GJAB Cc1cc(NC(=O)[C@@H](Nc2ccc3nc(C)sc3c2)c2ccccc2)no1 9315082 SFRXGYKDYYHJME-IBGZPJMESA-N 378.457 4.693 0 40 GJAB CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(Nc2ccccc2)s1 11541385 QRKKUPGKEKNDFN-ZFWWWQNUSA-N 376.551 4.553 0 40 GJAB C[C@@H](C(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1)c1ccccc1 12132067 GDHPRPSWPGBGHN-OAHLLOKOSA-N 378.497 4.521 0 40 GJAB Cc1occc1-c1nc(NCc2cccc(Cl)c2)ncc1-c1cnccn1 12252459 XSWBNSUBCLUGHS-UHFFFAOYSA-N 377.835 4.768 0 40 GJAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4Cl)c3)cn2n1 12441172 IVCAAJWPEURENQ-UHFFFAOYSA-N 392.846 4.619 0 40 GJAB Cc1ccc(/N=c2\scc(-c3ccc4c(c3)NC(=O)CO4)n2C(C)C)cc1 12541740 AUBMTEXQXFQYMV-DQRAZIAOSA-N 379.485 4.669 0 40 GJAB O=C(Nc1cccc(CNc2nc(-c3ccncc3)nc3ccccc23)c1)C1CC1 12779804 YAOLXTYQTNZGDN-UHFFFAOYSA-N 395.466 4.652 0 40 GJAB CCOc1cc2c(cc1NC(=O)COc1cc(Cl)ccc1Cl)O[C@H](C)C2 12999732 GMWLDGYOGMARQQ-LLVKDONJSA-N 396.270 4.733 0 40 GJAB Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(F)cc2)cc1 13040988 XXZCFHXHJXUPQF-UHFFFAOYSA-N 389.430 4.702 0 40 GJAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)c3ccccc3F)cc2)n1 13228160 NRFJHEQJCWTJFT-UHFFFAOYSA-N 398.441 4.583 0 40 GJAB CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)c1 20610114 RVNWTZXUUJYZGW-UHFFFAOYSA-N 386.455 4.634 0 40 GJAB CCCC(=O)Nc1ccc2nc(SCC(=O)N(C)c3ccccc3)sc2c1 20894837 YEHBOYULFBMOLU-UHFFFAOYSA-N 399.541 4.790 0 40 GJAB CCOC(=O)N1CCC(C(=O)Oc2ccc(-c3ccccc3)cc2Cl)CC1 24042983 RRHHENWRPNGYMQ-UHFFFAOYSA-N 387.863 4.781 0 40 GJAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)c1ccc(OC(C)C)cc1 32610192 NBOVQYKNKFXCPX-UHFFFAOYSA-N 397.450 4.715 0 40 GJAB CCc1ccc(Cn2nccc2NC(=O)c2cc3ccc(F)cc3nc2C)cc1 32857714 LEWULHVNJSGISP-UHFFFAOYSA-N 388.446 4.742 0 40 GJAB Cc1ccc(CSc2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2C)cc1 33616533 ORASAJFSTUCIDX-LJQANCHMSA-N 394.544 4.543 0 40 GJAB CCCCCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(CC)nn32)c1=O 40395878 CNJHGZJWPIMQDD-UHFFFAOYSA-N 395.894 4.512 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc4ncccc4c3)n2)c1 58014478 OYTKXTXYWWHZBD-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB Cc1ccc(-c2n[nH]cc2CNCc2ccc(COCc3ccccc3)cc2)o1 58053838 MKUIDQXVNUPEMU-UHFFFAOYSA-N 387.483 4.985 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CC=C(c2ccc(O)cc2)CC1 71886856 DXSLSCHZWQCKOO-RTBURBONSA-N 387.401 4.830 0 40 GJAB CSCC[C@H](C)N(C)CCCc1nc(-c2cccc(C(F)(F)F)c2)no1 72290438 CPANTDLUAIMDRA-ZDUSSCGKSA-N 387.471 4.761 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 72329344 FTSSKMKOBBZMKV-HNNXBMFYSA-N 397.906 4.880 0 40 GJAB O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72358200 FTCPJURZQXMENP-QHCPKHFHSA-N 390.458 4.554 0 40 GJAB Nc1c(Cl)cc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1Cl 84541475 CSDXVLDUVRKJRZ-UHFFFAOYSA-N 392.311 4.804 0 40 GJAB Cc1nnc2ccc(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)cn12 95393490 ZZSCTNIFNCAHNA-UHFFFAOYSA-N 378.819 4.736 0 40 GJAB COc1ccccc1[C@H]1SC(C)=Nc2c1c(O)nn2[C@@H]1CCOC(C)(C)C1 95475596 HYTRLZZPWOBMGQ-CXAGYDPISA-N 387.505 4.614 0 40 GJAB CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C1 95933625 XCWWVMIKMXDYJM-INIZCTEOSA-N 396.915 4.869 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119664 LHGBCRFBJVMSNL-UHFFFAOYSA-N 389.411 4.571 0 40 GJAB O=C1O[C@@H](/C(=C\Nc2ccc(Oc3ccccc3)cc2)[N+](=O)[O-])c2ccccc21 100472800 FUMVHXULYBNZFV-JCZXDDDQSA-N 388.379 4.921 0 40 GJAB O=C(c1ccc(Br)cc1)N1CCCC[C@H](c2ccc(F)cc2)C1 211078695 BHHVEVFGILIEFT-INIZCTEOSA-N 376.269 4.998 0 40 GJAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 223075606 GDNPPKSGUFFCMI-NRFANRHFSA-N 394.559 4.570 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1 223975557 NDSSTYIWICEJOF-ZDUSSCGKSA-N 385.335 4.569 0 40 GJAB COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1Cl 224131801 AYWHGPAJSDFHPF-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2I)cc1 225034046 NSCQMLQVPZTTQB-CYBMUJFWSA-N 393.268 4.653 0 40 GJAB C/C=C\C(=C\C=C\C)N1c2[nH]c(=O)c3ccccc3c2C(=O)C12C=CN(CC)C=C2 225647698 NQGSLCQDPRYXFB-XAIQNEFFSA-N 399.494 4.669 0 40 GJAB CC(C)CN1CCC(Cc2cccc(-c3ccncc3)c2)(C(=O)NC(C)C)CC1 257309134 TZRUDYQXBQPISX-UHFFFAOYSA-N 393.575 4.554 0 40 GJAB O=C(CSCc1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1 408564312 VOMABDGILDYLHP-UHFFFAOYSA-N 382.529 4.575 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 1146927181 CHGYHTZWXVMUOJ-INIZCTEOSA-N 395.890 4.560 0 40 GJAB C[C@H](NC(=O)CC1(N2Cc3ccccc3C2=O)CCCCC1)c1ccccc1 1548348427 KTICIGVOHSMUFW-SFHVURJKSA-N 376.500 4.613 0 40 GJAB Cc1cccc(C(=O)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)c1 790228 PEAFMZBFCUTPJM-UHFFFAOYSA-N 386.451 4.581 0 40 GJAB COc1cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc(OC)c1OC 807893 BGHCCVVJUFZGCJ-UHFFFAOYSA-N 398.484 4.705 0 40 GJAB CCCN1C(=O)/C(=C/c2cc3c(cc2C)OCO3)S/C1=N\c1ccccc1 1013990 FPWHAVIJYYFREV-DRPNJFNCSA-N 380.469 4.738 0 40 GJAB O=C(NCc1ccccc1)N(CCc1ccccc1)CCc1nc2ccccc2[nH]1 1360777 OJPSLCARHSXSHE-UHFFFAOYSA-N 398.510 4.560 0 40 GJAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1F)c1nc3ccccc3nc12 1432765 RGRFTQAEEOJLCI-XZOQPEGZSA-N 375.447 4.737 0 40 GJAB COc1ccc(CN(CC[C@H](C(C)C)[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1 2100272 SIEFQYYABPFRTB-IFMALSPDSA-N 375.553 4.911 0 40 GJAB biogenic CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(Cl)cc1 2219287 VIQHNQAELDTCNC-UHFFFAOYSA-N 377.922 4.579 0 40 GJAB Cc1ccc(NC(=O)CCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)cc1 2260469 HTKCNIKJFNWNMV-UHFFFAOYSA-N 397.478 4.709 0 40 GJAB CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2Cl)oc1NC 2345172 BOIWZISLXVEWAY-UHFFFAOYSA-N 379.180 4.582 0 40 GJAB O=C(Nc1cccc(I)c1)c1cccc(Cl)c1Cl 2653080 VREPIUZNSXKYMS-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB C1=NC2=NC3=C([C@@H](c4cccs4)Oc4ccccc43)[C@H](c3ccccc3)N2N1 2707206 HCIYGSKPFCTAAW-LEWJYISDSA-N 384.464 4.552 0 40 GJAB O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)cc1 3037609 AQXOFFMYUJJEMD-PDGQHHTCSA-N 391.404 4.886 0 40 GJAB CCOc1ccc(OC[C@H](O)CN(C)C(c2ccccc2)c2ccccc2)cc1 3436530 RWDLKBPDOWLMHQ-JOCHJYFZSA-N 391.511 4.546 0 40 GJAB COc1ccc(-c2nc(NC(=O)CSc3ccc(F)cc3)sc2C)cc1 5192479 YPTKLSBCGNCVLF-UHFFFAOYSA-N 388.489 4.997 0 40 GJAB Cc1cc(C)cc(C[C@H](C(=O)O)[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 5199505 LRIUCVQDZOCJSG-KDOFPFPSSA-N 393.405 4.840 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1 5219668 NYHNYKWGBIPWFN-UHFFFAOYSA-N 385.464 4.904 0 40 GJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)cc1 5256038 IXNSZIVQFHFLEU-OAQYLSRUSA-N 379.435 4.663 0 40 GJAB COc1ccccc1-c1nnc2n1N=C(c1ccc(Cl)c(Cl)c1)CS2 5573242 ICAPHTFPJNOLKH-UHFFFAOYSA-N 391.283 4.619 0 40 GJAB O=C(Nc1nc2ccccc2s1)[C@@H]1C[C@H]2C[C@@H]1[C@](F)(C(F)(F)F)C2(F)F 5669783 DFAPUXWLYQUGGJ-RSVXVWGFSA-N 394.340 4.797 0 40 GJAB COc1ccc(C)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 5750599 MGWHVJAQYNHUJC-UHFFFAOYSA-N 398.267 4.626 0 40 GJAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1 6345792 JYPRGAWFHFEJQF-KRWDZBQOSA-N 394.515 4.763 0 40 GJAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)CC(C)C)n(C[C@H]2CCCO2)c1C 6665306 UKEDUBQEWHJZDY-QGZVFWFLSA-N 394.519 4.812 0 40 GJAB CN(C)C(=O)[C@H](Sc1nn(-c2ccccc2)c(=S)s1)c1ccccc1 6843099 RIKAFBWFRUUSHO-OAHLLOKOSA-N 387.555 4.585 0 40 GJAB COc1ccc(NCC(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1 7846667 WBRBAFGLXFZLGL-UHFFFAOYSA-N 378.428 4.547 0 40 GJAB CCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccccc1Cl 8254102 QNKBEDMDCNYBET-UHFFFAOYSA-N 398.330 4.832 0 40 GJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)[C@@H](C)c1ccccc1 10226428 ZUGHSRCTFUCPBM-KRWDZBQOSA-N 386.499 4.652 0 40 GJAB CC(C)(C)SCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12750161 NTTUYEBJFVMXOL-UHFFFAOYSA-N 397.519 4.826 0 40 GJAB COc1ccc([C@H](NCC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2)cc1 12920926 BWWCGMCKRBVLEJ-RUZDIDTESA-N 386.495 4.502 0 40 GJAB CC(C)(C)c1ccc(/C=C(\Cl)c2nc3cc(C(=O)O)ccc3c(=O)[nH]2)cc1 13351439 IXPAAMNKAPFWDI-YBEGLDIGSA-N 382.847 4.656 0 40 GJAB Cc1ccc(SCc2ccc(C(=O)NCCCN3CCCCC3)cc2)cc1 13672003 UGXSVFAEHWWBHR-UHFFFAOYSA-N 382.573 4.893 0 40 GJAB O=C(Cc1ccc(NC(=O)c2ccccc2Cl)cc1)NCc1cccs1 13716675 YOHUPBAFQFCPSI-UHFFFAOYSA-N 384.888 4.513 0 40 GJAB Clc1ccccc1OCc1nn2c(-c3cc4ccccc4[nH]3)nnc2s1 13726851 KUBVIWFNTMVJRP-UHFFFAOYSA-N 381.848 4.567 0 40 GJAB CC(C)c1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 13733293 PLCHCETYHZPENT-ZDUSSCGKSA-N 385.851 4.919 0 40 GJAB C[C@@H](CCc1ccccc1)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 14000525 CCOYZQRQVWLRRO-SFHVURJKSA-N 397.950 4.538 0 40 GJAB CN(Cn1nc(-c2ccco2)n(C)c1=S)C(c1ccccc1)c1ccccc1 14197743 CHDLFRNWXRPDAC-UHFFFAOYSA-N 390.512 4.890 0 40 GJAB Cc1c(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)oc2ccc(F)cc12 14527214 JQDZBKXDYVMWMH-UHFFFAOYSA-N 387.480 4.821 0 40 GJAB COc1ccc(CCC(=O)N(c2ccccc2)c2nc(C)cs2)cc1OC 14586580 ACRMKXDIAYWWEQ-UHFFFAOYSA-N 382.485 4.766 0 40 GJAB COc1ccc(C(C)=O)cc1CSc1nc(NC2CC2)c2ccccc2n1 17736130 NSULNLLETITBOW-UHFFFAOYSA-N 379.485 4.708 0 40 GJAB Cc1ccc([C@](O)(CNCc2ccccc2)c2ccc(Br)cc2)cc1 19205338 XYPQNHOULXSCBA-JOCHJYFZSA-N 396.328 4.783 0 40 GJAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)Cc3ccccc3C)CC2)C1 19237138 BZULHYUAGXQAAZ-UHFFFAOYSA-N 392.543 4.549 0 40 GJAB CCc1cccc(NC(=O)[C@H](CC)n2nc(-c3cc(C)ccc3C)ccc2=O)c1 20095638 QJCAPCLBBWOQEB-QFIPXVFZSA-N 389.499 4.679 0 40 GJAB O=C(OCc1coc(-c2ccccc2)n1)c1occc1COc1ccccc1 21918638 MSLONAZMHJVPFV-UHFFFAOYSA-N 375.380 4.871 0 40 GJAB O=C(Nc1cccc(Cn2ccnc2)c1)c1cc(-c2ccco2)nc2ccccc12 25183465 LGXKYEUZKIUDBZ-UHFFFAOYSA-N 394.434 4.992 0 40 GJAB CCCOc1ccccc1C(=O)NCCc1csc(-c2ccc(C)cc2)n1 28288586 WZBUVKBJVBUVKQ-UHFFFAOYSA-N 380.513 4.880 0 40 GJAB Cc1csc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 28638050 DDCYWDMAWLOJLC-UHFFFAOYSA-N 384.301 4.507 0 40 GJAB Cc1cccc(COc2cccc(C(=O)N(C)Cc3nc4ccccc4[nH]3)c2)c1 30659844 VXPKFCSACRPTCR-UHFFFAOYSA-N 385.467 4.723 0 40 GJAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NC1CCCCCC1 32578749 RNJNQVCSUQVAPA-UHFFFAOYSA-N 391.471 4.621 0 40 GJAB COC(=O)c1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2ccccn12 35616076 UYUVLLSVTGYZPY-UHFFFAOYSA-N 386.455 4.598 0 40 GJAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)c1OC(C)C 36354370 FPNUWEVQDOJLNG-QGZVFWFLSA-N 395.434 4.931 0 40 GJAB COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)s2)cc1 36705301 FEJJRQBOEGUSQM-MRXNPFEDSA-N 394.500 4.625 0 40 GJAB CC1(C)CC(N(Cc2cccnc2)Cc2ccc3ncccc3c2)CC(C)(C)N1 36740530 DVEKBRNPANBVDA-UHFFFAOYSA-N 388.559 4.941 0 40 GJAB CCOC(=O)c1c(NC(=O)c2sccc2Br)sc(C)c1C 40128873 VOQGFUVRXZZLIJ-UHFFFAOYSA-N 388.308 4.618 0 40 GJAB Cc1nc(C2(NC(=O)CCCOc3cccc4ccccc34)CCCCC2)no1 40132307 VDVSORSKDBLFHP-UHFFFAOYSA-N 393.487 4.666 0 40 GJAB C[C@H](N[C@@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1cc(F)ccc1F 57452025 GZIVWNPYFBUNDP-BUXKBTBVSA-N 390.430 4.872 0 40 GJAB Cc1ccc(F)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1nccs1 67296140 FXGLRUNCIXDNMZ-NMWGTECJSA-N 379.416 4.822 0 40 GJAB CCOc1cc(C(=O)NCc2ccc(F)c(Cl)c2)cc(OCC)c1OCC 72070769 KXXYCKPWPPJVRB-UHFFFAOYSA-N 395.858 4.605 0 40 GJAB Cc1nc(Cl)sc1C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 72311876 BWKLJEQFXGXIDK-UHFFFAOYSA-N 389.839 4.749 0 40 GJAB CCCNC(=O)CCCC(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 78989277 ZZBHJYJZMOGOTM-HNNXBMFYSA-N 399.331 4.549 0 40 GJAB COc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=S)Nc1ccccc1 89473543 YCTXIHDXJCKXHX-SFHVURJKSA-N 377.469 4.836 0 40 GJAB COc1ccc([C@H](C)C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1 95957259 OQBCTPLIHRXGFJ-HNNXBMFYSA-N 375.472 4.809 0 40 GJAB O=C(c1ccccc1-c1ccccc1)N1Cc2ccccc2C2(CCNCC2)C1 96268277 TVVMZSPBOIZFOL-UHFFFAOYSA-N 382.507 4.631 0 40 GJAB CC(C)c1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1 98211359 OFPQAWMLFSMMPY-UHFFFAOYSA-N 386.455 4.967 0 40 GJAB COc1cccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1OC 169682509 DRMWSOVOERZZOW-LNFXXPKLSA-N 379.456 4.699 0 40 GJAB CCn1c(S/C(=C\c2cccs2)C(=O)O)nnc1-c1ccc(Cl)cc1 211522012 DWIGYWPJTXGEOG-UVTDQMKNSA-N 391.905 4.898 0 40 GJAB COc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1SC 223437911 ZURIHSZLDMPNST-UHFFFAOYSA-N 378.302 4.525 0 40 GJAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1Cl 224150119 BNPOTZVLCIAIOX-HNNXBMFYSA-N 396.314 4.881 0 40 GJAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(N2CCCCC2)cc1 224827473 ULVBOOBDIHSRLM-UHFFFAOYSA-N 391.559 4.593 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCCC1 225349900 QLHUNFSIRVRJLU-UHFFFAOYSA-N 391.298 4.801 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 225585560 JDTLWRNPBCSPII-NZQKXSOJSA-N 394.559 4.568 0 40 GJAB Cc1ccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)c(C)c1 225803125 CWBMVANJAJFRLK-UHFFFAOYSA-N 389.377 4.944 0 40 GJAB COc1cccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3Cl)n2)c1 225823060 KYFXPYNJAFYJHN-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB C[C@H](NC(=O)CCc1nc(-c2cccc3ccccc23)no1)c1ccc(F)cc1 225830367 DRVCMLFJPDBWTF-HNNXBMFYSA-N 389.430 4.839 0 40 GJAB CCSc1ccccc1C(=O)N1C[C@H](c2ccccc2)[C@H](c2nc(C)no2)C1 238820293 CMJMCBROCRMITN-RTBURBONSA-N 393.512 4.513 0 40 GJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cccc(C(F)(F)F)c3)S2)cc1 408781295 BUJNRRCGDKWODH-QMJOVRGKSA-N 378.419 4.867 0 40 GJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc3c(c1)OCO3)N2 408993467 DEYGOIMKPVRNFE-LEOXJPRUSA-N 385.419 4.585 0 40 GJAB O=C(CCNC(=O)OCc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 409002472 NQHDKUUNBMZGKK-UHFFFAOYSA-N 388.423 4.841 0 40 GJAB CN(C)[C@@H](CNC(=O)c1ccc2ncsc2c1)c1csc2ccccc12 575621859 WGGHSZIUMFZWCN-KRWDZBQOSA-N 381.526 4.544 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc(C)c1C 673334 BBOJSYRSXYKVMH-LBPRGKRZSA-N 395.908 4.909 0 40 GJAB COC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 715537 GRGCXORMKXVICK-UHFFFAOYSA-N 382.419 4.557 0 40 GJAB COCc1cc(C)c2c(N)c(C(=O)c3ccc(Cl)cc3Cl)sc2n1 719844 BZVFVXRYRYQKRQ-UHFFFAOYSA-N 381.284 4.871 0 40 GJAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1 873598 WKHAQTLUWWVSQD-UHFFFAOYSA-N 391.423 4.708 0 40 GJAB COC(=O)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 1260237 VAENCGAWMOWKMR-UHFFFAOYSA-N 387.530 4.507 0 40 GJAB CCCN(C(=O)Cc1ccccc1OC)c1nnc(-c2ccccc2C)s1 1345317 KASVHRIAGZXHKG-UHFFFAOYSA-N 381.501 4.508 0 40 GJAB O=C(NC1CCCCC1)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 1360750 RAWXQPKXUVIGCW-UHFFFAOYSA-N 394.494 4.789 0 40 GJAB O[C@@H]([C@@H](c1ccccc1)N1CCCCC1)C(O)(c1ccccc1)c1ccccc1 1690375 WCNZEPPRMMCDML-RPBOFIJWSA-N 387.523 4.511 0 40 GJAB COC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2096173 CFQDGUBGISEANG-UHFFFAOYSA-N 382.243 4.578 0 40 GJAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(OC)c2)cc1 2250055 ZYGGYMNJPUHPAB-UHFFFAOYSA-N 382.423 4.653 0 40 GJAB CCOCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 2260690 GCKVOUFXFKYZNB-UHFFFAOYSA-N 392.590 4.971 0 40 GJAB Cc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn23)cc1 2404220 CBWZEIISFZEVLS-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB COc1cccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)c1OC 2961414 DMJLHZVNXCGZMG-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1sc2ccccc2c1Cl 3340703 DRUDQFKBWPRHJI-NSHDSACASA-N 389.860 4.747 0 40 GJAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)C1(C)C 4717199 ODVRQBMHIDGPLA-AZUAARDMSA-N 395.572 4.697 0 40 GJAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)cc2)C1 5747847 CIUDRPDXYRKULS-HUUCEWRRSA-N 386.542 4.630 0 40 GJAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(C(F)(F)F)cc1 6154160 HWXKFOPSLSVKHP-UHFFFAOYSA-N 387.283 4.713 0 40 GJAB C[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)c1nc2ccccc2c(=O)[nH]1 6291733 XNKRFTQULKFUMR-OAHLLOKOSA-N 386.407 4.633 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2cccc(OC(F)F)c2)cc1OCC 6309258 JGJRIGFLIVJVMT-ZDUSSCGKSA-N 379.403 4.576 0 40 GJAB Cc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1Cl 6846339 KEJGWWBDGJMYBD-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB O=c1c2ccccc2nnn1CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 6939959 DBYCAHAIHIXOBO-FQEVSTJZSA-N 393.899 4.925 0 40 GJAB Cc1ccc(SCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 7407314 IBEBSNWLQFUTFL-UHFFFAOYSA-N 392.528 4.711 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(Cl)c1Cl 8306481 OQPBLIKLIDSOQO-UHFFFAOYSA-N 380.680 4.765 0 40 GJAB O=C(CCc1ccccc1)NCCSc1ncc(C(F)(F)F)cc1Cl 8718667 JHFZYDUCFDHGQS-UHFFFAOYSA-N 388.842 4.595 0 40 GJAB CCCn1c2ccccc2c2nnc(S[C@H](C)C(=O)Nc3ccccc3)nc21 12539492 UFHJDBFWCYKBJQ-CQSZACIVSA-N 391.500 4.509 0 40 GJAB COc1cc(C)c(NC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1OC 12908054 BWEALZXNUMHRCR-UHFFFAOYSA-N 398.484 4.608 0 40 GJAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1OCC(F)(F)F 12950062 INBKANXQAUWXDA-UHFFFAOYSA-N 396.390 4.834 0 40 GJAB C[C@@H](NC(=O)c1cccs1)c1nc2ccccc2n1Cc1ccccc1F 13582014 RLFWQMOGTDTNOA-CQSZACIVSA-N 379.460 4.776 0 40 GJAB COc1cc(NC(=O)c2ccccc2SCc2cc(C)no2)cc(OC)c1 14182208 VLICAAZDPFHOMZ-UHFFFAOYSA-N 384.457 4.545 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1OC 15589379 PRNSUIDHIMWVJY-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB Cc1ccc(-c2nnc(CNC(=O)C3(c4ccccc4)CCCCC3)o2)s1 19217895 MLUCYLMAXAISRB-UHFFFAOYSA-N 381.501 4.625 0 40 GJAB Cc1cccnc1[C@@]1(O)CC[C@@H]2CN(CC(c3ccccc3)c3ccccc3)C[C@@H]21 19237861 UQUCPSZTLBWOQG-NRRYGQPISA-N 398.550 4.752 0 40 GJAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(Cl)cc1Cl)C2=O 19325191 RCLMOECMSYIMBN-UHFFFAOYSA-N 381.347 4.779 0 40 GJAB Fc1ccc(-c2cnc(-c3ccncc3)c(CNCCc3ccccn3)c2)cc1 19401358 WPQZHMMZYBHGTE-UHFFFAOYSA-N 384.458 4.677 0 40 GJAB O=C1C2=C(CCCC2)[C@@H](NCCc2ccc(Cl)cc2)N1CCc1ccccc1 20130256 VRTGRADPAUZFKI-QHCPKHFHSA-N 394.946 4.754 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1OC 20462640 GLAGHKUTSIHDIT-LJQANCHMSA-N 377.937 4.968 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 22530273 RAYBJMHOOFZCFA-OXQOHEQNSA-N 393.483 4.892 0 40 GJAB CC(=O)NCc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)o1 23386359 BOYJQPQZDLXFOS-UHFFFAOYSA-N 381.379 4.802 0 40 GJAB Cc1c(C(=O)N[C@H]2CCOc3ccccc32)oc2ccc(Br)cc12 23646540 QPMXXKBAOSTMBB-HNNXBMFYSA-N 386.245 4.757 0 40 GJAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 24749036 KQOMHGJXBJSQSH-UHFFFAOYSA-N 391.315 4.746 0 40 GJAB CCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c2cccnc12 28293584 BUEZXRKWMSBOAN-HNNXBMFYSA-N 382.435 4.959 0 40 GJAB COc1cccc(-c2nc(C(=O)N(C)[C@@H]3CCc4ccccc43)cs2)c1OC 29648452 ZBSQGRPWHKVMRW-GOSISDBHSA-N 394.496 4.587 0 40 GJAB COc1ccc(Br)cc1CNCc1ccnc(Oc2ccccc2)c1 30901743 QWLVVRVIYQKOKM-UHFFFAOYSA-N 399.288 4.935 0 40 GJAB CCOc1ccccc1NC(=O)c1sc(=S)n2c1nc(O)c1ccccc12 33251432 BLXXWYRHVAWMHF-UHFFFAOYSA-N 397.481 4.635 0 40 GJAB Cc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1 35826122 KAAUUIXIYBURJB-ZSOIEALJSA-N 378.247 4.587 0 40 GJAB CN(Cc1ccccc1NC(=O)c1ccc(-n2cccn2)cc1)C1CCCCC1 40039649 MFCWGRITMFHBEE-UHFFFAOYSA-N 388.515 4.889 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 44901334 GMPJXRBBRGMESV-LJQANCHMSA-N 382.504 4.628 0 40 GJAB C[C@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2Cl)n(C)c1=S 57455890 MGFYUUMYAXDYBU-LBPRGKRZSA-N 390.965 4.910 0 40 GJAB CCOc1ccc2cc(CN(C)c3ccc(N4CCCCC4)cc3)c(=O)[nH]c2c1 57719704 GLTHDAKYOQKBSV-UHFFFAOYSA-N 391.515 4.554 0 40 GJAB CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 96052625 UYMUWNQMGAJGGF-HXUWFJFHSA-N 394.534 4.762 0 40 GJAB CCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cccc(OCC)c21 101061501 DWHZTSRYYCVRTH-ZPHPHTNESA-N 380.922 4.968 0 40 GJAB CO[C@@]12C=C[C@H](c3c(Cl)c(Cl)c(Cl)c(Cl)c31)C1(C2)OCCO1 103117098 BYJSNFYGRMNWPX-NXSYQRQQSA-N 382.070 4.942 0 40 GJAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)Cc1c(Cl)cccc1Cl 216313599 JVKZPMYIKUYQAS-UHFFFAOYSA-N 378.708 4.609 0 40 GJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc(C(F)(F)F)cc1 222582222 NHDDRTGNNQFDKU-UHFFFAOYSA-N 375.325 4.862 0 40 GJAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(Cl)c(C(F)(F)F)c1 222638506 ABNUKIWWLRMVME-UHFFFAOYSA-N 385.769 4.701 0 40 GJAB O=C(CCCSc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 222684416 RCXGOTPBUOMQMV-UHFFFAOYSA-N 388.964 4.557 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1cc(C)ccc1C(C)C 223350011 NPIHOULKYZFRQY-UHFFFAOYSA-N 399.516 4.657 0 40 GJAB Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1C 223471133 DYDRAQWJZMVFGB-IBGZPJMESA-N 382.523 4.840 0 40 GJAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 223882951 HMKGLYHLESIJBG-RBUKOAKNSA-N 394.569 4.695 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21 225073948 JJURAZIVXDJZDD-UHFFFAOYSA-N 388.492 4.854 0 40 GJAB Cc1cccc(CSCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 225287058 SWWFQNWSTQJVNY-UHFFFAOYSA-N 393.556 4.520 0 40 GJAB CCOc1ccc(CCCNC(=S)Nc2ccc(OC)c(Cl)c2)cc1 225622065 FXMXVTDEGMPOHH-UHFFFAOYSA-N 378.925 4.667 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225661168 VFHAQXXRKAQFBT-UHFFFAOYSA-N 382.504 4.909 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCCC2)cc1 226253116 AAZLBDAGJGSBOD-UHFFFAOYSA-N 381.520 4.574 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC2CC2)[C@H]1c1cccs1 257173182 FXHSLAOXBRJLMT-NHCUHLMSSA-N 396.556 4.601 0 40 GJAB CC[C@H](N[C@@H](c1nc(C(C)C)no1)C1CCOCC1)c1ccc(F)cc1F 509069247 PLRCLBCMNRFAJQ-ZWKOTPCHSA-N 379.451 4.680 0 40 GJAB Cc1ccc(C(=O)NCCc2c[nH]c3ncccc23)c(Sc2ccccc2)c1 544257656 QCPXBRTYVLNZDP-UHFFFAOYSA-N 387.508 4.995 0 40 GJAB COc1ccc(/C=C/C(=O)NCc2nc(C3CCCCC3)cs2)cc1OC 575607737 BVBPJWVNPYTFHJ-PKNBQFBNSA-N 386.517 4.538 0 40 GJAB CC(C)CNC(=O)c1cc(NC(=O)c2ccccc2OC2CC2)ccc1Cl 585083737 DLOPDNKEGBYHSJ-UHFFFAOYSA-N 386.879 4.519 0 40 GJAB O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(Cl)c(C(F)(F)F)c1 1525496523 BGVUIIYPOKQPRG-UHFFFAOYSA-N 393.796 4.517 0 40 GJAB Cc1ccc2cc([C@@H]3NC(=O)c4c(sc5c4CCCC5)N3)c(Cl)nc2c1 649992 TUUBVNTVUHTJKS-GOSISDBHSA-N 383.904 4.991 0 40 GJAB Cc1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1Br 850444 DEYVHXUHZKVQPQ-UHFFFAOYSA-N 388.183 4.794 0 40 GJAB CCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)cc1 2053755 QPHPRPHYFSTPJW-UHFFFAOYSA-N 385.514 4.520 0 40 GJAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)sc1C 2258000 VWQUGTUGRHFASZ-GOSISDBHSA-N 388.448 4.616 0 40 GJAB CCCCn1c(N)c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc21 2260223 KPLWGGRCWDFKMK-UHFFFAOYSA-N 393.878 4.873 0 40 GJAB CC(C)Cc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2 2274633 CJRNGMODHURCRZ-UHFFFAOYSA-N 378.472 4.691 0 40 GJAB Cc1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl 2713237 JFYXOVGYSFZKLT-UHFFFAOYSA-N 394.784 4.809 0 40 GJAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccccc1-c1ccccc1 3329864 KAPQQNBKAUCLFJ-UHFFFAOYSA-N 393.464 4.560 0 40 GJAB O=C(COC(=O)CCc1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl 3348649 UZYLMXFYSCGJKL-UHFFFAOYSA-N 386.662 4.761 0 40 GJAB CCN(C(=O)CSc1nnc(Nc2ccccc2C)s1)c1ccccc1 3465634 PSUBMKXEJAXCLV-UHFFFAOYSA-N 384.530 4.735 0 40 GJAB O=C(Nc1nnc(SCc2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 4086668 FVTPNZNYNNRYJF-UHFFFAOYSA-N 385.558 4.985 0 40 GJAB CCCCNC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCC1 4132931 XDQHIDZSIMZPDQ-UHFFFAOYSA-N 385.577 4.564 0 40 GJAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Cl)s1 4194487 ZKQBKLBZTOSBJV-UHFFFAOYSA-N 388.857 4.884 0 40 GJAB O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCC1 4657267 HTLMKYDBZPKCQH-UHFFFAOYSA-N 399.438 4.687 0 40 GJAB CCc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 4699215 AJBYZIWEUGPLIO-QZTJIDSGSA-N 383.293 4.749 0 40 GJAB O=C(COc1ccccc1-c1ccccc1)Nc1ccnn1Cc1ccccc1 5256414 XGVSENJIFIVCOD-UHFFFAOYSA-N 383.451 4.616 0 40 GJAB CCOc1ccccc1[C@@H]1SCC(O)=Nc2c1c(O)nn2C(CC)CC 5500867 KBNCACLVDAJWBN-KRWDZBQOSA-N 375.494 4.773 0 40 GJAB CCC[C@@H](CC(=O)O)c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 5567795 JZWLSXINEVHWEP-XQQFMLRXSA-N 388.460 4.535 0 40 GJAB biogenic,in-vitro CC(C)c1ccc(Nc2nnc(SCC(=O)NC3CCCCC3)s2)cc1 6650359 QNALJPIWBJFUQS-UHFFFAOYSA-N 390.578 4.946 0 40 GJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)CCc1ccccc1 6849631 JNKGACXEIDEDAG-ZODMCCGTSA-N 393.527 4.523 0 40 GJAB biogenic COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cnn(-c3ccccc3)c2)cc1 7087952 WCSDOEVPVVVRDL-HSZRJFAPSA-N 396.450 4.652 0 40 GJAB COc1cc(CNCc2ccccn2)ccc1OCc1c(F)cccc1Cl 7275008 BUXLMSJNRMXBSY-UHFFFAOYSA-N 386.854 4.752 0 40 GJAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccc3c(c2)OCO3)cc1 7640431 DXMOOAHTYSPOMW-HSZRJFAPSA-N 388.467 4.536 0 40 GJAB C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1 8055908 FIPLJZSMNHGXBS-GFCCVEGCSA-N 390.270 4.853 0 40 GJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C[C@@H]1OC(=O)c2ccccc21 8342320 REMARJOYAVZWFW-FQEVSTJZSA-N 395.842 4.860 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N2CCc3ccccc32)c2c(C)c(C)sc2n1 8394838 YFIOFLYDQDZMJZ-ZDUSSCGKSA-N 383.542 4.686 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC 8477812 JGJCLYIKFOGJEC-HNNXBMFYSA-N 384.259 4.807 0 40 GJAB Cc1cc(C(=O)COc2cccc3c2CCC[C@H]3O)c(C)n1Cc1cccs1 8751119 ZEUHXJYICDXWSK-OAQYLSRUSA-N 395.524 4.846 0 40 GJAB CN(Cc1ccccc1N1CCCC1)C(=O)/C=C/c1nc2ccccc2s1 9368437 UPEPOBMOQRAIOP-OUKQBFOZSA-N 377.513 4.568 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c2c(C)c(C)sc2n1 9788723 HYWJVJIKKZHORS-GXTWGEPZSA-N 385.558 4.975 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1C 10442130 XCQYFUYILZBLIZ-ZDUSSCGKSA-N 377.893 4.944 0 40 GJAB Cc1cnc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)s1 10624196 JRPLPFDDUDROAD-UHFFFAOYSA-N 394.319 4.519 0 40 GJAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1 12416179 OORVBJAUAPTISU-CQSZACIVSA-N 387.361 4.584 0 40 GJAB O=c1[nH]ncc(NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1Cl 12904845 NCUKODJOULJGCO-CQSZACIVSA-N 399.281 4.802 0 40 GJAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nc3cc(Cl)ccc3o2)cc1 12952660 YRRYGXJTMJFKDJ-NSHDSACASA-N 388.876 4.653 0 40 GJAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@@H](C)c1ccccc1 12979744 MMGWRSPWNQGFFO-OAHLLOKOSA-N 397.906 4.509 0 40 GJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Br)c(C)c1 14396851 OTKQOTYHPRQIJA-QGZVFWFLSA-N 378.266 4.562 0 40 GJAB CCN(CC)c1ccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 15018128 AJUSGQAGTUCVKV-SFHVURJKSA-N 387.321 4.598 0 40 GJAB CN1C(=O)c2ccccc2N[C@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 15249749 TXMWMHLBRJMPLQ-HXUWFJFHSA-N 391.858 4.789 0 40 GJAB Cc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3cccc(C)c3C)cs2)cc1 15832550 DFHVZGSQLGCBIT-QGZVFWFLSA-N 380.513 4.819 0 40 GJAB Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2ccccc2c(=O)n1C 16840549 QEZUVNIHRJTTTR-UHFFFAOYSA-N 397.887 4.843 0 40 GJAB COc1cccc(CNCc2c(C)nn(-c3cccc(Cl)c3)c2Cl)c1 17311918 HOCLOJKCVLJMSX-UHFFFAOYSA-N 376.287 4.786 0 40 GJAB COc1cccc([C@@H]2CN(C(=O)C(C)(C)C)[C@H]3CCN(C4CCCCC4)C[C@H]32)c1 19081672 WDKGHBRFMTVZLN-VABKMULXSA-N 398.591 4.690 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 19933004 CYEREWKVXCXLMG-WEVVVXLNSA-N 386.282 4.817 0 40 GJAB CCCCCCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 19938378 OOBXVNCWNUBXOH-UHFFFAOYSA-N 380.532 4.604 0 40 GJAB CCCCNC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 21329787 QRYPEHMTCZOOSI-UHFFFAOYSA-N 376.566 4.538 0 40 GJAB COc1ccccc1-n1c(C)c(C)c2c1ncn1nc(-c3ccccc3C)nc21 21801217 DYBKAYDUISDCLW-UHFFFAOYSA-N 383.455 4.669 0 40 GJAB COc1cccc(-c2nc(C(=O)N[C@H](c3ccccc3)C3CC3)cs2)c1OC 24865314 IHMRHMIOOMWSDQ-LJQANCHMSA-N 394.496 4.708 0 40 GJAB CCc1nc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2nc1CC 29256868 JUNCPWJNYKNPSQ-UHFFFAOYSA-N 389.484 4.525 0 40 GJAB CC(=O)Nc1ccc(SC[C@@H](O)COc2ccc(C(C)(C)C)cc2C)cc1 32751023 WFNHOYGMOXSXHU-IBGZPJMESA-N 387.545 4.783 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)C3CCN(C(=O)C(C)C)CC3)ccc21 32909178 DUKVUSBXPHYMPQ-UHFFFAOYSA-N 391.515 4.648 0 40 GJAB CCOc1ccc(-c2csc(Cc3nc(-c4cccc(F)c4)no3)n2)cc1 33298156 VVCRHKGVDPLOGA-UHFFFAOYSA-N 381.432 4.989 0 40 GJAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCCC[C@H]3C)c12 36616946 OOZDIPXCWVYWLP-MRXNPFEDSA-N 388.515 4.680 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1cccc(Cl)c1 44883738 HTDYSQJKSIKWRV-SFHVURJKSA-N 377.937 4.855 0 40 GJAB Cc1sc(NC(=O)c2ccc([S@@](C)=O)cc2)nc1-c1ccc(Cl)cc1 47983122 CURIWIZHVOYQTJ-VWLOTQADSA-N 390.917 4.762 0 40 GJAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(OCc2ccccn2)c1 49549124 WMBJAGOWRQUUGN-SFHVURJKSA-N 376.460 4.736 0 40 GJAB CN(Cc1ccc(F)c2cccnc12)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 58356863 CFYURJGRNNQFBF-ICSRJNTNSA-N 391.273 4.771 0 40 GJAB COc1ccc(/C=C2/CCCC3=C2NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 61912090 LWRQTWWJJNMEKW-JIHAQRTOSA-N 392.524 4.744 0 40 GJAB CCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)/C(=C/c3cnn(C)c3)C[C@H]12 71782824 BXJRUGUVBIWBJI-WARSLFCQSA-N 392.543 4.729 0 40 GJAB CC(C)N(C(=O)c1ccc(Oc2ccc(F)cc2Br)nc1)C1CC1 71800092 QWMAZRRPZDFVNH-UHFFFAOYSA-N 393.256 4.789 0 40 GJAB c1ccc(-c2cc(CNC(c3ccccc3)c3ccccc3)c3nnnn3c2)cc1 72392314 PQDFSUCAAQPJQR-UHFFFAOYSA-N 391.478 4.671 0 40 GJAB COc1cccc(-c2c(NCCCN(C)C)oc3c2c(=O)oc2ccccc23)c1 95116750 MCCXLDHLUDQDQP-UHFFFAOYSA-N 392.455 4.578 0 40 GJAB C[C@H](CNC1CCN(C(=O)c2ccoc2)CC1)Cc1ccc(C(C)(C)C)cc1 95443049 XZMOEGKXIXVLFD-SFHVURJKSA-N 382.548 4.650 0 40 GJAB Cc1ccccc1NC(=O)N1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1C)C2 100426140 IQQLQBBPZAWMGH-WOJBJXKFSA-N 391.515 4.651 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 218932744 CKJGCWUWJUHWDS-UHFFFAOYSA-N 383.532 4.899 0 40 GJAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc2ccccc2c1 222783449 JYPYWMKVTUUGFV-UHFFFAOYSA-N 380.296 4.766 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1Cl 222854024 MEVHYUZDOGCTEM-LBPRGKRZSA-N 396.270 4.885 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccccc2)no1 222940345 WGTXYOPSCRCJKQ-IBGZPJMESA-N 393.487 4.508 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1 223938492 JIZHTDQAXGWNBT-ZDUSSCGKSA-N 385.335 4.569 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225035865 OPYPPABDJRBZMM-QGZVFWFLSA-N 394.515 4.501 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl 225372376 QAYQSWYRFRYUOD-UHFFFAOYSA-N 379.287 4.705 0 40 GJAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=S)Nc1ccc(Cl)cc1 225466589 YTUTYNMNTGTMGY-UHFFFAOYSA-N 393.299 4.872 0 40 GJAB O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(F)c1 408619054 FSXHIJJONTZPIA-UHFFFAOYSA-N 376.762 4.625 0 40 GJAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2OC(F)F)cc1 408626400 GZMXAEWAXGDAJY-FMIVXFBMSA-N 390.455 4.938 0 40 GJAB COc1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 408628671 ZUHPTBRFPSYMFU-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB COc1ccc(-c2nnc(NC(=O)Cc3cccc4ccccc34)s2)cc1 408710462 JYDWMGRUIYACAE-UHFFFAOYSA-N 375.453 4.548 0 40 GJAB CC(F)(F)[C@]1(O)CC(c2ccc(Cl)cc2)=NN1C(=O)c1cccc(Cl)c1 409004925 YKKGMYXYDZHOCU-GOSISDBHSA-N 399.224 4.587 0 40 GJAB O=C(Nc1c[nH]nc1-c1ccccc1F)c1cccc(OCc2cscn2)c1 513792722 LGBOKRNQRBMMOL-UHFFFAOYSA-N 394.431 4.504 0 40 GJAB O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 1565520030 LRZYCZWFSHHFHS-UXHICEINSA-N 390.512 4.769 0 40 GJAB O=C(Nc1nc(Cl)ccc1O)c1cc(-c2ccccc2)nc2ccccc12 1648722419 CVFWVTMJMQOPNB-UHFFFAOYSA-N 375.815 4.908 0 40 GJAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccc(OC)c1 676365 IKUWHIANCIHOTM-UHFFFAOYSA-N 399.443 4.992 0 40 GJAB O=C(CCC1CCCCC1)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 692640 CEGFCIPDFHJQGR-UHFFFAOYSA-N 376.456 4.786 0 40 GJAB C[C@H]1CCCN(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)C1 933090 IDSYHMHLWNEKFC-AWEZNQCLSA-N 383.542 4.709 0 40 GJAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)OC1CCCCC1 1368492 YDLBODJPJDOVHM-UHFFFAOYSA-N 397.500 4.554 0 40 GJAB CCCCCCc1cc2cc(-c3nc4ccccc4c(=O)[nH]3)c(=N)oc2cc1O 2082147 MCEDPGDGQVXBCU-UHFFFAOYSA-N 389.455 4.644 0 40 GJAB COc1ccc(CN(CC[C@H](c2ccccc2)c2ccco2)C(C)=O)cc1OC 2299618 GLQDRVWZYOCVJS-OAQYLSRUSA-N 393.483 4.868 0 40 GJAB Cc1cc(C)cc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)c1 2403176 XFKHEJRSGQTIQH-UHFFFAOYSA-N 375.468 4.954 0 40 GJAB COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C2=NCCS2)c1CC(C)C 2570864 YIJZJEYQBAAWRJ-UHFFFAOYSA-N 396.381 4.517 0 40 GJAB biogenic,in-man COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C)C 2889604 LZSFKDHPJQYJPN-UHFFFAOYSA-N 382.279 4.559 0 40 GJAB Cc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)n3ncnc3N2)cc1C 2919639 QRBZPWVQTKVAAV-ZWKOTPCHSA-N 383.293 4.804 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(C)s1)CC2 3225645 UXECZSMLICNMAR-FQEVSTJZSA-N 399.537 4.923 0 40 GJAB O=C(OCc1ccc(COC(=O)c2cccc(F)c2)cc1)c1cccc(F)c1 3320788 ARHVWLSLFZZQFL-UHFFFAOYSA-N 382.362 4.679 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2cccs2)c2c[nH]c3ccccc23)cc1 3343167 UWQANCXHPSBETI-GOSISDBHSA-N 376.481 4.800 0 40 GJAB CCCCC[C@H](c1nncc(-c2ccccc2)n1)S(=O)(=O)c1ccccc1 3851400 SGNNCWZWPGLNEH-HXUWFJFHSA-N 381.501 4.634 0 40 GJAB biogenic CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)cc1 4176035 AWNXLBYYESGZOK-UHFFFAOYSA-N 393.512 4.887 0 40 GJAB Cc1c(Cl)cccc1NC(=S)N1CCc2cc3c(cc2C1)OCCCO3 5345691 ICUNHJSTGRJDGM-UHFFFAOYSA-N 388.920 4.565 0 40 GJAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Nc1cccc(C(F)(F)F)c1 6053354 AUTUDPBMJAOGQU-MJGOQNOKSA-N 389.421 4.854 0 40 GJAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1cccc(Cl)c1 6392103 ONWWBKCACAPUBJ-UHFFFAOYSA-N 394.327 4.720 0 40 GJAB CSCC[C@H](NC(=O)Cc1cccc2ccccc12)c1nc2ccccc2[nH]1 6506197 OBXHSEDDPNOUBY-NRFANRHFSA-N 389.524 4.869 0 40 GJAB CCCNCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 7262312 USIFXOHWANFOJV-UHFFFAOYSA-N 382.273 4.675 0 40 GJAB CCC[C@@H](C)NC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 7654233 BQPGCNVEEVMFQH-CYBMUJFWSA-N 378.567 4.802 0 40 GJAB O=C(c1cncn1-c1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 7987568 VHSXHIFTZGPESM-INIZCTEOSA-N 388.496 4.502 0 40 GJAB COc1ccc(CCNCc2ccccc2OCc2ccc(F)cc2)cc1OC 8493667 CGFMBOZBOPNIQS-UHFFFAOYSA-N 395.474 4.754 0 40 GJAB COc1cccc(CNCCc2ccc(F)cc2)c1OCc1ccc(F)cc1 8495379 UYUSFWGDSAYZRM-UHFFFAOYSA-N 383.438 4.885 0 40 GJAB COc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2cccc(C)c2)cc1 9210329 LHDOAAJULLQOBW-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(N3CCCC3=O)cc2)cc1 9549812 PGLZMMHRBDCXDM-QFIPXVFZSA-N 392.499 4.580 0 40 GJAB COc1ccc(SCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 10219175 XSSYAQPXHQRNRS-UHFFFAOYSA-N 398.509 4.752 0 40 GJAB COc1ccc(CC(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 10749252 RUSYQLRBRDITBY-UHFFFAOYSA-N 394.452 4.755 0 40 GJAB CCCn1c(SCC(=O)N[C@@H](C)c2ccco2)nc2cc(Cl)ccc21 11235546 JVALVIMYQNWNSY-LBPRGKRZSA-N 377.897 4.662 0 40 GJAB CCCOc1ccccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12754007 PEWCQZHDWPSSBA-UHFFFAOYSA-N 377.400 4.832 0 40 GJAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3ccc(Cl)cc3Cl)ccc(F)c21 12859791 VDIQWCLZCFKNQS-VIFPVBQESA-N 382.218 4.840 0 40 GJAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(-c2ccccc2)cc1 12868082 HFOZYPLIYQQRTK-UHFFFAOYSA-N 394.421 4.733 0 40 GJAB COc1ccc(CN(Cc2ccncc2)C[C@@H](C)c2ccccc2)cc1OC 13989939 NSLVFAPXVHMTQG-LJQANCHMSA-N 376.500 4.905 0 40 GJAB Cc1c(C(=O)Nc2nc3c(s2)CN(C)CC3)oc2c1ccc1ccccc12 14185301 RSYAQXPIDJOIIJ-UHFFFAOYSA-N 377.469 4.591 0 40 GJAB CCOc1ccc([C@H](C)N(C)Cc2c(C3CCNCC3)[nH]c3ncccc23)cc1 19532653 WMLSQSZRMQXXII-KRWDZBQOSA-N 392.547 4.622 0 40 GJAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN2Cc2ccnn2C)n1 19691988 FEIJUCICJGXNKR-JOCHJYFZSA-N 380.923 4.705 0 40 GJAB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1 20197097 KAKNLHQVQQBWPE-UHFFFAOYSA-N 387.892 4.607 0 40 GJAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 20460228 IKTFYLMGIXNGJK-LJQANCHMSA-N 381.925 4.555 0 40 GJAB C[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)[C@H](O)c1ccccc1 22076619 VYQBNRUFRDRUFK-XOBRGWDASA-N 386.289 4.921 0 40 GJAB COc1cc(CN(C(=O)c2ccc(C)c(C)c2)C2CC2)ccc1OC(F)F 22877212 JJOSWNFYJUYCEZ-UHFFFAOYSA-N 375.415 4.718 0 40 GJAB CN(C)[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)c1ccsc1 25330213 WSKBMISIRWJDOA-ZDUSSCGKSA-N 382.913 4.788 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cccc(C)c3C)cs2)cc1 27990418 WCCNUGPQCCYWRF-SFHVURJKSA-N 394.540 4.862 0 40 GJAB COc1ccc2cc([C@H](C)C(=O)Nc3cccc(NC(C)=O)c3C)ccc2c1 32753719 GGZOJYMJFXBJMU-AWEZNQCLSA-N 376.456 4.857 0 40 GJAB O=C(NC1CC1)c1ccc(CN(C(=O)Nc2cccc3ccccc23)C2CC2)cc1 32779473 DVETZVYBYHHOKU-UHFFFAOYSA-N 399.494 4.929 0 40 GJAB COC(=O)c1cccc(NC(=O)CCc2ccc(-c3ccc(C)c(C)c3)o2)c1 33027743 PSZMDYZSXJNSPD-UHFFFAOYSA-N 377.440 4.921 0 40 GJAB Cc1ccc(NC(=O)N2[C@H]3CCC[C@@H]2CC(NC(=O)c2cccc(C)c2)C3)cc1 35311116 WEVNUMKQHKRXEM-FRIKZZABSA-N 391.515 4.651 0 40 GJAB Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)o3)c2)c1 39772572 JBHFPPUZXMGDSR-UHFFFAOYSA-N 398.422 4.550 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 44838083 WDOLEGPNJWSGMY-UHFFFAOYSA-N 385.423 4.659 0 40 GJAB CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1C 44856653 JZENEUNVXLQDIP-REWPJTCUSA-N 382.523 4.922 0 40 GJAB O=C(CN1CCC(c2nnc(-c3ccco3)s2)CC1)c1ccc(Cl)cc1 49363167 LJNDIQIXADUMTA-UHFFFAOYSA-N 387.892 4.514 0 40 GJAB Cc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)ccc1F 67296158 HPDPQNSGOYTARM-NMWGTECJSA-N 379.416 4.822 0 40 GJAB O=C(NCC(F)(F)F)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 71793338 APDGCHPFJPCUBP-QBFSEMIESA-N 386.373 4.997 0 40 GJAB CN(Cc1ccccc1NS(=O)(=O)CC1CCCCC1)C1CCCCC1 72286559 MVTKIVIEJBJFBR-UHFFFAOYSA-N 378.582 4.773 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349824 SHWXUCWJSLSFFG-INIZCTEOSA-N 381.476 4.672 0 40 GJAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)CCC3CCCC3)n2)n1 72375243 DKNMTDUCJCLGNL-FQEVSTJZSA-N 393.535 4.866 0 40 GJAB Cc1cc(C)c(C)c(Cn2c([C@@H](C)N3CCOCC3)nc3ccccc32)c1C 82086967 ROTPGRGKYYUNCQ-HXUWFJFHSA-N 377.532 4.711 0 40 GJAB Cc1cc(C(=O)CN2CCC(c3ccccc3)CC2)c(C)n1CC(F)(F)F 84079582 WJPIOOOZUHIPOR-UHFFFAOYSA-N 378.438 4.730 0 40 GJAB Cc1cccc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)n1 95348771 HYFGDTPRKYBWTK-UHFFFAOYSA-N 378.819 4.741 0 40 GJAB Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccccc3C(C)C)n2)c1 219300567 SBRNQVWNLVUEID-KRWDZBQOSA-N 393.487 4.594 0 40 GJAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCS[C@@H](c2cccs2)CC1 219464625 GHXAIZBXBLDWEL-GOSISDBHSA-N 387.505 4.598 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(OC)c1OC 223403068 RSGLSFUREQXIOU-KAMXEHQASA-N 383.488 4.528 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1 223975612 NDSSTYIWICEJOF-CYBMUJFWSA-N 385.335 4.569 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1OCC 225311122 LZYWNPOMLLNOOI-HNNXBMFYSA-N 375.896 4.947 0 40 GJAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OC 225677512 RJTDSTCTUGAWFI-MRXNPFEDSA-N 386.517 4.601 0 40 GJAB CC(C)CC(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 408624657 VMQDMLPIFDICKO-UHFFFAOYSA-N 395.484 4.544 0 40 GJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3c(C)cccc3C)sc2n1 408626190 ZZSQHANCCWJBAQ-UHFFFAOYSA-N 398.557 4.883 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(C)c2)cc1 408696379 AQCHMLAYKMREPR-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)CC(c1ccccc1)c1ccccc1 408714704 VPMXBQZUMZIFBG-UHFFFAOYSA-N 397.478 4.917 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1nnc(COc2c(C)cccc2C)o1 409156289 NKUDFUQSRJITMT-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB CCCN(C(=O)c1cncc2ccccc12)[C@@H]1CCCN(Cc2ccccc2)C1 505023311 LFEMEOXTPZWKFF-JOCHJYFZSA-N 387.527 4.752 0 40 GJAB COCCCCCC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1 2061000660 GYHILWIXHPMZEY-UHFFFAOYSA-N 396.439 4.581 0 40 GJAB Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCCCCC3)c2c1C 1340412 OUPUCFGODNYJJS-UHFFFAOYSA-N 377.579 4.926 0 40 GJAB Cc1ccccc1C(=O)Nc1nc(C)c(C(=O)Nc2ccccc2Cl)s1 1379008 UIKKATHXEWWFJK-UHFFFAOYSA-N 385.876 4.918 0 40 GJAB CC(C)(C)OC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 1447911 RETNCDAROAPTAK-UHFFFAOYSA-N 386.831 4.834 0 40 GJAB biogenic O=[P@@]1(N2CCOCC2)OC(c2ccccc2)=CCN1c1ccc(Cl)cc1 1577785 FPOHWCMZZZQMLW-SANMLTNESA-N 390.807 4.658 0 40 GJAB Cc1cc(Br)ccc1N1COc2ccc3c(C)cc(=O)oc3c2C1 2122289 AOPIPDKYPPJZLI-UHFFFAOYSA-N 386.245 4.529 0 40 GJAB biogenic Cc1oc2cc3oc(=O)c(CCC(=O)NCc4ccccc4)c(C)c3cc2c1C 2151745 NVJLQIZHHUERLW-UHFFFAOYSA-N 389.451 4.713 0 40 GJAB biogenic O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc(Cl)cc1 3221352 SZKITZOFHBMERM-UHFFFAOYSA-N 375.906 4.779 0 40 GJAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cc1ccccc1 3448147 AMFSMQKIUYGSEW-UHFFFAOYSA-N 392.886 4.689 0 40 GJAB COc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2ccc(C)cc2)cc1 4059429 YSAOCEKAYBAPBU-OAQYLSRUSA-N 377.513 4.607 0 40 GJAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1ccc2c(c1)OCO2 4849472 NRPBKRGCEWCGPH-UHFFFAOYSA-N 394.496 4.874 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)s2)c1 6057820 RCZPHRTUNIVCGP-UHFFFAOYSA-N 392.456 4.599 0 40 GJAB COc1ccccc1OCCCn1cc(C=O)c2cc(Br)ccc21 6298647 WFDKWZQBCDLQRD-UHFFFAOYSA-N 388.261 4.694 0 40 GJAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CCC)C1=O 6323915 WSZOXIKHDVZTNQ-GXDHUFHOSA-N 384.295 4.684 0 40 GJAB CC(C)n1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 6348013 ZVKCPTVRXBUTGA-WOJGMQOQSA-N 379.847 4.973 0 40 GJAB COc1ccc2oc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c(C)c2c1 6552802 HOTBLLFFAMUHCL-UHFFFAOYSA-N 392.455 4.628 0 40 GJAB O=C(Cc1ccccc1F)Oc1ccc(NC(=O)c2ccccc2Cl)cc1 7799060 SPSZBWMQUAXZHB-UHFFFAOYSA-N 383.806 4.880 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1C 8264658 VWSOLXAJVHJVRU-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccccc1Sc1ccccc1 8325450 KDAYZZMAQSAHHK-OAQYLSRUSA-N 391.540 4.952 0 40 GJAB CCSc1nc(NCc2cccnc2)c2c3c(sc2n1)COC(C)(C)C3 8659745 ORRLYDHRKQPOBF-UHFFFAOYSA-N 386.546 4.662 0 40 GJAB Cc1ccc(NC(=O)Nc2nnc(COc3ccc(C)c(C)c3)s2)cc1C 8856623 DIASDKFRNWDDPI-UHFFFAOYSA-N 382.489 4.995 0 40 GJAB Cc1ccc(C)c(N2CCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)c1 9877008 CFTFVDZTJMILGA-UHFFFAOYSA-N 377.916 4.615 0 40 GJAB COc1ccc(-c2cn3c(C)c(C(=O)N(C)c4ccccc4)sc3n2)cc1 10069276 ZUTGDAOCPQYUAE-UHFFFAOYSA-N 377.469 4.656 0 40 GJAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 11216472 UOQKWJQTFXBWEO-MRXNPFEDSA-N 393.439 4.902 0 40 GJAB CCCCn1c(S[C@@H]2CCCCNC2=O)nc2cc(C(F)(F)F)ccc21 11419164 TUZKKINZEQSUOM-OAHLLOKOSA-N 385.455 4.616 0 40 GJAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 12157627 VJEWBXQKKFUZPD-WMLDXEAASA-N 398.359 4.539 0 40 GJAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4ccc(Cl)nc4)C3)cc2c1C 12188494 MUFNBQSMLIFLJP-KRWDZBQOSA-N 395.890 4.620 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1Cn1ccnc1 12535540 FRKDQEJVCNBCMX-UHFFFAOYSA-N 395.506 4.770 0 40 GJAB Cn1ccnc1[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 12559606 CLBCQMFIVNQGSS-MRXNPFEDSA-N 393.249 4.777 0 40 GJAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 12887733 FXSSFCNOJUMAAM-UHFFFAOYSA-N 382.847 4.619 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12924632 WTLFRXATICPRCR-JXMROGBWSA-N 382.891 4.539 0 40 GJAB Cc1cccc(C)c1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12982816 NKXJUDZYEZNPCI-QHCPKHFHSA-N 376.525 4.951 0 40 GJAB CC(C)n1ncc2c(C(=O)N(C)Cc3cccc(Cl)c3)cc(C3CC3)nc21 14249700 CMAQRHKLLKXYAJ-UHFFFAOYSA-N 382.895 4.815 0 40 GJAB Cc1ccccc1C(=O)NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2 17135857 RBEGEAACIIKULZ-UHFFFAOYSA-N 383.904 4.548 0 40 GJAB O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(C3CCCC3)CC[C@@H]21 19368986 CEJXOXVBEHGVDY-FKBYEOEOSA-N 380.557 4.621 0 40 GJAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(Cc3ncc[nH]3)CC2)n1 19691885 ABRRPBLSOGFVOZ-UHFFFAOYSA-N 380.923 4.737 0 40 GJAB O=C(CCc1nc(-c2ccco2)no1)Nc1cc(C(F)(F)F)ccc1Cl 20894298 YZGDBXQOUPQMMV-UHFFFAOYSA-N 385.729 4.573 0 40 GJAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1csc(-c2ccsc2)n1 21599071 VEVUCQVTAGMNPH-UHFFFAOYSA-N 393.873 4.653 0 40 GJAB COc1cc(CNCCc2ccccc2F)ccc1OCc1ccc(F)cc1 22074449 GTNHQCVAJFOFFF-UHFFFAOYSA-N 383.438 4.885 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ccc(F)cc2)c1C 24443617 CNKSSZUPQFIEBZ-UHFFFAOYSA-N 377.872 4.697 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2cccc(C(F)(F)F)c2)C2CC2)c1 26028690 GVGHHTKHJIXLNV-UHFFFAOYSA-N 379.378 4.527 0 40 GJAB COc1cccc(C(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)c1 32623187 KEXPMVIAJVTJSF-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(OC(C)C)c2)cc1 36360688 UYXXLBSDKAIEMQ-IBGZPJMESA-N 377.444 4.792 0 40 GJAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1cccc(Cl)c1Cl 36390762 JOIKHJSHUHFJFN-UHFFFAOYSA-N 387.266 4.897 0 40 GJAB CN(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 38308504 HXESJOMKFDHHCM-ZIAGYGMSSA-N 397.363 4.719 0 40 GJAB CCc1cccc2c(C3CCN(C(=O)C4C[C@@H]5CCC[C@H](C4)C5=O)CC3)c[nH]c12 40157600 BCTQQLFYWSNHKZ-YOFSQIOKSA-N 392.543 4.832 0 40 GJAB Cc1nn(CNC2(c3ccc(F)cc3)CCCC2)c(=S)n1Cc1ccccc1 48290249 KYHBLIAEKUINNB-UHFFFAOYSA-N 396.535 4.927 0 40 GJAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCC[C@H]1C1CCCCC1 70012843 LRBNESMACDHSPE-HNNXBMFYSA-N 390.833 4.861 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2NC2CCCCC2)cc1 72214028 NCZNHFICAFCKSI-NRFANRHFSA-N 399.560 4.660 0 40 GJAB COc1cccc([C@@H]2C[C@@H]2C(=O)N(CCc2ccccc2)c2nc(C)cs2)c1 72270312 NUICLNMFNXEAMK-SFTDATJTSA-N 392.524 4.840 0 40 GJAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 72356087 CFNLTIPEVLRVSI-NRFANRHFSA-N 389.474 4.535 0 40 GJAB CC[C@H](C)N(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)[C@@H](C)CC 95997613 ZIMFJLJVHHJFTQ-IRXDYDNUSA-N 391.515 4.733 0 40 GJAB CCC(=O)N(C)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 97010833 UFAFIWSTHUWZOX-UHFFFAOYSA-N 397.475 4.883 0 40 GJAB Cn1c(=O)c(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)c(O)c2ccccc21 100362375 QEEVPJYAMVRFMJ-JOCHJYFZSA-N 395.462 4.600 0 40 GJAB O=C1/C(=C/Nc2cccc(O)c2)c2ccccc2C(=O)N1c1cccc(Cl)c1 103004972 SOPRIIIRMBHTQS-DEDYPNTBSA-N 390.826 4.686 0 40 GJAB CC(C)c1ccccc1OCC(=O)NCCSCc1ccccc1Cl 222804976 AHEVWTJTKUNCLL-UHFFFAOYSA-N 377.937 4.892 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1cccc(OC)c1 223025756 DWEHHQKHHRNXKG-HXUWFJFHSA-N 375.896 4.563 0 40 GJAB CC[C@@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc(C)cc1C 223142167 WOSJNNQINDYSRB-JOCHJYFZSA-N 383.513 4.895 0 40 GJAB O=C(COc1ccc2c(c1)CCCC2)Nc1nnc(-c2ccc(Cl)cc2)s1 223720502 NNTQOHFQCKDFNM-UHFFFAOYSA-N 399.903 4.755 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)NC3CCCCCCC3)o2)c(OC)c1 224872976 AFCJPKZBOFTGPU-UHFFFAOYSA-N 386.492 4.521 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CC1 225009391 UKLXAHDULKAEIA-SFTDATJTSA-N 380.561 4.750 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(C)cc2)ccc1Cl 225469771 QXSDYMFQAXJDMZ-ZDUSSCGKSA-N 376.909 4.873 0 40 GJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225619562 JWNLVBXRLZPCCT-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225739158 PTYMKYLEYXOMHQ-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB OCc1ccccc1CN(Cc1ccccc1)Cc1cnn(Cc2ccccc2)c1 257325657 WTVIWWIPMRMAJM-UHFFFAOYSA-N 397.522 4.626 0 40 GJAB CC(C)C(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 408617483 ANRJPUYSHBGLNN-UHFFFAOYSA-N 397.500 4.793 0 40 GJAB Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccccc2)c1C 408695556 RHWGSMXMYRMYSS-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Oc2ccccc2)cc1C 408738420 SEXLXEPPPJRZMG-JOCHJYFZSA-N 388.467 4.642 0 40 GJAB Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 409028478 NPWGVFFDQFJZLO-UHFFFAOYSA-N 396.556 4.929 0 40 GJAB COCCN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 409129002 LOEORZWDYWZSOA-OQLLNIDSSA-N 398.267 4.936 0 40 GJAB CCCc1ccc([C@H](NC(=O)[C@@H](O)c2cccc(OC)c2)c2cccs2)cc1 1540009455 GCNFWJHYJYALHZ-VXKWHMMOSA-N 395.524 4.648 0 40 GJAB Cc1sc(NC(=O)c2ccc(Br)o2)c(C(=O)OC(C)C)c1C 668314 SFHFUCIUVDJLJW-UHFFFAOYSA-N 386.267 4.538 0 40 GJAB CCOc1ccc(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)cc1 824907 CTQJKPWXAGKQOV-CQSZACIVSA-N 393.723 4.685 0 40 GJAB O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccccc1 937530 YYADKMSEWGDPLY-IBGZPJMESA-N 397.478 4.636 0 40 GJAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCc2ccncc2)c(C(C)C)c1 1075756 DZEDREKSXCURMN-UHFFFAOYSA-N 388.577 4.973 0 40 GJAB CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)ccc3o2)c(O)c1 2052138 HUNGNFXPRSBYBZ-UHFFFAOYSA-N 397.500 4.902 0 40 GJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(C5=CC(=O)OC5)=CC=C4[C@@H]3CC[C@@H]2C1 2146180 SVPNYAGEEKDKCQ-TUIGDANBSA-N 396.527 4.900 0 40 GJAB C1=NC2=NC3=C([C@H](c4ccccc4)Oc4ccccc43)[C@H](c3cccs3)N2N1 2253393 JNFBXKJPXGUGLE-SFTDATJTSA-N 384.464 4.552 0 40 GJAB COc1ccccc1OCc1ccc(-c2nc3c4ccccc4ncn3n2)cc1 2806503 LFXSGRRSLKBLOO-UHFFFAOYSA-N 382.423 4.532 0 40 GJAB Cc1ccc([C@]2(C(F)(F)F)N=C3Sc4cc(C)ccc4N3C(=O)N2)cc1 3198185 ZIKIEHYMGHUZPY-QGZVFWFLSA-N 377.391 4.710 0 40 GJAB CCN(CC)c1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4116576 KVYVWPNIQOKEJS-UHFFFAOYSA-N 385.577 4.562 0 40 GJAB CC1=C(C(=O)O[C@H]2CCC[C@@H]2C)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C 4133539 ICEKADLMYDOOAN-GLZQIGESSA-N 397.302 4.695 0 40 GJAB CN(C)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(F)cccc2s1 4359289 OYZWOYXUPCEHMD-UHFFFAOYSA-N 397.519 4.523 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)COc3ccc(Cl)cc3)cs2)cc1 4570777 YJKXZDPYKCBMKI-UHFFFAOYSA-N 386.904 4.510 0 40 GJAB COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCCCC2)c1 4715931 YHNXHSJNSRICNX-FQEVSTJZSA-N 378.472 4.908 0 40 GJAB CCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(C)cc1 4816669 CFBOJDMGDJBKLH-MOPGFXCFSA-N 380.879 4.717 0 40 GJAB O=C(O[C@H](C(=O)NCCc1ccccc1)c1ccc(Cl)cc1)c1cccs1 4901636 CZLWPJXPPOEGNG-IBGZPJMESA-N 399.899 4.659 0 40 GJAB Fc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)cc1 5051196 LUMLBDCYGONFIW-UHFFFAOYSA-N 398.397 4.563 0 40 GJAB COCCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 5151666 ILZOBXHYUPGHGR-UHFFFAOYSA-N 388.562 4.632 0 40 GJAB O=C(CSc1ccc2ccccc2c1)NC1CCN(Cc2ccccc2)CC1 5938765 JASSQMHAKMTZNR-UHFFFAOYSA-N 390.552 4.713 0 40 GJAB COc1ccc(Cl)cc1-n1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 6511719 NEKVGXHUYFKMHP-SECBINFHSA-N 392.933 4.897 0 40 GJAB CCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 6628320 YPGVIXVXUBERBI-UHFFFAOYSA-N 384.439 4.585 0 40 GJAB CC(C)c1ccc(NC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1 7595959 QKCDDSWBTJZWAD-UHFFFAOYSA-N 397.478 4.826 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3c(C)c(C)ccc23)c(OC)c1 7740013 HUFZZYZGUFSFSS-NRFANRHFSA-N 393.483 4.764 0 40 GJAB COc1ccc(CCNC(=S)Nc2cccc(/C=C/c3ccccn3)c2)cc1 7785139 PODFIBFQPFRGJY-DHZHZOJOSA-N 389.524 4.790 0 40 GJAB CCc1ccccc1NC(=O)CNc1ncnc2sc3c(c12)CCCCC3 7974388 BZFMXZJTEXZKRV-UHFFFAOYSA-N 380.517 4.573 0 40 GJAB Cc1ccc(C(=O)OCCOc2cccc(Cl)c2)cc1NC(=O)c1ccco1 7981516 WGRCNCBMBVBUIX-UHFFFAOYSA-N 399.830 4.730 0 40 GJAB C[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 7989062 DEQIXPAAWHZOKL-LIRRHRJNSA-N 393.405 4.754 0 40 GJAB C[C@@H](OC(=O)CSc1ccc2ccccc2c1)C(=O)N(C)C1CCCCC1 8231089 AAPNHKWVEOLNLM-MRXNPFEDSA-N 385.529 4.655 0 40 GJAB Cc1nc(NCc2ccc(C(=O)N3CCCCC3)cc2)c2c(C)c(C)sc2n1 9577796 RPIHSBNUVWMZDF-UHFFFAOYSA-N 394.544 4.855 0 40 GJAB CCC(CC)c1nnc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)s1 10461717 ZOMGRROLAYDEOC-UHFFFAOYSA-N 394.500 4.946 0 40 GJAB CC(C)c1cc(C(=O)Nc2ccccc2F)nn1-c1nc2ccccc2s1 12223558 GXTUIWBGVDMNGR-UHFFFAOYSA-N 380.448 4.997 0 40 GJAB CCc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)N(CC)c2ccccc23)cc1 12413321 VCCGFGKMXIBQOK-RUZDIDTESA-N 397.478 4.541 0 40 GJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccccc1 12803998 QQTJXDAVYBELSQ-UHFFFAOYSA-N 396.494 4.881 0 40 GJAB CC(C)c1ccc([C@H](C)NC(=O)c2ccccc2SCC(=O)NC2CC2)cc1 12893092 IMVWFYALPZBJIB-INIZCTEOSA-N 396.556 4.672 0 40 GJAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1cccc(C)c1 13924864 UAYLGLRCQBRIAS-STZFKDTASA-N 399.446 4.927 0 40 GJAB COC(=O)c1c(NC(=O)CCc2ccccc2Cl)sc2c1CCCC2 14831604 WQEQHDMEUYWVJC-UHFFFAOYSA-N 377.893 4.638 0 40 GJAB O=C(NCCc1ccc(F)cc1)c1nc(Cl)c(Cl)c(Cl)c1Cl 15316759 LMEUAESMBGQQBP-UHFFFAOYSA-N 382.049 4.807 0 40 GJAB C[C@H]1CC(=O)c2c(OCC(=O)N(Cc3ccccc3)C(C)(C)C)ccc(F)c21 15396348 MJPFFMOZZGAWIJ-HNNXBMFYSA-N 383.463 4.722 0 40 GJAB Cc1ccc(-c2csc(N3N=C4CC[C@H](C)C[C@H]4[C@@]3(O)C(F)(F)F)n2)cc1 16957506 DTUQFRUTJMATAT-WPKBUWHJSA-N 395.450 4.982 0 40 GJAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)C4CCCC4)C3)noc2n1 19521941 CYJKWCMCGROUOF-CYBMUJFWSA-N 395.425 4.700 0 40 GJAB COc1ccc([C@H](NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)C2CC2)cc1 19659897 FJLXVSOEKMHDJF-OAQYLSRUSA-N 399.918 4.664 0 40 GJAB Cc1cc2cc(NC(=O)c3cccc(CN4CCCC4=O)c3)cc(Cl)c2o1 19717229 KWBMCKUHTCUUFS-UHFFFAOYSA-N 382.847 4.769 0 40 GJAB COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1-c1ccc(CO)o1 20143951 RIDOZKMWTYYAIN-UHFFFAOYSA-N 395.455 4.588 0 40 GJAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc2c(c1)Cc1ccccc1-2 23621084 MPNKCBFZZYZWBC-GOSISDBHSA-N 382.463 4.788 0 40 GJAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21 27822964 DFELWPQAJNOLPR-UHFFFAOYSA-N 392.908 4.804 0 40 GJAB CC(=O)N(c1nc(COc2ccc(F)cc2F)cs1)c1ccccc1F 31712792 DMHWOLJRJYRNEH-UHFFFAOYSA-N 378.375 4.824 0 40 GJAB COc1ccc(NC(=O)CSc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 32691698 XNUSFOGEVWRXPB-UHFFFAOYSA-N 382.272 4.609 0 40 GJAB CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cc1 32743044 IHURRCBXNGUUQO-UHFFFAOYSA-N 393.512 4.822 0 40 GJAB CCn1nc(C)c2c(C(=O)N3CCCC[C@@H]3C)cc(-c3ccc(C)cc3)nc21 36616016 QCKUJGBNLXGEPA-INIZCTEOSA-N 376.504 4.750 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Nc1ccccc1NC(=O)c1ccco1 38678860 SPXBSMVQQORCOH-UHFFFAOYSA-N 385.807 4.838 0 40 GJAB COc1ccc(-c2nc(CSc3ccc(Br)cc3)no2)cc1 40051171 VFEONLCOYIJCMY-UHFFFAOYSA-N 377.263 4.800 0 40 GJAB Cc1csc(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)n1 40140203 IVJNZICTJLCYSN-UHFFFAOYSA-N 393.262 4.638 0 40 GJAB Cc1c(C)n(Cc2ccccn2)c2nc3c(c(N)c12)C[C@H](c1ccccc1)CC3 40288442 LXMKKAMQESNKAG-LJQANCHMSA-N 382.511 4.951 0 40 GJAB COc1ccc(-c2cn3cc(Br)c(C)c(Br)c3n2)cc1 40383921 KOKWDLMNYOEMKG-UHFFFAOYSA-N 396.082 4.843 0 40 GJAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 47986366 VGKACDJPKSIUSN-AWEZNQCLSA-N 377.444 4.516 0 40 GJAB Cc1nc(COc2ccc(C(=O)Nc3ccc4ccccc4n3)cc2)cs1 48234681 LIWCYOLDUPJZRB-UHFFFAOYSA-N 375.453 4.831 0 40 GJAB Cc1csc(N2CCCN(Cc3nc4ccccc4c(C)c3Cl)CC2)n1 70015460 IGZHYSSOXBTIQR-UHFFFAOYSA-N 386.952 4.674 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N(Cc1ccccc1)C1CCCCC1 72275400 TYHXTNUUBMQGIU-QFIPXVFZSA-N 395.547 4.961 0 40 GJAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](c1ccsc1)SCC(O)=N2 79486364 BIRXJYTWOKVHNE-INIZCTEOSA-N 377.535 4.948 0 40 GJAB CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc2oc(C(C)C)nc2c1)c1ccccc1 89821033 YRNRLXXDYGGZNN-GOSISDBHSA-N 393.487 4.793 0 40 GJAB CCN(CC)c1ncc(CNCc2ccccc2COCc2ccccc2)s1 95361040 NCUBFPXIPJUHNP-UHFFFAOYSA-N 395.572 4.996 0 40 GJAB c1coc(CN[C@H]2CC3(CCN(Cc4nccs4)CC3)c3ccccc32)c1 96079060 PZDGVHBAGBEZJN-FQEVSTJZSA-N 379.529 4.505 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)s1 96100270 AKTWIBLGIBDTGQ-NRFANRHFSA-N 380.557 4.632 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccc(Cl)cc1 216434249 OIDVYDBPLBSQGJ-LJQANCHMSA-N 393.936 4.556 0 40 GJAB O=C(COc1ccc(F)cc1)NCCSCc1c(Cl)cccc1Cl 222780833 IEBAVZVXPWPSLW-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 222866317 SUOVGZBUBPUHCU-NHCUHLMSSA-N 376.529 4.563 0 40 GJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 225035337 RJRUBSPTRUTSPN-RTWAWAEBSA-N 394.559 4.568 0 40 GJAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1 225504999 GENAXZKCWHHPLG-QFIPXVFZSA-N 390.508 4.842 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Cl)cc1 225685637 BUNRUYSPPZYANP-MRXNPFEDSA-N 376.909 4.937 0 40 GJAB C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 253531395 CVNYHSDFZXHMMJ-SSLNPDIHSA-N 390.564 4.686 0 40 GJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1OC 409000264 YBSZUCDWAIOZQE-LGMIBIRUSA-N 379.456 4.699 0 40 GJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cc(C(=O)O)ccc1C 953683 KPSCQNHTHDLUMD-UHFFFAOYSA-N 394.427 4.560 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(C)c(C)c2)o1 1083486 GBCINTJBDABOFD-UHFFFAOYSA-N 379.412 4.514 0 40 GJAB COc1cccc(C(=O)CSc2nnc3c(C)cc4cc(C)c(C)cc4n23)c1 1223271 MTMIWBCTZLRRFB-UHFFFAOYSA-N 391.496 4.791 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1 2723682 LFZGPYLKRLYKQW-UHFFFAOYSA-N 387.892 4.655 0 40 GJAB Cc1cc(Br)ccc1NC(=O)COc1ccc(Br)cc1 2760433 NOZNHTWJPBWUAY-UHFFFAOYSA-N 399.082 4.538 0 40 GJAB COc1ccccc1OCc1cccc(-c2nc3c4ccccc4ncn3n2)c1 2806819 NGGDOMHCLOPSNS-UHFFFAOYSA-N 382.423 4.532 0 40 GJAB CC[C@H](C)NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3393411 HGIVZWWGBKETKC-AWEZNQCLSA-N 396.874 4.627 0 40 GJAB COc1ccc(Br)c(C(=O)Nc2nc3c(C)cccc3s2)c1 3558868 BVWNYBPIJRUINE-UHFFFAOYSA-N 377.263 4.628 0 40 GJAB O=C1CCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 3562511 HBZSKBNDHSLKAF-SFHVURJKSA-N 383.904 4.861 0 40 GJAB CCCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 3999989 XTDFZWAMNOPUHV-DACFSCGWSA-N 390.527 4.893 0 40 GJAB biogenic COc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1OC 4880907 NPTRTDXYELDVBP-UHFFFAOYSA-N 392.333 4.630 0 40 GJAB C[C@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 5039876 ZMSCAYGHVFLQPN-AWEZNQCLSA-N 399.830 4.696 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1ccc(Cl)cc1Cl 5099271 LFZQDAWYSGJSMK-UHFFFAOYSA-N 389.282 4.935 0 40 GJAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1Cl 5976730 FZUAGOCNVTVFQB-UHFFFAOYSA-N 381.815 4.928 0 40 GJAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCc2ccccc2C1 6861315 KCDBMDTWQQAQFT-UHFFFAOYSA-N 384.501 4.626 0 40 GJAB COc1cc(CN(C)C(=O)c2ccc(F)cc2)ccc1OCc1ccccc1 6994992 FJMZLRPAWQFCFL-UHFFFAOYSA-N 379.431 4.686 0 40 GJAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2c(C)cc(C)cc2Cl)cc1 7254513 RQCWVQAUNUXGCO-JXMROGBWSA-N 387.863 4.551 0 40 GJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)COc1ccccc1-c1ccccc1 7272696 JJGWXNWLZKSEFC-UHFFFAOYSA-N 389.451 4.510 0 40 GJAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 7928312 XWIPITXZSZMBPK-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccccc1Sc1ccccc1 8325448 KDAYZZMAQSAHHK-NRFANRHFSA-N 391.540 4.952 0 40 GJAB Cc1cc(C)cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c1 8335509 OKYCLLVOBRYRGM-HNNXBMFYSA-N 384.545 4.867 0 40 GJAB Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2cccc(C)c2C)c1 8476595 PGUZDAJIPGQFFB-UHFFFAOYSA-N 396.494 4.790 0 40 GJAB Fc1ccccc1Cc1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 8715033 HUFGZHMMTDTFCF-UHFFFAOYSA-N 379.247 4.890 0 40 GJAB CCCn1nc(NC(=O)c2ccccc2OCC)c2cc3ccc(C)cc3nc21 9328915 QWVLATGYHIBGPV-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCC(C)C)cc1 12419633 HUYZFTTVGKRJLM-UHFFFAOYSA-N 376.503 4.612 0 40 GJAB O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1cc(Cl)ccc1Cl 12767658 OHKVWTUMLFIQLC-UHFFFAOYSA-N 391.298 4.817 0 40 GJAB Cc1csc(SCc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)n1 12783879 NLTSQCUVHYSRGM-UHFFFAOYSA-N 383.473 4.582 0 40 GJAB C/C=C/c1cc(C(=O)N(C)CCOc2ccccc2Cl)cc(OC)c1OC 12991924 WRWUMZDAENPNTK-VMPITWQZSA-N 389.879 4.541 0 40 GJAB Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)N(CCc1c[nH]c3ccccc13)C2=O 13687958 WVKLVMMSORPJCA-OAQYLSRUSA-N 390.874 4.641 0 40 GJAB CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@H](c2ccc3c(c2)OCO3)S1 15084943 YQMVIJOFYICFTP-IBGZPJMESA-N 381.432 4.935 0 40 GJAB COc1ccc([C@H](CNC(=O)c2ccc(Cl)c(Cl)c2)N2CCCC2)cc1 18184310 UXSFBARSCLGEJG-IBGZPJMESA-N 393.314 4.569 0 40 GJAB O=C(COc1ccc2oc3c(c2c1)CCCC3)OCc1cc(-c2ccco2)on1 18960906 IBVNGAGGFHBHBH-UHFFFAOYSA-N 393.395 4.682 0 40 GJAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3ccccn3)on2)cc1 19558072 YEGFWZULSJLRRR-FQEVSTJZSA-N 377.444 4.503 0 40 GJAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)N2CCOCC2)c1C 20192384 AUAJXLSDIXCUHX-HXUWFJFHSA-N 396.512 4.632 0 40 GJAB CCC[C@@H](C)NC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 21734086 LGRZXRNPZKWMRO-CQSZACIVSA-N 399.874 4.797 0 40 GJAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccccc1N1CCCCC1 22931871 CZQGCEALMOMQSD-XMMPIXPASA-N 392.591 4.558 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 24707554 IKUVXBZWHXDYOJ-ZIAGYGMSSA-N 390.936 4.988 0 40 GJAB FC(F)(F)c1cccc(-c2noc(CCCN3CCc4ccccc4C3)n2)c1 24992480 BTMZUIBJNUVGJI-UHFFFAOYSA-N 387.405 4.746 0 40 GJAB C[C@H]1Cc2ccccc2N1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1 25499590 JMWZNDZGVDIRNP-LBPRGKRZSA-N 379.510 4.664 0 40 GJAB Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)c2c(C)nn(-c3ccccc3)c2n1 27985289 SXRLHOXDMYBASQ-INIZCTEOSA-N 382.467 4.629 0 40 GJAB COc1cccc(Cn2cc(NC(=O)c3ccc(-c4ccccc4)cc3)cn2)c1 28220762 GDNDHQNMECGHBC-UHFFFAOYSA-N 383.451 4.859 0 40 GJAB O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1cccnc1 28343675 MECXCGDWISKJCP-UHFFFAOYSA-N 393.899 4.786 0 40 GJAB O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1ccc(O)nn1 28718944 BTEUCJJTNUZXTO-UHFFFAOYSA-N 380.473 4.606 0 40 GJAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1Cl 32069824 PHVWCNNPEDWJNM-MRXNPFEDSA-N 380.835 4.683 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32578616 WAOAGHMOVXBJMM-UHFFFAOYSA-N 385.851 4.839 0 40 GJAB CC(C)c1cc(C(=O)OCC(=O)N[C@@H](C)c2cccs2)c(O)c(C(C)C)c1 32956592 MNFNYIZMSDBVHT-AWEZNQCLSA-N 389.517 4.735 0 40 GJAB Cc1ccc(NC(=O)COc2cccc(-c3nc(C(C)C)no3)c2)cc1Cl 33012549 SOJAODOOFXXNAZ-UHFFFAOYSA-N 385.851 4.839 0 40 GJAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NCc1ccccc1 36182120 NYHFWIPMBYPQPS-UHFFFAOYSA-N 385.492 4.731 0 40 GJAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1cnc2ccccc2c1 36391549 GNMVHVFCIQOOFP-UHFFFAOYSA-N 383.245 4.599 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38849801 DTRKHABRHYLTMY-HNNXBMFYSA-N 380.385 4.695 0 40 GJAB COc1ccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc23)cc1 49005380 SVSXQXZYAJGCQB-HNNXBMFYSA-N 390.487 4.563 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2cccs2)c1 57572435 VQNIRJWNGZRBGN-NRFANRHFSA-N 378.497 4.763 0 40 GJAB O=C(/C=C/c1ccccc1Cl)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635452 VMGLZCDIROLZRN-RUJXFNLJSA-N 395.808 4.972 0 40 GJAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 72348658 XUNPSOOSYCUOBL-IBGZPJMESA-N 390.458 4.916 0 40 GJAB O=C(Nc1ccccc1N1CCCCCC1)c1cn(-c2ccccc2Cl)nn1 84506857 KGFBGHXWZJQBJE-UHFFFAOYSA-N 395.894 4.553 0 40 GJAB Cc1csc(SCC2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)n1 90608122 SXURFBHYMALANW-UHFFFAOYSA-N 399.541 4.751 0 40 GJAB CC[C@H](c1ccc(F)cc1)N1CCC(c2c[nH]c3ccc(C(N)=O)cc23)CC1 95466734 HGMDWSZCHGWWOH-JOCHJYFZSA-N 379.479 4.737 0 40 GJAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)n1 100413285 WOWFPNRGXLWOHZ-SIIHOXLZSA-N 387.936 4.502 0 40 GJAB COc1ccc([C@@H]2c3sc(O)nc3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1OC 100623269 SNUBHAJWZFBQHA-MJXYYGLJSA-N 375.515 4.518 0 40 GJAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)S1 222624372 DEJLYBVMSFNIQA-KPOBHBOGSA-N 378.476 4.601 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)c(C)c1 222800001 BLWFVNTVBJKQTM-WOJBJXKFSA-N 396.947 4.827 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 222802102 BUWNGAQIGFYGPT-RBUKOAKNSA-N 383.904 4.987 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257318866 VPSHROCCBUETOO-INIZCTEOSA-N 387.892 4.661 0 40 GJAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c1 408627703 NDXVLGMOQGIUCK-UHFFFAOYSA-N 399.299 4.613 0 40 GJAB O=C(c1ccccc1Oc1ccncc1)N1CCc2[nH]c3ccc(F)cc3c2C1 513191317 JOUSKFPZBIEDGW-UHFFFAOYSA-N 387.414 4.693 0 40 GJAB C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1ccc(CN2CCCC2)cc1 615815270 GPEPWTQQWPFHRM-HNNXBMFYSA-N 396.922 4.645 0 40 GJAB CC(C)c1c(NC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]32)cnn1-c1ccccc1 666882383 CQHRCANJEYVIDC-SESVDKBCSA-N 390.462 4.595 0 40 GJAB O=C(NCc1cncc(-c2ccoc2)c1)NC(c1ccccc1)c1ccccc1 1775966777 YPETUQTYRBGTDP-UHFFFAOYSA-N 383.451 4.930 0 40 GJAB CCOc1ccc2cc3c(N)c(C(=O)N[C@H]4CCCC[C@@H]4C)sc3nc2c1 891632 XBLYZWYPPKOVHT-LRDDRELGSA-N 383.517 4.739 0 40 GJAB O=c1cc(-c2cc(Br)cc3c2OCOC3)oc2ccc(Cl)cc12 940970 MADUWAYVCBCOOU-UHFFFAOYSA-N 393.620 4.742 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Oc2ccccc2)c1 1022868 JOHHLSCSGVHOAC-JOCHJYFZSA-N 388.467 4.642 0 40 GJAB biogenic O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)Nc1cccc(Cl)c1 3193933 VYIZKSSWXNWUNP-UHFFFAOYSA-N 381.867 4.969 0 40 GJAB O=C(CSc1nc2ccccc2s1)Nc1c(F)c(F)c(F)c(F)c1F 3232706 LHJZUNFVKWBYQD-UHFFFAOYSA-N 390.358 4.723 0 40 GJAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1cccnc1Cl 3344418 GJCZLCQYLFNGOB-UHFFFAOYSA-N 379.869 4.728 0 40 GJAB Cc1cc(C)cc(NC2=C(Cl)C(=O)N(c3cccc4ccccc34)C2=O)c1 3953639 ZCSQSQHIQGFDSB-UHFFFAOYSA-N 376.843 4.892 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1 4487808 WVGPPDNXZRXNQC-UHFFFAOYSA-N 396.468 4.660 0 40 GJAB COc1ccccc1C(=O)N/C(=C/C=C/c1ccccc1)C(=O)Nc1ccccc1 4507430 CKPFYNJBVGSBIT-CUIRNFGYSA-N 398.462 4.661 0 40 GJAB O=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1F 4937712 YKHXGRBHWGFFRL-LNVKXUELSA-N 379.412 4.637 0 40 GJAB O=C(O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)C1CC1 4966378 DDFSFJYGYUAMQO-INIZCTEOSA-N 397.780 4.992 0 40 GJAB O=C(/C=C\Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)cc1 5331348 VFKLTRPWBNDQIW-FPLPWBNLSA-N 381.613 4.819 0 40 GJAB COc1ccc(NC(=O)Cc2cccc3ccccc23)cc1N1CCCCC1=O 5441944 XBLWDJFBLGWRRQ-UHFFFAOYSA-N 388.467 4.547 0 40 GJAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 6296316 LKAJAGCMZHZPIF-LICLKQGHSA-N 387.844 4.502 0 40 GJAB Cc1ccc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c(C)c1 6944861 JKOPJXNKZXDRCQ-UHFFFAOYSA-N 379.481 4.731 0 40 GJAB O=C1c2ccccc2N[C@@H](c2cc(Br)cs2)N1Cc1ccco1 7112806 UMUIYSADDUJZQO-MRXNPFEDSA-N 389.274 4.870 0 40 GJAB CCn1c(-c2ccccc2)cnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cn1 7126902 VIKOIAGPQMLKKD-ZDUSSCGKSA-N 386.908 4.738 0 40 GJAB CCn1nnc2cc(C(=O)Nc3nc(-c4c(C)cc(C)cc4C)cs3)ccc21 7796131 QNCBKLKXUKCXRE-UHFFFAOYSA-N 391.500 4.752 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 7807451 VSVUFHMRSJVTFY-NRFANRHFSA-N 396.531 4.776 0 40 GJAB CN(Cc1c(F)cccc1Cl)C(=O)c1cc(Cl)c2c(c1)OCCCO2 7990716 WDUXDEVMQCQHDO-UHFFFAOYSA-N 384.234 4.566 0 40 GJAB C[C@H](NC(=O)C[C@@](C)(C(=O)O)c1ccccc1)c1ccc(Cl)c(Cl)c1 8392448 GSPMYUAIXNAZLL-HXPMCKFVSA-N 380.271 4.603 0 40 GJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)O)c1C 8434556 NHUREHNNEPDYJY-UHFFFAOYSA-N 388.423 4.506 0 40 GJAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c1 8959772 CBFCHLNTZYTIHH-UHFFFAOYSA-N 394.515 4.963 0 40 GJAB CCOc1cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nc(C)n1 12225862 KAOYXKXCWZQUKF-UHFFFAOYSA-N 381.411 4.710 0 40 GJAB CCCc1noc([C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)n1 12854279 OZLXZZKXVNOZCA-ZDUSSCGKSA-N 385.537 4.968 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1C 12865794 RODNTORFLWUXFB-UHFFFAOYSA-N 393.468 4.634 0 40 GJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 12877932 UOGVUQZHAFLJIR-HGCZCZDDSA-N 391.511 4.603 0 40 GJAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N[C@H]3CCc4ccccc43)c2C)cc1 12901987 NTKDNGKQQGXBRD-RQOTYCFOSA-N 385.511 4.674 0 40 GJAB Cc1cc(-c2cc(C(=O)OCC(=O)c3ccco3)c3c(C)noc3n2)c(C)s1 14200688 LTGJAZXLFMKQDW-UHFFFAOYSA-N 396.424 4.509 0 40 GJAB O=C(CCC(=O)c1ccc(F)cc1)Oc1ccc(NC(=O)c2ccccc2)cc1 15539944 CZTDPPMBMJAOIB-UHFFFAOYSA-N 391.398 4.647 0 40 GJAB CCOc1ccc([C@H](CNC(=O)CC(C)C)c2c[nH]c3ccccc23)cc1OC 15670781 PNRVLUVFHLZKEB-IBGZPJMESA-N 394.515 4.869 0 40 GJAB CCc1ccc(OC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1 15964298 XTUDIPQNMZWSFI-UHFFFAOYSA-N 383.469 4.538 0 40 GJAB SC1=N[C@H](c2ccc3c(c2)OCO3)C=C(c2ccc(Cl)c(Cl)c2)N1 19074850 RHXCAESJSHOOSK-AWEZNQCLSA-N 379.268 4.693 0 40 GJAB O=C(Cc1noc2ccccc12)Nc1c(-c2ccc(F)cc2)nc2sccn12 19206620 PDEQVMBGZTUFJV-UHFFFAOYSA-N 392.415 4.524 0 40 GJAB CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)c(C)n1 19524554 PWBKIDWPADOXIX-JOCHJYFZSA-N 394.519 4.992 0 40 GJAB O=C(COc1ccc(F)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 19935082 FDTMJGOSNJUZSS-UHFFFAOYSA-N 383.806 4.728 0 40 GJAB O=C(Cc1csc(-c2ccccn2)n1)NC1CCC(c2ccccc2)CC1 25098586 HPUIDCIZNGNATI-UHFFFAOYSA-N 377.513 4.590 0 40 GJAB O[C@@H](CNc1nc(-c2cccs2)nc2ccccc12)c1ccc(F)c(F)c1 29588601 PWFJMLFFQOJMGH-KRWDZBQOSA-N 383.423 4.782 0 40 GJAB CC(=O)Nc1ccc(OC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 30022734 ABVMXXQKGIIACV-UHFFFAOYSA-N 385.423 4.512 0 40 GJAB CC[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(OC)cc1 30849618 WRTUVRGFFFPOSE-QFIPXVFZSA-N 397.496 4.917 0 40 GJAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1cc(Cl)c2c(c1)OCO2 32740827 RDZFRFHPFCOSKH-UHFFFAOYSA-N 391.814 4.636 0 40 GJAB O=C([C@@H](Sc1nnc(C2CCCCC2)o1)c1ccccc1)N1CCCCC1 32741720 QGILFQQHUBXMNI-SFHVURJKSA-N 385.533 4.963 0 40 GJAB O=C(NCc1ccccc1)C1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 32759952 LLRPBAAMRATSSF-UHFFFAOYSA-N 380.576 4.621 0 40 GJAB COc1cc2c(cc1OC)CN([C@@H](C)c1nc3ccccc3n1C(F)F)CC2 32904945 KAMCIJJBCHQIKI-ZDUSSCGKSA-N 387.430 4.568 0 40 GJAB Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3cccs3)n2)c1 33327438 RFQVSXSNISMBCA-UHFFFAOYSA-N 391.452 4.791 0 40 GJAB Cc1cc(C)cc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1 35310748 MRGKAEJOUFUMCV-YQQQUEKLSA-N 385.602 4.847 0 40 GJAB FC(F)(F)Oc1ccc(CNCc2c[nH]nc2-c2ccc(Cl)cc2)cc1 40024711 CDYCMQHEOWRUJO-UHFFFAOYSA-N 381.785 4.919 0 40 GJAB COc1cc([C@@H](C)NC(=O)/C=C/c2nc3ccccc3o2)ccc1OCC(C)C 40087665 AIVWRPUIFSXQCR-LPQFERQCSA-N 394.471 4.762 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)CSCc2ccc(F)cc2)cc1OCC 44881035 ARVBIGXYIUGQHF-OAHLLOKOSA-N 391.508 4.734 0 40 GJAB CCc1cc(N)cc(C)c1NC(=O)C(C)(C)Oc1ccc(Br)cc1 45890454 UMUCYNAPRWORHZ-UHFFFAOYSA-N 391.309 4.698 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)n2)cc1 72029746 OHPWCWAYOXNLFQ-MSOLQXFVSA-N 377.469 4.511 0 40 GJAB COc1ccc([C@@H](CNC(=O)[C@H](C)c2ccc(C)s2)N2CCCCC2)cc1 72311314 AQEMUUHUCOGWOY-YLJYHZDGSA-N 386.561 4.512 0 40 GJAB COc1ccc(CCC(=O)N2CCC(CSc3ccc(OC)cc3)CC2)cc1 90608270 YXJQIYPZYZTEQE-UHFFFAOYSA-N 399.556 4.667 0 40 GJAB c1coc(CN2CCC3(CC2)C[C@H](NCc2ccoc2)c2ccccc2O3)c1 96242822 OIYBWIICQFOYGK-NRFANRHFSA-N 378.472 4.521 0 40 GJAB COc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccc(C)cc1 107917094 VQOUIAHNMVQOFH-UHFFFAOYSA-N 390.435 4.622 0 40 GJAB COc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c2ccccc12 222569408 INABBNDUOORNBW-WVFSVQOHSA-N 375.497 4.833 0 40 GJAB COc1c(Cl)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl 222583955 BESGOEAKZBJUIH-CIISACIHSA-N 394.327 4.986 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)ccc1Cl 222853872 ZLKZVXLREFABED-LBPRGKRZSA-N 396.270 4.885 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)c1C 223027504 JPTUMKGCELKEDN-IBGZPJMESA-N 389.879 4.930 0 40 GJAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C 223092546 KBRLQTMFTRQBIA-LEWJYISDSA-N 382.577 4.825 0 40 GJAB COc1cc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c(OC)cc1Cl 223288059 XPSWZHNDUSCFDO-ZDUSSCGKSA-N 389.879 4.642 0 40 GJAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)CCc1ccc(Cl)c(Cl)c1 225338199 XIKNBVRETBILQB-OAHLLOKOSA-N 391.342 4.884 0 40 GJAB CCOc1ccc([C@H](C)NC(=S)Nc2c(F)cccc2F)cc1OCC 225750685 DRQIHYZOYIGOKJ-LBPRGKRZSA-N 380.460 4.810 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cccc4c3CCCC4)s2)cc1 225857575 DDYIOESTVZSNDC-HNNXBMFYSA-N 393.512 4.798 0 40 GJAB CCCCCC(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)c(Cl)c1 226351472 XZAWCGIOVOBVDM-UHFFFAOYSA-N 394.880 4.692 0 40 GJAB CC1(C)[C@H](NC(=O)CC(F)(F)F)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257219194 DFYYJEBPLLRWTD-XXFFEUEESA-N 381.438 4.638 0 40 GJAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 408981699 WDMJJUGQJXRPEA-MRXNPFEDSA-N 381.259 4.809 0 40 GJAB CO[C@@H](C(=O)Nc1c(Cl)cccc1Oc1cc(C)cc(C)c1)[C@H]1CCOC1 622890343 DDHSBXOIAVHVOC-MGPUTAFESA-N 389.879 4.739 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)c2cc(F)ccc2F)CN1c1cccc(F)c1 1615160343 ZGDBUNZLKNMTRZ-QFIPXVFZSA-N 388.433 4.768 0 40 GJAB CCOc1ccc2cc(-c3nnc(Nc4ccc(C)cc4)s3)c(=O)oc2c1 856291 CYTNPQRXJJMLCC-UHFFFAOYSA-N 379.441 4.762 0 40 GJAB O=c1oc2ccc(Br)cc2cc1-c1cn2cc(Cl)ccc2n1 856317 NXIRKRWBLKTSLB-UHFFFAOYSA-N 375.609 4.524 0 40 GJAB Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nc1ccccc1C(F)(F)F 1066562 USNYQZSZRUBZLH-UHFFFAOYSA-N 392.164 4.678 0 40 GJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NCc1ccccc1 1175336 QZDHENCRGDQQPQ-WUKNDPDISA-N 379.463 4.869 0 40 GJAB CCOC(=O)c1cccc(NC(=O)CSc2nc3cc(C)ccc3cc2C)c1 1221550 GYJQXSXFTDQKTN-UHFFFAOYSA-N 394.496 4.759 0 40 GJAB CCOc1ccc(/C=C/C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1OCC 1780508 XPCJSUXRKBKCRM-YRNVUSSQSA-N 394.423 4.518 0 40 GJAB COc1ccc(N2C(C(C)=O)=NN(c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 2137696 PFQVEGZITIEIRH-XMMPIXPASA-N 385.467 4.932 0 40 GJAB CC(C)[C@H]1Cc2c(sc3nc(SCCc4ccccc4)nc(N)c23)CO1 2214887 QZPHVBBBESDDBI-OAHLLOKOSA-N 385.558 4.706 0 40 GJAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccs2)sc1C 2251357 LMPHJRMYGQACCC-INIZCTEOSA-N 394.477 4.678 0 40 GJAB O=C(Nc1ccccc1C(=O)OCC(=O)c1cccc2ccccc12)c1ccco1 3526081 HGXHHBHFCNQLGY-UHFFFAOYSA-N 399.402 4.725 0 40 GJAB CCOc1ccc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1 4120150 OTRAPYJVLBQVPI-UHFFFAOYSA-N 392.883 4.623 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccccc2F)o1 4301352 ACXRZVUTMUPFDC-AWEZNQCLSA-N 379.457 4.573 0 40 GJAB CC(C)(C)S(=O)(=O)c1ccccc1C(O)(c1ccccc1)c1ccccc1 4718852 AWRZTCHOVQVACZ-UHFFFAOYSA-N 380.509 4.543 0 40 GJAB C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 4744039 LIVJANRCEVGFOL-AWEZNQCLSA-N 390.405 4.972 0 40 GJAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@](C)([C@@H](C)NC(C)=O)C=C3CC[C@@H]12 5160267 VHIFCGQMUHNGPP-QHNGCKEESA-N 375.553 4.633 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)CSc3ccc4ccccc4n3)c2C)no1 5627517 RUBFGBKZHTZWAD-UHFFFAOYSA-N 377.469 4.914 0 40 GJAB O=C(O)c1cccc(CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c1 5649310 YHTHXIKKTWNACQ-UHFFFAOYSA-N 380.256 4.769 0 40 GJAB C[C@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)c1c[nH]c2ccccc12 6140885 ZPAHZZBOPHEHEX-AWEZNQCLSA-N 392.480 4.915 0 40 GJAB O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1ccc2ccccc2c1 6549047 ZACLAIJLHHXESX-UHFFFAOYSA-N 389.524 4.562 0 40 GJAB O=C(NC(=S)Nc1cccnc1)c1sc2cc(Cl)ccc2c1Cl 6615390 YVXXYXOITCZMLK-UHFFFAOYSA-N 382.297 4.730 0 40 GJAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cnn(-c2ccccc2)c1 7088139 XLQAZDGTATVKPU-QHCPKHFHSA-N 396.450 4.652 0 40 GJAB Cc1nn(CC(C)C)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112967 WAEVTRCPDRJVNT-HXUWFJFHSA-N 398.894 4.861 0 40 GJAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 7799567 QBUDCOBORSZKHR-AWEZNQCLSA-N 390.512 4.527 0 40 GJAB CCOc1ccccc1Nc1nnc(SCc2cn3ccccc3n2)s1 9466849 SRHICXODSVXHCN-UHFFFAOYSA-N 383.502 4.620 0 40 GJAB Cc1ccc(C)c(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1 9877124 ZXKLDKDVDPAWDP-UHFFFAOYSA-N 378.303 4.964 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 10139979 OOZMGKBEYDRJCT-MRXNPFEDSA-N 389.499 4.577 0 40 GJAB CC(C)n1ncc2c(C(=O)N3CCc4ccccc43)cc(-c3cccs3)nc21 10510625 WDLDSAFXWOEEAY-UHFFFAOYSA-N 388.496 4.944 0 40 GJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1CC 11973733 LQZLVTXXUCZSHS-UHFFFAOYSA-N 394.544 4.572 0 40 GJAB Cc1ccc(Cc2cnc(NC(=O)c3cc4ccccc4c(=O)s3)s2)cc1 12274417 LHONSBILDKNJJR-UHFFFAOYSA-N 392.505 4.870 0 40 GJAB Cc1ccc(-n2nc(C)c(NS(=O)(=O)c3ccc4ccccc4c3)c2C)cc1 12536319 YRZVVYCIKSFNGL-UHFFFAOYSA-N 391.496 4.752 0 40 GJAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)[C@H](C)c2ccccc2)cc1 12795728 FUZSKECRWSOIOH-MRXNPFEDSA-N 380.517 4.526 0 40 GJAB O=C(Nc1ccccc1C(=O)NCCc1cccc(Cl)c1)c1ccccc1 12924577 VXHWNJPOQRRJSY-UHFFFAOYSA-N 378.859 4.565 0 40 GJAB FC(F)(F)c1ccc(CN2CCCN(c3nc4ccccc4o3)CC2)cc1 14254122 XSXTVQOPXZUHSA-UHFFFAOYSA-N 375.394 4.559 0 40 GJAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 14775790 QFWINOUISNOJNX-LLVKDONJSA-N 377.341 4.726 0 40 GJAB CC(C)[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1nc2ccccc2[nH]1 14776465 HJSNIGSTQAKIKC-QFIPXVFZSA-N 388.471 4.664 0 40 GJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)CCc1ccccc1 16031658 JNKGACXEIDEDAG-IEZKXTBUSA-N 393.527 4.523 0 40 GJAB biogenic Cc1ccc(C)c(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c1 16839913 LUXSPMCUXJOORW-UHFFFAOYSA-N 384.435 4.565 0 40 GJAB CC(=O)c1cccc(N/C=C2/C(=O)N(Cc3ccccc3)C(=O)c3ccccc32)c1 18182173 NKEONEDOQISAKQ-HZHRSRAPSA-N 396.446 4.525 0 40 GJAB CCc1nnsc1C(=O)N1CCC[C@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 19691264 KPVYFHQOZKOUIJ-IBGZPJMESA-N 396.491 4.587 0 40 GJAB CCCC[C@@H](CC)CNC(=O)/C(=C\c1ccc(OCC)cc1)n1ccccc1=O 19809069 ODOCTFIQKHRJAD-ACXJOVJBSA-N 396.531 4.578 0 40 GJAB CCCC[C@H](CC)CNC(=O)/C(=C\c1ccc(OCC)cc1)n1ccccc1=O 19809073 ODOCTFIQKHRJAD-WXNAFCGMSA-N 396.531 4.578 0 40 GJAB COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1-c1ccc(CO)o1 20143598 LTBOPKXIPOFDCT-UHFFFAOYSA-N 391.467 4.898 0 40 GJAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1OC 20495346 XVCQLVYEIORGLR-LLVKDONJSA-N 385.407 4.842 0 40 GJAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1)c1cccnc1 20737831 YWWSUIRQYRTQFW-UHFFFAOYSA-N 376.799 4.761 0 40 GJAB biogenic COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 22075712 JRAWRVHSVGLXSU-NRFANRHFSA-N 397.902 4.751 0 40 GJAB O=C(COc1ccc2ccccc2c1)NCc1cc(-c2cc3ccccc3o2)on1 22768742 RNJAHOZEKYEWII-UHFFFAOYSA-N 398.418 4.936 0 40 GJAB COc1ccc(Cc2nc(-c3cccc(NC(=O)c4ccccc4)c3)no2)cc1 28222162 HILMCFSGNIEISV-UHFFFAOYSA-N 385.423 4.588 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 28236315 VQIGAZMXYXELMK-UHFFFAOYSA-N 385.803 4.801 0 40 GJAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 30315840 RZKGFPFYFYGNIH-CQSZACIVSA-N 380.916 4.507 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)c1ccccc1OCc1ccccc1 30847911 GLNHGIJQWYCZDS-UHFFFAOYSA-N 397.478 4.690 0 40 GJAB Cc1sc2nc(SCc3cc(Cl)cc4c3OCOC4)nc(N)c2c1C 31822454 GQIPOWCUARDDDF-UHFFFAOYSA-N 393.921 4.703 0 40 GJAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(F)cc1Cl 31967609 SAMBWDCWXSAOOS-UHFFFAOYSA-N 383.732 4.936 0 40 GJAB CC(C)(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2Cl)C1 57176050 IDFVFTMZUQGKJS-UHFFFAOYSA-N 396.922 4.690 0 40 GJAB Cc1cc(=O)oc2cc(NCC(=O)N[C@@H](C)c3ccc4ccccc4c3)ccc12 57661343 AKTBTCHAWBVISF-INIZCTEOSA-N 386.451 4.544 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1nc(-c2cccs2)oc1C 58919681 JDNQCJQXFXZATN-CYBMUJFWSA-N 394.452 4.929 0 40 GJAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 59500382 YSLRGAYAMFNPGA-PGAZUGQPSA-N 393.486 4.956 0 40 GJAB biogenic Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c(C)c1 67297839 IGIXTSTXGDQLCH-LCUIJRPUSA-N 399.450 4.943 0 40 GJAB CCc1ncc(CN2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 72350250 UNBZRYQPBGWDAL-LJQANCHMSA-N 376.479 4.620 0 40 GJAB FC(F)(F)c1cccc(-c2cncc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 72359401 QFFMXPQCCWEANL-GOSISDBHSA-N 398.432 4.937 0 40 GJAB CCn1cc(CN2CCC[C@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)cn1 72372463 HOWZKFOSCNPMHE-DEOSSOPVSA-N 390.531 4.543 0 40 GJAB CC(C)(C)Cc1noc2ncc(C(=O)N[C@@H]3CCSc4ccccc43)cc12 84169933 MIQVQZUWRPBESP-MRXNPFEDSA-N 381.501 4.778 0 40 GJAB COc1cc(C(C)=O)ccc1OCCCC(=O)O[C@@H](C(C)(C)C)C(F)(F)F 89292152 YSZIDLIGSYHRBK-KRWDZBQOSA-N 390.398 4.577 0 40 GJAB CC(C)(C)OC(=O)N1CCC(Oc2ncc(C(F)(F)F)cc2Cl)CC1 91365830 OCCRBHFNTBZJHN-UHFFFAOYSA-N 380.794 4.532 0 40 GJAB FC(F)(F)Cc1noc(CSc2ncc(C(F)(F)F)cc2Cl)n1 95401554 YXSJJUVBYITJIO-UHFFFAOYSA-N 377.697 4.534 0 40 GJAB c1ccc(SCc2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 95471835 JIQNDSOYCIJHCT-UHFFFAOYSA-N 382.558 4.946 0 40 GJAB Fc1cccc(-c2ccc3nc(C4CCN(Cc5ccsc5)CC4)nn3c2)c1 96038196 LNSZAYDSGASZSL-UHFFFAOYSA-N 392.503 4.977 0 40 GJAB COc1cc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c(OC)cc1Cl 219859009 CZITTZUAINEUMR-UHFFFAOYSA-N 388.895 4.521 0 40 GJAB COC(=O)c1cn(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc12 222605468 HVJPBATYAZHAOO-AWEZNQCLSA-N 385.847 4.806 0 40 GJAB COc1ccc(OC[C@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1 222690758 HASNBUXSLHPGAH-HNNXBMFYSA-N 393.936 4.805 0 40 GJAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1cccc2ccccc12 222860397 HSQKXLUECXGSQM-UHFFFAOYSA-N 380.296 4.766 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)c1 222931795 SPPJYFRVGZFWAP-HXUWFJFHSA-N 383.488 4.957 0 40 GJAB CCc1ccc(CC)c(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 224348997 GBZCXFKLCFLBED-UHFFFAOYSA-N 386.344 4.738 0 40 GJAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COC(C)C 224428738 DOURWQUMMZQNNF-UHFFFAOYSA-N 381.516 4.715 0 40 GJAB Fc1cc(Br)ccc1NC(=S)NCCCOC1CCCCC1 225617725 XONVAXYMZHVMBC-UHFFFAOYSA-N 389.334 4.614 0 40 GJAB S=C(Nc1nc(Cl)cc(Oc2ccccc2)n1)NC1CCCCCC1 226011422 ZJMBBBSIBCAUBR-UHFFFAOYSA-N 376.913 4.932 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c(C)c1 243699491 PLTOGFHQUSJZCY-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB COc1ccccc1N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1 408624327 GVHRDCYSDFIFTR-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB CCCCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccc(C)cc3o2)c1 408627709 NEJDNRJGVAAGQC-UHFFFAOYSA-N 397.500 4.902 0 40 GJAB O=C(Nc1ccccc1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408698183 LUOJWTLPKCUVLD-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB O=C(O)c1cccc2c1N[C@H](c1ccc3c(c1)OCO3)[C@H]1Cc3ccccc3[C@@H]21 408994420 FXETWQSUGKXKEZ-YUXAGFNASA-N 385.419 4.585 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)c1 409095812 IHTIYZBPHCWUAD-UHFFFAOYSA-N 394.544 4.949 0 40 GJAB CC[C@H](c1cccc(OC)c1)N(C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 585083903 XQZVDFCGZPCZMD-HXUWFJFHSA-N 395.528 4.501 0 40 GJAB CO[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 585149240 PERLIGYTMPUVLB-GOSISDBHSA-N 394.254 4.622 0 40 GJAB Cc1ncccc1CN[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 608066223 MBEXDXUHUHUNNF-QFIPXVFZSA-N 380.875 4.694 0 40 GJAB CCNc1cc(CNC(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)ccn1 1221926636 BNRQWEZTCJGTAL-FQEVSTJZSA-N 380.492 4.765 0 40 GJAB CC1(c2ccc(Br)cc2)CCN(C(=O)c2ccc(F)cc2)CC1 1523814214 XBXHPVKNBFHWCI-UHFFFAOYSA-N 376.269 4.782 0 40 GJAB CCOc1ccccc1C(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615123353 UMMZVDHCRTZRFN-DEOSSOPVSA-N 396.506 4.888 0 40 GJAB COC(=O)c1cn(Cc2ccccc2Cl)c2cc(C(C)(C)C)ccc2c1=O 1889298584 PBQJIDMCFNYNDA-UHFFFAOYSA-N 383.875 4.787 0 40 GJAB Cc1cc(C)cc(N2C(=O)[C@@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c1 637594 CHQURUJKEPAPBM-ZOVQAKDCSA-N 393.486 4.874 0 40 GJAB COc1ccccc1[C@@]1(CCNC(=O)c2cccs2)CCO[C@@H](C(C)C)C1 2147282 BBCRVOCQADCCJZ-KNQAVFIVSA-N 387.545 4.650 0 40 GJAB biogenic COc1ccccc1Cn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 2253239 MADIXAGNHBYUJM-UHFFFAOYSA-N 384.414 4.843 0 40 GJAB CCc1nc2oc(C(=O)c3ccc(Cl)cc3)c(N)c2c2c1COC(C)(C)C2 2275376 WTXXLGXNRNLTBY-UHFFFAOYSA-N 384.863 4.708 0 40 GJAB Cc1nc2sc3c(N4CCCC[C@@H]4C)ncnc3c2c2c1COC(C)(C)C2 2435422 JWRDZQFVEUYEQN-LBPRGKRZSA-N 382.533 4.778 0 40 GJAB CC(C)[C@H]1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O 2965392 XIYYSYOXKJHDTR-QGZVFWFLSA-N 383.904 4.888 0 40 GJAB N=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccc(Cl)cc1Cl 4604713 LJJNCQLXDBGMKR-HORWBTFVSA-N 393.251 4.778 0 40 GJAB CCOc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)c(C)c1C 4667049 IDCFDHLMXVGRRX-UHFFFAOYSA-N 391.876 4.671 0 40 GJAB CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4)=NN3C(C)=O)cc2c1 4980879 SUSPHSHRXGKSFJ-NRFANRHFSA-N 393.874 4.985 0 40 GJAB CCC(=O)OC1(c2ccccc2)CCN(CCCC(=O)c2ccccc2)CC1 5046331 OABMFFJUPVFTDD-UHFFFAOYSA-N 379.500 4.594 0 40 GJAB O=C(C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)O)c1ccc(Cl)cc1 5331352 FBJPVZNHDQKPQZ-CYBMUJFWSA-N 389.782 4.572 0 40 GJAB c1csc(C2=NN3[C@H](c4ccc5c(c4)OCO5)Oc4ccccc4[C@H]3C2)c1 5739540 GDHYHXISVVXYFL-IERDGZPVSA-N 376.437 4.719 0 40 GJAB Cc1ccccc1CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 6098531 USAIRITZJUYZEN-UHFFFAOYSA-N 398.491 4.634 0 40 GJAB CCN(C(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21)c1ccccc1 6630123 XQVCPMYWJDOTJI-UHFFFAOYSA-N 382.463 4.925 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1 6866399 SVIBIFIIGLYDEE-UHFFFAOYSA-N 386.662 4.680 0 40 GJAB Cc1ccc(OCC(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1C 7803274 QSEIYRRWSGAOQM-UHFFFAOYSA-N 389.451 4.678 0 40 GJAB CCc1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)C(C(=O)OC)=C2C)cc1 8085552 UEUZSHMLVKMCQE-ATVHPVEESA-N 399.849 4.919 0 40 GJAB COc1cc(-c2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccccc1 8113963 WMHASNARTHYQTJ-UHFFFAOYSA-N 397.477 4.740 0 40 GJAB CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccc(Cl)s1 8164334 QHIKICCHIPKNGY-UHFFFAOYSA-N 391.968 4.852 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)c1 8410135 REWXPAUUAKQTMZ-UHFFFAOYSA-N 383.517 4.577 0 40 GJAB COc1cc2c(cc1[C@@H]1Nc3ccccc3C(=O)N1C1CCCC1)O[C@H](C)C2 8719573 RLKLHAXHWYTNJE-JLCFBVMHSA-N 378.472 4.528 0 40 GJAB CCCCc1ccc(-n2nc3cc(Cl)c(N)c(Br)c3n2)cc1 8729526 MDHXXWHLCWQDHM-UHFFFAOYSA-N 379.689 4.761 0 40 GJAB CC(C)(C)c1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 9040262 NLPGFNJBOBTPSH-HNNXBMFYSA-N 399.922 4.812 0 40 GJAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1cc(C)ccc1C 9663103 ZSHNTFBJFMLMKV-QGZVFWFLSA-N 379.529 4.869 0 40 GJAB C[C@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1cccc(Cl)c1Cl 11500160 DDKSAIOUFUNZIZ-JTQLQIEISA-N 399.347 4.964 0 40 GJAB CCOc1cc(Cl)c(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1Cl 11566477 BRVJILQQZDVWNV-UHFFFAOYSA-N 382.353 4.885 0 40 GJAB CCc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12 12342108 NJSWBKKKGXBNGX-UHFFFAOYSA-N 383.451 4.567 0 40 GJAB Cc1nc(-c2cc3ccc(OC(=O)c4ccc(F)cc4)cc3oc2=O)cs1 12390728 LWIUSAGHOXJQDC-UHFFFAOYSA-N 381.384 4.583 0 40 GJAB Cc1cccc(OCC(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1C 12730292 PBLNTEKLIJHBMB-UHFFFAOYSA-N 378.399 4.658 0 40 GJAB Cc1oc(-c2cccs2)nc1CSc1ccc(C(=O)N2CCCC2)cn1 12762287 BRVCTCBOTFUPIC-UHFFFAOYSA-N 385.514 4.635 0 40 GJAB C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)NCc1ccccc1 12778082 KNNPNSQUXRTZJI-SFHVURJKSA-N 384.483 4.928 0 40 GJAB CC(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)o2)cc1 12854737 WVIBYFXOMYVAEY-UHFFFAOYSA-N 399.450 4.607 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(C)Cc1cccs1 12984858 AFYCFVXPMWFSBK-ZHACJKMWSA-N 399.947 4.935 0 40 GJAB O=C(c1ccc(Cl)cc1)N(C(=S)OCc1ccccn1)c1ccccc1 13222908 JYMQQJOGFZIRNT-UHFFFAOYSA-N 382.872 4.884 0 40 GJAB CC1=Nc2ccccc2N=C(NC(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccccc1 14607974 VEGRREKYGZPTRO-JOCHJYFZSA-N 397.434 4.765 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc2ccccc2o1 15018960 JDWPIPLZILNUGS-UHFFFAOYSA-N 396.447 4.581 0 40 GJAB O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(Br)cc1Cl 16129571 ZYWPTMPVWBEONW-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB Cc1ccccc1-n1nc(C)c(-c2cncn2CCCN2CCCCC2)c1C 19719684 XQOKNNDWGDHZLX-UHFFFAOYSA-N 377.536 4.537 0 40 GJAB Cc1csc(SCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)n1 21335004 DGKVENQRFHAKBQ-QGZVFWFLSA-N 382.510 4.711 0 40 GJAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)C1 21741603 MAWWDUVYOJUCIG-MGPQQGTHSA-N 393.603 4.648 0 40 GJAB Cc1ccn2c(NC(=O)c3cn4c(C)cccc4n3)c(-c3ccc(F)cc3)nc2c1 21826644 YRXHUGRYHNCXFT-UHFFFAOYSA-N 399.429 4.657 0 40 GJAB CCN(C(=O)CSc1nccc(C(F)(F)F)n1)c1cccc2ccccc12 22614336 LGCOKCZTQVKSRR-UHFFFAOYSA-N 391.418 4.794 0 40 GJAB CC(C)n1c(SCc2ncc(-c3ccccc3)o2)nc2ccccc2c1=O 24218080 NBOSPRXCSQFTCE-UHFFFAOYSA-N 377.469 4.925 0 40 GJAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(OC(F)(F)F)cc1 24452258 OMJRTIMERSJYPG-UHFFFAOYSA-N 382.363 4.791 0 40 GJAB O=C(Nc1ccccc1N1CCc2ccccc2C1)c1cc2ccccc2oc1=O 25798452 PQASQHMSQCNYGG-UHFFFAOYSA-N 396.446 4.608 0 40 GJAB COc1cc(CCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1 30115529 CEODFRUUVNCSGD-ZDUSSCGKSA-N 381.394 4.533 0 40 GJAB CCOc1cc(C(=O)Nc2ccccc2OC)cc(Br)c1OCC 33788742 PZAAUWGRNXRVRM-UHFFFAOYSA-N 394.265 4.507 0 40 GJAB O=C(c1ccccc1)N1N=C(c2ccsc2)C[C@@H]1c1ccc2nccnc2c1 40285461 FHZYHRCBYAHJJB-OAQYLSRUSA-N 384.464 4.683 0 40 GJAB CCOc1ccccc1NC(=O)N(CC)Cc1cc(=O)[nH]c2c(C)cc(C)cc12 41076938 XACAFRRQMYWOND-UHFFFAOYSA-N 393.487 4.598 0 40 GJAB O=C(CCCCc1nc2ccccc2s1)N1CCO[C@@H](c2ccc(F)cc2)C1 44709346 HAVYFYZZAZAHSJ-LJQANCHMSA-N 398.503 4.748 0 40 GJAB CC(C)(C)[C@H](NC(=O)Nc1cccc(CN2CCOC2=O)c1)c1cccs1 58146445 WBYQGDQLQXMBBD-QGZVFWFLSA-N 387.505 4.609 0 40 GJAB O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1nccc2ccccc12 65515379 BNXTZDLTOKRVGY-UHFFFAOYSA-N 388.471 4.895 0 40 GJAB COc1cccc(-n2c(SCc3cccc(C)c3)nc3ccccc3c2=O)c1 67259223 AHWIETFCTHXFQT-UHFFFAOYSA-N 388.492 4.995 0 40 GJAB C[C@H]1CN(c2ccc(NC(=O)Nc3cccc4cccnc34)cc2F)C[C@H](C)O1 71831263 YMVHVBHKOXGHPL-GJZGRUSLSA-N 394.450 4.632 0 40 GJAB C[C@H](C(=O)N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1ccccc1 72396961 VMYVZYRJFSDZHQ-KKSFZXQISA-N 393.918 4.882 0 40 GJAB CCc1ccc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)c(Br)c1 218863551 NLSQCRNYAKTQCI-HNNXBMFYSA-N 390.321 4.885 0 40 GJAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccc2ccccc2c1 222785022 AAVNHWDDEQCXRY-UHFFFAOYSA-N 380.296 4.766 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1C(C)C 223654418 DCDMWSRZAOLAAS-UHFFFAOYSA-N 389.517 4.941 0 40 GJAB COc1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1 224093465 SJNIFWKKCRHDLU-UHFFFAOYSA-N 393.508 4.796 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)COc3cc(C)c(Cl)c(C)c3)s2)cc1 224865672 LLKQZVNWYMVNRC-UHFFFAOYSA-N 387.892 4.801 0 40 GJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)N[C@H](C)CC)cc1 225004468 IZACAODNQCHAFO-WOJBJXKFSA-N 394.559 4.514 0 40 GJAB Cc1ccc(SCCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 225287095 ACYLZFNMYKINMS-UHFFFAOYSA-N 399.585 4.509 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225738714 ASDCRBYWEXGYHB-WMZHIEFXSA-N 390.568 4.864 0 40 GJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C(=O)N1Nc1ccccc1 225937426 VCDZWOTXDLWVDZ-LWSSLDFYSA-N 394.474 4.752 0 40 GJAB CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(Cl)c3)nc2c1 226344353 CAUCJJJZAQMDKO-UHFFFAOYSA-N 379.641 4.823 0 40 GJAB Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(Cc3cccc4[nH]ccc34)C2)n1 257330975 XQVPKTNUCSQEMZ-SFHVURJKSA-N 386.499 4.899 0 40 GJAB CCOC(=O)c1c(NC(=O)CSCc2ccc(C)cc2)sc2c1CCC2 408574644 BAFXRVBTSJPEON-UHFFFAOYSA-N 389.542 4.594 0 40 GJAB CN(C)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 408625870 ZLCFJCIXWMAXFB-UHFFFAOYSA-N 383.904 4.686 0 40 GJAB COc1cc(C)c(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 409051669 MJWRLDOFDVKOKH-ODLFYWEKSA-N 383.469 4.557 0 40 GJAB O=C1N/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1Cc1ccccc1 409243093 YNSZTMQNFKXBEI-LDADJPATSA-N 378.815 4.693 0 40 GJAB Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)N1CCC[C@H]1CCO 429426649 NRWKFEPSHFAGIN-SFHVURJKSA-N 388.895 4.606 0 40 GJAB CC(C)c1cccc([C@@H](C)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c1 527885198 SSZXOXMVGXULEG-GOSISDBHSA-N 379.548 4.680 0 40 GJAB O=C(NCCc1ccc(-c2ccsc2)s1)c1cncc(Br)c1 575413997 GKWHQGWMBWCZGK-UHFFFAOYSA-N 393.331 4.607 0 40 GJAB C[C@@H](NC(=O)CC1(N2Cc3ccccc3C2=O)CCCCC1)c1ccccc1 1548348426 KTICIGVOHSMUFW-GOSISDBHSA-N 376.500 4.613 0 40 GJAB Cc1ccc(S(=O)(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)c(F)c1 1653505573 TYIVKEBJVSTARA-OAQYLSRUSA-N 387.451 4.683 0 40 GJAB CSC1(CNC(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)CCC1 1670869729 ATUKJEYOLNVOOH-UHFFFAOYSA-N 388.508 4.745 0 40 GJAB CC(C)c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 714586 NSXQWELFXOZRJT-UHFFFAOYSA-N 380.540 4.719 0 40 GJAB O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 780487 OZTDRGKWHNNYKX-UHFFFAOYSA-N 397.346 4.685 0 40 GJAB CN1CCc2nc3sc(C(=O)C(C)(C)C)c(N)c3c(-c3cccs3)c2C1 988694 GUIAEFNSAAOESN-UHFFFAOYSA-N 385.558 4.824 0 40 GJAB O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1)c1ccccc1 1086646 NBTCWULLIDZWQU-FQEVSTJZSA-N 398.384 4.756 0 40 GJAB C[C@H]1CCc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2C1 1510187 NXMWYPIPGXOPMB-AWEZNQCLSA-N 376.481 4.751 0 40 GJAB O[C@@H](c1cc(C(F)(F)F)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 1572962 GBOMJGJESBMUBL-WFASDCNBSA-N 379.209 4.736 0 40 GJAB in-vitro CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2376913 GJXFCZMVOJPFSS-AWEZNQCLSA-N 388.471 4.667 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)Cc3cccc(OC)c3)sc2C)cc1 2627383 KPPCJSGTXNHSNM-UHFFFAOYSA-N 382.485 4.707 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)COc3ccccc3F)sc2C)cc1 2656062 GPMSBAAXAIRRTK-UHFFFAOYSA-N 386.448 4.674 0 40 GJAB COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2Cc1cccc(C)c1 2687693 INDMDBOTHRPEBG-UHFFFAOYSA-N 397.474 4.906 0 40 GJAB O=C(Oc1cc(Cl)ccc1Cl)c1ccccc1I 3360084 RDXZZMKIYZAZGV-UHFFFAOYSA-N 393.007 4.817 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2nc3ccccc3o2)CC1 3433369 UNZQZKFECUEGHD-UHFFFAOYSA-N 389.377 4.702 0 40 GJAB COCCCN(C(=O)c1cccc(C)c1)c1nc(-c2ccc(OC)cc2)cs1 4169377 XPZMJQVFTMRZDO-UHFFFAOYSA-N 396.512 4.810 0 40 GJAB COc1ccccc1NC(=O)Nc1cc(C)cn(Cc2ccc(Cl)cc2)c1=O 5000889 NYWGCGIDWJZYJF-UHFFFAOYSA-N 397.862 4.511 0 40 GJAB COc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 5007501 LRBJSXTUQPZYKC-GFCCVEGCSA-N 399.541 4.556 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1 5032809 KQHGAXPVJRXWAX-UHFFFAOYSA-N 384.819 4.723 0 40 GJAB Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccccc4)c4ccccc4N23)c1C 5185725 XDQORVXRPYKAGK-UHFFFAOYSA-N 398.466 4.826 0 40 GJAB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 5750528 VYKVDHWYMDJJRH-LICLKQGHSA-N 394.858 4.523 0 40 GJAB Cn1c(COc2ccccc2Cl)nnc1SCc1ccc(Cl)cc1 6320558 FRXNVRGHSXUGJR-UHFFFAOYSA-N 380.300 4.993 0 40 GJAB C[C@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl 6509490 ULOODFOBKRBGEW-CYBMUJFWSA-N 384.328 4.983 0 40 GJAB Cc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc12 6527696 JNCRLUSSDGKNAM-UHFFFAOYSA-N 377.391 4.688 0 40 GJAB Cn1c(Cc2ccccc2)nnc1SCc1csc(-c2ccccc2)n1 6548195 GQUZWTXTMOBHNE-UHFFFAOYSA-N 378.526 4.822 0 40 GJAB CN(C)c1ccc([C@@H](CNC2CCSCC2)c2c[nH]c3ccccc23)cc1 6651081 LUJXTTYQXVAQHO-OAQYLSRUSA-N 379.573 4.851 0 40 GJAB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3F)cc1)S[C@H](C)C(=O)N2 6678716 HXLMOJZPMMKMDJ-YJYMSZOUSA-N 397.475 4.599 0 40 GJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1-c1ccccc1 7471627 QIMPRPDOUKGTLP-UHFFFAOYSA-N 386.480 4.870 0 40 GJAB CCc1nnc(S/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)O)o1 7508359 NEOIMEGEMZYEPJ-ATVHPVEESA-N 391.452 4.998 0 40 GJAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 8208105 WGHQXYUQZMRKAS-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl 8267786 MMKBDELNYBYWQZ-UHFFFAOYSA-N 388.939 4.700 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(NCCc3ccccc3)s2)cc1 8853008 PHIFXLPPXZIOKF-OAHLLOKOSA-N 398.557 4.620 0 40 GJAB CC(C)[C@H](NC(=O)N(C)Cc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 9791490 DEPQGFIAVLBWTI-FQEVSTJZSA-N 388.895 4.650 0 40 GJAB C[C@H](OC(=O)c1c[nH]c2ccccc12)C(=O)N(c1nccs1)C1CCCCC1 10744929 ZTSQHVRFLZJYPX-AWEZNQCLSA-N 397.500 4.536 0 40 GJAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(SC(F)F)cc1 11714544 ZKPHDXMJNJRYNT-UHFFFAOYSA-N 376.472 4.527 0 40 GJAB COc1ccccc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 12588401 JNUNAZHGXXBLNL-UHFFFAOYSA-N 389.480 4.765 0 40 GJAB CC(C)(C)c1ccccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12780632 RSGFFCOCTWBMBW-BUHFOSPRSA-N 390.527 4.875 0 40 GJAB COc1ccc(-c2cc(CC(=O)Nc3ccc(C(C)C)cc3)no2)cc1OC 13574391 CXBSAVUKVGPSQV-UHFFFAOYSA-N 380.444 4.663 0 40 GJAB Cc1cccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c1C 17135659 YGZZQVIJNFEGMS-UHFFFAOYSA-N 399.903 4.847 0 40 GJAB COc1ccc(OCCCC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 19933229 CJMDHOULSKSCCW-JOCHJYFZSA-N 385.504 4.766 0 40 GJAB CCOc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1Cl 20142388 SIKKYIHWDWBYJB-UHFFFAOYSA-N 388.634 4.996 0 40 GJAB NC(=S)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 20154534 CIJLULWSMSKODP-UHFFFAOYSA-N 382.670 4.566 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1cccnc1SCC(F)(F)F 22522572 FQQPNKZEMBDVOD-UHFFFAOYSA-N 376.787 4.650 0 40 GJAB O=C(c1ccc(Cl)s1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 23078997 RQIHLZATKRBQEQ-UHFFFAOYSA-N 394.283 4.910 0 40 GJAB O=C(c1cncc(Br)c1)N(CCc1ccccc1)Cc1ccccc1 23198154 BIGQDOHUKWRPQT-UHFFFAOYSA-N 395.300 4.729 0 40 GJAB Cc1c(C(=O)Nc2nc(-c3ccccn3)cs2)cnn1-c1cccc(Cl)c1 24670040 UGABWUPJMVZBIU-UHFFFAOYSA-N 395.875 4.605 0 40 GJAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1cccc(F)c1)Cc1ccco1 27989350 ITRAKRKUMKWLGN-UHFFFAOYSA-N 395.361 4.507 0 40 GJAB CC(C)COc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2O)cc1Cl 30512287 MNRJOXZVICBOJR-UHFFFAOYSA-N 388.773 4.747 0 40 GJAB CN(Cc1cccs1)C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 31528551 LOWUASXYHHNRPL-UHFFFAOYSA-N 387.508 4.932 0 40 GJAB Cc1ccc(-c2noc(COc3ccccc3C(=O)NC3CCCCC3)n2)cc1 32579123 XOLYGBRYEHNMDQ-UHFFFAOYSA-N 391.471 4.687 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)cc1 33290458 QQHNJOSLTWIQIF-INIZCTEOSA-N 386.455 4.540 0 40 GJAB O=C(NCc1ccccc1)c1sc(N2CCCCC2)nc1-c1ccccc1 36293517 LVUMXPXQYDBTOG-UHFFFAOYSA-N 377.513 4.730 0 40 GJAB CCn1ncc2c(C(=O)N3c4ccccc4C[C@H]3C)cc(-c3ccccc3)nc21 36615885 VDNLLHZHVMWZEC-MRXNPFEDSA-N 382.467 4.710 0 40 GJAB C[C@@H](Sc1ncc(Cl)cc1Cl)c1nc(N)nc(Nc2ccccc2)n1 40067169 PKOHTBXMPIPQNU-SECBINFHSA-N 393.303 4.753 0 40 GJAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 40081007 MROGHNCIMQZDQX-SJORKVTESA-N 392.421 4.677 0 40 GJAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(SC)cc2)c1 40287134 KSQGJRNFULQBIJ-MRXNPFEDSA-N 395.484 4.735 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2Cl)c(OC)c1 40288589 ZNINKCOBDGMCEM-CQSZACIVSA-N 383.835 4.667 0 40 GJAB Cc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1C(=O)N1CCCC1 46909522 KBJWIAQHDWOVMH-UHFFFAOYSA-N 391.298 4.719 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1 58438979 ULCYXSYAEGWPEO-ROUUACIJSA-N 391.487 4.612 0 40 GJAB CCc1ccc(NC(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)cc1 67257271 VOYNAJGZIDHZCD-UHFFFAOYSA-N 381.476 4.884 0 40 GJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(F)c3)oc12 67295881 RBBAIJSCWZASEN-NMWGTECJSA-N 395.415 4.522 0 40 GJAB O=C(C1CC1)N1CCCCC[C@H]1C1CCN(Cc2c(F)cccc2Cl)CC1 69778979 XVMKAGGQKBKHQW-NRFANRHFSA-N 392.946 4.872 0 40 GJAB Cc1cc2occ(CC(=O)NCc3cc(Br)c[nH]3)c2cc1C(C)C 72306803 ZCEIQGMZANMKDZ-UHFFFAOYSA-N 389.293 4.814 0 40 GJAB CC[C@@H](C)Sc1ccc(NC(=O)NC[C@@H](C)CC2(C)OCCO2)c(C)c1 75094215 RLIJYDRBTPGSJC-GOEBONIOSA-N 380.554 4.796 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)NC[C@@H](C)c3ccccc3)s2)cc1 89635204 AVOGFDHBJBMGMG-OAHLLOKOSA-N 398.557 4.602 0 40 GJAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCc1c[nH]c2ccccc12 96222902 NVCNPDBJNVVPSH-QFIPXVFZSA-N 387.483 4.784 0 40 GJAB biogenic CC(C)c1cccc(N(C)C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)c1 97547411 BIAINUDSWPYXGY-UHFFFAOYSA-N 380.469 4.939 0 40 GJAB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(O)C[C@H](c3ccco3)CC1=N2 102662962 MYTXRCKEAJMNIF-WYRIXSBYSA-N 382.370 4.523 0 40 GJAB Cc1cccc([C@@H]2CC3=Nc4ncnn4[C@H](c4cc(F)cc(F)c4)C3=C(O)C2)c1 102711857 ZVBHQDYEAMGLJX-SPLOXXLWSA-N 392.409 4.930 0 40 GJAB Cc1ccc(Oc2ccc(-c3noc([C@@H]4[C@H]5C[C@@H]6OC(=O)[C@@H]4[C@H]6C5)n3)cc2)cc1 103027213 LCVTXKPVIPUEBE-RBUQIHAASA-N 388.423 4.502 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 113936182 SFOBJNPMOSBCQZ-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB C[C@H]1CCc2nc3sc(C(=O)Nc4cccc5ncccc45)c(N)c3cc2C1 215674013 LOGDSJBOGRMNFX-LBPRGKRZSA-N 388.496 4.804 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 219562579 GDYXLWUDWXSCND-VQTJNVASSA-N 385.504 4.765 0 40 GJAB CC[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(OC)c(OC)c1 222838405 HXQGFVHCTXRNLY-FQEVSTJZSA-N 379.456 4.503 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 222960768 SYIXZNFDIWSPQF-IBGZPJMESA-N 382.504 4.628 0 40 GJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc2ccccc2c1 223615922 ZYRGYFFOSUBKMW-GOSISDBHSA-N 385.463 4.956 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)Oc1cccc2ccccc12 223783169 HLHDEPRHHICORJ-GOSISDBHSA-N 377.484 4.926 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(-c2ccccc2)s1 225330619 QOKOJZCMGCBGTP-INIZCTEOSA-N 387.892 4.963 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C 225460147 OIBCXHOKLMNEDC-UHFFFAOYSA-N 393.814 4.785 0 40 GJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225847649 TYCFWRMVMILQPR-QFIPXVFZSA-N 393.524 4.965 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cn2)C1 257234880 GVLPMAJFXZFLDT-GOSISDBHSA-N 382.460 4.561 0 40 GJAB O=C(O)c1cccc(CN2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)c1 257344302 ZWNJUKBSDQMBBZ-OAQYLSRUSA-N 394.446 4.830 0 40 GJAB O=C1C[C@@H]([C@@H]2CC=CCC2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1 524731882 NPFREZSWVDKTAI-ZBFHGGJFSA-N 388.419 4.915 0 40 GJAB biogenic Cc1cc(O)nc2cc(NC(=O)C[C@@H](c3ccsc3)n3cccc3)ccc12 524735490 FRXZQCARKGZVIS-IBGZPJMESA-N 377.469 4.730 0 40 GJAB CC1(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CCC(F)(F)CC1 528510516 VSAPVVHIYVXCPD-UHFFFAOYSA-N 388.414 4.732 0 40 GJAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccccc1Br 1565524496 OHZQWALETQSRBY-UHFFFAOYSA-N 376.279 4.511 0 40 GJAB C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 1425923 GQLFXGMXSHVQIO-MWTRTKDXSA-N 386.451 4.693 0 40 GJAB CCCCOC(=O)COc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 1769990 UMIDVUOFHCQDKG-UHFFFAOYSA-N 382.412 4.616 0 40 GJAB biogenic Cc1ccc(Cn2ccc(NC(=O)c3noc4c3C[C@@H](C(C)(C)C)CC4)n2)cc1 2465920 HJTZJSLFWAIIOK-KRWDZBQOSA-N 392.503 4.631 0 40 GJAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccc(Cl)cc1 2692785 QFFURKDGUAGUME-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2nccs2)cc1 3243483 DNRDPAHQZJOZCU-VAWYXSNFSA-N 386.480 4.956 0 40 GJAB O=C(CSc1cn(Cc2ccc(F)cc2)c2ccccc12)NC1CCCC1 4060727 ZNCDLBHDPXWBMP-UHFFFAOYSA-N 382.504 4.980 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 4159553 HCSJOFQMPJMONR-UHFFFAOYSA-N 379.843 4.897 0 40 GJAB Cc1ccc(CNC(=O)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 4700254 ZBIBRTPJPRVNQQ-UHFFFAOYSA-N 390.449 4.542 0 40 GJAB COCCN(Cc1cc2cc(C)cc(C)c2nc1Cl)C(=O)c1cccs1 4880916 DAHUEPCWWBUMNF-UHFFFAOYSA-N 388.920 4.855 0 40 GJAB CCCCOc1cccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1 6323586 MCURMIHQVGCKOE-UHFFFAOYSA-N 383.473 4.686 0 40 GJAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(OCc2ccccc2Cl)cc1 7699596 GYSSASCCDBZAFZ-UHFFFAOYSA-N 395.842 4.943 0 40 GJAB CCC(=O)c1ccc(OCC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 8074465 VPEYAGKIWQCHKI-JOCHJYFZSA-N 395.499 4.811 0 40 GJAB Cc1ccsc1CN(C)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 8156153 VVXGTXJZJHLPGO-HXUWFJFHSA-N 391.492 4.783 0 40 GJAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cccc(C)c2C)c1 8476602 AYQFMNUEDBHZJW-UHFFFAOYSA-N 388.515 4.922 0 40 GJAB Cc1cc(C(=O)CN2CCC[C@H]2c2cccn2C)c(C)n1Cc1ccccc1 8879926 VMOJYMVUWRALPF-QHCPKHFHSA-N 375.516 4.512 0 40 GJAB CCOc1cccc2c1N(C(=O)CSc1nccc(C)n1)C(C)(C)C=C2C 9938310 AEJFREFLFUOIRD-UHFFFAOYSA-N 383.517 4.505 0 40 GJAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 11614171 JKUICYOYPYNQOO-VIFPVBQESA-N 376.692 4.787 0 40 GJAB CCN(CC)[C@@H](CNC(=O)COc1cccc(C)c1C)c1ccccc1Cl 11917290 ARPJLBRYEMWPNP-FQEVSTJZSA-N 388.939 4.535 0 40 GJAB CC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCCC2)cs1 12219600 MUEGVYOVIKHDLO-UHFFFAOYSA-N 383.517 4.628 0 40 GJAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(-c2ccccc2Cl)o1 12906616 BYDHTBBJROKRTP-UHFFFAOYSA-N 382.847 4.531 0 40 GJAB CC1(C)Cc2sc3c(=O)n(Cc4c(Cl)cccc4Cl)cnc3c2CO1 13729938 AXEIVNVMCNCZTR-UHFFFAOYSA-N 395.311 4.664 0 40 GJAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 14849309 LJEIAZLVWISXGT-GFCCVEGCSA-N 396.796 4.889 0 40 GJAB c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)c1 15016073 GDHYHXISVVXYFL-HRAATJIYSA-N 376.437 4.719 0 40 GJAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(CN2CCCCC2)cc1 15614095 ZGLOIVWDOOTKRC-UHFFFAOYSA-N 390.449 4.550 0 40 GJAB CCCC(=O)N1CC[C@@](Cc2ccc(-c3ccsc3)cc2)(C(=O)NC(C)C)C1 19501036 YKTWMJLDUUBYFT-QHCPKHFHSA-N 398.572 4.501 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCc2ccccc21 20458261 IQTSEVSJONHWFE-QHCPKHFHSA-N 388.511 4.566 0 40 GJAB CCOc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)C[C@H](C)C3)cc1 20672182 GXOWCBLJPMKULC-CQSZACIVSA-N 379.435 4.919 0 40 GJAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(C(C)C)cc1)SCC(O)=N2 20718639 JLNRQWBHTSWYKB-SFHVURJKSA-N 379.489 4.518 0 40 GJAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCc1ccccc1Cl 22245692 IYBCKCBSCWNLCJ-UHFFFAOYSA-N 375.856 4.918 0 40 GJAB O=C(/C=C/c1ccccc1OC(F)F)N1CCC(c2nc3ccccc3o2)CC1 22322852 JZBKVNXSNYTGLE-MDZDMXLPSA-N 398.409 4.849 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 22523046 NUVFLILMTFJEEM-XQNSMLJCSA-N 383.451 4.631 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccc1 22750099 COTGUHPMGVOYRI-QGZVFWFLSA-N 381.888 4.808 0 40 GJAB Cc1ccc(-c2nc(CC(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)cs2)cc1 27851361 LGUOCGUVDDCKII-CABCVRRESA-N 382.451 4.898 0 40 GJAB COc1ccccc1CNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)o1 27938074 CZFNDRAWUJVLGK-UHFFFAOYSA-N 385.847 4.759 0 40 GJAB O=C(Nc1nc(-c2cccs2)cs1)c1cc(Cl)c2c(c1)OCCO2 32518304 XGXZNHJLDKMZEJ-UHFFFAOYSA-N 378.862 4.549 0 40 GJAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1cc(Cl)ccc1Cl 32930319 CCWQEEANZVLODT-UHFFFAOYSA-N 387.266 4.897 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(=O)c(OCc2ccccc2)co1 36360502 UCOQUWORNZBOMJ-UHFFFAOYSA-N 390.222 4.778 0 40 GJAB CCN(C(=O)c1cc2cc(Cl)ccc2o1)c1ccc(Br)cn1 58158503 QRBNCPXBVLMDHH-UHFFFAOYSA-N 379.641 4.910 0 40 GJAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 59351856 JLYUZKFHTSCMRO-JKSUJKDBSA-N 385.504 4.646 0 40 GJAB CC(C)Oc1ccc(Cl)cc1C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C 68046007 OJGDWMVJZVITJX-MRXNPFEDSA-N 377.872 4.515 0 40 GJAB O=C(Cc1ccccc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72349008 MWKHYVTYFDHQCW-UHFFFAOYSA-N 388.486 4.760 0 40 GJAB COc1ccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)C4CCCC4)C3)c2)cc1 72353933 NAOKXVSSCNFBRL-QFIPXVFZSA-N 392.543 4.886 0 40 GJAB Cc1ccc(Nc2nc3ccccc3o2)cc1S(=O)(=O)Nc1ccccc1F 84190129 MRDZUQZLGXHLJK-UHFFFAOYSA-N 397.431 4.820 0 40 GJAB S=C(Nc1ccccc1)Nc1nnc(CCOc2ccc(Cl)cc2)s1 95116496 AZHFBBFVWQNXID-UHFFFAOYSA-N 390.921 4.622 0 40 GJAB Cc1ccnc(NCc2cccc(C(=O)N[C@@H](C)c3ccccc3Cl)c2)n1 95467400 YQGUVGGIIBXDLK-HNNXBMFYSA-N 380.879 4.542 0 40 GJAB COc1ccc2[nH]c(C(=O)NCCc3nc(-c4ccccc4)cs3)c(C)c2c1 96118634 ULHBBCCLTDXLBP-UHFFFAOYSA-N 391.496 4.581 0 40 GJAB O=C(c1cnc(-c2noc3cc(-c4ccccc4)ccc23)s1)N1CCCC1 96154514 QMTSCNYAAFDSSE-UHFFFAOYSA-N 375.453 4.854 0 40 GJAB CC(=O)N[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118918325 UORSHAGGYHADPG-KSXMLDNHSA-N 387.564 4.632 0 40 GJAB CCCOc1ccccc1CCCNC(=O)COc1ccc2ccccc2c1 222836731 IHTXGEGUPCQIGV-UHFFFAOYSA-N 377.484 4.756 0 40 GJAB COc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccccc1OC 224239669 AOYPTBLVGYLPHF-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)NC1CCCC1 224449271 CEJKNUWUKHZSCG-GOSISDBHSA-N 399.362 4.960 0 40 GJAB O=C(COc1ccccc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 225164470 LFIAATKRXAHWNG-UHFFFAOYSA-N 380.256 4.529 0 40 GJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1 225172515 KOODJUMHMFVSBN-SFHVURJKSA-N 386.495 4.957 0 40 GJAB COc1ccccc1CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225551448 DCVDYDFGKCZTRC-UHFFFAOYSA-N 384.545 4.936 0 40 GJAB CCc1ccccc1N1C[C@@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 408671984 USHJXFZPOKUJSA-QFIPXVFZSA-N 399.490 4.798 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(C)c2)cc1 408696831 CIMXMXDNONLDTF-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CCOC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1 408978467 INVUJCPDZPCNHK-KRWDZBQOSA-N 395.484 4.626 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 409116382 LRAFGADTCKIEPL-CQSZACIVSA-N 390.936 4.740 0 40 GJAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O 409153862 ISCPNCFESCRMOQ-NTIJCTKGSA-N 392.480 4.535 0 40 GJAB O=C(c1cccc(Oc2ccncc2)c1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 561604675 SKBOJQJIXXWFIX-OAQYLSRUSA-N 394.858 4.821 0 40 GJAB CCOc1ccc(NC(=O)NC[C@H](c2csc3ccccc23)N(C)C)cc1 575618766 CIXUYRFRFVIZAA-LJQANCHMSA-N 383.517 4.724 0 40 GJAB CCN(C(=O)c1cccc(Oc2ccc(Cl)cc2)n1)[C@@H]1CCOC(C)(C)C1 585085377 UDHJHAALUZWIRR-MRXNPFEDSA-N 388.895 4.947 0 40 GJAB CCCCc1nnc(NC(=O)c2c(-n3cccc3)sc3c2CCCC3)s1 1543487368 QUJMETBCPHJYQO-UHFFFAOYSA-N 386.546 4.864 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)CC[C@@H]2N1c1ccc(F)cc1 1615158264 LUFIVWAEXSSGID-GCJKJVERSA-N 392.518 4.763 0 40 GJAB O=C(C1CCC(F)(F)CC1)N1CCC[C@@H](Cc2cnc3[nH]ccc3c2)CC1 2037838733 ZCAWXPSOCVKENZ-OAHLLOKOSA-N 375.463 4.560 0 40 GJAB O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 704927 GCLJPKLHDJYKDA-DEOSSOPVSA-N 396.446 4.685 0 40 GJAB Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1C1CCCCC1 797572 FMXOURRDSQXSCA-UHFFFAOYSA-N 398.454 4.612 0 40 GJAB COc1cc2c(cc1NC(=O)CN1CCc3ccccc3C1)oc1ccccc12 948395 GAJYZXWRKKMBDG-UHFFFAOYSA-N 386.451 4.591 0 40 GJAB CCN(CC)C(=O)Oc1ccc2c(=O)c(Oc3ccc(OC)cc3)c(C)oc2c1 2410626 VLTIJWRPGBLGKK-UHFFFAOYSA-N 397.427 4.743 0 40 GJAB biogenic CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(C)cc1 2446303 GFZLMDKBIYMXRJ-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB C[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1Cl 3075067 RBKZRJKCBUPTDC-INIZCTEOSA-N 392.886 4.953 0 40 GJAB CCOC(=O)Cc1csc(NC(=O)c2sc3cc(F)ccc3c2Cl)n1 3209560 NZCLWGMZIRETSV-UHFFFAOYSA-N 398.868 4.508 0 40 GJAB Cc1ccc(C)c(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)c1 3280115 IMOJDBVVPJHOMB-UHFFFAOYSA-N 394.456 4.608 0 40 GJAB O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccccc1Oc1ccccc1 3310345 JNUYGWQBJRHYQE-BUHFOSPRSA-N 391.398 4.813 0 40 GJAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)NCc1ccccc1Cl 3312422 IQPANMRDLBDYID-SOFGYWHQSA-N 398.673 4.520 0 40 GJAB CSc1ccccc1-c1nnc(NC(=O)c2ccc(Br)s2)o1 4585557 KNFDACJKNPTUQT-UHFFFAOYSA-N 396.291 4.535 0 40 GJAB C[C@]1(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1(Cl)Cl 4699535 PPOUGIMQYQPGDR-GOSISDBHSA-N 378.255 4.545 0 40 GJAB Cc1nc(-c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)c(C)c2)no1 4742109 ODWVDSJLGRHAJJ-ZDUSSCGKSA-N 385.851 4.721 0 40 GJAB O=C(CSc1ncc(-c2ccc(Br)cc2)[nH]1)Nc1ccccc1 5130210 QOMVDPQWVNAXCR-UHFFFAOYSA-N 388.290 4.570 0 40 GJAB COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccccc2)cc1O 5576222 SDENPZLARXOFAY-UHFFFAOYSA-N 399.450 4.686 0 40 GJAB biogenic CC[C@@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 5908155 JFIBDCNTUWDVRS-CYBMUJFWSA-N 387.439 4.640 0 40 GJAB biogenic COc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)cc1 6128733 KJKUNZGJAZQRQF-AWEZNQCLSA-N 379.485 4.517 0 40 GJAB CCn1nc(C)c(NC(=S)Nc2ccc(Br)cc2Cl)c1C 6961213 OZEXBNSGRMJQLA-UHFFFAOYSA-N 387.734 4.745 0 40 GJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@@H]2CCCc3ccccc32)s1 7264083 UPJOHXCSAPSRIR-LJQANCHMSA-N 380.488 4.994 0 40 GJAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1C1CC1 7617392 HDJSRNIIUIUSBA-CQSZACIVSA-N 394.500 4.833 0 40 GJAB O=C(NCCCCCc1nc(-c2cccs2)no1)c1cc(Cl)ccc1F 8013734 LCMAWMDRSBRKOT-UHFFFAOYSA-N 393.871 4.733 0 40 GJAB CC(C)[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1cccs1 8157288 FCIQTLCYCURYCO-IBGZPJMESA-N 396.541 4.735 0 40 GJAB Cc1nc2cc(C(=O)OCC(=O)c3ccc(F)cc3)ccc2n1-c1ccccc1 8778854 YHJKRYWYKQWEIT-UHFFFAOYSA-N 388.398 4.513 0 40 GJAB Cc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCCC3)n2)cc1 10213478 RXADASVXUWXKFM-UHFFFAOYSA-N 380.883 4.921 0 40 GJAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(CN2CCCC2)cc1 10335209 ADPNDLPZBXREOS-UHFFFAOYSA-N 393.712 4.951 0 40 GJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccc(Cl)cc1Cl 10410636 UUIRTZXCYMBLCN-UHFFFAOYSA-N 377.275 4.557 0 40 GJAB O=C(CSCc1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 10611877 ZLZBKRDOAYMYEJ-QGZVFWFLSA-N 398.553 4.742 0 40 GJAB O=C(Nc1ccccc1Cl)c1cccc(OCc2cn3ccccc3n2)c1 12580418 CQGDGZCDHYRIPP-UHFFFAOYSA-N 377.831 4.819 0 40 GJAB CCc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)cc1 12780145 PHURLHJBNBCPJB-UHFFFAOYSA-N 385.529 4.591 0 40 GJAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)c(Cl)c1 13003487 INANALCERMNLHE-LLVKDONJSA-N 377.271 4.833 0 40 GJAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2)cc1 13687885 NDSAUGKVUGHHBC-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cn1c(CCN2CCCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 13817229 QBAVDEYYAFFLNM-UHFFFAOYSA-N 396.922 4.507 0 40 GJAB O=C1C[C@@H](c2cc(F)ccc2F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15107231 RXVDCEJQMKEFQJ-ZDUSSCGKSA-N 385.391 4.866 0 40 GJAB COc1ccc(C(=O)N2CCC(c3nc(C)cc(-c4ccsc4)n3)CC2)cc1 19118578 NQWPEXLLIYUJDD-UHFFFAOYSA-N 393.512 4.542 0 40 GJAB CC[C@@H](NC(=O)c1cc(-c2ccncc2)c2cnccc2n1)c1ccc(F)cc1 19500427 PBOPKHNBIHKJIO-HXUWFJFHSA-N 386.430 4.712 0 40 GJAB O=C(OC[C@@H]1CCCO1)c1cccc(COc2cc(Cl)ccc2Cl)c1 19907252 XTMIUOGJLUVNSR-INIZCTEOSA-N 381.255 4.908 0 40 GJAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577839 CDAZUFDWRRGURQ-UHFFFAOYSA-N 386.467 4.866 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2cc(F)c(Cl)cc2Cl)C2CC2)c1 26029671 HNBNINPITQJWEE-UHFFFAOYSA-N 398.261 4.955 0 40 GJAB CCN(C(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1nc2ccccc2s1 26907927 SBHDJUNDJNBTGX-UHFFFAOYSA-N 390.512 4.694 0 40 GJAB Cc1ccc([C@H](CNC(=O)COc2c(C)cccc2C)N2CCCCCC2)cc1 27746832 QJJBDKMXSGMBLI-QHCPKHFHSA-N 394.559 4.724 0 40 GJAB COc1cccc(-c2nc(-c3ccc4c(c3)CCCC(=O)N4)cs2)c1OC 30447000 FNYMNDHNFRRIAV-UHFFFAOYSA-N 380.469 4.769 0 40 GJAB O=C(Nc1ccc2c(c1)CCO2)c1ccccc1C(=O)c1ccc(Cl)cc1 31375385 GITICMDTLUHJLD-UHFFFAOYSA-N 377.827 4.758 0 40 GJAB O=C(Cc1cccs1)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 32610547 OEHAZABFPFJNDO-UHFFFAOYSA-N 379.416 4.785 0 40 GJAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1 32796614 LXLSQMPRMOHNLJ-HNNXBMFYSA-N 394.496 4.842 0 40 GJAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]21C 36372159 HDLRFHJYLSKLMU-GUTZKEAESA-N 376.537 4.545 0 40 GJAB C[C@H](NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1)c1ccncc1 40143173 GQNPXYOWDDQGIF-ZDUSSCGKSA-N 398.260 4.522 0 40 GJAB Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCCCCC4)nc3)cc2c1 48300326 BAMOUYWWRLBOHF-UHFFFAOYSA-N 388.515 4.557 0 40 GJAB O=C(Cc1ccccc1Cl)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 58307454 USSWUBXCGBOCJY-SFHVURJKSA-N 381.863 4.686 0 40 GJAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(C)cc3)ccc21 65322203 QLMGBAPXEHCBFP-UHFFFAOYSA-N 390.531 4.993 0 40 GJAB Cc1cc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1C(C)C 69009214 WVDKATUGYPVZOT-UHFFFAOYSA-N 396.318 4.703 0 40 GJAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(F)c(N2CCCC2=O)c1 69926896 XIPJVPUXYRGSBX-UHFFFAOYSA-N 389.430 4.575 0 40 GJAB O=C(Nc1cccc(-c2ncon2)c1)c1csc(-c2cccc(Cl)c2)n1 72230280 KYQXKICJCPJEGN-UHFFFAOYSA-N 382.832 4.766 0 40 GJAB O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cc(Cl)cc2c1Cl 72329822 KVFHZMPJXVXQLH-UHFFFAOYSA-N 392.185 4.792 0 40 GJAB O=C(c1cccnc1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349093 ATLAGYCKSCLMQZ-GOSISDBHSA-N 377.875 4.817 0 40 GJAB CCOc1cc(C(=O)OC)cc(Br)c1OCc1ccccc1Cl 216832340 GCYWJJCYLPVADD-UHFFFAOYSA-N 399.668 4.867 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N(CC)Cc1nc(-c2cccs2)no1 219373696 UPQOCDPSEIWFHF-INIZCTEOSA-N 399.516 4.621 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 222956672 JYLYZHMMAJFOQV-FCHUYYIVSA-N 390.556 4.953 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)COc2cccc3c2CCCC3)cc1 223316043 CKKZSENSFKHEIO-UHFFFAOYSA-N 381.472 4.540 0 40 GJAB CCOc1cc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)ccc1OC 225339232 GWZKGJGHQXPMLD-UHFFFAOYSA-N 382.287 4.650 0 40 GJAB Cc1cccc(-c2noc(CN(C)C(=O)C3(c4ccccc4)CCCC3)n2)c1 225440261 CISCHDRJVZRWEI-UHFFFAOYSA-N 375.472 4.515 0 40 GJAB CCOC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225679188 UYJAXLSLOJULOU-SFHVURJKSA-N 398.528 4.761 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225721836 SFHHTUGAQAMIOF-QGZVFWFLSA-N 381.501 4.926 0 40 GJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C(=O)OC)c1 225826497 GZBAXWZVITYUOM-NRFANRHFSA-N 379.497 4.576 0 40 GJAB CN1CCC[C@H]2N(Cc3ccc(-c4ccccc4C(=O)O)cc3)CCC[C@@]21C 257310019 UDJPMNYNDXHPGV-VWNXMTODSA-N 378.516 4.501 0 40 GJAB Cc1csc2nc(SCC(=O)Nc3cccc4ccccc34)nc(O)c12 408596042 NDYKFVDRTZLDQV-UHFFFAOYSA-N 381.482 4.589 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1 408705336 CMTYQTHESWCLQI-CYBMUJFWSA-N 384.328 4.810 0 40 GJAB COc1cc(Cl)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC 409140099 CUJJEWQFSNORET-RQZCQDPDSA-N 395.908 4.974 0 40 GJAB Cc1ccc([C@H](N[C@@H](C)C2CC(F)(F)C2)c2cccc(S(C)(=O)=O)c2)cc1 529543334 UEEYYNVNSGMIQA-YWZLYKJASA-N 393.499 4.511 0 40 GJAB CNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(F)c3ccccc23)cc1Cl 578392018 IUBLUJVQKGZTCW-LBPRGKRZSA-N 399.853 4.875 0 40 GJAB COc1ccc(C(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 881259 IACDMCNLXOGPDG-LBPRGKRZSA-N 384.526 4.800 0 40 GJAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc2c(c1)OCCO2 944207 LARCNQCPQRMIGX-UHFFFAOYSA-N 398.846 4.888 0 40 GJAB COc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1 1009558 WVNCUVMCNXRCQB-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccc(CC)cc3)coc2c1 1775073 VNGASMTYXORZTG-HNNXBMFYSA-N 396.439 4.868 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)c(C)c1 1924404 KNIQCKRQLRJGTH-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB CC(=O)Nc1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1 2619555 JEHDDMOOASREDF-UHFFFAOYSA-N 379.485 4.567 0 40 GJAB COc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)[nH]c2c1 2622421 UMNTXDLVBMLWEF-UHFFFAOYSA-N 382.272 4.609 0 40 GJAB C[C@H](Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)c1ccccc1 2719963 DDABPWFSNHAAMG-ZDUSSCGKSA-N 384.501 4.873 0 40 GJAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccc(F)cc1F 3240318 GSCUBCGVOURIBH-UHFFFAOYSA-N 381.787 4.628 0 40 GJAB CC1CCN(C(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 3248498 UPPSZENLEVTNBI-UHFFFAOYSA-N 386.300 4.623 0 40 GJAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccco2)nc2ccccc12 3370652 AAIWBMVDLFMCOS-UHFFFAOYSA-N 397.390 4.902 0 40 GJAB CCCN(C(=O)C(=O)c1c(C)n(C)c2ccccc12)c1ccc(OCC)cc1 4062762 ZECPGEGVMHMJMR-UHFFFAOYSA-N 378.472 4.511 0 40 GJAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 4081898 FWOFSGVAIHDXDD-YNGNSYOXSA-N 391.511 4.603 0 40 GJAB biogenic O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 4887928 QZMAMTKUYJEXDN-XSNACQMZSA-N 392.587 4.905 0 40 GJAB COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccccc2)cc1 4890733 ULXKGIALZJFNSA-UHFFFAOYSA-N 393.512 4.539 0 40 GJAB Cc1cc(C)c2sc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)nc2c1 5182169 XYUSZWGITBFDHL-UHFFFAOYSA-N 391.949 4.590 0 40 GJAB CCN1C(=O)c2cccc3c(NC(=O)CSc4ccc(C)cc4)ccc1c23 5190712 KESFQACBTLXLSY-UHFFFAOYSA-N 376.481 4.859 0 40 GJAB O=C1[C@H]2C=CC=C[C@H]2N=C(SCc2ccc(F)cc2)N1Cc1ccccc1 5682921 STRCWNLEWXDMGA-VQTJNVASSA-N 378.472 4.568 0 40 GJAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCc2ccccc2)cc1 5934885 FJHBZHZZDPOHKQ-QGZVFWFLSA-N 376.456 4.713 0 40 GJAB Cc1nnc2c(Nc3cccc(F)c3)nc3ccc(C(=O)c4ccccc4)cc3n12 6791559 ZZTIFYJTLSTZPA-UHFFFAOYSA-N 397.413 4.700 0 40 GJAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1 6930289 RXDFFCLVDOYWQR-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB Cc1cnc(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cn1 6948896 MJZYGEWGLQPYOS-UHFFFAOYSA-N 384.233 4.592 0 40 GJAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc(Br)cc2)o1 7194971 DDJXSQGJHNKXMJ-JTQLQIEISA-N 393.262 4.764 0 40 GJAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(-c2ccc(Cl)cc2)o1 7602184 FXZDWGNQBIXBBI-UHFFFAOYSA-N 383.864 4.660 0 40 GJAB Cc1nnc(S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)o1 7603670 ZIWUIZACRIZUKE-GDNBJRDFSA-N 390.505 4.896 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7885883 IRGARYDSMLWWIC-HXUWFJFHSA-N 378.863 4.563 0 40 GJAB COC[C@H](C)NC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 9052205 MPPZXXCGJONJSA-HNNXBMFYSA-N 391.496 4.519 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2)CC1 9062785 HKNBKBNKLAOIOV-UHFFFAOYSA-N 377.315 4.522 0 40 GJAB C[C@@H]1C[C@@H]1c1ccc(CN(C)CC(=O)N[C@@H](c2ccccc2)c2cccs2)o1 11502995 OWZMHOVTYYKDAE-ICPLQIHGSA-N 394.540 4.802 0 40 GJAB Cc1ccc(-c2nc(CN3CCN(c4cccc(Cl)c4)CC3)co2)c(C)c1 12527410 JJBZXGVOVUKDNV-UHFFFAOYSA-N 381.907 4.934 0 40 GJAB CCCn1/c(=N/C(=O)Cc2coc3ccc4ccccc4c23)[nH]c2ccccc21 12546248 MOTBEZLGZKWGBR-UHFFFAOYSA-N 383.451 4.949 0 40 GJAB Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 13915965 YWDXBKFVQBMXGN-UHFFFAOYSA-N 384.523 4.851 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 14013350 LKOWKYXEZRTRIB-MRXNPFEDSA-N 387.501 4.518 0 40 GJAB Cc1ccc(OCCCC(=O)NCCSCc2ccc(Cl)cc2)cc1 14398605 OKXAAWCDQCKENJ-UHFFFAOYSA-N 377.937 4.857 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(C2SCCS2)cc1 14688950 WDXBAHFIEDMNEJ-UHFFFAOYSA-N 385.539 4.936 0 40 GJAB CCN(C(=O)CN(C)Cc1cnn(-c2ccccc2)c1)c1cccc2ccccc12 15571294 VZXCNPOBOOBPON-UHFFFAOYSA-N 398.510 4.510 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)OC(c3ccccc3)c3ccccc3)CC2=O)cc1 16292892 FEUYTNKFBWEXJI-NRFANRHFSA-N 385.463 4.681 0 40 GJAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(-n3cccn3)cc2)s1 19217153 KSXOGGLCWYQAKY-UHFFFAOYSA-N 391.544 4.531 0 40 GJAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 20139925 NYBNJENHPKPLRO-UHFFFAOYSA-N 392.194 4.910 0 40 GJAB CCn1cc(C(=O)Nc2c(F)cccc2F)c(=O)c2cc(C(F)(F)F)ccc21 22236798 TZMFWGRNMHLCDN-UHFFFAOYSA-N 396.315 4.571 0 40 GJAB CCn1c(C)c(C)c2cc(C(=O)Nc3ncc(Br)s3)ccc21 27981537 YZCRVPSPZUKJKT-UHFFFAOYSA-N 378.295 4.749 0 40 GJAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(F)c1 32104471 ITAFZHMCNCGWDK-MRXNPFEDSA-N 398.825 4.823 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)Nc2noc(-c3cccc(Cl)c3)n2)cc1 32622726 IVCVVWSTHJCIID-UHFFFAOYSA-N 385.851 4.705 0 40 GJAB Cn1c(SCC(=O)c2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 35684835 WWIFLHWJUIXNBY-UHFFFAOYSA-N 392.505 4.637 0 40 GJAB Cc1noc2ncc(C(=O)Oc3ccc4cc(Br)ccc4c3)cc12 40050977 XIUIPEPASKNVKU-UHFFFAOYSA-N 383.201 4.666 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 40134790 XOZLFYDLXAHMJZ-QFIPXVFZSA-N 383.451 4.907 0 40 GJAB COc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CCCCC3)cc1 45932833 QLYMTRFTAFMSHQ-UHFFFAOYSA-N 396.487 4.767 0 40 GJAB Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2CCc3sccc3C2)n1 48289304 JJRRFZHHYYBJSG-UHFFFAOYSA-N 379.316 4.638 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccc(C(F)(F)F)cc2)c1C 57752610 KRFJQFYTQSGGMY-ZDUSSCGKSA-N 380.410 4.556 0 40 GJAB O=C(CSc1ccc(F)cc1)N(CCc1ccccc1)Cc1ccccn1 61974283 KNWBIWZLWLKJFQ-UHFFFAOYSA-N 380.488 4.584 0 40 GJAB CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72214415 PZFYRXPSSCNJNS-GOSISDBHSA-N 381.476 4.796 0 40 GJAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ccnc(-c2ccccc2)n1 72355872 NWBOYHKDSPARSW-QFIPXVFZSA-N 380.451 4.669 0 40 GJAB COc1ccc(C[S@](=O)Cc2coc(-c3ccccc3Cl)n2)cc1F 83953182 GDYOEBAJPNRAIZ-RUZDIDTESA-N 379.840 4.592 0 40 GJAB CC(C)c1sc(Br)nc1C(=O)Nc1cccc2ncccc12 95479549 ZYUAQRJHZXFNSO-UHFFFAOYSA-N 376.279 4.830 0 40 GJAB CO[C@H]1CCN(c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 96122316 TUMALPRZYLBXQH-HNNXBMFYSA-N 380.275 4.863 0 40 GJAB COc1cccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1OC 210200770 UHGXIDZLPCFIED-XNTDXEJSSA-N 375.833 4.598 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219596595 LWKSYLCDJDSVHD-VQTJNVASSA-N 383.488 4.580 0 40 GJAB Cc1nc(NC(=S)NC2CCCCCC2)c(Br)cc1Cl 224040183 FZFIHXFADVLOTQ-UHFFFAOYSA-N 376.751 4.815 0 40 GJAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 224858716 BBFFMCCYXCJKFC-IRXDYDNUSA-N 387.917 4.679 0 40 GJAB CCOC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1C 224989936 UPMUYNSXIWTFQZ-UHFFFAOYSA-N 375.852 4.621 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225112101 QWQBAKNGPAIIPR-MRXNPFEDSA-N 390.892 4.532 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1 226312009 KJNVECWAIAWZSE-UHFFFAOYSA-N 375.881 4.673 0 40 GJAB Cc1cccnc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257296738 REEPQQYJDFSDGO-KRWDZBQOSA-N 395.890 4.642 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(Br)c(C)c2C)c1 408597131 WSGCLAYULWHJKJ-UHFFFAOYSA-N 377.307 4.501 0 40 GJAB COc1ccc(CN2CCC(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc1F 1889053499 UWUWEDHXUVYDNV-UHFFFAOYSA-N 395.478 4.647 0 40 GJAB O=C(NCc1cccnc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 2120849 RLEQTAMKUNPUND-UHFFFAOYSA-N 396.425 4.847 0 40 GJAB biogenic O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1nc(-c2ccccc2)cs1 3168753 BUDGYRJZOOOZIO-UHFFFAOYSA-N 384.329 4.687 0 40 GJAB COc1cc(C(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OC 3562126 FHZYCSPMXLFQPQ-UHFFFAOYSA-N 384.657 4.680 0 40 GJAB O=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(F)c(F)c1 4937744 LUSVZRVWOMGMJC-FLFQWRMESA-N 397.402 4.776 0 40 GJAB O=C(NCCCCCCCCCCCCNC(=O)c1ccco1)c1ccco1 5514008 HKPRDQHESJGKIG-UHFFFAOYSA-N 388.508 4.933 0 40 GJAB Cc1cccc(-c2noc(CN(C(=O)COc3ccc(Cl)cc3)C(C)C)n2)c1 6736979 YYQOAPMVTCCATB-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)oc1=O)c1ccc(Oc2ccccc2)cc1 6890060 JYTVSWVLCKFIJL-UHFFFAOYSA-N 375.302 4.703 0 40 GJAB Cc1ccc(Nc2nc(NCc3ccccc3Cl)nc3c2cnn3C)cc1 6901077 BLYJSRXCHYBXEZ-UHFFFAOYSA-N 378.867 4.681 0 40 GJAB COc1cccc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1OC 7061432 RAGLKZUMQNLIHM-UHFFFAOYSA-N 399.487 4.746 0 40 GJAB CC[C@@H](C)n1c(S[C@H](C)C(=O)Nc2cccc(F)c2)nc2ccccc2c1=O 7621058 URUKJQVVVLHUSI-ZIAGYGMSSA-N 399.491 4.626 0 40 GJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)C(c1ccccc1)c1ccccc1 7645239 SAXBFXWXBQOFEZ-UHFFFAOYSA-N 387.479 4.638 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CN3CCC[C@H]3c3cccs3)c2)cs1 8073293 YXKGMKPRBAUVIT-SFHVURJKSA-N 383.542 4.956 0 40 GJAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Oc2ccccc2)cc1 8300476 WMZGLBPNDYEISB-CMKODMSKSA-N 379.504 4.721 0 40 GJAB biogenic,in-vitro CCCCNC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 8329218 OUNVWGQYANDNHL-UHFFFAOYSA-N 390.528 4.598 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)NCC3CCCCC3)s2)cc1 8771634 RPCSIJGISGBYNG-UHFFFAOYSA-N 386.521 4.714 0 40 GJAB Cc1ccn2c(NC(=O)c3sc(C)nc3C)c(-c3ccc(F)cc3)nc2c1 9378095 VAWMQWSGXXJWST-UHFFFAOYSA-N 380.448 4.774 0 40 GJAB CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C)cc4Cl)cc3)nn12 9584655 SOOXLXKMKKPZSM-UHFFFAOYSA-N 397.891 4.629 0 40 GJAB O=C(CCc1nc2ccccc2s1)NCCCc1nc2ccccc2s1 11176212 MLRVMAGCKIQQIR-UHFFFAOYSA-N 381.526 4.588 0 40 GJAB COc1cccc(F)c1-c1nc(C(=O)Nc2ccc3cc[nH]c3c2)c(C)s1 11866095 BDBDEYVMGCSXQZ-UHFFFAOYSA-N 381.432 5.000 0 40 GJAB Cc1cc(C)n(CCCNCc2cc(-c3ccccc3)cnc2-c2ccncc2)n1 12222998 JVPHQFJNIANUHY-UHFFFAOYSA-N 397.526 4.804 0 40 GJAB O=C(CCCSc1nc2ccccc2[nH]1)NCc1cccc(C(F)(F)F)c1 12542054 OYECPCCYRDFARL-UHFFFAOYSA-N 393.434 4.770 0 40 GJAB CCOc1ccc2nc(SCc3nc(-c4ccc(CC)cc4)no3)[nH]c2c1 12549775 LWIKPMQDIZFFFV-UHFFFAOYSA-N 380.473 4.866 0 40 GJAB COc1cccc(CN(C)C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1OC 12911087 VXEHUUKHMBDWRJ-OAHLLOKOSA-N 392.499 4.582 0 40 GJAB O=C(CCCOc1ccc(Cl)cc1)NCCSCc1ccccc1F 13649504 SDLCGRYPBAOHSQ-UHFFFAOYSA-N 381.900 4.688 0 40 GJAB COc1ccc(Cl)cc1NS(=O)(=O)Cc1c(Cl)cccc1Cl 13679229 LZVNBOQHHPMJKH-UHFFFAOYSA-N 380.680 4.597 0 40 GJAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)ccc21 14074908 LPZWIEZZDOUSEX-PDIWNELESA-N 389.495 4.936 0 40 GJAB CCOc1ccc(-n2c3c(c(SCc4ccc(F)cc4)nc2=O)CCC3)cc1 15840496 GUARZDVBFKZSFB-UHFFFAOYSA-N 396.487 4.551 0 40 GJAB Cc1ccc(C)c(Cn2c(CNC(=O)c3ccc(F)cc3)nc3ccccc32)c1 16740579 GUAQPCVCPBNHMH-UHFFFAOYSA-N 387.458 4.771 0 40 GJAB O=c1nc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)[nH]c2ccccc12 18222669 WJRCMPORENBCEV-UHFFFAOYSA-N 399.841 4.930 0 40 GJAB O=c1oc2ccc(Cl)cc2n1[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1 19347035 SPSFKXNAMCNMKT-GOSISDBHSA-N 393.874 4.633 0 40 GJAB COc1cc(C)c(CN2CCCC[C@H]2c2n[nH]cc2-c2cc(C)no2)cc1C 19567336 YWOKYJUFDPIKRP-IBGZPJMESA-N 380.492 4.726 0 40 GJAB CCCCc1ccc2[nH]c(C)c(CN3CCN(c4ccccc4)CC3)c(=O)c2c1 19793316 GYLJVGWQWZTJBQ-UHFFFAOYSA-N 389.543 4.501 0 40 GJAB COc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610492 MWKRFWPYCUEDAX-UHFFFAOYSA-N 386.455 4.805 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1OC 21873265 ZEINNQZFIHBTNK-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CSc1ccc2ccccc2n1 22702633 AYGPBKICHOEBRQ-UHFFFAOYSA-N 388.439 4.587 0 40 GJAB Cc1cccc(OCc2nnc(SCc3csc(-c4ccco4)n3)o2)c1 22987658 PLQOCDULQJWUFS-UHFFFAOYSA-N 385.470 4.966 0 40 GJAB CCCCCc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 25805070 LAOKYOVXHJYPCN-OAQYLSRUSA-N 380.488 4.789 0 40 GJAB O=C(Nc1n[nH]c(C(F)(F)F)n1)c1sc2cccc(Cl)c2c1Cl 26251505 WSJLQYWJBARTNY-UHFFFAOYSA-N 381.166 4.597 0 40 GJAB O=C(NC1CCCCCCC1)c1ccccc1OCc1cn2ccccc2n1 29853818 ODHDJRVFMWEEQK-UHFFFAOYSA-N 377.488 4.756 0 40 GJAB COc1cccc(O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 30754183 CNFQHLLFYIZXOP-LJQANCHMSA-N 375.468 4.692 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1Cl 30862692 AXYGKLVBGMMRMK-GOSISDBHSA-N 388.895 4.666 0 40 GJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc2ncsc2c1 33028446 SMRLTTVDGXBIOH-SFHVURJKSA-N 385.920 4.517 0 40 GJAB C[C@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1 33873439 CDGBGSHPXVALFF-INIZCTEOSA-N 382.485 4.572 0 40 GJAB O=C(O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c1 36293984 GIWHXPBIKFOIEO-UHFFFAOYSA-N 387.844 4.506 0 40 GJAB CCc1cc(C(=O)N[C@@H](C)c2ccccc2)c2c(C)nn(Cc3ccccc3)c2n1 36621623 NJJXMKORLZAJRX-KRWDZBQOSA-N 398.510 4.841 0 40 GJAB Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)c1 39750078 BHZUDYIOJPPQCV-UHFFFAOYSA-N 376.422 4.865 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 39751050 IHHIUBAWPTUMSJ-UHFFFAOYSA-N 387.321 4.608 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 44949052 WRXGSVISYRYEON-MRXNPFEDSA-N 382.243 4.576 0 40 GJAB Cc1nc(CSc2ccccc2C(=O)NCC2(c3ccccc3)CCC2)no1 46632637 IGLDENAOPBJDML-UHFFFAOYSA-N 393.512 4.522 0 40 GJAB C[C@]1(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CC1(Cl)Cl 46734053 XWNCZCJFMHJZKE-GOSISDBHSA-N 395.261 4.529 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncnc4ccccc34)cc2)s1 52189732 DQGNXKMMIMYFQH-UHFFFAOYSA-N 397.481 4.593 0 40 GJAB COc1ccc(Cl)cc1C(=O)N(CCc1cccs1)Cc1ccco1 77183942 LSWOXEUBHSGAOZ-UHFFFAOYSA-N 375.877 4.888 0 40 GJAB CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344042 HSEOODXAAGTYPH-NRFANRHFSA-N 382.548 4.644 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(-c2cc3ccccc3o2)cc1 100221594 ZPRFWGVOJIMMSJ-FXSVLNLJSA-N 381.431 4.657 0 40 GJAB CCCNc1c(NC(=O)Nc2cccc(SC)c2)c(=O)oc2ccccc12 101096149 WBQNEPVQYBMJGZ-UHFFFAOYSA-N 383.473 4.981 0 40 GJAB COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc(OC)c1O 102734632 VOMMBYSDQHOTRS-KRWDZBQOSA-N 384.432 4.556 0 40 GJAB Cc1nc(SCC(=O)N2CCC[C@H](C)C2)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 104691279 SRIHYZCAZXCWDZ-HVRBKMHZSA-N 389.609 4.848 0 40 GJAB C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 223201130 VBBYOOAKZSZWEN-GFCCVEGCSA-N 384.328 4.663 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 223620578 POURUJUJJGXTTB-HNNXBMFYSA-N 399.516 4.656 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1Cl 224947478 NKRJYFZBPYOHDB-OALUTQOASA-N 399.903 4.822 0 40 GJAB CCOC(=O)c1cc(Cl)c2[nH]c(-c3cccc(Br)c3)nc2c1 226344316 UUVRYHJPIWCPTP-UHFFFAOYSA-N 379.641 4.823 0 40 GJAB CC(C)c1ccc(O)c(C(=O)NCc2cccc(CN3CCCCCC3)c2)c1 257289570 PZGARMJDTGFQAF-UHFFFAOYSA-N 380.532 4.822 0 40 GJAB S=C(c1ccccc1OCc1ccc(Cl)c(Cl)c1)N1CCOCC1 408574348 LYKJOENYRBEEDV-UHFFFAOYSA-N 382.312 4.580 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)c1 408700083 YSLPNYDCXMUBLJ-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB Cc1c(-c2nnc(SCCOc3ccccc3)s2)sc(=S)n1C 524735591 MDSSOASQPFRFOZ-UHFFFAOYSA-N 381.573 4.814 0 40 GJAB Fc1ccccc1Oc1ccc(-c2noc(CCc3cccnc3)n2)cc1F 545757044 GWQCBGDWFWBFEQ-UHFFFAOYSA-N 379.366 4.987 0 40 GJAB Cn1cc([C@@H]2CN(C(=O)c3cc4cc(F)ccc4s3)Cc3ccccc32)cn1 585410198 XLRLEFYVHFFWJR-IBGZPJMESA-N 391.471 4.562 0 40 GJAB COc1cnc(C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)c(F)c1 1126102977 WNXMTPXWSVDOKG-UHFFFAOYSA-N 389.386 4.822 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CCCC4)cc1 853648 SSQAYKACMAIZSZ-CYBMUJFWSA-N 383.542 4.998 0 40 GJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)Nc3ccc(F)cc3)n12 929682 XMSPCDKDRWYTHH-UHFFFAOYSA-N 394.475 4.678 0 40 GJAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3cc4ccccc4o3)coc2c1 939016 NBOBCRQLUIFNQV-ZDUSSCGKSA-N 378.380 4.537 0 40 GJAB biogenic O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1F 1223161 QGWVYFYUVDPQJB-UHFFFAOYSA-N 393.237 4.613 0 40 GJAB COc1ccc(-c2nnc(N(CC(C)C)C(=O)c3ccccc3F)s2)cc1 1356530 GEHVDBQTYGZJLL-UHFFFAOYSA-N 385.464 4.656 0 40 GJAB CCCCOc1ccc(C(=O)Nc2nnc(-c3ccccc3OC)s2)cc1 2148756 DMDSDBMHGDXBJI-UHFFFAOYSA-N 383.473 4.645 0 40 GJAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)cc1 2333822 JTDZXPJRLNUISW-OAQYLSRUSA-N 382.419 4.555 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)NCCc1c[nH]c2ccc(Cl)cc12 2365195 IGFDAXZZMFVXPP-UHFFFAOYSA-N 397.689 4.866 0 40 GJAB CCCCOCCCn1c(-c2ccccc2F)nc2nc3ccccc3nc21 2426132 GXUCFDRIRRMFSR-UHFFFAOYSA-N 378.451 4.992 0 40 GJAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c1 2650404 FLIHHQVYYROXQK-UHFFFAOYSA-N 390.411 4.930 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(Cc1ccccc1)C3=O 2704568 OIVGJMZZAVHJSY-QFIPXVFZSA-N 397.430 4.552 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C 3355597 ADBRGUXYTSWZKZ-ZDUSSCGKSA-N 394.475 4.774 0 40 GJAB FC(F)Oc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1 4134959 DNRASMQDJCNSKT-UHFFFAOYSA-N 376.472 4.940 0 40 GJAB CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 4283596 QYNXBOURKPKWIA-XSXQVXRUSA-N 389.923 4.643 0 40 GJAB O=C(NCCc1nc2ccccc2n1Cc1ccccc1Cl)C1CCCCC1 4384989 OLOKYXBOEPPJPB-UHFFFAOYSA-N 395.934 4.977 0 40 GJAB O=C(COc1ccccc1)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 4660045 HMQAUYMPPVDVQF-UHFFFAOYSA-N 398.821 4.749 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2C(C)C)c(C)c1 4736134 NXFLIMAEDMYENO-UHFFFAOYSA-N 384.505 4.775 0 40 GJAB C[C@H]1C[C@H](C)CN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCCC3)C1 4980638 PQWHZHVYVLVXAX-HOTGVXAUSA-N 378.495 4.897 0 40 GJAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(OC)c2)c1 5157737 ACOVWVRQYXXCPT-UPVQGACJSA-N 386.451 4.946 0 40 GJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 5539567 RVRPFJDPPVKFOB-UHFFFAOYSA-N 381.472 4.810 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 6128554 PUXTWGKXUOGIQH-UHFFFAOYSA-N 388.496 4.909 0 40 GJAB CCOc1ccc([C@](O)(CCN2CC3CCC(CC3)C2)c2ccccc2)cc1 6411294 YWXPOUZKRCMZLE-BAWHURIHSA-N 379.544 4.833 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)OCCO2 6553705 QACIUAUHVRNTJV-UHFFFAOYSA-N 381.350 4.518 0 40 GJAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(F)c(F)c3)cs2)cc1 7986454 PYICUXNHOIBWHY-LBPRGKRZSA-N 388.439 4.517 0 40 GJAB CCOc1cccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 8159012 XNLUPYXUACWMFW-KRWDZBQOSA-N 388.467 4.829 0 40 GJAB Cc1cccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(C)s3)cc2)c1 8328729 ICQODDWXWJHPSJ-UHFFFAOYSA-N 380.469 4.526 0 40 GJAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ncnc3ccccc23)cc1 8527414 JSHBVUKTZDMBJW-CQSZACIVSA-N 379.485 4.588 0 40 GJAB c1ccc2/c(=N/c3ccc4c(c3)OCO4)cc(-c3ccc4c(c3)OCCO4)oc2c1 9341515 LJVKBMTYWWAJDV-XIEYBQDHSA-N 399.402 4.832 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc3oc(C)nc3c2)c(Br)c1 12755003 LXLKHZBZKSLXGQ-NSHDSACASA-N 388.265 4.646 0 40 GJAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCc1ccccc1F 12769030 YAGCQSJJAWWWGA-UHFFFAOYSA-N 394.393 4.827 0 40 GJAB COc1ccc([C@H]2CCCN2Cn2nc(-c3ccc(C)cc3)[nH]c2=S)cc1 12812449 QEUSMZXUBISLPZ-LJQANCHMSA-N 380.517 4.719 0 40 GJAB C[C@H]1[C@H](C)CCCN1C(=O)Nc1cccc(NC(=O)N2CCC[C@@H](C)[C@H]2C)c1 13116510 SMTHNRGBDWWTEJ-TVFCKZIOSA-N 386.540 4.991 0 40 GJAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)Nc4cccs4)c3)cn2n1 13711576 NWVISGQWOZZNBS-UHFFFAOYSA-N 399.863 4.764 0 40 GJAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccco2)c1C 13787220 SYHOFNPYROIPRK-UHFFFAOYSA-N 386.451 4.893 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 14830969 LEGQVJLMXQBIOF-UHFFFAOYSA-N 397.434 4.726 0 40 GJAB CC[C@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)c1ccccc1 15596007 OWCKUMAGCYCVHP-OAHLLOKOSA-N 385.870 4.897 0 40 GJAB Cc1c(C(=O)N2CCC(Cc3ccccc3)CC2)oc2c1C(=O)CC(C)(C)C2 16806024 INZHSDIMUCKDCD-UHFFFAOYSA-N 379.500 4.838 0 40 GJAB COc1cc(OC)cc(-c2cc3nc(C)c(C)c(N4C[C@@H](C)C[C@@H](C)C4)n3n2)c1 18060187 OKTBNPCULPRGGP-GASCZTMLSA-N 394.519 4.513 0 40 GJAB COc1ccc(CN(Cc2cccnc2)C(=O)c2cc3cc(C)ccc3o2)cc1 19221253 LYDDJKZNNWVBCY-UHFFFAOYSA-N 386.451 4.987 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 20458030 HQTHMSUAHQWTTJ-SFHVURJKSA-N 390.936 4.989 0 40 GJAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccc2ccccc12 20610375 ZIIPACIZJDQVED-UHFFFAOYSA-N 382.398 4.965 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3F)n2)c(OC)c1 21589616 VSVPQRIDAJQRTJ-UHFFFAOYSA-N 392.839 4.872 0 40 GJAB Cc1csc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)n1 22753341 TXOOXCJHCJMWLU-UHFFFAOYSA-N 384.848 4.803 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 23011381 DFIPDPWBHHWPAP-UHFFFAOYSA-N 389.455 4.911 0 40 GJAB Cc1nnc(COC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)o1 23433640 FDFLGUFNHNCMFH-UHFFFAOYSA-N 380.444 4.612 0 40 GJAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC(F)F 24836317 SONRVEWMODQISX-VIFPVBQESA-N 388.773 4.528 0 40 GJAB O=C(Nc1cnn(Cc2ccccc2F)c1)C(c1ccccc1)c1ccccc1 28303641 ZZUFSYAIGYQTJH-UHFFFAOYSA-N 385.442 4.841 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 33737758 SKYHGCQFXMLCPD-UHFFFAOYSA-N 388.895 4.666 0 40 GJAB Cc1cc(C)c(N[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1 36635901 ZEJLIIASLQATND-INIZCTEOSA-N 377.271 4.663 0 40 GJAB O=C(NCc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832775 MCRZYBZCQSGTFA-QGZVFWFLSA-N 377.315 4.522 0 40 GJAB CC(C)CCC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 40128467 NKOFFCVEHLYOJV-GOSISDBHSA-N 387.545 4.605 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3cccc(NC(=O)NC(C)C)c3)c2)oc1C 40155322 OJFJQXOXZCKCEE-UHFFFAOYSA-N 392.459 4.741 0 40 GJAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(SCc2cccnc2)cc1 47189279 TWHCPDGOMUETSK-DYESRHJHSA-N 384.545 4.699 0 40 GJAB COc1cccc2cc(C(=O)NCc3ccc([C@@H](O)c4cccs4)s3)oc12 90613628 JVTYHIDBFZYZNI-SFHVURJKSA-N 399.493 4.576 0 40 GJAB Cn1cc(NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)ccc1=O 95369244 AHABZGYWZLKKIB-UHFFFAOYSA-N 395.528 4.517 0 40 GJAB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1cnc(C2CC2)s1 95948371 WLPACAYBLYHPDL-UHFFFAOYSA-N 398.875 4.574 0 40 GJAB CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@@H](C(C)C)C[C@H]12 96903423 GCAXPYWXIWWHHT-UVJWIIJLSA-N 386.488 4.852 0 40 GJAB endogenous,in-man Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)c1ccccc1OC(F)F 97001791 YDJARIAYSLLPDM-UHFFFAOYSA-N 383.398 4.912 0 40 GJAB COc1cc(Cl)c(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1OC 102672184 IEAHODQKFYPFHJ-TYGXQLQZSA-N 384.303 4.874 0 40 GJAB Oc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccnc2)c1 102829009 QXPFBEUXAKNZHZ-FPOVZHCZSA-N 377.831 4.683 0 40 GJAB Cn1c(Cl)cnc1COC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 104417665 FVHAPPNJIPZENL-KILAXVPQSA-N 384.907 4.655 0 40 GJAB Cc1c(C(=O)N2CCS[C@@H](c3cccs3)CC2)cnn1-c1ccccc1 219469093 LTPXKKBVPCGMKP-LJQANCHMSA-N 383.542 4.563 0 40 GJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(F)c3)N21 222706658 ODIOEDGEFABIEH-ZLGUVYLKSA-N 392.503 4.991 0 40 GJAB O=C(NCC1=CCCCC1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224542170 DXDCKGLYRVJPDK-UHFFFAOYSA-N 381.347 4.822 0 40 GJAB O=C(CCSc1ccc(Cl)cc1)NCc1cccc(CN2CCCC2)c1 224591554 UPPLHWQNDIRTRX-UHFFFAOYSA-N 388.964 4.734 0 40 GJAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Br)cc1 224724920 GTEGZALXPQXRGD-UHFFFAOYSA-N 382.323 4.788 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053562 LKAQZRVHOYLGRO-IBGZPJMESA-N 392.480 4.549 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 225526444 CNOJJRJQHUQANC-OFNKIYASSA-N 394.559 4.568 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225659307 LSGNARPKXRAYDB-INIZCTEOSA-N 382.504 4.908 0 40 GJAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccc(OCc2ccccc2)cc1 225745514 WTFSMGWDJATGMX-UHFFFAOYSA-N 398.462 4.528 0 40 GJAB CCOc1ccc(NC(=S)NCCCSc2ccc(OC)cc2)cc1 225802608 QKJUGKBERMDOSD-UHFFFAOYSA-N 376.547 4.563 0 40 GJAB COCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cn1 225870088 RSCMRGZLNBTEID-UHFFFAOYSA-N 388.895 4.601 0 40 GJAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2Cl)CC1 244300727 WXQIOWVZWNBDNF-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@H]32)C1 257345225 BQIBBYLXJDSLIR-BLACJIEISA-N 376.537 4.893 0 40 GJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260812541 FXFJOGWUNABMSE-CVDCTZTESA-N 390.568 4.721 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)cc2)C1 260922451 GSWWDFXTXDVUCL-RBUKOAKNSA-N 376.544 4.898 0 40 GJAB COc1cccc(Oc2ccc(NC(=S)NCCCc3ccccc3)cn2)c1 408585875 KHGNBIBBSAJPLH-UHFFFAOYSA-N 393.512 4.802 0 40 GJAB O=C(NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(-c2ccco2)s1 1138233924 PTQOXTDSOOFCEW-IRLDBZIGSA-N 399.487 4.651 0 40 GJAB COC(=O)c1ccccc1Nc1cc(CC(=O)OC(C)(C)C)ccc1Cl 1857793620 FXLDDZDVEBKELX-UHFFFAOYSA-N 375.852 4.754 0 40 GJAB Cc1cc(C)cc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C(=O)O)c1 799527 RFWOUCYBEZXBDI-KDOFPFPSSA-N 393.405 4.840 0 40 GJAB CC[C@@H](COC(=O)Nc1ccc(C)cc1)N1C(=O)CS[C@H]1c1ccc(C)cc1 850771 GUUVHEDKCOVWEZ-FPOVZHCZSA-N 398.528 4.905 0 40 GJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(OC)c(OC)c1 949067 MSGARPVVCYTSLR-UHFFFAOYSA-N 380.444 4.789 0 40 GJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc(Cl)c3)c2c1 952866 TXECHOIOLQUTQN-UHFFFAOYSA-N 398.846 4.985 0 40 GJAB O=C(NC/C(Br)=C/Br)Nc1cccc2ccccc12 1697814 FQKRWHAWNPZLEJ-FLIBITNWSA-N 384.071 4.593 0 40 GJAB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)Nc1ccc(F)cc1 2625336 BQHYEYCQFASLEN-UHFFFAOYSA-N 397.406 4.654 0 40 GJAB O=[N+]([O-])c1cc(/C=C2/SC(=S)N=C2O)ccc1Oc1ccc(F)cc1 2631195 IOQXKEUHRAJUEP-RIYZIHGNSA-N 376.390 4.855 0 40 GJAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1nc2ccccc2s1 4167301 WJCGEBMQWCWZBW-UHFFFAOYSA-N 384.511 4.546 0 40 GJAB Oc1ccccc1-c1nc2ccc(Cl)cn2c1Nc1ccc2c(c1)OCCO2 4733700 ZTMHSRUWXGKVHO-UHFFFAOYSA-N 393.830 4.875 0 40 GJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1ccc(OC)cc1 4849343 VFNKQJOWFYSXSS-UHFFFAOYSA-N 382.485 4.545 0 40 GJAB CCc1nnc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2CC)s1 4849422 VBCNQRCMPYEVNP-UHFFFAOYSA-N 386.546 4.559 0 40 GJAB CNC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCC2 5055735 JVXISRCWARYMIL-UHFFFAOYSA-N 392.480 4.641 0 40 GJAB CC(C)c1ccc(NC(=O)COc2ncnc3sc4c(c23)CCCC4)cc1 5860753 GXTFSGOQIOYLNL-UHFFFAOYSA-N 381.501 4.711 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1 6097161 OOOUIHIUGIQWFP-FQEVSTJZSA-N 392.528 4.785 0 40 GJAB Cc1ccc(C)c(Cn2c(CCCNC(=O)c3ccco3)nc3ccccc32)c1 6753064 UFROVQFLPYUQKF-UHFFFAOYSA-N 387.483 4.657 0 40 GJAB Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c2ccccc2n1 6993899 ZZYMQTYWDLERTE-UHFFFAOYSA-N 389.436 4.648 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](C)Sc1cc(-c2ccccc2)nc(C)n1 8654845 OWYYDFYVLHIQHE-HNNXBMFYSA-N 393.512 4.970 0 40 GJAB CCn1c(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)nc2ccccc21 10651774 IXVJZTJIGKSMOO-UHFFFAOYSA-N 390.491 4.758 0 40 GJAB CC(C)[C@H](NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1)c1cccs1 11223702 KAANKWNMPBJJOS-SFHVURJKSA-N 384.467 4.712 0 40 GJAB CC(C)N(C(=O)CSc1nncs1)c1ccc(Nc2ccccc2)cc1 12522900 JZOVAKRAQYEOKA-UHFFFAOYSA-N 384.530 4.815 0 40 GJAB Cc1ccc(-c2csc3ncn(Cc4ccc5c(c4)OCO5)c(=O)c23)cc1C 12587329 YCUUBVAFDOIXIR-UHFFFAOYSA-N 390.464 4.519 0 40 GJAB Cc1ccc(C)c(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1 12762866 BFZYYVQJANPNGZ-QHCPKHFHSA-N 376.525 4.951 0 40 GJAB O=C(NC1CCCC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 12782028 AIGNEJBQFTXWGF-UHFFFAOYSA-N 391.315 4.582 0 40 GJAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 12902212 ZIXBKPQLKIAYNQ-IRXDYDNUSA-N 394.490 4.685 0 40 GJAB CC(C)n1ncc2cc(C(=O)N(Cc3ccco3)Cc3cccs3)cnc21 12910967 JJCMQIBFZAJLKA-UHFFFAOYSA-N 380.473 4.509 0 40 GJAB COc1cccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1 12979878 NSNHSEWSKFWOCD-UHFFFAOYSA-N 388.876 4.945 0 40 GJAB C[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2cccc(Cl)c2)CC1 13709258 XXIRXSUKVPQKHI-KRWDZBQOSA-N 394.902 4.609 0 40 GJAB CC(=O)Nc1cccc(Oc2nc(CN3CCCC3)nc3sc(C)c(C)c23)c1 14142342 UHRAMRKUHFFLGS-UHFFFAOYSA-N 396.516 4.655 0 40 GJAB CCCc1ncc(CN[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccc(OC)c(OC)c2)cn1 19525787 HJGQSRSVIWCOGO-PLWWPAAYSA-N 395.547 4.508 0 40 GJAB c1ccc(-c2nc(Sc3nc(-c4ccncc4)n[nH]3)nc3ccccc23)cc1 25062912 NLMQWUZSSDJSAB-UHFFFAOYSA-N 382.452 4.628 0 40 GJAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)Nc1ccc(F)cc1F 28305919 HPSNFGWJUCQXFY-UHFFFAOYSA-N 380.757 4.646 0 40 GJAB Cc1cc(NC(=O)[C@H](C)SCc2coc(-c3ccc(Cl)cc3)n2)no1 31423924 JWEXADVOSQOKAG-NSHDSACASA-N 377.853 4.552 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2ccccc2)c1[C@@H]1C(=O)Nc2c(Cl)cccc21 32104549 OXKBSVQMEQWGBG-MRXNPFEDSA-N 380.831 4.514 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 32610142 GSDPNBNEROOKQT-RYUDHWBXSA-N 398.286 4.655 0 40 GJAB CC1CCN([C@H](CNC(=O)c2ccc3ncsc3c2)c2cccs2)CC1 33028221 LEBGCWJYMZCJOJ-QGZVFWFLSA-N 385.558 4.561 0 40 GJAB Cc1ccccc1NC(=O)Nc1nc(SCCOc2ccccc2)ns1 35314228 NBKSQLPACVSLTJ-UHFFFAOYSA-N 386.502 4.662 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38860391 OXPWPZHWLXTOPB-HNNXBMFYSA-N 380.385 4.695 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]32)C1 39252946 BQIBBYLXJDSLIR-CGDAUVCTSA-N 376.537 4.893 0 40 GJAB O=C(COCc1nc2ccccc2s1)Nc1nc(-c2cccs2)cs1 39980478 ZRMABSQPYYUXKR-UHFFFAOYSA-N 387.511 4.637 0 40 GJAB COc1ccc(OCc2cc(C(=O)N[C@H](C)c3ccccc3OC)c(C)o2)cc1 40159557 HKBAIEJKUDTGOH-OAHLLOKOSA-N 395.455 4.675 0 40 GJAB CC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C 44047226 FPRSUTFWFSLLMH-MRXNPFEDSA-N 392.459 4.506 0 40 GJAB Cc1cccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 44909618 FMOFPIKYUKKZSJ-OAQYLSRUSA-N 384.951 4.609 0 40 GJAB C[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(F)cc1 44934202 HCCOJDPBBZNPGW-CQSZACIVSA-N 392.877 4.708 0 40 GJAB O=C(c1cc(F)ccc1F)C1CCN(Cc2cc(-c3ccccc3)no2)CC1 47797340 SHJHRPGWBLFZKU-UHFFFAOYSA-N 382.410 4.715 0 40 GJAB O=C(Cc1csc(Nc2ccccn2)n1)Nc1ccc(F)c(C(F)(F)F)c1 49029550 GQOQPDGFKKZZHD-UHFFFAOYSA-N 396.369 4.621 0 40 GJAB Cc1noc(C2CCN(C(=O)Cc3coc4cc(C)c(C(C)C)cc34)CC2)n1 54663949 ROPRITDRPFGNPG-UHFFFAOYSA-N 381.476 4.505 0 40 GJAB CCOC(=O)c1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 71760842 OZTOSMFUSKHBNC-UHFFFAOYSA-N 384.379 4.571 0 40 GJAB Cc1ocnc1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 95442148 JEXFYSBCPHCKGY-UHFFFAOYSA-N 383.864 4.571 0 40 GJAB CO[C@@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(C)s1 96104895 ZZBWGZKMQQPYKQ-IBGZPJMESA-N 380.513 4.833 0 40 GJAB COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@H](C2)[C@@H]1[C@H](C)CC(=O)C3 100393767 HLKCYOOWMVLNED-MUEOZRDHSA-N 391.511 4.601 0 40 GJAB biogenic,in-vitro Cc1c(CO)c2ccccc2n1C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 216891620 MADCTBMAWSOFNE-GFCCVEGCSA-N 378.255 4.857 0 40 GJAB COc1cc(C)c([C@@H](C)NC(=O)CCc2ccc3c(c2)OCCO3)cc1C(C)C 223369014 YECSAMSRMFNZCY-QGZVFWFLSA-N 397.515 4.708 0 40 GJAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)s1 224597729 WOZZDUXHYVXFJC-HNNXBMFYSA-N 387.530 4.990 0 40 GJAB COc1cccc(-c2cnc(-c3ccccc3C(=O)N3CCC(C)CC3)o2)c1 224902522 NWVKDQXUYMAFBI-UHFFFAOYSA-N 376.456 4.889 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C(C)C 225012895 FLHFNZYJZFRAHN-SFTDATJTSA-N 382.577 4.996 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)c1snnc1-c1ccc(F)cc1 225777355 FNYAVQOMUIFZBT-UHFFFAOYSA-N 382.247 4.581 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCC2CCC2)[C@H]1c1cccs1 257173748 WCQHAQGXBPETAL-NHCUHLMSSA-N 396.556 4.601 0 40 GJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cc(Cl)c(O)c(Cl)c2)S1 260763066 IIDLYSWGSXLJGU-DFKRKDTASA-N 380.300 4.683 0 40 GJAB O=C(c1ccccc1Cl)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 524605788 UVCGKMMDNAOYQP-INIZCTEOSA-N 388.653 5.000 0 40 GJAB COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccsc1)c1ccco1 618256562 JOXSQIGMPYBOAN-CQSZACIVSA-N 376.865 4.957 0 40 GJAB O=C1C[C@H](CSc2nnc(-c3ccccc3)o2)CN1Cc1ccc(Cl)cc1 2087071605 IFJATPKEDNKYDY-HNNXBMFYSA-N 399.903 4.531 0 40 GJAB CCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 664048 RBIAJAHXHOYAEX-KBPBESRZSA-N 392.956 4.500 0 40 GJAB COc1ccc(-c2csc3nc(-c4ccc(F)cc4)oc(=O)c23)cc1OC 798306 FVKJDDKQHSEXNF-UHFFFAOYSA-N 383.400 4.740 0 40 GJAB O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CCCCCC1 865743 JVXSJKRVJYVZSO-SWLSCSKDSA-N 398.454 4.621 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3 1240556 LTAQQOFWFGHLAW-UHFFFAOYSA-N 385.876 4.612 0 40 GJAB CCOc1ccc2nc(Cl)c(CN(Cc3ccc(OC)cc3)C(C)=O)cc2c1 1367860 GVXQXVUTHYKEGR-UHFFFAOYSA-N 398.890 4.844 0 40 GJAB Cc1ccc(CSc2nc3c(c(N4C[C@@H](C)O[C@H](C)C4)n2)CCCC3)cc1 1393955 VCOQOZTTXTZUBV-IAGOWNOFSA-N 383.561 4.570 0 40 GJAB CC(C)(C)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 1568050 JOVARRUCCRAWIH-LBPRGKRZSA-N 380.332 4.694 0 40 GJAB Oc1cc(Br)c2cc(Br)ccc2c1Br 1700225 FUMAGZVADXOQSQ-UHFFFAOYSA-N 380.861 4.833 0 40 GJAB CCc1ccc2oc(-c3ccco3)c(OCC(=O)Nc3ccccc3)c(=O)c2c1 1987856 HNLJMDRIGQXSKG-UHFFFAOYSA-N 389.407 4.633 0 40 GJAB Cc1ccc(-n2c(SCc3cccc(C)c3)nc3c(c2=O)SCC3)cc1 2719781 RQPRMTMWGWYROO-UHFFFAOYSA-N 380.538 4.790 0 40 GJAB Cc1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)cc1Cl 2723646 FGGXKGJQYMCDBO-UHFFFAOYSA-N 375.856 4.704 0 40 GJAB CCOc1ccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)cc1 2723664 ZSIIVQRCQBKEMT-UHFFFAOYSA-N 387.892 4.655 0 40 GJAB O=C(Nc1cccc(NC(=O)c2ccccc2Cl)n1)c1ccccc1Cl 2747386 UTDQZFJWMYRHGM-UHFFFAOYSA-N 386.238 4.893 0 40 GJAB C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1Cl 3075068 RBKZRJKCBUPTDC-MRXNPFEDSA-N 392.886 4.953 0 40 GJAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 3256219 QBYYIINLXCRZSB-MRVPVSSYSA-N 384.244 4.756 0 40 GJAB CN(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1cccc(Cl)c1Cl 3423734 MGGPRDPJTUOBNW-GOSISDBHSA-N 377.315 4.619 0 40 GJAB O=C(Nc1ccccc1)c1ccccc1OCc1nnc(-c2cccs2)o1 3503779 BROYFATXPGVDDI-UHFFFAOYSA-N 377.425 4.629 0 40 GJAB CC(=O)c1ccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc1 4885452 XDSWOBFIAOWBKM-UHFFFAOYSA-N 397.906 4.768 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)c1 4926675 CWNVLCDEAAUFOH-UHFFFAOYSA-N 375.453 4.929 0 40 GJAB Cc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccc(F)cc3c2=O)cc1 4936916 FZVUAIRNHLIVAE-UHFFFAOYSA-N 389.401 4.867 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 5024223 XCDXKNDGAJAXEA-XHVUQVIVSA-N 387.401 4.888 0 40 GJAB Cc1cc(C)c(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)n[nH]2)c(O)c1 5343112 FECOJARYDNIAFG-UHFFFAOYSA-N 375.350 4.670 0 40 GJAB COc1cccc(-c2c(NC(=O)c3ccc(F)cc3)oc3ccccc3c2=O)c1 5345364 HWHZVNLEGLZXBK-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2c2ccccc2)cc1 5451124 VBYGJSLDLSZXQR-DEOSSOPVSA-N 384.479 4.733 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)Cc2c(F)cccc2Cl)cc1OCC 5510620 VACCGJCRGIHCCL-ZDUSSCGKSA-N 379.859 4.696 0 40 GJAB O=C(Nc1ccc(F)cc1F)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1 5569541 LDWDXRUCRRWAAQ-UHFFFAOYSA-N 388.320 4.748 0 40 GJAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)cc1 6128735 KJKUNZGJAZQRQF-CQSZACIVSA-N 379.485 4.517 0 40 GJAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(F)cc1F 6549979 VNNWUZZIOGMPJX-UHFFFAOYSA-N 393.817 4.612 0 40 GJAB CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 6720219 FUPBFMYZFGXFPG-UHFFFAOYSA-N 386.455 4.770 0 40 GJAB CSc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 7399122 HADOSPJZJHNCQC-UHFFFAOYSA-N 378.501 4.646 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 8497630 LJNYCQSKRALFTK-LJQANCHMSA-N 388.895 4.522 0 40 GJAB CCn1c(SCCCOc2ccc(C(=O)O)cc2)nnc1-c1ccc(C)cc1 8731813 KQBMAYDADYMIRI-UHFFFAOYSA-N 397.500 4.533 0 40 GJAB Cc1ccc2[nH]c(S[C@H](C(=O)Nc3nccs3)c3ccccc3)nc2c1 8813098 WMBAVLYNIYGYFU-INIZCTEOSA-N 380.498 4.800 0 40 GJAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9865543 IBOAYLZZZGANML-OAQYLSRUSA-N 390.483 4.626 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 10303520 XCDKRWLYGFIIGT-VQTJNVASSA-N 393.918 4.622 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)n(C[C@H]2CCCO2)c1C 12553001 HLNNMTOJOPSXPO-WMLDXEAASA-N 378.925 4.696 0 40 GJAB Cc1c(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)oc2ccc(Cl)cc12 12602863 MISIBCWJEVLHJG-GOSISDBHSA-N 397.837 4.787 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)C(C)(C)Oc3ccc(F)cc3)s2)cs1 12900510 MEFLWLUTFOAUEU-UHFFFAOYSA-N 390.505 4.793 0 40 GJAB O=C(CCc1ccsc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 12937462 XJHVYSZEEKWDEN-UHFFFAOYSA-N 387.508 4.850 0 40 GJAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1OC 12984515 QAODIAIBWUKXDC-JICACKBISA-N 394.496 4.690 0 40 GJAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1c(Cl)cccc1Cl 15227933 NGCXWPOAOHCGSB-UHFFFAOYSA-N 385.301 4.571 0 40 GJAB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)cc1 16440215 MLRGXICEWZFMKF-XNTDXEJSSA-N 389.274 4.540 0 40 GJAB O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 19346889 SVCRCQPMKISYMP-HNNXBMFYSA-N 388.298 4.818 0 40 GJAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(Cc3ccnn3C)CC2)n1 19691849 QSYONZQWHAVESG-UHFFFAOYSA-N 394.950 4.747 0 40 GJAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 25280096 MSSYZOPYKZGNKK-LBPRGKRZSA-N 397.500 4.704 0 40 GJAB CCCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 27664531 GPUPOZSIKOKYEB-NRFANRHFSA-N 386.923 4.696 0 40 GJAB Cc1ccc2nc(NC(=O)c3ccc(Cn4cc(Cl)cn4)cc3)sc2c1 27969689 BKHAIEJOTBKVKF-UHFFFAOYSA-N 382.876 4.755 0 40 GJAB Cc1ccc([C@@H](CNC(=O)COc2cc(C)ccc2C(C)C)N2CCCC2)cc1 28288176 RITPQJNGCRIUOP-HSZRJFAPSA-N 394.559 4.759 0 40 GJAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3F)cc2)n1 32578617 ZIOIRJUODQVSME-UHFFFAOYSA-N 389.814 4.670 0 40 GJAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)Nc1ccc(Nc2ccccc2)cc1 32904340 CUIZJPNYAKURTA-FOCLMDBBSA-N 395.466 4.722 0 40 GJAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cc1coc2cc(C)ccc12 32983423 MYSLVTVPVAKUHM-UHFFFAOYSA-N 395.484 4.834 0 40 GJAB CC(C)(C)c1ccc2oc(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1 54105885 SKHYZMYQXHNGAY-UHFFFAOYSA-N 394.490 4.552 0 40 GJAB biogenic O=C(c1ccc(Cl)cc1)N1CCC[C@H]1[C@H]1CCCN(Cc2ccccc2)C1 58341562 GWAUMLQKPZBCMR-UNMCSNQZSA-N 382.935 4.857 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1c(F)cccc1F 58415838 FQBUKQWSGSTKQM-UHFFFAOYSA-N 394.780 4.693 0 40 GJAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2)c1 59118461 HUEHGHMTYOYUKG-CYBMUJFWSA-N 378.394 4.620 0 40 GJAB CCCCOc1ccccc1-c1cc2c(=O)n(Cc3cccc(C)c3)ccn2n1 64977387 FYENKPDOBHNAGU-UHFFFAOYSA-N 387.483 4.699 0 40 GJAB FC(F)(F)Oc1cccc(NC(=S)Nc2cccc(CN3CCCC3)c2)c1 71760816 HFILOFAHUFDSTP-UHFFFAOYSA-N 395.450 4.990 0 40 GJAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 71761648 UZNJMAADRRCGCA-UHFFFAOYSA-N 384.379 4.571 0 40 GJAB Cn1nc(-c2ccccc2Cl)cc1C(=O)N1CCC(c2ccccc2)CC1 72404941 BPRZDGIFXPZQAV-UHFFFAOYSA-N 379.891 4.760 0 40 GJAB COc1cccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c1 95471178 FGEYVZZIFRZNPN-UHFFFAOYSA-N 393.462 4.621 0 40 GJAB COc1ccccc1NC(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119708 HUZFTKFCFDVSJB-UHFFFAOYSA-N 390.399 4.573 0 40 GJAB COCCn1ccc2ccc(C(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)cc21 96230783 UGNDAYKPQPHKLI-NRFANRHFSA-N 387.483 4.576 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C 222870307 YODOSSSLCUCAAU-NHCUHLMSSA-N 382.577 4.998 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223379009 SGZDQWKZSIBCIB-RTWAWAEBSA-N 390.556 4.811 0 40 GJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1 223408554 AWIQPHNEARYMTO-WOJBJXKFSA-N 395.553 4.633 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(F)cc1F 225686756 XHZBPNGSLGWQHQ-MRXNPFEDSA-N 378.444 4.562 0 40 GJAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1cc(Cl)ccc1Cl 225734308 GPMACMFUYDCXNU-UHFFFAOYSA-N 381.646 4.600 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nc(N)sc2c1 226311748 CKJAATVQPHVVRO-QMMMGPOBSA-N 382.272 4.591 0 40 GJAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1C 243032326 IAUBCNOKSAHPFU-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CC(C)CC(=O)N1CCC[C@H]1c1ccc(C(=O)O)c(-c2cccc(Cl)c2)n1 257240963 HVYNWMKSIPAMQV-SFHVURJKSA-N 386.879 4.810 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 257325554 WTMKKAWNKUIDCR-QAQDUYKDSA-N 384.524 4.609 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCC[C@H]1CC 260408946 TWYOXYUIWIIMBY-MJGOQNOKSA-N 383.001 4.982 0 40 GJAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc12 408628032 PRBDNBHXWFHQNS-UHFFFAOYSA-N 381.482 4.786 0 40 GJAB O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)c1cccc(C(F)F)c1F 528642919 OJMLAUGXXDAYCU-UHFFFAOYSA-N 396.796 4.809 0 40 GJAB CC(C)(C)c1ccc(-n2nc3cc(Cl)c(N)c(Br)c3n2)cc1 575415000 FLFIAOKJZWDEIZ-UHFFFAOYSA-N 379.689 4.716 0 40 GJAB CC(C)C[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1)n1cccc1 575444052 XLMAIINVJAWPFD-INIZCTEOSA-N 383.473 4.566 0 40 GJAB COc1ccc(Br)c(C(=O)NCc2ccc(-c3cccs3)o2)c1 575609013 MZNIWZCZGNRIOA-UHFFFAOYSA-N 392.274 4.709 0 40 GJAB Cn1ncc(C(F)(F)F)c1CN[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 623755966 OBFNBDLIMJABHY-HNNXBMFYSA-N 382.817 4.741 0 40 GJAB Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)NC[C@H]1CCOC1(C)C 665964150 OJGIZALURFNSJV-QGZVFWFLSA-N 386.467 4.650 0 40 GJAB Cc1ccc(C)c(N2C(=O)N(CC3CCCC3)c3ccccc3S2(=O)=O)c1 1889108506 XGGSFQAZASQIGW-UHFFFAOYSA-N 384.501 4.629 0 40 GJAB O=C1C(Cl)=C(Nc2ccc(Cl)cc2)C(=O)N1c1cccc2ccccc12 951844 NXJBHBPZFVDBDU-UHFFFAOYSA-N 383.234 4.929 0 40 GJAB CCOc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccccc3c2=O)cc1 2693181 OHNSJHKHMIXURY-UHFFFAOYSA-N 397.474 4.988 0 40 GJAB Cc1ccc(N[C@@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)cc1 3109689 UQQBUYWAMOOXMI-HNNXBMFYSA-N 375.658 4.672 0 40 GJAB C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 3288376 BJZYULOKXIOFPY-NSHDSACASA-N 377.391 4.768 0 40 GJAB CCOC(=O)c1[nH]c(C)c(C(=O)OC(c2ccccc2)c2ccccc2)c1C 3326839 NHXIQDXPYRKEGC-UHFFFAOYSA-N 377.440 4.755 0 40 GJAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)OCc1ccc(Cl)cc1 3341631 SPRQHOCBTFGGTH-UHFFFAOYSA-N 380.827 4.693 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2c1 4174177 ASZGGKOAEGILRK-UHFFFAOYSA-N 386.285 4.875 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)NCCc4ccc(F)cc4)c(N)c3cc2C1 4620017 LQAGKUWJOGOJPA-CYBMUJFWSA-N 397.519 4.505 0 40 GJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 4716808 ZYQDDZBSFGXJFU-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1cc(C(=O)OCc2csc(-c3ccccc3)n2)cc(Cl)c1OC 4799597 ZQPKPLSWVCNLEH-UHFFFAOYSA-N 389.860 4.838 0 40 GJAB CCc1nc2sc3c(c2c2nnc(SCc4ccccn4)n12)CC[C@@H](C)C3 4848074 AJBBDZNYXHWIMW-GFCCVEGCSA-N 395.557 4.714 0 40 GJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc2ccccc2o1 4973308 UASZFSNQRWHWCO-UHFFFAOYSA-N 385.379 4.897 0 40 GJAB N=C1S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1 5176128 XHWYSFAENWTFOE-AWEZNQCLSA-N 395.709 4.728 0 40 GJAB COc1cc(C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/[C@H](O)[C@H]2C(C)C)ccc1O 5638784 OLJDCWYDXLXFJK-YYTTYREGSA-N 388.504 4.636 0 40 GJAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N3CCc4ccccc43)s2)c1 6057730 PARSJUHWWFNUEW-CQSZACIVSA-N 396.541 4.660 0 40 GJAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1C(F)(F)F 6111769 JHJWBQWHRSOOMN-UHFFFAOYSA-N 393.858 4.606 0 40 GJAB S=C(c1cc(Br)ccc1OCc1ccccc1)N1CCCC1 6344294 VHESJYWARMPRQL-UHFFFAOYSA-N 376.319 4.799 0 40 GJAB CCCCn1nc(C)c(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1Cl 6604645 RQYULYYDKVVDSG-KRWDZBQOSA-N 387.915 4.648 0 40 GJAB CC1(C)C[C@](CCN2CCN(c3ccccc3)CC2)(c2ccccc2)CCO1 6719251 NDQBUUXGNKMAOY-RUZDIDTESA-N 378.560 4.726 0 40 GJAB CN(C)c1cccc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c1 6831593 YVSUNVURIKGLBA-FQEVSTJZSA-N 389.524 4.857 0 40 GJAB C[C@H]1CCc2onc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c2C1 6853483 RGHBBJPXTNHAMG-URNNUDQISA-N 397.544 4.976 0 40 GJAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccccc1Br 7402186 SARNQFHBRLMPRK-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB COc1cccc(-c2nc(COC(=O)C3(c4ccccc4)CC3)cs2)c1OC 7491056 PYTDRMJHWKMSKH-UHFFFAOYSA-N 395.480 4.602 0 40 GJAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(COc2ccccc2)o1 7779233 SGDWBELCJLLFET-UHFFFAOYSA-N 383.419 4.669 0 40 GJAB COCCOc1ccc(C(=S)N2CCc3ccccc3C2)c2ccccc12 8106107 KDBBRQOUHKOVET-UHFFFAOYSA-N 377.509 4.599 0 40 GJAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCc1ccccc1 8734448 DGXDBWJQEITRQN-UHFFFAOYSA-N 375.255 4.897 0 40 GJAB COc1ccc(CCC(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc1 12420675 RCPUARQDIACSEH-UHFFFAOYSA-N 399.450 4.984 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCC(C)CC2)cc1 12581234 PKJBXOYICUYCCA-SFHVURJKSA-N 381.520 4.761 0 40 GJAB CC(=O)N1CCc2cc(NCc3c(-c4ccccc4)nc4sccn34)ccc21 12581609 KLLPGYVXAJIPSU-UHFFFAOYSA-N 388.496 4.584 0 40 GJAB CC[C@H](Sc1nc(C)c(-c2ccc(O)cc2)[nH]1)C(=O)N[C@@H](C)c1ccccc1 13945133 RTJZXYQOJIUBJC-LIRRHRJNSA-N 395.528 4.839 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 14001652 GFMQYGLXEMNMJU-UHFFFAOYSA-N 382.504 4.664 0 40 GJAB Cn1ncc2c(Oc3ccc(-c4ccc(Br)cc4)cc3)ncnc21 14218410 NXFHKBGZLIOKCN-UHFFFAOYSA-N 381.233 4.585 0 40 GJAB O=C(CCC(=O)c1ccc(Cl)cc1)OCc1nc2ccccc2n1C(F)F 14902182 UKMSZAHFSDGIEZ-UHFFFAOYSA-N 392.789 4.791 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1cccc(F)c1 16011210 WYFWNKLYVNVEIJ-UHFFFAOYSA-N 387.842 4.509 0 40 GJAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20493305 PVGHMRPSEQRNMN-SFHVURJKSA-N 381.497 4.779 0 40 GJAB Cc1cccc(Cc2c(C)nc(Nc3nc(C)c4cc(C)c(C)cc4n3)[nH]c2=O)c1 20797959 LYMBSFSDDRHMIE-UHFFFAOYSA-N 399.498 4.590 0 40 GJAB Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)N1CCN(Cc2ccccc2)CC1 21486918 BSOZGPTZOJPAJZ-SANMLTNESA-N 396.538 4.779 0 40 GJAB O=C(Nc1nnc(SCc2ccccc2)s1)c1cccc2cccnc12 21954246 UUTQHAAUSBAURI-UHFFFAOYSA-N 378.482 4.631 0 40 GJAB COc1ccc(NC(=O)[C@@H](C)SC2=Nc3ccccc3CS2)cc1OC 22022506 BGPZQSWOIDTJTC-GFCCVEGCSA-N 388.514 4.699 0 40 GJAB COc1ccc(CCNC(=O)CCCSc2ccc(Cl)cc2)cc1OC 25424018 YVLOHTUMNOTWGJ-UHFFFAOYSA-N 393.936 4.588 0 40 GJAB Cc1ccc2oc(C(=O)N(Cc3ccc(F)cc3)Cc3ccco3)cc(=O)c2c1 27990929 FCZPUEFSPOOPBQ-UHFFFAOYSA-N 391.398 4.676 0 40 GJAB Cc1ccccc1NC(=O)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1 28527991 VSKMPNQYZICVTI-UHFFFAOYSA-N 393.466 4.691 0 40 GJAB CC(C)C(=O)Nc1ccc(C(=O)CSc2ccc(C(F)(F)F)cn2)cc1 31743333 GSZSDCQZZZDLFV-UHFFFAOYSA-N 382.407 4.670 0 40 GJAB O=C(CCCc1ncc(-c2ccccc2)o1)NCc1nc2ccccc2s1 32475458 ANBKIIDQJSPEHE-UHFFFAOYSA-N 377.469 4.590 0 40 GJAB O=C(CCc1ccc(-c2ccccc2)o1)NC1CCN(Cc2ccccc2)CC1 33026955 WENAKGCNZVRQJJ-UHFFFAOYSA-N 388.511 4.660 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2ncnc3c2[nH]c2ccc(F)cc23)c1 33172638 KBADLTJTQUQKEB-UHFFFAOYSA-N 380.448 4.598 0 40 GJAB COc1cc(COc2ccc(C(=O)O)cc2OC)ccc1OCc1ccccc1 33767366 IKHFDGVIGZVMBL-UHFFFAOYSA-N 394.423 4.560 0 40 GJAB CN(C)[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccccc1Cl 38630709 QXHVHMZMQXDRHB-KRWDZBQOSA-N 376.953 4.632 0 40 GJAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)s2)o1 41787953 OTGKEUNYMHMJIZ-INIZCTEOSA-N 392.484 4.874 0 40 GJAB CSc1ccc(Nc2ncccc2S(=O)(=O)Nc2ccc(C)cc2)cc1 49402335 QGDYQHWUMOEFRW-UHFFFAOYSA-N 385.514 4.656 0 40 GJAB CCN(Cc1ccccc1NC(=O)N[C@@H]1CCc2cc(Cl)ccc21)C(C)=O 56640429 DKBPNLQJAYNQDD-HXUWFJFHSA-N 385.895 4.517 0 40 GJAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3cccs3)no2)cc1 61997306 SYGLHVZEVZDIEJ-SFHVURJKSA-N 389.480 4.820 0 40 GJAB COc1ccc(NC(=S)Nc2cc(OC)c(Cl)cc2OC)cc1Cl 71761846 DFHFXBZBNAUXKY-UHFFFAOYSA-N 387.288 4.828 0 40 GJAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)CC2CCCCC2)n1 72359903 MLLWGIWQEDLOPI-GOSISDBHSA-N 399.564 4.927 0 40 GJAB COc1cccc2cc(C(=O)N(CCc3cccs3)Cc3cccnc3)oc12 77183829 IFNJQQQYQJPQST-UHFFFAOYSA-N 392.480 4.783 0 40 GJAB COc1cc(CNc2cc([C@H]3C[C@@H]3C)nn2-c2ccccc2)cc(OC)c1OC 95455324 HVZSOBCJUHDJDR-YJBOKZPZSA-N 393.487 4.634 0 40 GJAB Cc1sc(NC(=O)c2ccnc(-n3ccnc3)c2)nc1-c1ccc(Cl)cc1 95951303 JNSBDSSYPXMSDV-UHFFFAOYSA-N 395.875 4.605 0 40 GJAB Cc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 100424628 MFEZQZGVFAWMQQ-SFTDATJTSA-N 379.573 4.867 0 40 GJAB CCOc1ccc2nc(SCC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)sc2c1 102149550 PBYJSOJWOHOJEY-RZLSGREXSA-N 390.574 4.728 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(O)cc2)C[C@H](c2cccc(Cl)c2)C1 102677053 NXIMKWOUYDXZFQ-VBKZILBWSA-N 392.846 4.702 0 40 GJAB COc1cccc([C@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1OC 169702385 ZDNWPEVWMMJZJR-BOVZOARMSA-N 379.456 4.699 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 222800932 CQXIMUKRJZNRQM-OALUTQOASA-N 381.526 4.818 0 40 GJAB CC[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc2c(c1)CCCC2 223136217 NZIAVTACGHCGRH-HSZRJFAPSA-N 377.528 4.881 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223230125 VSGRJADCFOLGQF-KGLIPLIRSA-N 388.305 4.583 0 40 GJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cccc(C(C)=O)c3)o2)cc1 224859958 UWHYZEJJIAPUMV-UHFFFAOYSA-N 378.428 4.514 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 225585707 MHOKOLUJOMYWQL-OFNKIYASSA-N 394.559 4.568 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 225812882 XESUNLGGAAOJNS-UHFFFAOYSA-N 395.377 4.680 0 40 GJAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C(=O)OCC 225818897 FYNYLIREZBWTEX-QFIPXVFZSA-N 393.524 4.822 0 40 GJAB CC(C)n1nccc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257237577 HHCRNQPTZUWRAS-SFHVURJKSA-N 398.894 4.674 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2-c2cn3c(n2)SCC3)c1C 390825885 MIIBAXSDNHOJNP-MRXNPFEDSA-N 393.512 4.679 0 40 GJAB COc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1cccc(F)c1 408610210 OHBORAYWIHHYAL-UHFFFAOYSA-N 381.403 4.724 0 40 GJAB COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1O 409055807 FCDBXMQJWAHKCW-ZSOIEALJSA-N 396.251 4.949 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)cc1 409097524 GWSNMVMGGIZVFA-UHFFFAOYSA-N 394.544 4.564 0 40 GJAB CNC(=O)c1cccc(NC(=O)[C@H](C)SC2CCC(c3ccccc3)CC2)c1 1166790720 MIDCHRRWFQHNBK-AFJQURTJSA-N 396.556 4.833 0 40 GJAB COc1ccc(OCCn2cc(C(=S)N3CCCCC3)c3ccccc32)cc1 665054 SSENPVUSDGAQLB-UHFFFAOYSA-N 394.540 4.890 0 40 GJAB COc1ccc2nc(C)cc(S[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)c2c1 915682 NDBVTYDSKNGSLX-OAHLLOKOSA-N 394.496 4.874 0 40 GJAB COc1ccc2cc(C)c(SCC(=O)N3CCCc4ccccc43)nc2c1 932981 WQSWEVGHUUARKR-UHFFFAOYSA-N 378.497 4.623 0 40 GJAB CCOc1cc(NC(=O)C(C)C)c(OCC)cc1NC(=O)Nc1ccccc1 1324470 VVJRIUDSPOGYEV-UHFFFAOYSA-N 385.464 4.723 0 40 GJAB CC1CCN(C(=O)CSc2nc3ccccc3n2Cc2ccccc2F)CC1 1381383 YTGLHCWWFUSBCO-UHFFFAOYSA-N 397.519 4.574 0 40 GJAB O=c1/c(=C\c2ccccc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 2208246 HDSXNEYBWBDJBL-CAPFRKAQSA-N 380.472 4.638 0 40 GJAB O=C1CCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 3562514 HBZSKBNDHSLKAF-GOSISDBHSA-N 383.904 4.861 0 40 GJAB COc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@@H](c3ccco3)C2)cc1 4306658 GUVSIKWYLQVNKN-LJQANCHMSA-N 380.831 4.933 0 40 GJAB Cc1cccc(NC(=O)c2c(N)c(C(=O)c3cccs3)n3ccccc23)c1C 4585224 LJUXRWRHXJABCN-UHFFFAOYSA-N 389.480 4.683 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccc(Cl)c1 4800581 OEXTZSHYGLGPHN-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB CCCC(=O)Nc1c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc2n1C 5304153 ORYXLUNGPYDVFS-UHFFFAOYSA-N 388.389 4.963 0 40 GJAB Cc1ccccc1Nc1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)s1 6975176 LURRXZKJOZTDRW-QGZVFWFLSA-N 396.541 4.702 0 40 GJAB Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(F)cc3)nc12 7424521 XLOMPFOSSNOXRS-UHFFFAOYSA-N 394.475 4.677 0 40 GJAB CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCc1ccccc1 7538368 WESADXHODUGSOQ-UHFFFAOYSA-N 377.484 4.963 0 40 GJAB Cc1ccc(NC(=O)[C@H](OC(=O)COc2ccccc2C)c2ccccc2)cc1 7601108 DUZIPJDJXBYEJJ-HSZRJFAPSA-N 389.451 4.605 0 40 GJAB Cc1sc(NC(=O)COC(=O)c2cccc(Cl)c2)nc1-c1ccccc1 8332562 NWNXLWWQTYARKN-UHFFFAOYSA-N 386.860 4.567 0 40 GJAB COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 9135378 FRGCPIPLRZVCPS-UHFFFAOYSA-N 388.423 4.638 0 40 GJAB Cc1ccc(C(=O)COC(=O)c2ccccc2OCc2c(C)noc2C)cc1C 11205504 DERUAGKKIQFSBN-UHFFFAOYSA-N 393.439 4.527 0 40 GJAB Cc1cc(F)ccc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 11214222 BQMUVQRSTUFZQX-UHFFFAOYSA-N 376.435 4.518 0 40 GJAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc2nnsc2c1 11692737 DMCIVTGQVMCQNS-UHFFFAOYSA-N 386.889 4.644 0 40 GJAB O=C(/C=C/c1ccc(Br)s1)OCc1cc(-c2cccs2)on1 11826227 FNNYOPPUBAGDTQ-GQCTYLIASA-N 396.287 4.984 0 40 GJAB CCC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 12241403 VQDQYJMSZGHEHG-UHFFFAOYSA-N 397.544 4.652 0 40 GJAB O=C(c1cc2c(s1)CCC2)N(C[C@H]1CCCO1)c1nc2ccccc2s1 12598954 ZZBOLLWWTNNAST-CQSZACIVSA-N 384.526 4.672 0 40 GJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccccc1O 12819309 IXCNHJYMXAVFRL-UHFFFAOYSA-N 383.451 4.517 0 40 GJAB CC(C)C(=O)Nc1cccc(CNC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 12985180 BURFUPIRBMJZTB-INIZCTEOSA-N 393.487 4.930 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc2ccccc2o1 15018952 BTWPCCLMYBCNJT-UHFFFAOYSA-N 396.447 4.581 0 40 GJAB O=C(NC1CCCCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 18209591 HXQNIXSQOFTYER-XJKSGUPXSA-N 396.413 4.589 0 40 GJAB Cc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCC1 19237252 ZXVFUDOJNZDUKL-VABKMULXSA-N 394.584 4.673 0 40 GJAB Cc1cc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)ccc1Cl 20144265 NEWRPWXCPBVIER-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB CCc1cccc(C)c1NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 20767732 ITEWQWBODLQMDH-UHFFFAOYSA-N 389.480 4.546 0 40 GJAB COC(=O)CCS[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCCc2ccccc21 23234592 LYOYVIFVFMGDFZ-DENIHFKCSA-N 381.497 4.515 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2ccc3c(c2)OCO3)cc1 27161396 NHRCMIONRSJALN-FQEVSTJZSA-N 381.472 4.500 0 40 GJAB CCc1ccc([C@H](CNC(=O)c2ccc(OCC(C)C)cc2)N2CCCC2)cc1 28292806 VCPVRARNYHZNRG-DEOSSOPVSA-N 394.559 4.851 0 40 GJAB Cc1ncc(-c2ccc(NC(=O)c3ccc(N4CCCCCC4)nc3)cc2)o1 29857503 LFQDZABOBGPDPW-UHFFFAOYSA-N 376.460 4.678 0 40 GJAB COc1ccccc1NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 31423563 KUSUFKWBUJFBDD-UHFFFAOYSA-N 388.876 4.876 0 40 GJAB COc1ccc(Cc2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1OC 32899497 QMUDUJFXAIJYKK-UHFFFAOYSA-N 394.496 4.545 0 40 GJAB Cc1csc(N(C(=O)Cc2csc(-c3ccccn3)n2)c2ccccc2)n1 36779277 SZBCOHCMVUDSMJ-UHFFFAOYSA-N 392.509 4.877 0 40 GJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 38500883 URHBJTAEJNLRSE-WBVHZDCISA-N 387.499 4.745 0 40 GJAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cc(-c2cccs2)on1 40039541 PBVNMNDHAFWTOC-UHFFFAOYSA-N 379.397 4.501 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCc2sccc2C1 43870022 WEGSJFSLWKUTGI-UHFFFAOYSA-N 392.406 4.543 0 40 GJAB CC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(C)cc1C 44856684 FYFXJVLWTYLVQS-HSZRJFAPSA-N 382.523 4.922 0 40 GJAB Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 44912284 NCZPHFVZCDXRIM-SFHVURJKSA-N 391.342 4.830 0 40 GJAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(Cl)c1)SCC(O)=N2 44920562 XMJSFWGGGJPTPL-GOSISDBHSA-N 385.876 4.964 0 40 GJAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 67257580 LQAJIAKVCXHJLC-UHFFFAOYSA-N 399.903 4.845 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72357611 IAJMLOPCETXEGY-QFIPXVFZSA-N 378.422 4.928 0 40 GJAB CC[C@H](C(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 77200319 RYEIPTWOUQBGAZ-HKBOAZHASA-N 398.478 4.995 0 40 GJAB CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C1CCN(Cc2ccccc2)CC1 78877878 KVYVOLMPYVHFMZ-DEOSSOPVSA-N 378.560 4.687 0 40 GJAB Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 89537068 PDUVZHZGKILMJZ-QGZVFWFLSA-N 382.460 4.901 0 40 GJAB Cc1nc(-c2cccs2)sc1CNC(=O)[C@@H](C)Oc1ccccc1Cl 90592692 VAHYTOYUHRXQOH-GFCCVEGCSA-N 392.933 4.917 0 40 GJAB CC(C)(C)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=S)Nc1ccccc1Cl 100427092 VWZKKNLCEWJVLN-HUUCEWRRSA-N 393.984 4.585 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)N1CCS[C@H](c2ccccc2)CC1 206989670 IRWHXLJSOGOTAS-SFHVURJKSA-N 395.446 4.791 0 40 GJAB CC(C)=Cc1ccc2c(N)c(C(=O)Nc3ccc(C(F)(F)F)cn3)sc2n1 215709379 CQOMUYBKTFVPMG-UHFFFAOYSA-N 392.406 4.968 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c1 216030246 RCEJJRCGWBPEFA-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc(OC)c3OC(C)C)N21 222659699 PDFWXCFSJKKYRU-RYGJVYDSSA-N 397.544 4.857 0 40 GJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(F)c3)N21 222706539 ODIOEDGEFABIEH-ORYQWCPZSA-N 392.503 4.991 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)c1 222813323 MSTVSXUHUPUMHC-ZDUSSCGKSA-N 379.551 4.876 0 40 GJAB S=C(NCc1cccnc1)Nc1ccc(Nc2ccc3ccccc3c2)nc1 223941459 RAPJSIMFGJWBSR-UHFFFAOYSA-N 385.496 4.860 0 40 GJAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)c1 224241781 CBGHOQBCGQUVMH-SFTDATJTSA-N 376.529 4.950 0 40 GJAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1ccc(C(C)(C)C)cc1 224527822 SGAXSFDWAVJREJ-QGZVFWFLSA-N 399.531 4.727 0 40 GJAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)s1 224597680 WOZZDUXHYVXFJC-OAHLLOKOSA-N 387.530 4.990 0 40 GJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1cccc(CN2CCCCC2)c1 224682089 HLHZPMIOQJJFHK-FQEVSTJZSA-N 394.559 4.880 0 40 GJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1cccc(C(F)(F)F)c1 225808537 GPBBQBYUTLCSBQ-UHFFFAOYSA-N 395.768 4.980 0 40 GJAB Cc1ncc(CN2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)s1 257217224 CYCRFGYPKKJQFF-NRFANRHFSA-N 399.947 4.664 0 40 GJAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)on1 257314940 UZFJNKYHGXIYDV-WGSAOQKQSA-N 398.551 4.744 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2c(CC)cccc2CC)C1 408639332 FQSNIWJUIDINSF-OAQYLSRUSA-N 392.543 4.928 0 40 GJAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(OCc2ccccc2)cc1 409235257 ZGCAOGAOQDRDLG-FOCLMDBBSA-N 389.451 4.935 0 40 GJAB O=C(NCCC1=CCCCC1)c1cc(Br)ccc1Br 682936 YKUZQPHLGJPOKX-UHFFFAOYSA-N 387.115 4.832 0 40 GJAB COc1cc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C)cc(OC)c1 875686 RGKCVVKKVFXFFG-UHFFFAOYSA-N 396.512 4.908 0 40 GJAB O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc2ccccc2o1 1620623 SFMCUIJTFWRWCQ-UHFFFAOYSA-N 377.227 4.665 0 40 GJAB Cc1ccc(/C=C/C(=O)OCCCCOC(=O)/C=C/c2ccc(C)cc2)cc1 1674690 DDVVHQDKZTUZSV-WXUKJITCSA-N 378.468 4.897 0 40 GJAB COc1ccc([C@@H](CN(C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1 1758869 UCYAFVHTCDZUMO-HSZRJFAPSA-N 389.495 4.673 0 40 GJAB COc1ccccc1[C@]1(CCNC(=O)c2cccs2)CCO[C@@H](C(C)C)C1 2147278 BBCRVOCQADCCJZ-DENIHFKCSA-N 387.545 4.650 0 40 GJAB biogenic CCOC(=O)CCc1c(C)c2ccc(OCc3cc(C)cc(C)c3)cc2oc1=O 2148395 FZNYMSLQISAHKL-UHFFFAOYSA-N 394.467 4.793 0 40 GJAB biogenic CC(C)Oc1ccc(-c2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)cc1 2351293 VNCAJKQEGVEHKJ-UHFFFAOYSA-N 394.500 4.645 0 40 GJAB O=C(NCc1ccc(Br)cc1F)C1(c2ccccc2)CCCC1 2512709 GIQVSULJWOBNHC-UHFFFAOYSA-N 376.269 4.716 0 40 GJAB O=C(/C=C/c1ccc(F)cc1)OC(COc1ccccc1)COc1ccccc1 2631266 YZTWUSJOYBYRIY-DTQAZKPQSA-N 392.426 4.909 0 40 GJAB O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccc(Cl)cc1Cl 2660157 RCRQENKPBTXJAZ-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB C[C@@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cccc(Cl)c1 3283375 SMPJPDAOUTWUCD-OFFHKIPUSA-N 395.789 4.525 0 40 GJAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F 3448448 MRXICSPKKWJCSR-UHFFFAOYSA-N 391.414 4.773 0 40 GJAB C[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)Nc1ccc(F)cc1Cl 4767838 MXUCHKUPSQNSJH-LLVKDONJSA-N 395.883 4.994 0 40 GJAB Cc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1=O 5483809 WWWAKMOSYJSATR-QFIPXVFZSA-N 390.870 4.770 0 40 GJAB O=c1oc2ccccc2c2c1C(c1cccnc1)c1c(c3ccccc3oc1=O)O2 5572502 GIWHZKVRBAZNOO-UHFFFAOYSA-N 395.370 4.580 0 40 GJAB N=C1NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)S1 5768533 ZCLRUXQTKKKIGW-NVNXTCNLSA-N 379.268 4.711 0 40 GJAB COc1ccc(Cl)cc1-c1n[nH]c(SCCOc2ccccc2C)n1 6072736 JMBXXVUYFYDLQO-UHFFFAOYSA-N 375.881 4.613 0 40 GJAB C[C@@H](OC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1Cl 6084990 BBRLDFONHQQNAY-MRVPVSSYSA-N 390.625 4.970 0 40 GJAB CC(=O)c1sc(NC(=O)Cc2c(F)cccc2Cl)nc1-c1ccccc1 6235291 NCNWYIIWHTUDHQ-UHFFFAOYSA-N 388.851 4.986 0 40 GJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 6349662 BIPJPCXHOOAASF-UHFFFAOYSA-N 389.908 4.596 0 40 GJAB CCCCc1ccc(C(=O)N2CCc3cc4c(cc3[C@@H]2C)OCCCO4)cc1 6719870 XHMMFFVIWUJGTG-KRWDZBQOSA-N 379.500 4.950 0 40 GJAB biogenic CC(C)Sc1ncc(Cl)c(C(=O)Nc2nc3ccc(F)cc3s2)n1 6748111 ZDFIOTCNDAXDPX-UHFFFAOYSA-N 382.873 4.632 0 40 GJAB NC(=O)c1c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)sc2c1CCC2 6862040 FGUQTDZEFDWPTP-UHFFFAOYSA-N 386.860 4.501 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)/C=C/c2ccco2)c2ccccc2)c1 6932533 CSUMRKPSAVSIPY-NEQMZLFVSA-N 375.424 4.833 0 40 GJAB Cc1ccc(C)c(-n2ccnc2S[C@H](C(=O)NC2CC2)c2ccccc2)c1 6933964 SXEKTCFYFDMUGO-FQEVSTJZSA-N 377.513 4.601 0 40 GJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(Cl)ccc1OC 7655539 HGENUEQNXYYDLK-FPYGCLRLSA-N 396.668 4.772 0 40 GJAB CN(CC(=O)Nc1cc(Cl)cc(Cl)c1)Cc1nc2ccccc2s1 7688953 WPEHWTUBGFTRGD-UHFFFAOYSA-N 380.300 4.674 0 40 GJAB O=C(CNc1nc(-c2cccs2)nc2ccccc12)Nc1ccc(F)c(F)c1 7779843 PRGAGIFSVSLAQB-UHFFFAOYSA-N 396.422 4.687 0 40 GJAB O=C(c1c(-n2cccc2)sc2c1CCSC2)N1CCc2ccccc2C1 8327472 FUWKXNWYCWKVRC-UHFFFAOYSA-N 380.538 4.527 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1OCC 8497062 IOQOPYPAJMYSPL-UHFFFAOYSA-N 390.288 4.592 0 40 GJAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4cccnc4)ccc3o2)cc1 9660102 GHOFFGVYGGGDQM-UHFFFAOYSA-N 386.407 4.506 0 40 GJAB biogenic O=c1c2ccccc2nc(SCc2ccccn2)n1CCC1=CCCCC1 10532759 VMNRQMJPELUHGF-UHFFFAOYSA-N 377.513 4.974 0 40 GJAB Cc1ccccc1OCCOC(=O)c1ccccc1N(C)C(=O)c1cccs1 11491202 BHFUQMQGCCRTAU-UHFFFAOYSA-N 395.480 4.569 0 40 GJAB Cc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4F)o3)sc2c1 11684199 LSEKYWAQHRJBSW-UHFFFAOYSA-N 381.432 4.970 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)Cc1ccccc1N1CCCCC1 12592299 VLEVYMKFRBRACD-HXUWFJFHSA-N 379.548 4.753 0 40 GJAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2c(C)cccc2C(C)C)CC1 12784658 BJBXCFNTUODZOW-UHFFFAOYSA-N 378.516 4.918 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)Cc3c(Cl)cccc3Cl)o2)cs1 12925368 KJSBEEFYFISDGJ-UHFFFAOYSA-N 381.284 4.877 0 40 GJAB CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccccc3Cl)oc12 12998811 COMBLUYVKNSGHM-GFCCVEGCSA-N 379.865 4.524 0 40 GJAB CC(=O)Nc1ccc(-c2nc(CC(=O)Nc3ccc(C)cc3C)sc2C)cc1 14244084 FQXHZKWZEKWQQC-UHFFFAOYSA-N 393.512 4.875 0 40 GJAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 14255191 KIVCTABOXQIZHX-UHFFFAOYSA-N 386.286 4.687 0 40 GJAB COc1ccc(CNc2ncc(-c3cccs3)c(-c3nccs3)n2)cc1 19555921 XIAILSZFDLMDMQ-UHFFFAOYSA-N 380.498 4.949 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 19932625 BERGLAKRXKNSMJ-SFHVURJKSA-N 391.895 4.610 0 40 GJAB O=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2ccccc2)no1 22460732 JUSYNFIZGWKHKZ-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCC(C)CC3)c(O)n2n1 22853279 YBLFLAKLBGNSPB-INIZCTEOSA-N 390.940 4.534 0 40 GJAB O=C(C1CCOCC1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 23272974 QXKJZCDORMGRFT-UHFFFAOYSA-N 392.524 4.812 0 40 GJAB O=C(Nc1ccc(OC[C@H](O)c2ccccc2F)cc1)c1ccccc1Cl 27212295 NCPFPFMMAFHMGS-FQEVSTJZSA-N 385.822 4.844 0 40 GJAB Cc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)N2CCCCCC2)cc1 27746821 QJJBDKMXSGMBLI-HSZRJFAPSA-N 394.559 4.724 0 40 GJAB O=C(Cc1cccs1)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 28304091 JIBMQIOTYOBNCC-UHFFFAOYSA-N 379.416 4.785 0 40 GJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc2cc(Cl)ccc2nc1C 32865596 CXVGICHDATUXDO-UHFFFAOYSA-N 396.874 4.630 0 40 GJAB Cc1ccc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)c(C)c1 33063764 NSDIZCKRSDVUTB-UHFFFAOYSA-N 380.513 4.634 0 40 GJAB CC1=Nc2c(NC(=O)c3ccc(C)cc3)c(Nc3ccc(C)cc3)nn2C(=O)C1 35671235 DVIVHWBRNHGYPR-UHFFFAOYSA-N 387.443 4.632 0 40 GJAB Cc1cc(C(=O)Nc2cccc(F)c2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36615778 UNSKZHHRXJQJAY-UHFFFAOYSA-N 378.382 4.568 0 40 GJAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3cccs3)c12 36616646 GPLJZBKBVFPBLT-UHFFFAOYSA-N 388.496 4.598 0 40 GJAB CCN(Cc1cccc(NC(=O)C[C@@H](C)c2ccccc2)c1)C(=O)C(F)(F)F 40090457 COWCHWYHRQDQRM-OAHLLOKOSA-N 392.421 4.730 0 40 GJAB CN(c1ccccc1)c1ccccc1NC(=O)N1CCC[C@@H](N2CCCC2)C1 48234225 YQUCQTFVAZPFAQ-HXUWFJFHSA-N 378.520 4.547 0 40 GJAB Cc1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)nn1 49026989 LNPKVYNOHFUDRN-UHFFFAOYSA-N 388.452 4.953 0 40 GJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2cccc(Br)c2)C1 49547153 DOXCGMXAGGYEFM-INIZCTEOSA-N 382.261 4.818 0 40 GJAB CC(C)c1cccc(OCC(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 51440536 IKZSZMLPJSGNJW-UHFFFAOYSA-N 386.835 4.636 0 40 GJAB CCC[C@@H]1CCCN(C(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)CC1 58115791 UKBFKNJCFJIYDF-QGZVFWFLSA-N 386.565 4.735 0 40 GJAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 59227342 NXYIBTNVGYNHKL-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CCc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1 67298007 XHVIUPVTRANFNE-ATJXCDBQSA-N 391.452 4.642 0 40 GJAB Cc1sc(C(N)=O)cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 79104439 YKPLZSABDQZEQM-UHFFFAOYSA-N 387.464 4.623 0 40 GJAB O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(c2c[nH]c3ncccc23)CC1 84445829 NZXBPAXCYHTEJH-NVXWUHKLSA-N 379.426 4.638 0 40 GJAB O=C(Nc1ccccc1Cl)c1ccc(Nc2nc(Cl)ncc2F)cc1 95080283 YGMDVFGZSZSJNZ-UHFFFAOYSA-N 377.206 4.918 0 40 GJAB in-vitro CCCC(=O)N1CCC(C(=O)Nc2ccc3c(Cl)cc(Cl)cc3n2)CC1 95440173 GIULHVWWHMTAAT-UHFFFAOYSA-N 394.302 4.519 0 40 GJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 100424726 QZMAMTKUYJEXDN-JDLSMLMRSA-N 392.587 4.905 0 40 GJAB Cn1/c(=N/C(=O)c2nc3ccccc3s2)sc2c3ccccc3ccc21 100842152 XJTJKWKHGYPETG-XDOYNYLZSA-N 375.478 4.744 0 40 GJAB O=C1/C(=C/Nc2nc3ccccc3s2)c2ccccc2C(=O)N1c1ccccc1 102945370 QBHUMEXTKBSJMV-NBVRZTHBSA-N 397.459 4.936 0 40 GJAB CN(Cc1cc(Cl)nc(Cl)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108067866 KTTXLQBMHDBRTG-CZUORRHYSA-N 392.113 4.785 0 40 GJAB CCc1ccc(OCC(=O)Nc2cccc(SC)c2)c(Br)c1 218861681 UDGGHSGMLFTBTN-UHFFFAOYSA-N 380.307 4.751 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc2ccccc2cc1OC 219394099 CSXSIDNKAFSUTQ-FQEVSTJZSA-N 391.467 4.889 0 40 GJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1C 222880562 PVIXNBOMIHCHJY-NCJDQSJGSA-N 388.467 4.626 0 40 GJAB CCOc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1Cl 225292198 WWMSNXLZAIAYTH-UHFFFAOYSA-N 375.896 4.889 0 40 GJAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccc(Cl)c(Cl)c1 225723041 KNYWQVVFZKRKIK-UHFFFAOYSA-N 381.646 4.600 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C)CC2)on1 257319685 VTPIZYCPPZFJPB-VDHUWJSZSA-N 396.535 4.609 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cc4cccc(OC)c4o3)n2)cc1F 642292732 QNCCRPQQNJUSPV-UHFFFAOYSA-N 398.415 4.965 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@@H](O)c1cc(-c2ccco2)cs1 1775969140 YUVNTCWEOOENBE-LJQANCHMSA-N 377.465 4.554 0 40 GJAB CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)COc3ccccc3)cc12 708543 FMPFIFXUXJPLEK-UHFFFAOYSA-N 395.455 4.692 0 40 GJAB COc1cc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)cc(OC)c1OC 849810 PCEHBMUJQZWMRO-UHFFFAOYSA-N 383.444 4.539 0 40 GJAB COC(=O)c1ccc(COc2c(-c3ccco3)oc3cc(C)ccc3c2=O)cc1 1910726 DMUUMUIAHZTSML-UHFFFAOYSA-N 390.391 4.727 0 40 GJAB CCSc1nc(NC[C@@H]2CCCO2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2410991 MXLBJTPQFOXVDV-HXPMCKFVSA-N 393.578 4.636 0 40 GJAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(C(C)C)cc1 2448182 UMDXKVXNGLNOOM-RLWLMLJZSA-N 375.449 4.897 0 40 GJAB CC(C)(C)OC(=O)n1cc(Br)c2c(Br)cccc21 2563790 WOKVBYGNVGDARB-UHFFFAOYSA-N 375.060 4.950 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CC1CCCC1)CC2 3230593 UZGSWGSCCYSRFH-QFIPXVFZSA-N 385.529 4.820 0 40 GJAB COC(=O)c1ccc(OC(=O)c2ccccc2OCc2ccccc2Cl)cc1 3284571 YEUVOUHYARKBPG-UHFFFAOYSA-N 396.826 4.925 0 40 GJAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)N1CCCCC1 3528770 JAPUVFLTEJJSAC-UHFFFAOYSA-N 393.921 4.709 0 40 GJAB CCCCN(C)C(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 4552820 QTPXAXZFVZFOLY-UHFFFAOYSA-N 394.559 4.736 0 40 GJAB C[C@@H](OC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(=O)c1ccccc1 4593280 XMZGSCOVUWDKRR-MRXNPFEDSA-N 398.418 4.832 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2)c(C)c1 4703033 CCTNJAWFADHCAM-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB CCOc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2cccs2)cc1 4892030 QTLIQSQHKLNHQG-GHRIWEEISA-N 398.509 4.618 0 40 GJAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)CCCN2C(C)=O 5099219 RDGUOQLMSRCVID-UHFFFAOYSA-N 388.467 4.790 0 40 GJAB CSc1ccccc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 5270560 LEWLFTNBFHCWGD-UHFFFAOYSA-N 384.888 4.524 0 40 GJAB CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)NCc1cccc2ccccc12 5433984 MAKZDICFHGDEFB-ICSRJNTNSA-N 394.559 4.767 0 40 GJAB biogenic,in-vitro CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(C)cc1)c1ccccc1 5455990 RUEQGKGHZMNKRA-QFIPXVFZSA-N 389.451 4.931 0 40 GJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 5482939 DZWIGNOSHKVYBN-SNVBAGLBSA-N 378.762 4.679 0 40 GJAB COc1cc2c(cc1NC(=O)Cc1ccc3c(c1)OCCO3)oc1ccccc12 5700537 AUJSBGPYCZXCGY-UHFFFAOYSA-N 389.407 4.547 0 40 GJAB CCOc1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 5753846 QATMWYMAKMBCBP-UHFFFAOYSA-N 387.520 4.736 0 40 GJAB C[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)C12CC3CC(CC(C3)C1)C2 6128206 HLJYOBVBFNEWPL-SBNSQYLKSA-N 388.511 4.521 0 40 GJAB CCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccccc3Cl)sc2c1 6327927 NTTZXHAOUOAYAA-CSKARUKUSA-N 386.860 4.778 0 40 GJAB CSCC[C@@H](NC(=O)c1oc2ccccc2c1C)c1nc2ccccc2[nH]1 6512106 FLMLHPYVXWHWJB-QGZVFWFLSA-N 379.485 4.842 0 40 GJAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 7071391 LXDMMNNVFSICQW-CTFRJJSNSA-N 395.480 4.783 0 40 GJAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1 7138095 OMYJSNDRJLSZSB-CQSZACIVSA-N 377.469 4.726 0 40 GJAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 7928893 RZSWEOHLJJHIBN-GOSISDBHSA-N 391.854 4.966 0 40 GJAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2-c2ccccc2)c1 8037043 FTHVAAPJBCUCIH-UHFFFAOYSA-N 385.872 4.663 0 40 GJAB CCOc1ccc(Nc2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1 8231052 HVMVSQMQDJUBFR-UHFFFAOYSA-N 382.489 4.517 0 40 GJAB O=C(COc1ccccc1Cl)N1CCc2sccc2[C@@H]1c1ccccc1 8327744 HBPHJWAWAPHPPO-NRFANRHFSA-N 383.900 4.955 0 40 GJAB CC(=O)c1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 8388766 IESKSZZRHZJYHP-NTKDMRAZSA-N 387.479 4.871 0 40 GJAB CCCCCCOc1ccc(CNCc2cc(OC)c(OC)cc2OC)cc1 8402971 ZUUCVOISHVJPNV-UHFFFAOYSA-N 387.520 4.961 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2F)cc1OCCC 8867461 NONGBLDGSKDMPU-UHFFFAOYSA-N 399.422 4.706 0 40 GJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(F)c3)cc21 8959956 YMMVCMJXUHSINV-UHFFFAOYSA-N 398.478 4.876 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)NCc1csc(-c2ccccc2)n1 10893504 ZJXSJZHBLOINHJ-UHFFFAOYSA-N 375.453 4.704 0 40 GJAB O=C(NCCc1ccccn1)c1cc(-c2ccccc2Cl)nc2ccccc12 12476430 QJTXVYDJIMSFEW-UHFFFAOYSA-N 387.870 4.923 0 40 GJAB Cc1ccc(-c2nc(CC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cs2)c(C)c1 12547791 KYWCWBDBGNLKAI-HNNXBMFYSA-N 390.512 4.723 0 40 GJAB CCOc1cc2c(cc1CNC(=O)c1cc(Cl)ccc1Cl)O[C@H](C)C2 12981168 BOZWXBOCICYLGF-LLVKDONJSA-N 380.271 4.646 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1 12997819 LOBLNHFXMPEGNQ-UHFFFAOYSA-N 395.484 4.550 0 40 GJAB Cc1cc(-c2cnc(C3CCN(C(=O)CC(C)(C)C)CC3)nc2C(C)C)on1 19121626 LMLYNUFUVAGCDR-UHFFFAOYSA-N 384.524 4.706 0 40 GJAB CCN(C(=O)c1ccccc1)[C@H]1CCO[C@@H](c2cccc(-c3cncnc3)c2)C1 19711917 QONVTFUGIXQDQD-XZOQPEGZSA-N 387.483 4.526 0 40 GJAB CCOc1ccc(CNC(=O)c2cc3ccccc3cc2OC)cc1OCC 20050307 ZKKOSELBJGKIHG-UHFFFAOYSA-N 379.456 4.576 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1 20141801 PCJCVGKNAOMVRJ-UHFFFAOYSA-N 395.455 4.879 0 40 GJAB CCOc1ccc(CCC(=O)Nc2ccc(OC)c(Cl)c2)cc1OCC 20456388 WWLDBKKQQMFVAW-UHFFFAOYSA-N 377.868 4.717 0 40 GJAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(-c2ccn[nH]2)c1 24892094 SZQLZWJCCKBPKY-UHFFFAOYSA-N 388.427 4.513 0 40 GJAB Cc1ccc(C)c(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1 28527875 MWVKWPWWMPGAKU-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB Cn1c(SCc2cccs2)nnc(Nc2cc(Cl)cc(Cl)c2)c1=O 28536760 BQXRPHCFQAYTGK-UHFFFAOYSA-N 399.328 4.580 0 40 GJAB C[C@@H]1CCc2[nH]c3ccc(CNC(=O)c4ccc(Br)cc4)cc3c2C1 28580854 JCPSRNVNQNJLMM-CYBMUJFWSA-N 397.316 4.985 0 40 GJAB COc1ccc(NC(=O)Cc2coc3c(C)c(C)ccc23)cc1OC(F)F 29197633 APQDYKNHDZZDBA-UHFFFAOYSA-N 375.371 4.841 0 40 GJAB O=C(C1CCN(Cc2c(Cl)cccc2Cl)CC1)N1CCc2ccccc21 30946930 DORRLTBBRSXFIF-UHFFFAOYSA-N 389.326 4.795 0 40 GJAB CN(Cc1ccco1)C(=O)c1ccccc1CSc1nc2ccccc2o1 32976340 FJHLZKDTXLFJRA-UHFFFAOYSA-N 378.453 4.985 0 40 GJAB Cc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccccc3)c2)no1 33327275 QBPPAPDLEWWUCJ-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB C[C@@H](Oc1ccccc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 36697782 FZJDNGPPENGUGH-XMSQKQJNSA-N 384.479 4.884 0 40 GJAB O=C(NCCc1ccccc1F)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 40061961 AALPVOAKJBJAJZ-IAGOWNOFSA-N 380.488 4.844 0 40 GJAB COc1ccc(F)cc1-c1csc(NC(=O)Cc2c[nH]c3ccccc23)n1 40111273 UVJMDHYQSORVLM-UHFFFAOYSA-N 381.432 4.620 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)/C=C/c3nc4ccccc4o3)cc2)cs1 48275961 ICPHGWRELJDSJS-ZHACJKMWSA-N 375.453 4.589 0 40 GJAB CCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@H](C)C4)cc3)cc2c1 57712653 WVVRJKUDZHFHTM-KRWDZBQOSA-N 375.516 4.939 0 40 GJAB CC(C)c1noc(-c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2)n1 58245008 XOEORMRQABQIKL-UHFFFAOYSA-N 397.500 4.540 0 40 GJAB O=C(COc1ccc(C2SCCCS2)cc1)OCCCc1cccnc1 60949207 HVVDMRCZWVMEIW-UHFFFAOYSA-N 389.542 4.505 0 40 GJAB O=C(c1ccncc1)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396365 IERCESQGAHKENY-IBGZPJMESA-N 382.467 4.645 0 40 GJAB O=C(c1cscn1)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396395 JUZIYRHMXFAINM-INIZCTEOSA-N 388.496 4.706 0 40 GJAB COc1ccc(Br)c(C(=O)N2CCC(c3ccsc3)CC2)c1 77099787 YFEKBGKHZKVNAF-UHFFFAOYSA-N 380.307 4.539 0 40 GJAB Cc1nc2ccccc2nc1COC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 84057546 GPTSFZFNRGZGRU-HUUCEWRRSA-N 386.373 4.804 0 40 GJAB COc1ccccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O 106735171 YYHWIOYWXYASOT-SXGWCWSVSA-N 377.824 4.724 0 40 GJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1[C@@H](C)CCC[C@H]1C 108940676 UNNRRZKPNGRMTD-XQQFMLRXSA-N 397.466 4.919 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 223063684 ULTHVANLLXUTDY-QGZVFWFLSA-N 397.500 4.627 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 223215435 FJWQWBKYUUHIID-JOCHJYFZSA-N 394.559 4.568 0 40 GJAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 224325635 XMPNODGKGWKKEY-SFTDATJTSA-N 376.529 4.766 0 40 GJAB Cc1ccc(CC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c(C)c1 224595598 JUDBQBXHPXQOTO-UHFFFAOYSA-N 377.488 4.510 0 40 GJAB COc1ccc(CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1OC 225336110 JFGLXUSFFAOURC-UHFFFAOYSA-N 396.314 4.692 0 40 GJAB O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cncc(-c2cccs2)c1 225667105 NKYXGDOTQPWLTH-UHFFFAOYSA-N 376.403 4.688 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1snnc1-c1ccc(Cl)cc1 225770533 REUCASRFHONDBA-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(Br)cc3)nc2c1 226270307 RIBGJBNMUZYSTH-UHFFFAOYSA-N 399.166 4.782 0 40 GJAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3)nc2c1 408625699 FFEVMYCDQPGDPS-UHFFFAOYSA-N 381.501 4.971 0 40 GJAB CCc1ccc(NCc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 409111074 AWBZJQWZQNZKHM-UHFFFAOYSA-N 381.497 4.937 0 40 GJAB CN1CC[C@H](CNC(=O)Nc2cc(F)cc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 534229792 NOEKWZWYCYKDSN-XIKOKIGWSA-N 397.828 4.572 0 40 GJAB COc1ccc([C@@H](CN(C)C)NCc2ccc(Oc3cccnc3)c(C)c2)cc1 585081278 PCAYLONVOJEYAE-HSZRJFAPSA-N 391.515 4.583 0 40 GJAB CO[C@H](C(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1)[C@H]1CCOC1 622769873 XFSDVELZDDBUAT-SGTLLEGYSA-N 396.270 4.776 0 40 GJAB Cc1c(C(=O)N2C[C@@H](C)c3ccccc32)cnn1-c1ccc(C(F)(F)F)cc1 1276614921 XYRNBAXJSJVBHD-CYBMUJFWSA-N 385.389 4.963 0 40 GJAB O=C(Nc1ccc2c(c1)CCOC2)c1ccccc1C(=O)c1ccc(F)c(F)c1 1586442309 CTVJMXSJUFNVGA-UHFFFAOYSA-N 393.389 4.521 0 40 GJAB FC(F)(F)c1ccc(N2CC[C@H](NCc3csc4ccccc34)C2)nc1 2087072265 YUJBNAAFLJKNAO-HNNXBMFYSA-N 377.435 4.684 0 40 GJAB C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=S)N21 625311 MXAMHBCJAQWPLN-QGHHPUGFSA-N 399.878 4.580 0 40 GJAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(C)c1 687433 GRHMHYVCTBUVJR-UHFFFAOYSA-N 394.544 4.929 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(Cl)cc1 976235 GTGFLWXJDXZJQD-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB Clc1ccc(OCc2nnc3n2N=C(c2ccccc2)CS3)c(Cl)c1 1417178 FRYJFBBCGRBCDL-UHFFFAOYSA-N 391.283 4.522 0 40 GJAB CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccccc1 2430564 BIVUPNIUXPONHS-RBUKOAKNSA-N 385.467 4.522 0 40 GJAB O=C(Nc1cccc(NC(=O)c2c(F)cccc2F)c1)c1c(F)cccc1F 3209005 PHTBBIOWNGBELP-UHFFFAOYSA-N 388.320 4.748 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3222887 MEOCGLKXUBNJEG-INIZCTEOSA-N 390.578 4.782 0 40 GJAB COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1 4176638 XGDNAHHETPDYMY-IFMALSPDSA-N 391.858 4.986 0 40 GJAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccc2)cc1 4281962 KMZABDNLIVBLEJ-XUZZJYLKSA-N 386.451 4.946 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C 4778499 OOHPCTQMOMBOQJ-TYJKZOGGSA-N 394.943 4.563 0 40 GJAB CCCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2ccccc2c1=O 5046217 WIMILFRMONMXAR-UHFFFAOYSA-N 395.528 4.544 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(C)c(C)n2C2CCCC2)c1 5090015 YNRLZRWEPZINDT-INIZCTEOSA-N 385.533 4.937 0 40 GJAB CCN(C(=O)[C@@H](C)Sc1nnc(C2CC2)n1-c1ccccc1)C1CCCCC1 6128729 VFORVALJEZWHOE-MRXNPFEDSA-N 398.576 4.807 0 40 GJAB CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 6144996 JZEGYKHLXYWXJP-QGZVFWFLSA-N 394.544 4.698 0 40 GJAB O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nccs2)cc1 7684334 WRYFMFKUTRVCGB-UHFFFAOYSA-N 389.274 4.590 0 40 GJAB CCc1ccc2c(CN3CCC[C@H]3c3ccc(OC)cc3OC)cc(=O)oc2c1 7739825 PFVZMMCABYYNLK-NRFANRHFSA-N 393.483 4.710 0 40 GJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cnc2ccccc2n1 7987709 BNQWWOAGPJIMEH-UHFFFAOYSA-N 377.831 4.815 0 40 GJAB C[C@@H]1C[C@@H](Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)C(=O)O1 8274739 HQXTVUMOUYUCEL-IAQYHMDHSA-N 377.897 4.510 0 40 GJAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 8707600 AAPMPSIHVSWBGI-UHFFFAOYSA-N 391.176 4.538 0 40 GJAB Cc1n[nH]c(-c2ccc(OCCN3CCC(C)CC3)cc2O)c1-c1ccccc1 8771267 NDUQAYUODBNJSU-UHFFFAOYSA-N 391.515 4.868 0 40 GJAB COc1cccc2cc(C(=O)Nc3nc4c(s3)COc3ccccc3-4)oc12 8960547 GYVKZXBYVCMOIG-UHFFFAOYSA-N 378.409 4.710 0 40 GJAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(-c2ccco2)nc2ccccc12 9500768 FKGNWYUZOYCCGN-UHFFFAOYSA-N 386.407 4.908 0 40 GJAB COc1cc(-c2nc3cc(NC(=O)C(C)(C)C)ccc3o2)cc(OC)c1OC 10120209 AMUBKTFBUARFFD-UHFFFAOYSA-N 384.432 4.505 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1nc2ccccc2s1 10325977 RLDBUVGPPBWGLV-UHFFFAOYSA-N 389.436 4.666 0 40 GJAB COc1cccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)c1 12223566 UPMCQAZCMBCEKX-UHFFFAOYSA-N 392.484 4.866 0 40 GJAB CC(=O)N[C@H](C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(C)C 12869921 OKKKNXCEXJXRDQ-SFHVURJKSA-N 393.512 4.576 0 40 GJAB CCCn1c(=O)n(CCC(=O)Nc2c(C)cccc2C(C)C)c2ccccc21 12976837 RHRVZRUSIUWTSP-UHFFFAOYSA-N 379.504 4.674 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)COc2cc(Cl)ccc2Cl)cc1 12988524 BTJSMSMAUJESFX-KRWDZBQOSA-N 380.271 4.745 0 40 GJAB Cc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 13041899 CBYRRNXCAPBKMB-SFHVURJKSA-N 387.483 4.537 0 40 GJAB O=C(COc1ccc2oc3ccccc3c2c1)NCCc1c[nH]c2ccccc12 15615979 AGBNKILFOLMRGW-UHFFFAOYSA-N 384.435 4.805 0 40 GJAB Cc1cccc(C)c1NC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 15880588 FUYYJRZENKSBHQ-UHFFFAOYSA-N 380.473 4.585 0 40 GJAB CC[C@@H]1c2ccsc2CCN1C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 16779192 ZDZWGFWNUUXFQD-QZTJIDSGSA-N 390.936 4.505 0 40 GJAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cn3cc(Cl)cn3)n2)c1 17080731 KEZASFCVDBRFHC-UHFFFAOYSA-N 394.862 4.590 0 40 GJAB OC1=Nc2ccccc2CC[C@H]1Sc1nnnn1-c1cccc2ccccc12 20731155 OACWVKGLDRYMII-LJQANCHMSA-N 387.468 4.511 0 40 GJAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1ccccc1Br 20745030 BTXGYHSIIIACSZ-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB O=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3ccc4ccccc4c3)c12 22606809 ULNWUTJDMVRXKN-UHFFFAOYSA-N 390.446 4.833 0 40 GJAB Cc1cnc2c(S(=O)(=O)Nc3ccc(SC(F)F)cc3)cccc2c1 26545398 ASGYYNSKVFOOND-UHFFFAOYSA-N 380.441 4.659 0 40 GJAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2cccnc2)cs1 33227638 XWPTZMDKCUXFBR-SNVBAGLBSA-N 394.283 4.918 0 40 GJAB COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)/C(=C/c3cnn(C)c3C)C[C@H]12 36005152 CYLDEGQGXAFYIQ-CIVKETMESA-N 392.543 4.648 0 40 GJAB Cc1cc(C(=O)Nc2c(C)cccc2C)c2c(C)nn(Cc3ccccc3)c2n1 36616571 VZCACFYRDHVHLC-UHFFFAOYSA-N 384.483 4.966 0 40 GJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)o2)cc1 39751371 PSWKNMDVNFSYBR-UHFFFAOYSA-N 398.422 4.550 0 40 GJAB CC(C)C(=O)Nc1nc(CC(=O)N(Cc2ccccc2)c2ccccc2)cs1 40140811 RXLCKKWXAACRHH-UHFFFAOYSA-N 393.512 4.514 0 40 GJAB CCCCCn1ccc2c(cnc3c(-c4ccc(Cl)cc4)c(C)nn32)c1=O 40397569 OSSCSZWHHNMNKI-UHFFFAOYSA-N 380.879 4.863 0 40 GJAB C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)cn1 45668836 AXYVAFGPMOZODO-JTQLQIEISA-N 377.828 4.648 0 40 GJAB O=C(c1cccc(OCc2cccnc2)c1)N1CCCc2cc(F)cc(F)c21 55441229 UHVAAVSLTMDYQX-UHFFFAOYSA-N 380.394 4.532 0 40 GJAB Cc1ccc2c(CN(Cc3cccs3)C[C@@H]3CCCO3)cc(=O)oc2c1C 57688369 YIZWKHZQJHVPTN-SFHVURJKSA-N 383.513 4.653 0 40 GJAB CCCN(Cc1cc(=O)n2ccccc2n1)[C@@H](C)c1ccc(Cl)c(Cl)c1 59404964 UJUPOHMINMNKEI-AWEZNQCLSA-N 390.314 4.975 0 40 GJAB Cc1cc(-c2snnc2[C@H]2CCCN(CC[C@@H](C)c3ccc(C)o3)C2)on1 72396705 GYYQDWYCEHWADR-CJNGLKHVSA-N 386.521 4.776 0 40 GJAB Cc1cc(N)nc(S[C@H](C)C(=O)N2c3ccccc3Sc3ccccc32)n1 84114579 ABHFMCWXPZXYHB-CYBMUJFWSA-N 394.525 4.677 0 40 GJAB O=C(N[C@H]1COc2ccccc21)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 84579156 DKIYQUZFNBGUAN-KRWDZBQOSA-N 376.378 4.513 0 40 GJAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3ccnc(Cl)n3)cc2)n1 91695785 WTBLCWVDNXHLSV-UHFFFAOYSA-N 378.785 4.944 0 40 GJAB CCN1C(=O)CCc2cc(NC(=O)c3ccccc3SC(F)F)ccc21 96103555 SQSFAMJSEYKYLF-UHFFFAOYSA-N 376.428 4.553 0 40 GJAB CN(C(=O)c1cccc(Oc2ccccc2)c1)c1ncccc1Br 97086499 XCPAYVJEAGZYGC-UHFFFAOYSA-N 383.245 4.913 0 40 GJAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2COC(=O)CC[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C 100362803 IWMSSVYTWMLNDF-WCQDDIMOSA-N 388.548 4.593 0 40 GJAB O=C(c1cccc(-n2cccn2)c1)N1CCS[C@@H](c2ccccc2Cl)CC1 206997601 RJCXNBMGRUZTKY-HXUWFJFHSA-N 397.931 4.846 0 40 GJAB O=C(NCc1ccc(Cl)cc1)NCc1ccc(C(=O)c2ccsc2)s1 211085491 XCABVNUSSIVKRR-UHFFFAOYSA-N 390.917 4.693 0 40 GJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccc(OC)c(OC)c1 219303476 STGBFMCWHJIHQL-IEBWSBKVSA-N 385.504 4.664 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223106397 GGCAZBFGUKFZTH-NHCUHLMSSA-N 381.516 4.999 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1Cl 225305447 LQAIKRIYMLRJPN-UHFFFAOYSA-N 383.300 4.657 0 40 GJAB CC(C)N1N[C@](Cc2ccccc2)(c2ccc(-c3ccccc3)cc2)NC1=S 225351244 OOFSQIXOUYZGRG-XMMPIXPASA-N 387.552 4.852 0 40 GJAB Cc1cccc(-c2noc(CNC(=O)CCc3ccc(Cl)cc3Cl)n2)c1 225380449 MTUFERVWHDUBAW-UHFFFAOYSA-N 390.270 4.601 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@@H](CC)c2ccccc2)ccc1Cl 225481319 IXBOJGWZBIUPGE-KRWDZBQOSA-N 376.909 4.954 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225623307 AGLCFDMCQIMPGO-QFIPXVFZSA-N 378.557 4.721 0 40 GJAB Cc1nnc(SCc2ccc(Br)cc2)n1-c1ccc(F)cc1 409108561 VGDQZIYNEKOIRH-UHFFFAOYSA-N 378.270 4.770 0 40 GJAB Cc1n[nH]cc1C1CCN(C(=O)c2ccccc2Nc2ccc(F)cc2)CC1 585082187 YDMIPYANZRIVIH-UHFFFAOYSA-N 378.451 4.621 0 40 GJAB O[C@@H]1[C@@H](NCc2ccc(C(F)(F)F)cc2)CCC[C@H]1Oc1cccc(Cl)c1 585288626 FWYWFFCXCRBMFF-IPMKNSEASA-N 399.840 4.809 0 40 GJAB CSc1ccc(/C=C/C(=O)NC[C@H](c2ccsc2)n2nc(C)cc2C)cc1 618255361 BOEUQJKIXSUGCY-AQDCRGGLSA-N 397.569 4.702 0 40 GJAB C[C@H](NCc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1)c1ccsc1 1559786424 COGFVMRWCGMVOA-NSHDSACASA-N 385.489 4.703 0 40 GJAB Cc1nc(C)c(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)s1 1615120632 LUCUQPLFXAWEOL-ROUUACIJSA-N 387.524 4.561 0 40 GJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1cccc(C(=O)OC)c1 645420 NVGBJKOWBJNXOD-UHFFFAOYSA-N 378.428 4.559 0 40 GJAB COc1ccccc1-c1coc2cc(OC(=O)c3ccc(F)cc3)ccc2c1=O 1448167 JIMYXRSKKMPFRV-UHFFFAOYSA-N 390.366 4.827 0 40 GJAB biogenic COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 2130708 UOGVUQZHAFLJIR-AYAXAGRZSA-N 391.511 4.603 0 40 GJAB biogenic Cc1ccc(S(=O)(=O)NCC[C@@H](c2ccc(OC(C)C)cc2)C(C)C)cc1 2236428 HFSDVEYTSVAEDE-JOCHJYFZSA-N 389.561 4.890 0 40 GJAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)c1ccccc1 2265903 HGYYLMHCMNYSAB-UHFFFAOYSA-N 393.450 4.814 0 40 GJAB CCN(CC)CCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 2401374 NEEGPIWHBNKQLG-UHFFFAOYSA-N 385.577 4.863 0 40 GJAB CCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3ccc(C)cc3nc21 2417914 DYHRGZNZMWNIRV-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB C[C@@H]1CCc2c(C(=O)Nc3ccccc3I)csc2C1 2708122 OKVQEMAWCLWVGV-SNVBAGLBSA-N 397.281 4.730 0 40 GJAB Cc1nnc(NC(=O)CSc2c(-c3ccccc3)[nH]c3ccccc23)s1 2718349 WFPRVAHYIJLUIR-UHFFFAOYSA-N 380.498 4.726 0 40 GJAB Cc1cccc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)CSC3)c1C 3008335 HCGPZVNCTKBAAY-UHFFFAOYSA-N 385.439 4.766 0 40 GJAB Cc1ccccc1N1C(=O)CC(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 3298913 ZXNTWFYEYSBKMP-UHFFFAOYSA-N 381.888 4.836 0 40 GJAB Cc1sc2nc(-c3cccnc3)nc(NC[C@H](c3ccco3)N(C)C)c2c1C 3332926 BCXOLDUUFBWBRA-MRXNPFEDSA-N 393.516 4.678 0 40 GJAB O=C(CCN1c2ccccc2Sc2ccccc21)OCCN1CCCCC1 3352332 UBEWUHUJIYEHGZ-UHFFFAOYSA-N 382.529 4.709 0 40 GJAB c1ccc(-c2nnc(CSc3ncnc4sc5c(c34)CCCC5)o2)cc1 3486766 NGAOPLGRJHNVSX-UHFFFAOYSA-N 380.498 4.912 0 40 GJAB CCCSC1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccc(C)cc1 3511938 WVEQNJQXXYHBQR-GZTJUZNOSA-N 380.469 4.611 0 40 GJAB Cc1nc2c(ccc3nc(NC(=O)COc4ccc(Cl)cc4)sc32)s1 4174003 CWBYPSOHXNYIHK-UHFFFAOYSA-N 389.889 4.885 0 40 GJAB CCOc1ccccc1NC(=O)CSc1ccc(-c2ccc(Cl)cc2)nn1 4355528 FOSZABILKLGAIW-UHFFFAOYSA-N 399.903 4.927 0 40 GJAB O=C(Nc1c[nH]c2ccccc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5265499 WPICQDHHGLGOIT-UHFFFAOYSA-N 388.393 4.541 0 40 GJAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)n[nH]2)c1 5343504 LPWLQBZXXCSVMZ-UHFFFAOYSA-N 375.350 4.670 0 40 GJAB CC(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1 5545982 RPHFJGWHINDRFW-UHFFFAOYSA-N 377.532 4.913 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cc(F)c(F)cc1Cl 5830852 UYHSSGRCHJHUBK-JTQLQIEISA-N 377.774 4.836 0 40 GJAB C[C@@H](OC(=O)/C=C/c1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 7565375 WWIBQISRTJTPQA-BRADTZPFSA-N 396.443 4.533 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1C 7652550 AVFYJRYSKQCRFD-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB COCc1c(C(=O)Nc2nc(-c3cccnc3)cs2)sc2cccc(F)c12 12515579 ALTQNTGHAABNQL-UHFFFAOYSA-N 399.472 4.958 0 40 GJAB C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1nnc(-c2cccs2)o1 12588463 PYHGIDJCSSYALS-LLVKDONJSA-N 396.501 4.640 0 40 GJAB CCn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nc2ccccc21 12600709 KACAGAZGDWINEV-UHFFFAOYSA-N 381.545 4.976 0 40 GJAB CC(C)Sc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 12801999 FZFOWHJVCIDFQY-UHFFFAOYSA-N 375.291 4.649 0 40 GJAB COc1ccc(CNC(=O)Cc2sc(C)nc2-c2cc(C)sc2C)cc1 12923797 GEKSWULETIMBDP-UHFFFAOYSA-N 386.542 4.664 0 40 GJAB COc1cc(/C=C/C(=O)Nc2cc(Cl)cc3cccnc23)cc(OC)c1OC 13021451 MICKLPIHXHIHOZ-VOTSOKGWSA-N 398.846 4.566 0 40 GJAB Cc1cc(C)cc(CSCC(=O)NCCSCc2ccccc2F)c1 13631776 OMDZRCLVOIWUHI-UHFFFAOYSA-N 377.550 4.725 0 40 GJAB Cc1cccc2nc(C(=O)Nc3nc4ccc(SC(F)F)cc4s3)cn12 15308869 SKMQOXLFOQBNAF-UHFFFAOYSA-N 390.440 4.819 0 40 GJAB Fc1ccccc1CSCCNC(=S)Nc1cccc(Br)c1 16944145 APMHSMMHWJLJMJ-UHFFFAOYSA-N 399.354 4.808 0 40 GJAB CCC(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 17076887 BUOHYJLHGUKSAE-UHFFFAOYSA-N 375.906 4.840 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 19932148 RRNSKDSFLDHOIH-UHFFFAOYSA-N 385.920 4.633 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc2c(C)cccc2s1 21589526 GNOMZJQLPRFEGW-QGZVFWFLSA-N 377.469 4.507 0 40 GJAB Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)c2c1 22574134 BTJDKBMXKBXTJF-UHFFFAOYSA-N 388.492 4.988 0 40 GJAB C[C@@H](c1ccccc1)N1CCN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 22914313 CUXKYTFOCYWFKB-IRXDYDNUSA-N 396.922 4.830 0 40 GJAB COc1ccc(-c2nn3c(Nc4ccc(F)cc4)cc(C)nc3c2C)cc1OC 23118881 OPXQFNHRNVSECK-UHFFFAOYSA-N 392.434 4.913 0 40 GJAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1C 26461427 BNQXQKYFECTKIJ-UHFFFAOYSA-N 382.481 4.959 0 40 GJAB CC(C)c1ccc(OCC(=O)N(Cc2cccc(F)c2)c2ccccn2)cc1 28292523 PTUIBTCBIHVDES-UHFFFAOYSA-N 378.447 4.956 0 40 GJAB Nc1c(Cl)c(Cl)nc(C(=O)OCc2cc(-c3ccccc3)no2)c1Cl 29843870 PHDKJMAWZSTYPL-UHFFFAOYSA-N 398.633 4.636 0 40 GJAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c(Br)c1 30847525 FRWSTQBAYYYESS-CYBMUJFWSA-N 394.284 4.968 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1cnn(Cc2ccc(F)cc2Cl)c1 32609687 AYNZITZABPTGSI-UHFFFAOYSA-N 378.234 4.559 0 40 GJAB Cc1sc2nc(SCCOc3ccccc3)n(CC(C)C)c(=O)c2c1C 32945211 BTEAWTWDDAZYCQ-UHFFFAOYSA-N 388.558 4.902 0 40 GJAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(OC(C)C)cc3)cs2)cc1 33326391 JIRFJMPUHXCIQT-UHFFFAOYSA-N 396.512 4.999 0 40 GJAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 36562496 GXINYEFWEDBFHZ-OAHLLOKOSA-N 382.685 4.749 0 40 GJAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 39980629 SROSGLFGQDFPTI-JLTOFOAXSA-N 398.890 4.718 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(Cc1c(F)cccc1Cl)C1CC1 40049079 UHXDNWBQEMGNCT-UHFFFAOYSA-N 391.918 4.682 0 40 GJAB C[C@@H]1CCCC[C@@H]1n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 40396582 ADHNOXJVLABPMX-KUHUBIRLSA-N 376.435 4.602 0 40 GJAB CC(C)NC(=O)CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1 44087231 NAPVOPSDGRDMFI-UHFFFAOYSA-N 385.920 4.809 0 40 GJAB Cc1cc([C@H](C)NC(=O)Nc2cc(N3CCCC3=O)ccc2F)c(C)s1 48145939 GFIYCCBBLAVPLD-LBPRGKRZSA-N 375.469 4.514 0 40 GJAB O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)Nc1cccc(Cl)c1 57486600 FVDDIWFJNZLQGZ-UHFFFAOYSA-N 396.809 4.636 0 40 GJAB CC(C)OCCCn1c(SCc2ccccc2F)nc2ccccc2c1=O 67259117 LECKFPPVAORYTN-UHFFFAOYSA-N 386.492 4.643 0 40 GJAB O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(Cc2c(F)cccc2Cl)CC1 69778982 XVMKAGGQKBKHQW-OAQYLSRUSA-N 392.946 4.872 0 40 GJAB CCOc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](O)/C(=C/c3cnn(C)c3)C[C@H]12 71782826 BXJRUGUVBIWBJI-LBVSERNTSA-N 392.543 4.729 0 40 GJAB COc1ccc2ccccc2c1CNC[C@H]1CCN(c2ccc(F)c(F)c2)C1 83970448 JFZIKKJDNBJHQC-MRXNPFEDSA-N 382.454 4.743 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1c1cnc2ccccc2n1 84605629 JAMZROTYUQPHJU-KRWDZBQOSA-N 387.270 4.544 0 40 GJAB COc1cccc2cc(C(=O)NCc3sc(-c4cccs4)nc3C)oc12 90592705 DJXRXPQBBLDCHG-UHFFFAOYSA-N 384.482 4.865 0 40 GJAB CC(C)(C)OC(=O)N1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 98181701 PJFQIERERLIRHB-UHFFFAOYSA-N 394.471 4.793 0 40 GJAB COc1ccc(CCC(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 206992772 XVYAMPVQENBONV-HXUWFJFHSA-N 389.948 4.988 0 40 GJAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1Cc1ccccc1Br 214975720 HZEVYUASBAVJRH-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1OC 216476411 ZAJSLOXSHBPGNX-OAQYLSRUSA-N 399.531 4.617 0 40 GJAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C(C)C 222839573 AMQHYZPOYHWDMA-SFTDATJTSA-N 376.529 4.562 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC(C(C)C)C(C)C)cc1 223236568 AXULNJXMCSNIHX-UYRXBGFRSA-N 384.545 4.624 0 40 GJAB Cc1cccc(OCCNC(=O)c2ccccc2OCc2ccccc2)c1C 223937413 XVNYUIBRIAVATJ-UHFFFAOYSA-N 375.468 4.691 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224442412 OUGXSZXAMSRDHW-IBGZPJMESA-N 389.923 4.990 0 40 GJAB C[C@@H](NC(=S)Nc1nc(Cl)cc(Oc2ccccc2)n1)c1ccccc1 225964173 PZMJMNOIPYJRNS-CYBMUJFWSA-N 384.892 4.970 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(N)cc2Br)o1 226304735 MSGMRUFGLHWUIT-TXEJJXNPSA-N 377.282 4.694 0 40 GJAB O=C(O)CCc1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226342193 NNSIIRIMBJWYQI-UHFFFAOYSA-N 387.632 4.838 0 40 GJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)c2ccccc2)cc1 408679139 VDKLHMFXMSXVKG-QGZVFWFLSA-N 398.462 4.675 0 40 GJAB COc1ccc(NC(=O)N2CCCC(F)(F)CC2)c(OCc2ccccc2)c1 626528109 DQLNXLIIRMYYGD-UHFFFAOYSA-N 390.430 4.927 0 40 GJAB COc1ccc(Cl)cc1Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 756746 RFEQWCYGZRNGLW-UHFFFAOYSA-N 386.242 4.875 0 40 GJAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccccc3F)n12 902986 GEURDFRVMQRXHV-UHFFFAOYSA-N 394.475 4.678 0 40 GJAB CCN(CC)c1nc(Nc2cc(C)ccc2C)nc(Nc2ccccc2OC)n1 1061549 PAQHHDDPURQNOT-UHFFFAOYSA-N 392.507 4.830 0 40 GJAB CCOc1ccc2nc(SCC(=O)N3CCCc4ccccc43)sc2c1 1100779 XYKZTNHZVZLIOH-UHFFFAOYSA-N 384.526 4.767 0 40 GJAB CC(=O)Nc1cccc(NC(=O)CSc2nc3c(C)cccc3cc2C)c1 1329380 BZQJTAWHJLSSBE-UHFFFAOYSA-N 379.485 4.541 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccco2)sc(C)c1-c1ccc(OC)cc1 1465570 GBJQVBZZWRTZLU-UHFFFAOYSA-N 385.441 4.754 0 40 GJAB O=C1O[C@@](Oc2ccc(Br)cc2)(c2ccccc2)c2ccccc21 1646451 UHKDOMLVZWOWIM-FQEVSTJZSA-N 381.225 4.900 0 40 GJAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCc4cccnc4)c23)CO1 2222417 ARTUCHMQHBSPTR-LJQANCHMSA-N 386.546 4.662 0 40 GJAB CC[C@H](C)C(=O)NC(Nc1ccccc1Cl)(C(F)(F)F)C(F)(F)F 2257262 PSXHLVPSIBVITL-QMMMGPOBSA-N 376.728 4.735 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)s2)cc1 3227478 DYQVKQOMMUVLKM-UHFFFAOYSA-N 399.475 4.997 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccccc3F)ccc21 3234858 SFXNSTZMEGGDOP-UHFFFAOYSA-N 390.414 4.749 0 40 GJAB aggregator O=C(/C=C/c1ccc(F)cc1)OCC(=O)N(C1CCCCC1)C1CCCCC1 3272695 KIGBSOVQNHUDBI-DTQAZKPQSA-N 387.495 4.876 0 40 GJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 4911474 OBYDXPYSKGRFJR-MRXNPFEDSA-N 399.487 4.600 0 40 GJAB C[C@@H]1C[C@@H](OC(=O)[C@H](OC(=O)c2cccnc2)c2ccccc2)CC(C)(C)C1 6031482 JVISQUVIQOJOOQ-NSISKUIASA-N 381.472 4.738 0 40 GJAB in-man CC(C)CC(=O)Nc1ccc(C2=NN=C(Nc3ccccc3F)SC2)cc1 6049395 BLNYCTNCPVZJAN-UHFFFAOYSA-N 384.480 4.729 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1 6233935 FMQCUNKZQZWXRF-GOSISDBHSA-N 393.487 4.558 0 40 GJAB CCOC(=O)c1sc2[nH]c(/C=C/c3ccc(C(C)C)cc3)nc(=O)c2c1C 6588844 JWUYWLUUSOIPBH-DHZHZOJOSA-N 382.485 4.764 0 40 GJAB Cc1ccc(Sc2ncccc2C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 6607298 HYVNJTYOZPMMGI-UHFFFAOYSA-N 383.561 4.580 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)NCCC3=CCCCC3)s2)cc1OC 6759799 SQKSCLLENJYNLK-UHFFFAOYSA-N 386.517 4.756 0 40 GJAB Cc1nnc(NC(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)s1 7701395 GKXFTLUITODALI-UHFFFAOYSA-N 394.283 4.985 0 40 GJAB Cc1cc(C)c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c(Cl)c1 7927471 WKUMUFRSQWPHDL-INIZCTEOSA-N 392.952 4.638 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 7929241 ULKFVGRDZRTSBD-GOSISDBHSA-N 379.500 4.950 0 40 GJAB Cc1cccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1C 7929471 LESDJKSFXFOZRA-CYBMUJFWSA-N 378.255 4.569 0 40 GJAB COc1ccc(COC(=O)C2c3ccccc3Oc3ccccc32)cc1OC 7970102 RGUNEQMZYFHLNP-UHFFFAOYSA-N 376.408 4.685 0 40 GJAB CCOc1cc(CNCCCNC)cc(Cl)c1OCc1ccccc1Cl 8254112 DVGGLWJXUHBCHD-UHFFFAOYSA-N 397.346 4.670 0 40 GJAB Cc1nc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc2n1-c1ccccc1 8391084 VTTMQGNAQOMKCY-HXUWFJFHSA-N 383.451 4.588 0 40 GJAB Cc1sc2nc([C@H](C)Sc3nnc(NC(C)(C)C)s3)[nH]c(=O)c2c1C 8941766 LSKYUTROFGOLKQ-VIFPVBQESA-N 395.579 4.517 0 40 GJAB Fc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1Br 9050351 CMHOSGKOVDFKPD-UHFFFAOYSA-N 381.274 4.802 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 9614693 SOIFMAPHCIBHND-UHFFFAOYSA-N 386.879 4.663 0 40 GJAB COc1ccc(CCCC(=O)Nc2ccc(Br)cc2F)cc1C 9615094 ONYJWNSJYREQHK-UHFFFAOYSA-N 380.257 4.867 0 40 GJAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 12111328 POGADVRLTOXVMM-UHFFFAOYSA-N 381.432 4.565 0 40 GJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2c(C)oc3ccccc23)CC1 12328158 NKAIMILGTOPRMA-UHFFFAOYSA-N 380.463 4.508 0 40 GJAB COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OCc1ccc(F)cc1 12371672 PJEZJABFFCXOII-INIZCTEOSA-N 383.444 4.949 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn23)cc1 12627235 YATZIAZAXPOVGX-UHFFFAOYSA-N 399.450 4.530 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 12742698 LKNZQDGZIGTENY-OAQYLSRUSA-N 389.407 4.728 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(OC(F)(F)F)cc1 12748425 IQNQTWBZCLDYDD-UHFFFAOYSA-N 398.431 4.629 0 40 GJAB COc1ccc2cc(CN(C)[C@H](C)C(=O)N[C@@H](C)c3ccccc3)ccc2c1 12768325 CIDOGYBHEOKVBE-ZWKOTPCHSA-N 376.500 4.546 0 40 GJAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)C1 12796236 SJVYFGFPOHOFEG-LLVKDONJSA-N 384.332 4.934 0 40 GJAB COc1ccc2c(C)c(CCC(=O)N[C@H](C)c3cc(C)ccc3C)c(=O)oc2c1 12929154 QSLRPANJGNBGJN-QGZVFWFLSA-N 393.483 4.537 0 40 GJAB COc1c(Br)cc(Cl)cc1NC(=O)COc1cccc(C)c1C 12975328 OSFRLASHSSHHKF-UHFFFAOYSA-N 398.684 4.745 0 40 GJAB COc1ccc(NC(=O)/C=C/c2cc(C)n(-c3ccnn3C(C)C)c2C)cc1 12984805 QADAJNUSLXOEQK-IZZDOVSWSA-N 378.476 4.532 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 13002414 FJRVZIRZRBUWOI-QGZVFWFLSA-N 390.439 4.563 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccc(C)o2)c1 14140672 YMGQYHWBKSVYPS-QFIPXVFZSA-N 376.456 4.602 0 40 GJAB COc1ccc(OC)c(-c2cs/c(=N\c3cccnc3)n2C2CCCC2)c1 15978790 BDMXVMAAUQXCBQ-LNVKXUELSA-N 381.501 4.976 0 40 GJAB CCC[C@H](C(=O)Nc1cc2c(cc1Br)OCCO2)c1ccccc1 16008724 GMLUPULKGOQUHT-AWEZNQCLSA-N 390.277 4.743 0 40 GJAB CCN(CC)CCC[C@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 16740435 PAQFOXWZZIFJAB-SFHVURJKSA-N 390.531 4.537 0 40 GJAB CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)noc2n1 19462813 IEQZWMFUQHHXDS-DGCLKSJQSA-N 395.425 4.727 0 40 GJAB C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(F)cc1 20460621 ANFGHGUOUCGUAM-GOSISDBHSA-N 388.486 4.875 0 40 GJAB Cn1ncc2c(Nc3ccc(F)cc3)nc(NCc3ccccc3Cl)nc21 21873612 BYBNXSHPCPJJSL-UHFFFAOYSA-N 382.830 4.512 0 40 GJAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2cccs2)cc1 22131690 ASQHTQYXINGXFD-GOSISDBHSA-N 384.545 4.529 0 40 GJAB COc1ccc(Cl)cc1C(=O)NCc1cc(-c2cc3ccccc3o2)on1 22768700 OTYDQAPHAFYJPL-UHFFFAOYSA-N 382.803 4.680 0 40 GJAB O=C(NCCC(c1ccccc1)c1ccccc1)N(Cc1ccccn1)C1CC1 24638147 YSAVNVFVMLQBAY-UHFFFAOYSA-N 385.511 4.978 0 40 GJAB O=C(c1csc2c1CCCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 27153951 UDZZJLJGJXATLD-GOSISDBHSA-N 383.513 4.766 0 40 GJAB COc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)c1 27584076 CIEOKLNBSHYFQK-NRFANRHFSA-N 386.923 4.696 0 40 GJAB biogenic Cc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 28292185 NJZHIXOZGJHJHI-SFHVURJKSA-N 391.515 4.943 0 40 GJAB Cc1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1NC(=O)c1ccccc1 29046022 HGEGQFZJEVVNDT-UHFFFAOYSA-N 377.469 4.834 0 40 GJAB Cc1ccc(C(=O)Nc2nc(COc3ccc(Cl)cc3Cl)cs2)cn1 29576124 PXQKTYNQVITAJN-UHFFFAOYSA-N 394.283 4.985 0 40 GJAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 38834231 AQUIIUDFYLWCNA-CQSZACIVSA-N 393.314 4.853 0 40 GJAB O=C(OCC(F)(F)F)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 40073400 SGLXBZWHCHMGTP-UHFFFAOYSA-N 379.165 4.776 0 40 GJAB C[C@@H](NC(=O)/C=C/c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 43759731 GWVPTHDAQLEMFV-CUXKMMBLSA-N 385.389 4.782 0 40 GJAB Cc1ccc(-c2nc(NNC(=S)NCc3ccccc3)nc3ccccc23)cc1 46085318 YSWIQBIHECLFBW-UHFFFAOYSA-N 399.523 4.596 0 40 GJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc3ccccc3c2)c1 52410709 ZXFYUQAOQAZLLZ-UHFFFAOYSA-N 382.847 4.859 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c(C)c1 59227388 IMMPRGFUVOFDGU-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CCOc1ccc(NC(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)cc1 67257252 OBKMITMBDNRYNX-UHFFFAOYSA-N 397.475 4.721 0 40 GJAB O=C(NCc1csc(C2CC2)n1)N[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 69957684 GPSXTHQRXXUDLF-GXTWGEPZSA-N 382.316 4.683 0 40 GJAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414287 BABXGALUVXFVBW-UHFFFAOYSA-N 384.501 4.866 0 40 GJAB CC(C)c1ccc(-c2nc(C(=O)N3CCc4ccc(O)cc4C3)cs2)cc1 89893454 JGEMZSPEPXMLAL-UHFFFAOYSA-N 378.497 4.838 0 40 GJAB Cc1sc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccc(C(C)C)cc1 102043571 HWHYSSATNZEECJ-XSLAGTTESA-N 398.528 4.927 0 40 GJAB Cc1ccc(S(=O)(=O)N2c3ccccc3CCN2/C=C\c2ccccc2)cc1 104219742 VRFPLHHQZPHNSG-ICFOKQHNSA-N 390.508 4.634 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219616209 MFTJKURHCKAGJN-GOSISDBHSA-N 399.878 4.514 0 40 GJAB CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccccc1 224671290 IOEOROVCVUYBAI-UHFFFAOYSA-N 381.541 4.980 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225167268 ZLVJFRAGODXNQL-INIZCTEOSA-N 388.464 4.579 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(C)c(C)c1 225177227 GHGLIJMELMXKSK-QHCPKHFHSA-N 381.516 4.535 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)c1 225365853 QDLAEZSHGHYPPX-GFCCVEGCSA-N 382.287 4.821 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccccc1Cl 225685479 WPTGKNLQXPNXJG-INIZCTEOSA-N 376.909 4.937 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)c1 225704512 LBCNSCNNVSEFQI-LJQANCHMSA-N 398.528 4.544 0 40 GJAB CCc1cc(Br)cc(C)c1NC(=O)c1cc(OC)cc(OC)c1 226093154 UHGZBGQGRGNMPK-UHFFFAOYSA-N 378.266 4.589 0 40 GJAB C/C=C1\CN2CC[C@]34C(=C(/C=N/Nc5ccccc5)[C@H]1C[C@@H]23)Nc1ccccc14 227057239 OJZNJHNPLYYHOW-PTBCUVHTSA-N 382.511 4.756 0 40 GJAB O=C(C(=O)N1CCCCC1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408571942 QAUHHPUHBLQNSN-UHFFFAOYSA-N 380.875 4.538 0 40 GJAB Fc1cccc(Cl)c1COc1ccc(C(=S)NC[C@H]2CCCO2)cc1 408575253 NKIHWTGKPVXQJD-OAHLLOKOSA-N 379.884 4.502 0 40 GJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C 408623736 PPMPKJNHIDQJQH-UHFFFAOYSA-N 396.468 4.547 0 40 GJAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)c1 408698162 LPOYZKAJSJYLBQ-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CC(C)CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2s1 408750840 SIHZVJIXSOBJDL-KGLIPLIRSA-N 392.546 4.874 0 40 GJAB Cc1cc2nc3s/c(=C\c4cccc(Oc5ccccc5)c4)c(=O)n3c2cc1C 409392981 OMTNZRNUICPGMP-HMAPJEAMSA-N 398.487 4.866 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)Nc1ccc(OC(F)F)c2ncccc12 518173946 VCEUMMWWXXSPJE-UHFFFAOYSA-N 396.397 4.682 0 40 GJAB CC(C)c1cc(C(=O)Nc2cccc(CCN(C)C3CC3)c2)nn1C(C)(C)C 539328064 AAZYRNPLIRTMNY-UHFFFAOYSA-N 382.552 4.651 0 40 GJAB C[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccc(F)c2ccccc12 561629174 MNJFCJUWTWAESA-QGZVFWFLSA-N 387.458 4.975 0 40 GJAB CCn1ccc(CNC(=O)c2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)n1 622702881 FPUFOEHUAYISJB-UHFFFAOYSA-N 392.261 4.946 0 40 GJAB C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1ocnc1C(F)F 626214112 BRATXWHMJZJUJM-KBXCAEBGSA-N 382.410 4.831 0 40 GJAB C[C@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1 682479 IBGCTMSFAXDDHR-JTQLQIEISA-N 383.083 4.703 0 40 GJAB CCOC(=O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C)cc1C 976784 UKEYGCJJYNIAFW-UHFFFAOYSA-N 379.456 4.700 0 40 GJAB CCN1c2ccccc2C[C@](CCN(C(C)C)C(C)C)(C(N)=O)c2ccccc21 1565845 DANNGFZWNDZQKW-VWLOTQADSA-N 393.575 4.633 0 40 GJAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(Br)cc3)[nH]c2c1 2265976 MLJNRILQSFQXEX-UHFFFAOYSA-N 379.641 4.845 0 40 GJAB CCCCCCn1c(O)c(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc21 2270643 ADMZRHGCWZFNET-UHFFFAOYSA-N 382.435 4.679 0 40 GJAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nc2ccccc21 4289496 PPRFBPNVZRXFOF-NSHDSACASA-N 377.872 4.968 0 40 GJAB Cc1cccc(C)c1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2cnccn12 4597412 HLQUEIUIYXVGCM-UHFFFAOYSA-N 399.498 4.593 0 40 GJAB O[C@@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1Br 4625887 PVBRHYMEKRKUEI-FQEVSTJZSA-N 393.284 4.929 0 40 GJAB O=C(NC[C@H]1CCCO1)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5487218 VIHPEDDLSVUTHX-RTBURBONSA-N 390.310 4.595 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)Nc2nc3ccccc3s2)c1 7767008 SIVXBUNJQOVUFF-UHFFFAOYSA-N 379.441 4.732 0 40 GJAB O=C(NCc1ccco1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 7910576 YXFFZRLMAQQPSH-UHFFFAOYSA-N 377.831 4.716 0 40 GJAB O=C(CNC(=O)c1sc2ccccc2c1Cl)OC/C=C/c1ccccc1 7988655 RETUHCFLYUFYDT-RMKNXTFCSA-N 385.872 4.541 0 40 GJAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)C[C@H]3OC(=O)c4ccccc43)n2c1 7989495 UNOKQCWQOYSGJS-LJQANCHMSA-N 397.434 4.550 0 40 GJAB CSc1ccccc1NC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 10139805 TWUIWRVRHRMNDQ-UHFFFAOYSA-N 379.529 4.708 0 40 GJAB O=C(O)[C@H]1CCCC[C@H]1C(=O)NCc1ccc(Oc2ccc(Cl)cc2)cc1 11994448 SYHZJASQODJPCM-MOPGFXCFSA-N 387.863 4.640 0 40 GJAB CCN(C(=O)c1ccc(F)cc1Br)c1nc2ccccc2s1 12897943 TUPQFJCECHSLCW-UHFFFAOYSA-N 379.254 4.865 0 40 GJAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 12909550 RCIJISLSPWZLAV-UHFFFAOYSA-N 396.874 4.928 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccc(Cl)cc1Cl 13695900 JETFIFOZNQLDBS-UHFFFAOYSA-N 375.255 4.545 0 40 GJAB CCn1nc(C)cc1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 13699594 KRKYNJRBNKGTLR-UHFFFAOYSA-N 387.317 4.956 0 40 GJAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccn2)cc1C 13803528 RTPYRFHFZMAOJK-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB c1ccc(Cn2c(SCc3nc(-c4ccccc4)no3)nnc2C2CC2)cc1 14086470 LRIIITSOZZHOBO-UHFFFAOYSA-N 389.484 4.546 0 40 GJAB C[C@H](NC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)s1)c1ccccc1 15906267 FBLUSQJTSIPKSV-IYBDPMFKSA-N 378.497 4.730 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1ccc(F)c(F)c1)N[C@H](c1ncccc1C)C2 19237831 YEJFKXIIFKTWLA-CVDCTZTESA-N 396.437 4.662 0 40 GJAB O=C(c1ccc(OCc2cscn2)cc1)N1CCCSc2ccccc21 19358331 JUWRBLXRLLOSRM-UHFFFAOYSA-N 382.510 4.865 0 40 GJAB CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1cccs1 22076366 PCJBQSFDISSIMS-FQEVSTJZSA-N 383.513 4.549 0 40 GJAB CCn1cc(C(=O)Nc2c(C)cccc2C)c(=O)c2cc(C(F)(F)F)ccc21 22236729 MKURTFHBZDIZSJ-UHFFFAOYSA-N 388.389 4.909 0 40 GJAB O=C(CCCc1nc2ccccc2s1)Nc1cccc(Cn2ccnc2)c1 25169387 YPQQQDCTGJGMKX-UHFFFAOYSA-N 376.485 4.503 0 40 GJAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 30315144 WTQCZEXMYBMMNE-HNNXBMFYSA-N 397.906 4.917 0 40 GJAB Cc1ncc(NC(=O)Cc2cccs2)n1-c1nc(-c2ccccc2)cs1 35682901 FJVHLWRRKPAEDX-UHFFFAOYSA-N 380.498 4.547 0 40 GJAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 40103402 YCSOXMWDWKDOHX-AWEZNQCLSA-N 391.874 4.541 0 40 GJAB O=C(CSCc1coc(-c2ccccc2)n1)OCc1nc2ccccc2s1 40140486 BWYUUSYYYNKEEA-UHFFFAOYSA-N 396.493 4.928 0 40 GJAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cc(C)ccc1C 41076942 YOFLNANPZBQMDE-UHFFFAOYSA-N 377.488 4.816 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1CCCC[C@H]1C(F)(F)F 44874325 AKQKBHFLQDGQJS-VXGBXAGGSA-N 398.406 4.846 0 40 GJAB COc1ccc([C@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1OC 44900373 MBJHHCSLLYNKAN-ZDUSSCGKSA-N 379.909 4.717 0 40 GJAB O=C(CSCc1ccncc1)Nc1cccc(COc2cccc(F)c2)c1 48268405 POXRUUBUWOUSBQ-UHFFFAOYSA-N 382.460 4.672 0 40 GJAB Cc1ccc(NC(=O)c2cccc(CSc3nccn3C)c2)c2cccnc12 58161460 VCPQFGNVCAHUEW-UHFFFAOYSA-N 388.496 4.821 0 40 GJAB Cc1cccc(-c2c[nH]c3c(SCC(=O)Nc4ccccc4F)ncnc23)c1 65113689 HLQQFCQGQKNZAV-UHFFFAOYSA-N 392.459 4.803 0 40 GJAB C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Oc2cccnc2)CC(C)(C)O1 65466590 ZBHFGXRLCKIUTB-CYBMUJFWSA-N 375.856 4.559 0 40 GJAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214616 LHDWQAUWHMVLGZ-MRXNPFEDSA-N 391.512 4.915 0 40 GJAB O=C(C[C@H]1C=CCC1)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 72288088 FBAHTTUWBQWXAE-KRWDZBQOSA-N 383.875 4.574 0 40 GJAB CN1CCC(Oc2ccc(NC(=O)CCc3cccc4ccccc34)cc2)CC1 222681099 RXDPEDPUOBIYDV-UHFFFAOYSA-N 388.511 4.884 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)CSCc2ccccc2F)cc1 222710199 PNROJXVFHUSEQQ-FQEVSTJZSA-N 375.509 4.971 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1cc(C)cc(C)c1 224108130 BWOYGLOBQDNULQ-HXUWFJFHSA-N 375.896 4.618 0 40 GJAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1 224359784 XATAIHPGEIZPIJ-UHFFFAOYSA-N 375.468 4.903 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225066776 AZQDTRRDLJDECN-GOSISDBHSA-N 398.528 4.694 0 40 GJAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1 225334247 XCAFWZHLMHHBAG-UXHICEINSA-N 379.485 4.639 0 40 GJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225821904 KDZHADUIIPGUSL-YCRPNKLZSA-N 379.497 4.574 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 243100123 JATMVSWCAHFHMK-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB Cc1cccc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)n1 257257753 KQYIYRKPHBCBQH-KRWDZBQOSA-N 376.456 4.728 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3)n2)cc1 408694009 HBOQMIIQYXHCLN-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB O=C(c1ccoc1)N1CCC(N[C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 606442231 ISJIBJNDXOLLJQ-IBGZPJMESA-N 392.421 4.644 0 40 GJAB COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Cc2cnccc2C)c1 613439310 XECOVPCVRMYGPD-NOZRDPDXSA-N 386.495 4.699 0 40 GJAB CCC[C@@]1(CO)CCCN1C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 622558203 GKENNLJMZZMXPW-SFHVURJKSA-N 399.343 4.884 0 40 GJAB O=C(Nc1ccc(F)cc1-c1ccc(Cl)cc1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 665984700 SFXUHMQFFRKDKE-AGKSTNPPSA-N 388.870 4.771 0 40 GJAB COc1ccc2ccccc2c1CN(C(=O)Cc1cscn1)C1CCCC1 668114724 BJDHOLISEOXMJJ-UHFFFAOYSA-N 380.513 4.819 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(Br)c1 710854 QIKCTEXFDFDZNU-UHFFFAOYSA-N 382.323 4.856 0 40 GJAB CC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccccc3C)cc12 944065 XSSLXASDMDBYIW-UHFFFAOYSA-N 377.849 4.706 0 40 GJAB COC(=O)c1sccc1-c1ccc(COC(=O)c2ccc(Cl)cc2)o1 1393410 RAWDQUKCJIPGLB-UHFFFAOYSA-N 376.817 4.805 0 40 GJAB Cc1cc(C)cc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c1 2401043 GSMCQNBNQZOVOD-UHFFFAOYSA-N 386.521 4.560 0 40 GJAB CCCn1nnc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 2622234 ZIVDXFBTSVNRIJ-UHFFFAOYSA-N 392.290 4.581 0 40 GJAB CCCc1nc2ccccc2c(C(=O)OCc2cc(C(=O)OC)c(C)o2)c1CC 2634996 VHNQMZJUSSBOBU-UHFFFAOYSA-N 395.455 4.795 0 40 GJAB Cc1ccc(-n2c(SCc3ccc(F)cc3)nc3c(c2=O)SCC3)cc1 2719777 NVTATZJRWPQOCD-UHFFFAOYSA-N 384.501 4.621 0 40 GJAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Br)cc1 2756166 HFMBZVBYGWPGFG-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB O=C(OCc1nnc(-c2ccccc2Br)o1)c1ccc(Cl)cc1 3512166 IKBBZVDDZSIMMV-UHFFFAOYSA-N 393.624 4.510 0 40 GJAB COc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)c(OC)c1 3517151 ZHKPIVAGLDVGNR-UHFFFAOYSA-N 390.233 4.773 0 40 GJAB O=C(CSc1nnc(Nc2ccccc2)s1)NC1CCCCCCC1 3529047 NISUCPDIHJZCHE-UHFFFAOYSA-N 376.551 4.603 0 40 GJAB Cc1cc(C)cc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1 4585492 YCOIAVJVCULMNZ-UHFFFAOYSA-N 383.451 4.563 0 40 GJAB CCCCN(Cc1ccccc1)C(=O)/C(=C\c1ccccc1)n1ccccc1=O 4616623 FPYMZFJUWSTNOB-FCDQGJHFSA-N 386.495 4.675 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CCCc3ccccc32)cc1 5442847 OHUUHYQPDQJGEC-HSZRJFAPSA-N 390.483 4.607 0 40 GJAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCC(=O)N(CC)CC)CCC3 5548459 FQSVILXWDDRZLR-UHFFFAOYSA-N 399.531 4.652 0 40 GJAB Cc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)cnn23)cc1 5562024 FGJQURZMDRRXBK-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB Cc1cccc(COc2c(Br)cc(C=O)cc2Br)c1 6216891 RLBLFJWYUOWHNV-UHFFFAOYSA-N 384.067 4.912 0 40 GJAB CCc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(CC)CC)c3N2)cc1 6759776 VNEAOSQSBMZIFD-DLBZAZTESA-N 394.441 4.588 0 40 GJAB COc1cc(CNc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 6964955 UJUJYMHYBUKFKH-UHFFFAOYSA-N 390.483 4.942 0 40 GJAB CC[C@@H](C)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 8325886 QNVSNRGMNRSHKL-CQSZACIVSA-N 378.310 4.925 0 40 GJAB CCCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)c1 8845825 MWYIOXNSKMWRDM-JOCHJYFZSA-N 391.471 4.526 0 40 GJAB Cc1ccc([C@@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2Cc2cccnc2)cc1 8846230 ARGCSCOYTKZWGX-JOCHJYFZSA-N 396.446 4.550 0 40 GJAB C=C1c2ccccc2N=C(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)N1C 9740233 GQJFMYKTZFDQAR-HNNXBMFYSA-N 379.485 4.553 0 40 GJAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(F)cc1Br 10996666 OEHPOVZKKYUQLC-UHFFFAOYSA-N 388.236 4.550 0 40 GJAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ncoc1-c1ccccc1F 12115143 QIZOAYXDKGESSC-UHFFFAOYSA-N 379.435 4.719 0 40 GJAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(C)c(Cl)c3)c(=O)oc2c1 12460217 QZNGQEOKHVFKRS-UHFFFAOYSA-N 385.847 4.643 0 40 GJAB Cc1sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)nc1-c1ccc(F)cc1 12734756 LSAKVZOBHIOUGU-YCRREMRBSA-N 382.416 4.638 0 40 GJAB CCC[C@@H](NC(=O)c1ccccc1I)c1ccccc1 12787713 MGZTUZSMEMOTGY-MRXNPFEDSA-N 379.241 4.562 0 40 GJAB Cc1nn(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c(=O)c2ccccc12 12815685 JROYDLKGKIDOCA-QHCPKHFHSA-N 387.458 4.523 0 40 GJAB CC(=O)N(c1nnc(SC(c2ccccc2)c2ccccc2)s1)C1CC1 13001572 OSAAZBBBMOAMKW-UHFFFAOYSA-N 381.526 4.935 0 40 GJAB Cc1nc2cc(NC(=O)c3ccc(OCc4csc(C)n4)cc3)ccc2o1 15601595 IKANZELCUZIDBS-UHFFFAOYSA-N 379.441 4.732 0 40 GJAB Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc(-c3cccs3)cs2)n1 17012033 IAFRFZBZQDGYOF-UHFFFAOYSA-N 398.488 4.686 0 40 GJAB CCCCc1ccc2[nH]/c(=N\C(=S)NC(=O)c3cc(C)cc(C)c3)sc2c1 17081367 KFIIGSPJASIWHE-UHFFFAOYSA-N 397.569 4.804 0 40 GJAB Oc1ccc(Br)cc1-c1nc2cnccn2c1NC1CCCCC1 18084959 FWKJUAIFSJKLGR-UHFFFAOYSA-N 387.281 4.609 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc2ccccc12 20460103 WDZUBXXXKSRKCU-NRFANRHFSA-N 390.483 4.776 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC1CCC(C)CC1 20910344 OTHKYJWBWUIFHH-UHFFFAOYSA-N 380.319 4.855 0 40 GJAB Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(Cl)cc3)c2c1C 21872630 QLEDOGWMSJXLCZ-UHFFFAOYSA-N 389.908 4.586 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)Cc1csc(-c2ccsc2)n1 21937183 KTOBIIFVRWANJZ-UHFFFAOYSA-N 385.539 4.682 0 40 GJAB O=C1COc2ccc(Nc3ncnc4scc(-c5ccc(F)cc5)c34)cc2N1 23709096 DZWCSQUSHSEPCP-UHFFFAOYSA-N 392.415 4.572 0 40 GJAB O=C(NCCOc1ccccc1F)c1ccccc1-c1nc2ccccc2s1 24973145 QHHRJJJCVNFQOP-UHFFFAOYSA-N 392.455 4.911 0 40 GJAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 28183367 OUFDWNKWZGEYCD-UHFFFAOYSA-N 397.327 4.921 0 40 GJAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)OCc3cccc(C(F)(F)F)c3)c12 28578168 HZZQNBRALUDFRV-UHFFFAOYSA-N 389.377 4.530 0 40 GJAB Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 28580919 AAZYPNMGMKPPTG-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB Cc1nccn1Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 30944270 PQJNNPDUQXYNNO-UHFFFAOYSA-N 381.479 4.759 0 40 GJAB O=C(Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1)c1ccccc1F 32623058 NFODKSMXUQCOAZ-UHFFFAOYSA-N 377.350 4.934 0 40 GJAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)N[C@H](C)c3ccccc3)ccc2c1 35268849 CIDOGYBHEOKVBE-MSOLQXFVSA-N 376.500 4.546 0 40 GJAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cc(F)ccc1F 40128457 YUWUCXMJPVHVLI-UHFFFAOYSA-N 375.806 4.602 0 40 GJAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)ccc1Cl 44849494 WELUWNKGUNRNSW-CYBMUJFWSA-N 375.852 4.656 0 40 GJAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 46012601 CBAPKGXDIWYFLS-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1ccc2c(Nc3cccc(Cl)c3C)c(C(=O)N3CCCC3)cnc2n1 49004561 WQHYCDCVBZZCKI-UHFFFAOYSA-N 380.879 4.880 0 40 GJAB O=S(=O)(Nc1ccc(Oc2ccccc2)nc1)c1ccc(C(F)(F)F)cc1 58358243 BKXPNSPOTLOWOL-UHFFFAOYSA-N 394.374 4.694 0 40 GJAB FC(F)(Cl)[C@@](F)(Br)C(F)(F)[C@@](F)(Cl)Br 63148545 CNQPZAGOLNLMLO-GPKNORDASA-N 392.746 4.771 0 40 GJAB in-vitro Cc1ccc(-c2nsc(NC(=O)c3ccccc3Br)n2)s1 66413144 YXGUAHUSLMLNPH-UHFFFAOYSA-N 380.292 4.590 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1 72230015 KBACHGARVWJSBC-OAQYLSRUSA-N 397.858 4.691 0 40 GJAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccncc1)N1CCCCC1 72328484 KWRVNEXGDRNSMA-UHFFFAOYSA-N 380.879 4.521 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72358079 JVXQUGPUCAMAKG-IBGZPJMESA-N 381.476 4.554 0 40 GJAB Cc1ccc(CCC(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc1 89632217 XNIXNVZTCQCVMY-HSZRJFAPSA-N 399.494 4.610 0 40 GJAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccccc4C)C3=C(O)C2)cc1 102666634 NFUFBAQBJIGINC-KSFYIVLOSA-N 386.455 4.660 0 40 GJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Nc1ccccc1 102954251 VCDZWOTXDLWVDZ-NVPYSNMXSA-N 394.474 4.752 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219370227 ZHEWSCCXFTZFKP-RTBURBONSA-N 385.504 4.746 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cc2ccccc2cc1OC 219396976 IKSGBQWYUBFJRK-UHFFFAOYSA-N 393.468 4.622 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)c(C)c1 222859790 URYZCEUXGQNIQK-QFIPXVFZSA-N 395.499 4.847 0 40 GJAB O=C(c1cc2cc3ccccc3nc2s1)N1CCN(c2ccccc2F)CC1 223132526 SQLZKWVTGGAZOW-UHFFFAOYSA-N 391.471 4.551 0 40 GJAB CC(C)(C)c1ccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 224260894 OIDABJPPOXPLRE-UHFFFAOYSA-N 383.532 4.856 0 40 GJAB COc1ccc(OCc2cc(C(=O)N(C)Cc3ccccc3)ccc2OC)cc1 224268677 FRBGAXJCXDASOV-UHFFFAOYSA-N 391.467 4.555 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053468 WTWIHXBYIJENLZ-SFHVURJKSA-N 392.480 4.549 0 40 GJAB CC1(C)Cc2cccc(OCC(=O)N[C@@H](c3ccsc3)c3cccs3)c2O1 390826334 IIXSRRPKOZXUEP-IBGZPJMESA-N 399.537 4.808 0 40 GJAB CCCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccccc1 408562175 NVDOATZJAAILSG-FCQUAONHSA-N 380.513 4.939 0 40 GJAB Cc1cccc(COc2ccccc2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1 409196448 VRNCMGFZFQBSHV-PXLXIMEGSA-N 398.462 4.667 0 40 GJAB Cn1c(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)cc2ccccc21 585091784 NENJXRALHZRVLT-UHFFFAOYSA-N 398.462 4.719 0 40 GJAB Fc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1F 2055771663 PIXYPVBEQXLCSH-FGZHOGPDSA-N 379.491 4.543 0 40 GJAB COc1cc(NC(=O)CSc2nc3cc(C)ccc3cc2C)cc(OC)c1 875708 PIRATJBDUWEMET-UHFFFAOYSA-N 382.485 4.600 0 40 GJAB Cc1cc(C)c(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)c(C)c1 944465 GGXDJNVUYKWESR-UHFFFAOYSA-N 399.493 4.734 0 40 GJAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 948938 ODFYYURVYSJTQN-HNNXBMFYSA-N 382.412 4.533 0 40 GJAB COc1ccc2nc(NC(=O)COc3ccc(-c4ccccc4)cc3)sc2c1 951191 PUQXTGLDPPAUDX-UHFFFAOYSA-N 390.464 4.989 0 40 GJAB Cc1ccc(OCC(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 959648 WXDYEUMYPQJUFZ-UHFFFAOYSA-N 383.488 4.803 0 40 GJAB COc1ccc(C(=O)C2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1 1336859 WEGKPYIXTXPLOX-UHFFFAOYSA-N 388.920 4.640 0 40 GJAB O[C@H](c1cc(C(F)(F)F)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCCN1 1572961 GBOMJGJESBMUBL-IUODEOHRSA-N 379.209 4.736 0 40 GJAB in-vitro CN(CC(=O)Nc1cccc2ccccc12)C(=O)CCCSc1ccccc1 3334212 IOFNYOOEXUSPCG-UHFFFAOYSA-N 392.524 4.809 0 40 GJAB Cc1ccccc1NC(=S)Nc1ccccc1C(=O)NCCc1ccccc1 3444524 IGAQSGAEXYYNPI-UHFFFAOYSA-N 389.524 4.776 0 40 GJAB COc1ccc(-c2nn(CN(C)Cc3cccc(Cl)c3)c(=S)o2)cc1 3570109 DICOKLXYTAJQTC-UHFFFAOYSA-N 375.881 4.624 0 40 GJAB COc1ccc(-c2nnc(NC(=O)c3cccc(Oc4ccccc4)c3)o2)cc1 4276095 RRSQSLFDUMWBOK-UHFFFAOYSA-N 387.395 4.790 0 40 GJAB CN(C)CCCN(C(=O)c1ccc(F)cc1)c1nc2ccc(Cl)cc2s1 4359640 ZFAPEZDNPKZYLC-UHFFFAOYSA-N 391.899 4.687 0 40 GJAB COc1ccc(-c2nc3ccc(C)cn3c2NCc2ccc3c(c2)OCO3)cc1 4848450 NLKNQSDOMMVYBX-UHFFFAOYSA-N 387.439 4.659 0 40 GJAB Cc1cccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)c1 4889945 KZFHCYONUMHPKV-DACFSCGWSA-N 388.511 4.633 0 40 GJAB Clc1cc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc2c1OCCO2 5315419 PTNCGHBSGBFWSJ-UHFFFAOYSA-N 399.859 4.935 0 40 GJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCCC2)c(OC)c1 5446506 JTVHIFMYLQABEJ-FQEVSTJZSA-N 378.472 4.908 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(Cl)cc1Cl 6231865 DOMXIFINSLPJCR-UHFFFAOYSA-N 378.177 4.707 0 40 GJAB Cc1ccccc1-c1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1 6451927 ZCVDLJXEWHSUGD-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N[C@@H]1CCCc2ccccc21 7129969 OCMAFIKYGVCLRV-OXQOHEQNSA-N 391.540 4.762 0 40 GJAB COc1cc(CN(C)c2ncnc3sccc23)ccc1OCc1ccccc1 8312894 GQFNQDYJQWOQTC-UHFFFAOYSA-N 391.496 4.915 0 40 GJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 8496878 LXJWVWUKOUGCDY-IBGZPJMESA-N 394.515 4.726 0 40 GJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(c1nccs1)C3=O 8549505 TVJSZDKMXOQUSF-SFHVURJKSA-N 388.448 4.616 0 40 GJAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)c1c(F)cccc1Cl 8863076 NWTYDXGXIMYWHP-QGZVFWFLSA-N 380.916 4.888 0 40 GJAB Cc1ccc(CSc2nc(CC(=O)NCCc3ccccc3)cs2)cc1 8936357 NGHGEJBEHBPZHY-UHFFFAOYSA-N 382.554 4.645 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10120085 FWTOJGFWDBFBHF-UHFFFAOYSA-N 378.453 4.528 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1 12225660 APNIVIYBVWIIBU-UHFFFAOYSA-N 392.459 4.577 0 40 GJAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3)c3sc(C)nc23)o1 12232823 QTCOYVJTCXJLQL-UHFFFAOYSA-N 397.481 4.734 0 40 GJAB CCCCn1nc(C)c2c(C(=O)N3CCCc4cc(C)ccc43)cc(C)nc21 12411024 AHXQNRJJAFIMNU-UHFFFAOYSA-N 376.504 4.750 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc(-c3ccccc3Cl)no2)c1 12739591 VKBVXAOXDUCHIA-GOSISDBHSA-N 399.878 4.744 0 40 GJAB COC(=O)c1cccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 13669442 SUSGFJJHXAIBGX-PXLXIMEGSA-N 387.435 4.661 0 40 GJAB O=C(c1ccccc1CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 13688286 MMHSUQGWMMLXBG-UHFFFAOYSA-N 388.486 4.573 0 40 GJAB COC(=O)c1cc(NC(=O)CCCOc2ccc(Cl)cc2)ccc1Cl 14397313 AZNJEPGFHVWWSE-UHFFFAOYSA-N 382.243 4.578 0 40 GJAB CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(OC)c1 14649284 XYYUUERAZWZEHM-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2c(C)cccc2C)c2ccc(C)o2)cc1 15413531 GBTDRRNZQLYGRP-DEOSSOPVSA-N 388.467 4.784 0 40 GJAB CN(CC(=O)Nc1ccccc1SC(F)F)[C@@H]1CCCc2ccccc21 16342779 PWJCZTFDNYRRRJ-QGZVFWFLSA-N 376.472 4.949 0 40 GJAB N=c1n(CCOc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 19855179 UELHJEHCGWATSW-UHFFFAOYSA-N 377.875 4.703 0 40 GJAB O=C(c1c[nH]c2ccccc12)[C@@H](NC[C@H]1COc2ccccc2O1)c1ccccc1 25665008 JJSSECSJEFTAER-UUOWRZLLSA-N 398.462 4.522 0 40 GJAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(Cc4ccccc4)o3)o2)cc1 26438029 PMYZYHULAGUPAM-AWEZNQCLSA-N 378.457 4.872 0 40 GJAB Cc1cc(Br)cc(C)c1OCC(=O)NC12CC3CC(CC(C3)C1)C2 28284430 ZEFWKAUZUJTLMZ-UHFFFAOYSA-N 392.337 4.530 0 40 GJAB CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(C)C)cc1 28289326 NFAPWBGXKCHRJE-QHCPKHFHSA-N 396.575 4.905 0 40 GJAB Cc1nc(CSc2ccccc2C(=O)Nc2nc3ccccc3s2)no1 29838825 BEKAVGOHSCSLCU-UHFFFAOYSA-N 382.470 4.532 0 40 GJAB CCn1c(S[C@H](C)C(=O)N(C(C)C)C(C)C)nnc1-c1cccc(Cl)c1 32776117 DTGCICVNWMWVER-CQSZACIVSA-N 394.972 4.744 0 40 GJAB COc1ccc(-c2ccc(CCC(=O)N[C@@H](C)c3ccc(OC)c(F)c3)o2)cc1 32836943 SRXLKQNTJWTQJW-HNNXBMFYSA-N 397.446 4.913 0 40 GJAB CN[C@H](c1cc(C(C)C)c(O)c(C(C)C)c1)c1nnnn1-c1c(C)cccc1C 35622713 XEGJZAWQNJBNGG-HXUWFJFHSA-N 393.535 4.540 0 40 GJAB Cc1cccc(-n2c(=S)[nH]c(=O)c3c(C(F)F)cc(-c4ccco4)nc32)c1 36617306 MFZGFDNVEQXPBS-UHFFFAOYSA-N 385.395 4.949 0 40 GJAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 36718699 YCSUGQNHPHHQBU-UHFFFAOYSA-N 385.423 4.745 0 40 GJAB COc1ccc(CN(C)[C@H](C)c2nc3ccccc3n2C(F)F)c(OC)c1 36722712 HLAWUFWVAMNENJ-CYBMUJFWSA-N 375.419 4.642 0 40 GJAB CCOc1ccc(NC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 38668215 AZHNIVPVWFKMQZ-UHFFFAOYSA-N 385.464 4.712 0 40 GJAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(Oc2ncccn2)c1 44243914 IGLGEWPXDDMGET-QGZVFWFLSA-N 380.473 4.872 0 40 GJAB CSc1ccc(-c2noc(Cc3nnc(-c4cccc(Cl)c4)o3)n2)cc1 67246279 JJPVBSKFIFSGKI-UHFFFAOYSA-N 384.848 4.753 0 40 GJAB Cc1csc([C@H]2CCCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)n1 69417985 ZFOKKBLFERDAES-GDBMZVCRSA-N 378.925 4.934 0 40 GJAB COc1cccc([C@H]2C[C@H]2C(=O)N(CCc2ccccc2)c2nc(C)cs2)c1 72270309 NUICLNMFNXEAMK-NHCUHLMSSA-N 392.524 4.840 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)N[C@H]3CCc4ccccc43)[nH]n2)cc1 72331580 KQARHZHOGSPVME-FQEVSTJZSA-N 375.472 4.673 0 40 GJAB Cc1cc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)ccc1N(C)C 84090303 NLIZRRYLQIUQNV-MRXNPFEDSA-N 394.544 4.526 0 40 GJAB Cc1c(-c2nnc3sc(Cc4c[nH]c5ccccc45)nn23)oc2ccccc12 96194422 JCCAVDFCHFLMES-UHFFFAOYSA-N 385.452 4.980 0 40 GJAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)n1 100413282 WOWFPNRGXLWOHZ-DDUZABMNSA-N 387.936 4.502 0 40 GJAB C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2)cc1 101166780 SVHGNNLVLIPHFL-QHCPKHFHSA-N 380.451 4.913 0 40 GJAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 107844634 JGGBSIOVEBDQGG-LJQANCHMSA-N 382.573 4.611 0 40 GJAB CCCOc1ccccc1CCCNC(=O)COc1cc(C)c(Cl)c(C)c1 218924602 OANDWDZUAJZCRF-UHFFFAOYSA-N 389.923 4.873 0 40 GJAB COc1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)ccc1OC(C)C 222848655 NGGQJAGUDOTMPG-OAHLLOKOSA-N 391.895 4.528 0 40 GJAB COc1cc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)ccc1OC(C)C 223260128 BGCFBIWMFNSCLX-SFHVURJKSA-N 399.531 4.998 0 40 GJAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1C(C)C 223322861 MTBQJCVDTQEKTL-HNNXBMFYSA-N 395.952 4.961 0 40 GJAB Cc1nc(NC(=S)NCCCc2ccccc2)c(Cl)cc1Br 223960827 IUIFDLXRNKYHKE-UHFFFAOYSA-N 398.757 4.725 0 40 GJAB CC(C)Oc1ccc(CNC(=O)CSCc2ccc(Cl)cc2F)cc1 224487304 KGXLPDVTIHQGRA-UHFFFAOYSA-N 381.900 4.816 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(SC)c3)o2)c(OC)c1 224869616 CJSIOMLXAPDNFE-UHFFFAOYSA-N 398.484 4.652 0 40 GJAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCCC2)cc1 224959618 KGAXDAQNDQLINS-UHFFFAOYSA-N 399.343 4.926 0 40 GJAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc2c1CCCC2)c1ccc(OC)c(C)c1 225455768 CZMLKNOHRIYTKI-LAUBAEHRSA-N 381.516 4.917 0 40 GJAB O=C(NCc1ccnc(-c2ccco2)c1)C1c2ccccc2Oc2ccccc21 225655322 DBDUYYWMZVHDIA-UHFFFAOYSA-N 382.419 4.896 0 40 GJAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C)cc1 408621929 MPRJWDFFQMPOJI-UHFFFAOYSA-N 399.082 4.781 0 40 GJAB Cc1cccc(COc2ccc(/C=C3/NC(=O)N(c4ccccc4)C3=O)cc2)c1 409009632 HDDZMBYWYAJXIA-PXLXIMEGSA-N 384.435 4.671 0 40 GJAB Cc1ccc(SCC(=O)NCCSCc2c(F)cccc2Cl)cc1 409024577 FBUUNFHEOYUYHT-UHFFFAOYSA-N 383.941 4.929 0 40 GJAB CCc1cc(Br)cc(C)c1NC(=O)COc1cc(C)ccc1C 409148952 UXSWZEBPKOLFGX-UHFFFAOYSA-N 376.294 4.954 0 40 GJAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccccc4)o3)C2=O)cc1 409220959 IKFYPIUEXUAVOZ-CPNJWEJPSA-N 390.464 4.832 0 40 GJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OC)c2ccccc12 409379546 XOOJSKVMDDQZIF-LJQANCHMSA-N 380.469 4.616 0 40 GJAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)c1cccc(F)c1)C2 643578311 PRKAWOWXVBPIAQ-YADHBBJMSA-N 395.522 4.525 0 40 GJAB Cc1nn(C)c2ncc(CN[C@H]3CCCCc4cc(Br)ccc43)cc12 670155845 NMQFHHCAMCRHKO-IBGZPJMESA-N 399.336 4.597 0 40 GJAB Cc1cnc2c(c1)N(C(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C)CC2 1534065826 GVDGIBUBCQTWPL-UHFFFAOYSA-N 380.532 4.953 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)CCc2cccs2)CN1c1cccc(F)c1 1615159476 VEXVBPZBQKNAQK-JOCHJYFZSA-N 386.536 4.870 0 40 GJAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1ccc(Br)cc1 829691 ACWNSCFYNVDKPT-RZNTYIFUSA-N 398.590 4.725 0 40 GJAB COc1ccc(CN(Cc2ccccc2)C(=O)c2cc3ccccc3oc2=O)cc1 1224445 IQESSVYIDUEWQD-UHFFFAOYSA-N 399.446 4.644 0 40 GJAB CCCCCCn1c(C)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 1823545 LMECKKXNTSTHSI-UHFFFAOYSA-N 385.533 4.746 0 40 GJAB CCCN(CC1CC1)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 2637688 APKYIHXKRZFALR-UHFFFAOYSA-N 399.491 4.525 0 40 GJAB Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@@H]2c2ccc(C)o2)c(C)c1 4090863 HOVTWMLDWFDXNL-QHCPKHFHSA-N 388.467 4.634 0 40 GJAB biogenic COc1ccc(C(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)cc1 4161045 XUSQDKTUSRKKPU-UHFFFAOYSA-N 391.496 4.791 0 40 GJAB Cc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(Cl)s3)nc12 4359221 XGQCBPWHUAITOV-UHFFFAOYSA-N 379.938 4.528 0 40 GJAB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C(F)(F)F)cc2)CC(=O)O3)cc1 4626335 DFQJJHUZYUKTPZ-OAHLLOKOSA-N 388.345 4.545 0 40 GJAB COc1ccc(CNc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)cc1 4757693 PLAGMVCWMLZKLR-UHFFFAOYSA-N 377.341 4.922 0 40 GJAB O=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc2ccccc2c1 4815700 IRLDPJHHJPECQF-UHFFFAOYSA-N 399.475 4.955 0 40 GJAB CC(C)Cc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)no1 4881277 PSVRWDRPKCNVBX-UHFFFAOYSA-N 393.274 4.677 0 40 GJAB COc1ccc2c(c1)CCc1c(C(=O)Nc3ccccc3C(F)(F)F)noc1-2 4881379 UFCDNBAWNARPJI-UHFFFAOYSA-N 388.345 4.720 0 40 GJAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1Cl 4973330 IWGIEYRAWBTUBL-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB O=C(N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Cl 5165627 RRSNTDNFBSFRAC-CQSZACIVSA-N 379.070 4.845 0 40 GJAB CCc1nc(SCC(=O)Nc2ccccc2C)c2oc3ccccc3c2n1 5501289 IYGHDMNOZONSLS-UHFFFAOYSA-N 377.469 4.978 0 40 GJAB O=C(Cc1ccc(Cl)cc1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 5612957 NVFIIHBSGYZKAT-OAQYLSRUSA-N 397.833 4.945 0 40 GJAB CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC)C3=O)o2)cc1 6323242 KBTGGYJHGPKWHG-QGOAFFKASA-N 399.468 4.960 0 40 GJAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cc2ccccc2o1 6342252 JJBGXTUCORIGNI-UHFFFAOYSA-N 384.435 4.658 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c(C)c1 7006589 YWUGZJQYEXUZRV-UHFFFAOYSA-N 388.493 4.768 0 40 GJAB CCc1cccc(CC)c1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 7343051 IURXIBIEZRPMNQ-UHFFFAOYSA-N 375.394 4.819 0 40 GJAB C[C@@H](Sc1nnc(Nc2cccc(F)c2)s1)C(=O)c1ccc(F)cc1 7577234 MKZIGXPKIFDZPL-SNVBAGLBSA-N 377.441 4.923 0 40 GJAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccc(Br)c1 7742815 AZNDHPJBSPWWKV-UHFFFAOYSA-N 391.265 4.888 0 40 GJAB Cc1ccc(C)c(-c2nn(CC(=O)c3cc(C)n(C)c3C)c(=O)c3ccccc23)c1 8316646 RUTROIOQLNYPJD-UHFFFAOYSA-N 399.494 4.519 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1ccc(Cl)cc1 8496632 NNCSXUMMWZLKJA-KRWDZBQOSA-N 393.936 4.556 0 40 GJAB Cc1ccsc1CN(C[C@H]1CCCO1)C(=O)c1ccc(Br)cc1 8869425 IVPAMXDEJGYQTB-MRXNPFEDSA-N 394.334 4.640 0 40 GJAB Cc1nc(Nc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)nc2ccccc12 9244579 KKEUNMMVYMWOGT-OAHLLOKOSA-N 399.429 4.524 0 40 GJAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(c2c[nH]c3ccccc23)CC1 10225087 PFMOAYRYKQKYRC-AWEZNQCLSA-N 383.442 4.653 0 40 GJAB CCCCc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)cc1 12166028 JUYGXSRREGXYBI-UHFFFAOYSA-N 390.483 4.559 0 40 GJAB COc1ccc2cnc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)cc2c1C 12187841 CVQPUUJTHAEFLJ-NRFANRHFSA-N 388.511 4.891 0 40 GJAB CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCCC3)c2c1 12437789 XLZQBNDPGTYLMC-UHFFFAOYSA-N 380.513 4.620 0 40 GJAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(Nc2ccccc2)cc1 12631860 HXXKDEGBOYUBJB-UHFFFAOYSA-N 379.485 4.640 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 12882164 JSHQPQIENQIACS-DLBZAZTESA-N 380.513 4.778 0 40 GJAB COc1ccc(C)cc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13126585 CKOFHFOSQNRNFD-MQVJKMGUSA-N 377.575 4.945 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 13686720 CERCWEMTXXWKPL-UHFFFAOYSA-N 386.495 4.987 0 40 GJAB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)Nc1cc(Cl)cc(Cl)c1 13707267 LUCPQYXQQBOCIA-UHFFFAOYSA-N 397.649 4.607 0 40 GJAB C/C=C/c1ccc(OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(OC)c1 14110781 QJCJWGAGMUANGA-ZZXKWVIFSA-N 395.455 4.787 0 40 GJAB O=C(Oc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cccs2)CC1 18115308 DLDZDPWRDUJTEJ-UHFFFAOYSA-N 384.284 4.513 0 40 GJAB COc1ccc2cnc([C@H]3CCCN(C(=O)Cc4cccc(F)c4)C3)cc2c1C 19582640 WPWURLUXIQFSLY-IBGZPJMESA-N 392.474 4.640 0 40 GJAB O=C(Nc1ccccc1Cl)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 20543325 XFIFPWIHOGQNDS-UHFFFAOYSA-N 397.828 4.709 0 40 GJAB Cc1cc(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c2ccccc2n1 27981228 RSVOKEBQYQFKKR-UHFFFAOYSA-N 394.862 4.904 0 40 GJAB CCn1c2ccccc2c2cc(N[C@H](C)C(=O)NCc3cccs3)ccc21 28874633 YYLQCCYEGKLXSZ-OAHLLOKOSA-N 377.513 4.993 0 40 GJAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(SCc2cscn2)cc1 30679204 BZMSLQSMAKLUSU-UHFFFAOYSA-N 398.509 4.849 0 40 GJAB O=C(CSCc1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 31108593 JGBRQUBLJFIXEQ-UHFFFAOYSA-N 380.538 4.845 0 40 GJAB CCOc1ccccc1NC(=O)c1sc2nc(C(F)(F)F)cc(C)c2c1N 32117808 WPYABLNRUJHYIN-UHFFFAOYSA-N 395.406 4.857 0 40 GJAB Cc1ccc(Cn2ncc3c(C(=O)Nc4cc(F)cc(F)c4)cc(C)nc32)cc1 32842530 FUOOCYUTVIVNLL-UHFFFAOYSA-N 392.409 4.627 0 40 GJAB CN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1ccccc1N1CCCCC1 32869477 CKOVWMLOCGAHKC-UHFFFAOYSA-N 391.559 4.545 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1OC 48325686 AHKJMTWRURIFHS-UHFFFAOYSA-N 392.864 4.943 0 40 GJAB CCc1onc(C)c1-c1nc(NCc2cccc(F)c2)ncc1-c1ccncc1 72342942 DIZNSCNKFCQFJR-UHFFFAOYSA-N 389.434 4.816 0 40 GJAB CCC(=O)N1CC[C@@H](c2cc(Cc3ccc(C(F)(F)F)cc3)cc(C)n2)C1 72374746 NXXHTXSJRHZWJS-QGZVFWFLSA-N 376.422 4.726 0 40 GJAB COc1ccc(C2=CCN(C(=O)Nc3nnc(C4CCCCC4)s3)CC2)cc1 83943697 CQRMNWGORPQZBL-UHFFFAOYSA-N 398.532 4.916 0 40 GJAB Cc1cccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2cccs2)c1C 100423803 ZHKXBCYLMOLXPN-QZTJIDSGSA-N 385.602 4.847 0 40 GJAB COc1ccccc1CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1Cl)C2 100425931 AYDUUQGPJPCWSS-RTBURBONSA-N 398.934 4.664 0 40 GJAB CCCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 113564157 QFSRFVYFSRRSRY-LJQANCHMSA-N 396.512 4.548 0 40 GJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1N(C)C(=O)C1CC1 120123888 YPPKWCIARKEMHX-UHFFFAOYSA-N 391.298 4.638 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1C(C)C)CC(C)(C)O2 222812893 FDWIEZKISVYULA-LJQANCHMSA-N 383.488 4.616 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C 222870126 YODOSSSLCUCAAU-SFTDATJTSA-N 382.577 4.998 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 223208117 SYSRMNAEXOMXAF-KUHUBIRLSA-N 391.895 4.700 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223378937 SGZDQWKZSIBCIB-NHCUHLMSSA-N 390.556 4.811 0 40 GJAB O=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 224535718 ZIWZUQWKELGATC-UHFFFAOYSA-N 391.342 4.564 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(I)c1 225015486 ZHGOXJRIXUIZCM-UHFFFAOYSA-N 389.595 4.644 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCCSC2CCCCC2)c(C)c1 225358528 PIRDITAZWBQCMP-UHFFFAOYSA-N 380.579 4.524 0 40 GJAB O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccc(Cl)s1 225577662 XVBCJWRCWYQUOX-UHFFFAOYSA-N 377.922 4.634 0 40 GJAB COc1ccc(C2(C(=O)Nc3cc(C)c(OC(C)C)c(C)c3)CCOCC2)cc1 225585196 LDYOVRJZJFVGRS-UHFFFAOYSA-N 397.515 4.786 0 40 GJAB COC(=O)c1cccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c1C 225858810 RWUUGCNGFWIDPW-UHFFFAOYSA-N 382.529 4.846 0 40 GJAB CCN(C(=O)C(F)(F)F)c1cccc(NC(=O)c2cc3ccccc3o2)c1 226285630 YLQCVBUFCFAJOF-UHFFFAOYSA-N 376.334 4.600 0 40 GJAB CCn1c(-c2c(C)oc3ccccc23)csc1=NS(=O)(=O)c1ccccc1 245241623 LJIHKSJWTOJTQV-UHFFFAOYSA-N 398.509 4.581 0 40 GJAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(Cl)cc3)nc12 408627096 JZKTWWOJBBJFDR-UHFFFAOYSA-N 375.906 4.693 0 40 GJAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)c1 408698386 NEUSPERYGAJJDN-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)c(OCC)c1 408776880 RZAVWGVONIKEMA-WLJFKGHSSA-N 398.528 4.646 0 40 GJAB COc1cccc(-c2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)c1 632679 JTXVPFYGMHVVNB-UHFFFAOYSA-N 376.363 4.547 0 40 GJAB Cc1ccccc1Cn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 703866 DPSXVQGIDKCCSY-FQEVSTJZSA-N 381.479 4.914 0 40 GJAB Cc1ccc(NC(=O)c2cccc(OC(=S)NCc3ccccc3)c2)cc1 1444640 VGHVZZBXAUUPED-UHFFFAOYSA-N 376.481 4.701 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(C)cc1 2452894 XBSNWMGAPMHNHX-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 3415027 DPXRNXZIHIKBTJ-UHFFFAOYSA-N 394.814 4.573 0 40 GJAB O=C(COc1ccc(Cl)cc1Br)N[C@H]1CCCc2ccccc21 3510331 GQGBDUBBXBYXDU-INIZCTEOSA-N 394.696 4.675 0 40 GJAB COc1cc(C)c(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1C(C)C 3667628 COFBSSUBRVBLCZ-UYRXBGFRSA-N 386.561 4.860 0 40 GJAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc2ccccc2c1 4703938 GEVDSZCADNMFAA-UHFFFAOYSA-N 389.524 4.957 0 40 GJAB CCOc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)O[C@H]4CCC[C@@H]4C)c3C)C2)cc1 4912619 GKRYCEUTIPCYTN-OXTHUFEASA-N 395.499 4.980 0 40 GJAB CCN(CC)CCN(C(=O)c1ccccc1)c1nc2cc(C)cc(C)c2s1 5122151 HTZHFXNBNCILDV-UHFFFAOYSA-N 381.545 4.902 0 40 GJAB Cc1ccc(-c2cn3c(CC(=O)N[C@@H](C)c4ccccc4)csc3n2)cc1 5147196 GYHNZOLIJSNSGI-INIZCTEOSA-N 375.497 4.791 0 40 GJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(C)c2)cc1 5256205 KNCOUPSGRDSPES-JOCHJYFZSA-N 375.472 4.832 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(F)cc2)o1 5478143 SESKRKJDIKMCSH-AWEZNQCLSA-N 379.457 4.573 0 40 GJAB CC1(C)[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@@]1(C)C(=O)O 5482298 XOJYXJUCLVCFID-CVDCTZTESA-N 381.472 4.731 0 40 GJAB CCCCCCc1cc2c3c(c(=O)oc2cc1O[C@H](C)C(=O)OC)CCCC3 5548385 WGBGKLCXZPNGIA-OAHLLOKOSA-N 386.488 4.735 0 40 GJAB Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(F)cc3)cc2O)n1 5574855 XSMRNEJDRWCBNE-UHFFFAOYSA-N 387.414 4.817 0 40 GJAB biogenic CCOc1ccc([C@H](C)NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OCC 6309298 JYWKZQSNGARYED-AWEZNQCLSA-N 395.421 4.923 0 40 GJAB Cc1cc(CSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)no1 7831934 DIYNEADZHFFOJG-UHFFFAOYSA-N 381.501 4.876 0 40 GJAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(-c4nccs4)cc3)c2O1 7985913 WVFBLIMJFLJZMA-UHFFFAOYSA-N 380.469 4.541 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(C2CC2)nn1-c1ccccc1 7990926 VKAPTGJSUBRVPF-UHFFFAOYSA-N 386.499 4.992 0 40 GJAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 8187228 KHTZLDUNVVHBCW-UONOGXRCSA-N 398.557 4.700 0 40 GJAB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Br)o3)S2)c(C)c1 8410591 GCYUEIPJIQCZAL-JYRVWZFOSA-N 377.263 4.551 0 40 GJAB Cc1ccc(CN(C(=O)COc2cc(C)c(Cl)c(C)c2)c2ccccn2)o1 8586617 WVZUBSCGCUBILU-UHFFFAOYSA-N 384.863 4.865 0 40 GJAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)c1ccc(F)cc1F 8942219 LEXNABWFLGEIIR-UHFFFAOYSA-N 390.455 4.791 0 40 GJAB O=C(Nc1c(Cl)cccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 9063645 OEBZYFJGMPSLOF-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB CCOC(=O)Nc1ccc2c(CSCc3cccc(F)c3)cc(=O)oc2c1 10023931 YAVZTMDULMLPDK-UHFFFAOYSA-N 387.432 4.934 0 40 GJAB COc1cccc(-c2noc(CSc3ncc(-c4ccc(F)cc4)o3)n2)c1 10841279 RLMHNLODJVFQCV-UHFFFAOYSA-N 383.404 4.832 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12607047 PNNNWQQBXOOWSE-ZDUSSCGKSA-N 395.261 4.623 0 40 GJAB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)C1(c2ccccc2)CCCC1 12651785 HQIONWCLQJSMKJ-UHFFFAOYSA-N 384.907 4.627 0 40 GJAB O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12793468 BIMDJEMJGDIUBU-PYJQOMOHSA-N 387.838 4.627 0 40 GJAB CCCc1ccc(-c2csc(NC(=O)Cc3cn4ccccc4n3)n2)cc1 12801700 YVDJJYUMVOWWIT-UHFFFAOYSA-N 376.485 4.592 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 12822006 YERRTCINKMHODS-NSHDSACASA-N 391.826 4.504 0 40 GJAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc(CSC(F)F)o1 12947143 GUHXOTDCCRREIT-UHFFFAOYSA-N 394.443 4.660 0 40 GJAB C[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1Cl 12985423 IDAMLEKBRNLUEI-LLVKDONJSA-N 377.271 4.833 0 40 GJAB Cc1ccc(C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)s1 13015597 OZGGMCPBDMWRBM-GOOCMWNKSA-N 396.599 4.785 0 40 GJAB CCCCCC(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 13764337 KNCJCDJSWFXAAO-QIDMFYOTSA-N 380.532 4.938 0 40 GJAB CC1(C)CC(=O)C2(Cc3ccccc3N3CC[C@H](c4ccccc4)C[C@@H]32)C(=O)C1 16957411 JEWFMOLKHLSBHQ-SIKLNZKXSA-N 387.523 4.940 0 40 GJAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)CC3=CCCCC3)CC2)C1 19019842 DBLNRLQOEWOBNL-UHFFFAOYSA-N 382.548 4.541 0 40 GJAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19463236 OOEHXHHVENESOG-UPJWGTAASA-N 395.450 4.586 0 40 GJAB COc1ccccc1CN1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 19564376 PHJCMCLWVSAODZ-AWEZNQCLSA-N 387.430 4.857 0 40 GJAB COCCOc1ccc(CNc2ccc(OCCOc3ccccc3)cc2)cc1 19738251 IREXTKURQOZIBP-UHFFFAOYSA-N 393.483 4.782 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1 20453443 FOHNORCUMQVHMY-FQEVSTJZSA-N 377.440 4.813 0 40 GJAB Cc1cc(C)c2c(=O)cc(CSc3nccn3Cc3ccccc3)[nH]c2c1 21098875 VHCIPXQBHJVPKC-UHFFFAOYSA-N 375.497 4.682 0 40 GJAB Cc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 23157746 MUZJPFBLOFZGSM-MKBNYLNASA-N 390.940 4.526 0 40 GJAB COc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2c1 29690722 ALGXROILCFENKK-UHFFFAOYSA-N 388.389 4.843 0 40 GJAB Cc1cccc(Cn2nccc2NC(=O)c2ccc(-c3ccccc3)nc2C)c1 30526901 OCRURIJPOZKFHZ-UHFFFAOYSA-N 382.467 4.863 0 40 GJAB CN(C(=O)c1cnn2c(-c3cccs3)ccnc12)[C@@H]1CCCc2ccccc21 32968996 PIQNPSJCKHCALQ-GOSISDBHSA-N 388.496 4.607 0 40 GJAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N(Cc1ccco1)C1CC1 33007629 QCMOLCFPHGCNGN-UHFFFAOYSA-N 375.472 4.674 0 40 GJAB Cc1ccc(C)c2c(=O)cc(CSCC(=O)Nc3ccccc3Cl)[nH]c12 33063749 OJIKPRCFQOGAOT-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB Cc1ncc(NC(=O)/C=C/c2ccccc2)n1-c1nc(-c2ccccc2)cs1 35682940 JQTIHVLJNKZGKJ-OUKQBFOZSA-N 386.480 4.956 0 40 GJAB COc1ccc(NC(=O)c2cc3occc3n2Cc2ccccc2)cc1OC 36357054 JPADGUBYPCHZJO-UHFFFAOYSA-N 376.412 4.552 0 40 GJAB CCn1nc(C)c2c(C(=O)N3CCC[C@@H](C)C3)cc(-c3ccc(C)cc3)nc21 36616036 TZEMFMBFUHRGEB-MRXNPFEDSA-N 376.504 4.607 0 40 GJAB Cc1sc(NC(=O)CSc2nc3ccccc3[nH]2)nc1-c1ccccc1 40176150 YGNZHBHJNBASEF-UHFFFAOYSA-N 380.498 4.726 0 40 GJAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(C)c1 59351631 ZKLHBEBVNJFWNL-GJZGRUSLSA-N 376.294 4.711 0 40 GJAB CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214466 SUAVBZPTXFMETQ-MRXNPFEDSA-N 391.512 4.915 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)/C=C/C(C)(C)C)CC2 72284627 CDPOGYMQPZVZPY-ZQAUEJBPSA-N 385.529 4.842 0 40 GJAB Cc1cccnc1Nc1cncc([C@@H]2CCCN2Cc2cn(C)c3ccccc23)n1 72376423 KONITTSYXROEDT-QFIPXVFZSA-N 398.514 4.752 0 40 GJAB FC(F)(F)C(F)(F)SCCCNCc1ccccc1Br 95918374 MGPLCBSLRUEOGI-UHFFFAOYSA-N 378.204 4.817 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 98072750 VFMGCOLVGXZLAD-UHFFFAOYSA-N 394.212 4.577 0 40 GJAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1cccc2ccccc12 113834519 QHSAEDVGDKUITF-UDWIEESQSA-N 391.448 4.751 0 40 GJAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(C)c(C)c2)o1 216032287 OMZAUPFLIFRAMP-UHFFFAOYSA-N 397.500 4.559 0 40 GJAB CCOc1cc(C(=O)OC)cc(Br)c1OCc1ccc(Cl)cc1 216779930 VZZWYAWESHQSOG-UHFFFAOYSA-N 399.668 4.867 0 40 GJAB CCCOc1ccccc1CCCNC(=O)COc1ccc(Cl)c(C)c1 218940124 XUGOFJMKBFGKFL-UHFFFAOYSA-N 375.896 4.565 0 40 GJAB CCn1c(Cl)nc2cc(C(=O)N(Cc3cccn3C)C3CCCC3)ccc21 222555725 QQUHGOFGMCAXDH-UHFFFAOYSA-N 384.911 4.633 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222712068 UQSYPRZVRROUNE-OXQOHEQNSA-N 391.467 4.646 0 40 GJAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)cc1 222839659 LESGKFASAVWATD-NHCUHLMSSA-N 376.529 4.562 0 40 GJAB CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224940592 XIYMDDMCUQICLW-UHFFFAOYSA-N 384.206 4.837 0 40 GJAB CCC1(CC)C[C@@H](NS(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2O1 225603845 JRDANXORLDTCBI-LJQANCHMSA-N 387.545 4.973 0 40 GJAB CN(C(=O)c1ccc(-c2ccc(N)cc2Br)o1)C1CCCCC1 226303677 WEHATKNICVFHJW-UHFFFAOYSA-N 377.282 4.696 0 40 GJAB CCOc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1ccccc1 408611852 RWFMQXLFJDHBQJ-UHFFFAOYSA-N 377.440 4.975 0 40 GJAB COCc1ccc(NC(=O)N2CC(c3ccccc3F)C2)cc1C(F)(F)F 667777458 ZHYJMTHMLGVYPZ-UHFFFAOYSA-N 382.357 4.622 0 40 GJAB Cc1ccccc1CC(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615152663 BSHMCALSEPZRTI-DEOSSOPVSA-N 380.507 4.727 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc(C)c1C 673333 BBOJSYRSXYKVMH-GFCCVEGCSA-N 395.908 4.909 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)Cc1cccs1 1330019 XBOXFTYLLBAZLO-UHFFFAOYSA-N 381.478 4.759 0 40 GJAB O=C(c1ccc(Oc2ccc(C(=O)N3CCCCC3)cc2)cc1)N1CCCCC1 1446457 NQTMSKNNIHPJRL-UHFFFAOYSA-N 392.499 4.731 0 40 GJAB CCCC(=O)N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 2054637 JDLRDFZOHFQIOF-NSHDSACASA-N 377.621 4.730 0 40 GJAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)c1 3235474 ABXKQYKZASNFJO-UHFFFAOYSA-N 388.247 4.650 0 40 GJAB O=C(COc1c(Cl)cccc1Cl)OCC(=O)c1cc2ccccc2o1 3284057 CCYZFONALNBOPS-UHFFFAOYSA-N 379.195 4.545 0 40 GJAB Cc1ccc2nc(NC(=O)COc3ccc(F)cc3Br)sc2c1 3592138 HOOOCGBBAVOTME-UHFFFAOYSA-N 395.253 4.524 0 40 GJAB Cc1ccc(Cn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)cc1 4033503 LUQNPBJCAPZKRJ-JOCHJYFZSA-N 395.506 4.909 0 40 GJAB CCOc1ccc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1OCC 4138202 DVXLAQQNIQNXQZ-UHFFFAOYSA-N 392.499 4.774 0 40 GJAB COc1ccc2cc(S(=O)(=O)NCCC34CC5CC(CC(C5)C3)C4)ccc2c1 4580388 NECVKRJWULYCHS-UHFFFAOYSA-N 399.556 4.733 0 40 GJAB COC(=O)[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccccc1 4747492 JSHBNZSVAYLBJK-HXUWFJFHSA-N 398.842 4.618 0 40 GJAB O=C(CCc1nc2ccccc2s1)OCC(=O)C12CC3CC(CC(C3)C1)C2 4977210 MAIRLPIGJQAVHH-UHFFFAOYSA-N 383.513 4.558 0 40 GJAB CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC)cc1 5487469 ANKOPGZEAADFNJ-KRWDZBQOSA-N 399.487 4.838 0 40 GJAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)n2)cc1 5867977 WGAFQWSPMGZBMZ-CQSZACIVSA-N 376.485 4.933 0 40 GJAB S=C(Nc1ccc(Br)cc1)SCc1ccc2c(c1)OCO2 6512119 OYUWRHBUUWYJFP-UHFFFAOYSA-N 382.304 4.808 0 40 GJAB CN(C)C(=O)CSc1ccccc1C(=O)OCc1ccc(Cl)c(Cl)c1 6589622 JUODDRBBDJICBD-UHFFFAOYSA-N 398.311 4.531 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1 7601337 UHZNKNZYGNEJAI-UHFFFAOYSA-N 388.924 4.869 0 40 GJAB CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCc1ccccc1Cl 8327040 RMTAQUJKUYAEJV-MRXNPFEDSA-N 398.330 4.832 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)NCCSCc1ccc(Cl)cc1 8350533 RAUIRDZHJZEBCJ-UHFFFAOYSA-N 386.904 4.967 0 40 GJAB CCN1C(=O)c2cccc3c(NC(=O)Cc4ccc(SC)cc4)ccc1c23 9565106 SWCVDERFQSPXLZ-UHFFFAOYSA-N 376.481 4.723 0 40 GJAB CC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1ccco1 9579580 IZIJTBCHZASRHM-JOCHJYFZSA-N 396.450 4.830 0 40 GJAB CCc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 10371927 BNROISVRORBZRL-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB COc1cc(CCC2CCN(C(=O)Nc3ccccc3F)CC2)cc(OC)c1 10407363 PIFNGQGELNYVGA-UHFFFAOYSA-N 386.467 4.720 0 40 GJAB Cc1cc2oc(=O)cc(CNc3ccc(N4CCCC4=O)c(Cl)c3)c2cc1C 12736535 RVRQUGIYJPSUHB-UHFFFAOYSA-N 396.874 4.802 0 40 GJAB C[C@H]1c2ccsc2CCN1Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S 12910571 IZCVTLYAXRGDRK-LBPRGKRZSA-N 390.965 4.910 0 40 GJAB O=C(CSCc1ccccc1Cl)NCCSCc1ccccc1F 13672733 PQLNFYYYEOXQLA-UHFFFAOYSA-N 383.941 4.762 0 40 GJAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)Cn2nc(C)c(C)c2C)n1 19690584 BKDAMMSVPNNSLI-HSZRJFAPSA-N 388.515 4.542 0 40 GJAB O=C(O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1O 20139555 KOYGMFIIUFYABJ-UHFFFAOYSA-N 382.224 4.864 0 40 GJAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccc(F)cc1)C3 20389251 OWUIXMLPAKWLIU-UHFFFAOYSA-N 387.838 4.890 0 40 GJAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3cc4ccccc4o3)sc2c1 20411795 XLKANCCGMVRVCS-UHFFFAOYSA-N 380.425 4.860 0 40 GJAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(Cl)cc1F 21588862 ROLGXKAHYHVHFH-UHFFFAOYSA-N 396.849 4.704 0 40 GJAB CC(C)c1noc([C@@H](C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 22935574 IRHMMYRGDUYCLM-LJQANCHMSA-N 390.531 4.661 0 40 GJAB Cc1cccc(NC(=O)N2CCN(Cc3nc(-c4cccs4)cs3)CC2)c1 23145181 KQWXWQDLMJIRIG-UHFFFAOYSA-N 398.557 4.530 0 40 GJAB Cc1c(O)ccc2c(CN(Cc3ccccc3)Cc3ccco3)cc(=O)oc12 23993009 WWADQISGPLQCFT-UHFFFAOYSA-N 375.424 4.602 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3c(c2)OCCCO3)cc1 24393556 VSJGJPIFKRMGKN-FQEVSTJZSA-N 381.472 4.614 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-n2cc(Cl)cn2)cc1 28574003 OJVZLRYFMDEOLR-UHFFFAOYSA-N 396.661 4.850 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc2ncsc2c1 28685771 VBSTTZLFCXTSRS-UHFFFAOYSA-N 379.466 4.607 0 40 GJAB CCCc1cc(=O)oc2cc(OCc3csc(-c4ccccn4)n3)ccc12 29077959 WVYCLDNQGMOVTH-UHFFFAOYSA-N 378.453 4.843 0 40 GJAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 32593325 IXWDWENYNHSQMD-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB Cc1noc(-c2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)cc2)n1 32906185 ASFWPKRCXGLGEE-UHFFFAOYSA-N 375.472 4.530 0 40 GJAB COc1ccc(-c2nc(NC(=O)COc3cccc(Cl)c3)sc2C)cc1 32981873 VAQPAJRRHNFFJS-UHFFFAOYSA-N 388.876 4.798 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2ccc(O)cc2)cc1OCc1ccccc1 33598100 PLFVCHOHYJNILB-UHFFFAOYSA-N 383.831 4.886 0 40 GJAB COc1cc(-c2nc3cccc(C)n3c2Nc2ccccc2OC)ccc1O 35616022 ARFJKFDYWVABME-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB CC(C)Sc1ccc(CC(=O)NCc2cc(-c3ccccc3F)on2)cc1 38754236 CJLSPQULJNTNCH-UHFFFAOYSA-N 384.476 4.840 0 40 GJAB CSc1ccccc1CN1CCC(CNC(=O)Nc2cccc(C)c2)CC1 43991643 SQRYRSMALXHXFC-UHFFFAOYSA-N 383.561 4.751 0 40 GJAB O=C(O)COc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 47218843 ZXPCCQAJIMESAV-UHFFFAOYSA-N 389.407 4.511 0 40 GJAB COCCn1ccc2c(NC(=O)Cc3csc(-c4cccs4)n3)cccc21 72404265 XTTZOJPPIBWXBJ-UHFFFAOYSA-N 397.525 4.654 0 40 GJAB C[C@@](O)(CNC(=O)CSc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 77184168 CAWIQFUPXVNMGX-HSZRJFAPSA-N 395.499 4.609 0 40 GJAB CSc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccn2)cc1 79490649 CEHAICNVZUZDHV-SFHVURJKSA-N 382.514 4.722 0 40 GJAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccc(Br)cc2)c(C)c1 96137036 ANENCHDUNUUFQK-CMDGGOBGSA-N 380.307 4.787 0 40 GJAB CN1CCN(c2ccc(NC(=O)c3cc4c(ccc5ccccc54)o3)cc2)CC1 113941293 UOKLCANWXDKMRP-UHFFFAOYSA-N 385.467 4.590 0 40 GJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(F)cc3)N21 222706935 BEVXHTJTOFBBND-ZLGUVYLKSA-N 392.503 4.991 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 222984806 DCDKBQGELZNOLN-UWJYYQICSA-N 382.504 4.628 0 40 GJAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)CC(C)(C)c3ccccc3)ccc2c1 223098215 SOTCZPJIFTYCQY-KRWDZBQOSA-N 397.540 4.883 0 40 GJAB C[C@H](CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 223415389 XTCWMGJXGKXNPS-HXUWFJFHSA-N 384.523 4.778 0 40 GJAB Cc1cc(OCC(=O)NCCOc2ccc3ccccc3c2)cc(C)c1Cl 223614351 NGLHSDDCNXGGNW-UHFFFAOYSA-N 383.875 4.684 0 40 GJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225736941 MKRHAYJURZVDNP-QRWLVFNGSA-N 385.932 4.924 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)ccc1O[C@@H](C)CC 225808275 IJCIIZXBGAZYKS-VVBPWWLESA-N 391.508 4.574 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@](O)(c1ccsc1)c1cccs1 253397789 FZEMXIDFTKWCFZ-QFIPXVFZSA-N 393.533 4.558 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N(C)CC2CC2)[C@H]1c1cccs1 257173370 LMIAJHBXYYXDAL-NHCUHLMSSA-N 396.556 4.553 0 40 GJAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3F)o2)on1 257218989 DFDQKVYVWVDQNF-LJQANCHMSA-N 397.450 4.883 0 40 GJAB CC(C)(C)c1ccc(O)c(C(=O)NCc2ccc(CN3CCCCCC3)cc2)c1 257334589 YGPAMDYWRDSURG-UHFFFAOYSA-N 394.559 4.996 0 40 GJAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1ccc(-c2ccoc2)s1 390832343 YTWWRYVVYNRLJU-UHFFFAOYSA-N 395.459 4.520 0 40 GJAB O=C(Nc1cccc(NC(=O)c2cccnc2Cl)c1)c1cccc(Cl)c1 408621329 LSQORDGYLBFXBO-UHFFFAOYSA-N 386.238 4.893 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccccc3C)n2)cc1 408696141 WSEYWLCMAMDCHP-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB COc1ccc(Cl)cc1CN(C)C(=O)Nc1cc(C)nn1Cc1ccccc1 642488602 ZBMCTEDUKVZUGE-UHFFFAOYSA-N 398.894 4.566 0 40 GJAB Cc1cc(Cl)c(NC(=O)N[C@@H]2CCO[C@H](c3cccnc3)C2)cc1Cl 652750736 FJLYWSVQASYZBJ-DYVFJYSZSA-N 380.275 4.739 0 40 GJAB Cn1ncc(C2CC2)c1-c1nc(C(F)(F)c2ccc(Cl)c(Cl)c2)no1 664823441 CQSPTLYZCFIKET-UHFFFAOYSA-N 385.201 4.794 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@@H](O)c1ccc(-c2ccco2)s1 1889205705 SWVPTVIADZHFAF-GOSISDBHSA-N 377.465 4.554 0 40 GJAB CS(=O)(=O)c1cnc(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 1393337 QZVKUAAJJZJCHR-UHFFFAOYSA-N 379.268 4.521 0 40 GJAB CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(-c4ccccc4)cc3)nc12 1613467 PRFUPRUDNALXIZ-UHFFFAOYSA-N 395.506 4.860 0 40 GJAB CCCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2199257 PFCYYTVZXALRPJ-UHFFFAOYSA-N 378.476 4.624 0 40 GJAB COc1ccc(-c2c3c(nc4sc(C(C)=O)c(N)c24)CCCC3)cc1OC 2342252 YQHQKFUWLUVJPB-UHFFFAOYSA-N 382.485 4.644 0 40 GJAB O=C(OCCOc1ccc(Br)cc1)c1cc2ccccc2cc1O 3292273 PBMDUBBJOLOJRI-UHFFFAOYSA-N 387.229 4.544 0 40 GJAB CCCCC(=O)Nc1c(C(=O)Nc2ccc(OC)cc2OC)oc2ccccc12 4162575 GEEXJLKUSKPHBF-UHFFFAOYSA-N 396.443 4.831 0 40 GJAB Cc1ccccc1OCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 4551110 IBLLWQCIGYXBTM-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@H]1CCCc2ccccc21 4602275 HHLWYPFREURVHQ-ACJLOTCBSA-N 397.475 4.550 0 40 GJAB CCOc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(OCC)c1OCC 5457797 FHWBKNJWUAOJFH-CQSZACIVSA-N 375.440 4.513 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)s2)cc1 5624342 OEGXHFJVPWSTJV-UHFFFAOYSA-N 392.456 4.599 0 40 GJAB COc1cc(C(=S)N2CCCC2)cc(Cl)c1OCc1cccc(F)c1 6170069 KAOJPYJZCUXATA-UHFFFAOYSA-N 379.884 4.838 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2cnc(Cl)c(Cl)c2)cc1OCC 6652274 PVWZCTUUWSYNMD-NSHDSACASA-N 383.275 4.677 0 40 GJAB COc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)cc1 6849808 PNIUJBSQAJXHPI-QGZVFWFLSA-N 398.509 4.820 0 40 GJAB COc1ccc(-c2cc(NC(=O)CCC(=O)c3ccccc3)ccc2OC)cc1 7639347 XIAACZWVESYWNL-UHFFFAOYSA-N 389.451 4.972 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2nnc3ccc4ccccc4n23)c(C)c1 7997319 JVZZLABKKDIWHJ-UHFFFAOYSA-N 376.485 4.539 0 40 GJAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 8130593 ORLJSXFXNYEDFU-SFHVURJKSA-N 389.451 4.758 0 40 GJAB COC(=O)[C@@H](C)Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 8134759 ZSGKKUMBZVEANU-GFCCVEGCSA-N 394.418 4.757 0 40 GJAB Cc1nc(COc2ccc(C(=O)Nc3ccc(SC(F)F)cc3)cc2)no1 8753158 AMUOSESIOLFSDE-UHFFFAOYSA-N 391.399 4.524 0 40 GJAB CCOc1cccc(-c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)c1 8769191 AYDAYGWXVDOETO-UHFFFAOYSA-N 383.517 4.759 0 40 GJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1csc(-c2ccsc2)n1 9157433 FZKYMFIYUQNNPS-UHFFFAOYSA-N 383.542 4.744 0 40 GJAB COc1cccc(-c2cc(=O)n3c4ccccc4nc3n2CCc2ccccc2)c1 9262091 XXWYFQMICSMDRA-UHFFFAOYSA-N 395.462 4.568 0 40 GJAB COc1cc(OC)c2c(-c3ccccc3)cc(S[C@H]3C[C@@H](C)OC3=O)nc2c1 9592173 VJDRPPGDORGJLR-YJYMSZOUSA-N 395.480 4.715 0 40 GJAB Cc1ccc(N2C(=O)N(Cc3cc4ccc(C)cc4nc3Cl)C(=O)[C@@H]2C)cc1 9691222 ITYPKXOUNDEOOK-HNNXBMFYSA-N 393.874 4.862 0 40 GJAB Cc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c(Br)c1 10958629 GOFUXDOBDORSKV-UHFFFAOYSA-N 387.281 4.644 0 40 GJAB CCN(C(=O)c1ccc(OC)c(OC)c1)c1nc2cc(Cl)ccc2s1 12752424 HYEGZFQONNOWGE-UHFFFAOYSA-N 376.865 4.634 0 40 GJAB CCCCCc1ccc(NC(=O)[C@H](C)n2c(=S)[nH]c3ccccc3c2=O)cc1 12814242 QOOXJLCLHRZYBR-HNNXBMFYSA-N 395.528 4.991 0 40 GJAB CCn1c(SCc2coc(-c3ccc(C)cc3)n2)nnc1-c1ccncc1 12943320 ADTGVWJXURJVPP-UHFFFAOYSA-N 377.473 4.616 0 40 GJAB COc1ccc2cc(CNc3ccc(OCc4ccccc4)cc3)c(=O)[nH]c2c1 13561360 RLPIYEQQNXFLIZ-UHFFFAOYSA-N 386.451 4.728 0 40 GJAB CCSc1ccccc1C(=O)Nc1nnc(CCc2ccc(OC)cc2)s1 13856321 LDQMYESEUBAUNG-UHFFFAOYSA-N 399.541 4.696 0 40 GJAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nccs3)[C@@H]2c2cccs2)cc1 14461720 HWNCVEKYSJCUMN-MAUKXSAKSA-N 397.525 4.636 0 40 GJAB O[C@@H](COc1ccccc1)Cn1c(Cc2ccccc2Cl)nc2ccccc21 15860782 YXWRHEOVDJCLSE-GOSISDBHSA-N 392.886 4.720 0 40 GJAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 16780746 MZBVIHQENTZHAL-TVQRCGJNSA-N 389.361 4.581 0 40 GJAB Cc1cc(NC(=O)Cc2ccccc2)n(-c2nc(-c3cccs3)cs2)n1 17012039 IGRFHVMOHFATRV-UHFFFAOYSA-N 380.498 4.547 0 40 GJAB CCCCn1nc(C)c2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cc(C)nc21 17077840 OJASTUVZJWJDIX-UHFFFAOYSA-N 380.536 4.547 0 40 GJAB CC(C)C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19085510 VELJMQRZPKZBQH-LBPRGKRZSA-N 383.439 4.586 0 40 GJAB Cc1cc(Oc2ccc(NC(=O)C3CCCC3)cc2)cc(C2CCNCC2)n1 19570452 MWRBLANTFKPVNA-UHFFFAOYSA-N 379.504 4.778 0 40 GJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1cccc(Cl)c1 20454804 ZXHOVFAXXCXKPX-CYBMUJFWSA-N 384.328 4.810 0 40 GJAB Cc1c(C)n(-c2ccccc2Cl)c2ncn3nc(Cc4ccccc4)nc3c12 21801804 VHEJVOSKDUERTH-UHFFFAOYSA-N 387.874 4.929 0 40 GJAB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC 32791082 JGMNCEAWGORCBB-GZTJUZNOSA-N 394.858 4.605 0 40 GJAB Fc1ccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1 35289446 WODDXVNEXAQTBY-SEJPIABJSA-N 383.536 4.698 0 40 GJAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)c(OC)c1 36353217 OIQYTALZBPBMSH-INIZCTEOSA-N 383.835 4.667 0 40 GJAB COc1cc(CN(C)C(=O)Nc2ccccc2Oc2ccccc2)ccc1O 43348628 JGULMXXBPZDYBL-UHFFFAOYSA-N 378.428 4.857 0 40 GJAB COc1ccc(NC(=O)NCCCSc2ccccc2)cc1OC(F)F 43994321 HTOMEOYAOUFPIL-UHFFFAOYSA-N 382.432 4.601 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C3CC3)[C@H](C)C3CC3)c12 48303207 PZAHBSDMISGXAY-CQSZACIVSA-N 380.536 4.775 0 40 GJAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1(c2ccccc2)CC1 49580941 DVZNRQVOOVCHHY-QFIPXVFZSA-N 381.479 4.695 0 40 GJAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)c1 57313387 AJJRNUSQIJWCDR-HNNXBMFYSA-N 393.512 4.847 0 40 GJAB COc1ccc(CN2C[C@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 57731828 MJHIRDUYWMUNHY-UEVCKROQSA-N 382.935 4.760 0 40 GJAB COc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(OC)c3)c2C)c1 59474615 WBDYDXMQSIGPSC-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB Cc1cccc(C)c1OC1CCN(C(=O)c2cc3c(cc2O)CCCC3)CC1 65618555 LEBQFKOWIRQCDC-UHFFFAOYSA-N 379.500 4.571 0 40 GJAB Cc1cc(C)c2c(n1)sc1c(=O)[nH]c(-c3ccc(Br)cc3)nc12 78549436 YKNQWVICCFUPGB-UHFFFAOYSA-N 386.274 4.579 0 40 GJAB CCOc1cc(-c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)ccc1OC 85385009 DEGQCUYDYCRKGB-UHFFFAOYSA-N 381.476 4.756 0 40 GJAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc(C)c3)C2)cc1 89632078 CAOFEYTVHXHHNC-HSZRJFAPSA-N 390.508 4.843 0 40 GJAB O=C(CSCc1ccccc1)NCc1ccc(C(=O)c2cccs2)s1 90610573 JVUZHWRFYWUQQW-UHFFFAOYSA-N 387.551 4.590 0 40 GJAB Cc1ccc(OCCc2nnc(NC(=O)c3ccccc3Cl)s2)cc1C 95116433 WSFNALCGJOBJJE-UHFFFAOYSA-N 387.892 4.682 0 40 GJAB C[C@H](O)C[C@H]1CCCN1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 95434746 SKXWAIPGZXHBBY-FUHWJXTLSA-N 389.580 4.682 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Nc1ccccc1Cc1nc(C2CC2)no1 96119612 CRSCHQSAOUZBAA-UHFFFAOYSA-N 398.850 4.844 0 40 GJAB COc1ccccc1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119731 KZKNVQWPWGTMQG-UHFFFAOYSA-N 391.452 4.650 0 40 GJAB CC(C)(CNC(=O)c1ccc2c(c1)nnn2C1CCCCC1)c1ccccc1F 141588370 XQFSGYAHWWOHCF-UHFFFAOYSA-N 394.494 4.783 0 40 GJAB CCOC(=O)c1cn(Cc2ccccc2C)c2cc(C(F)(F)F)ccc2c1=O 199728597 IDLPVTBCIOYZNW-UHFFFAOYSA-N 389.373 4.554 0 40 GJAB COC(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1C 218976816 XNOFHMJFAIRKIB-UHFFFAOYSA-N 375.424 4.613 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)COc1ccccc1C 219337855 FSTDVZODTGWKQW-RXVVDRJESA-N 377.484 4.889 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 219481502 WWQXYNUWNZETDI-ZDUSSCGKSA-N 384.328 4.810 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1C(C)C)CC(C)(C)O2 222812828 FDWIEZKISVYULA-IBGZPJMESA-N 383.488 4.616 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)cc1 222900281 FOBRACRMMLYPJA-PMACEKPBSA-N 385.504 4.691 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 222942821 AAYBAPBGTVDZTC-SFTDATJTSA-N 376.529 4.501 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1C1CCCC1 225021832 CXGPATVMHPDODX-FGZHOGPDSA-N 388.540 4.787 0 40 GJAB CC[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(OC)c(C)c1 225815632 MYSVYVRQMPRIKV-QGZVFWFLSA-N 381.394 4.669 0 40 GJAB O=C(COc1ccccc1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257323838 WMAOHSIRAAUMQH-FQEVSTJZSA-N 396.874 4.661 0 40 GJAB COC(=O)c1c(NC(=O)CSCc2cc(C)cc(C)c2)sc2c1CCC2 408574786 DDWRKLIBFHNEJM-UHFFFAOYSA-N 389.542 4.512 0 40 GJAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1cccc(F)c1 408713339 UFAJGZKHMYTDLE-UHFFFAOYSA-N 382.460 4.919 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 409148996 VOSNVZKCXNGVJQ-HMMYKYKNSA-N 397.496 4.763 0 40 GJAB COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1 409328125 ZNHOKTJNKCWTSJ-PXNMLYILSA-N 375.833 4.598 0 40 GJAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 409330015 IXXHSABQSQQQSM-XDHOZWIPSA-N 394.496 4.793 0 40 GJAB CCCOc1ccc(Br)cc1-c1noc(Cc2cnccc2C)n1 664768354 UNPFUOGEZLYLKE-UHFFFAOYSA-N 388.265 4.582 0 40 GJAB CCCN(C(=O)c1ccccc1OCC)c1nnc(-c2ccccc2C)s1 1345308 SXVKUNLWUHHYSD-UHFFFAOYSA-N 381.501 4.969 0 40 GJAB C1=NC2=NC3=C([C@H](c4ccccc4)Oc4ccccc43)[C@@H](c3cccs3)N2N1 2253395 JNFBXKJPXGUGLE-RTWAWAEBSA-N 384.464 4.552 0 40 GJAB COc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccccn2)cc1 2358236 VWMNWWUNLNXLKC-UHFFFAOYSA-N 388.496 4.939 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(Cc1ccccc1)C3=O 2704579 JRLKPTPAJNDQLK-QFIPXVFZSA-N 397.430 4.552 0 40 GJAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc(Cl)c(C(F)(F)F)c1 3368439 GTGZBLMPEHPRMW-UHFFFAOYSA-N 389.704 4.577 0 40 GJAB CCOC(=O)c1c(C)[nH]c(C(=O)Oc2ccc3oc4ccccc4c3c2)c1C 3417027 MJDYWOGEFSTOSU-UHFFFAOYSA-N 377.396 4.927 0 40 GJAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(OC(C)C)cc1)CSC2 4087567 HCNRLYZJBWEYSL-UHFFFAOYSA-N 393.512 4.967 0 40 GJAB COc1cccc(NC(=O)CSC2=NC3(CCCC3)Nc3ccccc32)c1 4372227 XZQXLQWBCCQUMM-UHFFFAOYSA-N 381.501 4.510 0 40 GJAB O=C1CC2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)Oc2ccccc21 4505587 HKASONYMQZJGBD-UHFFFAOYSA-N 397.474 4.994 0 40 GJAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1c(F)cccc1Cl 4679272 HURRTZSYVGTOSI-UHFFFAOYSA-N 377.822 4.740 0 40 GJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1ccc(N(C)C)cc1 4849367 WPZHMGXXHWEDKI-UHFFFAOYSA-N 395.528 4.603 0 40 GJAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccc(Cl)cc2)NC(=O)N1 4953313 NISZBEVTTILJQT-KRWDZBQOSA-N 390.270 4.568 0 40 GJAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(C(C)C)cc1 6478258 ICQUGBYQMSYVRK-UHFFFAOYSA-N 391.500 4.845 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1 6880913 IKQGLKIKHTVJLV-UHFFFAOYSA-N 377.488 4.669 0 40 GJAB O=C(CCCCCNc1nc2ccccc2s1)OCC(=O)c1ccccc1 7778933 UVXZAEAYBKNHDQ-UHFFFAOYSA-N 382.485 4.695 0 40 GJAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2)cc1 9031506 MDUSNOAYRFVFRX-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccncc4)ccc3o2)cc1 9660103 ZSGHDHJUSKAFFS-UHFFFAOYSA-N 386.407 4.506 0 40 GJAB biogenic Cc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCCC3)n2)cc1C 10213555 BAOQBNMCKLTZST-UHFFFAOYSA-N 378.455 4.715 0 40 GJAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1cccc(F)c1 10964985 UBMOTLDYPZWCHL-UHFFFAOYSA-N 392.308 4.942 0 40 GJAB Cc1c(C(=O)Nc2nc3c(s2)CCCC3)sc2nc(-c3ccccc3)cn12 12289146 BCZLRNBFVWCCGR-UHFFFAOYSA-N 394.525 4.959 0 40 GJAB CN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccccc1N1CCCC1 12521498 WGHHZFLOFMXCCD-UHFFFAOYSA-N 382.895 4.622 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(C(F)(F)F)cc1 12624247 QPJBPRMYTFRTGG-UHFFFAOYSA-N 382.432 4.749 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(F)c(F)c1 12768381 ILEQTEJKPYIOSW-UHFFFAOYSA-N 382.414 4.592 0 40 GJAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)o2)cc1 12801036 YJSSBSGTPDOEMS-UHFFFAOYSA-N 389.436 4.920 0 40 GJAB CCCCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1CCC 13686374 OWTIPIADTHGFMI-UHFFFAOYSA-N 390.549 4.785 0 40 GJAB c1ccc(-c2cc(-c3ccccc3)[n+]3nc4[nH]c(-c5ccccc5)cn4c3n2)cc1 13763835 VDTZJGGXOHFRAS-UHFFFAOYSA-N 388.454 4.797 0 40 GJAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12 14404727 VMFOLAJCTFOXFU-UHFFFAOYSA-N 398.466 4.613 0 40 GJAB CCc1ccc([C@H](NCc2cc(=O)n3c(C)csc3n2)c2cccs2)cc1 15366502 UBFLOJLXSYHTCH-FQEVSTJZSA-N 395.553 4.568 0 40 GJAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Br)cc1 16751159 LIGIZENDWPXABI-KRWDZBQOSA-N 398.256 4.511 0 40 GJAB CCC(=O)N1CCCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 17248072 PTMGPXIXEHMJPC-UHFFFAOYSA-N 376.378 4.647 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1sccc1-c1ccccc1 17965773 SFHXMIWJHOEVLZ-UHFFFAOYSA-N 384.888 4.779 0 40 GJAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cc(C)nc1-c1ccccc1 19943798 ZLJCJKKVRQIQJI-UHFFFAOYSA-N 384.501 4.536 0 40 GJAB O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1ccccc1Cl 20765254 KUBDNGXHCSMPGI-UHFFFAOYSA-N 396.697 4.710 0 40 GJAB O=C(c1cc(Cl)ccc1F)N(Cc1ccc2c(c1)OCO2)C1CCCC1 29764978 CDLKPXMQAQNLAO-UHFFFAOYSA-N 375.827 4.793 0 40 GJAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(SC2CCCC2)cc1 30183325 JBJGXTLSZBFTCE-UHFFFAOYSA-N 388.558 4.932 0 40 GJAB Cc1cccc(Cn2nc(C)c(NC(=O)c3ccccc3Br)c2C)c1 32610079 WZZKCOBCMXZNGF-UHFFFAOYSA-N 398.304 4.871 0 40 GJAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N(C)C)no2)cc1C 32623109 CQJTZZSWCSIYIB-HXUWFJFHSA-N 397.906 4.645 0 40 GJAB CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CNCc3cccnc3)C=C2C)o1 35442704 WGWNEXHMUDGHFK-ACRUOGEOSA-N 382.552 4.604 0 40 GJAB biogenic,in-vitro CC[C@H](C(=O)Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1)c1ccccc1 41076514 JDQHCOFXLJIFAA-HNNXBMFYSA-N 397.891 4.639 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 44911932 ZURREOHIXSUHKA-UHFFFAOYSA-N 394.515 4.800 0 40 GJAB c1ccc(-c2cnc(SCc3nc4ccccc4[nH]3)n2C[C@@H]2CCCO2)cc1 46761223 GGUDOKRMHIITLO-KRWDZBQOSA-N 390.512 4.898 0 40 GJAB Cc1cc(N2CCOCC2)ccc1N[C@H](C)c1nc2ccccc2n1C(F)F 46835117 WWKVXWIQTKVPOM-OAHLLOKOSA-N 386.446 4.750 0 40 GJAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccnc(OCc2ccccc2)c1 64720797 XHEBZWBWMHCAON-LJQANCHMSA-N 394.471 4.767 0 40 GJAB CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)c1 67295396 RYUFQEUNIIAQCC-GYHWCHFESA-N 390.464 4.910 0 40 GJAB COC(=O)c1cc(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)ccc1Cl 79058188 UBTOZUKGRMMJBR-VIFPVBQESA-N 385.819 4.524 0 40 GJAB Cc1ccc(CCC(=O)Nc2cccc3c2CN(c2nccs2)C3)c(C)c1 89612131 JKNFSGRKKLMLQX-UHFFFAOYSA-N 377.513 4.851 0 40 GJAB Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2nc(C3CC3)cs2)c1 95405444 RJFQEKYBRMUNJJ-UHFFFAOYSA-N 378.501 4.958 0 40 GJAB O=C(C[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21)NCC1CC1 96052666 MSSUOKUHMJXOQE-FQEVSTJZSA-N 394.584 4.686 0 40 GJAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)NC(C)C)cc34)cs2)cc1 96154433 PNRBYEWFIGQZFS-UHFFFAOYSA-N 393.468 4.765 0 40 GJAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=S)Nc1ccc(Cl)cc1 100426973 GMZVTKRTZFIFLE-IRXDYDNUSA-N 393.984 4.585 0 40 GJAB Cc1ccc(OCCN2CCCC2)c(NC(=O)c2cc3cc(C)ccc3n2C)c1 141573841 BAHYNHLONVGACK-UHFFFAOYSA-N 391.515 4.522 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219314214 ODXDUCHDDNAPSW-OALUTQOASA-N 383.488 4.580 0 40 GJAB COc1ccc(/C=C(/C(=O)NCCOCc2ccccc2)c2ccccc2)cc1 223427955 KLFOEFBGRDIENJ-HKOYGPOVSA-N 387.479 4.569 0 40 GJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225693640 DUXDJFNQKAACJH-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1cc(-c2ccccc2)on1 225897873 OFMYIXBMQVUEEY-LBPRGKRZSA-N 383.245 4.696 0 40 GJAB O=C(CSc1nc2ccccc2o1)NCc1nc(C2CCCCC2)cs1 390832337 YTEHIGGIOVYCEO-UHFFFAOYSA-N 387.530 4.741 0 40 GJAB COc1c(F)c(F)c(C(=O)Nc2ccc3c4c(cccc24)CC3)c(F)c1F 408628877 GBZVJPOQRQJJQD-UHFFFAOYSA-N 375.321 4.756 0 40 GJAB CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1C 521219286 ZQHGXFVYCKDQOF-UHFFFAOYSA-N 390.698 4.911 0 40 GJAB O=C(c1cccc(Oc2ccncc2)c1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 561604674 SKBOJQJIXXWFIX-NRFANRHFSA-N 394.858 4.821 0 40 GJAB COc1ccc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)(C)C)cc1Cl 585152357 STNBYSSRDPWYPD-QGZVFWFLSA-N 399.878 4.916 0 40 GJAB CC(=O)N1CCC[C@H](NCc2c(C)cccc2Cl)[C@@H]1Cc1cccc(C)c1 585284650 GQFNKTDXXYIBOO-GOTSBHOMSA-N 384.951 4.669 0 40 GJAB Nc1c2c(nc3c1cnn3-c1ccc(Cl)cc1)C[C@@H](c1ccccc1)CC2=O 618256215 FYXCFJGQMTZVBB-CQSZACIVSA-N 388.858 4.569 0 40 GJAB Cc1nc(C2CCCCC2)sc1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C 1521731859 BIPORWFENUTDAH-INIZCTEOSA-N 380.554 4.595 0 40 GJAB Cc1ccccc1-n1c(-c2ccccc2F)nc2c(cnn2-c2ccccc2)c1=O 752762 BUKRCICRNQXJCV-UHFFFAOYSA-N 396.425 4.686 0 40 GJAB c1cc2c(cc1-c1nc3sc(-c4ccc5c(c4)OCO5)nc3s1)OCO2 978499 PFEQXMIKPFBNIQ-UHFFFAOYSA-N 382.422 4.544 0 40 GJAB C[C@H](NNC(=S)N1CCC(c2ccccc2)CC1)c1ccc2ccccc2n1 1580099 HCMUXDYUCOJQDE-KRWDZBQOSA-N 390.556 4.555 0 40 GJAB CC(C)[C@H]1Cc2c(sc3nc(SCc4cccc(F)c4)nc(N)c23)CO1 2226117 CSXDFTJIJFQVFW-CQSZACIVSA-N 389.521 4.802 0 40 GJAB COc1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1OC 2662614 GVRISXXELBOGNJ-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB Cc1cccc(CN2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 2734678 YMCABVULDBFJDH-VWLOTQADSA-N 390.571 4.688 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2ccc(O)cc2)c2ccccc2)c1 3441610 OTZGLKQHRMREPC-NRFANRHFSA-N 375.424 4.546 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)cc1 3510307 QFLDQTVKTNKDJD-LLVKDONJSA-N 396.668 4.711 0 40 GJAB CCCc1cc(=O)oc2c(C)c(O[C@H](C(=O)OCC)c3ccccc3)ccc12 4747400 AHVRCKICGWAYFY-QFIPXVFZSA-N 380.440 4.737 0 40 GJAB CCc1cccc(C)c1NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 4966388 VJJHVIOMDXCPBZ-UHFFFAOYSA-N 393.556 4.985 0 40 GJAB COc1cccc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccc(C)cc3[nH]2)c1 5626084 VACRLNFPXPRBJV-JOCHJYFZSA-N 385.467 4.594 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 6128495 CZGPDJPEYFHNDL-SFHVURJKSA-N 388.467 4.504 0 40 GJAB CCOc1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1OCC 6249709 STKLSHBWRZVILH-UHFFFAOYSA-N 382.382 4.553 0 40 GJAB CC(=O)Nc1ccc2c(CSc3cc(C)c4ccccc4n3)cc(=O)oc2c1 6831471 WYOKYYXSBCIUEG-UHFFFAOYSA-N 390.464 4.900 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 7792334 NWVQJQAHBIYEOI-UHFFFAOYSA-N 375.852 4.576 0 40 GJAB Cc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1Cl 8288060 GGKGUDPQZCNOMY-UHFFFAOYSA-N 393.295 4.885 0 40 GJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3C)c3ccccn23)cc1C 9316470 HYYMNHHNTKYYNX-UHFFFAOYSA-N 397.478 4.930 0 40 GJAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccncc2)c(C)c1 9455731 JXWRAANMBNHLLD-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB COc1cc(N)c(Cl)cc1C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F 9685468 ASALWXZCECQEBU-SECBINFHSA-N 395.793 4.594 0 40 GJAB O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)[C@H]1Cc2cc(Cl)ccc2O1 12148546 XPYKLGHEYWABPH-UXHICEINSA-N 399.277 4.598 0 40 GJAB COc1ccccc1CCNCc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 12409421 GKBOLJVALIKLME-UHFFFAOYSA-N 385.847 4.639 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2[C@@H](C)c2nnc(-c3cccs3)o2)c1 12699949 JTPRPTRNEKVBLP-BBRMVZONSA-N 385.489 4.713 0 40 GJAB CC(C)n1ncc2cc(C(=O)N(C)C(c3ccccc3)c3ccccc3)cnc21 12821335 DGSZXDYKSRLYGI-UHFFFAOYSA-N 384.483 4.874 0 40 GJAB COc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 12867966 HCOKCNVIPXSPQC-UHFFFAOYSA-N 388.876 4.565 0 40 GJAB Cc1ccc(OCc2nc(CC(=O)NC34CC5CC(CC(C5)C3)C4)cs2)cc1 14183711 LXTXYNPFRWKWTO-UHFFFAOYSA-N 396.556 4.658 0 40 GJAB COc1ccc(-c2nnc(SCc3nc(-c4ccc(C)c(F)c4)no3)o2)cc1 14196448 PSHJKLHPKPVAHB-UHFFFAOYSA-N 398.419 4.535 0 40 GJAB CCCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)c2cccnc12 15841015 BNUWEYYPWIBQOQ-LJQANCHMSA-N 382.435 4.959 0 40 GJAB CSc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)cc1 16851036 CKXBCZBSLIDNNT-UHFFFAOYSA-N 380.498 4.765 0 40 GJAB OCCNCCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1 16957873 OUGZFJVFHAPYBT-VHXPQNKSSA-N 393.914 4.803 0 40 GJAB CCOc1ccc(N2CCn3c(SCc4cccc(Cl)c4)nnc32)cc1 17307792 ICXIZCWPHLUPPK-UHFFFAOYSA-N 386.908 4.774 0 40 GJAB CC(C)(c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 17859705 DEWXRCRCTHMYAO-ULBZPVTCSA-N 393.486 4.814 0 40 GJAB COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(F)cc1)[C@H]3c1cccnc1 19563272 ADPHVLZIYHZESK-DEOSSOPVSA-N 387.458 4.858 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1C 22523169 FXLXGDFVXMNFBC-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB CC(C)CC(=O)Nc1ccc(NCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 25495177 PDOLMACAGAMQQF-UHFFFAOYSA-N 390.483 4.878 0 40 GJAB CCCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)c1 27662122 ATMCRAZULUMUDK-HSZRJFAPSA-N 380.532 4.741 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)no1 27852006 FFIKGRLZGYINAS-CHWSQXEVSA-N 399.438 4.521 0 40 GJAB CCn1c(SCc2ccc(F)cc2)nnc(N(c2ccccc2)C(C)C)c1=O 28538790 IBLQZRLJFCQOSI-UHFFFAOYSA-N 398.507 4.636 0 40 GJAB O=C(NCc1ccccc1F)N[C@H](COc1ccccc1F)c1ccccc1 32937013 XMVWUKAYXIZCEI-HXUWFJFHSA-N 382.410 4.584 0 40 GJAB Cc1ccc2c(=O)cc(CSCC(=O)Nc3cccc(Cl)c3)[nH]c2c1C 33064026 WCISOSICYYUCBO-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB CC(=O)c1cccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C2CCCCC2)c1 35292367 RCVGWLSFFCWWCV-XDNSSPFJSA-N 383.536 4.729 0 40 GJAB O=C(CSCc1ccc(Cl)s1)N1CCC(c2ccc(O)cc2)CC1 55551785 SGPPQYVJSGTWTQ-UHFFFAOYSA-N 381.950 4.747 0 40 GJAB O=C(Nc1ccc(I)cc1)c1ccc2c3c(cccc13)CC2 59463122 PMTTYTNEICHFSC-UHFFFAOYSA-N 399.231 4.795 0 40 GJAB Cc1ccccc1Cc1cnc(NC(=O)c2ccc3nc(C)c(C)nc3c2)s1 60688671 SLNIKPSUCXPCNR-UHFFFAOYSA-N 388.496 4.855 0 40 GJAB COc1cccc(-n2c(SCc3ccccc3C)nc3ccccc3c2=O)c1 67259222 NHEAYPWQRJZPQV-UHFFFAOYSA-N 388.492 4.995 0 40 GJAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1F)N1CCCC1 67288241 MAYWLEIEASBBCM-UHFFFAOYSA-N 385.389 4.500 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H]2CCc3ccccc32)cc1 72329016 BLAMOBZYHNEDAZ-OAQYLSRUSA-N 375.472 4.673 0 40 GJAB COc1ccc(CN2CCC[C@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 72379124 MVHIAGSPBUYBGR-FQEVSTJZSA-N 390.531 4.779 0 40 GJAB O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1ccccc1F 95945873 QDZOJXMIWYIXSS-UHFFFAOYSA-N 393.805 4.635 0 40 GJAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc(-c4ccc(C)s4)[nH]n3)o2)cc1 95948753 KJEPRPNJTQPXIS-CYBMUJFWSA-N 394.456 4.723 0 40 GJAB Cc1noc(-c2ccccc2C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)n1 95961416 JYMFQZCDRXNIOQ-UHFFFAOYSA-N 394.431 4.868 0 40 GJAB Cc1cccc(-c2nc3ccc(NC(=S)NC(=O)c4ccccc4)cc3o2)c1 98086906 BYOKTHFZIVUVPH-UHFFFAOYSA-N 387.464 4.930 0 40 GJAB O=C(Nc1ccc(F)cc1)Nc1c(NC2CCCC2)c2ccccc2oc1=O 101095877 RKJFGTCRRLNRLF-UHFFFAOYSA-N 381.407 4.931 0 40 GJAB COc1ccc(C2=C(c3nc4ccccc4[nH]3)CC(c3ccccc3)=NN2)cc1 102732411 JODKZRHVMCSNDH-UHFFFAOYSA-N 380.451 4.837 0 40 GJAB O=C1C[C@H]2C[C@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 104105598 WGDFXKOCGPJSKU-MMCJCJDPSA-N 380.913 4.673 0 40 GJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)s1 224554414 SZYFWXBCTWZUIN-RTBURBONSA-N 381.526 4.637 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(Br)ccc2Cl)c1 225076888 PLXCCARXOFKIGN-JTQLQIEISA-N 398.684 4.611 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OCC 225681531 RCLBAQBFOCAHAA-UHFFFAOYSA-N 399.462 4.852 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OCC)ccc1O[C@H](C)CC 225818954 DRVOGFUKSDQIQN-OPAMFIHVSA-N 393.524 4.820 0 40 GJAB COc1cccc(-c2noc(CCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)c1 225823193 NAJLNWQFEHCFFR-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225826639 ADNPFDDKZJECAN-ZHRRBRCNSA-N 393.524 4.965 0 40 GJAB CCCO[C@@](C)(C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1)C1CC1 225858080 DAVZCHZLHZHWTP-IVZQSRNASA-N 391.508 4.574 0 40 GJAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCC(Cc2ccccc2)CC1 225876518 VAHQNEODIQQHSW-IBGZPJMESA-N 377.528 4.814 0 40 GJAB Cc1ccc2c(Cl)c(C3=N/C(=C\c4ccc(C(=O)O)cc4)C(=O)O3)sc2c1 408969710 SHJWMXNLAITYAM-ZROIWOOFSA-N 397.839 4.906 0 40 GJAB CC[C@H](N[C@H](c1nc(C(C)C)no1)C1CCOCC1)c1ccc(F)cc1F 509069246 PLRCLBCMNRFAJQ-ROUUACIJSA-N 379.451 4.680 0 40 GJAB Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F 654059004 VEIDWDYOKMIQFR-SJLPKXTDSA-N 393.409 4.679 0 40 GJAB O=C(Nc1cc2c(cn1)CCCC2)c1ccccc1C(=O)c1ccc(F)c(F)c1 1274051480 ZZYUDZVBWXAHDK-UHFFFAOYSA-N 392.405 4.722 0 40 GJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccccc3C)CC2)n1 1848356949 OQFUSVDDVOLLJH-UHFFFAOYSA-N 389.499 4.936 0 40 GJAB CCOc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SCC)nc2O1 996385 GGZYWXINLMOVPE-GOSISDBHSA-N 380.473 4.552 0 40 GJAB O[C@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 1568067 YZLLVZLRDRSNKO-QMTHXVAHSA-N 392.343 4.838 0 40 GJAB CC(C)CC(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 2223560 BRXTVCLZMXLUMQ-UHFFFAOYSA-N 389.249 4.948 0 40 GJAB COc1cccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)c1 2723146 JMPIOVKELVNYSN-UHFFFAOYSA-N 389.480 4.765 0 40 GJAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)c1 3226792 RACBGYWLCNXCFB-UHFFFAOYSA-N 389.451 4.678 0 40 GJAB O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccccc1-c1ccccc1 3329414 HLZJMEXSKSHIES-BUHFOSPRSA-N 375.399 4.688 0 40 GJAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccc(F)c(F)c1 3349691 RJPQDXBGPZRHHP-UHFFFAOYSA-N 381.787 4.628 0 40 GJAB CC(C)c1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3372006 XWFHQYIRMHOOJE-UHFFFAOYSA-N 387.479 4.873 0 40 GJAB Cc1ccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)cc1C 5392175 WXVWFMQLXAABED-UHFFFAOYSA-N 379.514 4.695 0 40 GJAB COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1O 6478655 UXEFBFZTANNMHJ-SXGWCWSVSA-N 389.860 4.599 0 40 GJAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccccc1F 6543713 FYMNOZWEGGLGAI-UHFFFAOYSA-N 377.491 4.533 0 40 GJAB Clc1ccc(COc2ccc(Cl)cc2CNn2cnnc2)c(Cl)c1 7602615 SZGWMJQOKIIXQK-UHFFFAOYSA-N 383.666 4.561 0 40 GJAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 7881928 UWNLDOKGZPIICU-ZDUSSCGKSA-N 377.271 4.547 0 40 GJAB COc1ccc2cc(CN(C)CC(=O)Nc3cc(Cl)ccc3C)ccc2c1 7926565 AQCMWPPEZODXJK-UHFFFAOYSA-N 382.891 4.881 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 7928907 YZEQWWHXQPTSHM-OAHLLOKOSA-N 385.891 4.986 0 40 GJAB Cc1[nH]c2ccc(C(=O)NCc3ccccc3CN3CCCCC3)cc2c1C 9865275 KJPXZKPRQNMIFL-UHFFFAOYSA-N 375.516 4.701 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Nc3nc4ccc(F)cc4s3)no2)cc1 11915163 MLXWEJXHCLZNIF-UHFFFAOYSA-N 383.404 4.741 0 40 GJAB COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)c1 12371555 MVHNPQGGSBECME-OAHLLOKOSA-N 397.427 4.735 0 40 GJAB CCOc1cc(/C=C/C(=O)OCc2ccccn2)ccc1OCc1ccccc1 12546790 KNNSMOGTANHONG-WYMLVPIESA-N 389.451 4.816 0 40 GJAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1c(F)cccc1F 12789232 NXIFKTQVWDWQSM-UHFFFAOYSA-N 382.414 4.510 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(Cl)cc1 12902482 FFXNFYLHKZWTKJ-UHFFFAOYSA-N 380.879 4.967 0 40 GJAB CCn1c([C@@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)nc2ccccc21 13031022 GUEPQQZIWDECGW-OAQYLSRUSA-N 387.458 4.909 0 40 GJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O 14095089 PKMMEPAEMBMWKY-IBGZPJMESA-N 391.515 4.621 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(c2ccccc2Cl)C1 14427149 WEWVRARIDHQDGP-JTQLQIEISA-N 383.662 4.638 0 40 GJAB COc1ccccc1[C@H]1N(c2ccccc2)N=C(C(C)=O)N1c1ccc(F)cc1 16138879 VJZFSOSVCMCYNK-HSZRJFAPSA-N 389.430 4.762 0 40 GJAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)Nc1ccc(Cl)cc1 17191778 IKOVLGVCSBZRQU-UHFFFAOYSA-N 394.887 4.781 0 40 GJAB Cc1ccc(-c2nnc([C@@H]3CCCN(CCOc4ccc(F)cc4)C3)o2)s1 19217600 QSDLMOFGNGXQAQ-OAHLLOKOSA-N 387.480 4.504 0 40 GJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cccnc3)cc2N1 19451300 WBWXIMQERGWJRU-RYQLBKOJSA-N 393.457 4.559 0 40 GJAB COc1ccccc1C1(O)CCN(Cc2ccccc2OC2CCCC2)CC1 19569269 MAIXQQXKSZFBRY-UHFFFAOYSA-N 381.516 4.500 0 40 GJAB CCCn1nc(NC(=O)c2ccccc2OCC)c2cc3cccc(C)c3nc21 21596540 XCBKXLDEPUPIBK-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB CCCCc1nnc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)s1 22573663 SJISGMTUIKYNFM-UHFFFAOYSA-N 386.525 4.582 0 40 GJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1sc(-c2ccccc2)nc1C 22609112 MUZNWOAIJHAWAL-UHFFFAOYSA-N 394.496 4.552 0 40 GJAB Cc1cc(OCn2ccc(C(=O)N3c4ccccc4C[C@H]3C)n2)cc(C)c1Cl 27972841 SPBKOYJDHVXDSX-MRXNPFEDSA-N 395.890 4.781 0 40 GJAB COc1cc2c(cc1OC)CN(Cc1c(-c3ccccc3)nc3ccccn13)CC2 30673005 BBQQAGTWPROBGU-UHFFFAOYSA-N 399.494 4.577 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccccc1F 30869031 SZJHYMABHOOYNC-GOSISDBHSA-N 381.900 4.686 0 40 GJAB Cc1cc(C)n(CCN(C(=O)C2CC2)c2nc3c(C)cc(Cl)cc3s2)n1 35597630 WNGIVPDMBOXNCN-UHFFFAOYSA-N 388.924 4.515 0 40 GJAB O=C(O)c1cn(-c2cccc(Cl)c2)nc1-c1ccc(Br)s1 38002129 ZYVNHMOIABMPRB-UHFFFAOYSA-N 383.654 4.715 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38849381 LCWMETPBAOVELL-OAHLLOKOSA-N 393.314 4.853 0 40 GJAB C[C@H]1CC(=O)c2c(Oc3ncnc4c3cnn4-c3ccccc3)ccc(Cl)c21 40083139 FFTPQWVAXXAGDD-LBPRGKRZSA-N 390.830 4.951 0 40 GJAB Cc1cc(S(=O)(=O)N(Cc2ccsc2)C2CC2)c(Cl)cc1Cl 44446737 KHUHOKKJUSHFFA-UHFFFAOYSA-N 376.330 4.717 0 40 GJAB Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 46078385 BOWGVNBMAICQIK-UHFFFAOYSA-N 384.479 4.518 0 40 GJAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c(OC)c1 49544105 CDXMTSRSBIKEAJ-MRXNPFEDSA-N 397.862 4.726 0 40 GJAB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1cccnc1Nc1cccc(F)c1 53395841 KRUDKXXBUFJTCE-CQSZACIVSA-N 383.854 4.979 0 40 GJAB O=C(NCC[C@H](O)c1ccccc1)Nc1ccc(N2CCCCC2)c(Cl)c1 72309881 MLRHAPAPXWEDMH-FQEVSTJZSA-N 387.911 4.576 0 40 GJAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)Cc4ccncc4)C3)c2)c1 72356122 YQYKHSIIKXQEQE-DEOSSOPVSA-N 399.538 4.633 0 40 GJAB O=C(Nc1c(F)cc(F)cc1-c1ccccc1)c1cc(=O)[nH]c2ccccc12 89851101 KTPOXLFZPLXZRR-UHFFFAOYSA-N 376.362 4.726 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CCSc4c(F)cccc43)cc2)n1 95392529 VGOCBWQZXYUJLN-FQEVSTJZSA-N 395.503 4.654 0 40 GJAB CC(C)n1cc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)cn1 95958512 FLMZYMHUNOCHAC-HWKANZROSA-N 386.249 4.643 0 40 GJAB COCCn1ccc2c(C(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)cccc21 96222957 BJGRRPCLCUEVFJ-NRFANRHFSA-N 387.483 4.576 0 40 GJAB Cc1[nH]c2ccc(F)cc2c1-c1cn2c3c(nnc2n1)[C@@H]1CC[C@]3(C)C1(C)C 100483614 PTUDAWPHGFOBQT-FPTDNZKUSA-N 375.451 4.895 0 40 GJAB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(O)C[C@@H](c3ccco3)CC1=N2 102662963 MYTXRCKEAJMNIF-JEOXALJRSA-N 382.370 4.523 0 40 GJAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225158262 RPQWUYZSLJAQQG-HNNXBMFYSA-N 384.501 4.667 0 40 GJAB Cc1cccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)n1 225347062 WPIDEOUPVKAMRT-UHFFFAOYSA-N 386.373 4.917 0 40 GJAB O=C(NCc1ccnc(-c2ccco2)c1)c1ccc(Oc2nccs2)cc1 225657048 KXXORHDWGAHUSK-UHFFFAOYSA-N 377.425 4.520 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1C 225678583 ZFCDPCOYRITJLK-SFHVURJKSA-N 398.528 4.679 0 40 GJAB CC(C)c1ccc(NC(=O)Cn2ccc(=O)c3ccc(Br)cc32)cc1 225738999 YLYDDFOCGCFJDQ-UHFFFAOYSA-N 399.288 4.526 0 40 GJAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(F)c(F)c2)cc1OCC 225750745 RLUNIFQEGCKXIW-LBPRGKRZSA-N 380.460 4.810 0 40 GJAB O=C(c1ccccc1)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 225812554 VVYFEMPXFZLBEH-UHFFFAOYSA-N 385.463 4.605 0 40 GJAB Cc1ccccc1-c1noc(CCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 225815819 RMDICTNYFPOIQL-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCC)cc1C(=O)OCC 225824966 ICKNYOPUNPUELI-JOCHJYFZSA-N 393.524 4.966 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCC(C)CC2)ccc1OC(C)C 225834486 HMWSXVZLTIHOIC-UHFFFAOYSA-N 391.508 4.574 0 40 GJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)S1 260788388 ZRHRZJNQTBBKAQ-JSNMRZPZSA-N 378.476 4.601 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 408653996 FWFSTQFFGOUEEI-RXVVDRJESA-N 385.463 4.869 0 40 GJAB CC(C)CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2s1 408750842 SIHZVJIXSOBJDL-ZIAGYGMSSA-N 392.546 4.874 0 40 GJAB C[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)[C@H]1OCCc2sccc21 569013528 DVVGCHWGIZCOJM-XUSGNXJCSA-N 396.487 4.745 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)c2cccc(F)c2F)CN1c1cccc(F)c1 1615156004 JOSSYXOSWXAZAI-JOCHJYFZSA-N 388.433 4.768 0 40 GJAB CC(C)(O)c1ccc(CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)cc1 1638999334 DPOAAKMKRAUDFO-UHFFFAOYSA-N 398.506 4.847 0 40 GJAB Cc1ccc(CNc2ccc(-n3cccn3)c(Cl)c2)c(-c2cnn(C)c2)c1 1656796518 GJTMIFUDJLKKQM-UHFFFAOYSA-N 377.879 4.847 0 40 GJAB CC(C)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O 797315 WSZXERYZJQGNTA-UHFFFAOYSA-N 392.238 4.607 0 40 GJAB CN(C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)cs1 932821 PWNOBOUWJRJYSC-UHFFFAOYSA-N 376.840 4.644 0 40 GJAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(NC(C)=O)cc1 955151 GESSFIHMJCBDMQ-UHFFFAOYSA-N 377.444 4.676 0 40 GJAB Cn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccs1 1468060 ZHLYOERVIOQXNA-UHFFFAOYSA-N 384.313 4.825 0 40 GJAB COc1ccc(Oc2c(C)oc3cc(OC(=O)c4ccco4)ccc3c2=O)cc1 2098875 ZBKASVNBKCIENT-UHFFFAOYSA-N 392.363 4.715 0 40 GJAB biogenic Cc1cnc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)s1 2639525 KWZKAEKKAZDPKL-QGZVFWFLSA-N 399.903 4.605 0 40 GJAB Cc1ccc([C@H]2C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1C 2919610 FTFNSWZPOJLMFL-QZTJIDSGSA-N 383.293 4.804 0 40 GJAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)Nc1ccccc1 3135902 VOKXTLLSRGWJDU-UHFFFAOYSA-N 375.428 4.900 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc2ccccc2c1 3307471 WVBVHIBASXPNOU-UHFFFAOYSA-N 391.467 4.941 0 40 GJAB COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1-c1ccccc1 3401636 HCYFYFSVJGNCNA-UHFFFAOYSA-N 381.501 4.650 0 40 GJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cccc2ccccc12 4548618 ZKQJLFQSHGJDPW-UHFFFAOYSA-N 379.416 4.760 0 40 GJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)cc2)n2c(nc3ccccc32)N1 4741900 RSERZJANTGQDDB-OAQYLSRUSA-N 391.471 4.677 0 40 GJAB Cc1cc2oc(=O)c(CC(=O)N3CCCC3)c(C)c2c2occ(C(C)(C)C)c12 4744392 XIJXFZWMAWJEMT-UHFFFAOYSA-N 381.472 4.618 0 40 GJAB Cc1ccc(NC(=O)NC2(C(=O)Nc3ccc(F)cc3F)CCCCC2)cc1 4967912 UYCXXAKOJQUYLF-UHFFFAOYSA-N 387.430 4.736 0 40 GJAB CC1(C)Cc2nc(-c3ccccc3)nc(SCCN3CCCCC3)c2CO1 5268963 XLCSEAXMYXBSKI-UHFFFAOYSA-N 383.561 4.573 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1Cc1ccccc1 5576577 KGCRMYSJIRAWIB-OAQYLSRUSA-N 385.394 4.678 0 40 GJAB O=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1cccnc1Cl 6064321 XXXSPOAKVZRELX-UHFFFAOYSA-N 390.826 4.923 0 40 GJAB CCOc1ccc(CC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 7614613 GNZZEPIGOCLUPV-UHFFFAOYSA-N 383.498 4.794 0 40 GJAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1Cl 7940771 UOKNLHSLURJOJL-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 8041541 ZSIXPFWLZQWGRR-UHFFFAOYSA-N 388.467 4.656 0 40 GJAB COc1ccc(CCNCc2cccc(OC)c2OCc2ccccc2)cc1 8474511 KXHGBGABADQNLW-UHFFFAOYSA-N 377.484 4.615 0 40 GJAB COc1ccccc1-c1nc(CN(C)CC(=O)Nc2cccc(C)c2C)cs1 12758318 NFTZGKDBQZXXCC-UHFFFAOYSA-N 395.528 4.506 0 40 GJAB Cc1nc(NCc2ccc(-n3ccnc3)nc2)c2c(-c3ccccc3)csc2n1 12777854 ZTPYNNKDZORMLV-UHFFFAOYSA-N 398.495 4.860 0 40 GJAB COc1ccc(-c2csc3ncnc(Sc4nnc(C5CC5)o4)c23)cc1 12808958 SUPICPFEPYJWES-UHFFFAOYSA-N 382.470 4.779 0 40 GJAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccc(Cl)cc3Cl)ccc(F)c21 12859786 VDIQWCLZCFKNQS-SECBINFHSA-N 382.218 4.840 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCC3)n2C2CCCC2)cc1 12920770 ZXZXSPIZSMCPKQ-UHFFFAOYSA-N 398.576 4.682 0 40 GJAB CC1CCN([C@@H](CNC(=O)c2cc(Cl)ccc2F)c2cccs2)CC1 13008842 CSXAHNCNDUOHJF-KRWDZBQOSA-N 380.916 4.744 0 40 GJAB Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)CC2)c1C 14396819 XLUJAQRJYAWWPS-HXUWFJFHSA-N 394.559 4.717 0 40 GJAB C[C@H]1CCc2c(sc3ncn4nc(C56CC7CC(CC(C7)C5)C6)nc4c23)C1 15107788 HUORWJDSZIVIIQ-URNNUDQISA-N 378.545 4.932 0 40 GJAB COc1ccc(-c2c/c(=N\[C@H](C(=O)O)C(C)C)c3cc(C)cc(C)c3o2)cc1 19793972 JNYUDRRTZBSFGC-WGHBEHPSSA-N 379.456 4.735 0 40 GJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(NC(=O)C2CC2)cc1 23174384 OFWMSHGUGLJOKN-HNNXBMFYSA-N 391.471 4.684 0 40 GJAB Cc1nc(NC[C@H](CO)Cc2ccco2)c2c(-c3cccs3)csc2n1 24206168 SZGPIZLATSKWLS-CYBMUJFWSA-N 385.514 4.584 0 40 GJAB Cc1c([C@@H](C)NC(=O)c2cccc(F)c2)cnn1-c1cccc(C(F)(F)F)c1 24755274 GTQQOLAFAHUYJL-GFCCVEGCSA-N 391.368 4.830 0 40 GJAB COc1ccc([C@H](NCc2nc(-c3cccs3)no2)c2ccccc2)cc1 24923707 VZULHOAHLVNLNS-HXUWFJFHSA-N 377.469 4.686 0 40 GJAB COc1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1Br 25363599 SZXBOTCQBIHHNA-HXUWFJFHSA-N 383.289 4.732 0 40 GJAB COc1cc(C(=O)Nc2cc3c(cc2Cl)OCO3)cc(Cl)c1OC(C)C 27219383 GLDOQGPQUMOSRU-UHFFFAOYSA-N 398.242 4.770 0 40 GJAB CC[C@H]1CSc2n1c(-c1ccc3c(c1)OCCO3)c[n+]2-c1ccc(Cl)cc1 27788808 PAGYQGBQMZWJIN-INIZCTEOSA-N 399.923 4.913 0 40 GJAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2sc(-c3ccsc3)nc2C)c1 30273806 LGSCMNHKGXSDGR-NSHDSACASA-N 385.514 4.629 0 40 GJAB COc1ccccc1NC1=NC(=O)/C(=C\c2cccc(Br)c2)S1 35647500 XQVSHZCOTMWPTB-XNTDXEJSSA-N 389.274 4.540 0 40 GJAB Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)c2ccc(Cl)cc2)cc1 36293453 VUQLGEIVNSFABU-UHFFFAOYSA-N 398.915 4.840 0 40 GJAB CC(C)NC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12 36618422 BRCXCRSAPGCEHU-UHFFFAOYSA-N 381.432 4.896 0 40 GJAB COc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1Cn1ccnc1C 36752958 QKKVOJSJXZIHFN-QFIPXVFZSA-N 379.479 4.725 0 40 GJAB Cc1ccc(CN2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)cc1 55393855 RZOGTNRWBNERTC-UHFFFAOYSA-N 375.468 4.641 0 40 GJAB biogenic COc1cc(OC)c(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1Cl 57412680 SSBKAQFTRIMVGO-UHFFFAOYSA-N 392.242 4.653 0 40 GJAB C[C@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccc(Br)s1 57681160 NBQCABZLGXOBKN-LLVKDONJSA-N 377.307 4.695 0 40 GJAB CC(=O)c1c(C)[nH]c(-c2csc(C3(NC(=O)OC(C)(C)C)CCC3)n2)c1C 69588943 IJHJRAOIBFWLAA-UHFFFAOYSA-N 389.521 4.862 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](c1ccccc1)N1CCCCC1 72427755 GFWZFHQXKQZFMQ-NRFANRHFSA-N 389.499 4.607 0 40 GJAB CC1(C)C[C@H](NC(=O)C[C@@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)CCO1 95478220 JXRMNOPSHXLVAJ-GCJKJVERSA-N 393.955 4.631 0 40 GJAB O=C1c2c(nc3ccccc3c2-c2ccccc2)CN1c1ccc2c(c1)OCO2 96026298 KHWVXCJAEMSNPR-UHFFFAOYSA-N 380.403 4.791 0 40 GJAB COc1ccc(OC)c(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c1 97151159 MNKWYFVTIBKVQU-LBPRGKRZSA-N 382.287 4.773 0 40 GJAB CCc1sc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4=C(C)C)[C@H]3C2=O)nc1-c1ccccc1 102626112 SJECLOIEXPEKND-ILRDRHFLSA-N 392.524 4.854 0 40 GJAB O=c1[nH]c(CSC[C@H]2CCCO2)nc2scc(-c3ccc(Cl)cc3)c12 170595387 KATPCIPLNZKKMO-CYBMUJFWSA-N 392.933 4.717 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(Cl)cc1 219605755 IESBHMOZTMCMQT-IBGZPJMESA-N 375.896 4.645 0 40 GJAB CCOc1cccc(CNC(=O)CSCc2ccc(Cl)cc2Cl)c1 222725649 GBPLIUUSDZVNOS-UHFFFAOYSA-N 384.328 4.942 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 223000360 RQVWSIAXHNMCMT-RTWAWAEBSA-N 397.515 4.888 0 40 GJAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)s1 223047370 GPXJDGLKJDYKCI-MRXNPFEDSA-N 387.530 4.990 0 40 GJAB CCCOCc1cc(C(=O)Nc2ccccc2Br)ccc1OC 224413092 IWLPWVLCTPDUHH-UHFFFAOYSA-N 378.266 4.637 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1 224585231 UQZDWXNAXISDCK-CQSZACIVSA-N 376.294 4.576 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(OC)cc2)ccc1Cl 225465931 MTENDNJTDXVYQN-LBPRGKRZSA-N 392.908 4.573 0 40 GJAB CC(C)(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 408626474 HMTATAKQMOFNGG-UHFFFAOYSA-N 395.484 4.544 0 40 GJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cccc(Br)c3)S2)cc1 408775711 RNGZUWDWUBVSCX-QMJOVRGKSA-N 389.318 4.611 0 40 GJAB O=C(c1ccc(-c2ccsc2)cc1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148954 MWOUTCJDYHQCOF-HXUWFJFHSA-N 375.493 4.980 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cnc(C3CC3)o1)CC2 628120349 IYQKJTWDIJQHKM-NRFANRHFSA-N 396.512 4.778 0 40 GJAB COc1ccc(C)cc1C(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 2037977974 BQJKWHOJOOOVGY-XMMPIXPASA-N 396.506 4.806 0 40 GJAB CC(C)Oc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1 662808 NTQWVPFMZIZWSS-LICLKQGHSA-N 386.245 4.581 0 40 GJAB CC(C)COC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 797318 HESPJAQBMMCLPQ-UHFFFAOYSA-N 392.238 4.607 0 40 GJAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)N1CCc2ccccc2C1 924397 DJPTWZIVFSDOKS-UHFFFAOYSA-N 376.525 4.837 0 40 GJAB O=C(COc1cccc(Br)c1)Nc1ccc(Cl)c(Cl)c1 1021402 SXVMKTFXDFSTGB-UHFFFAOYSA-N 375.049 4.773 0 40 GJAB CCc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 1093946 MIFLDXRXAUNWQO-SNDHGLFQSA-N 379.459 4.646 0 40 GJAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCC(C)CC1 1341144 YIIUFMANSIJESP-UHFFFAOYSA-N 394.519 4.521 0 40 GJAB COc1ccc(OC)c(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)c1 1342745 IGNMBEIXEWZQTJ-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB CCC(=O)N(Cc1ccccc1Cl)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1366407 FGPQIENMHMMXGS-UHFFFAOYSA-N 382.891 4.737 0 40 GJAB CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 2031446 BSZZVQSBHVBKMH-UHFFFAOYSA-N 392.238 4.751 0 40 GJAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3c(C)n(C)c4ccccc34)c12 2093013 WPPQSQYQTROYMP-UHFFFAOYSA-N 389.451 4.726 0 40 GJAB biogenic CCCSc1nc(NCCCOC)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2388035 NJTSWUXIXIMMJB-IBGZPJMESA-N 395.594 4.883 0 40 GJAB CC[C@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O)c1ccccc1 2430555 BIVUPNIUXPONHS-MOPGFXCFSA-N 385.467 4.522 0 40 GJAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1C 2951297 ICQFLHRJESCKRG-ATJXCDBQSA-N 375.453 4.991 0 40 GJAB CCOc1cc(C(=O)Nc2c(C)cccc2CC)cc(Br)c1OC 3327455 NJMNZVKYSGDWJJ-UHFFFAOYSA-N 392.293 4.980 0 40 GJAB CCn1c(SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)nc2ccccc21 3378981 USHJAQXSLHPKGR-KRWDZBQOSA-N 397.544 4.629 0 40 GJAB O=C(Cc1cccc2ccccc12)Nc1cc2c(cc1Br)OCCO2 3553942 WZOPMNIIZJAAEZ-UHFFFAOYSA-N 398.256 4.555 0 40 GJAB CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)c1ccccn1 4105450 OWOLCYRBYRIEHE-UHFFFAOYSA-N 387.694 4.973 0 40 GJAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)c1 4353849 DNABZXLHEREMMX-UHFFFAOYSA-N 396.443 4.687 0 40 GJAB Cc1ccc(-n2ncc3c(=O)n(Cc4ccc(Cl)c(Cl)c4)cnc32)c(C)c1 4479319 RBUVPXNLUGZTDE-UHFFFAOYSA-N 399.281 4.554 0 40 GJAB c1ccc(Cn2nnc3c(N[C@H]4CCCc5ccccc54)nc(C4CC4)nc32)cc1 4966732 PMWMEYPRNITQDU-FQEVSTJZSA-N 396.498 4.637 0 40 GJAB O=C(COc1cccc2cccnc12)Nc1ccc(Cl)c(C(F)(F)F)c1 6127954 CVYRZHSPDWYTRX-UHFFFAOYSA-N 380.753 4.925 0 40 GJAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccccc1Cl 6821499 HYBRNGGDVNTEOD-CQSZACIVSA-N 396.965 4.763 0 40 GJAB CCCCn1nnnc1NCc1c(OCc2ccccc2)ccc2ccccc12 7262108 OMVUZASXWPMLKG-UHFFFAOYSA-N 387.487 4.818 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2[C@H](C)c2nnc(-c3cccs3)o2)c1 7718755 JTPRPTRNEKVBLP-CZUORRHYSA-N 385.489 4.713 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)NCc3ccccc3F)cccc2c1=O 7753771 DPWDUQVAIKUWLC-UHFFFAOYSA-N 387.410 4.838 0 40 GJAB CC(=O)c1sc(NC(=O)c2ccc(OC(F)F)cc2)nc1-c1ccccc1 7799874 IEKVEVZPXNEYJA-UHFFFAOYSA-N 388.395 4.866 0 40 GJAB O=C(c1ccc(-n2cccn2)cc1)N1CCc2sccc2[C@@H]1c1cccs1 7948266 BCPBAIMMLWPDAP-HXUWFJFHSA-N 391.521 4.783 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8041522 BAEFIVDYNWIQEX-AUUYWEPGSA-N 388.895 4.664 0 40 GJAB Cc1nc2cc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)ccc2o1 8264464 IWCZGAPGLULVSY-UHFFFAOYSA-N 377.400 4.572 0 40 GJAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(C2CCCCC2)C1 8475442 USZSYUFGODJCIX-HNNXBMFYSA-N 376.456 4.706 0 40 GJAB O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1 9940454 LVEITSJPGFGNRE-UHFFFAOYSA-N 391.858 4.907 0 40 GJAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)c(Cl)c1 10404245 AUFGYEWHHAOAEC-UHFFFAOYSA-N 381.259 4.819 0 40 GJAB O=C(Nc1ccc(F)c(F)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1 10492249 UPRJWQKQPJHERO-UHFFFAOYSA-N 394.421 4.609 0 40 GJAB COc1ccc(-c2nsc(NC(=O)c3ccc(OCC(C)C)cc3)n2)cc1 12111398 JGCFJVJECBHGHA-UHFFFAOYSA-N 383.473 4.501 0 40 GJAB Cn1ncc(Cl)c1[C@H]1CCCCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12119562 JXXIADMAMFVWDB-DIKOGFFKSA-N 375.944 4.734 0 40 GJAB O=C(c1cc2ccccc2[nH]1)N1CCc2[nH]c3c(Br)cccc3c2C1 12296878 RVADZTOWYIZDJW-UHFFFAOYSA-N 394.272 4.610 0 40 GJAB biogenic COc1ccc([C@@H]2CCCN2Cn2ncn(-c3ccccc3C)c2=S)cc1 12597729 DDRFRJFSFCJEMP-FQEVSTJZSA-N 380.517 4.515 0 40 GJAB O=C(CSc1ccc(-c2ccc3ccccc3c2)nn1)N1CCc2ccccc21 12845740 WGPSHHAHMVTFQR-UHFFFAOYSA-N 397.503 4.978 0 40 GJAB CC(C)OC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 14416198 IOUVLSUGADJTKM-UHFFFAOYSA-N 396.418 4.617 0 40 GJAB COc1ccc(-c2cc(C(=O)NCc3ccccc3OC)c3ccccc3n2)cc1 15316584 QVECKCXICGZNAD-UHFFFAOYSA-N 398.462 4.849 0 40 GJAB Clc1ccc(-c2nnc(CSc3nnc(Cc4ccccc4)o3)o2)cc1 18201328 FZTZAHSXWODYNF-UHFFFAOYSA-N 384.848 4.656 0 40 GJAB O=C1[C@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Br)cc1 18243775 CEDCQJIFBBYFNV-JCGIZDLHSA-N 384.273 4.522 0 40 GJAB Cc1ccc(NC(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)c(-c2cc(C)n[nH]2)c1 19716142 UVRVWXKQYKUBKA-OAHLLOKOSA-N 391.519 4.820 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1Cl 20111148 YJRHZCNDFITVMZ-UHFFFAOYSA-N 384.284 4.901 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(Cl)c1 20489129 RXZMHYUADHKDJW-UHFFFAOYSA-N 386.879 4.759 0 40 GJAB O=C(N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1)c1ccccc1 20509694 OEODLKJIVNYVCD-LJQANCHMSA-N 389.842 4.909 0 40 GJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccnn1Cc1ccccc1Cl 23272842 JOWPVKBQXHHMOD-CYBMUJFWSA-N 390.270 4.644 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCc1ccc(OC(C)C)cc1 25888069 MEHBFVPTIGIEDM-UHFFFAOYSA-N 397.906 4.594 0 40 GJAB CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2)n1 27775871 XZPNAUGBJMMWGP-CQSZACIVSA-N 392.484 4.575 0 40 GJAB Cc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1 28527088 PLFFBEVJGUEGSI-UHFFFAOYSA-N 375.476 4.552 0 40 GJAB CCN(CC)Cc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1 32833494 UWDLWEOHYIAMJN-UHFFFAOYSA-N 380.410 4.722 0 40 GJAB COc1ccc([C@@H](C)NC(=O)N(Cc2ccco2)Cc2cccs2)cc1F 32863148 DRWWYRHSOJCSFH-CQSZACIVSA-N 388.464 4.962 0 40 GJAB Cc1cc(C)cc(NC(=O)CSCc2cc(=O)c3cccc(Cl)c3[nH]2)c1 33063796 OQCXVLUGVZTQEY-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB O=C(NCc1ccc(F)cc1Cl)c1sc2ncccc2c1-n1cccc1 33297998 PBXURUROQSDIKR-UHFFFAOYSA-N 385.851 4.810 0 40 GJAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)c(C)o1 36691533 UAJJNLXBDWFJFQ-UHFFFAOYSA-N 381.432 4.887 0 40 GJAB O=C(CSc1nncc2ccccc12)Nc1ccc(N2CCCCCC2)cc1 44157333 ZMQJDTPFMMYOBG-UHFFFAOYSA-N 392.528 4.741 0 40 GJAB COc1ccc2[nH]cc(C3=CCN([C@H](C)C(=O)Nc4ccccc4C)CC3)c2c1 47257431 SUQRCZUDYFZDRZ-QGZVFWFLSA-N 389.499 4.601 0 40 GJAB Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@H](C)Oc1ccc(F)cc1 48340711 REYUXYHHGOSWFV-SFHVURJKSA-N 378.447 4.525 0 40 GJAB COc1ccc(-c2nc(N)cc(Nc3ccc(Cl)c(Cl)c3)n2)cc1OC 49468171 DCMUXQBBCMHXLY-UHFFFAOYSA-N 391.258 4.793 0 40 GJAB O=C(CNc1ccccc1N1CCCCCC1)N1CCC[C@H]1c1cccs1 57722643 OBKSUYTZVDVDLB-FQEVSTJZSA-N 383.561 4.904 0 40 GJAB C[C@@H](SCc1ccccc1Br)C(=O)Nc1ccc(F)c(F)c1 58045967 JZIILIYEGNISKD-SNVBAGLBSA-N 386.261 4.988 0 40 GJAB CC[C@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)c1nnc2n1CCCCC2 78947469 SQHNRCIJNLVQCL-FQEVSTJZSA-N 389.503 4.944 0 40 GJAB COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)c3c(F)cccc3F)cc12 84026924 ACFFOUAZVOOCJM-UHFFFAOYSA-N 385.366 4.569 0 40 GJAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn34)n2)cn1 96038058 XBICVQXJXYGSBV-UHFFFAOYSA-N 393.450 4.748 0 40 GJAB Cc1cccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)c1 100424583 MNOXHWFDLVMUCP-VXKWHMMOSA-N 379.573 4.867 0 40 GJAB C[C@H](C(=O)Nc1ccc(Cl)cc1)[S@@](=O)Cc1ccc(C(F)(F)F)cc1 108467133 ICBDWIUAARFIPJ-SSINHNECSA-N 389.826 4.635 0 40 GJAB O=C1[C@H](CC[C@H](O)c2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 139058864 AZKGJGUGALISLD-XPWALMASSA-N 391.442 4.749 0 40 GJAB in-vitro Cc1cc2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2nc1C 215735134 AFIADFDKAJKWJN-UHFFFAOYSA-N 381.379 4.646 0 40 GJAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223481288 JQVPDXPVUOPDFH-NFBKMPQASA-N 394.559 4.650 0 40 GJAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 224553888 WEGVKIISJXYSKH-ZDUSSCGKSA-N 381.925 4.686 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108108 RWBGDMDCTCJRPS-INIZCTEOSA-N 390.892 4.532 0 40 GJAB CCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)COC)c(Cl)c2)CCC[C@@H](C)C1 225718795 ZYBWDZHVSVXTSK-SIFCLUCFSA-N 383.916 4.678 0 40 GJAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(F)ccc2O)C1 257199932 ABIBYSJLQJKQSM-VWPQPMDRSA-N 389.442 4.794 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cc(C)ccc2C)n1 408699974 XXOBNRHVNPISND-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB CCC(=O)Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O 409189588 QXORJNZAKSZTQB-DHDCSXOGSA-N 390.222 4.653 0 40 GJAB COc1ccc(Nc2nc(C(=O)N3CCc4sccc4[C@@H]3C)cs2)cc1 607043924 KQIMYAJJQOKJOU-LBPRGKRZSA-N 385.514 4.716 0 40 GJAB O=C1CCCCc2ccc(NC(=O)N3CCC[C@]4(C3)OCc3ccccc34)cc21 643268787 GXAYRESMQNFXFV-XMMPIXPASA-N 390.483 4.649 0 40 GJAB CC(C)(CNC(=O)NCCc1coc(-c2ccccc2)n1)c1cccc(Cl)c1 1115956154 JNYIKPPHMOAIDN-UHFFFAOYSA-N 397.906 4.815 0 40 GJAB Cc1cccc(C(=O)NCCc2nc3ccccc3n2Cc2ccccc2F)c1 2721440 BGWDUJBYFXNTKY-UHFFFAOYSA-N 387.458 4.505 0 40 GJAB CC(C)N(C(=O)COC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 3253788 JYYUFPLPMPUYBC-UHFFFAOYSA-N 380.271 4.521 0 40 GJAB Cc1nc(SCC(=O)Nc2ccc(C)c(C)c2)c2c3c(sc2n1)CCC3 3267242 BQVRRIWJAODKEF-UHFFFAOYSA-N 383.542 4.836 0 40 GJAB COc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1C 3284120 DBRNNKRDBOOTNJ-UHFFFAOYSA-N 389.495 4.964 0 40 GJAB C[C@@]1(c2ccc(F)cc2)C=C(c2ccc(F)cc2)n2nc(C(F)(F)F)nc2N1 3324790 ADDYUEIKROAPGU-SFHVURJKSA-N 392.331 4.805 0 40 GJAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1 4077185 UNIXUPFWHBOTLU-UHFFFAOYSA-N 385.876 4.533 0 40 GJAB Cc1ccc(N2C[C@](O)(c3ccc(Cl)c(Cl)c3)[N+]3=C2CCCCC3)cc1 4086849 QWEAZQRAMNZTGJ-NRFANRHFSA-N 390.334 4.952 0 40 GJAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1c[nH]c2ccccc12 4138488 FDVMKBYZWXPKTK-UHFFFAOYSA-N 382.876 4.592 0 40 GJAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@@H]1CCCc2ccccc21 4602271 HHLWYPFREURVHQ-FZKQIMNGSA-N 397.475 4.550 0 40 GJAB C[C@H]1CCC[C@@H](NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)[C@@H]1C 4863720 VJYHHKMHISXAIU-FRQCXROJSA-N 391.939 4.636 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(C)cc1 5477847 WMQGOTMMMXUDQF-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB CCCCOc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc1 5525125 BMHLFGLJULFBDW-GMAHTHKFSA-N 378.516 4.622 0 40 GJAB O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)Nc1ccc(F)cc1Cl 5951085 MQHQEURIFVBIDT-INIZCTEOSA-N 388.855 4.585 0 40 GJAB O=S(=O)(Nc1ccccc1SC(F)F)c1ccccc1Br 7055914 DJSYFRWNWUGFSV-UHFFFAOYSA-N 394.262 4.565 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(CN3CCSc4ccccc43)cs2)cc1 7493247 VTGPJNXDAWKVCP-UHFFFAOYSA-N 395.553 4.745 0 40 GJAB O=C(COC(=O)c1cc(Cl)ccc1O)Nc1ccccc1-c1ccccc1 7505904 DMRVRLVWPXMENG-UHFFFAOYSA-N 381.815 4.508 0 40 GJAB C[C@H]1CCCC[C@H]1NC(=S)Nc1cccc(-c2nnc3n2CCCCC3)c1 7582559 PATFLAHMOJVBAF-MAUKXSAKSA-N 383.565 4.537 0 40 GJAB Cc1ccc(-c2ccsc2C(=O)NCCCn2cnc3ccccc32)cc1 8777409 OABVWNMDSOACJG-UHFFFAOYSA-N 375.497 4.893 0 40 GJAB Cc1nc(COc2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)cs1 8980974 BXKVIROKEHPDBD-UHFFFAOYSA-N 382.529 4.729 0 40 GJAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1 9019571 APISFVNBOWCBGD-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB COc1ccc2c(CC(=O)NCC(c3ccccc3)c3ccccc3)coc2c1 9882864 HFBGSHHNDDKDJU-UHFFFAOYSA-N 385.463 4.932 0 40 GJAB COc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4ccc(Cl)cc4)c3C2)c(OC)c1 10338878 ZUVZGCDGMFPTRQ-AWEZNQCLSA-N 396.874 4.764 0 40 GJAB COc1ccc(-c2ncc(CNC3(c4ccccc4F)CCCC3)cn2)cc1 12292879 HXRBQCITAZLHOI-UHFFFAOYSA-N 377.463 4.850 0 40 GJAB CSc1ccc(C(=O)CCC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 12783247 NDKZHWFTSZLRAD-QGZVFWFLSA-N 389.517 4.864 0 40 GJAB Cc1nc(-c2ccccc2)c(C(=O)NCc2coc(-c3cccs3)n2)s1 12853145 DDRKEOJYSBDOLY-UHFFFAOYSA-N 381.482 4.765 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 13632718 QRPGIIMYUFAAES-OAHLLOKOSA-N 389.879 4.848 0 40 GJAB COc1ccc(CCNCc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1 13685981 JPRQCALQYJWTIZ-UHFFFAOYSA-N 385.847 4.639 0 40 GJAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1 14427055 UQLAWOUFLQSXNC-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)o2)cc1Cl 17080476 ZTLRSPTUZKFNTQ-RMKNXTFCSA-N 393.830 4.730 0 40 GJAB CC(C)CNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 17113280 QAWQPQQXMAOOKW-UHFFFAOYSA-N 376.439 4.766 0 40 GJAB Cc1noc2nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)cc(C(F)F)c12 19564321 KIYMCDCOIWLGHE-AWEZNQCLSA-N 375.394 4.988 0 40 GJAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 19691684 TYMFWAXKXVGUEW-QFIPXVFZSA-N 398.934 4.519 0 40 GJAB CSc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 20039846 MXXUAESSJQLWPY-OAQYLSRUSA-N 383.538 4.785 0 40 GJAB COCCN(C(=O)c1cc2c(F)cccc2s1)c1nc2ccccc2s1 23042398 CPWNZGIMGMFSBR-UHFFFAOYSA-N 386.473 4.943 0 40 GJAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 25532862 DPFRYVHORAAYNJ-UHFFFAOYSA-N 398.437 4.737 0 40 GJAB Cc1c(C(=O)Nc2onc3c2C[C@H](C)CC3)oc2ccc(Br)cc12 27794723 HXLYOODWXMMJAF-SECBINFHSA-N 389.249 4.869 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)c1cccs1 32717048 UMUVWTWHZDNYBC-UHFFFAOYSA-N 389.398 4.928 0 40 GJAB CCc1c(C(=O)Nc2ccc(F)c(F)c2F)cnn1-c1cccc(Cl)c1 32796741 ZJGKMUBKXWOBAS-UHFFFAOYSA-N 379.769 4.758 0 40 GJAB O=C(NCc1coc(-c2cccs2)n1)N1CCC(Cc2ccccc2)CC1 32870466 KJZAKKMTVOFEHI-UHFFFAOYSA-N 381.501 4.567 0 40 GJAB Cc1ccc([C@H](C)N(C)C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)s1 47810799 URJJBNCNHPYTJK-INMHGKMJSA-N 387.549 4.895 0 40 GJAB O=C(Nc1ccc(Br)cc1F)c1cc(-c2cccc(Cl)c2)[nH]n1 57412627 UKFAYPDIVBKTOM-UHFFFAOYSA-N 394.631 4.884 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3c3cccn3C)cn2)cc1 57726230 ZRSADBCAGDLHCQ-FQEVSTJZSA-N 376.460 4.890 0 40 GJAB CCc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)c1 64471693 SVKOWABQXNODDI-UHFFFAOYSA-N 395.503 4.869 0 40 GJAB COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC)c(OC)c1)CC2 69374289 BUTOOPPHPSRCOQ-QINSGFPZSA-N 375.424 4.525 0 40 GJAB COCCn1ccc2c(NC(=O)Cc3csc(-c4ccccc4)n3)cccc21 71285516 SYECOLJFBMZPEF-UHFFFAOYSA-N 391.496 4.592 0 40 GJAB O=C(Cc1ccccn1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357945 LTAODGDDONBTRL-QFIPXVFZSA-N 391.902 4.627 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 96234475 SUDFXQXHSLGQCF-IBGZPJMESA-N 375.468 4.771 0 40 GJAB CCCCCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c(O)c2ccccc21 100504410 KFGABOGITRTODV-UHFFFAOYSA-N 382.435 4.679 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cccc2ccccc12 223551633 ZTZQLIVSCBFMLD-HXUWFJFHSA-N 383.875 4.846 0 40 GJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(CN2CCCC2)c1 224618850 KBQIMYOWELTNPM-LJQANCHMSA-N 388.511 4.519 0 40 GJAB O=C(NCc1cccnc1-c1ccncc1)C(c1ccccc1)c1ccccc1 225749229 ZXLVUOSRFQZIOQ-UHFFFAOYSA-N 379.463 4.592 0 40 GJAB CCn1c(SCc2ccc(C(=O)O)o2)nnc1-c1ccc(Cl)cc1Cl 408558824 WHROYMHEJAXHLQ-UHFFFAOYSA-N 398.271 4.855 0 40 GJAB CCCOc1ccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)cc1 408626874 JBZLJYZYAZZWSU-UHFFFAOYSA-N 399.541 4.829 0 40 GJAB C[C@@H](NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12)c1ccccc1 408680486 ZIPOLWCXXQTMRQ-MRXNPFEDSA-N 386.426 4.806 0 40 GJAB O=C1N/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1c1cccc(Cl)c1 409088242 KNNKPMUODAMUFG-GZTJUZNOSA-N 382.778 4.836 0 40 GJAB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cccc4ccccc34)cc2)o1 409179988 SMGLYEVZWGZNNQ-UHFFFAOYSA-N 399.402 4.708 0 40 GJAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccccc2F)n1 409384846 FKDXRDWIIXVQCB-UHFFFAOYSA-N 387.867 4.975 0 40 GJAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 409387093 ZLALIYJCNDRLTA-UHFFFAOYSA-N 399.903 4.845 0 40 GJAB O=C(c1ccccc1SC(F)F)N1CCC[C@H](Oc2ccncc2Cl)C1 575612258 KKOWNSDDBVFFJH-LBPRGKRZSA-N 398.862 4.733 0 40 GJAB Cc1nc(C)c(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)s1 1615123079 BZXOKVATGGANTB-NRFANRHFSA-N 387.524 4.563 0 40 GJAB CCOC(=O)C1=C(N[C@H](C)c2ccccc2)CC[C@H](C(=O)OC(C)(C)C)CC1 1857793345 WRNYVZALLUVTHF-SJLPKXTDSA-N 387.520 4.686 0 40 GJAB O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@@H]1c1cccc(Cl)c1 845493 PVYYEFAQMDQUJL-LJQANCHMSA-N 389.929 4.930 0 40 GJAB O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2OC[C@@H]1c1ccccc1 1392377 CHRUFZISMPINDK-LJQANCHMSA-N 385.872 4.669 0 40 GJAB CCCC[C@H](C(=O)O)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1791749 JGSCNFBKLFYANO-RXMQYKEDSA-N 399.057 4.540 0 40 GJAB Fc1ccccc1[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@@H]2c1ccccc1 2253372 NKCJQCUJJLVPOV-DHIUTWEWSA-N 396.425 4.630 0 40 GJAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1c1nccs1 2424283 GOLCANJEDSPJRR-MRXNPFEDSA-N 394.839 4.653 0 40 GJAB CCCCCOC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2448694 SODNGNRSGSYNEV-UHFFFAOYSA-N 388.471 4.811 0 40 GJAB CCc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1 2741853 NEZIZPMWPNPNBF-UHFFFAOYSA-N 388.467 4.827 0 40 GJAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)N1CCc2ccccc21 3232071 DDBNMZLHSVMOCZ-UHFFFAOYSA-N 386.476 4.931 0 40 GJAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc(Cl)s1 3390438 WSYWTUAFIAZNJD-UHFFFAOYSA-N 375.906 4.835 0 40 GJAB Cc1ccc(-n2c(S[C@H]3CCCCC3=O)nc3cc(Cl)ccc3c2=O)cc1 3406647 IADNDEKPJNOYQE-IBGZPJMESA-N 398.915 4.951 0 40 GJAB COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccc(OC)cc3)C2)cc1 4174207 PPSOGJVBAUGEGW-HXUWFJFHSA-N 392.480 4.757 0 40 GJAB COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1OC 4479341 XONVAFWHMFBOMV-UHFFFAOYSA-N 380.878 4.795 0 40 GJAB Cc1ccc(Cn2c(SCc3c(C)noc3C)nc3ccccc3c2=O)cc1 4563910 ICVRWLPGAPZWGH-UHFFFAOYSA-N 391.496 4.650 0 40 GJAB COc1ccc(-c2cn3cc(-c4ccc(Br)cc4)nc3n2C)cc1 4678598 NEOOBDYDICEZQU-UHFFFAOYSA-N 382.261 4.778 0 40 GJAB CCCCc1cc(=O)oc2c(C)c(O[C@H](C(=O)OC)c3ccccc3)ccc12 4747465 ALMOGMUMKFLFLN-QFIPXVFZSA-N 380.440 4.737 0 40 GJAB Cn1c(Cc2ccccc2)nnc1SCc1ccc(Br)cc1F 4800322 HJTFIXQNOKRHTL-UHFFFAOYSA-N 392.297 4.600 0 40 GJAB COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)o2)cc1OC 4943096 ANUPXOSBOKVISC-UHFFFAOYSA-N 376.865 4.623 0 40 GJAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccc(F)c(F)c1 5147302 YTSMSRLSGXFXHT-UHFFFAOYSA-N 387.386 4.661 0 40 GJAB O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1ncc(Cl)cc1Cl 5361820 MJJGEEIFPQXAJW-UHFFFAOYSA-N 399.299 4.514 0 40 GJAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 6140460 SREZLLZNSHLWBC-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cccc(Br)c1 6315863 MPBIVOVUBIGFIZ-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB CNC(=S)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 6561557 CJTMMMRYIMOOND-CQSZACIVSA-N 378.328 4.701 0 40 GJAB COc1ccc2nc(NC(=O)c3nc(SC(C)C)ncc3Cl)sc2c1 6748112 PEMREZUQIRTVJJ-UHFFFAOYSA-N 394.909 4.501 0 40 GJAB Cc1ccc(CNC(=O)c2nc(SCc3ccccc3C)ncc2Cl)cc1 6748160 BZFDJAPNXVQEHC-UHFFFAOYSA-N 397.931 4.969 0 40 GJAB CCOc1ccc(NCc2cccc(OCC(=O)Nc3ccccc3)c2)cc1 6934882 AOZYCLWXKZLMIS-UHFFFAOYSA-N 376.456 4.715 0 40 GJAB CCCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1ccc(Cl)cc1 6947896 BJIHQKYXBKGHAQ-UHFFFAOYSA-N 394.972 4.746 0 40 GJAB COc1ccc(CCNCc2ccc(OCc3cccs3)c(OC)c2)cc1 7523898 RERZNPUQTXZKKB-UHFFFAOYSA-N 383.513 4.677 0 40 GJAB CCCC[C@@H](C)C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O 7660706 NHGHITVUZOKEHC-HIFRSBDPSA-N 385.895 4.808 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1c1ccc(F)cc1 8156674 YKNLUDYBRPNKJE-QFIPXVFZSA-N 384.414 4.783 0 40 GJAB Cc1ccc(-c2nn(CC(=O)c3ccc(Br)cc3)c(=S)o2)cc1 8550643 YUGGOZIBIZYAJL-UHFFFAOYSA-N 389.274 4.826 0 40 GJAB C[C@@H](NC(=O)Cc1csc(SCc2ccc(F)cc2)n1)c1ccccc1 8853974 AFEHVHVSQFWCFB-CQSZACIVSA-N 386.517 4.994 0 40 GJAB O=C1c2ccccc2N[C@@H](c2c(Cl)nc3ccccn23)N1c1ccc(F)cc1 9516372 SLMUWTGMLBBJAK-HXUWFJFHSA-N 392.821 4.898 0 40 GJAB CCc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(C)c2)n1 9625528 ZIMYBUWDLJHNMR-UHFFFAOYSA-N 394.500 4.839 0 40 GJAB Cc1ccc(-n2c(SCCc3ccccn3)nc3ccccc3c2=O)cc1F 10421636 VRQMVRWWEMDBMV-UHFFFAOYSA-N 391.471 4.563 0 40 GJAB Cc1ccccc1Nc1nc(N)nc(CN[C@@H](C)c2cccc3ccccc23)n1 12552769 FFHFFAMXLHKBFU-INIZCTEOSA-N 384.487 4.510 0 40 GJAB O=C(O)c1sc2cccc(F)c2c1CSc1nnc2[nH]c3ccccc3n12 12565393 LWHCIYBXSKDKAW-UHFFFAOYSA-N 398.444 4.555 0 40 GJAB Cc1ccc(CSc2nc(O)cc(=O)n2-c2ccc(Cl)c(Cl)c2)cc1 12636753 IMJONCIALHAOIA-UHFFFAOYSA-N 393.295 4.846 0 40 GJAB CC(C)c1nnc(NC(=O)c2csc(COc3ccc(Cl)cc3)n2)s1 12750042 SWWWEZSGQSRSAN-UHFFFAOYSA-N 394.909 4.603 0 40 GJAB Cc1cc(/C=C/C(=O)Nc2cc3c(cc2Cl)OCO3)c(C)n1Cc1ccco1 12762348 OUVMSPQSLGYEQN-AATRIKPKSA-N 398.846 4.780 0 40 GJAB COc1cc(NC(=O)c2ccc(-c3ccccc3)nc2C)c(OC)cc1Cl 12977008 RSZAEUSXBIDYLC-UHFFFAOYSA-N 382.847 4.980 0 40 GJAB C[C@H](NC(=O)c1ccc(F)cc1Br)c1ccc(OC(F)F)cc1 13012122 RRPGBAHWJCOFNW-VIFPVBQESA-N 388.183 4.681 0 40 GJAB CN(C(=O)COc1ccc(C(C)(C)C)cc1Br)C1CCCCC1 14649596 FSZVMLJZTSMXIF-UHFFFAOYSA-N 382.342 4.917 0 40 GJAB Cc1ccc(C)c(OC[C@H](O)CN2CCC(c3nc4ccccc4s3)CC2)c1 15346588 XQEXGWPZQTUYJU-LJQANCHMSA-N 396.556 4.532 0 40 GJAB COc1ccc([C@H](CC(=O)c2ccc3c(c2)OCO3)Nc2ccccc2)cc1 16216406 OSJNMQORUHUULC-FQEVSTJZSA-N 375.424 4.850 0 40 GJAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccco1 20611393 QNCKISDCNIVXFL-VOTSOKGWSA-N 395.802 4.797 0 40 GJAB O=C(C1=C(c2ccccc2)SCCO1)N1CCC(Cc2ccccc2)CC1 20744510 VVIFGENIPNYTEU-UHFFFAOYSA-N 379.525 4.600 0 40 GJAB Cc1ccc2[nH]c(C(=O)N3CCC(C)CC3)c(NC(=O)c3ccc(F)cc3)c2c1 21362099 SKQBNNLLAJNQRE-UHFFFAOYSA-N 393.462 4.740 0 40 GJAB CC(C)c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c(C(C)C)c1 24149639 FYFXYDUBELOPBZ-UHFFFAOYSA-N 394.559 4.696 0 40 GJAB Cc1csc(=O)n1CC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1 24770065 ABIFMYTZXJCIIK-UHFFFAOYSA-N 392.402 4.543 0 40 GJAB COc1ccc2nc(C)c(C(=O)Nc3ccc(Br)cc3F)cc2c1 25765713 ZYNMKRVCGHTHKF-UHFFFAOYSA-N 389.224 4.706 0 40 GJAB CCN(C(=O)c1ccc(OCc2cscn2)cc1)c1nc2ccccc2s1 26908033 GFWMKSALHRUKRX-UHFFFAOYSA-N 395.509 4.999 0 40 GJAB Cc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCS2)cc1 28527483 FVXWEOGCQHHGKH-UHFFFAOYSA-N 390.455 4.779 0 40 GJAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C1 29516055 LAUJWEGEZMMNAH-IAGOWNOFSA-N 379.529 4.745 0 40 GJAB CC(C)C(=O)Nc1cccc(CNCc2cccc(OCc3ccccn3)c2)c1 30629503 AONSKITXNYDJCL-UHFFFAOYSA-N 389.499 4.545 0 40 GJAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccccc1N1CCCCCC1 30994805 ARULDNMXYGLWSN-LJQANCHMSA-N 391.515 4.597 0 40 GJAB CCOc1ccc(C(C)=O)cc1CN[C@H](c1ccc2c(c1)OCCO2)C(C)C 32836207 HMBRPWXSKXDYGU-QHCPKHFHSA-N 383.488 4.546 0 40 GJAB CC(C)c1noc(CCCC(=O)Nc2nc3c(ccc4ccccc43)s2)n1 32915765 MWZSLLKONLKSMJ-UHFFFAOYSA-N 380.473 4.917 0 40 GJAB O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1nc(C2CC2)cs1 33167668 ZYNNWZTWYLUUNA-UHFFFAOYSA-N 389.933 4.902 0 40 GJAB Cc1ccc(-c2csnn2)cc1NC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 35316593 RMWZYAAFUZOYFO-AWEZNQCLSA-N 396.516 4.905 0 40 GJAB CCOC(=O)c1c(C2CC2)csc1NC(=S)Nc1ccccc1OC 58067517 NAVFNSFWSRGFGL-UHFFFAOYSA-N 376.503 4.620 0 40 GJAB COc1ccc2c(c1)S[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(O)=N2 61720971 DNJKNJVMZHUYPB-HNNXBMFYSA-N 396.390 4.805 0 40 GJAB Cc1cc(C)cc(N(C)Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c1 65592571 VNGWBROOTRWEDX-UHFFFAOYSA-N 375.497 4.905 0 40 GJAB COc1ccc(-n2nnc(-c3nc(-c4ccc(C)cc4C)cs3)c2C)cc1 67341653 ZHASGTHZMQMPGL-UHFFFAOYSA-N 376.485 4.992 0 40 GJAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Oc3c(Cl)cccc3Cl)c12 84066684 UUBFKHFDOGCLGP-UHFFFAOYSA-N 376.243 4.680 0 40 GJAB O=C(Nc1ccc(CC[C@H](O)c2ccccc2)cc1)c1cnc(C2CC2)s1 95410018 PIZXZZKJYLBSGY-IBGZPJMESA-N 378.497 4.939 0 40 GJAB COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 95957255 VRBFCFUIINLEKY-UXHICEINSA-N 387.483 4.809 0 40 GJAB Cc1ccc(NC(=S)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c(C)c1 100426913 GAAAWNWBVOYBLN-QZTJIDSGSA-N 387.593 4.548 0 40 GJAB Cc1cc(Nc2cccc(C(=O)NCC(C)(C)c3cccc(F)c3)c2)nc(C)n1 141585797 UALJDULWAQYOKA-UHFFFAOYSA-N 392.478 4.684 0 40 GJAB C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)CCCC2 222936193 KIDHRNXJLGDIQP-LBPRGKRZSA-N 384.328 4.912 0 40 GJAB CCc1cccc(C)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 223437571 CDVMNECHBFSIKV-QNGOZBTKSA-N 388.467 4.868 0 40 GJAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(Br)cn1 223908486 KYIUITLSUKBURS-UHFFFAOYSA-N 388.290 4.591 0 40 GJAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(C)cc1 224691521 ZCTJGPPWSXAADF-UHFFFAOYSA-N 377.815 4.882 0 40 GJAB O=C(Cc1ccccc1Cl)N1CCC(Oc2cccc3cccnc23)CC1 238939542 VVURGXNRCQPVNJ-UHFFFAOYSA-N 380.875 4.501 0 40 GJAB O=C(N1CCCCC1)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257198065 RLZSXBMNKMIEFN-UHFFFAOYSA-N 399.481 4.984 0 40 GJAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257234637 GULZACFLVPYDQA-HXUWFJFHSA-N 394.446 4.781 0 40 GJAB O=C(NC(=S)NCc1ccco1)c1ccc(-c2ccc(Cl)cc2Cl)o1 408628688 VZAOOAPJKKNNRS-UHFFFAOYSA-N 395.267 4.651 0 40 GJAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)c(C)cc1OC 409051124 AHJLYGFGQTWDGU-UNOMPAQXSA-N 399.468 4.652 0 40 GJAB O=C(Nc1ccc(-c2ccccc2F)nn1)C1(c2ccc(F)cc2)CCCC1 1617051001 AJOIPSBQTNKXIR-UHFFFAOYSA-N 379.410 4.872 0 40 GJAB COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1Cl 681073 PDDAIVZTZKVBKZ-UHFFFAOYSA-N 389.691 4.782 0 40 GJAB O=C(COC(=O)c1ccc2c(c1)-c1ccccc1C2=O)c1ccc(Cl)cc1 1095047 SELUNZQLMNMDSE-UHFFFAOYSA-N 376.795 4.591 0 40 GJAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C3CCCCC3)cc2c1 1359550 BVOMARLWFQEVHA-UHFFFAOYSA-N 392.499 4.847 0 40 GJAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 1368503 YQHGXGFIXLVQKF-UHFFFAOYSA-N 393.468 4.771 0 40 GJAB CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc(F)cc4)nc(N)c23)CO1 2221001 BLDKMBWFSMRRQP-IBGZPJMESA-N 389.521 4.946 0 40 GJAB CC(C)c1ccc(Nc2nc(NN)nc(Nc3ccc(C(C)C)cc3)n2)cc1 2345964 XKWOHDQCWJZENL-UHFFFAOYSA-N 377.496 4.891 0 40 GJAB Cc1cccc(NC(=O)OCCNC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1C 3087644 URQMKSZMXYUHCW-CJNGLKHVSA-N 399.318 4.559 0 40 GJAB Cc1ccc(CNC(=O)CSc2cc(C)c(Br)cc2C)cc1 3569940 HKMVNTTYLFNXSS-UHFFFAOYSA-N 378.335 4.783 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc(SC)cc3)n2)cc1OC 4517605 MVBZNYKLLYBRJL-UHFFFAOYSA-N 386.498 4.802 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 4889898 FDZCUZPSTGNYEG-OAHLLOKOSA-N 385.826 4.549 0 40 GJAB Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5164675 LTACZDKDYJJZSE-GBXCKJPGSA-N 384.435 4.966 0 40 GJAB Cc1ccccc1COC(=O)[C@@H](NC(=O)Cc1cccc2ccccc12)C(C)C 5233300 AHAMUHDJHWAXDO-DEOSSOPVSA-N 389.495 4.575 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(I)c1 5714094 FLEIARHDNWIVPL-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB CCOc1ccc2c(c1)C(c1ccc(OC)cc1)=NNC(c1ccc(F)cc1)=N2 6601954 PLXBDBJDGAWEPI-UHFFFAOYSA-N 389.430 4.667 0 40 GJAB COc1ccccc1[C@H](CNC(=S)Nc1ccc(Cl)cc1Cl)N(C)C 6650782 MELBTYIIJRBKQW-INIZCTEOSA-N 398.359 4.591 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2OC)cc1OCC 6882227 VDRKHHAFVFFINN-CYBMUJFWSA-N 377.868 4.637 0 40 GJAB Cc1ccc(-c2csc3nc(CN4CCc5ccccc54)[nH]c(=O)c23)s1 7674316 NWNOLTBMHWKLRQ-UHFFFAOYSA-N 379.510 4.584 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)Oc3cccc(C)c3)n2)c1 7757642 UCXUDZPUNOYYFZ-AWEZNQCLSA-N 398.484 4.542 0 40 GJAB CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 7929480 HDNWKBPVBQYLTP-ZDUSSCGKSA-N 378.255 4.514 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 8132364 MCCLJCBHRCBKNJ-UHFFFAOYSA-N 386.455 4.940 0 40 GJAB COc1ccc2nc3c(cc2c1)c(NC(=O)c1ccc(C)cc1)nn3CC(C)C 9109676 BNTAHCNYBFNQEJ-UHFFFAOYSA-N 388.471 4.810 0 40 GJAB Cc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)no1 9203998 UXYJRMSYGVHNHR-UHFFFAOYSA-N 389.436 4.590 0 40 GJAB C[C@H](NC(=O)CSc1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1 10603275 NHDJLXDJSGUYTI-INIZCTEOSA-N 393.508 4.971 0 40 GJAB CCCCOc1ccc(-c2nonc2NC(=O)COc2ccc(C)c(C)c2)cc1 11914184 LIVQXUZAWLMZCN-UHFFFAOYSA-N 395.459 4.550 0 40 GJAB CCc1c(C)nc2cc(C3CCOCC3)nn2c1N[C@@H](C)c1ccccc1OC 12155448 BOTNMLVDBLHSMD-INIZCTEOSA-N 394.519 4.676 0 40 GJAB CCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O 12539326 UJVIGLZSXAAIHU-AWEZNQCLSA-N 388.298 4.727 0 40 GJAB CN(CC(=O)Nc1ccc(F)cc1Cl)Cc1ccccc1N1CCCCC1 12561874 ZIVFBDOOUVOQOR-UHFFFAOYSA-N 389.902 4.540 0 40 GJAB CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1 12927810 NMIOTGFBICSDDT-UHFFFAOYSA-N 377.469 4.510 0 40 GJAB Cc1ccc(C(=O)OC[C@@H]2CCCN(C(=O)c3ccc(C)c(C)c3)C2)cc1C 12973428 IUYKQDOGQMAUDW-HXUWFJFHSA-N 379.500 4.629 0 40 GJAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cccc(F)c1 12999417 REEXJIXQOHKPAL-UHFFFAOYSA-N 376.840 4.696 0 40 GJAB Cc1csc(-c2nc(NCCc3c(C)noc3C)ncc2-c2ccsc2)n1 13227954 AJFWGFVZQZLFRJ-UHFFFAOYSA-N 397.529 4.896 0 40 GJAB CCc1ccc(-c2csc(NC(=O)c3cccnc3N3CCCC3)n2)cc1 14129605 IKWDWLAAEPCOOD-UHFFFAOYSA-N 378.501 4.620 0 40 GJAB O=C(CN(Cc1ccco1)C(=O)c1ccc2ccccc2c1)Nc1ccccc1 16182698 GNDXCRMJHGEZDW-UHFFFAOYSA-N 384.435 4.714 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3cccnc3Oc3ccccc3)o2)cs1 16298483 YTEHBWXORIBDSX-UHFFFAOYSA-N 391.452 4.829 0 40 GJAB COc1cc2c(c(OC)c1)[C@@H](c1cccc(Oc3ccccc3)c1)CC(=O)N2 17076774 CXXKAPCZEPXXRY-LJQANCHMSA-N 375.424 4.970 0 40 GJAB O=C(COc1cccc2ccc(N3CCCC3)nc12)Nc1ccc(Cl)cc1 17170582 QVHRKRKXIYERQS-UHFFFAOYSA-N 381.863 4.506 0 40 GJAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ncoc1-c1cccs1 19341247 QRAAPQSHWLNLOE-UHFFFAOYSA-N 388.408 4.859 0 40 GJAB CCc1cc(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)n(C)n1 19522182 CYQNBBWUMZZNCJ-UHFFFAOYSA-N 395.315 4.589 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)CCCNC(=O)c3cccs3)cc2)cc1 19628830 DDPKSXARKJPGKD-UHFFFAOYSA-N 394.496 4.998 0 40 GJAB O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 19819286 GSHBLKVOHCIOII-UHFFFAOYSA-N 392.846 4.582 0 40 GJAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cccc(OCc2ccccc2)c1 20144958 IWZOBPWZKQHFOP-UHFFFAOYSA-N 381.815 4.870 0 40 GJAB CCOc1ccc([C@H]2CCCN2C(=O)c2cc(F)ccc2Br)cc1 21709784 RIMLEBNETGENRS-GOSISDBHSA-N 392.268 4.964 0 40 GJAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 23142452 OSMHEJRKCIDXCX-CQSZACIVSA-N 382.287 4.573 0 40 GJAB O=C(CCc1ccco1)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 26405841 TZUPPIJPVQVBIV-UHFFFAOYSA-N 388.511 4.791 0 40 GJAB Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Br)cn2)o1 28235709 ZXWHXWTWNLVZIU-UHFFFAOYSA-N 387.233 4.577 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1OCC 30753677 LCMDTARQXLIYJE-GOSISDBHSA-N 391.895 4.611 0 40 GJAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1Oc1ccccc1 32809533 XPVPJWYNHZSNDD-UHFFFAOYSA-N 386.451 4.967 0 40 GJAB COc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2)C1=O 33293985 ZYKBKQUXVVUIOB-GDNBJRDFSA-N 390.258 4.699 0 40 GJAB Cn1cc(CN(CCCn2ccnc2)Cc2ccc(F)cc2)c2ccccc21 36740147 OXQTWINOOZDCQD-UHFFFAOYSA-N 376.479 4.606 0 40 GJAB C[C@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)[C@H]2CCCC[C@H]12 40133849 ZMHKAXHAYPOCNU-DBVUQKKJSA-N 396.556 4.719 0 40 GJAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)[C@@H]1CCCC[C@H]1C(F)(F)F 56096833 ZRJLUTGDZISDBZ-HZPDHXFCSA-N 388.393 4.704 0 40 GJAB Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C1=O 59418696 LDOGPKJCIWJXHU-YCIYHOANSA-N 399.877 4.742 0 40 GJAB O=C(/C=C/c1cccs1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77197902 LHZIKJQAOZFONF-HBWSCVEGSA-N 399.516 4.825 0 40 GJAB CC(=O)c1c[nH]c(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)c1 83815631 IEHQFARNWADQAA-UHFFFAOYSA-N 377.425 4.872 0 40 GJAB CN(C(=O)CCCc1cc(Cl)sc1Cl)[C@@H](CCO)c1ccccc1 95453487 JDCVEHZPIVZQJH-HNNXBMFYSA-N 386.344 4.960 0 40 GJAB O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119067 BGBJGOMFSIAQHM-CQSZACIVSA-N 379.441 4.564 0 40 GJAB CC(=O)Nc1ccc(/C=C(/SCC(=O)O)c2nc3ccccc3s2)cc1 96834588 BNFJATGGJJMKOM-LICLKQGHSA-N 384.482 4.571 0 40 GJAB Cc1[nH]c2ccc(F)cc2c1-c1cn2c3c(nnc2n1)[C@H]1CC[C@@]3(C)C1(C)C 100483619 PTUDAWPHGFOBQT-JLCFBVMHSA-N 375.451 4.895 0 40 GJAB C[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2s1)[C@@H]1C[C@H]2CC[C@H]1C2 102148794 MMGFWAGIZWNIBO-UHXUPSOCSA-N 380.966 4.983 0 40 GJAB O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccn(-c2ccccc2Cl)n1 102737853 AEMCKNISOVWZPA-UHFFFAOYSA-N 383.732 4.936 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 136532430 BQJHODVLOIVQTK-HDICACEKSA-N 396.874 4.580 0 40 GJAB CC(C)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Br)c1 218871833 AITCDJMNVINFCW-UHFFFAOYSA-N 396.712 4.921 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1ccco1 223365569 XHBIYLJQMOELIU-NHCUHLMSSA-N 392.528 4.764 0 40 GJAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccccc3C(F)(F)F)ccc2O1 223660733 JPOOEJNABBNQNN-UHFFFAOYSA-N 385.407 4.610 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 224222117 VIGWHVLWZWVBAM-VKZJTJHYSA-N 390.508 4.705 0 40 GJAB CSc1cccc(NC(=O)c2ccc(C)cc2I)c1 225015133 KNBAZEUUJKEVIX-UHFFFAOYSA-N 383.254 4.574 0 40 GJAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CCCCC1 225303794 BXZUWTFCOJJFPB-UHFFFAOYSA-N 384.907 4.974 0 40 GJAB Cc1ccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1C 225803248 IOPANSXVUVIBPO-UHFFFAOYSA-N 389.377 4.944 0 40 GJAB CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)n2)s1 257216852 CWISQVNMVZHRQE-MRXNPFEDSA-N 399.564 4.525 0 40 GJAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1cccc(F)c1 257282006 ORWPGOYDIPOICY-UHFFFAOYSA-N 382.435 4.792 0 40 GJAB O=C(CSCc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 301236773 BHRWNJYLCWCULQ-UHFFFAOYSA-N 395.355 4.575 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)cc1C 408653900 FOKQCFFLOCMOPJ-QFIPXVFZSA-N 399.490 4.853 0 40 GJAB CC(C)(CC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1)Cc1ccc(Cl)cc1 585082398 MNIQDGNOIVBDKK-SFHVURJKSA-N 391.861 4.605 0 40 GJAB CCCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(Cc2ccc(F)cc2)n1 585265977 WOHAUHDPELWJFV-UHFFFAOYSA-N 395.430 4.974 0 40 GJAB O=C(NCc1ccc2occc2c1)N[C@@H]1CCCc2cn(C3CCCC3)nc21 664668989 JNKGLLRFVIVVLH-LJQANCHMSA-N 378.476 4.621 0 40 GJAB O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1cc2ccc(C(F)(F)F)cc2[nH]1 1628886344 VRIMYQPXAPKCJA-HNNXBMFYSA-N 396.796 4.694 0 40 GJAB CCCN1CCN(c2ccc(NCc3cccc(O)c3Cl)cc2Cl)CC1 1648924850 WEPYFWRFFZFVBJ-UHFFFAOYSA-N 394.346 4.843 0 40 GJAB Cc1cccc(-n2ncc3c(N4CCC(Cc5ccccc5)CC4)ncnc32)c1 948018 WAIHJRBUPCSQBU-UHFFFAOYSA-N 383.499 4.583 0 40 GJAB CC(=O)N(c1ccc2ccccc2c1)[C@@H]1SC(=O)N(c2cccc(C)c2)C1=O 998207 RGBRHXYXKLYWIF-OAQYLSRUSA-N 390.464 4.727 0 40 GJAB CCCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1 2175751 PQOQLJKCRGTHKQ-HNNXBMFYSA-N 386.879 4.511 0 40 GJAB Cc1ccc(-c2c(NC(=O)c3ccco3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2433098 LNDNWTFPOLSTIL-UHFFFAOYSA-N 399.450 4.670 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3241660 HQGYNEJTINIXMQ-VGOFMYFVSA-N 392.890 4.977 0 40 GJAB COc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(F)cc32)cc1OC 4129887 UVJFJXCYVUJQSL-UHFFFAOYSA-N 389.430 4.585 0 40 GJAB CN(C)CCCN(C(=O)c1cccs1)c1nc2c(Cl)cccc2s1 4359785 GSAWXFRRZNMGOX-UHFFFAOYSA-N 379.938 4.610 0 40 GJAB COc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccncc2)cc1 4509754 RLPVNGPGXFWRAY-UHFFFAOYSA-N 392.459 4.769 0 40 GJAB CCc1ccc(C(=O)Nc2cc(C)cn(Cc3ccc(Cl)cc3)c2=O)cc1 5000892 YPBGPZDESMRBMQ-UHFFFAOYSA-N 380.875 4.673 0 40 GJAB O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5099283 RPMWHQIDRLTDSG-UHFFFAOYSA-N 384.479 4.710 0 40 GJAB O=C1/C(=C/c2cccs2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 5303217 KGDYLZPSSMNYJS-AQTBWJFISA-N 378.478 4.803 0 40 GJAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)c1 5342901 DBMMNGHXHUFDQM-UHFFFAOYSA-N 375.350 4.670 0 40 GJAB O=C(O)c1cc2c(cc1C[C@@H](Cc1ccc3c(c1)CCCC3)C(=O)O)CCCC2 5537755 YZRMWLUFTMMXJC-JOCHJYFZSA-N 392.495 4.628 0 40 GJAB CCCn1c(SCC(=O)c2ccc3ccccc3c2)nc2ccccc2c1=O 6609689 SHJBXAAJTRCUDC-UHFFFAOYSA-N 388.492 4.935 0 40 GJAB COc1cc(CN(C)C(=O)/C=C/c2ccco2)ccc1OCc1ccccc1 6994993 FTUZLSSASODYNU-ACCUITESSA-N 377.440 4.539 0 40 GJAB CCOc1ccc(SCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 7989710 BSYKRSBYKJTDFR-HXUWFJFHSA-N 383.517 4.567 0 40 GJAB COc1ccccc1Nc1nnc(SCc2cn3cccc(C)c3n2)s1 8012249 MMRRYGQHACEEFM-UHFFFAOYSA-N 383.502 4.539 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(-n3ccnc3)cc2)N1c1ccc(F)cc1 8156672 YKNLUDYBRPNKJE-JOCHJYFZSA-N 384.414 4.783 0 40 GJAB Cc1cc(Br)c(NC(=O)COC(=O)c2cccc(Cl)c2)cc1C 8333826 QIIYCEYMLITSJB-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB C[C@@H]1CSC(N(C(=O)CSc2ccccc2)c2ccc(Cl)cc2)=N1 9166560 ZJHJUXNTGGPSJP-CYBMUJFWSA-N 376.934 4.957 0 40 GJAB O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)[C@H]1Cc2cc(Cl)ccc2O1 12148545 XPYKLGHEYWABPH-WOJBJXKFSA-N 399.277 4.598 0 40 GJAB COc1ccccc1[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccc(F)cc1 12371740 HFXKDHGBMFZTGD-AWEZNQCLSA-N 397.427 4.735 0 40 GJAB COc1ccccc1CN(C)C(=O)COc1cc(Cl)c(Cl)cc1Cl 12811468 ZABIQUPJQHXWFD-UHFFFAOYSA-N 388.678 4.693 0 40 GJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1 14095671 LBZXJFURHSRWSA-UHFFFAOYSA-N 399.494 4.603 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 14427150 WEWVRARIDHQDGP-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB COc1cccc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 15620248 MCOOXHGQBBLHEX-MDZDMXLPSA-N 378.497 4.724 0 40 GJAB Cc1nn(C)cc1/C=C1/C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]2(C)C1=O 17080258 WEMMMOPGBRUKBZ-FBCXJMCQSA-N 392.543 4.823 0 40 GJAB COc1ccccc1C(=O)N1CCC(c2nc(C)cc(-c3ccsc3)n2)CC1 19118611 JQNIMCHNOSBNSC-UHFFFAOYSA-N 393.512 4.542 0 40 GJAB O=C(Nc1ccccc1F)[C@H]1CC(O)=Nc2cc(-c3ccc(Cl)cc3)nn21 20715521 GYDDICQHGOTPJS-MRXNPFEDSA-N 384.798 4.514 0 40 GJAB CCc1ccccc1Nc1nnc(SCc2nc(CC(C)C)no2)s1 22526574 FHIPXPWSCNTQPP-UHFFFAOYSA-N 375.523 4.718 0 40 GJAB CCc1cc2c(Sc3nnc(-c4ccccc4OC)n3CC)ncnc2s1 24060336 BNILQQSGGVYAFX-UHFFFAOYSA-N 397.529 4.692 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 27838996 BKGXRKSVNNYPQC-CVEARBPZSA-N 396.409 4.721 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 30855376 YILWWFACGUFKCL-LJQANCHMSA-N 392.927 4.699 0 40 GJAB COc1ccc(NC(=O)Cc2ccccc2Cl)cc1OCc1cccnc1 32832214 AWPIPLABTMHIDS-UHFFFAOYSA-N 382.847 4.504 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2ccc(O)cc2)cc1OCC 33609139 LHVDYJAAALOLDS-UHFFFAOYSA-N 394.265 4.595 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1[nH]c2ccc(F)cc2c1Cl 44979126 XCSIMNWWEXAJGB-MRXNPFEDSA-N 389.858 4.510 0 40 GJAB Nc1c(Cl)cc(NC(=O)/C=C/c2c(Cl)nc3sccn23)cc1Cl 46438489 QJYHXFMNMHQWFO-OWOJBTEDSA-N 387.679 4.590 0 40 GJAB Cc1ccc(-c2noc(-c3cc4cc(Br)ccc4oc3=O)n2)cc1 57354727 PHCOEZTVPGZQTJ-UHFFFAOYSA-N 383.201 4.581 0 40 GJAB CC(C)c1noc(-c2ccc(NC(=O)NCCc3cccc(Cl)c3)cc2)n1 58309108 XZQBFXRODQYGCM-UHFFFAOYSA-N 384.867 4.878 0 40 GJAB COC(=O)Nc1ccc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)cc1 65585095 VZNVMIMGBAPAKO-HNNXBMFYSA-N 391.427 4.652 0 40 GJAB O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1Cl 67299253 OLYILPDQAQXGPK-FLFQWRMESA-N 394.814 4.547 0 40 GJAB O=C(O)[C@H]1CC(=O)N(c2ccc3nc(-c4ccc(-c5ccccc5)cc4)oc3c2)C1 70461305 RJMTVMSJDBMKFG-SFHVURJKSA-N 398.418 4.599 0 40 GJAB COc1cc(/C=C/C(=O)Nc2ccnn2C2CCCCC2)cc(Cl)c1OC 83921334 VPADEOOYKFLUJE-CMDGGOBGSA-N 389.883 4.711 0 40 GJAB c1coc(CN[C@@H]2CC3(CCN(Cc4ccco4)CC3)Oc3ccccc32)c1 96242823 AQGGQVJZOPFASF-OAQYLSRUSA-N 378.472 4.521 0 40 GJAB CCCC(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2cc(C)no2)CC1 100743783 JXOXDXIZKOPPHC-CALCHBBNSA-N 384.524 4.754 0 40 GJAB COc1ccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1Cl 170564438 LFLMYSBVYRTIDG-UHFFFAOYSA-N 382.851 4.751 0 40 GJAB CC[C@@H](NC(=O)C1CCN(Cc2ccccc2C)CC1)c1ccc(OC)c(C)c1 224550330 WPGFEKPYUXYFEW-HSZRJFAPSA-N 394.559 4.792 0 40 GJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225693614 DUXDJFNQKAACJH-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc(Br)c2)cc1N 226266336 GCTHWBYPEIHXJY-CYBMUJFWSA-N 388.309 4.662 0 40 GJAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 226285310 CQTMGOYIIABXEI-UHFFFAOYSA-N 378.394 4.978 0 40 GJAB COc1ccccc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 408624602 YDVMRQAUABAEIG-UHFFFAOYSA-N 386.407 4.946 0 40 GJAB CCc1ccc(N2C[C@@H](C(=O)NC3CCC(C(C)(C)CC)CC3)CC2=O)cc1 408706911 FAGQYHHZLLUOSA-HDYDNRTBSA-N 384.564 4.713 0 40 GJAB C[C@H]1CCCCN1Cc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 532192865 ZPCQJTOYZQYQFI-RBUKOAKNSA-N 391.559 4.797 0 40 GJAB Cc1cc(NC(=S)NC(=O)C(C)(C)C)cc(-c2nc3ccccc3s2)c1O 623832 XRDZAOWENCYXKD-UHFFFAOYSA-N 399.541 4.836 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 843791 KHTNDSSAHWDSJF-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1cccc(OC)c1 1353686 XIRFHVCCJMIDLA-UHFFFAOYSA-N 392.430 4.805 0 40 GJAB CCCC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c(C)nn1-c1ccc(C)cc1 2237696 QTLUXUCXDJJPJA-UHFFFAOYSA-N 395.890 4.908 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@H](O)c2ccc(Cl)cc2)cc1 2286294 DMCJEIBPWYWWES-FQEVSTJZSA-N 387.888 4.531 0 40 GJAB COc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2ccccc2)cc1 2625531 YYXJIKZJLVVWNL-LJQANCHMSA-N 379.485 4.547 0 40 GJAB Cc1sc2nc(-c3cccnc3)nc(NCc3ccc4c(c3)OCO4)c2c1C 3335490 GSKZXMHOVGCUDE-UHFFFAOYSA-N 390.468 4.711 0 40 GJAB COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cc1OC 3885004 WHJKJQHHFCBZKD-NTCAYCPXSA-N 375.424 4.827 0 40 GJAB COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@]21CCOC(C)(C)C1 4039409 FMIWDKMHNWWDFR-WMZHIEFXSA-N 378.472 4.524 0 40 GJAB biogenic CCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(C)cc1 4816672 CFBOJDMGDJBKLH-RBUKOAKNSA-N 380.879 4.717 0 40 GJAB CCCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccoc1C 4860442 FRIUORZCUQAFJA-UHFFFAOYSA-N 398.532 4.994 0 40 GJAB O=c1nc(SCc2cccc3ccccc23)c2c(n1Cc1ccccn1)CCC2 5264387 KDPQZKDPTJLAEW-UHFFFAOYSA-N 399.519 4.621 0 40 GJAB Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)nc1-c1ccc(C(C)C)cc1 5792518 MEWDQCJFDVNYIZ-OWSLCNJRSA-N 396.512 4.703 0 40 GJAB Cc1nnc(SCCOc2cccc(Br)c2)n1-c1ccccc1 6109132 SRPOAHIYYCUDIE-UHFFFAOYSA-N 390.306 4.509 0 40 GJAB CC(C)/N=C1\S/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)N1C(C)C 6324955 IIDXEMXHPCVJRG-CRUFNBOHSA-N 389.540 4.905 0 40 GJAB Cc1ccc2cc(CSc3nnc(C(F)(F)F)n3C)c(Cl)nc2c1C 6653716 GYRDZQQNCQQQHY-UHFFFAOYSA-N 386.830 4.945 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(CN3c4ccccc4CC[C@H]3C)cs2)cc1 7619027 VBALJZDQGHZHDW-QGZVFWFLSA-N 391.540 4.974 0 40 GJAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1 7763670 RBPVCSSBFXHBBK-GFCCVEGCSA-N 385.514 4.714 0 40 GJAB Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)c1 7928918 HDWBJFNDZINZAX-QFIPXVFZSA-N 399.490 4.853 0 40 GJAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1c[nH]c2ccccc12 8232299 XDFQNXPEJURZRK-UHFFFAOYSA-N 388.496 4.660 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2F)CC1 9063475 NXIVNEDYFYMRGI-UHFFFAOYSA-N 395.305 4.661 0 40 GJAB C[C@H](NC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc2c(c1)OCO2 10358870 OXSPUMQTJXLOMR-AWEZNQCLSA-N 384.457 4.543 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1 12799287 KWUAHFSTOGPXGD-LJQANCHMSA-N 375.490 4.572 0 40 GJAB Cc1sc2ncnc(NC[C@@H](c3c(F)cccc3Cl)N(C)C)c2c1C 13040026 HJWJDSTVTKWULY-AWEZNQCLSA-N 378.904 4.815 0 40 GJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccc2Cl)o1 15425563 SUGAXWJMOWLYPI-UHFFFAOYSA-N 394.902 4.994 0 40 GJAB CCc1ccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)sc2=S)cc1 16742368 QJTATBPKURQGDX-ZDUSSCGKSA-N 383.542 4.904 0 40 GJAB Oc1ccc(C2=CCN(C(=S)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 17457099 AYWXTAKYIQBQQX-UHFFFAOYSA-N 394.418 4.777 0 40 GJAB CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ncccn3)cc2)cc1 19450541 VGLNOLMKSSGTJQ-MRXNPFEDSA-N 377.444 4.547 0 40 GJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(C)c1OC 21580417 QYBBAFMRDSODQL-UHFFFAOYSA-N 387.439 4.808 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccccn2)no1 22462119 XYTDHEBBHMVNNJ-UHFFFAOYSA-N 390.830 4.633 0 40 GJAB CCC(=O)N1CCCc2ccc(NC(=O)NCc3cccc4ccccc34)cc21 22502933 OMHDPESJRJOXMN-UHFFFAOYSA-N 387.483 4.851 0 40 GJAB Nc1ccc(Br)cc1C(=O)N1CCC[C@@H]1Cc1ccccc1Cl 24978144 JEGGWFHNKPRKTO-CQSZACIVSA-N 393.712 4.532 0 40 GJAB in-vivo COc1cccc(NC(=O)c2sc3nc(-c4ccccc4)nc(C)c3c2N)c1 27789185 GWMRIKJKUPGUFI-UHFFFAOYSA-N 390.468 4.510 0 40 GJAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1nc(-c2ccco2)no1 29738786 ZBZVOMPNIPMCIW-GFCCVEGCSA-N 379.445 4.641 0 40 GJAB CCOc1ccc(-c2ccc(SCc3nc(-c4cccs4)no3)nn2)cc1 33022026 UAZMFFHYPDPNFH-UHFFFAOYSA-N 396.497 4.946 0 40 GJAB CC(=O)c1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 36398669 VEANVSWOOARBPK-NRFANRHFSA-N 396.537 4.598 0 40 GJAB CCC[C@@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1 36661652 VJZKYQACSOQKBV-QGZVFWFLSA-N 377.488 4.525 0 40 GJAB CN(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 38308503 HXESJOMKFDHHCM-KBPBESRZSA-N 397.363 4.719 0 40 GJAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 38836820 NOOONKDTSRAEDU-LZYBPNLTSA-N 392.263 4.913 0 40 GJAB CC(=O)Nc1cccc(NC(=O)CCCCc2ccc(Br)cc2)c1 40128270 DJIUSJDACFYEGG-UHFFFAOYSA-N 389.293 4.759 0 40 GJAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(-c4nccs4)c3)c12 40150689 IRQNWFOYPZHMAB-UHFFFAOYSA-N 391.500 4.776 0 40 GJAB Cc1cc(-c2nnco2)ccc1NC(=O)/C=C/c1ccccc1OC(F)(F)F 65538240 VCKXQUFZZSZOSK-VQHVLOKHSA-N 389.333 4.596 0 40 GJAB CCOc1cc(Cl)c(S(=O)(=O)N(CC)c2cccc(C)c2)cc1Cl 72414382 PORJSHQFIQAOQA-UHFFFAOYSA-N 388.316 4.916 0 40 GJAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(N(C)c2ccccc2)cc1 78582370 SBBBJMSHASPKCE-OAQYLSRUSA-N 379.548 4.839 0 40 GJAB FC(F)(F)C(F)(F)SCCCNCc1cccc(Br)c1 95918380 YRFLTKZQXIKRMO-UHFFFAOYSA-N 378.204 4.817 0 40 GJAB O=C(Nc1nc(-c2cccnc2)cs1)c1csc(Cc2ccc(F)cc2)n1 95966216 CENJKQBNTIDHSA-UHFFFAOYSA-N 396.472 4.644 0 40 GJAB Cc1n[nH]c(C)c1[C@@H](C)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 97164395 MVQCDWZYHLIAEB-CQSZACIVSA-N 398.470 4.626 0 40 GJAB COc1ccc(C[C@@H]2C(=O)N(c3ccccc3)c3ccccc32)c(OC)c1OC 101015017 ZPXOUOFQHIZTAT-IBGZPJMESA-N 389.451 4.717 0 40 GJAB COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)C1 106919182 QWBLPIMTMFGXBJ-HDMKZQKVSA-N 391.920 4.587 0 40 GJAB COc1ccc(OC)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1 210200835 NMLLWUQSPBVDLV-MHWRWJLKSA-N 375.833 4.598 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1 219606585 ADMJUJBHEPBHTM-GOSISDBHSA-N 375.852 4.621 0 40 GJAB CC(C)c1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 222602089 VPBHXVUCAGQVSY-HSZRJFAPSA-N 396.550 4.910 0 40 GJAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 223051704 ZMNANLANGOGMLJ-QHCPKHFHSA-N 394.559 4.604 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 223305479 KMHRFNICWVCUJJ-JOCHJYFZSA-N 394.559 4.568 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC)c1ccc(OC)cc1 225258862 FYHDTQQEGHXYCK-DHIUTWEWSA-N 381.516 4.999 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1C(C)C 225783085 MASIYNCBINZCRV-KRWDZBQOSA-N 375.534 4.783 0 40 GJAB Cc1nn(CCNC(=O)c2ccccc2C(F)(F)F)c(C)c1-c1ccccc1 238943474 WFGDRHNOQKVFFE-UHFFFAOYSA-N 387.405 4.616 0 40 GJAB Cc1nc(Nc2cccc(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)n2)sc1C 257234352 GTDMIEYTENGQBH-SFHVURJKSA-N 396.560 4.961 0 40 GJAB COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl 408527865 AFZAPQSUGBUGLO-YFHOEESVSA-N 382.199 4.859 0 40 GJAB CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 408606418 LYDRGGVWLYSQPH-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)NC2CCC(C(C)(C)C)CC2)CC1=O 408707128 HBEIFAJLIOOSGD-GTPINHCMSA-N 390.955 4.722 0 40 GJAB Cc1ccc(C(=O)C2CCN(Cc3ccc(C)cc3-c3cnn(C)c3)CC2)cc1 566608886 ZWVXHTMFESFKTE-UHFFFAOYSA-N 387.527 4.799 0 40 GJAB CC(C)(C)c1ccc([C@@H]2CC(=O)c3cnn(-c4nc5ccccc5[nH]4)c3C2)cc1 1459833 SYROSKLKXFPQNJ-INIZCTEOSA-N 384.483 4.959 0 40 GJAB Oc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)c1 2253124 NOQQLQQIAVYKCH-UHFFFAOYSA-N 382.467 4.922 0 40 GJAB O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 2516029 QETRGFJTEVVJTC-UHFFFAOYSA-N 392.326 4.940 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2Cl)c1C 3474728 FCQZGWRIWUAAIQ-UHFFFAOYSA-N 382.847 4.555 0 40 GJAB Cc1cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)ccc1Br 3562132 UGIHLPATWJGYOD-QGZVFWFLSA-N 390.277 4.568 0 40 GJAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccc(F)cc3)n12 4161035 SAGSOQFTNQSXPF-UHFFFAOYSA-N 394.475 4.678 0 40 GJAB Cc1nc(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c2ccccc2n1 4240026 OVUWHNXCQUVJST-SECBINFHSA-N 393.299 4.759 0 40 GJAB Cc1ccc(-c2ccc(SCC(=O)N3CCCc4ccccc43)nn2)cc1 4356066 XLLGHEQAHPGDDW-UHFFFAOYSA-N 375.497 4.524 0 40 GJAB CSc1nnc(-c2oc3nc(-c4ccccc4)nc(C)c3c2-n2cccc2)o1 4648831 ZIAVDRSKBODXNM-UHFFFAOYSA-N 389.440 4.761 0 40 GJAB Cc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)c(C)c1 4853258 HLUCGFYGSNCQGD-XSFVSMFZSA-N 376.481 4.775 0 40 GJAB Cc1ccccc1Cn1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1=O 5269176 CQWXMLHCZGWPFD-UHFFFAOYSA-N 387.266 4.764 0 40 GJAB CCOc1ccc(-c2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)o2)cc1 6510864 ZAQAICBAEMURQJ-UHFFFAOYSA-N 378.215 4.694 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 6879950 BAWGPKRCYVZAPE-UHFFFAOYSA-N 376.909 4.601 0 40 GJAB COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cccc(O)c3)C[C@H]21 7596950 UXOLMIYVGFZAIQ-DYESRHJHSA-N 378.453 4.705 0 40 GJAB C[C@H](NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12)c1ccco1 8157093 JKIZRYKTTMMHPW-ZDUSSCGKSA-N 395.509 4.921 0 40 GJAB COc1cc(C)c(NC(=O)c2cc(Cl)c(OC(C)C)c(OC)c2)cc1OC 8770181 JEAFPSSJKAVQHO-UHFFFAOYSA-N 393.867 4.714 0 40 GJAB Cc1c(C(=O)Nc2onc3c2C[C@@H](C)CC3)oc2cc(Br)ccc12 9183928 UCYBUCAWTHDJDE-VIFPVBQESA-N 389.249 4.869 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)N[C@H]1CCSc2c(F)cccc21 9253113 MRVMKRYSKQPVFB-HNNXBMFYSA-N 384.398 4.881 0 40 GJAB CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 9462630 SIVPUGHRCBHQJM-UHFFFAOYSA-N 382.891 4.932 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(NC2CC2)s1 9466181 FVANJAJZKCFNKN-UHFFFAOYSA-N 377.926 4.552 0 40 GJAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2cc3cc(F)ccc3s2)c1 11463056 QHDLNEHRNOLOOH-UHFFFAOYSA-N 396.365 4.585 0 40 GJAB CCOC(=O)c1cnc(SC)nc1NC(c1ccccc1)c1ccccc1 12016450 QENQJTSMCLWTGR-UHFFFAOYSA-N 379.485 4.577 0 40 GJAB Cc1cc(Br)ccc1NC(=O)/C=C/c1ccc2c(c1)OCCCO2 12786168 POUGOKCWLZBXKL-XBXARRHUSA-N 388.261 4.571 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 12942939 IUIOOJTVKIIWAW-LLVKDONJSA-N 383.300 4.546 0 40 GJAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2F)c1 13778261 NSRJWEIWAMQCKX-AGILITTLSA-N 399.506 4.711 0 40 GJAB Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@H](c1cc(F)cc(F)c1)C3 14163845 XHRIAQAHBVXKNV-MRXNPFEDSA-N 389.405 4.896 0 40 GJAB CCc1ccccc1NC(=O)CN(C)C(=O)c1sc2cccc(F)c2c1C 17904991 FJCWHQYPRWLCJJ-UHFFFAOYSA-N 384.476 4.622 0 40 GJAB Cc1ccc(OCc2nc(C(=O)Nc3cccc4cccnc34)cs2)cc1 18186175 SYPALAFVEDRGHS-UHFFFAOYSA-N 375.453 4.831 0 40 GJAB CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC)cc2O)cc1 18208707 LMVDVLWHGRISHP-UHFFFAOYSA-N 382.416 4.540 0 40 GJAB Cc1ccc([C@@]2(O)CC[C@@H]3CN(CC(c4ccccc4)c4ccccc4)C[C@@H]32)nc1 19215741 JBWTUVQNZDOIGK-NRRYGQPISA-N 398.550 4.752 0 40 GJAB COc1ccccc1C1(O)CCN(Cc2ccc(OC3CCCC3)cc2)CC1 19569258 OLKKZLYJMWHUDT-UHFFFAOYSA-N 381.516 4.500 0 40 GJAB COc1ccccc1NC(=O)c1cc([C@@H]2CCCN(CC3CCCCC3)C2)no1 19571273 VLASQPDQRHOOQQ-GOSISDBHSA-N 397.519 4.695 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)Nc2c(Cl)ccc3nsnc23)cc1 21595571 RCDSJNYAPPWEHA-UHFFFAOYSA-N 375.881 4.660 0 40 GJAB O=C(c1ccc(COc2ccccc2)o1)N(Cc1ccco1)Cc1ccco1 30471624 IVRAHYKPFPFCHZ-UHFFFAOYSA-N 377.396 4.887 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C 30855940 RECCDDUYWJRIBN-LJQANCHMSA-N 388.895 4.522 0 40 GJAB COc1cccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)c1OC(F)F 31109613 ZDIUNAGUPYHMBL-ZHACJKMWSA-N 385.410 4.626 0 40 GJAB O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)C12CC3CC(CC(C3)C1)C2 32594065 FWCKAPWCMVCPJI-UHFFFAOYSA-N 377.488 4.770 0 40 GJAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)cc1 32609550 LFHDNQDRBHBSBE-QFIPXVFZSA-N 381.431 4.847 0 40 GJAB Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4)n3)c2)c1 33327228 AZOYGBWONVDNMG-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 44848720 RVRZLOXYJNVLSX-NSHDSACASA-N 385.407 4.842 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1cccc(Cl)c1 44883741 HTDYSQJKSIKWRV-GOSISDBHSA-N 377.937 4.855 0 40 GJAB O=C(Nc1ccccc1C(=O)N[C@@H]1CCCc2ccccc21)c1cccs1 45872783 MFBXQNAHJHDJEJ-GOSISDBHSA-N 376.481 4.808 0 40 GJAB O=C(CCc1ccc(F)cc1)Nc1ccnn1Cc1cccc(Cl)c1Cl 48345834 KAMAOCGVTDHUEU-UHFFFAOYSA-N 392.261 4.949 0 40 GJAB COc1ccc(-c2nc(NCCc3cccc(C)c3)ncc2-c2ncc[nH]2)cc1 57761976 XIEDXFPPSXQZMU-UHFFFAOYSA-N 385.471 4.505 0 40 GJAB O=C(NCc1cccs1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58161623 IQOCHUMXMWEUFE-UHFFFAOYSA-N 375.469 4.728 0 40 GJAB Cc1csc(Sc2ccc(NS(=O)(=O)c3cccs3)c(C)c2)n1 58168365 UXVAIECPZOKSDU-UHFFFAOYSA-N 382.557 4.773 0 40 GJAB Cc1nc2cc(C(=O)N3CCC[C@H](c4cccc(-c5ccccc5)n4)C3)ccc2[nH]1 72361039 PTPZPBXZWGUKFO-FQEVSTJZSA-N 396.494 4.953 0 40 GJAB CN(C)CCCC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 95452177 RVPKXTJAXWCHIT-IRXDYDNUSA-N 383.363 4.677 0 40 GJAB O=C(Nc1cccc(F)c1)c1ccn(-c2ccc3ccc(-c4cccnc4)cn23)n1 96155352 YJWPNGQMVUBGGU-UHFFFAOYSA-N 397.413 4.578 0 40 GJAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(Cl)cc3)sc2c1 110365902 VZGREQUDSLJFHA-UHFFFAOYSA-N 375.906 4.693 0 40 GJAB CCn1cc(C(=O)Nc2ccc(OC)c(Cl)c2)c(=O)c2cc(Cl)ccc21 181833719 VZEKABHHPWILCN-UHFFFAOYSA-N 391.254 4.589 0 40 GJAB CCOc1ccc(CCCNC(=O)CCc2ccc(OCC)c(OCC)c2)cc1 219278813 QVUITMJIKNGOFT-UHFFFAOYSA-N 399.531 4.564 0 40 GJAB Cc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1C 223446373 UQPGUMFPDREULV-HNNXBMFYSA-N 396.350 4.555 0 40 GJAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 223882846 HMKGLYHLESIJBG-RTBURBONSA-N 394.569 4.695 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C 224461317 LKSUFVZLDUQBFD-UXHICEINSA-N 396.947 4.867 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cccc4ccccc34)ccc21 225103000 XTPZLHRRGUEVNL-CQSZACIVSA-N 392.480 4.642 0 40 GJAB Cc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)nc1 225347015 QSGHBOPBNPELRJ-UHFFFAOYSA-N 386.373 4.917 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225802074 GLYPKRHXFZSWGB-OAQYLSRUSA-N 379.497 4.574 0 40 GJAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1C 243895577 RRKKPGMTLFCDGM-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB COc1cccc(NC(=O)c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 408554690 SUOWYGUUDJCKHI-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB O=C(O)c1cc2cc(CN3CCC(c4nc5c(s4)CCCC5)CC3)ccc2o1 565103834 HGFGLRLTQVYRNX-UHFFFAOYSA-N 396.512 4.846 0 40 GJAB O=C(c1cccc(NCc2c(Cl)oc3ccccc23)c1)N1CCC(CO)CC1 584908276 KUICBNURXUEUKG-UHFFFAOYSA-N 398.890 4.543 0 40 GJAB Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccc(C(C)C)cc1 1385032 SCIJQZRWZGFURO-UHFFFAOYSA-N 375.394 4.533 0 40 GJAB Cc1cc2c(ncn2C(C)C)c(NS(=O)(=O)c2ccccc2Cl)c1C 1388525 XZVLZBSMANYOQY-UHFFFAOYSA-N 377.897 4.688 0 40 GJAB FC(F)(F)c1ccc(-c2nnc3c(C(F)(F)F)nc4ccccc4n23)cc1 1392371 VNMGBSCFLZLNRE-UHFFFAOYSA-N 382.267 4.982 0 40 GJAB CC[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(Cl)cc1 2199577 JXHFUTFQVLTFMH-MRXNPFEDSA-N 386.908 4.645 0 40 GJAB Cc1sc2ncnc(OCC(=O)Nc3ccc(SC(F)F)cc3)c2c1C 2646920 SOACCRQOQMOINP-UHFFFAOYSA-N 395.456 4.640 0 40 GJAB O=S(=O)(NCCc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 3285114 YCPRBLHSNSRPRK-UHFFFAOYSA-N 380.296 4.668 0 40 GJAB CCn1c(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)nc2ccccc21 3378977 USHJAQXSLHPKGR-QGZVFWFLSA-N 397.544 4.629 0 40 GJAB O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)c(Cl)c1 4289733 HIBZGDJLNANDFP-UHFFFAOYSA-N 393.295 4.780 0 40 GJAB COc1ccc(-n2c(-c3ccccc3)cs/c2=N\C(=O)c2ccccc2)cc1 4472529 SPBULAGDDGPNNN-VHXPQNKSSA-N 386.476 4.956 0 40 GJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 4663512 UGJOYMWKTSIACP-UHFFFAOYSA-N 381.545 4.711 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1cccc(F)c1 5136263 FADALNZXWZDKJR-UHFFFAOYSA-N 380.444 4.733 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(c1cccc(C)n1)C3=O 5215515 ODJABOQYFAUPNV-OAQYLSRUSA-N 382.419 4.555 0 40 GJAB CCc1ccc(N2C[C@@H](C(=O)Nc3cc(C(C)(C)C)ccc3OC)CC2=O)cc1 5719394 WQMFAAQJZNFAAK-KRWDZBQOSA-N 394.515 4.547 0 40 GJAB CCN(CC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)ccc12 5840036 SDWAOYLQQLXJHY-JOCHJYFZSA-N 384.907 4.939 0 40 GJAB CC1(C)[C@@H](OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)[C@@]2(C)CC[C@@H]1C2 6617276 RLOYQHMWSVMPSX-WBJOIXBTSA-N 385.592 4.533 0 40 GJAB CCN(CC)c1ccc(NC(=O)c2cc(Br)ccc2OC)c(C)c1 6629919 ZMNVYRYIMBQLBE-UHFFFAOYSA-N 391.309 4.865 0 40 GJAB CCN1C(=O)/C(=C\c2ccc(OC)cc2C)S/C1=N/c1ccc(OC)cc1 6954440 QOBUZUQXYYGIMK-HNPUNDFXSA-N 382.485 4.636 0 40 GJAB CC(C)n1ncc2c(C(=O)N3CCC[C@H]3c3cccs3)cc(C3CC3)nc21 7987465 SQIHJDJKOPBGCB-SFHVURJKSA-N 380.517 4.928 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2cc(C)ccc2C(C)C)c1 8062564 OYCHYMGYKNUQSQ-NRFANRHFSA-N 397.515 4.878 0 40 GJAB COc1ccccc1O[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 8480704 JFFUWVNWKRPIDA-LJQANCHMSA-N 375.468 4.692 0 40 GJAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2)n1 8664938 VFBHGJZQGKIPHM-JOCHJYFZSA-N 396.446 4.863 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)NCCCc2ccc(Cl)cc2)CC1 9062546 DEOVUJOERHOGFD-UHFFFAOYSA-N 384.951 4.609 0 40 GJAB COc1cccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@@H](c3ccco3)C2)c1 9781671 LFZANZUVPJMDSR-LJQANCHMSA-N 380.831 4.933 0 40 GJAB CCc1cccc2c(CC(=O)Nc3ccc4c(c3)C[C@@H](C)N4C(C)=O)c(C)[nH]c12 12204618 GLORVLUCMJKFSU-CQSZACIVSA-N 389.499 4.517 0 40 GJAB CC[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 12558113 UTRKISLBLADDRM-VGSWGCGISA-N 380.513 4.663 0 40 GJAB O=C(O)CCC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 12649908 UIDAXORFQBOKLU-KRWDZBQOSA-N 393.483 4.902 0 40 GJAB COc1ccc(C)cc1NC(=O)c1c(C)nc(-c2cccs2)nc1SC 12818686 PQCSCPKSDMLTCR-UHFFFAOYSA-N 385.514 4.805 0 40 GJAB C[C@H](Nc1ncnc2scc(-c3ccccc3)c12)[C@H](O)c1ccc(O)cc1 12913315 XOVOKWMGJCUAOS-DJJJIMSYSA-N 377.469 4.598 0 40 GJAB CC[C@@H](C)Cn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 13807259 WWQLNDMYYBVNLM-IAGOWNOFSA-N 377.488 4.612 0 40 GJAB S=c1n(CN2CCc3sccc3[C@@H]2c2cccs2)nc2ccccn12 14181821 RYJDZZFBINDHCM-QGZVFWFLSA-N 384.555 4.593 0 40 GJAB C[C@H](NC(=O)CCc1csc(NC(=O)Nc2ccccc2)n1)c1ccccc1 16849040 VZIFSDILLXDMHZ-HNNXBMFYSA-N 394.500 4.597 0 40 GJAB CCC[C@H](C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)n1nc(C)cc1C 19501817 CGGWJERSSNTFQI-DENIHFKCSA-N 399.535 4.516 0 40 GJAB Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@H](c1cccc(Cl)c1)C2 19817373 DGYMELNOYFASNF-CQSZACIVSA-N 376.847 4.623 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)NC(c1ccccc1)c1ccccc1 20047874 AVEHANWNNNLUIW-QFIPXVFZSA-N 375.468 4.758 0 40 GJAB Cc1cc2nc(-c3cccc(NC(N)=S)c3)oc2c(Br)c1C 20156920 UYPGYXRNJZCGIV-UHFFFAOYSA-N 376.279 4.530 0 40 GJAB CCOc1cc2c(cc1CSc1nnc(-c3ccccc3OC)o1)O[C@@H](C)C2 21977554 KVHBNYXZNXUUGZ-ZDUSSCGKSA-N 398.484 4.760 0 40 GJAB O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1cccnc1 22927673 CHDXNQNSGYHXHK-NRFANRHFSA-N 382.916 4.874 0 40 GJAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccc(COc2ccc(F)cc2)o1 28243998 VPTQBBLKKSYMAY-UHFFFAOYSA-N 377.375 4.640 0 40 GJAB Cc1[nH]c(/C=C2/C(=O)Nc3cc(-c4ccccc4)ccc32)c(C)c1CCC(=O)O 36758429 APYYTEJNOZQZNA-DEDYPNTBSA-N 386.451 4.808 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 40103992 ZFUQCCDMIOZALA-GFCCVEGCSA-N 375.856 4.532 0 40 GJAB CCCN(Cc1ccccc1)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1 40104817 GIWPKZVVPGFXAD-UHFFFAOYSA-N 379.504 4.675 0 40 GJAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1cc(C2CC2)nn1-c1ccccc1 40112587 VBYSKSORJKTDPO-UHFFFAOYSA-N 397.438 4.584 0 40 GJAB CCCCN(C)C(=O)C1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1 40155963 GNARIAFOHFVPMP-UHFFFAOYSA-N 390.593 4.518 0 40 GJAB CCc1cccc2c(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=S)N3C)c[nH]c12 44599061 IBXSWBWKDXENOT-WQRHYEAKSA-N 395.915 4.988 0 40 GJAB O=C(c1cccc(F)c1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCCC2 45933227 UKEUSADZGKEWEW-UHFFFAOYSA-N 384.451 4.898 0 40 GJAB CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)c1 48505800 ZPYGCHYDQONLIL-SNVBAGLBSA-N 399.800 4.601 0 40 GJAB COc1cccc([C@@H]2CC(O)=Nc3c2cnn3C)c1OCc1cccc(Cl)c1 49543964 XPZAOMITZHRFGM-INIZCTEOSA-N 397.862 4.785 0 40 GJAB CCCc1noc([C@H](C)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)n1 59577771 TZECHWAKOYBUPZ-AWEZNQCLSA-N 385.430 4.773 0 40 GJAB CC[C@@H]1CCc2nc(NC(=O)c3cc(C)n(CC(F)(F)F)c3C)sc2C1 65157542 WNNUFTFPFISUPQ-GFCCVEGCSA-N 385.455 4.891 0 40 GJAB CC(C)c1ccc(CNC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 72328204 PGVIZFSVFNHSPL-UHFFFAOYSA-N 398.304 4.893 0 40 GJAB COc1ccc(CN2CCCC[C@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 72376770 HWJKRBSHGDITMN-NRFANRHFSA-N 392.478 4.601 0 40 GJAB CCCc1nc([C@H](Nc2ncnc3c2oc2ccccc23)c2ccccc2)no1 84759029 LKNMTCFUWLHCLI-GOSISDBHSA-N 385.427 4.913 0 40 GJAB O=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 96625804 YEYNGADLOLCZSR-UHFFFAOYSA-N 391.342 4.564 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(OC)c(Cl)cc1OC 222960858 KUJQGLHFNMYHOI-MRXNPFEDSA-N 377.868 4.770 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 223173786 RCOCVKMJGASWTQ-IBGZPJMESA-N 395.543 4.869 0 40 GJAB COc1cccc(OCc2cc(C(=O)NC3CCCCCC3)ccc2OC)c1 224249918 UROVTHRVUDPBPT-UHFFFAOYSA-N 383.488 4.735 0 40 GJAB CCOc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1Cl 225182546 XKMUMMNRYBDHKT-UHFFFAOYSA-N 375.896 4.845 0 40 GJAB COc1ccc(NC(=S)NCCCSCc2cccc(C)c2)cc1OC 225603260 XVGDPBRTNYVHHP-UHFFFAOYSA-N 390.574 4.622 0 40 GJAB S=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1cccc(Cl)c1 225832529 YTQYLDFFXJHIOL-UHFFFAOYSA-N 379.272 4.530 0 40 GJAB C[C@@H](NC(=S)Nc1nc(Cl)cc(N2CCCCCC2)n1)c1ccccc1 225964146 ZPWVIFJYTDOOLK-CQSZACIVSA-N 389.956 4.558 0 40 GJAB CC(=O)Nc1ccc(-c2ccc(NC(C)=O)cc2NC(=O)c2ccccc2)cc1 255187631 FSOGSBUQQSUZIZ-UHFFFAOYSA-N 387.439 4.523 0 40 GJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)C(=CC[C@@H]4C4=CC(=O)OC4)[C@H]3CC[C@@H]2C1 256546254 CKFRUFAILBIDGU-HBLYSXNNSA-N 398.543 4.980 0 40 GJAB CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2C)cc1 408614364 BICLKRJQACQSDY-UHFFFAOYSA-N 388.467 4.576 0 40 GJAB COc1ccc(CNC(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)cc1 524734055 RKWQFQIGOZTTMR-NRFANRHFSA-N 392.503 4.673 0 40 GJAB O=C(O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1CCC1CCCC1 585265801 RSWWXJRATVWFFA-UHFFFAOYSA-N 393.531 4.757 0 40 GJAB Nc1cccnc1C(=O)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1 1625883782 VPUISOZZNXQFKH-UHFFFAOYSA-N 388.254 4.693 0 40 GJAB Nc1c(C(=O)NCc2ccccc2)sc2nc(-c3ccc(F)cc3)ccc12 661630 BWLGXMWRUZJYCZ-UHFFFAOYSA-N 377.444 4.615 0 40 GJAB Cc1ccc(OCc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 715000 USVMQKXUWRLJKG-UHFFFAOYSA-N 381.501 4.975 0 40 GJAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1C1CCCCC1 797571 CIUZBOJKRPFVLW-UHFFFAOYSA-N 380.517 4.747 0 40 GJAB COc1cccc(C2=N/C(=C/c3ccc(-c4ccccc4Cl)o3)C(=O)O2)c1 1119800 NRCGMMRTCRSJPU-LDADJPATSA-N 379.799 4.953 0 40 GJAB COc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)Nc2cccc(F)c2)C3)cc1 1370558 SGLJFUYVBSASKN-NHCUHLMSSA-N 397.494 4.542 0 40 GJAB Cc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1 1377800 BOYKIOIIGFQJFA-ROUUACIJSA-N 385.602 4.929 0 40 GJAB CCOc1ccc(C(=O)[C@@H](C)[C@H](C)c2cc(Cl)cc3c2OCOC3)c(O)c1 2160657 ZHTDENBYWIFXCL-STQMWFEESA-N 390.863 4.933 0 40 GJAB biogenic C[C@@H]1CCC[C@@H](NC(=O)CCCC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1C 4700227 AEYUOUOTMARILI-CKEIUWERSA-N 384.442 4.755 0 40 GJAB O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccc(F)cc2)on1 4880460 JWLHUEWZYWHOMY-UHFFFAOYSA-N 397.150 4.774 0 40 GJAB CCCCc1ccc(NC(=O)c2ccc(I)cc2)cc1 5671685 XKSKOXIGSRQPTB-UHFFFAOYSA-N 379.241 4.886 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1Cl 6128863 LAMUUWAEYVPYIS-UHFFFAOYSA-N 398.919 4.837 0 40 GJAB O=C(Nc1ccccc1-c1nc2ccccc2c(=O)[nH]1)C12CC3CC(CC(C3)C1)C2 6383147 QALLHFACUTVFIF-UHFFFAOYSA-N 399.494 4.745 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@@H](C(=O)N(CC)CC)c3ccccc3)n2)cc1 7150655 NRTFXZNYFAHLSC-LJQANCHMSA-N 394.544 4.736 0 40 GJAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1ccc(S(=O)(=O)C(F)F)cc1 7596163 GTKIDHRXZCOEPE-UHFFFAOYSA-N 399.418 4.506 0 40 GJAB C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc2c(c1)OCCO2 7779190 SINUOWCBXFMCER-OAHLLOKOSA-N 379.481 4.581 0 40 GJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(N(CC)CC)cc3)[nH]c2c1 8310611 STASDLMNVXLFGC-UHFFFAOYSA-N 398.532 4.539 0 40 GJAB Cc1cc(C)c2nc(Nc3ncc4c(n3)C[C@H](c3ccco3)CC4=O)nc(C)c2c1 10157471 VEPGPHWECORZLS-HNNXBMFYSA-N 399.454 4.594 0 40 GJAB Cc1cc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc(C)n1 12016778 FXIWQQQGQJSXGW-SECBINFHSA-N 389.830 4.885 0 40 GJAB Cc1cc(Br)ccc1NC(=O)/C=C/c1ccc(Br)o1 12806802 CAWBWANRODJCML-QPJJXVBHSA-N 385.055 4.765 0 40 GJAB CCOc1ccccc1-c1noc(COc2ccc(F)c3c2C(=O)C[C@H]3C)n1 14369396 KHURHNYEZKKZPV-GFCCVEGCSA-N 382.391 4.543 0 40 GJAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)o3)N3CCCCC3)no2)cc1 15860451 GMEULRRBMCLEQA-HXUWFJFHSA-N 393.487 4.508 0 40 GJAB Cc1ccc(C2(C(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)CCCC2)cc1 20096590 CTUWBABYGOLPBW-UHFFFAOYSA-N 398.934 4.936 0 40 GJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSCc2ccccc2F)c1 20460358 AWKFWUTXNCTWRJ-KRWDZBQOSA-N 375.509 4.568 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3cccc(C)c3)n2)cc1 21792098 JPESWGVKCZNMQE-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB CC(C)NC(=O)Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 24510016 HYQNTUAZAHSCSM-UHFFFAOYSA-N 387.483 4.987 0 40 GJAB CCCc1ccc([C@@H](NCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C(C)C)cc1 24771871 HEBDDHRVKZOMBC-NRFANRHFSA-N 395.572 4.913 0 40 GJAB Cc1sc2nc([C@H](C)Nc3ccc(Br)cc3)[nH]c(=O)c2c1C 25060326 ZGAYTOVITYSPGL-VIFPVBQESA-N 378.295 4.537 0 40 GJAB CC(C)[C@H](C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1 25918160 LPDYQMOPVQYMMV-KKSFZXQISA-N 396.922 4.880 0 40 GJAB CCOc1ccc(S(=O)(=O)Oc2ccc(Cl)c(C)c2)c2ccccc12 26844617 BUTDHUKQWFGXOB-UHFFFAOYSA-N 376.861 4.968 0 40 GJAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 28296109 UGTWBJYJTAWASN-FQEVSTJZSA-N 397.906 4.808 0 40 GJAB O=C(Nc1cccc(Cl)c1)[C@H]1CC(O)=Nc2c(-c3ccc(F)cc3)cnn21 32100957 WOLLGLILDBVYAS-MRXNPFEDSA-N 384.798 4.514 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CNC[C@H](c1ccccc1Cl)N(C)C 39979602 VHHYGJIIOPPEEA-JOCHJYFZSA-N 382.939 4.535 0 40 GJAB CCOc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cccc(F)c3)cs2)cc1 40068087 RVRUAUUVJOJYJB-AWEZNQCLSA-N 384.476 4.768 0 40 GJAB COc1ccccc1CNc1ncccc1C(=O)Nc1cc(Cl)ccc1OC 40556515 LHJYZCRVFIBGDR-UHFFFAOYSA-N 397.862 4.617 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 44840030 LXYZVGIBZDVEKO-KRWDZBQOSA-N 399.556 4.666 0 40 GJAB Cc1c(NC(=O)Cc2ccc(F)cc2)cccc1NC(=O)Cc1ccc(F)cc1 59497640 WLXKHFUTKOYGHD-UHFFFAOYSA-N 394.421 4.636 0 40 GJAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 59922701 GSQWIHYTSAPGQK-KRWDZBQOSA-N 380.488 4.589 0 40 GJAB CCN(C(=O)CCc1c(C)nc2cc(C)nn2c1C)c1ccc2ccccc2c1 60248031 SDASJEARFVTMAZ-UHFFFAOYSA-N 386.499 4.793 0 40 GJAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(-c2ccccc2F)s1 65738050 KBMCQCPNRRVTMZ-UHFFFAOYSA-N 377.444 4.670 0 40 GJAB CNc1ncccc1CN1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72359131 AQHCOTZDWIEHLV-KRWDZBQOSA-N 393.922 4.613 0 40 GJAB COc1ccccc1CC(=O)NCc1sc(-c2ccccc2Cl)nc1C 90593166 BZTFXZNSQGWGCW-UHFFFAOYSA-N 386.904 4.639 0 40 GJAB CCOc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)O)cc1OCC 95097218 GCMZDWBBOGXCBZ-UHFFFAOYSA-N 383.469 4.902 0 40 GJAB CCOC(=O)c1cc2cc(NCc3cn4cc(Cl)ccc4n3)ccc2s1 95349848 GZENUFZROYOWRD-UHFFFAOYSA-N 385.876 4.991 0 40 GJAB COc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2Cl)c1 95946109 JCVJYBIGBLHHJO-IBGZPJMESA-N 380.831 4.933 0 40 GJAB c1coc(CN[C@@H]2CC3(CCN(Cc4nccs4)CC3)c3ccccc32)c1 96079059 PZDGVHBAGBEZJN-HXUWFJFHSA-N 379.529 4.505 0 40 GJAB CSc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1 98211275 QIRSHMPWQOQKNY-UHFFFAOYSA-N 390.468 4.566 0 40 GJAB O=C(Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1)N2)c1ccccc1 100786935 UVTDYYICUJATLY-NRFANRHFSA-N 393.450 4.586 0 40 GJAB Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(F)cc1C)C(=O)[C@@H]1CCCC1=N2 101945624 DTAFTYJQBOZTOD-QGZVFWFLSA-N 393.462 4.609 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 136532179 UVIOQQKXVNRIDC-CALCHBBNSA-N 396.874 4.580 0 40 GJAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Nc3ccc(Cl)cc3)CC1)O2 170550254 WOJIALIBISLHJJ-UHFFFAOYSA-N 384.863 4.680 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219359467 VGVZVQMYPWLSML-UXHICEINSA-N 383.488 4.580 0 40 GJAB C[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(F)cc1 222743162 CCYJXPMLZCZLDF-KWPCUBQOSA-N 394.471 4.536 0 40 GJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1C(C)C 223304053 RNLGKEBOHRPGCT-CQSZACIVSA-N 381.925 4.820 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NC(C)(C)C 223494272 ZXFLCZFPTKYTHB-INIZCTEOSA-N 387.351 4.815 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 223926130 LCKGWOKSWPYTEY-SFHVURJKSA-N 394.515 4.960 0 40 GJAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224422427 BRRBKMJMOVRWJJ-PMACEKPBSA-N 380.492 4.780 0 40 GJAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 224648030 JSDZQHKVUVKIOA-QGZVFWFLSA-N 379.909 4.701 0 40 GJAB S=C(NCc1ccncc1)Nc1cccnc1Sc1ccc(Cl)cc1 225191395 CJVBNCXUEWWMEF-UHFFFAOYSA-N 386.933 4.768 0 40 GJAB COc1cc(C)c(C(=O)Nc2nnc(SCC(C)C)s2)cc1C(C)C 225670844 STLUPPPGXXCQIQ-UHFFFAOYSA-N 379.551 4.979 0 40 GJAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C(F)(F)F 225771668 BOLJEEFOBZLOEW-UHFFFAOYSA-N 393.405 4.709 0 40 GJAB O=C(Nc1ccc2sncc2c1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 225904055 KODFZMPXQBGUFM-HNNXBMFYSA-N 385.920 4.800 0 40 GJAB Cc1csc(Nc2cccc(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)n2)n1 257215369 CPUKICFFJRWMSE-KRWDZBQOSA-N 382.533 4.652 0 40 GJAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257286746 PMVWWPANJVHNRZ-QGZVFWFLSA-N 385.464 4.537 0 40 GJAB Cc1cc(N2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc(C)n1 257312640 UOXSTLSBZVWHJW-FQEVSTJZSA-N 376.479 4.602 0 40 GJAB O=C(COc1ccccc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257338510 YXTKBRNYTJSQCI-OAQYLSRUSA-N 394.446 4.537 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 408628399 SLQOTYNGINFEFF-UHFFFAOYSA-N 387.439 4.778 0 40 GJAB Cc1[nH]c2ccccc2c1C1=CCN(C(=O)Nc2cc(C)c3c[nH]nc3c2)CC1 501394502 NKOPTHMKGIKTFB-UHFFFAOYSA-N 385.471 4.982 0 40 GJAB Cc1ccc(NC(=O)N2CCC[C@H]2c2c(C)cccc2C)cc1N1CCNC1=O 666917245 MXHGJDNMIJFSKW-IBGZPJMESA-N 392.503 4.510 0 40 GJAB O=S(=O)(c1cccc(-c2csc(-c3ccccc3)n2)c1)N1CCCCC1 703926 DPISMSORJHNNQS-UHFFFAOYSA-N 384.526 4.652 0 40 GJAB Cc1nc(N2CCC(C)CC2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2281349 ZXZDKFWXJYKGIK-UHFFFAOYSA-N 382.533 4.636 0 40 GJAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3cccnc3)cc12 3170545 HLUNXBDXLFTAOV-UHFFFAOYSA-N 387.391 4.891 0 40 GJAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)NC1CCCCC1 3291696 JQNQZERVYUSRPN-UHFFFAOYSA-N 394.496 4.569 0 40 GJAB COc1ccc([C@@H](CNC(=S)Nc2cccc(C)c2C)N2CCCCC2)cc1 3429057 LBGFMPRHXDOXHB-JOCHJYFZSA-N 397.588 4.826 0 40 GJAB O=C(COc1ccc(Cl)cc1Br)Nc1cccc(Cl)c1 3510425 VCKDGLRXXKRWKG-UHFFFAOYSA-N 375.049 4.773 0 40 GJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1F 4033439 AAPWXPVVACQHHI-GOSISDBHSA-N 385.442 4.744 0 40 GJAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccco3)nc12 4273243 KPLKBKMKTLNGDY-UHFFFAOYSA-N 379.441 4.530 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1oc2ccccc2c1NC(=O)C1CCCC1 4354024 KZSPTFZULBMGFD-UHFFFAOYSA-N 392.411 4.543 0 40 GJAB CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccccc1F 4672158 XNXWETNQBGMVMP-UHFFFAOYSA-N 387.476 4.605 0 40 GJAB CCOc1ccccc1NC(=O)c1sc2nc3ccc(OC)cc3cc2c1N 4848780 GKIWRZYYWAZPRM-UHFFFAOYSA-N 393.468 4.691 0 40 GJAB COc1ccc(NC(=S)N2CCC[C@H](c3nc4cc(C)c(C)cc4[nH]3)C2)cc1 4858926 NUIWIIHHTIKSFF-INIZCTEOSA-N 394.544 4.765 0 40 GJAB COc1ccc(CNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)cc1 4881152 NDPMBPIUTDCQAN-UHFFFAOYSA-N 377.227 4.587 0 40 GJAB CCc1c(C)sc2nc(C)nc(SCC(=O)Nc3ccc(F)cc3)c12 4888824 KYCFBUUXVXJULG-UHFFFAOYSA-N 375.494 4.740 0 40 GJAB CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 5903389 DHXOOYKPZFBSRN-FMIVXFBMSA-N 382.935 5.000 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccco1 6356611 SMPACSTUNNLKOW-UHFFFAOYSA-N 397.287 4.596 0 40 GJAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(Cl)cc1 6393077 NDKYVTGDMPGCCC-UHFFFAOYSA-N 376.894 4.666 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1c(F)cccc1Cl 8041678 KJWWJANPJILCSB-LJQANCHMSA-N 395.927 4.995 0 40 GJAB Cc1sc2nc(CSc3ccccc3)nc(N3CCC[C@@H](O)C3)c2c1C 8132156 NQNVXOKDELEQHC-OAHLLOKOSA-N 385.558 4.562 0 40 GJAB Cc1cccc2nc(C(=O)N3CCc4sccc4[C@H]3c3cccs3)cn12 8216506 JFHLDWKCOPREAO-IBGZPJMESA-N 379.510 4.554 0 40 GJAB CCCCCn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 8625526 GOQDTQMKHUKQRJ-KRWDZBQOSA-N 377.488 4.756 0 40 GJAB Cn1cnnc1Sc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 8943023 GLYLUHDSAFXXRJ-UHFFFAOYSA-N 379.272 4.525 0 40 GJAB C[C@]1(CS(=O)(=O)c2ccccc2)CC(c2ccccc2)=NN1c1ccccc1 9142770 NIINAVDRAWGASU-HSZRJFAPSA-N 390.508 4.534 0 40 GJAB O=C(Cc1ccc(F)cc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 10020499 UYKXTTPSEYMOMM-UHFFFAOYSA-N 395.434 4.745 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccccc2Cl)c1 10444124 TWHLHASYLBXBNZ-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB COc1ccc(C2(NCc3cn[nH]c3-c3cccc(OC)c3)CCCC2)cc1 12143844 WETWMRDDPMXMHR-UHFFFAOYSA-N 377.488 4.653 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 12734417 IYYYVBPRFLXMFL-UHFFFAOYSA-N 394.427 4.582 0 40 GJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12795628 KBTJWQIEUYBEES-KRWDZBQOSA-N 391.389 4.844 0 40 GJAB COc1ccc(OC)c(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1 13972486 QVIRYRJSZCUVRM-UHFFFAOYSA-N 394.496 4.958 0 40 GJAB CCS(=O)(=O)c1ccc2oc(/C=C/c3ccc(OC(F)(F)F)cc3)nc2c1 14196578 WOONMAWHGASSIH-BJMVGYQFSA-N 397.374 4.690 0 40 GJAB C[C@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccc(F)cc1F 15694232 AQPPLHZTKKAMIU-NSHDSACASA-N 396.231 4.568 0 40 GJAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 15857960 LWURBZMLVCBDCK-UHFFFAOYSA-N 392.499 4.641 0 40 GJAB CC(=O)c1cccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)c1 17121600 IDHTYPXNKIEJFC-UHFFFAOYSA-N 377.835 4.724 0 40 GJAB CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC(C)CC3)c(O)n2n1 22853272 WCYCEKDRRJHHHP-INIZCTEOSA-N 390.940 4.534 0 40 GJAB O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc(F)c(F)c2)s1 24356326 ROVYGNUPVUSAAC-GHXNOFRVSA-N 395.793 4.945 0 40 GJAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1CCc1ccccc1 29766335 CALOWFODHOKPNN-UHFFFAOYSA-N 398.506 4.529 0 40 GJAB Cc1cnc2c(S(=O)(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)cccc2c1 32097423 TYYXPBOKKGBITO-UHFFFAOYSA-N 395.484 4.783 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c(C)c1 32578922 CCVSOLCYKSYKKA-QGZVFWFLSA-N 393.487 4.733 0 40 GJAB Cc1sc2c(c1C)c(=O)nc1n2Cc2ccccc2/C1=C/c1ccccc1O 32696074 LDLSHSYCLMNPAF-WQRHYEAKSA-N 386.476 4.731 0 40 GJAB Cc1cc(C)c2[nH]c(CSCC(=O)Nc3ccccc3Cl)cc(=O)c2c1 33063687 FNEJPNBTVWUOQP-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB CCc1ccc(NC(=O)CSCc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1 33064058 QDKKSKHCBHFIHU-UHFFFAOYSA-N 380.513 4.579 0 40 GJAB Cc1cccc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc23)c1 33114715 QGIOVXKXDNGAPT-UHFFFAOYSA-N 392.528 4.659 0 40 GJAB Clc1ccc(COc2cccc(CNCCCn3ccnc3)c2)c(Cl)c1 35268945 IXOVTGDSDXTPLR-UHFFFAOYSA-N 390.314 4.949 0 40 GJAB O=C(/C=C/c1cccs1)NC(=S)N(Cc1ccccc1)c1ccccc1 36621767 JPLKNQWAYFKYIB-BUHFOSPRSA-N 378.522 4.869 0 40 GJAB CC(C)(C)n1nc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1C1CC1 40134971 ZEHBMPAOBYIUTC-UHFFFAOYSA-N 381.398 4.709 0 40 GJAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Cn3ccnc3C)cc1)CC(C)(C)O2 44855283 JOBUPJDUXIJTPT-OAQYLSRUSA-N 389.499 4.580 0 40 GJAB O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44921242 TWPPARKSXQMSLM-GOSISDBHSA-N 395.528 4.577 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2ccccc2C(F)(F)F)C2CC2)c1 48364356 LOHDSWRTAPRADT-UHFFFAOYSA-N 379.378 4.527 0 40 GJAB C[C@H](Cc1c(F)cccc1F)NC(=O)c1cccnc1Nc1cccc(F)c1 57336016 FHKGAOITHXMXQX-CYBMUJFWSA-N 385.389 4.604 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CNC(c1ccccc1)c1ccccc1 58131123 DZYREVOWAYBPOT-UHFFFAOYSA-N 380.875 4.666 0 40 GJAB Cc1cccc2c1N[C@@H](c1csc(-c3ccc(C(F)(F)F)cc3)n1)NC2=O 60523376 UGWUUVYGXDZBAV-MRXNPFEDSA-N 389.402 4.991 0 40 GJAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccccc1Cl 67296311 NFAYZITZMJIIIK-FLFQWRMESA-N 375.815 4.966 0 40 GJAB CC(C)c1c(C(=O)NCc2cccc3cccnc23)cnn1-c1ccc(F)cc1 68747131 QRJDBNAHTDDJEY-UHFFFAOYSA-N 388.446 4.613 0 40 GJAB Nc1cc(Cl)c(NC(=O)c2cccc(Br)c2)cc1N1CCCC1 72229260 QGXLJGCQELOCMM-UHFFFAOYSA-N 394.700 4.537 0 40 GJAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCc2ccccc2C1 72328429 IXDREQHXPNREBE-UHFFFAOYSA-N 393.918 4.933 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cc(C)ccn2)C12CCCC2 79484113 HEIYTSXNVQYONC-DYESRHJHSA-N 391.515 4.679 0 40 GJAB c1ccc2c(-c3nn4c(C56CC7CC(CC(C7)C5)C6)nnc4s3)c[nH]c2c1 80346374 UZUQVLMMGHOBSX-UHFFFAOYSA-N 375.501 4.802 0 40 GJAB CCOc1cc(C=O)ccc1OCc1nc(-c2cc(Cl)cc(Cl)c2)no1 89263017 YQQCHTGAPUYCFB-UHFFFAOYSA-N 393.226 4.834 0 40 GJAB COc1cc(C(=O)N(C)c2c(Cl)cccc2Cl)ccc1OC(F)F 89364946 FDJZANAJTPFMMS-UHFFFAOYSA-N 376.186 4.880 0 40 GJAB FC(F)(F)Cn1ccnc1CSc1ncc(C(F)(F)F)cc1Cl 95348705 JQCWNYIDRNQOJP-UHFFFAOYSA-N 375.725 4.805 0 40 GJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCSc1ccccc1 95481672 NCCCEBIHZKVLNE-UHFFFAOYSA-N 387.892 4.531 0 40 GJAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1c(F)cccc1Cl 96119667 RFPFXSBTIJNJKY-UHFFFAOYSA-N 397.793 4.965 0 40 GJAB CC(C)[C@H](NC(=O)CCn1ccc2ccc(F)cc21)c1nc2ccccc2[nH]1 96224160 NAMMOIFKWRCLRI-NRFANRHFSA-N 378.451 4.560 0 40 GJAB Cc1cccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)c1C 100423326 UCOYJYRURKASEM-NHCUHLMSSA-N 379.573 4.785 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)cc1Cl 219609697 BZLQKGMBPVBFRN-QGZVFWFLSA-N 396.270 4.966 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc(OC)c(OC)c1 222913142 LXRQIXOXBQPPJH-HXUWFJFHSA-N 399.531 4.518 0 40 GJAB CC(C)Oc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 225324537 PURJKFWZQOZYPG-UHFFFAOYSA-N 385.514 4.870 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)NCc1cccnc1-c1cccnc1 225642981 XPSXBEAWNWITTA-UHFFFAOYSA-N 386.282 4.699 0 40 GJAB CCC1(CC)C[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2)c2ccccc2O1 225737414 DSMDDVOMCKBPOD-GOSISDBHSA-N 393.936 4.842 0 40 GJAB Cc1ccc(C)c(NC(=O)c2snnc2-c2ccc(Br)cc2)c1 225783029 IBIBONPBNTZWRD-UHFFFAOYSA-N 388.290 4.837 0 40 GJAB CCCCOc1ccc(Br)cc1-c1nc2ccc(C(=O)O)cc2[nH]1 256028209 YRUUJRQSXZRKGJ-UHFFFAOYSA-N 389.249 4.870 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 408585935 LFOYKZMXIGAOHQ-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB Cc1cccc(C)c1OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408650770 BQEJMNKUJYQVOH-ZDUSSCGKSA-N 378.255 4.569 0 40 GJAB Cc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(Cc3ccccc3)OC2=O)cc1 408849418 YJHVPRVQWUHRGN-LTGZKZEYSA-N 397.430 4.753 0 40 GJAB Cc1ccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@H]3[C@@]2(O)C(F)(F)F)cc1 409097266 MXIKOOFOISRKOL-QMTMVMCOSA-N 382.426 4.520 0 40 GJAB O=C1N/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1c1ccc(Cl)cc1 409172113 HUHMEASLUDXJRW-GZTJUZNOSA-N 382.778 4.836 0 40 GJAB Nc1c(NC(=O)OC2CC2)ccc(NCc2ccc(C(F)(F)F)cc2)c1F 1776011349 ABYIXDBMGLFCSO-UHFFFAOYSA-N 383.345 4.750 0 40 GJAB COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)cc1Cl 641801 FEJFCMNMVCCEMO-UHFFFAOYSA-N 393.295 4.840 0 40 GJAB Brc1ccc(OCc2nnc(SCc3ccccc3)o2)cc1 892249 YQDLWKAJPUBJNH-UHFFFAOYSA-N 377.263 4.703 0 40 GJAB COc1cccc(C(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C)C4)c1 928924 TYKFKHMWCYRNKU-GFCCVEGCSA-N 384.526 4.800 0 40 GJAB Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3Cl)C2=O)cc1Cl 938215 ACNCNWGXBRYWPP-UHFFFAOYSA-N 395.673 4.733 0 40 GJAB O=C(c1ccccc1C(=O)N1CCCc2ccccc21)N1CCCc2ccccc21 973645 KZIUZWSGKFPTRQ-UHFFFAOYSA-N 396.490 4.873 0 40 GJAB CCOc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)cc1 1370533 DIUYXOZZHBREHZ-FGZHOGPDSA-N 396.506 4.540 0 40 GJAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccc(F)cc2)c(-c2ccccc2)c1=O 2237668 MQWOMTDVUDVPKI-UHFFFAOYSA-N 399.425 4.599 0 40 GJAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 2634908 QCUJXHRBYCTESB-SFHVURJKSA-N 393.508 4.831 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(O)cc1)N(Cc1ccccc1)C3=O 2704570 OIVGJMZZAVHJSY-JOCHJYFZSA-N 397.430 4.552 0 40 GJAB Cc1ccc(-n2c(SCc3cccc(F)c3)nc3c(c2=O)SCC3)cc1 2719776 CDKOJMZIPFJDPF-UHFFFAOYSA-N 384.501 4.621 0 40 GJAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F 3313777 MOJXCQGMNVVFDK-QGZVFWFLSA-N 397.277 4.916 0 40 GJAB CC1=NN(C(=O)c2sc3cccc(Cl)c3c2Cl)[C@](O)(C(F)(F)F)C1 4178902 BHHNXVRYGFQTDR-CYBMUJFWSA-N 397.205 4.681 0 40 GJAB Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)O)c2)c1 4593104 YGSPDEPXWCHZTH-UHFFFAOYSA-N 388.423 4.506 0 40 GJAB COCc1cc(C)nc2sc(C(=O)Nc3cccc(Cl)c3Cl)c(N)c12 6672749 GNZPTFWVHGPGEK-UHFFFAOYSA-N 396.299 4.892 0 40 GJAB CCOc1ccc(Oc2ccc(NC(=O)CNC(=O)C3CCCCC3)cc2)cc1 6982077 JIWNIZFVBIYMDT-UHFFFAOYSA-N 396.487 4.513 0 40 GJAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccccc1Br 7402105 IVQFASGZUKSWBA-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB Cc1ccccc1-c1nc(-c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)cs1 7778238 ULQLEZDCXGUHBK-MRXNPFEDSA-N 386.542 4.563 0 40 GJAB Cc1nc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)ccc2o1 8109979 TWSGPBOBZNJULZ-UHFFFAOYSA-N 390.770 4.609 0 40 GJAB COc1ccc2[nH]c(S[C@H](C(=O)Nc3nccs3)c3ccccc3)nc2c1 8813101 ORSHENGXQPFGRU-INIZCTEOSA-N 396.497 4.500 0 40 GJAB O=C(Cc1cccs1)Nc1nnc(SCCCc2ccccc2)s1 9095439 YVRBTBRUXYZNIJ-UHFFFAOYSA-N 375.544 4.506 0 40 GJAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCC4)cc(Cl)c1OC(C)C 9516557 UCUDHQBKXGGNFR-UHFFFAOYSA-N 390.892 4.590 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]1 9636194 XINUDILKPFEHTM-UHFFFAOYSA-N 376.843 4.848 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2[nH]c3ccccc3c2C1 9899761 TUNDFIHNFYMTDZ-LBPRGKRZSA-N 389.282 4.827 0 40 GJAB O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1ccoc1 12520247 CBLSIYDOIKXDLK-UHFFFAOYSA-N 375.306 4.542 0 40 GJAB CCc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 12747871 QSUUWLOPJQYKEU-UHFFFAOYSA-N 376.378 4.869 0 40 GJAB CCOc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc(Br)c1OC 12758915 MQQCDZUDRPIIPE-UONOGXRCSA-N 396.325 4.509 0 40 GJAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)c1 13769590 VBYFJVGKRCTMDW-QLBJFCOMSA-N 395.543 4.881 0 40 GJAB Cc1ccc(C2=NN(C(=O)CN[C@H](C)c3cccs3)[C@H](c3ccco3)C2)cc1 14125518 GPHQCXIJNZUBEM-APWZRJJASA-N 393.512 4.678 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1SCC(=O)Nc1cccc2cccnc12 14235383 OJXACDVJRJMEEB-UHFFFAOYSA-N 388.496 4.768 0 40 GJAB COC(=O)c1ccc(/C=C2\OC(=O)C(c3ccccc3)=C2c2ccccc2)cc1 16035722 RMBBQVPHOZVNKH-PGMHBOJBSA-N 382.415 4.982 0 40 GJAB CC[C@H]1c2ccsc2CCN1C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 16779190 ZDZWGFWNUUXFQD-MSOLQXFVSA-N 390.936 4.505 0 40 GJAB CCOc1ccc(-c2csc(-c3nnn(-c4cccc(F)c4)c3C)n2)cc1 16842859 ZSXJUKSMLCMTPV-UHFFFAOYSA-N 380.448 4.904 0 40 GJAB CCn1cc(CN2CCC[C@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cn1 19692070 JZNDROSTICWIHV-QHCPKHFHSA-N 378.495 4.673 0 40 GJAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccccc1CCc1ccccc1 20038703 FINOSXDVSOQWTC-UHFFFAOYSA-N 381.479 4.588 0 40 GJAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 20045917 SFNGFZYMPJAPRS-LBPRGKRZSA-N 388.316 4.573 0 40 GJAB Cc1ccc(CSCC(=O)NCCSCc2cccc(Cl)c2)cc1 20237726 BLVGLTGLKUWFPR-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 21580375 MITLALFWCDICQW-UHFFFAOYSA-N 387.439 4.890 0 40 GJAB COc1ccc(-n2nnnc2C2(Nc3ccc(C)cc3C)CCCCC2)cc1 22434786 XARULIOEYYSLBG-UHFFFAOYSA-N 377.492 4.559 0 40 GJAB Cc1ccccc1NC(=O)c1c(N)n(C(=O)c2cccs2)c2ccccc12 28535355 NUKYQFKUNYNWNE-UHFFFAOYSA-N 375.453 4.534 0 40 GJAB Fc1ccc(-c2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)o2)cc1 29251825 CZHKHHZBKBRGHR-UHFFFAOYSA-N 388.811 4.871 0 40 GJAB CCOc1ccccc1CN(C[C@H](C)O)C(=O)Nc1cccc2ccccc12 31663181 NSQKWDKGQHXMTA-KRWDZBQOSA-N 378.472 4.653 0 40 GJAB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 35041361 AINFRCYDADKZPD-PCJMVEANSA-N 385.510 4.540 0 40 GJAB O=C(c1cc2ccccc2o1)N1CCc2[nH]c3c(Br)cccc3c2C1 36369979 NOHZIVRQGFEJTL-UHFFFAOYSA-N 395.256 4.875 0 40 GJAB biogenic O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccccc1Cl 36739818 TWLZSXBNRKPZTG-FQEVSTJZSA-N 378.859 4.840 0 40 GJAB COc1ccc2cc([C@@H](C)C(=O)NCc3cn4cc(Cl)ccc4n3)ccc2c1 40050724 QICBGGVXJCHCPY-CQSZACIVSA-N 393.874 4.569 0 40 GJAB CC(C)c1noc(CCCC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)n1 40132987 DXDKHHJNSNRYGE-OAQYLSRUSA-N 381.451 4.561 0 40 GJAB Cc1c(CN(CCCn2ccnc2)Cc2cccc(F)c2)[nH]c2ccccc12 43277711 FXXJIQRLEVOPKJ-UHFFFAOYSA-N 376.479 4.904 0 40 GJAB O=C(NC1CCCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078381 JPPMNRRHEVLVCR-UHFFFAOYSA-N 376.500 4.732 0 40 GJAB COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCc3ccccc3C2)cn1 48239903 RHJVZUXWJWIBLD-UHFFFAOYSA-N 389.455 4.781 0 40 GJAB O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cc(F)c(Cl)cc1Cl 48261146 NUBDEZRVPCINDZ-UHFFFAOYSA-N 383.128 4.721 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 54276081 VZDZCKMDXCMUQJ-QKKBWIMNSA-N 386.517 4.943 0 40 GJAB CCCn1cc(-c2nc(-c3ccccc3OCC)no2)c(=O)c2ccccc21 64963676 YTNYMSUZGGHDBT-UHFFFAOYSA-N 375.428 4.527 0 40 GJAB COc1ccc2c(c1)[C@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[C@H]3CCCCO3)CC[C@@H]12 65743339 KBLHOUGMAXJFJU-UPUWNHAWSA-N 386.532 4.954 0 40 GJAB in-vitro Cc1cc(NC(=O)[C@@H](C)Nc2cccc(-c3nc4ccccc4s3)c2)no1 69709558 JDFKLAUFDZQBOM-CYBMUJFWSA-N 378.457 4.699 0 40 GJAB CCCCOc1ccccc1-c1cc(C(=O)NCc2cccc(Cl)c2)[nH]n1 72331593 ITHRAMVDQWWGSI-UHFFFAOYSA-N 383.879 4.839 0 40 GJAB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)no2)cc1 72427651 BWSQAETZNCSVCU-LBPRGKRZSA-N 390.361 4.860 0 40 GJAB CC(=O)c1sc(NC(=O)c2cnn(C(C)C)c2C2CC2)nc1-c1ccccc1 95979999 NBUITQCYMTXESN-UHFFFAOYSA-N 394.500 4.920 0 40 GJAB CC1=C(C(=S)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)NC(=O)N1 100857998 GNJBKMBFWQVZND-MRXNPFEDSA-N 391.418 4.773 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)C[C@H](c2cccs2)C1 102709910 URNTYBFRRNEZPE-XTZNXHDOSA-N 384.411 4.683 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219464358 MQDACSWEVQYDEF-SFHVURJKSA-N 386.495 4.718 0 40 GJAB COC(=O)c1cn(C(=O)c2ccccc2OCc2ccccc2)c2ccccc12 222611257 YJPPTQFGYLYPSZ-UHFFFAOYSA-N 385.419 4.695 0 40 GJAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC 223479732 BZSMXCXBDSQPAE-JOCHJYFZSA-N 384.495 4.612 0 40 GJAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2cccc(CN3CCCC3)c2)cc1 224590781 CFWZFEOGJMOQET-SDNWHVSQSA-N 376.544 4.910 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1CCCNc1ccccc1 225033624 ZKUHGCILYKWMIJ-PMACEKPBSA-N 394.569 4.618 0 40 GJAB CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)c(OCC)c1 408554315 DDBPCXIMUJRIOU-LJQANCHMSA-N 377.893 4.916 0 40 GJAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4Cl)cc3n2)cc1 408620576 HKCTXCNTBNTFSA-UHFFFAOYSA-N 391.862 4.592 0 40 GJAB CN1C(=O)N/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C1=O 409188444 HOZIPPFNLNSELV-XDHOZWIPSA-N 392.842 4.595 0 40 GJAB COc1ccc([C@@H](CNC(=O)N2CC3CC2(C)C3)c2c[nH]c3ccccc23)cc1 663424339 ONBFTHRRTVDVIA-HYSRAYMDSA-N 389.499 4.502 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)NC[C@]2(C)CC2(F)F)cc1F 665852309 GBGZUMCMHXIALR-SFHVURJKSA-N 380.366 4.793 0 40 GJAB O=C(Nc1ccc(F)nn1)c1cc(-c2ccccc2Cl)nc2ccccc12 1529396173 SXLGAFKIRRACHU-UHFFFAOYSA-N 378.794 4.737 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)Cc2cccc(F)c2)CN1c1cccc(F)c1 1615152614 BKYWZRJHGSRKCN-QHCPKHFHSA-N 384.470 4.557 0 40 GJAB Cc1cc(C)c(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)c(Cl)c1 951492 ZACJIBFARCWICD-GOSISDBHSA-N 398.890 4.606 0 40 GJAB COc1ccc(-c2cc(=O)c3cc(OC(=O)Cc4ccccc4)ccc3o2)cc1 955665 CEWPDLGSINCUCY-UHFFFAOYSA-N 386.403 4.617 0 40 GJAB Cc1ccc(C)c(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 1325662 WKTKMBWVQRXHIG-UHFFFAOYSA-N 393.478 4.841 0 40 GJAB Clc1cccc(Cl)c1CSc1nc2nccc(-c3ccccn3)n2n1 1384815 OZENDWMZLXJQGB-UHFFFAOYSA-N 388.283 4.785 0 40 GJAB O=C(Cc1ccc(Cl)c(Cl)c1)NCC1(N2CCCCC2)CCCCC1 1657930 VXJLLYSGWMNOCO-UHFFFAOYSA-N 383.363 4.841 0 40 GJAB CCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)CC1 2974848 GFJLWSASQHOYGZ-UHFFFAOYSA-N 397.526 4.538 0 40 GJAB COc1ccc(CCC(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)cc1 3419899 MHGJQIMZKFVQED-AWEZNQCLSA-N 388.920 4.806 0 40 GJAB COc1ccc(CNCC[C@@]2(Cc3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1 4006312 BWDBVIZIEPZRRP-OTPAQWSUSA-N 380.576 4.764 0 40 GJAB Cc1ccccc1-n1c(SCc2c(C)noc2C)nnc1-c1ccncc1 4057934 FMHXDMDVAWGLAA-UHFFFAOYSA-N 377.473 4.535 0 40 GJAB CC1(C)Oc2ccc(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)cc2O1 4776522 UMMDUMJKCDPXJV-UHFFFAOYSA-N 395.436 4.894 0 40 GJAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)cc1 5163265 YPPJZKUHUKOMQJ-LJQANCHMSA-N 397.478 4.614 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H](Oc2ccccc2C(=O)O)c2ccccc2)c1 6508420 GZHLVRRRMREXGM-OAQYLSRUSA-N 375.424 4.760 0 40 GJAB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 6629987 NHTUZDVSRNJDRK-DEDYPNTBSA-N 391.496 4.641 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)C4CCC4)cc3)sc2c1 6639706 UUPNBECZALEVHT-UHFFFAOYSA-N 380.469 4.554 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 7061420 CQSQVLZWPUKNPF-UHFFFAOYSA-N 375.424 4.548 0 40 GJAB COc1ccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)cc1Cl 7580407 RXXOLTIIURWROI-UHFFFAOYSA-N 390.892 4.644 0 40 GJAB CC[C@H](C)c1ccc([C@H](N[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 7719083 SAONAGZNCQTZJZ-PNLZDCPESA-N 395.547 4.613 0 40 GJAB C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 7830514 VWPHZHIECYLMEU-OOPCZODUSA-N 389.904 4.722 0 40 GJAB CC(C)c1ccc(-c2noc(CSc3nnc(C4CC4)n3C3CC3)n2)cc1 7905781 QTTXBDISURNYIM-UHFFFAOYSA-N 381.505 4.956 0 40 GJAB CSc1nnc(CCCNC(=O)c2oc3ccccc3c2C)n1C1CCCC1 7951663 LHVJCSFAOPIPGY-UHFFFAOYSA-N 398.532 4.532 0 40 GJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1cccs1 8009847 ZMVVYNCFMFELFD-UHFFFAOYSA-N 387.508 4.802 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(Br)c(Cl)c1 8041591 NDEBLNAAIOWGAE-CQSZACIVSA-N 398.684 4.907 0 40 GJAB Oc1nc(Nc2cccc(C(F)(F)F)c2)nnc1Cc1ccc(Cl)cc1 8741217 WDAIYLCUOLLENP-UHFFFAOYSA-N 380.757 4.584 0 40 GJAB CCNc1nc(SCC(=O)N(C)[C@H](C)c2ccc(F)cc2)nc2ccccc12 11572727 FVWYHNLLCRIRLF-CQSZACIVSA-N 398.507 4.512 0 40 GJAB Cc1cc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c(C)o1 11835537 OBSNRYURSDEUMA-UHFFFAOYSA-N 397.378 4.696 0 40 GJAB C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1 12540611 HIXLSIOBMOBCPU-QGZVFWFLSA-N 387.508 4.995 0 40 GJAB CCCN(C(=O)c1cnccn1)c1nc(-c2ccc(Cl)cc2Cl)cs1 12773197 LDCYHQSQGZJQLQ-UHFFFAOYSA-N 393.299 4.964 0 40 GJAB O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(-c2ccccc2)cc1 12948148 BJAMQNZZLPEKBZ-UHFFFAOYSA-N 390.826 4.601 0 40 GJAB C[C@H]1CN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@H](C)O1 13002204 GVANIWCNBNNUOR-HOTGVXAUSA-N 375.553 4.556 0 40 GJAB COc1ccc(CN(C)Cn2nc(-c3ccccc3Cl)oc2=S)cc1 13069353 DVLJCNDDYCOGOS-UHFFFAOYSA-N 375.881 4.624 0 40 GJAB C[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(C(C)(C)C)cc1 13667579 SOBXGPXUNIZICV-CYBMUJFWSA-N 383.916 4.957 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3)n2)c1 14609630 OZHIKXAEYZPRRD-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14796242 SLTANKFUTGJCSQ-DLBZAZTESA-N 396.531 4.918 0 40 GJAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2cc3c(s2)CCCCC3)cc1 16044272 YTVKABCIQNDGCK-DQRAZIAOSA-N 382.554 4.978 0 40 GJAB Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2ccc(F)cc2)on1 19120457 OLLBRFMJMKJRHN-NZQKXSOJSA-N 379.479 4.931 0 40 GJAB COCc1ccc(OC)c(CN[C@@H](Cc2cccs2)c2nc(C)cs2)c1 19240068 JAEDXTQNSKSLTK-SFHVURJKSA-N 388.558 4.742 0 40 GJAB CC[C@@H](CN1CCCC1)n1cncc1-c1c(C)nn(-c2ccc(F)cc2)c1C 19719651 ULKJRMAHSIACKM-IBGZPJMESA-N 381.499 4.539 0 40 GJAB COC(=O)c1cc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2s1 20029724 MCRSUFGXHWUULG-UHFFFAOYSA-N 379.359 4.959 0 40 GJAB O=C(O)c1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1Cl 20138461 KMLUUOVNIBVCGI-UHFFFAOYSA-N 389.032 4.706 0 40 GJAB Cc1ccc(-c2nc(COC(=O)c3cncn3-c3ccc(F)cc3)cs2)cc1 21509786 NVHAEZZJIHZLLI-UHFFFAOYSA-N 393.443 4.800 0 40 GJAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(Br)cc1 22072326 GVQONWYJVYCNSB-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB COc1ccccc1Nc1ncccc1C(=O)Nc1cccc(Br)c1 22072609 PERZOQLTZPNKJM-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB COc1ccc(OCc2ccc(C(=O)N[C@H]3CCCc4ccccc43)o2)cc1 27983823 DGJWUHCOOBFYII-NRFANRHFSA-N 377.440 4.675 0 40 GJAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3cccs3)N3CCCC3)oc2c1 27993402 GURKECFXXDNCBJ-QGZVFWFLSA-N 382.529 4.986 0 40 GJAB Cc1cc(SCCS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc12 29871459 HPXOSIBLLXGDBY-UHFFFAOYSA-N 377.918 4.763 0 40 GJAB Cc1nc(C)c2c(C)c(C(=O)Nc3nnc(C4CCCCC4)s3)sc2n1 30607161 FSZLAOAHGGMKCY-UHFFFAOYSA-N 387.534 4.768 0 40 GJAB CCOc1ccc(OCC)c(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)c1 32753462 URDJWJNMYHJPCG-UHFFFAOYSA-N 379.460 4.539 0 40 GJAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(O)c1 32863712 QQDXFRVDXFRFCR-UHFFFAOYSA-N 376.416 4.539 0 40 GJAB O=C([C@H]1Cc2ccccc2S1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 32878869 URRBRWCWKUUXII-HNAYVOBHSA-N 396.537 4.525 0 40 GJAB Cc1ccc(C(=O)CCC(=O)CCC(=O)N(C)[C@H]2CCCc3ccccc32)s1 32969111 NLHLFWZEESWFEC-FQEVSTJZSA-N 397.540 4.905 0 40 GJAB COc1ccc2c(CCNC(=O)CCc3ccc(-c4ccccc4)o3)c[nH]c2c1 33542269 KIXDDLSCYFNRKJ-UHFFFAOYSA-N 388.467 4.728 0 40 GJAB COc1cccc2cc(C(=O)NCCc3csc(-c4ccc(F)cc4)n3)oc12 38667216 GFRSBYVFFORDSK-UHFFFAOYSA-N 396.443 4.677 0 40 GJAB CCOc1ccccc1NC(=O)N(C)c1ccc(Oc2ccc(C)nn2)cc1 38670833 JOVKTVZLVPFFJG-UHFFFAOYSA-N 378.432 4.644 0 40 GJAB COc1ccccc1NC(=O)N(C)CCCCCc1cc(-c2ccccc2)n[nH]1 40149966 QSMYQIOELFWUFC-UHFFFAOYSA-N 392.503 4.962 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)C[C@H](O)c1ccccc1 79103234 SIXBWGBIZRDZMC-UGSOOPFHSA-N 384.863 4.545 0 40 GJAB CCN(Cc1csc(-c2ccc(F)cc2)n1)C[C@H]1COc2ccccc2O1 84777602 MJMIBTWVUNBCIB-SFHVURJKSA-N 384.476 4.611 0 40 GJAB Fc1ccc(CCN2CCC(Nc3ccc4c(cnn4C(F)F)c3)CC2)cc1 95992663 VYPXVZNMWPTRFW-UHFFFAOYSA-N 388.437 4.690 0 40 GJAB O=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NC1CC1 96052985 IIJXORWSKQOWMA-LJQANCHMSA-N 392.518 4.516 0 40 GJAB Cc1sc(NC(=O)c2cnoc2C2CC2)nc1-c1ccc(OC(F)F)cc1 97020267 HKQGWGKQDXCNBP-UHFFFAOYSA-N 391.399 4.838 0 40 GJAB CCc1nc([C@@H](C)NC(=O)Nc2c(F)cc(F)cc2Br)cs1 97117667 LXCZCRLXRCSIMR-SSDOTTSWSA-N 390.253 4.629 0 40 GJAB O=C(Nc1cccc(OCc2cccc(F)c2)c1)Nc1ccn(CC(F)F)n1 97164663 FHOCPAQFZKHAGL-UHFFFAOYSA-N 390.365 4.510 0 40 GJAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)c1ccccc1 97593127 DTCAUBOZRJRQII-OPAMFIHVSA-N 377.488 4.506 0 40 GJAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1)C12CC3CC(CC(C3)C1)C2 100425655 PFORADPDIUYKNE-XMLQSWANSA-N 398.616 4.966 0 40 GJAB COc1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc1 102745355 UODLIRVHFIKOSS-KZULUSFZSA-N 394.456 4.769 0 40 GJAB Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2c(-c3ccc(F)cc3)noc2n1 104062137 ZPYCPBKYWRMZBQ-OAOQPFQOSA-N 393.462 4.892 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 105606819 CJNIRBOGIIDHOU-SJORKVTESA-N 383.488 4.534 0 40 GJAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nn2C)CCS1 207003178 AIGCDWSDOSROLT-QFIPXVFZSA-N 391.540 4.716 0 40 GJAB Cc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cc1C 216032163 HGFNKSYIFPTNHW-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccc2ccccc2c1 223639985 APADVTFQKVNNEE-JOCHJYFZSA-N 377.484 4.809 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)n1 225286221 ZJHXHWJPCNUCOR-UHFFFAOYSA-N 399.947 4.724 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(F)c(F)c1)CC(C)(C)O2 225683051 IBHKBINXOJNRKY-MRXNPFEDSA-N 378.444 4.562 0 40 GJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225731034 WLIYZAFPEQDQGY-HSZRJFAPSA-N 390.568 4.721 0 40 GJAB O=C(Nc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1)c1ccccc1 226356443 QFHNZIJHNMTERQ-UHFFFAOYSA-N 386.201 4.660 0 40 GJAB Cc1cc(N2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)nc(C)n1 257266401 MCWOHAYBCYMEBK-UHFFFAOYSA-N 376.479 4.602 0 40 GJAB O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccccc1Cl 1383884 BVJHTDLNUVBJHN-UHFFFAOYSA-N 379.891 4.602 0 40 GJAB Cc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2cccnc2)c(C)c1 2643867 UDHUPVFGFBVOBX-SFHVURJKSA-N 380.517 4.607 0 40 GJAB COc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)ccc1OC(=O)c1ccco1 3290932 TWOULCZUBUSHKP-OQLLNIDSSA-N 395.798 4.654 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cccnc2Cl)c2ccccc2)c1 5020804 RGZJAUUZBLVJQH-IBGZPJMESA-N 394.858 4.889 0 40 GJAB Cc1ccc(Cl)c2sc(N3CCN(C(=O)CCc4ccccc4)CC3)nc12 5182767 HDSGYUYVQSCCQK-UHFFFAOYSA-N 399.947 4.540 0 40 GJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccccc2F)cc1 5256223 TXOSXECJBGZRQT-OAQYLSRUSA-N 379.435 4.663 0 40 GJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1cccc(Br)c1 5324811 LHGCLZLWYYSLEX-UHFFFAOYSA-N 393.237 4.613 0 40 GJAB COc1ccc(CNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1Cl 5697051 SIHYBDALADSCLO-UHFFFAOYSA-N 391.254 4.895 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c(C)c1 5698192 AUORIAGKBRRHCU-UHFFFAOYSA-N 381.472 4.810 0 40 GJAB Cc1ccc(-c2nc(C(=O)NC[C@H]3CCCO3)cc3c2[nH]c2ccccc23)cc1 6088017 WYUBBSNEBJLQEC-QGZVFWFLSA-N 385.467 4.600 0 40 GJAB biogenic Clc1ccccc1N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 6816045 YUERLVUPVKIIND-UHFFFAOYSA-N 384.936 4.550 0 40 GJAB C[C@H]1CCc2c(sc(NC(=O)c3cc4c(s3)CCCCC4)c2C(N)=O)C1 6938697 YIUUSHFAWGBNJB-NSHDSACASA-N 388.558 4.555 0 40 GJAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccccc2)C(=O)O)o1 7342164 OCLQZOGVYLSWOR-DHDCSXOGSA-N 388.832 4.616 0 40 GJAB CN(Cc1cccc(Cl)c1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 7487772 HZRUZZQSVCWHMA-UHFFFAOYSA-N 395.915 4.937 0 40 GJAB COc1ccc2cc(CN(C)C(=O)COc3ccc(F)cc3Cl)ccc2c1 8070160 HUAQRHWCIUUPEU-UHFFFAOYSA-N 387.838 4.678 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)c3ccc4ncsc4c3)cc2)cs1 8156713 NWWOHNBXGHIAPU-UHFFFAOYSA-N 379.510 4.701 0 40 GJAB COc1ccc2nc(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)[nH]c2c1 8231622 BMONZKPFZLDKCI-CYBMUJFWSA-N 399.541 4.581 0 40 GJAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=S)NCc1ccccc1 8274453 ZBUCPBJBNKNQJH-UHFFFAOYSA-N 384.936 4.688 0 40 GJAB CSc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1 8748273 FIFVLBZZPOHNEH-UHFFFAOYSA-N 377.263 4.800 0 40 GJAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 8958842 WWFQYLUCEKZYBR-UHFFFAOYSA-N 386.879 4.754 0 40 GJAB Fc1ccc(F)c(-c2nnc3sc(CCc4nc5ccccc5s4)nn23)c1 9530476 ZPMYPHSLQDGKFF-UHFFFAOYSA-N 399.451 4.526 0 40 GJAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@@H](c1ccccc1)c1cccs1 10490560 IVLJKPUJXXHOEX-IBGZPJMESA-N 397.368 4.892 0 40 GJAB Cc1ccccc1-n1ccnc1SCc1cc(=O)oc2cc(O)c(Cl)cc12 12544362 LADIBOUNODTMPS-UHFFFAOYSA-N 398.871 4.938 0 40 GJAB Cc1cccc(C)c1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 12603288 HGEPHBGVWGJRCP-UHFFFAOYSA-N 385.467 4.871 0 40 GJAB CCCn1c(=O)n(CC(=O)Nc2ccccc2-c2ccccc2)c2ccccc21 12923745 DFLKLMCHWCSRKG-UHFFFAOYSA-N 385.467 4.519 0 40 GJAB COc1ccc(NC(=O)c2cccc(OC)c2OC)cc1Cc1ccccc1 12998358 FCACRECPTBEWQE-UHFFFAOYSA-N 377.440 4.556 0 40 GJAB CCCOc1ccc2ccccc2c1CN(C)Cc1nc(O)c2sccc2n1 14202367 JLNOGOGDKWHUDZ-UHFFFAOYSA-N 393.512 4.971 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc3ccccc3c2)cc1 16545830 RFOSGQPYOSFPEK-KZTDQWPFSA-N 395.458 4.730 0 40 GJAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)cc1 16779179 JXZZYMNQQVPLGW-QGZVFWFLSA-N 380.469 4.743 0 40 GJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cccnc3)no2)cc1OC 19561521 NRRVDFLSRBYNKW-HXUWFJFHSA-N 393.487 4.871 0 40 GJAB O=C(Cc1ccccc1)N1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19687735 XFMGOTXWVUHLAF-QFIPXVFZSA-N 392.886 4.545 0 40 GJAB CC[C@H](CN1CCCC1)n1cncc1-c1c(C)nn(-c2ccccc2C)c1C 19719667 QUBDBBDVSOBXCY-HXUWFJFHSA-N 377.536 4.708 0 40 GJAB CN(C)CC[C@H](c1ccccc1)n1cncc1-c1cnn(C2CCCCC2)c1 19719958 IDYNXOPLWQKJNK-JOCHJYFZSA-N 377.536 4.793 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)c3c[nH]c4ccccc4c3=O)ccc21 22233998 LRQLCVROIYCUAW-UHFFFAOYSA-N 381.435 4.908 0 40 GJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)Cc1nnsc1Cl 22970168 HYFAJQMQSZEQLN-CYBMUJFWSA-N 386.908 4.637 0 40 GJAB Cc1nn(C)c2ncc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc12 24032636 CRWDIKCXBSROTA-FQEVSTJZSA-N 388.496 4.749 0 40 GJAB Cc1cccn2c(NC(=O)CCc3ccc4c(c3)OCO4)c(-c3ccccc3)nc12 24699603 BRMPWYAZEWRJFX-UHFFFAOYSA-N 399.450 4.610 0 40 GJAB CC(=O)Nc1cccc(-n2c(SCc3ccccc3C)nnc2C2CC2)c1 26139908 NZRNKMRYDDFZSW-UHFFFAOYSA-N 378.501 4.704 0 40 GJAB COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 28579247 HRBOMENBMNJMBJ-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB CSc1ccccc1NC(=O)CCSCc1nc2ccccc2nc1C 32778719 IMOFUZZUAVDNIB-UHFFFAOYSA-N 383.542 4.922 0 40 GJAB CCc1ccc(NC(=O)c2sc3ncn(C4CCCC4)c(=O)c3c2C)cc1 35672184 STHRLVALMDFOAA-UHFFFAOYSA-N 381.501 4.696 0 40 GJAB Cc1cccc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)c1 39749177 CJFFPPUMAMFWJX-UHFFFAOYSA-N 387.321 4.608 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2c(C)oc3ccc(OC)cc23)cc1 41156409 QOCJODFFNWOFTF-UHFFFAOYSA-N 381.428 4.959 0 40 GJAB C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1CCC[C@@H]1c1ccsc1 48286139 DOHSKNGACPBCAY-RHSMWYFYSA-N 385.558 4.542 0 40 GJAB CCOC(=O)C(=O)N1c2ccc(C)cc2[C@@](C)(c2ccc(C)cc2)CC1(C)C 59428088 CXEMPPWVRRDWMH-XMMPIXPASA-N 379.500 4.688 0 40 GJAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)cc1C 67299161 NTGZVVALKRROBB-BZZOAKBMSA-N 388.423 4.511 0 40 GJAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)cc1Cl 89929738 SBHSZCFQSJWHBB-COXVUDFISA-N 386.879 4.690 0 40 GJAB COC1CCN(c2ccc(NC(=O)CCc3ccc(SC)cc3)cc2)CC1 96104480 RTKHWUWVZJHQHJ-UHFFFAOYSA-N 384.545 4.595 0 40 GJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)S1 222628187 MIPCOLXPXWDSPF-VMDGZTHMSA-N 395.919 4.510 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 222956726 JYLYZHMMAJFOQV-FGZHOGPDSA-N 390.556 4.953 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc2ccccc2c1 223623485 FSFDYAOORVBQQW-QFIPXVFZSA-N 377.484 4.809 0 40 GJAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1cccc(C(F)(F)F)c1 224283038 HURNLVUYDMVKNZ-UHFFFAOYSA-N 377.297 4.679 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 224740140 SJZYUPWSAZKGHT-UHFFFAOYSA-N 397.496 4.692 0 40 GJAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccnc1-c1cccs1 225761628 TYBVTDBLAKXYPK-UHFFFAOYSA-N 376.403 4.688 0 40 GJAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C(F)(F)F 225769086 ATCGZNVRYMQHCH-UHFFFAOYSA-N 393.405 4.791 0 40 GJAB O=C(O)CCc1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226342133 VQYBODOLYBJAOT-UHFFFAOYSA-N 387.632 4.838 0 40 GJAB COC(=O)c1ccc(C)c2c1[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 248340241 UMNWMOJSCNBEMB-YAATUWORSA-N 391.467 4.776 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260814750 NBYZTEJFSXBZJX-XXBNENTESA-N 390.568 4.864 0 40 GJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2)cc1 408677672 QLDVUESXEUDZMM-UHFFFAOYSA-N 384.435 4.826 0 40 GJAB O=C(O)Cc1sc(=Nc2cccc(C(F)(F)F)c2)[nH]c1-c1cccs1 408878516 ACUZFLDLDMEQHT-UHFFFAOYSA-N 384.404 4.683 0 40 GJAB CC(C)(C)NC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408979183 PPSYMLFLHIOBLY-UHFFFAOYSA-N 398.470 4.674 0 40 GJAB COc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(OC)c1C 409132379 XOQDNPJPLBASAP-XMHGGMMESA-N 397.496 4.681 0 40 GJAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1CCc1ccccc1 409200453 IIQPCAFFZRMEGB-FOWTUZBSSA-N 388.286 4.728 0 40 GJAB CC[C@@H](N[C@@H](c1nc(C(C)C)no1)C1CCOCC1)c1ccc(F)cc1F 509069245 PLRCLBCMNRFAJQ-QZTJIDSGSA-N 379.451 4.680 0 40 GJAB CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3ccccc3)CC2)c2ccccc21 585103524 HDTZGNFQDPZEDO-UHFFFAOYSA-N 392.499 4.616 0 40 GJAB O=C(C[C@H](c1ccsc1)n1cccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 1565520040 LRZYCZWFSHHFHS-WOJBJXKFSA-N 390.512 4.769 0 40 GJAB Cc1ccccc1NC(=O)[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 1410397 IRSMNUBGVQEENB-XMMPIXPASA-N 397.478 4.515 0 40 GJAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4ccc(Cl)cc4)c(=O)c23)C1 1784981 MOIMTCOQTWOHBG-CYBMUJFWSA-N 387.936 4.706 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCCC2 2081364 OJPOMHMZIPDBHR-SQWLQELKSA-N 375.534 4.959 0 40 GJAB CCNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1ccccc1OC 2722385 QZCTUGYKCKPNLW-UHFFFAOYSA-N 395.572 4.732 0 40 GJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CNc1ccc3c(c1)oc1ccccc13)C2=O 3196676 RNKMIWQDRWSWCD-GAJHUEQPSA-N 376.456 4.767 0 40 GJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccc(Cl)s1 3238102 NWQPGESGIZAHTE-UHFFFAOYSA-N 385.872 4.868 0 40 GJAB CC(C)N(C(=O)CSc1nnc(Nc2ccccc2)s1)c1ccccc1 3625050 CLKKJSXBSFHVLL-UHFFFAOYSA-N 384.530 4.815 0 40 GJAB COc1ccc2ccccc2c1/C=C1\NC(=O)N(c2cccc(Cl)c2)C1=O 3659057 OCRMNHSQJFOPHM-PDGQHHTCSA-N 378.815 4.599 0 40 GJAB COc1cc(C(=O)n2cnc3ccccc32)ccc1OCc1ccc(Cl)cc1 4577814 RLSKNABIUYXCQN-UHFFFAOYSA-N 392.842 4.966 0 40 GJAB COCn1ccnc1[C@](O)(c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 4631799 IDNFQOVTGDILQV-JOCHJYFZSA-N 384.907 4.722 0 40 GJAB CCCCNC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 4657265 ICYLCXDVQSAJRH-UHFFFAOYSA-N 387.427 4.544 0 40 GJAB N=c1sc(C(c2ccccc2)c2ccccc2)nn1CC(=O)c1cccs1 4672544 TYBXUIXJEDWGBF-UHFFFAOYSA-N 391.521 4.549 0 40 GJAB O=C1C2=C(CCCC2)[C@@H](c2c[nH]c3ccccc23)N1Cc1ccc2c(c1)OCO2 4778866 KWEHFUQPBCDEOV-QHCPKHFHSA-N 386.451 4.851 0 40 GJAB CCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccoc1C 4860492 VADYYCZQQNMOBC-UHFFFAOYSA-N 384.505 4.604 0 40 GJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 5508186 KCEIBFNFVLUNHS-UHFFFAOYSA-N 397.430 4.747 0 40 GJAB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 6462942 PZOFUYODGCGTEA-SECBINFHSA-N 399.419 4.936 0 40 GJAB CCOc1ccc(C2=Nc3ccccc3C(c3ccc(OCC)cc3)=NN2)cc1 6600858 BLVQCYRVWVULHK-UHFFFAOYSA-N 385.467 4.918 0 40 GJAB CCc1cccc(C)c1NC(=O)COC(=O)c1oc2ccccc2c1CSC 7974111 KWFGVUUOWPTKLF-UHFFFAOYSA-N 397.496 4.962 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 8062731 MSVNPNIBHPYKQP-UHFFFAOYSA-N 397.906 4.616 0 40 GJAB O=C(CN1CCc2ccccc21)N1N=C(c2cccs2)C[C@@H]1c1cccs1 8189318 JHOJLDIZTNMJSQ-GOSISDBHSA-N 393.537 4.550 0 40 GJAB CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(Cl)s1 8428458 OPQDEGQDOUANPW-UHFFFAOYSA-N 398.915 4.703 0 40 GJAB COc1ccc(CCNCc2ccc(OCc3ccccc3)c(OC)c2)cc1 8474382 KFNNBAOTKWPTDY-UHFFFAOYSA-N 377.484 4.615 0 40 GJAB Cc1nc(-c2ccc(NC(=O)CSc3ncnc4sccc34)cc2)cs1 8855547 FCVCANAUIHHQBA-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB O=C(NCc1ccccc1CN1CCCCC1)c1cc(Cl)sc1Cl 8936774 XXXSZSCZRHMTSJ-UHFFFAOYSA-N 383.344 4.971 0 40 GJAB CCC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@H]1c1ccc(OC)c(OC)c1 9614640 WPAGCKRIEPJHHV-NRFANRHFSA-N 391.471 4.540 0 40 GJAB Cc1ccc2c(c1)sc1ncc(NC(=O)c3ccc(C(C)(C)C)cc3)c(=O)n12 9615201 PBQDRBWKNBLCNK-UHFFFAOYSA-N 391.496 4.767 0 40 GJAB CC(C)c1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1ccco1)C3 10156987 LPZNROQTAWSXHW-CQSZACIVSA-N 390.418 4.560 0 40 GJAB Cc1cc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2cnn(C(C)C)c2n1 10964498 BBJYLTUANLBIOK-UHFFFAOYSA-N 391.302 4.900 0 40 GJAB C[C@H](CN[C@H](Cc1ccsc1)c1nccs1)Cc1ccc2c(c1)OCO2 12220802 MIJLLFWNPXKPLQ-WMLDXEAASA-N 386.542 4.686 0 40 GJAB CC(C)c1cc(C(=O)NCc2ccccc2)nn1-c1nc2ccccc2s1 12223584 UKTRYQNMLKKBEY-UHFFFAOYSA-N 376.485 4.535 0 40 GJAB CCc1ccc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)cc1 12627372 KIBAXRGQKZUCPU-JOCHJYFZSA-N 383.495 4.850 0 40 GJAB CCn1c(SCCOC(C)C)nc2scc(-c3cccs3)c2c1=O 12813694 DLJPCJRHIGRBJK-UHFFFAOYSA-N 380.560 4.724 0 40 GJAB CCc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1 12884945 QIHAYQGANPTGIE-UHFFFAOYSA-N 391.500 4.950 0 40 GJAB COc1cc(CN(C)C(=O)Cc2ccc3ccccc3c2)ccc1OC(F)F 12988198 WAORKEXPRIHVJY-UHFFFAOYSA-N 385.410 4.651 0 40 GJAB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1 13004091 WPNLCFDBIGUMCS-UHFFFAOYSA-N 379.481 4.593 0 40 GJAB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2c3c(ccc12)OCN(C1CC1)C3 13691629 SITBSLPUYUSKON-UHFFFAOYSA-N 387.357 4.793 0 40 GJAB O=C([C@@H](Sc1nnc(-c2cccs2)o1)c1ccccc1)N1CCCCC1 14139700 WFAZDPFGUYHUII-INIZCTEOSA-N 385.514 4.644 0 40 GJAB CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1 14202316 DASWTQVRBOCRNP-UHFFFAOYSA-N 381.472 4.633 0 40 GJAB Cc1cc(C)cc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 16899417 LYDXPUAHZCHVFJ-MRXNPFEDSA-N 394.418 4.764 0 40 GJAB COCc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2cccc(F)c12 17296073 HUXBDDQQXYFOPY-UHFFFAOYSA-N 382.460 4.641 0 40 GJAB Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)C3CCCCC3)cc2)on1 19123816 RLTYBPXMSMNLOD-UHFFFAOYSA-N 390.487 4.612 0 40 GJAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)Cc3cccc(C)c3)CC2)C1 19234930 OAPYZLYGOVXMPX-UHFFFAOYSA-N 392.543 4.549 0 40 GJAB Cc1nc2sccn2c1-c1nnc(SCc2c(F)cccc2Cl)n1C 23141472 RSJOTSHHAKCYIX-UHFFFAOYSA-N 393.900 4.585 0 40 GJAB CCCc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)[nH]n1 26035026 ZFIYEFRRRGIYEW-UHFFFAOYSA-N 388.924 4.645 0 40 GJAB C[C@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1cccc2ccccc12 26246735 ZMKNBHCKSPZYMO-UWJYYQICSA-N 375.468 4.889 0 40 GJAB Cc1cccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)n1 27655181 MCOGKZNMQCDUEB-UHFFFAOYSA-N 375.259 4.502 0 40 GJAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 30757714 JFKCMIXOLAVDFA-INIZCTEOSA-N 382.504 4.744 0 40 GJAB C[C@H](CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)c1ccc(OC(C)(C)C)cc1 36040028 RJOJJTDMJJLFBO-XLIONFOSSA-N 395.499 4.948 0 40 GJAB O=C(NCc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832776 MCRZYBZCQSGTFA-KRWDZBQOSA-N 377.315 4.522 0 40 GJAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 41077005 SXHFYKNHBBGHSY-UHFFFAOYSA-N 389.377 4.601 0 40 GJAB CCCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)s1 48299589 DIFQFTLBQXMOID-QGZVFWFLSA-N 388.533 4.789 0 40 GJAB CCN(Cc1ccccc1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 57563256 KRARIKFUPIXUTP-UHFFFAOYSA-N 375.497 4.674 0 40 GJAB O=c1c(CN(Cc2ccccc2)C[C@@H]2CCCO2)coc2ccc(Cl)cc12 57810966 WTNXYIIUCVCFFU-IBGZPJMESA-N 383.875 4.628 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)Cc3ccc(CC(C)C)cc3)co2)cc1 58172199 ADLJDPLZSUINNT-UHFFFAOYSA-N 376.500 4.750 0 40 GJAB Cc1cc(NC(=O)c2ccc(Cl)cc2)cc(C)c1I 59294278 HCSLDTPSGZHQQE-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB CC(C)C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 70144715 DXIRBWHAXMLKLQ-ZDUSSCGKSA-N 388.352 4.576 0 40 GJAB Cc1nc(C(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)co1 72350468 ONUNRLGSPLNQAU-QGZVFWFLSA-N 395.890 4.642 0 40 GJAB Cc1c(F)cccc1-c1ccc(CNc2cccc(CN3CCC(O)CC3)c2)o1 78823111 DCKTWQPATPTVLU-UHFFFAOYSA-N 394.490 4.963 0 40 GJAB Cc1cc(C)n(-c2ccc([C@H](C)Nc3ncnc4cc(F)c(F)cc34)cc2)n1 79106168 ATPQSAKLRPTWPJ-AWEZNQCLSA-N 379.414 4.884 0 40 GJAB Cc1nc(NC(=O)/C=C/c2nc3ccccc3o2)sc1Cc1ccc(F)cc1 84064461 RTDQQVREIRWWSO-ZHACJKMWSA-N 393.443 4.975 0 40 GJAB O=C(Cc1cc(F)c(F)cc1F)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96232727 OXQIJHPFWFVBTJ-QGZVFWFLSA-N 392.808 4.975 0 40 GJAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](O)c1cc(-c3ccccc3)ccc1O2 96341534 WRTVXMCPXSRHEH-FQEVSTJZSA-N 395.499 4.939 0 40 GJAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]21 100263190 RHKPIYXWINNWJU-DPDCMNJDSA-N 381.781 4.617 0 40 GJAB C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)c1cccnc1Sc1ccccc1Cl 101985353 KROFXLDECNWIHM-LERTYJLISA-N 398.919 4.728 0 40 GJAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 103718897 LHLHHPDFCWNWTC-LLVKDONJSA-N 397.689 4.947 0 40 GJAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)[S@](=O)Cc1ccc(C(F)(F)F)cc1 108467136 ICBDWIUAARFIPJ-FTJNGKRUSA-N 389.826 4.635 0 40 GJAB Cc1cc(OCC(=O)N[C@H](C)CCc2ccccc2)cc(C)c1Br 218838556 RRLKQYNLCQBMAM-MRXNPFEDSA-N 390.321 4.582 0 40 GJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc(Br)cc1 222580755 YOMBNHSVFHNLMC-UHFFFAOYSA-N 386.224 4.606 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 223035284 YSOQYUHXJIJKFI-SFHVURJKSA-N 397.500 4.572 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC 223898226 FNRBILDLUSQLRI-KRWDZBQOSA-N 387.351 4.817 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225112141 QWQBAKNGPAIIPR-INIZCTEOSA-N 390.892 4.532 0 40 GJAB Cc1cc(NC(=S)NCCSc2ccccc2)ccc1Br 225284463 UALNXMAFFCMZEL-UHFFFAOYSA-N 381.364 4.836 0 40 GJAB COc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc(OC)c1OC 226343538 XNTKDQHMQGFNHN-UHFFFAOYSA-N 397.656 4.672 0 40 GJAB COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@@H](C2)[C@H]1[C@@H](C)CC(=O)C3 253504565 HLKCYOOWMVLNED-AJUULYEXSA-N 391.511 4.601 0 40 GJAB biogenic,in-vitro C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)S1 260756101 DEJLYBVMSFNIQA-JSNMRZPZSA-N 378.476 4.601 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCN2c3ccccc3C[C@H]2C)c1 260770968 VRTGKSAWLCRDLE-UXHICEINSA-N 394.559 4.843 0 40 GJAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccccc1OC 408561922 LPWHOACHKFSOIV-FCQUAONHSA-N 380.513 4.911 0 40 GJAB CC(C)C(=O)NC(=S)NCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 408620320 IFTPACSQFLTHCI-UHFFFAOYSA-N 395.528 4.765 0 40 GJAB COc1cc(/C=C2/N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)ccc1O 408839464 SRYXFTOAADJGKU-MDWZMJQESA-N 399.855 4.922 0 40 GJAB COCCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O 409238584 LFQNRTZZWOHZHE-XSFVSMFZSA-N 397.496 4.647 0 40 GJAB COCCCN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O 409238941 XHXRAWQYOBAJBP-GZTJUZNOSA-N 391.876 4.981 0 40 GJAB COC(=O)c1ccc(NC(=O)c2cc3c4ccccc4n(C)c3s2)cc1C 1125899415 AHNMEPLSXMBNNG-UHFFFAOYSA-N 378.453 4.740 0 40 GJAB CC(C)CN1C(=O)C2(CCN(C3CCCCC3)CC2)C[C@@H]1Cc1ccccc1 2037845745 JIYXPRDWPQSBIW-QHCPKHFHSA-N 382.592 4.901 0 40 GJAB Cc1cccc(C(=O)O)c1OCCCN(Cc1ccccc1)C(=O)OC(C)(C)C 2037963979 ONJZQWRTTLZWTB-UHFFFAOYSA-N 399.487 4.899 0 40 GJAB Cc1ccn2cc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 629941 HAPXVXIJBMTGEX-UHFFFAOYSA-N 396.244 4.918 0 40 GJAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 644548 HHUGCPCECLCZPG-OAHLLOKOSA-N 389.451 4.550 0 40 GJAB COc1ccc(O[C@H](NC(=O)C(Cl)(Cl)Cl)c2cccc(C)c2)cc1 823849 MITPJGOCBINAJM-HNNXBMFYSA-N 388.678 4.568 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 1426110 YCTOGIUPSLKFMU-UHFFFAOYSA-N 379.437 4.909 0 40 GJAB COc1ccc([C@H]2OCc3ccccc3N2C(=O)c2cccc(OC)c2)cc1 1444304 LZLDNORFLSKEBR-HSZRJFAPSA-N 375.424 4.580 0 40 GJAB biogenic CCc1c(-c2ccccc2)nc(N)nc1-c1nc(N)nc(-c2ccccc2)c1CC 1588435 ORLBPTXSMBSPNB-UHFFFAOYSA-N 396.498 4.557 0 40 GJAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](O)c2ccccc2F)cc1 2207467 MBRFXMGACHREKF-KDYSTLNUSA-N 391.423 4.836 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(CCc1ccccc1)C3=O 2390461 ZPIDBNTUENHLCJ-QHCPKHFHSA-N 395.458 4.889 0 40 GJAB CCOC(=O)c1sc2ncnc(Nc3ccc(N(CC)CC)cc3)c2c1C 2886983 WJKGQACWYALWOX-UHFFFAOYSA-N 384.505 4.766 0 40 GJAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1cccc(C(F)(F)F)c1 3231726 SVJSYXYQWNHKMQ-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB O=C(Cc1cccc2ccccc12)Nc1cc(C(F)(F)F)ccc1-n1cncn1 3565994 JJGLFFSGUHXWFJ-UHFFFAOYSA-N 396.372 4.621 0 40 GJAB CC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 4280303 RMZFHHPIKNZYIN-QFIPXVFZSA-N 396.450 4.830 0 40 GJAB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccncc1 4704713 PVQBHOUYVVSZML-CPNJWEJPSA-N 375.453 4.730 0 40 GJAB COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccccc2)cc1 4811319 QDFYVWRFPZHCGO-ISKFKSNPSA-N 386.451 4.946 0 40 GJAB Cc1ccc2cccc(OC(=O)c3ccc(Cn4nnc5ccccc54)cc3)c2n1 6967150 OFNPWOFCLIMVHM-UHFFFAOYSA-N 394.434 4.555 0 40 GJAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 7078476 VXVGHYOBRJSQKW-SLDJAQPHSA-N 392.480 4.972 0 40 GJAB Oc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)c1 7570794 QXPFBEUXAKNZHZ-PZJWPPBQSA-N 377.831 4.683 0 40 GJAB CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccs1 8013290 NDTVGXGRBRLBLE-LPHOPBHVSA-N 385.533 4.506 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CN3CCC[C@@H]3c3cccs3)c2)cs1 8073292 YXKGMKPRBAUVIT-GOSISDBHSA-N 383.542 4.956 0 40 GJAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(Cl)c2c(c1)OCO2 8135125 RMASXKPQJLCSGI-UHFFFAOYSA-N 397.843 4.697 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1Br 8391513 VWYZLHHEOHUTQL-NSHDSACASA-N 375.291 4.892 0 40 GJAB COc1ccc(CCNCc2ccc(OCc3ccccc3F)c(OC)c2)cc1 8474392 VEIIYHQNALJCNZ-UHFFFAOYSA-N 395.474 4.754 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)N1CCC(c2nc3ccccc3o2)CC1 8673514 WJAAVOJLDMQLJC-UHFFFAOYSA-N 384.863 4.575 0 40 GJAB O=C(CSc1ccccc1C(=O)Nc1ccccc1)NCC1CCCCC1 8850976 YVPBZWICGCZRRI-UHFFFAOYSA-N 382.529 4.728 0 40 GJAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12226197 WICJNUFKRQRTFD-UHFFFAOYSA-N 376.378 4.625 0 40 GJAB CCOc1c(Br)cc(Cl)cc1NC(=O)Cc1cccc(F)c1 12910862 QADYCUHHTKWMJO-UHFFFAOYSA-N 386.648 4.822 0 40 GJAB O=C(CCSCc1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1F 12986958 WIQGIWFATUQRMI-UHFFFAOYSA-N 391.855 4.791 0 40 GJAB C[C@H](NC(=O)CCSCc1ccccc1Br)c1ccccc1 13017547 ABOQBPVRFGCIJL-AWEZNQCLSA-N 378.335 4.950 0 40 GJAB CCCCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1 13634681 SYKJUTGNBTXVMF-NRFANRHFSA-N 391.471 4.677 0 40 GJAB CCc1ccccc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1 14076213 JIBOKCBARPRYOG-UHFFFAOYSA-N 389.377 4.889 0 40 GJAB O=C(Nc1ccnn1C1CCCC1)c1ccccc1OCc1ccc(F)cc1 14112126 TXWKCVZEXZXTIJ-UHFFFAOYSA-N 379.435 4.969 0 40 GJAB COP(=O)(OC)c1nc(-c2ccccc2)oc1NCc1ccccc1Cl 16750832 NPRDBMCDZJSPAB-UHFFFAOYSA-N 392.779 4.718 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)ccc1Cl 20458419 HUBLVBXNKLVYFT-IBGZPJMESA-N 389.879 4.930 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 20482877 RZYZMUVGKBBZHG-KRWDZBQOSA-N 375.852 4.540 0 40 GJAB O=c1c2scc(-c3ccc(Cl)cc3)c2ncn1CCOc1ccccc1 23126803 ZCISDXGAVFXWGZ-UHFFFAOYSA-N 382.872 4.857 0 40 GJAB COc1ccccc1-c1noc(CSc2nc(Cc3ccccc3)c(C)[nH]2)n1 23220808 SCQZUABSKPBVDF-UHFFFAOYSA-N 392.484 4.660 0 40 GJAB COc1ccc([C@H]2CN[C@]3(CC(=O)CC(C)(C)C3)c3[nH]c4ccccc4c32)cc1 25538877 GRPYXJAAELENBN-NLFFAJNJSA-N 388.511 4.886 0 40 GJAB O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1cccc2ccccc12 25946749 CDCQJLXPVJDJGZ-UHFFFAOYSA-N 386.495 4.763 0 40 GJAB CCc1ccc(C2=Nn3c(nnc3-c3ccc(Br)cc3)SC2)cc1 27028863 AUXZVIMFDUYVDQ-UHFFFAOYSA-N 399.317 4.628 0 40 GJAB COc1ccc(CN(C(=O)c2ccc(Br)cc2)c2ccccn2)cc1 27744963 SSIUNNMMLOSKNX-UHFFFAOYSA-N 397.272 4.700 0 40 GJAB Cc1cnc2c(S(=O)(=O)Oc3ccc(Cl)c4cccnc34)cccc2c1 29339685 GXPZYLQSYFTXPY-UHFFFAOYSA-N 384.844 4.513 0 40 GJAB COc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 29903674 PJHGPUBQEFGBFI-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB O=C(Cn1ccc2ccc(Cl)cc21)N1CCC(c2noc3ccccc23)CC1 32646444 HUIWWDSQETVYAK-UHFFFAOYSA-N 393.874 4.842 0 40 GJAB COC(=O)c1ccc(/C=C\C(=O)c2ccc(Cl)cc2)n1-c1ccc(F)cc1 33376759 CRGRELMKOBHLGR-QBFSEMIESA-N 383.806 4.953 0 40 GJAB Cc1oc2ncn(C3CCCC3)c(=O)c2c1C(=O)Nc1cccc2ccccc12 35681803 SSCREKMMYLAKJV-UHFFFAOYSA-N 387.439 4.819 0 40 GJAB COc1ccc([C@@H]2CCCN2C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)cc1 36437588 WOFJVSWVXNJSSG-BUVFEPMLSA-N 389.923 4.624 0 40 GJAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=S)N1CCCC1 36646125 FPIKPINILQMOKL-UHFFFAOYSA-N 378.494 4.524 0 40 GJAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cc(C)cc(C)c1 41076940 ACZICFKLCGUIRW-UHFFFAOYSA-N 377.488 4.816 0 40 GJAB COc1ccccc1-c1cc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)no1 47529236 QBINCHDNKAWISN-UHFFFAOYSA-N 377.400 4.867 0 40 GJAB O=C(NCCSC1CCCC1)Nc1ccc(C(=O)N2CCCCCC2)cc1 48099202 ZJOIEVYIKWNDGL-UHFFFAOYSA-N 389.565 4.500 0 40 GJAB CNC(=O)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1Cl 55904274 KCPRUEKLTLTXQV-UHFFFAOYSA-N 396.899 4.779 0 40 GJAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(OCc2ccccc2)nc1 72212059 XAWNZPQFHMVIEC-UHFFFAOYSA-N 384.476 4.538 0 40 GJAB O=S(=O)(Nc1c(F)cccc1Br)c1cc(Cl)cc(Cl)c1 79054835 WMZPVHOSKFFJKE-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccc(C)cc3nc2C)c(OC[C@H]2CCCO2)c1 84210017 PEARKMXVFDPERB-LJQANCHMSA-N 390.483 4.970 0 40 GJAB Cc1nc(-c2ccccc2F)sc1CNC(=O)NCc1ccc(Cl)cc1 90592992 BGEOGMVBQYRMKD-UHFFFAOYSA-N 389.883 4.910 0 40 GJAB CC(C)Oc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)cc1 96119048 QZLNKPICVWQFQF-INIZCTEOSA-N 397.500 4.605 0 40 GJAB C/C=C/C=C\C(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2)cc1OCC 96991110 RPYIMQUFIHZQFD-DBBRDBGQSA-N 394.471 4.807 0 40 GJAB C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 197267872 LEEGZWHHBIEOSI-NTYUQYKDSA-N 378.255 4.655 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 222989327 YEDHGTFNXCSRTR-QFIPXVFZSA-N 394.515 4.726 0 40 GJAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 225303841 NSDAQPGDEBCKMM-UHFFFAOYSA-N 392.886 4.841 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 225505876 JHIXMKPVMVVIKS-NRFANRHFSA-N 390.508 4.858 0 40 GJAB COC(=O)c1cccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)c1C 225858874 ZGYWDKNMNMMYGH-UHFFFAOYSA-N 398.528 4.546 0 40 GJAB C[C@H](CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 248145642 DZGPRMSLAPSDCD-LSWJPFSZSA-N 393.575 4.801 0 40 GJAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1ccc(F)cc1 257260191 LBSHQBWPRZXGKN-CTYIDZIISA-N 385.464 4.641 0 40 GJAB CCOc1ccc(NCc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 409114929 FCDZRZUNKSYCCK-UHFFFAOYSA-N 397.496 4.774 0 40 GJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nc2cc(C(=O)O)ccc2n1CC 575065327 GFTWOWBYLPHDAB-CTNGQTDRSA-N 391.515 4.913 0 40 GJAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H](CCO)c1ccc(Cl)cc1 1628889377 MEEHIGUTQNSHLX-ZWKOTPCHSA-N 390.911 4.678 0 40 GJAB Cc1[nH]nc(NC(=O)[C@H](C)c2cn(C)c3ccccc23)c1-c1ccc(F)cc1 1647794694 OQOJTDWSIVBWQR-CYBMUJFWSA-N 376.435 4.758 0 40 GJAB O=C(Nc1ccc(F)cc1)c1cc(Br)c(Br)s1 646304 BMSFBEBOYAKMAY-UHFFFAOYSA-N 379.048 4.665 0 40 GJAB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)c(C)c1 888474 ZHZYTNSZHOXVRP-UHFFFAOYSA-N 383.542 4.918 0 40 GJAB Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)N3CCC(C)CC3)c2c1 906287 VWVYUUBVNFKESE-UHFFFAOYSA-N 391.540 4.956 0 40 GJAB O=C(NCc1ccc(-n2cccn2)cc1)/C(=C\c1ccccc1)c1ccccc1 1012097 AMOMVIMGXDCNPD-MOHJPFBDSA-N 379.463 4.729 0 40 GJAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cccc(Cl)c1 1364579 LPFBUMHNIFUXNP-UHFFFAOYSA-N 398.919 4.588 0 40 GJAB CCCCN(CCCC)CCCn1cnc2c([nH]c3ccc(Cl)cc32)c1=O 2348027 MUDGRDZJVAQPPP-UHFFFAOYSA-N 388.943 4.824 0 40 GJAB COc1ccc(CNc2nc(-c3cccc(OC)c3)cc(C(F)(F)F)n2)cc1 2458854 CGGMFTIKTYMBDW-UHFFFAOYSA-N 389.377 4.792 0 40 GJAB O=C(Nc1cc(F)ccc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2582939 PHESMLXNPOVJQL-UHFFFAOYSA-N 377.371 4.885 0 40 GJAB Cc1sc2nc(S[C@@H]3CCCCC3=O)n(Cc3ccccc3)c(=O)c2c1C 2642640 IUHZHDCKTRSODO-QGZVFWFLSA-N 398.553 4.727 0 40 GJAB COc1ccccc1C(=O)N[C@@H](Nc1cccc(C)c1)C(Cl)(Cl)Cl 3015013 VWGKWTGORZUVIE-MRXNPFEDSA-N 387.694 4.542 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)cc1 4492337 MTKRLKZNYNKCSZ-MRXNPFEDSA-N 393.512 4.631 0 40 GJAB CCN(C(=O)CSc1nnc2scc(-c3ccccc3)n12)c1ccccc1 4967187 GBPQMCBIZODLBX-UHFFFAOYSA-N 394.525 4.603 0 40 GJAB CC(C)(O)/C(=C/C(F)(F)F)SCCS/C(=C\C(F)(F)F)C(C)(C)O 5292441 FAUKBFTZDZYVFM-XOHWUJONSA-N 398.434 4.887 0 40 GJAB CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 5384659 CUNQQRQDWVRXOD-JLHYYAGUSA-N 382.529 4.891 0 40 GJAB Cc1ccc2[nH]c3nc(SCC(=O)Nc4cccc(Cl)c4C)nnc3c2c1 5519384 GCOGYIPROGQEMU-UHFFFAOYSA-N 397.891 4.507 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2cccc(F)c2)cc1OC 5560128 FJKJRHWRBWRICY-UHFFFAOYSA-N 382.229 4.638 0 40 GJAB C[C@@H]1c2cc3c(cc2CCN1C(=O)c1ccc(Cl)cc1Cl)OCCCO3 6669685 VYABLCBWXKSCRG-GFCCVEGCSA-N 392.282 4.914 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1SCc1ccccc1F 8036617 GICGMZFVNDYTSR-UHFFFAOYSA-N 395.455 4.777 0 40 GJAB CCOc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCc1cccs1 8710870 NXERRECHGNNOKS-HXUWFJFHSA-N 380.469 4.580 0 40 GJAB COc1ccccc1[C@H](CC(=O)N(C)[C@H]1CCOC(C)(C)C1)c1ccccc1 8991295 ZDYLSNYRCQNAFN-PZJWPPBQSA-N 381.516 4.633 0 40 GJAB COCCCNC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 8992229 JUULXTICFMQSCD-UHFFFAOYSA-N 391.496 4.520 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(O)c(OCc2ccc(F)cc2)cn1 12169005 GDBFUFMNPFZNNR-UHFFFAOYSA-N 390.773 4.550 0 40 GJAB C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1 12540613 HIXLSIOBMOBCPU-KRWDZBQOSA-N 387.508 4.995 0 40 GJAB Cc1nc2cc(NC(=O)C[C@H]3OC(=O)c4ccccc43)ccc2n1-c1ccccc1 12596090 IVCDMFOTNBLHFC-JOCHJYFZSA-N 397.434 4.574 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1N1CCCC1=O 12782276 HMIMSFRDANIKRG-UHFFFAOYSA-N 382.769 4.738 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccs1 12788407 DAILOFLGDLHZIJ-UHFFFAOYSA-N 392.937 4.719 0 40 GJAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1c(F)cccc1F 14581972 DWDJJFZPJSWOEN-UHFFFAOYSA-N 381.404 4.500 0 40 GJAB Clc1ccccc1COc1ccc(CNCc2ccc3c(c2)OCO3)cc1 16449889 VRWNWPVJKJCYRS-UHFFFAOYSA-N 381.859 4.938 0 40 GJAB Cc1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3C)nc3ccccc32)cc1 16903814 AHUCBOHARIHBSU-NRFANRHFSA-N 386.495 4.684 0 40 GJAB CC(C)Oc1ccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)cc1 17077026 PZPZHRJENCYBKE-UHFFFAOYSA-N 376.485 4.773 0 40 GJAB Cc1ccc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)C[C@H]2C)cc1 17077175 IMGBZANQLKPDAY-OAHLLOKOSA-N 377.410 4.756 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1 18943530 SNCXKMZYPAZIHB-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@@H]4C[C@@H]4C)C3)noc2n1 19463163 ZRGAOEZCXMXCAC-YNEHKIRRSA-N 395.425 4.727 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ncccc4o3)c2)cc1 19945474 NPHDNCRPXJZXEN-UHFFFAOYSA-N 389.411 4.635 0 40 GJAB CCOc1cc(CNCCN(CC)CC)ccc1OCc1ccc(Cl)cc1 22075369 APPXTZDBQQVBIK-UHFFFAOYSA-N 390.955 4.749 0 40 GJAB Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)c(C)n1[C@H](C)c1ccccc1 24482078 CMVTXQWJVOGSTK-HXUWFJFHSA-N 387.527 4.677 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2SC)nnc1-c1cccc(C)c1 25318712 QVZGVNOARCPHOD-UHFFFAOYSA-N 398.557 4.726 0 40 GJAB CCOc1ccc(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)cc1OC 28286727 KIKLMZOOVXHWQI-UHFFFAOYSA-N 389.864 4.518 0 40 GJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1sc(C)nc1C 28540153 YQHXINFKEXLKPK-UHFFFAOYSA-N 386.498 4.917 0 40 GJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)/C=C/c1ccc2c(c1)OCO2 30317210 GBOPTADUYAVKAN-GXWOQWCDSA-N 378.255 4.955 0 40 GJAB O=C(Oc1ccc(/C=C2\SC(=S)N=C2O)cc1)c1ccc(Cl)cc1 33055291 HCCXIFGPEYFABP-ZROIWOOFSA-N 375.858 4.888 0 40 GJAB Cc1cc2cc(NC(=O)Cn3c(C)cc(-c4csc(C)n4)c3C)ccc2[nH]1 40087321 LZARTTXOJRVFPG-UHFFFAOYSA-N 378.501 4.965 0 40 GJAB COc1cccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc23)c1 49005391 ZSANDFKADQOMSB-OAHLLOKOSA-N 390.487 4.563 0 40 GJAB O=C(c1cccnc1SC1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1 54835755 KVUWDUJNWHEWNZ-OAQYLSRUSA-N 396.556 4.702 0 40 GJAB O=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1cc2ccccc2[nH]1 56979322 VBAJIZIFEUUMBO-UHFFFAOYSA-N 379.803 4.919 0 40 GJAB CC[C@H](C)[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 58007481 GIPLZWLSEWDFTQ-DLBZAZTESA-N 394.544 4.577 0 40 GJAB Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 58316067 YWDWRIIQYKWAKQ-HNNXBMFYSA-N 395.931 4.759 0 40 GJAB O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccc(C(F)(F)F)c1 60062860 RMHIIAIEHNBBJQ-MRXNPFEDSA-N 375.350 4.686 0 40 GJAB COc1ccc(N(C)C(=O)CCN2c3ccccc3Sc3ccccc32)cn1 65551442 FAIISQVCAQCESB-UHFFFAOYSA-N 391.496 4.746 0 40 GJAB Cc1ccc(NC(=O)N2CCO[C@H]3CCCC[C@@H]32)c(OCc2ccccc2)c1 69388272 PEVUZZDIPHXTAZ-SFTDATJTSA-N 380.488 4.749 0 40 GJAB Cc1noc(-c2ccccc2C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 78876946 MBLQLJQQTSIUPP-JTQLQIEISA-N 376.243 4.843 0 40 GJAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(CSc2ccccn2)CC1 90608061 XWWGLDUXZHYOOJ-UHFFFAOYSA-N 396.434 4.625 0 40 GJAB COc1ccc(-c2nc(-c3cnccn3)sc2-c2ccc(OC)cc2)cc1 95364770 XSLNASYPJRVSAZ-UHFFFAOYSA-N 375.453 4.951 0 40 GJAB CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)[C@@H]1O 195992766 QXDBLBAREDKEQW-GOSISDBHSA-N 376.283 4.863 0 40 GJAB COc1ccc([C@H]2CCCCN(C(=O)c3ccc(Br)cc3)C2)cc1 208003282 JOMOYCNFCKSGQJ-KRWDZBQOSA-N 388.305 4.868 0 40 GJAB CCCOc1ccccc1CCCNC(=O)CSCc1ccc(F)cc1 219261690 UOGMWERKLXBTBE-UHFFFAOYSA-N 375.509 4.597 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccccc1C(C)(C)C 223714866 YLWNKFZYKUMKLW-FQEVSTJZSA-N 383.532 4.954 0 40 GJAB CCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224937295 ZUJLUSUROTXGLQ-HNNXBMFYSA-N 394.471 4.944 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OC(C)C)cc1 225000638 FGAOURWXZQQZBA-HSZRJFAPSA-N 381.516 4.826 0 40 GJAB CC[C@H](CNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)Cc1ccccc1 225633428 CMRSRCVHOMELQK-SFHVURJKSA-N 395.572 4.677 0 40 GJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225826841 QHTKSTUFLNKXKQ-NRFANRHFSA-N 379.497 4.576 0 40 GJAB CC[C@@H](C)NC(=O)C1(Cc2cccc(-c3ccc(OC)cc3)c2)CCOCC1 257197942 OCDVSLHTPSECBX-GOSISDBHSA-N 381.516 4.616 0 40 GJAB CCc1ccccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 408620458 IZQVRMWUBIGGDC-UHFFFAOYSA-N 390.508 4.955 0 40 GJAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1 408624167 BIYIEDBFKRETQT-UHFFFAOYSA-N 381.482 4.786 0 40 GJAB CCCCN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O 409132026 OFALWASDANLTFS-AUWJEWJLSA-N 379.279 4.767 0 40 GJAB CCCOC(=O)c1cc(NC(=O)CSc2ccc(F)cc2)ccc1Cl 409177643 HHQLMKVRTMEHGV-UHFFFAOYSA-N 381.856 4.777 0 40 GJAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)N1CC[C@@H]1Cc1ccccc1 503286048 RQROISNVPHPOQK-GOSISDBHSA-N 381.476 4.722 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 553038094 RJOXLEGNHCCZBK-SDVOOXDOSA-N 397.518 4.974 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](Oc2ccncc2Cl)C1 575612053 IQFPAMIFBAHZHN-AWEZNQCLSA-N 399.800 4.829 0 40 GJAB COc1cc(-c2nc(O)c3c(n2)S[C@H]2CCCCC[C@H]32)ccc1OC(F)F 1505840485 WWLTUTOICKGHLC-FZMZJTMJSA-N 394.443 4.981 0 40 GJAB CCOc1ccc(-c2c[n+](-c3ccc(OC)cc3)c3n2-c2ccccc2CC3)cc1 622951 DSYYLHSDLHGAKK-UHFFFAOYSA-N 397.498 4.927 0 40 GJAB CN(C)c1ccc([P@](=O)(OCc2ccccc2)[C@H](O)c2ccccc2F)cc1 724038 LODQNKQWPYWQSD-DWACAAAGSA-N 399.402 4.703 0 40 GJAB COc1ccc(OC)c(C(=O)CCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 877713 UJWZKGQMVMIHLW-UHFFFAOYSA-N 382.243 4.612 0 40 GJAB CC[C@@H](Sc1nncn1C)C(=O)N1c2ccccc2Sc2ccccc21 1024548 XXBARXMDOUMCFO-OAHLLOKOSA-N 382.514 4.515 0 40 GJAB Cc1cc(C)c2c(n1)nn1c(N3CCC(Cc4ccccc4)CC3)cc(C)nc21 2236937 UYAIAMLGXWPDIV-UHFFFAOYSA-N 385.515 4.662 0 40 GJAB COCCNc1nc(-c2cc(C)n(Cc3ccccc3Cl)c2C)cs1 3314175 MHUORWYHMLPSPX-UHFFFAOYSA-N 375.925 4.988 0 40 GJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1Cc1ccccc1 4033502 HGEIHTWJZIFYQN-FQEVSTJZSA-N 399.469 4.740 0 40 GJAB O[C@]12CCCC[C@H]1[C@H](c1ccc3c(c1)OCO3)N(C/C=C/c1ccccc1)CC2 4064379 RDZKUDPALZMKLW-JSNZRONSSA-N 391.511 4.797 0 40 GJAB biogenic COc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc12 4273236 HGTCLMGEAXALAM-UHFFFAOYSA-N 381.501 4.813 0 40 GJAB Cc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816594 UJKPDXJMGINFQU-NHCUHLMSSA-N 392.478 4.839 0 40 GJAB CCc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCC(C)CC2)c1 4872785 TUZCNMUIPGUMKY-HCPAQRILSA-N 392.543 4.741 0 40 GJAB C[C@@H](CO)Nc1nc(SCc2ccccc2)nc2sc3c(c12)CCCC3 5100854 VOAUSQRYIWVKSO-ZDUSSCGKSA-N 385.558 4.655 0 40 GJAB CC[C@H](C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1ccccc1 5240097 CLXDGQQINUBAFQ-NRFANRHFSA-N 397.478 4.826 0 40 GJAB Clc1ccccc1-c1nn2c(-c3cc(-c4ccccc4)n[nH]3)nnc2s1 5459375 QRMAKESLBIVBAU-UHFFFAOYSA-N 378.848 4.563 0 40 GJAB COC(=O)c1ccc(-c2c(NCc3ccccc3)oc3cc(C)oc(=O)c23)cc1 6661728 DMHINIUSWKBNHH-UHFFFAOYSA-N 389.407 4.760 0 40 GJAB CCn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1ccco1 8157219 QCZMIWLINNUUTC-UHFFFAOYSA-N 391.880 4.665 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)C2CCCCC2)C1 8623979 KGZZIQUKHXUTJU-FGZHOGPDSA-N 377.532 4.657 0 40 GJAB biogenic,in-vitro COc1ccc2[nH]c(SCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2c1 9096224 YXTOEUHUDZHTOH-QIIPPGSGSA-N 376.522 4.668 0 40 GJAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1c(F)cccc1F 9160546 VEAXENMWQVRDMO-UHFFFAOYSA-N 382.741 4.763 0 40 GJAB COC(=O)c1ccc(CSCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 9882801 NUAONASVDLXMGA-INIZCTEOSA-N 393.508 4.737 0 40 GJAB O=C(COc1ccccc1F)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120148 IGGOOUXOMZAWRY-UHFFFAOYSA-N 376.387 4.575 0 40 GJAB c1cncc(-c2noc(CCCSc3nc(C4CC4)nc4ccccc34)n2)c1 10885822 NUPUZMGBYKYGEE-UHFFFAOYSA-N 389.484 4.677 0 40 GJAB COc1cc(OC)c(NC(=O)CCCc2nc3ccccc3s2)cc1Cl 11601622 PXBVNGFLPVJADF-UHFFFAOYSA-N 390.892 4.928 0 40 GJAB CC(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)C(C)(C)C)cc2)n1 12220511 VSMOHCOWNZVYPK-UHFFFAOYSA-N 388.515 4.991 0 40 GJAB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1cccs1 12342085 IHPLWXMZHMPDQM-UHFFFAOYSA-N 395.871 4.720 0 40 GJAB CC(C)Cn1c(SCc2cn3cc(Cl)ccc3n2)nc2ccccc2c1=O 12623988 NKNGYWVQHXIVLV-UHFFFAOYSA-N 398.919 4.646 0 40 GJAB Cc1ccc(OCc2nc(C(=O)Nc3ccccc3OC(F)F)cs2)cc1 12777127 GLSNTWDKWMAYPV-UHFFFAOYSA-N 390.411 4.884 0 40 GJAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3Cl)o2)cc1 12796974 ZLJUCTBAKCPELI-UHFFFAOYSA-N 382.847 4.619 0 40 GJAB COc1ccc(-c2cc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1OC 12868283 YZJPULHWTVMBEO-UHFFFAOYSA-N 386.835 4.502 0 40 GJAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccccc1Cl 13039987 YFRYPLDDOSQKGG-CQSZACIVSA-N 385.920 4.768 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1 13056893 IYHKWKXYNYXLAP-OAHLLOKOSA-N 385.529 4.614 0 40 GJAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccncc2)cc1C 13711939 DWFBCWKKZXFOIV-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB COc1cc(NC(=O)c2ccccc2COc2ccccc2)cc(OC)c1OC 14200323 IYKYVJLTKIOFRR-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)c1 15354489 QEKTXIPEPFXQTK-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCN(C(=O)[C@@H]1CC=CCC1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 19712036 DJMKNQWDMXCRPK-AKIFATBCSA-N 391.515 4.569 0 40 GJAB CCCOC(=O)c1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1 19809865 JVQFTBQWTSTVRF-UHFFFAOYSA-N 383.831 4.835 0 40 GJAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC 20049953 RMFFXEUCJAUKBX-RMKNXTFCSA-N 380.271 4.682 0 40 GJAB CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nn12 20609734 GMKDGQIYISXUIO-UHFFFAOYSA-N 397.891 4.711 0 40 GJAB O=C(Cn1ccc2cc(Br)ccc21)Nc1cccc2ncccc12 20734220 FVPKQMPAOYGUGL-UHFFFAOYSA-N 380.245 4.591 0 40 GJAB COc1cccc(OCc2ccc(C(=O)N[C@H]3CCCc4ccccc43)o2)c1 28225352 VWQMOISIELYWFP-NRFANRHFSA-N 377.440 4.675 0 40 GJAB O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)Nc1ccc(F)cc1F 28305154 MADCGEMENRTEGD-UHFFFAOYSA-N 396.319 4.872 0 40 GJAB CCOc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 28579249 CLWMZASBDWOUCW-UHFFFAOYSA-N 385.460 4.620 0 40 GJAB Cc1cc(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)no1 30034426 OPYLYBRFNSWEBD-UHFFFAOYSA-N 390.226 4.794 0 40 GJAB Cc1ccc(CCC(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cc1Cl 33173975 ZXOKSVDRAXSAOV-UHFFFAOYSA-N 379.287 4.575 0 40 GJAB Cc1ccccc1-n1c([C@H](C)NC(=O)OC(C)(C)C)nc2cccc(C)c2c1=O 35299372 NHSYCDCZYMKHPX-INIZCTEOSA-N 393.487 4.588 0 40 GJAB Cc1sc(NC(=O)C(C)(C)C)c(C(=O)NCc2ccc(Cl)cc2)c1C 40007575 FZEDYHKGYWFDJK-UHFFFAOYSA-N 378.925 4.933 0 40 GJAB O=C(NCc1ccccc1Cn1ccnc1)Nc1cc(Cl)cc(Cl)c1 40024074 ZFFLOOICLYDWML-UHFFFAOYSA-N 375.259 4.560 0 40 GJAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1 44947837 MIKMYMPAKQJVKZ-LJQANCHMSA-N 399.915 4.695 0 40 GJAB CCN(Cc1ccccc1)[C@@H](c1ccc(Cl)cc1)c1nnnn1C(C)(C)C 57613821 LLZBBUSYDDCIHI-IBGZPJMESA-N 383.927 4.693 0 40 GJAB CCOc1ccc(-c2csc(Cc3nc(-c4ccccc4OC)no3)n2)cc1 67246053 DJMBWZPGTAENLO-UHFFFAOYSA-N 393.468 4.858 0 40 GJAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(Cl)c(Cl)c1 69526215 CJEWSHYZRGFPOY-UHFFFAOYSA-N 389.238 4.769 0 40 GJAB CSCC[C@@H](C)N(C)CCCc1nc(-c2cccc(C(F)(F)F)c2)no1 72290439 CPANTDLUAIMDRA-CYBMUJFWSA-N 387.471 4.761 0 40 GJAB COc1ccc(NC(=O)N(C[C@@H](O)c2ccccc2)CC(C)(C)C)c(Cl)c1 72313628 JNGTYKQBFFGVCT-LJQANCHMSA-N 390.911 4.962 0 40 GJAB O=C(Nc1nnc([C@@H]2CCCO2)s1)c1ccc(-c2ccccc2Cl)o1 72403049 RJKMVJATODURCD-AWEZNQCLSA-N 375.837 4.555 0 40 GJAB O=C(NCCc1ccccc1)NCc1cc(-c2cccs2)n(C2CCCC2)n1 90607089 NZQLFCGXHAZSOK-UHFFFAOYSA-N 394.544 4.769 0 40 GJAB CC(=O)Nc1ccc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)cc1 95477834 LMXXLZOBRZVSKK-GOSISDBHSA-N 395.890 4.913 0 40 GJAB CCOc1ccc(-c2csc(NC(=O)c3cccc(C4OCCO4)c3)n2)cc1 95978332 CGFOVYSOCQZJIA-UHFFFAOYSA-N 396.468 4.507 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 222712124 VGGGSLXMIQMKDB-CVEARBPZSA-N 379.456 4.502 0 40 GJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(OC)c(OC)c1 222857019 ZVVBZISQKLUQTJ-RDTXWAMCSA-N 391.895 4.700 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)c(C)c1 223027724 XIZGVPASGLFWKZ-LJQANCHMSA-N 389.879 4.930 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCOc2ccc3ccccc3c2)ccc1Cl 223639484 VAMVPULQSPYKQK-MRXNPFEDSA-N 383.875 4.764 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(N2CCCCC2)cc1 223698606 XVSRISGNWDUING-UHFFFAOYSA-N 380.532 4.783 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 223852608 LEECMHDQDTYMCQ-VQTJNVASSA-N 392.528 4.521 0 40 GJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 224193453 VWIFFWSYGCUEQQ-NHCUHLMSSA-N 376.529 4.950 0 40 GJAB C[C@@H]1[C@@H](n2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)CCC[C@H]1C 253568251 KZAQLJAAZKBOPK-SIFCLUCFSA-N 390.462 4.848 0 40 GJAB Cc1cc(N2CCC[C@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)nc(C)n1 257230645 GDFLREQPMYYLHV-SFHVURJKSA-N 394.469 4.741 0 40 GJAB O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccc(F)c(Cl)c1 390826123 CIAPZOXCKCKBTR-HNNXBMFYSA-N 387.910 4.670 0 40 GJAB CC(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 408628001 PGAGBHJBHXYPCV-UHFFFAOYSA-N 380.256 4.635 0 40 GJAB Cc1nc2ccc(NC(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)cc2o1 641964717 GITWDZDQRPUMQP-UHFFFAOYSA-N 397.232 4.541 0 40 GJAB CCOc1ccc2nc3sc(C(=O)N[C@@H]4CCCC[C@@H]4C)c(N)c3cc2c1 917111 JEEWVPPOYKDLKL-BLLLJJGKSA-N 383.517 4.739 0 40 GJAB CC(C)=CCSc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 2336043 NBGRTIDDPLSJIL-INIZCTEOSA-N 389.521 4.936 0 40 GJAB Cc1cccc(C(=O)Nc2nc(-c3cc(C)n(C[C@@H]4CCCO4)c3C)cs2)c1 2726433 MUQHMVBFIUYYIE-SFHVURJKSA-N 395.528 4.968 0 40 GJAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(C)s1 3235988 ZSLLVRYCMPZTOB-UHFFFAOYSA-N 375.446 4.963 0 40 GJAB CSc1nc2ccc(N[C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)cc2s1 3292475 GLMMXZUWYORVKS-NSHDSACASA-N 385.514 4.660 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc2ccccc21 3348105 ZXXDGEAXVFPROQ-UHFFFAOYSA-N 395.406 4.686 0 40 GJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 3445124 XSYQNCCMPJIIMD-RISCZKNCSA-N 397.566 4.589 0 40 GJAB Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1I 3559394 CCULNIXJXUHBMS-UHFFFAOYSA-N 389.595 4.644 0 40 GJAB C[C@]12C(=O)N(c3cccc4ccccc34)C(=O)N1CCc1c2[nH]c2ccccc12 4073822 UOMVDGKSDDEYDI-DEOSSOPVSA-N 381.435 4.561 0 40 GJAB biogenic O=C1CC2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)Oc2ccccc21 4505522 QCPNDNPIRFIFHG-UHFFFAOYSA-N 390.266 4.634 0 40 GJAB COc1ccc(Cc2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)cc1 4690853 MWJUISLAJZFJRO-UHFFFAOYSA-N 394.283 4.697 0 40 GJAB Cc1ccccc1-c1nnc(SCC(=O)c2ccc(Br)cc2)o1 4740818 AKVDHZCYQSTVMQ-UHFFFAOYSA-N 389.274 4.783 0 40 GJAB Cc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@@H]2c2ccccc2)cc1 4815004 CHFJRHLYPSIIJZ-DHIUTWEWSA-N 394.478 4.968 0 40 GJAB Cc1nn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)c(C)c1Br 4881424 YWDQXFMCQGHFIE-UHFFFAOYSA-N 397.198 4.727 0 40 GJAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccccc4)c(C)s3)C(=O)[C@@H]21 4903309 ONPLRFHNPZGXQL-MVJTYMMSSA-N 378.497 4.600 0 40 GJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccc(C)cc1 4936987 CUZVCGBXFWFDTO-UHFFFAOYSA-N 397.474 4.988 0 40 GJAB CN(C)CC(C)(C)CNc1c2c(nc3cc(-c4ccc(Cl)cc4)nn13)CCC2 4980239 ILHYTUKXAGZKPL-UHFFFAOYSA-N 397.954 4.538 0 40 GJAB c1ccc(-c2nn3c(CSc4nc5ccccc5s4)nnc3s2)cc1 5776013 AIYVMOBVOQLGBJ-UHFFFAOYSA-N 381.511 4.755 0 40 GJAB CCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(OCC)cc3)nc2c1 6240658 ONEDJMDIJTUJCQ-UHFFFAOYSA-N 397.500 4.897 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2cccc(C(F)(F)F)c2)o1 6509359 KHMBFIVCQVDFGL-UHFFFAOYSA-N 389.329 4.624 0 40 GJAB O=C(Nc1ccc(Oc2ncnc3sc4c(c23)CCC4)cc1)c1ccco1 6510807 QFXIVDADNUHTCA-UHFFFAOYSA-N 377.425 4.818 0 40 GJAB NC(=O)N[C@H](CC(=O)Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1 6582776 RJYOOXQOBZSYJJ-HXUWFJFHSA-N 393.874 4.745 0 40 GJAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1 6629892 IYPCKIQVVAKUPW-UHFFFAOYSA-N 391.540 4.808 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 6657345 ZJDFSRBAHHRNPB-OQLLNIDSSA-N 391.832 4.745 0 40 GJAB COc1cc(OC)cc(-c2nnc(SCCOc3cc(C)ccc3C)o2)c1 6785762 XQDHXDKISKZSNM-UHFFFAOYSA-N 386.473 4.542 0 40 GJAB COc1ccc(C(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)cc1 6809637 KDKOWGKWJZFYMD-UHFFFAOYSA-N 378.405 4.749 0 40 GJAB CCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 8033316 IXQHKMLJYMJCDF-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB Cc1cccc(NC(=O)Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)c1 8209468 MGLMDZMPADVLSQ-UHFFFAOYSA-N 393.512 4.894 0 40 GJAB CCOc1ccc(-c2nc(-c3cc4c5c(c3)CC(=O)N5CCC4)cs2)cc1 8297201 ZYEQGQAQRQCRLT-UHFFFAOYSA-N 376.481 4.711 0 40 GJAB CCOc1ccc(-c2nn3c(CSc4ccccc4)nnc3s2)cc1OC 8393295 PHHOZCDOWSTRMK-UHFFFAOYSA-N 398.513 4.552 0 40 GJAB Cc1nc(Nc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)nc2c(C)cccc12 9350967 VBCHYIJFTINFQM-QGZVFWFLSA-N 395.466 4.693 0 40 GJAB Cc1nc2cc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)ccc2o1 9549899 MMTVYAUBZCYMMK-UHFFFAOYSA-N 377.425 4.702 0 40 GJAB CCCn1c(C)cc(-c2csc(NC(=O)c3n[nH]c4ccccc34)n2)c1C 10944069 GOAYLPBRFHCTNL-UHFFFAOYSA-N 379.489 4.767 0 40 GJAB COc1ccc2nc(NC(=O)CCc3ncc(-c4ccc(C)cc4)o3)sc2c1 11806965 XWABBWKXPYEZKO-UHFFFAOYSA-N 393.468 4.840 0 40 GJAB O=C(NC1CCCCC1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12088960 MQEBQPPZNCGIDN-UHFFFAOYSA-N 378.516 4.537 0 40 GJAB Cc1ccc(-c2nc(NCc3ccccc3F)ncc2-c2cc(C)no2)cn1 12154376 AFOJZUPZUDHBFJ-UHFFFAOYSA-N 375.407 4.562 0 40 GJAB COc1ccc(-c2ccc3c(N)c(C(=O)NC4CCCCC4)sc3n2)cc1 12250914 BAFHXYSJCLSIHC-UHFFFAOYSA-N 381.501 4.617 0 40 GJAB CSc1ccccc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 12563495 ILPKQFUBLIDRLV-UHFFFAOYSA-N 395.553 4.842 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 12579026 AYTZQXAKANHZEL-HXUWFJFHSA-N 377.488 4.737 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 12803467 LINBQHAUQBZVNK-KRWDZBQOSA-N 397.569 4.747 0 40 GJAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1 12824064 FSECITYUVDCIJD-GFCCVEGCSA-N 383.391 4.833 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1ccc(OC(F)(F)F)cc1)O[C@@H](C)C2 12974574 VQHWNRIDMJDUBM-NSHDSACASA-N 381.350 4.560 0 40 GJAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)N[C@@H](Cc1ccccc1)c1ccccc1 14237025 BNQTTXZKRYADEE-VWNXMTODSA-N 398.506 4.678 0 40 GJAB COc1cccc(COC(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2C)c1 14676100 CMTCXYSNFYKWGC-OUKQBFOZSA-N 390.483 4.622 0 40 GJAB CCOCc1c(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)oc2ccccc12 16054114 CLEHPFLANFJSKA-UHFFFAOYSA-N 377.396 4.636 0 40 GJAB Cc1ccccc1NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20241788 FUQHIFVBOJSAHH-UHFFFAOYSA-N 399.538 4.565 0 40 GJAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1Cl 21807471 JOFXOOPMBKIROG-FQEVSTJZSA-N 397.906 4.808 0 40 GJAB COc1ccc(NC(=O)/C=C/c2cc3cccc(OC)c3o2)cc1OC(F)F 22762805 WLIMJAFKQSPCQK-VQHVLOKHSA-N 389.354 4.703 0 40 GJAB O=C(Nc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1)c1ccccc1 23055419 IFCZJAHTAIJPKQ-SJLPKXTDSA-N 390.405 4.790 0 40 GJAB CCN(CC(=O)Nc1cc(Cl)ccc1C)c1ncnc2c1oc1ccccc12 23709164 DRUAHZLLPHJJDO-UHFFFAOYSA-N 394.862 4.803 0 40 GJAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3cccs3)oc2c1C 27989355 OKKJRYXXXDRAIQ-UHFFFAOYSA-N 393.464 4.907 0 40 GJAB Cc1nc(C)c2c(C)c(C(=O)N[C@@H]3CCSc4c(F)cccc43)sc2n1 28044771 WSYAFQWJGJOJON-CQSZACIVSA-N 387.505 4.723 0 40 GJAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 31200720 ZBHAGAIYCVCGIT-CXUHLZMHSA-N 390.527 4.548 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32610602 XKTUSBZHUZXNCY-UHFFFAOYSA-N 378.234 4.559 0 40 GJAB COc1cc2c(cc1/C=C/C(=O)Nc1ccccc1OC(F)(F)F)O[C@H](C)C2 36791132 OXJRGMJDDNHXCS-ABZNLYFFSA-N 393.361 4.569 0 40 GJAB CNc1nnc(Sc2nc(C)nc3scc(-c4cccs4)c23)s1 40023363 OQQXMRHPFLXXBB-UHFFFAOYSA-N 377.545 4.773 0 40 GJAB COc1cc2ccccc2cc1C(=O)NCc1ccc(CN2CCCCC2)cc1 44875365 GLFUPPJHOHWWRK-UHFFFAOYSA-N 388.511 4.764 0 40 GJAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CCCC3)cc1C 45933040 YQZPCVMTTZJNDT-UHFFFAOYSA-N 380.488 4.985 0 40 GJAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccc(F)c(F)c1 67296303 QPSLPTHTVDOVNW-DAFNUICNSA-N 377.350 4.591 0 40 GJAB Cc1cccc2c1C(=O)N[C@@H](c1csc(COc3ccc(Cl)cc3)n1)N2 70037764 RQUVIDXRFPYJIL-SFHVURJKSA-N 385.876 4.538 0 40 GJAB CCN(c1cccc(C)c1)S(=O)(=O)c1cc(C)c(Br)cc1C 72414368 OHXKUCNFWOCLIW-UHFFFAOYSA-N 382.323 4.590 0 40 GJAB O=C(c1cc2ccccc2o1)N1CCC(c2nnc(-c3ccco3)s2)CC1 77177546 QHQOYCHBTPMDBI-UHFFFAOYSA-N 379.441 4.564 0 40 GJAB COCc1c(C(=O)Nc2ccc(-c3ccccn3)cn2)sc2cccc(F)c12 95977614 WEOAHFWXMLEGPK-UHFFFAOYSA-N 393.443 4.896 0 40 GJAB CC(C)NC(=O)[C@]12CC[C@@](C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C 100641881 OXCXQTMZFZLXBR-PMACEKPBSA-N 392.330 4.790 0 40 GJAB CCOc1ccccc1NC(=O)NCc1ccc(C(=O)c2ccsc2)s1 211085319 RQNVCEVYTDKIQZ-UHFFFAOYSA-N 386.498 4.761 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(OC(C)C)cc1 222996359 IZYJKKQGMFHJMV-QHCPKHFHSA-N 383.532 4.997 0 40 GJAB Cc1ccc(OCCNC(=O)CSCc2cccc3ccccc23)c(C)c1 224954267 XGQASEAHVVUBJP-UHFFFAOYSA-N 379.525 4.885 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)CSCc3ccccc3Cl)ccc21 225076106 BFVCWNXTFJYLHL-UHFFFAOYSA-N 392.933 4.608 0 40 GJAB Cc1ccc(-c2noc(CNC(=O)CCc3ccc(Cl)cc3Cl)n2)cc1 225380490 SRNQIKDLMAKKMP-UHFFFAOYSA-N 390.270 4.601 0 40 GJAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc2sc(N)nc12 226311853 JUIRVJJCZPVLFL-VIFPVBQESA-N 396.299 4.900 0 40 GJAB C[C@H]1CC[C@H]2[C@H](O1)c1cc(CCNC(=O)OC(C)(C)C)ccc1OC2(C)C 257203505 AQJGZJGNWLQKDZ-UCLAIMLFSA-N 375.509 4.781 0 40 GJAB O=C(c1cccc(OCc2ccccc2)c1)[C@@H](Br)CBr 382701226 OOEOOJULXVDKQQ-HNNXBMFYSA-N 398.094 4.607 0 40 GJAB CC(C)Cn1c(SCCOc2ccccc2Cl)nnc1-c1ccncc1 409095584 HYKHMXQYCXMUJD-UHFFFAOYSA-N 388.924 4.821 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 409130982 XNHAOWVGSJUTJK-RCCKNPSSSA-N 388.467 4.845 0 40 GJAB CC(C)(C)C(=O)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262956 RHDVJPKKWSXQQJ-OAHLLOKOSA-N 396.922 4.802 0 40 GJAB COc1ccc(C(=O)Oc2ccc(C(C)C)cc2)cc1I 676775 ZHDVXVNOWZBFJI-UHFFFAOYSA-N 396.224 4.642 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 908031 ZKGYGAWRKQBYMJ-UHFFFAOYSA-N 393.826 4.882 0 40 GJAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 919602 FXBKHHKGZJDQCX-CJNGLKHVSA-N 390.365 4.697 0 40 GJAB COc1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1 1104382 FUVOJNSPGQIFFS-UHFFFAOYSA-N 381.482 4.868 0 40 GJAB CCC(=O)Nc1cc(OC)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 1324290 DDWXXGIZJXFXLU-UHFFFAOYSA-N 384.476 4.602 0 40 GJAB O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)NC1CCCCC1 1342596 OSPMBWHNBZBWBB-UHFFFAOYSA-N 391.540 4.762 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCC2 2086543 XSOYSOLBHYIPJD-IRXDYDNUSA-N 383.513 4.936 0 40 GJAB COc1cc2[nH]c3c(N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)ncnc3c2cc1OC 2129387 HQGYCKJNSBGJGT-XMHCIUCPSA-N 380.492 4.533 0 40 GJAB COc1cccc(OC)c1OC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 2664983 VGNOFKBSSVUTDV-UHFFFAOYSA-N 383.469 4.592 0 40 GJAB Cc1ccc2c(c1)C1=C([C@@H](c3cccs3)N3N=CNC3=N1)[C@@H](c1ccccc1)O2 2707272 MWQROICGVSRTNC-FGZHOGPDSA-N 398.491 4.861 0 40 GJAB Cc1ccc(C(=O)NCCCn2nc(C(F)(F)F)c(Cl)c2C2CC2)cc1 2795654 WPZGUQCWJXUODM-UHFFFAOYSA-N 385.817 4.561 0 40 GJAB Cc1ccc(-c2nsc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 2917458 CXODIQSQAVGWAH-UHFFFAOYSA-N 375.906 4.898 0 40 GJAB CS(=O)(=O)c1ccc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 4089707 BCOSVJLPSCREOG-UHFFFAOYSA-N 383.416 4.899 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CCCCC2 4134791 BKGQRMLIXFYTGE-UHFFFAOYSA-N 387.501 4.845 0 40 GJAB COc1ccccc1NC(=O)CCCCCCCCCC[C@H]1COCCO1 4811606 MMTCIGDWHFNIGO-IBGZPJMESA-N 377.525 4.950 0 40 GJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1ccc(C(C)=O)cc1 4849352 OUYWOMBWLSKSIN-UHFFFAOYSA-N 394.496 4.739 0 40 GJAB Fc1ccc(-c2csc3ncnc(Sc4nnc5ccccn45)c23)cc1 4948992 PWLYUULJGPZNKQ-UHFFFAOYSA-N 379.445 4.691 0 40 GJAB Cc1sc2ncnc(NCc3cc(Cl)c4c(c3)OCCCO4)c2c1C 7469909 YFCVOEOANYBLKW-UHFFFAOYSA-N 375.881 4.735 0 40 GJAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)c1ccc2c(c1)CCCC2 7617130 FNZHXCHDTLYKOP-UHFFFAOYSA-N 390.512 4.529 0 40 GJAB COc1ccccc1NC(=O)[C@H](C)Sc1nc(C)cc(-c2ccccc2)n1 7624824 SYTJXWADKNJBIW-HNNXBMFYSA-N 379.485 4.580 0 40 GJAB O=C(CCC(=O)c1ccc(F)cc1)N[C@@H](Cc1ccccc1)c1ccccc1 7990026 TWKMDTFOHCZFQK-QFIPXVFZSA-N 375.443 4.889 0 40 GJAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1cccnc1 7990303 QXXWCKFDSNIXMD-SFHVURJKSA-N 375.859 4.778 0 40 GJAB CC(C)(C)c1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2cccs2)n1 8702066 XJJFKEVXCKKVJT-UHFFFAOYSA-N 396.907 4.799 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c1 9135088 VUZBCSKDROEJIE-UHFFFAOYSA-N 388.423 4.679 0 40 GJAB c1ccc(CCSc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 9420986 SDAFAVVXBKIXBD-UHFFFAOYSA-N 383.480 4.674 0 40 GJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1 9479236 GUDPQFQQXLGCQV-IBGZPJMESA-N 394.515 4.854 0 40 GJAB Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c(C)c1 10369271 AKIWGCDKTPYVLE-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(OCC(F)(F)F)cc1 10612065 JNGZLJKKZISUTQ-UHFFFAOYSA-N 390.361 4.854 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CSc1nc(C2CC2)nc2ccccc12 10939609 NIRONKHMAXUNFI-UHFFFAOYSA-N 399.903 4.900 0 40 GJAB COc1ccc(CC(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1OC 12746014 FMNUSYIGUGJPDL-UHFFFAOYSA-N 375.468 4.788 0 40 GJAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cc(F)ccc1F 12809121 MJJUYLBQISHMII-UHFFFAOYSA-N 394.830 4.835 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1N1CCCC1=O 12938277 FKCDHJJLVBQMQH-GFCCVEGCSA-N 393.270 4.526 0 40 GJAB Cc1ccc(C)c(Cn2c(CNC(=O)Cc3ccccc3)nc3ccccc32)c1 13030973 VBNZZYSHOJREIP-UHFFFAOYSA-N 383.495 4.560 0 40 GJAB CCc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 13946195 BGILABRHDTVSFD-UHFFFAOYSA-N 386.455 4.552 0 40 GJAB C[C@H]1CCC[C@@H](NC(=S)Nc2nn(Cc3ccccc3)cc2Cl)[C@@H]1C 17077123 MHDYQMDKCNWRDR-JJRVBVJISA-N 376.957 4.696 0 40 GJAB Cc1noc2nc(C3CCN(Cc4ccccc4F)CC3)cc(C(F)F)c12 19565068 IXOBZWSUEBGPBX-UHFFFAOYSA-N 375.394 4.988 0 40 GJAB c1ccc(Cc2ccc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)nc2)cc1 19692359 URSGYRZSJGESPJ-SANMLTNESA-N 395.506 4.794 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)c1C 20112209 OFNRSEMIZLCTSR-INIZCTEOSA-N 377.937 4.774 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccccc2C)c(Cl)c1 20494977 MRQKSBGUGYRAKJ-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB CCCOc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)cc1OC 22763384 ICXZVROMPQXHRB-HLZWWYGYSA-N 385.426 4.735 0 40 GJAB CS(=O)(=O)Nc1ccc(-c2csc(Nc3cccc(Cl)c3)n2)cc1 24958113 SUYKQGSYJBBXKS-UHFFFAOYSA-N 379.894 4.579 0 40 GJAB CCCCOc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1Cl 27823967 TZAYZDZOFCZTBQ-AWEZNQCLSA-N 379.909 4.659 0 40 GJAB CCN(CC)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 27970350 BPGRAAXTNSQBMC-UHFFFAOYSA-N 376.504 4.647 0 40 GJAB CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)c(F)c1 32801632 LTGZMQSAXUNAJU-UHFFFAOYSA-N 386.473 4.883 0 40 GJAB CN(C(=O)/C=C/c1ccc(OCc2ccccn2)cc1)[C@@H]1CCc2ccccc21 40080070 NDTSQHAALARBJM-JOPVOSQUSA-N 384.479 4.820 0 40 GJAB CCOc1ccccc1OCCCC(=O)Nc1ccc(OC)cc1C(F)(F)F 46152054 GQEGQMKNAOEZKL-UHFFFAOYSA-N 397.393 4.910 0 40 GJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(F)c(OC)c1)NC2 55028084 AGRIWUOLHCLZRR-HSZRJFAPSA-N 396.462 4.615 0 40 GJAB CN(Cc1ccccc1NC(=O)Cc1ccccc1Cl)C(=O)OC(C)(C)C 58023193 SRVPGPDPZHMMGQ-UHFFFAOYSA-N 388.895 4.888 0 40 GJAB O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccc(Br)cc2)s1 59475055 PUGRYNHVSAUXLU-IZZDOVSWSA-N 386.274 4.620 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72214354 UUQGTDPIIOIYCL-SFHVURJKSA-N 381.476 4.796 0 40 GJAB O=C(Cc1c(F)cccc1Cl)Nc1c(F)cc(Br)cc1F 78876658 WCSWEXQNLZGLED-UHFFFAOYSA-N 378.575 4.701 0 40 GJAB O=C(CCc1ccc2c(c1)CCO2)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96116184 HXTMYWNXYZGAHR-LJQANCHMSA-N 394.902 4.883 0 40 GJAB biogenic Cc1cccc(NC(=S)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c1C 100427100 JZRBXOHJGFWJHT-QZTJIDSGSA-N 387.593 4.548 0 40 GJAB O=C(Nc1ccccc1)N1C[C@@H]2[C@@H](C1)CN2CC(c1ccccc1)c1ccccc1 107249611 VGBVRAUDLWKVSQ-RCZVLFRGSA-N 397.522 4.667 0 40 GJAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 219417594 KPUBGNVIGYJUGL-UHFFFAOYSA-N 391.342 4.864 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(Cl)cc2)cc1OCC 219602955 GCSAVVLVYYXKFT-SFHVURJKSA-N 391.895 4.611 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1cccc2ccccc12 223551505 JAWONZLKXMEMBN-LJQANCHMSA-N 383.875 4.846 0 40 GJAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1Cl 224156877 WXSOHNQJSADQAM-MRXNPFEDSA-N 383.875 4.764 0 40 GJAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c(C)c1 225478714 OGLUNEUKCVPSAE-GOSISDBHSA-N 395.572 4.977 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)COc2cccc3c2CCCC3)cc1OCC 225516344 PWUMNTDDOJURBM-QGZVFWFLSA-N 397.515 4.619 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(SCC(C)C)s1 225543598 LZHBFXUWBDBXGH-HNNXBMFYSA-N 379.551 4.699 0 40 GJAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc2c(c1)CCCC2 225627845 BMESOLYBRCLSMJ-UHFFFAOYSA-N 398.506 4.790 0 40 GJAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1cc(Cl)ccc1Cl 225723007 DBFSJNUBGAJJCL-UHFFFAOYSA-N 381.646 4.600 0 40 GJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225799996 SQYJYESQONEVBQ-QVKFZJNVSA-N 379.497 4.574 0 40 GJAB COc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)c2)c1 257269075 MOLXPTYORURROM-KRWDZBQOSA-N 381.520 4.894 0 40 GJAB Cc1ccc(-c2nc(NC(=O)CSc3nc(C)cc(C)n3)sc2C)cc1 408561022 VGWQWQYNGQLXGX-UHFFFAOYSA-N 384.530 4.565 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 408706522 AUFOVYPUSLTPEN-GTPINHCMSA-N 390.955 4.804 0 40 GJAB COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)cc1O 408838074 BYKWDSRFZPHHCX-XYOKQWHBSA-N 385.828 4.613 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 409141129 GZPKIMBMXKAUPY-KRWDZBQOSA-N 384.545 4.704 0 40 GJAB COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1 409309721 LPIOFULRXJAVTA-SXGWCWSVSA-N 375.833 4.598 0 40 GJAB Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 613687123 TWRSJCVLRWGSHR-UHFFFAOYSA-N 382.851 4.781 0 40 GJAB Clc1ccc(-c2nnc([C@@H]3CCCN(c4ncnc5sccc45)C3)o2)cc1 1261426374 MKZFXYDGUDHDOC-CYBMUJFWSA-N 397.891 4.779 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 875937 JTXBDODFGUKPAC-GASCZTMLSA-N 387.549 4.916 0 40 GJAB CCOc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 881509 HTGAUXBTURCHNG-UHFFFAOYSA-N 391.496 4.724 0 40 GJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)NCc1ccccc1 1139219 ZPIJKQJRJCEDBU-BUHFOSPRSA-N 385.492 4.930 0 40 GJAB CCCCCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(C)cc1 1723531 UQJQUMCQCSOEIH-UHFFFAOYSA-N 389.517 4.557 0 40 GJAB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1)Nc1ccccc1 2079635 UJMGRULHUQGNAY-XMMPIXPASA-N 387.435 4.573 0 40 GJAB Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 2404048 RPRAWPSXIGUPCK-OAQYLSRUSA-N 382.419 4.555 0 40 GJAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1cc(F)ccc1F 3379966 LHNMHENMGLHAMU-UHFFFAOYSA-N 383.350 4.553 0 40 GJAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(F)c(F)c4)sc3n2)cc1 4251613 FRWOPYRDCWMLDJ-UHFFFAOYSA-N 399.422 4.910 0 40 GJAB CCCC[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)N(CCC)CCC)cc1 4700199 SNOWKJMPAVXTJJ-QGZVFWFLSA-N 382.570 4.652 0 40 GJAB Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21 5485001 CMZYEVWHYLKPPB-CJVCNUQRSA-N 394.474 4.772 0 40 GJAB Cc1cccc(N2C(=O)C=C(NCc3nc4ccccc4[nH]3)[C@H]2c2ccccc2)c1 5504109 MXIUSILAIBPPLE-RUZDIDTESA-N 394.478 4.633 0 40 GJAB CCc1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1 5657416 DVORNIXHVQSYJN-UHFFFAOYSA-N 387.439 4.778 0 40 GJAB O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(C(F)(F)F)cc1 6249986 FVROWEOGHMFIEG-UHFFFAOYSA-N 377.410 4.746 0 40 GJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3Br)S2)cc1 6713555 IEQQBEYVPJYLCK-MUMAZLPKSA-N 389.318 4.611 0 40 GJAB CCOCCCNCc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 8253151 BFXXXVRKEGODRY-UHFFFAOYSA-N 395.902 4.973 0 40 GJAB COc1ccc(SCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 8280566 XCVPXVYNEJTUGD-UHFFFAOYSA-N 395.509 4.802 0 40 GJAB Cc1ccccc1[C@@H](C)NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10133628 MUTFTTRQFHUCGA-MRXNPFEDSA-N 386.499 4.618 0 40 GJAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(SC(F)(F)F)cc1 10904216 QUIFBTGNHPNXMK-UHFFFAOYSA-N 394.418 4.577 0 40 GJAB CCn1nccc1C(=O)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1 11696006 MXSUPZFCYZARKY-UHFFFAOYSA-N 398.438 4.638 0 40 GJAB CC1=C(C(=O)Nc2ccccc2C)[C@H](/C(C)=C/c2ccccc2)n2ncnc2N1 12289312 AXHNDFIHVJRNGP-WMJZSHNHSA-N 385.471 4.569 0 40 GJAB CC(C)Nc1nn(CN(C)Cc2ccc(Cl)c(Cl)c2)c(=S)s1 13071941 ZPOGLINUPNCKBI-UHFFFAOYSA-N 377.366 4.891 0 40 GJAB O=C(NCCCN1CCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 13671747 IAEHGEIKUVRKEV-UHFFFAOYSA-N 388.964 4.848 0 40 GJAB CCn1ncc2c(C(=O)Nc3cc(F)ccc3F)cc(-c3ccccc3)nc21 14260715 DJUOTKLCWWFQGS-UHFFFAOYSA-N 378.382 4.649 0 40 GJAB COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2cccc(O)c2)cc1OC 15106506 JTSHXFVOZOYGMM-OAHLLOKOSA-N 381.453 4.612 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 20105274 GQDQZFMYDRXZSN-NRFANRHFSA-N 382.504 4.629 0 40 GJAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1C 20196862 WUKMJLTYWYSEHR-UHFFFAOYSA-N 387.892 4.661 0 40 GJAB Cc1ccc(CSCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 20454985 CJWCYDCFISIUDC-FQEVSTJZSA-N 396.600 4.890 0 40 GJAB O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1NCc1ccccc1 22574140 NEFMIJIUSBDNDW-UHFFFAOYSA-N 392.455 4.819 0 40 GJAB CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC(C)CC3)c(O)n2n1 22853276 WCYCEKDRRJHHHP-MRXNPFEDSA-N 390.940 4.534 0 40 GJAB Cc1cccc(Cn2cc(Br)c(NC(=O)c3cccc(C)c3)n2)c1 28229099 FIXOSHPYSXONTJ-UHFFFAOYSA-N 384.277 4.563 0 40 GJAB O=C(COc1ccccc1F)Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1 32092213 FEPWQSQBTVOLSG-UHFFFAOYSA-N 397.793 4.700 0 40 GJAB CC(C)Oc1cccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)c1 32094158 KCMKHQODAUOVIT-UHFFFAOYSA-N 389.411 4.635 0 40 GJAB Oc1nc(CN2CC=C(c3ccccc3)CC2)nc2cc(C(F)(F)F)ccc12 33438276 FGGMEMKSQNFZIB-UHFFFAOYSA-N 385.389 4.644 0 40 GJAB aggregator O=C(c1ccc(Br)cc1)N(CCc1ccncc1)c1ccccc1 35671319 MZNBXAUDCFNWEG-UHFFFAOYSA-N 381.273 4.734 0 40 GJAB C[C@@H]1Cc2cc(-c3cc(CC(=O)Nc4ccc(F)c(Cl)c4)no3)ccc2O1 38498843 OLQKJKSZGBHBRX-LLVKDONJSA-N 386.810 4.639 0 40 GJAB COc1cc([C@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)ccc1OCC(C)C 40133670 WKFOXYBZLIGRAC-HNNXBMFYSA-N 399.487 4.641 0 40 GJAB O=C(Nc1ccc(F)cc1Br)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412118 VWOWJMNIQUMOFH-UHFFFAOYSA-N 394.631 4.884 0 40 GJAB CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OCc1ccccc1)CC(O)=N2 61719106 HLBKWWBEYRZKHZ-OAHLLOKOSA-N 395.484 4.896 0 40 GJAB Cc1nc(S)sc1CC(=O)N1CC=C(c2cccc3ccccc23)CC1 63691048 OUTOYJUFZAPTLW-UHFFFAOYSA-N 380.538 4.752 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3ccccc3C(=O)c3cccs3)c2)no1 64330101 XNLBXNFOWFSNLX-UHFFFAOYSA-N 389.436 4.590 0 40 GJAB Fc1ccc(CNc2c(-c3cc4c(cc3Cl)OCO4)nc3cnccn23)cc1 72342051 NNYBFLUVFKNEMB-UHFFFAOYSA-N 396.809 4.530 0 40 GJAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 72348991 FTIJQEWRSJUVSM-NRFANRHFSA-N 386.495 4.706 0 40 GJAB COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2Cc2ccc(F)cc2)c1 72376768 YBBDRYUFUBPLKB-OAQYLSRUSA-N 392.478 4.601 0 40 GJAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2Cc2ccc3ncccc3c2)c1 72380353 LCNKBHRFTCTAFL-QHCPKHFHSA-N 384.483 4.971 0 40 GJAB Cc1cc(C)c(C)c(Cn2c([C@H](C)N3CCOCC3)nc3ccccc32)c1C 82086968 ROTPGRGKYYUNCQ-FQEVSTJZSA-N 377.532 4.711 0 40 GJAB COc1cccc(-n2c(S[C@H](C)c3ncc(C)o3)nc3ccccc3c2=O)c1 95457492 JODORYGYGZGRBM-CQSZACIVSA-N 393.468 4.544 0 40 GJAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2ccc(O)c(Cl)c2)SC1 95475042 YUOKSHGEETZYOG-INIZCTEOSA-N 391.905 4.776 0 40 GJAB O=C(Nc1ccc(Cl)cc1)c1cc2c(s1)CCN2C(=O)c1ccccc1 96146794 LRPJQYJWMHWXQI-UHFFFAOYSA-N 382.872 4.857 0 40 GJAB O=C(O[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Cl)cc1 96190117 YQBNMSSUPOHAGA-FQEVSTJZSA-N 377.827 4.785 0 40 GJAB COc1ccc(N/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)cc1 100549071 ROQJBOUYPYTZEQ-JCMHNJIXSA-N 384.435 4.644 0 40 GJAB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1)N2)c1cccs1 100998303 AXZDFUDYASGPCU-GOSISDBHSA-N 399.479 4.648 0 40 GJAB CO[C@H](C)c1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)c1 107158175 XROFCGQMCBLDGT-NPFVIJTESA-N 390.487 4.641 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OC(C)C)c(OC)c1 216279142 CJTWHLUXZVVGBG-LJQANCHMSA-N 385.504 4.573 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1 219323765 VLAOLHOJRJEEMJ-FQEVSTJZSA-N 375.896 4.645 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccco2)c1C 222865039 PLICSJKLSOUMQK-NHCUHLMSSA-N 394.544 4.524 0 40 GJAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225204061 CITOIJLVKAYWAL-AWEZNQCLSA-N 381.480 4.715 0 40 GJAB COc1ccc(NC(=S)NCc2ccc(OC(C)C)cc2)c2cccnc12 225448430 TXUOVMMCJTYLSZ-UHFFFAOYSA-N 381.501 4.517 0 40 GJAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C(C)C 225659131 VQLOFBYTINNZRO-UHFFFAOYSA-N 380.488 4.615 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCC)c(C(=O)OCC)c1 225802156 COMLBURLZYITQM-QFIPXVFZSA-N 393.524 4.966 0 40 GJAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(O)ccc5ccccc45)OCC[C@@]31C2 257231197 GFRZNAKTPLHYLP-GQABQBDCSA-N 379.500 4.564 0 40 GJAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)c1 257238885 HMYVJYFENORUTK-HDJSIYSDSA-N 387.530 4.872 0 40 GJAB CCn1c2c(s/c1=N\C(=O)C13CC4CC(CC(C4)C1)C3)CCc1ccccc1-2 408562633 RAXPXVINNPJUTQ-BZZOAKBMSA-N 392.568 4.979 0 40 GJAB Cc1cccc(C(=O)Oc2ccccc2/C=C2/N=C(c3cccc(C)c3)OC2=O)c1 408838850 JGFPJMNKWZULSB-RCCKNPSSSA-N 397.430 4.867 0 40 GJAB COc1cc(CNc2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409266664 KTXVTGDSHTVYDE-UHFFFAOYSA-N 390.483 4.942 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1cc(O)nc2ccc(F)cc12 606172527 RRXJMUDSPSONFS-QFIPXVFZSA-N 390.389 4.738 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1nc2ccccc2s1 675008245 LIPKUQMTUUWQGE-ZDUSSCGKSA-N 386.523 4.550 0 40 GJAB O=C(NCCc1ccn(-c2ccccc2)n1)c1cc(C(F)(F)F)ccc1Cl 1264892817 CHMQFBNYJKYJQX-UHFFFAOYSA-N 393.796 4.517 0 40 GJAB O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(OC(F)F)cc1 1543552869 VCQFHXDGARKGFW-UHFFFAOYSA-N 398.394 4.607 0 40 GJAB Cc1ccc(-c2cc(C(=O)O)nn2CCCOc2cc(C)c(Cl)c(C)c2)o1 2037873696 GBIQCRYPUIRFPT-UHFFFAOYSA-N 388.851 4.889 0 40 GJAB O=C1[C@H](Oc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 717747 UCYKFZZLWMXGLP-NHCUHLMSSA-N 393.826 4.604 0 40 GJAB CC(=O)c1c(-c2ccccc2)nc2n(CCN3CCCCC3)c3ccccc3n12 727373 IOGVSEFMWIWUJA-UHFFFAOYSA-N 386.499 4.645 0 40 GJAB CC[C@]1(C)Cc2c(sc3nc(SC)n(-c4ccccc4C)c(=O)c23)CO1 1295534 LTOPDBFENMAULG-HXUWFJFHSA-N 386.542 4.719 0 40 GJAB CCNc1nc(Sc2ccc(Br)cc2)cc(C(F)(F)F)n1 1396695 MVOUHUOGIGHWOA-UHFFFAOYSA-N 378.217 4.841 0 40 GJAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 3211346 HAJRYDMJBCBGJJ-UHFFFAOYSA-N 381.867 4.969 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2cccs2)nc2ccccc12 3292923 DSAJGLYFKLPVRE-UHFFFAOYSA-N 388.448 4.622 0 40 GJAB CSc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1 4000201 OKZHMPGIUSTCFE-BWSGXRDBSA-N 378.541 4.744 0 40 GJAB biogenic CNC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc(C)c1C 4570439 XIYGSJMXRRHZEA-UHFFFAOYSA-N 380.469 4.769 0 40 GJAB O=C(Nc1cccnc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 4701121 YJQPSJFCMYBGPN-UHFFFAOYSA-N 385.511 4.789 0 40 GJAB CCC(=O)Nc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2C)cc1 4703573 INLHODNZSKUGOP-UHFFFAOYSA-N 386.908 4.776 0 40 GJAB Cc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C3CC3)c3ncnn32)cc1 4732716 AHHJBNSSTGPYAZ-UXHICEINSA-N 392.890 4.717 0 40 GJAB O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1cccc2cccnc12 4783835 ZKRHPOBCSVWQKT-UHFFFAOYSA-N 381.479 4.876 0 40 GJAB CCCCc1nc2cc(NC(=O)NCC)c(C)nc2n1Cc1ccccc1Cl 4850390 KZRFLAIMYZCGOA-UHFFFAOYSA-N 399.926 4.925 0 40 GJAB CCc1nc(SCC(=O)Nc2ccccc2OC)c2oc3ccccc3c2n1 5501228 DJMKIAXEPHVVHX-UHFFFAOYSA-N 393.468 4.678 0 40 GJAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2)cc1 5518314 HTZBEBLETOOMSQ-UHFFFAOYSA-N 386.451 4.541 0 40 GJAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1C(F)(F)F 6587892 BNEFUQKHPFWCNJ-GRDNDAEWSA-N 386.410 4.866 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1Cl 6613923 RIZSJFTYSGRLOY-UHFFFAOYSA-N 387.936 4.766 0 40 GJAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc(-n2cccn2)cc1 6647688 WDFTTWSTQKEKDS-UHFFFAOYSA-N 380.879 4.768 0 40 GJAB CCCCOc1ccc2ccccc2c1/C=C(\Sc1nnc(C)o1)C(=O)O 7603746 JZWAYPGKUXGMHZ-PDGQHHTCSA-N 384.457 4.928 0 40 GJAB O=C(CSc1ccccn1)N1N=C(c2cccs2)C[C@H]1c1cccs1 7699343 DDIGCEHQQWKVPW-AWEZNQCLSA-N 385.539 4.675 0 40 GJAB Cc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c(Br)c1 7979883 DIHLZPMUSCIXOC-UHFFFAOYSA-N 396.668 4.825 0 40 GJAB O=C(COc1ccc(Cl)c2ccccc12)Nc1ccc2c(c1)OCCCO2 8039585 ZHRZKDYBVACEMK-UHFFFAOYSA-N 383.831 4.672 0 40 GJAB Cc1sc2nc(CSc3ccccc3)nc(N3CCC[C@H](O)C3)c2c1C 8132155 NQNVXOKDELEQHC-HNNXBMFYSA-N 385.558 4.562 0 40 GJAB Fc1ccc(F)c(-c2nnc3sc(-c4cccc(Br)c4)nn23)c1 9050224 SLFVFSOZXLDSAA-UHFFFAOYSA-N 393.216 4.561 0 40 GJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 10445397 PPKCJGIQMPKWBA-UHFFFAOYSA-N 384.479 4.845 0 40 GJAB Cc1nc(C)c(CC(=O)N[C@H](Cc2ccsc2)c2nc(C)c(C)s2)s1 12228398 KVOHDZWVRPHDOY-OAHLLOKOSA-N 391.587 4.537 0 40 GJAB CC[C@H]1CN=C(N(C(=O)c2cc(F)cc(F)c2)c2ccc(C(C)=O)cc2)S1 12776588 UXVCFEKEEQLULG-SFHVURJKSA-N 388.439 4.696 0 40 GJAB COc1ccc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)c(OC)c1 12780546 OYYOCOAXFMLRRN-UHFFFAOYSA-N 393.867 4.653 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)c1 13483822 MTCRQOBOCCGYAD-KRWDZBQOSA-N 393.487 4.640 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1nc2ccccc2n1C(F)F 14901848 KTRQNDUSIWHYJX-UHFFFAOYSA-N 383.354 4.752 0 40 GJAB COc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1OCc1ccc(F)cc1 15085668 CQVPPHXAPSUTAS-MRXNPFEDSA-N 383.444 4.949 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 18947432 ZZFREXFENGAESU-UHFFFAOYSA-N 382.466 4.847 0 40 GJAB O=C(CC[C@@H]1CCCO1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 19292629 SPIDCUFFHGQHFC-LBPRGKRZSA-N 385.316 4.938 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 20110837 SELTZGFOFSXRQR-NRFANRHFSA-N 398.478 4.684 0 40 GJAB Cc1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c2c1[C@@H](C)CC2=O 22322163 XQMKMLJAUACYTG-LSDHHAIUSA-N 377.440 4.687 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)c(Cl)c1 22520329 OQXNXSPYUIHOSZ-ZDUSSCGKSA-N 377.893 4.944 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3ccc(-n4ccnc4)cc3)sc2C)cc1 24050704 DCDFNXHHEPVUIX-UHFFFAOYSA-N 390.468 4.565 0 40 GJAB C[C@H](OCCCNC(=O)CCCc1nc2ccccc2s1)c1ccccc1 24838631 LYMBOEZLSWAMCT-KRWDZBQOSA-N 382.529 4.903 0 40 GJAB CC(C)c1ccc(/C=C/C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)cc1 25700687 LZYIUKVERYZKDG-NTEUORMPSA-N 377.484 4.803 0 40 GJAB CC(C)COc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1 27662807 LULLOQCPUGEYSE-UHFFFAOYSA-N 395.459 4.811 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cccc(C(F)(F)F)c1 28576993 ZZYVZLJAKJYSLV-LJQANCHMSA-N 377.406 4.668 0 40 GJAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2ccc(C(F)(F)F)cn2)c(C)c1 29584976 RDCGQWWZVCYARY-GFCCVEGCSA-N 397.422 4.546 0 40 GJAB C[C@H](NC(=O)CCC(=O)CCC(=O)c1cccs1)c1ccc(Cl)cc1 32687951 UAGIKDGRBFACCQ-ZDUSSCGKSA-N 377.893 4.591 0 40 GJAB CC(=O)Nc1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccc(C)cc1 35671538 PIBVEKJTQWMKPU-JLHYYAGUSA-N 377.469 4.729 0 40 GJAB O=C(Nc1c(F)cccc1F)C1CCN(Cc2c(F)cccc2Cl)CC1 39744708 GUKLMUKXEDVTEO-UHFFFAOYSA-N 382.813 4.608 0 40 GJAB CN(Cc1ccc(OCc2nccn2C)cc1)Cc1cccc(Cl)c1Cl 40135428 TYHOCIZSWQNIMC-UHFFFAOYSA-N 390.314 4.938 0 40 GJAB CCOc1ccc(-c2nc(N)cc(Nc3ccc(Br)cc3)n2)cc1 49468055 VHUSVLCEEIZTTJ-UHFFFAOYSA-N 385.265 4.631 0 40 GJAB Cc1noc(C(F)(F)F)c1C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 72308022 MHSSQLAKPLEIPL-ZDUSSCGKSA-N 388.389 4.952 0 40 GJAB O=C(c1ccccn1)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396369 SVWRQSVUWDDNTE-SFHVURJKSA-N 382.467 4.645 0 40 GJAB Cc1cc(NS(=O)(=O)C2=Cc3ccccc3CC2)ccc1Oc1cccnc1 84093814 CJCXHXQFQIDMNQ-UHFFFAOYSA-N 392.480 4.911 0 40 GJAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 95957257 VRBFCFUIINLEKY-PMACEKPBSA-N 387.483 4.809 0 40 GJAB Cc1cc(C)cc(C[C@@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]2C)c1 100168574 SOUKHRYZCIPMDY-KDOFPFPSSA-N 391.389 4.570 0 40 GJAB O=S(=O)(c1ccccc1)N1CC[C@]2(Cl)CCCC[C@H]2[C@@H]1c1ccccc1 102871289 OMYLBMBYGSSHCP-PCCBWWKXSA-N 389.948 4.990 0 40 GJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C[C@@]4(C)[C@@H](CC[C@@H]4C(C)(C)O)[C@@H]3CC[C@@H]2C1 118934312 JIYNJJIOOKOMSE-BUBAFCLVSA-N 390.564 4.527 0 40 GJAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1cccc2ccccc12 207965231 RLKRXGIXJHQUBS-FQEVSTJZSA-N 379.506 4.975 0 40 GJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 219325185 BRBWWSOQYYKWJX-ZWKOTPCHSA-N 391.895 4.782 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 222888635 SDERMQBAFLGRKX-QGZVFWFLSA-N 377.868 4.716 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccccc2OC)c2ccccc2O1 223587080 DIFOLXVUEOPFCW-FUHWJXTLSA-N 383.488 4.661 0 40 GJAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1 223784009 QQFNAAPYIMWVBO-UXHICEINSA-N 379.485 4.559 0 40 GJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 223836955 RLNVYCCRQDVREX-UZLBHIALSA-N 379.500 4.751 0 40 GJAB O=S(=O)(Cc1c(F)cccc1Cl)Nc1ccc2c3c(cccc13)CC2 224182512 PJRDGAVGRZUKLL-UHFFFAOYSA-N 375.852 4.673 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc(C)c(Cl)c1 224184286 CUIFWMBWDCTJII-HXUWFJFHSA-N 375.896 4.618 0 40 GJAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1cccc(C(F)(F)F)c1 224433566 CZCYXUNGPVYENH-UHFFFAOYSA-N 398.233 4.632 0 40 GJAB O=C(COc1ccc2ccccc2c1)NCc1cccc(CN2CCCCC2)c1 224696705 CXRDTLPINJHVLB-UHFFFAOYSA-N 388.511 4.521 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COCC(C)C 224738791 SRPINYHFEXCXEW-UHFFFAOYSA-N 387.476 4.527 0 40 GJAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c(C)c1 225478447 BJJXDQHLXSCQHD-QGZVFWFLSA-N 381.545 4.786 0 40 GJAB Cc1ccccc1CSCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225599524 KWQNMMVLXUGJDH-GOSISDBHSA-N 383.557 4.691 0 40 GJAB COc1ccc(-c2nnsc2C(=O)Nc2cc(Cl)ccc2Cl)cc1 225762291 HWCTZCBZZUAREN-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB O=C(Nc1cccc(Cl)c1)c1snnc1-c1ccc(Br)cc1 225783440 LIMNUDUEDGRNLY-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257259864 LAIVVZRPHVZTCX-INIZCTEOSA-N 387.892 4.661 0 40 GJAB COc1ccc(CN2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)cc1 306133063 MARXUVAKKSIHFW-JOCHJYFZSA-N 384.483 4.742 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 408543803 QTPCQPZPUBWUHM-SJLPKXTDSA-N 391.521 4.657 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 408594918 PXDKPKXPGCZDRB-UHFFFAOYSA-N 379.787 4.558 0 40 GJAB C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1c(C(=O)O)oc2ccccc12 568066356 YFCBCIIJEDRJTM-BFUOFWGJSA-N 385.847 4.746 0 40 GJAB Cc1ccc2nc(COC(=O)[C@H](CC(C)C)c3ccc(Cl)cc3)cc(=O)n2c1 1264405836 NVDKUWIXMSRRMM-LJQANCHMSA-N 398.890 4.529 0 40 GJAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1ccccc1 867612 HOQAPMWGVJHNTM-OAHLLOKOSA-N 390.468 4.647 0 40 GJAB CCOc1ccc2nc3sc(C(=O)N[C@H]4CCCC[C@H]4C)c(N)c3cc2c1 917104 JEEWVPPOYKDLKL-WBMJQRKESA-N 383.517 4.739 0 40 GJAB Cc1cccn2c(NC(=O)c3cc4ccccc4oc3=O)c(-c3ccccc3)nc12 936115 FHWRWHCZTQLCLV-UHFFFAOYSA-N 395.418 4.668 0 40 GJAB CCOC(=O)c1nnc(-c2ccccc2)nc1Oc1c(Cl)cccc1Cl 1392089 PUZVDWNHHNLEHG-UHFFFAOYSA-N 390.226 4.814 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(Cl)cc3)s2)c1 1438910 OUCKQFABCIVHJQ-UHFFFAOYSA-N 390.921 4.974 0 40 GJAB Cc1oc2cc(OC(=O)C(C)C)ccc2c(=O)c1-c1nc2ccccc2s1 1447901 BNWGTNZOSKNVTN-UHFFFAOYSA-N 379.437 4.940 0 40 GJAB biogenic CCc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(Cl)c2)cc1 1980674 UHFKZSOTISMYNP-UHFFFAOYSA-N 376.909 4.521 0 40 GJAB CCCCc1nc2sc3c(NCCN(CC)CC)ncnc3c2c2c1CCC2 2321014 ASIFVTDUWNSLCR-UHFFFAOYSA-N 397.592 4.825 0 40 GJAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@@H](c1cccs1)N1CCCC1 3261402 OBFOYEVPUNNBPG-DYVFJYSZSA-N 382.451 4.722 0 40 GJAB COc1ccc(OCCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 3272037 WXLMKWQGXVWBFE-UHFFFAOYSA-N 398.484 4.543 0 40 GJAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccccc2)cc1 3366707 UPUOPLKHUZWNGW-UHFFFAOYSA-N 394.858 4.891 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)CC2CCCCC2)c1 4585474 GKSDUGAKSWPZFB-UHFFFAOYSA-N 375.472 4.603 0 40 GJAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 4731463 CPUSLFRWOYXSJB-LJQANCHMSA-N 381.863 4.930 0 40 GJAB Cc1ccc(CN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)o1 5173082 VIJCRYWPNFYBAN-UHFFFAOYSA-N 377.469 4.774 0 40 GJAB CC(=O)c1ccc(-c2ccc(C(=O)OCc3nnc(-c4ccccc4)o3)o2)cc1 5539933 ZSSXAKZOBSFUNE-UHFFFAOYSA-N 388.379 4.556 0 40 GJAB Clc1ccc(-c2nnc(SCc3cn4cc(Cl)ccc4n3)o2)cc1 5903815 QVEPWJKAOJFFNN-UHFFFAOYSA-N 377.256 4.983 0 40 GJAB COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Br 6262699 IISIPROJNQOISQ-UHFFFAOYSA-N 392.293 4.773 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)/C=C/c3ccc(F)cc3)n2)c1 6381646 HHNILYZTARZPSI-BJMVGYQFSA-N 384.432 4.618 0 40 GJAB CNC(=O)c1c(NC(=O)Cc2coc3c(C)c(C)ccc23)sc2c1CCCC2 6809917 HEHQNECRASHNNC-UHFFFAOYSA-N 396.512 4.531 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 7649281 ARMRZELSHGVSJX-UHFFFAOYSA-N 388.467 4.658 0 40 GJAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cccc2ccccc12 7927219 TZOTWVIYDFLPEI-SFHVURJKSA-N 380.513 4.521 0 40 GJAB CCCCN(C(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O)c1ccccc1 7989623 JZSQUNXPHJHLHV-UHFFFAOYSA-N 395.890 4.641 0 40 GJAB Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 8020115 XVQZALZVUFSEIT-UHFFFAOYSA-N 395.422 4.636 0 40 GJAB C[C@@H](O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 8714181 HQWNRHYQJCLZSR-CQSZACIVSA-N 379.843 4.877 0 40 GJAB COc1ccc(-n2nc(C)c3c2NC(=O)C[C@H]3c2cccc3ccccc23)cc1 9065467 VKYYDDDCHGMQCD-NRFANRHFSA-N 383.451 4.817 0 40 GJAB COc1ccc2[nH]c(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)nc2c1 9096225 YXTOEUHUDZHTOH-DHSIGJKJSA-N 376.522 4.668 0 40 GJAB COc1cccc(C(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2cccs2)c1 9260830 KIDSQEKYTIYZFB-HXUWFJFHSA-N 392.480 4.757 0 40 GJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 10335463 AQTWVRPWAGJFNI-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1NS(=O)(=O)c1ccccc1 10371548 QSTYRQGFCVSOPC-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 10445614 SONVIQOURIZLLH-UHFFFAOYSA-N 398.506 4.768 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CNc3ccc(F)c(F)c3F)c2)cs1 11041529 QLIDZOXKYJQMRT-UHFFFAOYSA-N 377.391 4.586 0 40 GJAB C[C@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2nc3cccnc3s2)c1 11694523 OJOCLQOLDMACGR-ZDUSSCGKSA-N 393.443 4.903 0 40 GJAB Cc1oc(-c2ccc(F)cc2)nc1C(=O)N[C@@H](c1ccccc1)c1cccnc1 12148297 CBSDUMDFEBPJAV-NRFANRHFSA-N 387.414 4.704 0 40 GJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(C)cc(C)c3)c3ccccn23)cc1 12342027 BEANWFMQGKPZPZ-UHFFFAOYSA-N 397.478 4.930 0 40 GJAB CC[C@@H](Oc1ccccc1)c1nn2c(-c3ccc4ccccc4n3)nnc2s1 12390374 PWNGANWRGQUGHZ-GOSISDBHSA-N 387.468 4.931 0 40 GJAB Cc1nc(COc2ccc([C@H]3Nc4ccccc4C(=O)N3C3CC3)cc2)cs1 12544259 RMVJFEKYUIOLHY-NRFANRHFSA-N 391.496 4.759 0 40 GJAB O=C1c2ccccc2N[C@@H](c2c(Cl)cccc2Cl)N1C[C@H]1CCCO1 12563070 AHIFVVXUCUNGAP-KZULUSFZSA-N 377.271 4.739 0 40 GJAB Cc1ccccc1NC(=O)Cc1csc(SCC(=O)c2cccs2)n1 13654052 OUTVGCMGYBXBNE-UHFFFAOYSA-N 388.539 4.669 0 40 GJAB CCOc1ccc(CNC(=S)Nc2ccc(C)c(Cl)c2)cc1OCC 13754904 CZCJJKKRSVRJEW-UHFFFAOYSA-N 378.925 4.932 0 40 GJAB CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1OC 13896980 BLQMSLDAZVGCOG-UHFFFAOYSA-N 398.503 4.965 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccnn1Cc1c(Cl)cccc1Cl 14196862 DLDGWYIUKKUCKV-UHFFFAOYSA-N 399.281 4.901 0 40 GJAB Cc1nn(-c2ccc(Br)cc2)c2oc(=O)cc(-c3ccccc3)c12 16266176 LBNKOHMYHPZOCQ-UHFFFAOYSA-N 381.229 4.717 0 40 GJAB COc1ccccc1-c1nn(-c2ccccc2)cc1CN[C@H](C)c1cccnc1 17318674 MGXUGVNLZHMVDN-GOSISDBHSA-N 384.483 4.794 0 40 GJAB CCOc1cc(CN[C@H](Cc2ccsc2)c2ccc(C)cn2)ccc1OC 19532147 AZNATTVLZZTYHD-HXUWFJFHSA-N 382.529 4.932 0 40 GJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1cccs1 20910503 NPCFNMGXLRPSIS-UHFFFAOYSA-N 389.480 4.539 0 40 GJAB COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@@H]3C)c3ccccc3n2)c1 27976773 CYPLTKQEVRFOGM-INIZCTEOSA-N 390.483 4.934 0 40 GJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc2c(c1)OCCCO2 31335783 JXCNCRZCXYTCHN-GFCCVEGCSA-N 380.271 4.988 0 40 GJAB COCCNC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1 32907776 XAUZILAWQBZIEQ-LTGZKZEYSA-N 393.508 4.630 0 40 GJAB Cc1nc(-c2cccc(NC(=O)Cc3csc(-n4cccc4)n3)c2)cs1 36708382 GILIMVMQFMEDFF-UHFFFAOYSA-N 380.498 4.547 0 40 GJAB Cc1ccc(/C2=N/C(=C(Cl)Cl)n3c(nc4ccccc43)CCCN2)cc1 41097543 MZCGUJRCJVXDBM-UHFFFAOYSA-N 385.298 4.889 0 40 GJAB O=C(CCc1ccccc1O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 42759938 FXAXQBPOIMDNQY-UHFFFAOYSA-N 384.863 4.526 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 45643102 HMWTYDMUEJCYJH-GOSISDBHSA-N 394.515 4.760 0 40 GJAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(-c2ccccc2Cl)on1 47442574 NXWZPXQDECLNFN-OAQYLSRUSA-N 389.842 4.909 0 40 GJAB O=C(O)/C(=C/c1ccc(N2CCCCCC2)o1)Sc1nc2ccccc2[nH]1 50548056 RTEOXMBSIJJAQC-LGMDPLHJSA-N 383.473 4.754 0 40 GJAB O=C(Nc1cc(-c2cc(Br)ccc2Cl)n[nH]1)c1ccccc1F 58232212 AIKZMMBXMSWVKJ-UHFFFAOYSA-N 394.631 4.884 0 40 GJAB CC(=O)c1cccc(NC(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)c1 67257413 XKUHZIUYVMRZRE-UHFFFAOYSA-N 395.459 4.525 0 40 GJAB CCOc1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 67288221 MIZIPUTVHBWTDX-UHFFFAOYSA-N 393.462 4.621 0 40 GJAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4)nccn3n2)cc1C 67289856 LKOUWDBIHJVRSO-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB Cc1nc(C(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)co1 72350469 NLBKRUVIUHXZCO-UHFFFAOYSA-N 395.890 4.642 0 40 GJAB Oc1cccc([C@H]2CN(c3ncnc4scc(-c5ccccc5)c34)CCO2)c1 84564669 YFELADCSATVQNZ-LJQANCHMSA-N 389.480 4.642 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)C1CCN(c2ccc(Cl)cn2)CC1 84689088 BASNASACFHDNLR-AYOQOUSVSA-N 377.960 4.528 0 40 GJAB O=C(Nc1ccc(F)cc1)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1 96038088 NHVKBLQIZZQJLK-UHFFFAOYSA-N 397.413 4.578 0 40 GJAB CCc1ccccc1NC(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 100424565 WTKBULSCTIMOOH-FGZHOGPDSA-N 377.532 4.956 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2)c1 102122098 ZGEZPJPZEVUSOB-BZNRXQDOSA-N 375.468 4.739 0 40 GJAB COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C(=O)/C2=C/Nc1ccc(C)cc1 102978021 BBODGWUCNJJOGJ-HZHRSRAPSA-N 398.462 4.952 0 40 GJAB CO[C@@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1Cl 206852169 UXGJYMZFMXOOLQ-KRWDZBQOSA-N 385.813 4.795 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3Br)N21 222643829 NSAOKROHPKZKOQ-CSMYWGQOSA-N 388.334 4.824 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 222931341 RMGXHVGADZRGJS-NHCUHLMSSA-N 394.519 4.640 0 40 GJAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223350239 NNRKVTGCMJRXFY-JOCHJYFZSA-N 380.532 4.719 0 40 GJAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 224384079 GPQCBVYQCBBDIN-RTWAWAEBSA-N 376.529 4.721 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 225173303 HNSOMPGJGFDYTO-UHFFFAOYSA-N 382.504 4.666 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCN2c3ccccc3C[C@H]2C)c1 260770973 VRTGKSAWLCRDLE-WOJBJXKFSA-N 394.559 4.843 0 40 GJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260812303 ADCBJVWJXQDTNH-XXBNENTESA-N 390.568 4.720 0 40 GJAB CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 504499892 YSKYSQZEVNUXOX-CZRCWOFFSA-N 386.532 4.957 0 40 GJAB O=C(c1ccc(Cl)cc1)c1conc1C(=O)c1ccc(Br)cc1 987925 WBWPWHDSIXRWSE-UHFFFAOYSA-N 390.620 4.553 0 40 GJAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc(OCc2ccc(F)cc2)c1 1193708 IWMRRWRZWMNADE-FYJGNVAPSA-N 391.373 4.888 0 40 GJAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1ccccc1 1240024 NGBCZBNVYBADLF-UHFFFAOYSA-N 376.843 4.796 0 40 GJAB CCCc1nc2ccc(N)cc2c(=O)n1Cc1ccc(-c2ccccc2OC)cc1 1331495 RRSABTJUSZYSLS-UHFFFAOYSA-N 399.494 4.655 0 40 GJAB Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3Cc2cccs2)c1 1377777 WBWVGGCUSNNYOF-RTBURBONSA-N 385.602 4.929 0 40 GJAB C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1C2(c1ccccc1)c1ccccc1 2319273 LJMBTQFWGCRPKW-NFBKMPQASA-N 387.866 4.836 0 40 GJAB Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc3ncsc3c2)c(C)c1 2656471 BAXXTCHGQLZFIP-UHFFFAOYSA-N 382.485 4.797 0 40 GJAB O=C(CSc1nccn1-c1ccccc1)Nc1ccccc1C(F)(F)F 2722994 ZLUMXSOFNPBNIT-UHFFFAOYSA-N 377.391 4.622 0 40 GJAB O=C(CSc1nccc(-c2ccc(Cl)cc2)n1)c1ccc2c(c1)OCCO2 2806404 GKPMFLYSOPWIOA-UHFFFAOYSA-N 398.871 4.543 0 40 GJAB COc1cc(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)cc(OC)c1OC 3309941 BHNQNFNYCNYJRL-UHFFFAOYSA-N 386.488 4.984 0 40 GJAB O=S(=O)(c1ccccc1)c1nc2ccccc2nc1/C=C/c1ccc(F)cc1 4309755 PXKKYHWCTPRLRG-NTCAYCPXSA-N 390.439 4.772 0 40 GJAB COc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)Nc2ccccc2F)C3)cc1 4887956 SYUIHYHJOHTQHB-YQQQUEKLSA-N 397.494 4.542 0 40 GJAB O=C1[C@@H]2C=CC=C[C@@H]2N=C(SCc2ccc(F)cc2)N1Cc1ccccc1 5682901 STRCWNLEWXDMGA-UXHICEINSA-N 378.472 4.568 0 40 GJAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)sc2c1 5916377 HGZADNRNTHLMSD-UHFFFAOYSA-N 399.541 4.992 0 40 GJAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc(Br)c2)n1 5957495 OTLARVHEQRFRQK-UHFFFAOYSA-N 381.229 4.932 0 40 GJAB biogenic COc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Nc1ccccc1 6847148 PLCJGUQBXONDBQ-UHFFFAOYSA-N 376.416 4.983 0 40 GJAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccc(F)cc4)c(=O)c23)s1 7015794 YPYKWXGRLYKMGU-UHFFFAOYSA-N 384.457 4.517 0 40 GJAB CC[C@H](C)Oc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC 7078373 STWVXEKTQOLDJD-VWSXOWHUSA-N 390.549 4.962 0 40 GJAB Fc1ccccc1-c1nnc(SCc2nc(-c3cccc(Cl)c3)no2)o1 7112448 DALZBICMMASBQW-UHFFFAOYSA-N 388.811 4.871 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)N[C@@H](c1ccccc1)c1cccs1 7221825 HVZXIZHEQSKSIZ-IBGZPJMESA-N 379.510 4.622 0 40 GJAB CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 7594355 MYPHNZXREUZHHA-UHFFFAOYSA-N 384.888 4.524 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2c(-c3ccccc3)noc2C)cc1OCC 7777284 DCPDXKYDUNJJFP-HNNXBMFYSA-N 394.471 4.938 0 40 GJAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Oc2ccc3ccccc3c2)CC1=O 7929282 WKQFHSGXLPXCFM-KRWDZBQOSA-N 379.843 4.760 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(O)c(Br)c2)N1C1CCCC1 8703988 CPZUGMAKWWJTCO-SFHVURJKSA-N 387.277 4.664 0 40 GJAB O=C(Nc1ccnn1Cc1ccccc1)c1ccccc1COc1ccccc1 9375848 MFNRLFOPCAMAPY-UHFFFAOYSA-N 383.451 4.763 0 40 GJAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCCC)cc2)cc1 12062626 QKYPZGWEIZDAQR-UHFFFAOYSA-N 381.432 4.567 0 40 GJAB CC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCCC2)cs1 12219414 JERQCSIMRXNQOD-UHFFFAOYSA-N 397.544 4.652 0 40 GJAB C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)OC12CC3CC(CC(C3)C1)C2 12401801 PCXPQDVJYZHBPC-XXWNAHEMSA-N 381.438 4.809 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CSc3ncnc4sccc34)c2)cs1 12567594 UNKUKCLGEJDMFB-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB CC(C)[C@H](NC(=O)COc1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1 12824879 GXISLARVTHMCEX-SFHVURJKSA-N 392.286 4.762 0 40 GJAB C[C@H](NC(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1)c1ccccc1 12920236 VKLJNQKKSCJXRB-IRXDYDNUSA-N 393.556 4.742 0 40 GJAB O=C(Nc1nc(CN2CCCC2)cs1)c1ccc(Oc2ccccc2)cc1 12996842 KAXNZQLBVOURSY-UHFFFAOYSA-N 379.485 4.784 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 15421812 XVEKUUFMOIAABK-UHFFFAOYSA-N 382.423 4.508 0 40 GJAB CC(=O)c1cccc(-n2c3c(c(SCc4cccc(C)c4)nc2=O)CCC3)c1 15840543 KYOWGBKAYAEDAR-UHFFFAOYSA-N 390.508 4.525 0 40 GJAB CCOc1cc(OCC)cc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)c1 16609885 KSQMNMDVIUHHGY-UHFFFAOYSA-N 390.867 4.738 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@H](C)C2 17076843 WQQWVBYKBCAENQ-TTZDDIAXSA-N 375.534 4.813 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cccc4cccnc34)n2)cc1F 18707009 SYHFUILEBMAGFU-UHFFFAOYSA-N 379.416 4.758 0 40 GJAB CC(C)[C@H](NC(=O)c1cc(-c2cccnc2)c2cnccc2n1)c1cccs1 19445925 YOOIHHXVRMHEAS-NRFANRHFSA-N 388.496 4.880 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1Cl 20452528 RKZAKDOPLBPHLZ-OAHLLOKOSA-N 389.879 4.848 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 20462081 LZIPJXHCLPEIAG-KRWDZBQOSA-N 387.545 4.712 0 40 GJAB CCOC(=O)Nc1ccc2c(CN3CCC[C@H]3c3cccs3)cc(=O)oc2c1 25424063 NBRDFACTBAKEED-KRWDZBQOSA-N 398.484 4.760 0 40 GJAB Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 28241927 MEPJGKZRTZBNMZ-UHFFFAOYSA-N 377.341 4.520 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2nc3ccccc3[nH]2)cc1 28794616 CRGIPXNMLWJNHP-OAQYLSRUSA-N 377.488 4.648 0 40 GJAB CN(C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)c1ccccc1 29293459 XWJPAWMCFBQHJH-UHFFFAOYSA-N 394.268 4.957 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)n2)cc1 32843325 PVRCGTNMROAQFF-FUHWJXTLSA-N 383.517 4.945 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)o1 40131579 YQCDZHVNGOGXKY-UHFFFAOYSA-N 395.430 4.811 0 40 GJAB Cc1cc(C)cc(NCCC(=O)N[C@H](C)c2cccc(Br)c2)c1 40152808 BNVTYNAXOAZIAQ-OAHLLOKOSA-N 375.310 4.745 0 40 GJAB CN(C)C(=O)c1ccc(CNc2ncnc3scc(-c4ccccc4)c23)cc1 41817228 NPFVXBNGBJEIJR-UHFFFAOYSA-N 388.496 4.672 0 40 GJAB O=C(Nc1ccccc1OC(F)(F)F)N1CCC[C@H]1c1nc2ccccc2[nH]1 43879154 YHNAKHVGGIIRQN-HNNXBMFYSA-N 390.365 4.831 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)C1 44906427 VYLOVHXSZYCOQU-SFHVURJKSA-N 384.951 4.935 0 40 GJAB CC[C@H](C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccccc1 49030281 ABVZGMOLMDJQEB-UXHICEINSA-N 392.499 4.596 0 40 GJAB C[C@H](NCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2)c1ccccc1 49597276 VCKKPVIXSWNNRA-VEDPWSRISA-N 392.543 4.928 0 40 GJAB O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccnc(Cl)c1 52991175 UMMPZZAXRSESPK-UHFFFAOYSA-N 381.650 4.539 0 40 GJAB O=C(Nc1nc(-c2ccccc2)cs1)c1cnn(-c2cccc(Cl)c2)c1 59735251 SURRGHWOBPYHJP-UHFFFAOYSA-N 380.860 4.902 0 40 GJAB C[C@H](C(=O)Nc1ccc(Cl)c(F)c1)n1c(-c2cccs2)n[nH]c1=S 65515387 LIPYMZAIMQPZIC-MRVPVSSYSA-N 382.873 4.661 0 40 GJAB O=C(CCn1ccc2cc(Br)ccc21)Nc1cccc2[nH]ccc12 70666533 IWRPKMMNPAHPEB-UHFFFAOYSA-N 382.261 4.914 0 40 GJAB biogenic Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nc(-c2ccccn2)cs1 72405936 HIFBYFMWRLBWAS-UHFFFAOYSA-N 395.875 4.511 0 40 GJAB CN1CCC[C@H]1CCSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 83877915 UKUKVWGSIRFMIG-FQEVSTJZSA-N 396.535 4.709 0 40 GJAB Brc1csc(-c2noc(CN3CC[C@H](c4ccccc4)C3)n2)c1 84525552 WCPBJSIIWIUJKN-ZDUSSCGKSA-N 390.306 4.550 0 40 GJAB Cc1sc(NC(=O)c2cc3c(cc2F)NC(=O)CC3)nc1-c1ccc(F)cc1 95970865 HSOCTCUDFQTSKP-UHFFFAOYSA-N 399.422 4.534 0 40 GJAB Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 100424635 MFEZQZGVFAWMQQ-NHCUHLMSSA-N 379.573 4.867 0 40 GJAB CC[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(OC)c(OC)c1 222802150 JWWKJUGEHYXWKG-SFHVURJKSA-N 385.504 4.648 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)c3ccc(N4CCCCC4)cc3)s2)cc1 223257752 LJZKKNAJTYWWLW-UHFFFAOYSA-N 378.501 4.756 0 40 GJAB COc1ccc2c(c1)CCC[C@H]2NC(=O)CSCc1ccc(Cl)cc1F 223295481 OCFIOVQBFJAFNC-LJQANCHMSA-N 393.911 4.915 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 223786188 AOKURFZCEWOVRQ-HXUWFJFHSA-N 394.559 4.851 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 224289663 KKSNUWWFLQFVJT-GOSISDBHSA-N 377.484 4.755 0 40 GJAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225472380 LEJHURAUBWERHJ-HXUWFJFHSA-N 394.559 4.685 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 225518769 LUWMPNOJCKPKGB-NZQKXSOJSA-N 394.559 4.568 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 225526479 CNOJJRJQHUQANC-REWPJTCUSA-N 394.559 4.568 0 40 GJAB Cc1ccc(CN(C)C(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225583970 XJVFEXZSMIVEDW-UHFFFAOYSA-N 388.914 4.658 0 40 GJAB Cc1nc(-n2cccc2)sc1C(=O)NCc1nc(C2CCCCC2)cs1 390828272 ARNNAFQLASAGAG-UHFFFAOYSA-N 386.546 4.676 0 40 GJAB COc1ccc(CCNC(=S)c2cccc(OCc3ccccc3)c2)cc1 408574412 QKIKWOBPSWXGJC-UHFFFAOYSA-N 377.509 4.782 0 40 GJAB O=C(COC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 408585774 IHNFMFONMCISQF-UHFFFAOYSA-N 380.827 4.959 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc2c(Cl)cccc2s1 408626368 GUQZVAMPAZTHHQ-UHFFFAOYSA-N 396.324 4.659 0 40 GJAB CCCN(CCOc1c(Cl)ccc(Cl)c1Cl)C(=O)n1ccnc1 521219281 REJJIMYKGINFRG-UHFFFAOYSA-N 376.671 4.602 0 40 GJAB COc1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)cc1 532291836 LDWWUJIVBPUGPV-HXUWFJFHSA-N 378.476 4.995 0 40 GJAB O=C(NCCc1ccc(-c2ccsc2)s1)C1(c2ccccc2)CCOCC1 575414043 MDFBEZILEGQGNQ-UHFFFAOYSA-N 397.565 4.884 0 40 GJAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C2CC2)ncn1 1775976654 CWHPFIRBIFWLOL-UHFFFAOYSA-N 375.272 4.644 0 40 GJAB CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 940186 JYZFPKOASPALAK-KRWDZBQOSA-N 390.270 4.568 0 40 GJAB CCOC(=O)Oc1cc(OC(=O)OCC)c2c(=O)cc(-c3ccccc3)oc2c1 1448137 DGSVCZPYLOTLCB-UHFFFAOYSA-N 398.367 4.531 0 40 GJAB biogenic CC(=O)OCc1c(COC(C)=O)c(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 1557876 WDIXJKWTQFYVOP-UHFFFAOYSA-N 396.270 4.534 0 40 GJAB CCCOc1c(Cl)cc(/C=C2/N=C(c3cccs3)OC2=O)cc1OCC 2092952 VJUKIHRKDFHDFC-GXDHUFHOSA-N 391.876 4.934 0 40 GJAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2)cc1 2203906 GFOIUCBGKJELLF-UHFFFAOYSA-N 395.462 4.769 0 40 GJAB CC(C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 2461095 FBZOOTSNKLHPOE-UHFFFAOYSA-N 383.878 4.921 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Br)cn1 2550204 FBOVFZCFSJUSLC-UHFFFAOYSA-N 392.640 4.713 0 40 GJAB O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccccc1Cl 3218165 ONTCBNRVPNQXRR-UHFFFAOYSA-N 385.872 4.767 0 40 GJAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NCCC1=CCCCC1 3314410 YNSIHJOMZNSTCE-UHFFFAOYSA-N 379.456 4.642 0 40 GJAB Cc1ccccc1CSC1=NCCN1C(=O)c1cccc(Br)c1 4120026 ZPEBWOCCZVXKOX-UHFFFAOYSA-N 389.318 4.503 0 40 GJAB Cc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccccc32)o1 4168615 KDBUEHVYEAKDAM-UHFFFAOYSA-N 380.245 4.784 0 40 GJAB C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1Cl 4332072 YKHWRDOSDSLPOC-JTQLQIEISA-N 378.211 4.924 0 40 GJAB COc1ccc(-c2cc(-c3ccc(C)cc3)nc3sc(C(N)=O)c(N)c23)cc1 4746770 SOOWZYPHALBGQG-UHFFFAOYSA-N 389.480 4.628 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 5256092 HHUHHARVLVVHFZ-HXUWFJFHSA-N 395.846 4.507 0 40 GJAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc2c(c1)CCC2 5396804 MSERUPOBCSAZSL-UHFFFAOYSA-N 395.553 4.729 0 40 GJAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N1c2ccccc2C[C@H]1C 6559780 OGGMYHLAKQNZSL-ZIAGYGMSSA-N 396.541 4.740 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 6845046 BQKYALBSCUBSOO-UHFFFAOYSA-N 375.906 4.693 0 40 GJAB COc1ccc(C)cc1Cn1cnc2scc(-c3ccc(C)s3)c2c1=O 7671905 OAGCEVPOPYPUBI-UHFFFAOYSA-N 382.510 4.860 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1 7882425 FKMNEYSGCCPOES-GOSISDBHSA-N 386.451 4.779 0 40 GJAB CCOc1ncccc1C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 7989735 MSKWGOHONFDFED-SFHVURJKSA-N 391.496 4.585 0 40 GJAB CCN(CC)c1ccc(-c2nnc(SCCC(C)=O)n2-c2ccccc2)cc1 8392868 FANQYXUAAUOACT-UHFFFAOYSA-N 394.544 4.852 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 8478190 RPIAJTMRIOAPIC-MRXNPFEDSA-N 382.243 4.576 0 40 GJAB Cc1ccc(CNC(=O)Cc2csc(SCc3ccc(F)cc3)n2)cc1 8853959 QPGSJWJVKKCGGP-UHFFFAOYSA-N 386.517 4.742 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(F)ccc1Br 8924883 WWMAWNZCBNIFNO-UHFFFAOYSA-N 376.147 4.537 0 40 GJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1ccc2ccccc2c1 9036656 SIHLRTDEJPQKTE-UHFFFAOYSA-N 396.446 4.884 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3nc(-c4ccccn4)cs3)cs2)cc1 9657871 ZRVBWYMBVNPJIS-UHFFFAOYSA-N 378.482 4.889 0 40 GJAB O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 9987908 WESWGGLNXSBCMJ-ZHACJKMWSA-N 398.300 4.584 0 40 GJAB Cc1cc(OCC(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc(C)c1Cl 11913942 UXXVAIHCNOZQRR-UHFFFAOYSA-N 391.855 4.632 0 40 GJAB Cc1cc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)ccc1Br 12756920 XDSOEOHDZZRUQF-UHFFFAOYSA-N 386.249 4.732 0 40 GJAB c1cncc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2cccs2)c1 13266258 VMBMVTMRLRZITM-UHFFFAOYSA-N 388.452 4.608 0 40 GJAB COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2)cc1 13564478 YIANPTYGWQXWCU-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB C[C@H](NC(=O)c1ccc(Br)s1)c1ccccc1Br 14425840 KDDVINYCNJYBEN-QMMMGPOBSA-N 389.112 4.764 0 40 GJAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@@H]2c1cccc(OC)c1OC 15024276 VQIZEMZOHPZSDU-JPEVHGAISA-N 384.472 4.867 0 40 GJAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)Cc1ccccc1-2 15982812 WSAXKGPPSRPWJH-UHFFFAOYSA-N 399.446 4.631 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1F 18120024 IOMZLEMUCFLUFX-HNNXBMFYSA-N 392.430 4.578 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 20042063 RNYOZCZVEPEZCR-IBGZPJMESA-N 393.936 4.887 0 40 GJAB O=C(CSCc1ccccc1Br)NCc1ccc(Cl)cc1 20238169 ULCZXNOUDMBPOP-UHFFFAOYSA-N 384.726 4.652 0 40 GJAB O=C(NCc1cccnc1)c1sc2cccc(F)c2c1COc1ccccc1 23238440 KMFZQAHGFMZEJA-UHFFFAOYSA-N 392.455 4.944 0 40 GJAB CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2ccc(Cl)cc2F)c1 24356666 YRNWIMZNQFBWES-UHFFFAOYSA-N 377.847 4.514 0 40 GJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2[nH]cnc2c1 24503810 RBCUEUPSNKLWAS-INIZCTEOSA-N 398.466 4.648 0 40 GJAB CC(C)c1ccc(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)cs2)cc1 29506806 GBQKGKWOTHXCKP-UHFFFAOYSA-N 391.540 4.896 0 40 GJAB CC(C)c1c(C(=O)Nc2nnc(C3CC3)s2)cnn1-c1ccc(Cl)cc1 31891737 ZSGZIGNYNJFPPE-UHFFFAOYSA-N 387.896 4.630 0 40 GJAB CSc1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 32843301 FHGGPUCXPXCJRR-UHFFFAOYSA-N 385.920 4.579 0 40 GJAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 36353996 CJPZMDPMWJJSEP-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB COc1ccc(CN(C)C(=O)CCc2ccc(Cl)cc2Cl)cc1OC 44600048 YBBKQAXSIDMYCF-UHFFFAOYSA-N 382.287 4.602 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1 45351350 CGFRDTYUPHOYAY-OYHNWAKOSA-N 391.423 4.655 0 40 GJAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)N(C)C(C2CC2)C2CC2)cc1 51682757 NAGYAHJPEKISON-UHFFFAOYSA-N 391.559 4.745 0 40 GJAB CN(C(=O)CCC(=O)c1ccc(F)cc1)[C@H](c1cccc(F)c1)c1ccccn1 58325168 ZBZCLYBNCBVMIG-HSZRJFAPSA-N 394.421 4.571 0 40 GJAB Cc1cc(SCC(=O)Nc2cc(F)ccc2F)nc(-c2cccc(F)c2)n1 67257407 LZEOWPRQIAVVFO-UHFFFAOYSA-N 389.402 4.600 0 40 GJAB CCn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 71785066 WJBPXFYDIOPTIY-AKMVADNRSA-N 378.516 4.519 0 40 GJAB CNc1ncccc1CN1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72350264 HIDBSNPKYLCCFO-LJQANCHMSA-N 390.506 4.628 0 40 GJAB FC(F)(F)c1cccc(-c2cncc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 72359437 MLRGLRIYRLWUGR-KRWDZBQOSA-N 398.432 4.937 0 40 GJAB CC(=O)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[C@]12C 78408888 BQIBBYLXJDSLIR-QGZPSTLZSA-N 376.537 4.893 0 40 GJAB COc1ccc(-c2nc(COc3c(Br)cccc3OC)co2)cc1 79073292 ZCVHVEALSNPZTE-UHFFFAOYSA-N 390.233 4.700 0 40 GJAB FC(F)(Br)C(F)(F)CCOc1cccc(Br)c1 98210659 AUMNQMODGCKRKD-UHFFFAOYSA-N 379.973 4.841 0 40 GJAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O 103718920 QUVMYBAHZXXXMN-NSHDSACASA-N 397.689 4.947 0 40 GJAB C[C@H]1c2[nH]c3ccccc3c2CCN1C[C@@H](O)c1ccc(OC(F)(F)F)cc1 107335602 MTLCJTGEUVTNQR-ORAYPTAESA-N 390.405 4.719 0 40 GJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CC(=O)C(F)F 118935337 ZAXCQRPFYWCZNH-OOACHZIOSA-N 394.502 4.720 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N1CCS[C@H](c2ccccc2Cl)CC1 208046724 WGRIYEOZBOVYDX-IBGZPJMESA-N 399.899 4.767 0 40 GJAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(-c3cccs3)nn2C)CCS1 219288398 PBSHTGWUPGQFMJ-IBGZPJMESA-N 397.569 4.777 0 40 GJAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 222840649 HJBUUIZNRCZOFG-INIZCTEOSA-N 377.937 4.774 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223063419 BUICJVUHFURORI-CQSZACIVSA-N 391.855 4.794 0 40 GJAB Cc1ccc(NC(=O)c2sc(-c3cccnc3)nc2C)c(Br)c1 223109603 UIEKTNNMCBOTIW-UHFFFAOYSA-N 388.290 4.837 0 40 GJAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)c1 224290760 IUXTYPJRUZFVSJ-LEWJYISDSA-N 376.529 4.820 0 40 GJAB Cc1ccc(CSCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224984311 CLWZKUVJCJNCAH-UHFFFAOYSA-N 377.937 4.855 0 40 GJAB C[C@H](O)c1ccc(C2(CNC(=O)c3cc(-c4ccccc4)on3)CCCC2)s1 225681705 PFPNCHIPGAHQEK-HNNXBMFYSA-N 396.512 4.698 0 40 GJAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3cccc(Cl)c3Cl)c2c1 225755179 LRNWGULPVIOFSM-UHFFFAOYSA-N 375.255 4.564 0 40 GJAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Cl)c1 408615279 OILMIBUQCHECEG-UHFFFAOYSA-N 378.859 4.831 0 40 GJAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3cccc(C)c3)sc2n1 408626150 ZMKAYNHVWSNCIF-UHFFFAOYSA-N 398.557 4.964 0 40 GJAB COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)sc2c1CCCC2 409171966 FSHVJRGGNODFEJ-CYBMUJFWSA-N 389.542 4.841 0 40 GJAB O=C(c1ccccc1C(F)(F)F)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775975973 RZZSNRRCMDPQQP-STQMWFEESA-N 383.801 4.564 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@H](C)Oc1cccc(Br)c1 934651 DWPDHMXQBSPYJJ-ZDUSSCGKSA-N 376.294 4.980 0 40 GJAB CCCOC(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 1800702 SUWJUMAIKCPDNX-UHFFFAOYSA-N 389.451 4.938 0 40 GJAB Cc1ccccc1-n1c(SCCOc2ccccc2)nnc1-c1ccncc1 2618555 JUFYRIBUFBRBPY-UHFFFAOYSA-N 388.496 4.809 0 40 GJAB Cc1cc(C)nc(SCc2nnc(SC(C)C)n2-c2ccc(F)cc2)n1 2706379 GOPIIQJKYPIEAP-UHFFFAOYSA-N 389.525 4.606 0 40 GJAB O=C(NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1F 3329424 IWVKBHLWVFFBCH-UHFFFAOYSA-N 376.762 4.625 0 40 GJAB Cc1ccc(Nc2nnc(SCc3nnc(-c4cccs4)o3)s2)cc1 3535911 QPGUQAOPUFARKZ-UHFFFAOYSA-N 387.515 4.994 0 40 GJAB O=C(Cc1cccs1)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4162449 DKLVNTQXDRMQJA-UHFFFAOYSA-N 376.437 4.928 0 40 GJAB O=C(Cc1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 4426657 UJRDUSKSHFSRCK-UHFFFAOYSA-N 378.284 4.617 0 40 GJAB O[C@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 4478285 PWGGGQLSUQVPIX-SFHVURJKSA-N 389.402 4.675 0 40 GJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1 4823481 AZHOPCMHSLPLCI-UHFFFAOYSA-N 379.485 4.945 0 40 GJAB CCCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccco1 4861131 NSIOCMXOJBQIMB-UHFFFAOYSA-N 398.532 4.940 0 40 GJAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 4871115 OKBZCQOAZNRUQV-ZWNOBZJWSA-N 383.872 4.546 0 40 GJAB Cc1ccccc1OCC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 5137337 DXRWOLMFQGTDDV-UHFFFAOYSA-N 386.904 4.510 0 40 GJAB Brc1cc2c(cc1CSc1nnc(-c3ccccc3)o1)OCO2 5216299 LLTUZBKGIVDTSJ-UHFFFAOYSA-N 391.246 4.520 0 40 GJAB CCc1cc2c(CSc3nnc(C)n3C3CCCCC3)cc(=O)oc2cc1O 5866103 GQTLXRYWYVKIOF-UHFFFAOYSA-N 399.516 4.758 0 40 GJAB COc1cc(C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OC 6503893 ITPCWZQYSBAEEC-UHFFFAOYSA-N 384.657 4.680 0 40 GJAB COc1cc(C(C)=O)ccc1OCCCCN1CCCC[C@H]1c1cccnc1 6624437 RJROGNNLCSDZQC-NRFANRHFSA-N 382.504 4.679 0 40 GJAB biogenic Cc1cc(-c2csc(NC(=O)c3ccncc3)n2)c(C)n1Cc1ccccc1 6944261 LMZPTKYSBOZPCJ-UHFFFAOYSA-N 388.496 4.924 0 40 GJAB CCc1ccc(-c2noc(CSc3nnc(C)n3C3CCCCC3)n2)cc1 7179845 OWVNLXHWKGHOCT-UHFFFAOYSA-N 383.521 4.996 0 40 GJAB O=C(/C=C/c1cccs1)N(CCCn1ccnc1)c1nc2ccccc2s1 7424428 MAVQAETWBJKVOS-CMDGGOBGSA-N 394.525 4.691 0 40 GJAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)NCCc1ccc(Cl)cc1 7780834 KWVUGVLAMGEGIX-QPJJXVBHSA-N 392.282 4.527 0 40 GJAB COc1ccccc1C(=O)N[C@@H](C(=O)Nc1c(C)cccc1C(C)C)C(C)C 8133380 JTLSMLNMFPQCQQ-HXUWFJFHSA-N 382.504 4.520 0 40 GJAB CC(=O)N(C)Cc1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C 9250281 JBQVFPCXPAEMCH-UHFFFAOYSA-N 393.531 4.916 0 40 GJAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc(C(F)(F)F)c1 10648236 CQOJKZWJFQWODX-UHFFFAOYSA-N 391.267 4.520 0 40 GJAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2c[nH]nc2-c2cccnc2)cc1 10950323 CDAFOSCKKTYYPJ-QHCPKHFHSA-N 395.466 4.547 0 40 GJAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2cc(-c3ccco3)on2)o1 12906009 SXRDRYUJQIGASL-NSHDSACASA-N 387.392 4.889 0 40 GJAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cnc21 12907260 PWIXDMDBNVOUIK-LLVKDONJSA-N 377.275 4.810 0 40 GJAB COc1cccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c1 14676162 CIYSDILUBIPNQK-UHFFFAOYSA-N 392.459 4.769 0 40 GJAB Cc1sc(NC(=O)COc2ccccc2Cl)nc1-c1ccc(F)cc1 14911255 CTVFRMHHTMWFSD-UHFFFAOYSA-N 376.840 4.929 0 40 GJAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 16643654 WTMHVJRSMSSCHY-QGZVFWFLSA-N 379.504 4.867 0 40 GJAB Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC[C@H](C)C3)c2c1 20380811 AXZCIJAQRJLCOW-KRWDZBQOSA-N 380.513 4.612 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 22504246 HFWXPEAFTHQLEG-UHFFFAOYSA-N 399.878 4.682 0 40 GJAB CCCCCc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 25805065 LAOKYOVXHJYPCN-NRFANRHFSA-N 380.488 4.789 0 40 GJAB O=C(NCc1ccccc1C(F)(F)F)c1ccc(Cn2cc(Cl)cn2)cc1 27969563 MJRPNSQUSJKUOZ-UHFFFAOYSA-N 393.796 4.534 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Nc2ncccn2)c1 32342635 IMGQEIJHIGKGSV-CQSZACIVSA-N 389.484 4.663 0 40 GJAB Cc1cccc(C(=O)Nc2ccccc2OC(F)(F)[C@@H](F)C(F)(F)F)n1 32925683 HKAYQCXSWPNJTM-AWEZNQCLSA-N 378.272 4.514 0 40 GJAB Cc1ccccc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 33012567 JJRYLOBTJWXZEI-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB CCOC(=O)c1c(/C=C/c2ccc(Br)s2)cccc1OC(C)=O 35973609 FJVBXPCYEHZNRK-BQYQJAHWSA-N 395.274 4.783 0 40 GJAB COc1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc1OC 36783873 VQWJNJWRMLFQDH-XSFVSMFZSA-N 399.446 4.740 0 40 GJAB COc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 38834175 BXQVZZOYOLEEDO-OAHLLOKOSA-N 393.314 4.853 0 40 GJAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccc(Cl)cc2)c(OC)c1 49547482 RDUUDWVYOZYRCZ-KRWDZBQOSA-N 397.862 4.726 0 40 GJAB CSc1nc(C(=O)OCC(=O)c2sc3ccccc3c2C)c2ccccn12 58320961 MOPMRXZYEQVKEO-UHFFFAOYSA-N 396.493 4.619 0 40 GJAB CCc1onc(C)c1-c1nc(N2C[C@@H](C)C[C@@H](C)C2)ncc1-c1ccncc1 72342881 JYKFIZMFFSMTCW-GASCZTMLSA-N 377.492 4.547 0 40 GJAB O=C(c1ccc2ncccc2c1)N1CCC[C@H]1c1ccnc(-c2ccccc2)n1 72354378 QJPZOENLPNKBBB-QFIPXVFZSA-N 380.451 4.669 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)C12CCCCC2 72401951 JXPFRWDEVJTNNF-NRFANRHFSA-N 391.515 4.619 0 40 GJAB C[C@H](NC(=O)c1cc(Br)ccc1OC(F)F)[C@@H]1C[C@@H]2CC[C@@H]1C2 102003641 NCROOAVJCNIGNZ-WGBDABJCSA-N 388.252 4.605 0 40 GJAB Cc1cccc(N2C(=O)/C(=C\Nc3cccc(Cl)c3)c3ccccc3C2=O)n1 102330473 BYYKYHRIKOJDKY-UYRXBGFRSA-N 389.842 4.683 0 40 GJAB CC1CCN([C@H](C(=O)Nc2nnc(C3CCCCC3)s2)c2ccccc2)CC1 141593905 BYHQVWCQUZVKCC-IBGZPJMESA-N 398.576 4.998 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219565830 BCHZGTKGVRVOQH-ZWKOTPCHSA-N 383.488 4.580 0 40 GJAB O=C(CCc1cccc2ccccc12)NCc1nc(-c2ccccc2Cl)no1 222679480 NSPCDIMPUNGFTN-UHFFFAOYSA-N 391.858 4.792 0 40 GJAB Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1C 222873460 GMYYOZUZKJASEV-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc2c(c1)CCC2 223229948 VSGRJADCFOLGQF-UONOGXRCSA-N 388.305 4.583 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccccc2)cc1 223663190 YIPQKZCRCSFFDD-VKZJTJHYSA-N 390.508 4.705 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1C 223942723 LTRPJCXLTWTAMH-RTBURBONSA-N 381.516 4.533 0 40 GJAB Cc1ccc(OCCNC(=O)CSCc2ccccc2Cl)cc1Cl 224119255 ALMLIPVZQNSBQK-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)ccc1F 224896024 FODVREZFHKCKCP-SFTDATJTSA-N 394.519 4.662 0 40 GJAB CCCC[C@H](CC)CNC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 225121501 FJNPDQQGZZICLK-IGCAKMCNSA-N 382.504 4.692 0 40 GJAB COc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225320086 QFDNYLJKXALFTP-CYBMUJFWSA-N 382.287 4.518 0 40 GJAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)CCCC2 225627799 DPIFSZPIYVYULQ-UHFFFAOYSA-N 384.479 4.748 0 40 GJAB COC(=O)c1c(NC(=O)C2(c3ccccc3)CCCC2)sc2c1CCCC2 225868519 SUHQNUNJXNVSJF-UHFFFAOYSA-N 383.513 4.864 0 40 GJAB CCN(C(=O)c1ccc(-c2ccc(N)cc2Br)o1)c1ccccc1 226303963 XRIUBPUNWQMZIW-UHFFFAOYSA-N 385.261 4.958 0 40 GJAB CCc1nnc(Nc2cccc([C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)s1 257204380 AUHNIFJPVDZTPV-INIZCTEOSA-N 399.564 4.525 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@H](O)c1ccc(-c2ccsc2)o1 390829864 HDAUBMAWGZAHCI-IBGZPJMESA-N 377.465 4.554 0 40 GJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccccc2)cc1 408674916 DXJGENNUDKLQHK-UHFFFAOYSA-N 398.462 4.504 0 40 GJAB COc1ccccc1/C=C1/SC(=O)N(CNc2cccc(Cl)c2C)C1=O 408724898 CANGROLYANPDJU-LICLKQGHSA-N 388.876 4.763 0 40 GJAB Cc1cc(C)cc(C(=O)N[C@@H]2CC3(CCN(C(C)C)CC3)Oc3ccccc32)c1 585105947 UDCZFDNRFVGWOX-JOCHJYFZSA-N 392.543 4.800 0 40 GJAB Cc1cccc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1C 646278 ZMYOMHLSDQEMMH-KRWDZBQOSA-N 386.757 4.766 0 40 GJAB O=C1CN2C(SCc3ccc(Cl)cc3Cl)=Nc3ccccc3C2=N1 1389965 OUMNJSFPBLEBBK-UHFFFAOYSA-N 376.268 4.517 0 40 GJAB O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1ccco1 4078242 MWGPTJCXJBZNHL-UHFFFAOYSA-N 385.392 4.695 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)CSc1nncn1-c1cccc(OC)c1 4843765 DZPKHTHPAIUITQ-HNNXBMFYSA-N 396.516 4.520 0 40 GJAB CCOc1ccc(N2C(=O)S/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1 5156687 KCHKEODUTGPEQF-UYRXBGFRSA-N 399.468 4.734 0 40 GJAB COc1ccc(C(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1OC 5330251 MJSZSEYOYMYKPN-UHFFFAOYSA-N 396.493 4.855 0 40 GJAB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 6084126 IILBYPMIQXEYFO-CYBMUJFWSA-N 396.270 4.559 0 40 GJAB COc1cc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc(OC)c1OC 6945506 RGUDJMYSJJBTEI-UHFFFAOYSA-N 395.839 4.972 0 40 GJAB CCOc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 7318736 XBUGXKWDGKJNNO-UHFFFAOYSA-N 387.439 4.564 0 40 GJAB COc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H]3c3cccs3)ccc2c1 7362857 DRGNNKORSZKICH-OAQYLSRUSA-N 394.540 4.705 0 40 GJAB CC(C)n1cc(C(=O)c2cc(F)ccc2O)cc1-c1nnc(-c2ccccc2)o1 7778793 DXQUISMNORMJBM-UHFFFAOYSA-N 391.402 4.862 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 7882316 DIXBTRMGWRWFSH-INIZCTEOSA-N 390.414 4.610 0 40 GJAB COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2sccc2C)cc1 7884480 ZYCZQFHWGKIZFX-OAQYLSRUSA-N 378.497 4.874 0 40 GJAB O=C(Oc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7929477 NZNYTBXFDXUJNM-SNVBAGLBSA-N 384.646 4.605 0 40 GJAB COc1ccc(OC)c([C@@H](C)NCc2ccc(-n3cnc4ccccc43)cc2)c1 8395488 WHUOJLXXQKDQLJ-QGZVFWFLSA-N 387.483 4.894 0 40 GJAB Cc1cc(C)c(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c(Cl)c1 8395617 DKKTUTDZBJTYKC-UHFFFAOYSA-N 379.287 4.759 0 40 GJAB O=C1[C@H]2CS[C@H](c3ccc(F)cc3)N2C(=O)N1c1ccc(Cl)c(Cl)c1 8514065 PKNFFUZOOCPTJE-GDBMZVCRSA-N 397.258 4.715 0 40 GJAB Cc1ccc([C@@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2Cc2ccco2)cc1 8916635 FKLJSOQFEKUQBU-OAQYLSRUSA-N 385.419 4.748 0 40 GJAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3F)ccc21 8959266 ZYOVSYQEXPYIST-UHFFFAOYSA-N 398.478 4.876 0 40 GJAB Cc1ccsc1CN(C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 9217869 PTFYKZIZDHDRSR-UHFFFAOYSA-N 386.517 4.559 0 40 GJAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCCO2 9339110 OIBJAXRVEKOAPH-WAIKUNEKSA-N 386.451 4.786 0 40 GJAB CC(C)[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 10857854 ZMPGKTPYTPLDAX-QFIPXVFZSA-N 384.907 4.523 0 40 GJAB COc1ccc(NCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1Cl 11257138 FKNDPIRXZFPUEJ-FQEVSTJZSA-N 386.904 4.728 0 40 GJAB O=C(CNC12CC3CC(CC(C3)C1)C2)Nc1ccc(OCc2ccccc2)cc1 12595539 PQECFMRAIQCSMG-UHFFFAOYSA-N 390.527 4.763 0 40 GJAB Cc1noc(C)c1CSc1nnc(Cc2cccs2)n1-c1ccccc1 12606218 RDOJZERCUFLLPO-UHFFFAOYSA-N 382.514 4.817 0 40 GJAB CC(C)Oc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12751089 UIWWAUKRISEVRV-FQEVSTJZSA-N 381.472 4.612 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)CCc3c(C)noc3C)sc2C)cc1 12756135 REILGWLABUHNRY-UHFFFAOYSA-N 385.489 4.693 0 40 GJAB COc1cccc(CNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c1 12781061 HKXMPSURZGQMEZ-UHFFFAOYSA-N 378.497 4.788 0 40 GJAB C[C@H](c1ccccc1)N(C)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 12854010 SUDZVTPCNBAXPS-CQSZACIVSA-N 393.487 4.984 0 40 GJAB CC(C)c1ccc(-c2nc(C(=O)Nc3cccc(C(=O)N(C)C)c3)cs2)cc1 13012225 XFGRBNVEWHJAJM-UHFFFAOYSA-N 393.512 4.888 0 40 GJAB Cc1cccc2cc(CN(CC(C)C)C(=O)c3cccc(Cl)c3)c(=O)[nH]c12 13817516 ICJYBLGWTQBBGQ-UHFFFAOYSA-N 382.891 4.788 0 40 GJAB O=C(/C=C/c1cccc2cccnc12)OCc1nc2ccccc2n1C(F)F 14903284 IQMIBVXASXTQPS-ZHACJKMWSA-N 379.366 4.736 0 40 GJAB CCCCCOc1ccc([C@](C)(O)[C@@H](CN2CCOCC2)c2ccccc2)cc1 15942315 PATRGQJCCXOKSK-DQEYMECFSA-N 397.559 4.579 0 40 GJAB O=C(O)c1ccc(CNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 20139991 ILHMORRWERFTGD-UHFFFAOYSA-N 390.222 4.882 0 40 GJAB CCN(CC)c1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2ccc(C)cc12 20381493 OQCOACFUXNKQCI-UHFFFAOYSA-N 388.920 4.876 0 40 GJAB COc1cccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4)ccc3o2)c1 21579421 NQHRPVFFAGESSE-UHFFFAOYSA-N 388.423 4.829 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1cccnc1SCC(F)(F)F 22522522 PIIDGVJCCAFPKN-UHFFFAOYSA-N 391.212 4.751 0 40 GJAB O=C(Nc1ccccc1)[C@@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1 22614622 CFHVZWUREHFPSA-INIZCTEOSA-N 389.402 4.968 0 40 GJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCc3sccc3[C@@H]2C)o1 23967961 RYALUVDKTMIJBS-ZDUSSCGKSA-N 392.484 4.881 0 40 GJAB C[C@@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCO2 24832329 MLVVKUVGXHYURM-QGZVFWFLSA-N 388.467 4.561 0 40 GJAB CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCCC[C@@H]12 25184403 SDFWRNQJNYARMA-IFMALSPDSA-N 379.891 4.664 0 40 GJAB CC(=O)N(c1nnc(SCCOc2ccc(C(C)C)c(C)c2)s1)C1CC1 25362168 IKLNOHOPUNXUEW-UHFFFAOYSA-N 391.562 4.656 0 40 GJAB O=C(Cc1ccc(F)cc1)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 28221609 PORQZEXZPLOICT-UHFFFAOYSA-N 391.377 4.863 0 40 GJAB C[C@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)NCc1cccs1 31423914 IUQRNODTPPYGES-LBPRGKRZSA-N 392.933 4.995 0 40 GJAB Cc1ccc(/C=C/c2nc(SCC(=O)c3ccc4c(c3)CCCC4)n[nH]2)o1 31802365 KLHHPBPYRUMHRQ-ZHACJKMWSA-N 379.485 4.730 0 40 GJAB c1ccc(-c2csc3nc(CN4CCCCC4)nc(-n4ccnc4)c23)cc1 32533615 VTQSBWCWGGFUAU-UHFFFAOYSA-N 375.501 4.530 0 40 GJAB CCOc1ccc(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)c2cccnc12 32622604 QESDCOVLDGWQCZ-UHFFFAOYSA-N 388.423 4.555 0 40 GJAB CN(C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)[C@@H]1CCCc2ccccc21 32744458 ZPVICSAELWDSGR-LJQANCHMSA-N 382.891 4.616 0 40 GJAB Cc1cccc(NC(=O)COc2ccccc2-c2noc(Cc3ccccc3)n2)c1 33325007 SBUSEKYEWAIBJQ-UHFFFAOYSA-N 399.450 4.653 0 40 GJAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ccc(Cl)cc1 35476405 UJAVMUMSZSHCLI-FQEVSTJZSA-N 375.921 4.745 0 40 GJAB C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](c2nc3ccccc3o2)C1 40081904 YSNTZTBWXHMIIA-KGLIPLIRSA-N 380.473 4.880 0 40 GJAB CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1cccc(F)c1 40095875 BUSAINXHBWTCEO-UHFFFAOYSA-N 396.466 4.545 0 40 GJAB Cc1cc2nc(N)sc2c(C)c1NC(=O)c1ccc(Br)cc1 45888999 QKTHXXQNIUXAET-UHFFFAOYSA-N 376.279 4.510 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1 51315482 GTBGRIIMXKBWSJ-UHFFFAOYSA-N 375.350 4.747 0 40 GJAB C[C@@H](NC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)c1cccc(Cl)c1 65512921 KUXHNVAXYDHVJN-CQSZACIVSA-N 394.862 4.870 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)c(C)c3)oc12 67293433 WRQWHWIIIGOLFV-LCUIJRPUSA-N 399.450 4.938 0 40 GJAB Cc1ccc(C)c(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1 67298029 HXTZCTWEWQIWND-ATJXCDBQSA-N 391.452 4.696 0 40 GJAB C[C@@](O)(CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccc(F)cc1 89900565 SVJBGCQAPJHYIS-JTHBVZDNSA-N 395.499 4.683 0 40 GJAB COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O)cc(OC)c1O 96766291 HHQNQCNSFXXARE-UVTDQMKNSA-N 391.423 4.533 0 40 GJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C)CC2)n1 100739106 RRBUUIJRULOWSN-JYBIWHBTSA-N 392.547 4.708 0 40 GJAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(c1nc3ccc(OC(F)(F)F)cc3s1)C2=O 100870555 FIKPYXNULANZGC-BTDLBPIBSA-N 398.406 4.511 0 40 GJAB Fc1ccc(COc2ccc(C(=S)N3CCCC3)cc2Br)cc1 107649024 TZDMVPSDCKTWFA-UHFFFAOYSA-N 394.309 4.939 0 40 GJAB O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1cc2ccccc2s1 219975261 MZAVPBQCWWIYEQ-UHFFFAOYSA-N 380.903 4.965 0 40 GJAB in-vitro CC(C)(C)c1ccc(OCCNC(=O)c2ccc(Br)cc2)cc1 223374505 BVAKXVVONNNMLO-UHFFFAOYSA-N 376.294 4.555 0 40 GJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1cccc2ccccc12 223544676 IOJPYTYBNUDUNI-SFHVURJKSA-N 385.463 4.956 0 40 GJAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1 224332333 KIBCZJXRKBOAPB-FCHUYYIVSA-N 390.556 4.776 0 40 GJAB COc1ccc(OC[C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1 225342491 BLBZWAPRPSAGAQ-CYBMUJFWSA-N 382.287 4.518 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CCCc2cc(OC)ccc21 225366140 VRRZMMIDTVWDMX-DNQXCXABSA-N 393.527 4.925 0 40 GJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=S)Nc1ccc(Cl)cc1 225466265 LWTUOCNZXMUOOW-UHFFFAOYSA-N 393.299 4.872 0 40 GJAB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2F)CCCC1 225515643 PGYCSNXDWILEAF-UHFFFAOYSA-N 396.506 4.751 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 225518798 LUWMPNOJCKPKGB-OFNKIYASSA-N 394.559 4.568 0 40 GJAB COc1ccc(NC(=S)NCCCSCc2cccc(C)c2)c(OC)c1 225603188 ZWTHEKJNNCPALG-UHFFFAOYSA-N 390.574 4.622 0 40 GJAB S=C(NCCCOC1CCCC1)Nc1ccc(Br)c(Cl)c1 225619805 GMNFPDCNVTZBEH-UHFFFAOYSA-N 391.762 4.738 0 40 GJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225702847 LAHMCZMXEHNJKI-JOCHJYFZSA-N 378.557 4.721 0 40 GJAB Cc1cccc(CCC2(NC(=S)Nc3ccc4c(c3)OCO4)CCCC2)c1 225852316 NQYHLMVUSYXOCR-UHFFFAOYSA-N 382.529 4.956 0 40 GJAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3ccc(OC)cc3)nc2c1 226283731 TVUBISXXHFGZMS-UHFFFAOYSA-N 378.350 4.727 0 40 GJAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cc(OC)cc(OC)c1 408563193 UVBVUJFBYWYMSU-FCQUAONHSA-N 396.512 4.612 0 40 GJAB Cc1ccc(NCN2C(=O)S/C(=C/c3cccc(F)c3)C2=O)cc1Cl 408719047 HVFHFDKQPODBOJ-LZYBPNLTSA-N 376.840 4.893 0 40 GJAB CCn1c(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)nc2cc(C(=O)O)ccc21 581196267 MZHUYILVBWYHGW-QKNQBKEWSA-N 389.499 4.523 0 40 GJAB Cc1ncccc1CN[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 608066220 MBEXDXUHUHUNNF-JOCHJYFZSA-N 380.875 4.694 0 40 GJAB COc1cc(Cl)ccc1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 620716187 AHAIKRVHQFOEHA-UHFFFAOYSA-N 375.255 4.682 0 40 GJAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 666903029 TWIHPWGPRLIIHA-IBGZPJMESA-N 375.472 4.524 0 40 GJAB COc1ccc(-c2ccc(C)c(NC(=O)NCC(C)(C)c3ccncc3)c2)cn1 670064179 DDINQOQUFMSNBX-UHFFFAOYSA-N 390.487 4.560 0 40 GJAB COc1ccc(C(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)c(F)c1 685590714 JKIJTCIEXZFQAP-UHFFFAOYSA-N 375.403 4.710 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc3c(C)cc4cc(C)cc(C)c4n23)c1 929726 BYADYXFWOJYJCR-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccnc1Cl 1093221 WNZVBPYIICLMQO-UHFFFAOYSA-N 398.253 4.683 0 40 GJAB Cc1cccc2cc(CN(C(=O)c3ccccc3F)C3CCCC3)c(=O)[nH]c12 1346713 ICJLQUOUTXWMCS-UHFFFAOYSA-N 378.447 4.561 0 40 GJAB Cc1ccc(C)c(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccco2)c1 1377725 SZKFQMLYXCHMDH-OALUTQOASA-N 383.561 4.769 0 40 GJAB Clc1ccc(-n2ncc3c2ncn2nc(C4CCCCC4)nc32)cc1Cl 2412852 KNHMYYAZCJJZAR-UHFFFAOYSA-N 387.274 4.818 0 40 GJAB CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1 2460126 UGVNAEDCYYSTBZ-WTNGLUPJSA-N 382.907 4.775 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)c1 3221816 DPPMSTXBHMYFKE-QDEBQFNMSA-N 399.446 4.826 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)s2)c(C)c1 3378997 DCACHCSSWIGVIJ-UKRRQHHQSA-N 390.578 4.686 0 40 GJAB Cc1ccc(C(O)(c2ccc(C)cc2)[C@@]2(C)CC[C@@H](C(=O)O)C(C)(C)O2)cc1 3845834 HHUXSSCDXMJTOO-NZQKXSOJSA-N 382.500 4.588 0 40 GJAB biogenic CCC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1ccc(Br)cc1 4078498 ZEBLPMWQWPZKKG-QGZVFWFLSA-N 387.277 4.545 0 40 GJAB O=C(CSc1ccc(-c2ccco2)nn1)Nc1ccc(Cl)c(Cl)c1 4357964 GDDXGVOZOMPASA-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB CCOc1ccc(-c2cnc(NCc3ccc(Cl)cc3)n2CCOC)cc1 4679103 GHACTFKDQSKHEB-UHFFFAOYSA-N 385.895 4.861 0 40 GJAB C[C@@H]1CCCN([C@@H](c2cccc(C(F)(F)F)c2)c2nnnn2C2CCCC2)C1 4968270 RVRVUHIVWNXATC-KDOFPFPSSA-N 393.457 4.628 0 40 GJAB CCSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 5241527 VHLPZSTYXLNDEF-UHFFFAOYSA-N 384.482 4.903 0 40 GJAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cn2ccccc2n1 5253751 DWYVQXDPVRVWSL-QHCPKHFHSA-N 395.418 4.597 0 40 GJAB O=C(C[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc2ccccc12 5722367 XPVRXXHQUZULBI-FQEVSTJZSA-N 386.234 4.559 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(C)n1C1CC1 6128919 LNPHYQBHLKMISQ-UHFFFAOYSA-N 392.528 4.873 0 40 GJAB CC1=C[C@@H]2C(C)(C)C[C@H](O)C[C@]2(C)C[C@@H]1COc1ccc2ccc(=O)oc2c1 6782727 HFRDLQOAYZVZNK-RFZFDZAKSA-N 382.500 4.941 0 40 GJAB C[C@@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(=O)c1ccc(F)cc1 7137698 CWUQIZPKGXTYRA-VXGBXAGGSA-N 390.411 4.851 0 40 GJAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccc(C(C)(C)C)cc1 7217811 SXIGXEFTHXLWCI-HNNXBMFYSA-N 382.529 4.840 0 40 GJAB O=C(COc1ccc(Cl)cc1)Oc1ccc2nc(N3CCCC3)sc2c1 7512890 JLSOUQSIFQMMPR-UHFFFAOYSA-N 388.876 4.534 0 40 GJAB S=c1[nH]ncn1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 7602530 ZNAXSSMQXVSCPR-UHFFFAOYSA-N 381.288 4.570 0 40 GJAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)Cc1ccsc1 8293007 JFPIJJYUEQNUMZ-UHFFFAOYSA-N 378.446 4.565 0 40 GJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 8496885 LXJWVWUKOUGCDY-LJQANCHMSA-N 394.515 4.726 0 40 GJAB Cc1ccc(-n2nnnc2-c2cnc(C(C)C)nc2-c2cccc(Cl)c2)cc1 8702092 PZWJWCYLLYXYPK-UHFFFAOYSA-N 390.878 4.872 0 40 GJAB Cc1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)ccc1Br 10329688 BZOYVWAPHLXLBR-UHFFFAOYSA-N 387.321 4.996 0 40 GJAB Cc1cc(-c2csc(NC(=O)CCc3nc4ccccc4[nH]3)n2)c(C)s1 10894924 AJGHDTQPVNONNT-UHFFFAOYSA-N 382.514 4.936 0 40 GJAB Cc1cc(C(=O)CCC(=O)NCCOc2ccc3ccccc3c2)c(C)s1 10997996 FBTIBPXJPVLZAO-UHFFFAOYSA-N 381.497 4.676 0 40 GJAB COc1ccc(C(=O)Nc2nc3ncccc3cc2-c2ccccc2)c(OC)c1 11695922 NIOSCQHCAQECGQ-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB CCN(Cc1ccccc1)Cc1nc(-c2cccnc2OC2CCCCC2)no1 12365414 QBBVVNOCKWSUAB-UHFFFAOYSA-N 392.503 4.865 0 40 GJAB COc1ccc([C@H](CNC(=O)CCc2ccco2)c2c[nH]c3ccccc23)cc1 12771542 WOTARLNWQDQESA-NRFANRHFSA-N 388.467 4.650 0 40 GJAB Cc1sc2nc(CN3CCC(C)CC3)nc(NCc3ccc(O)cc3)c2c1C 12909767 UGIOKXIAJUPKPB-UHFFFAOYSA-N 396.560 4.858 0 40 GJAB COc1ccc([C@H]2N=C(S)NC3=C2CCCC3=C2SCCS2)cc1 13878967 PXWKXGGIPRMMAL-OAHLLOKOSA-N 376.572 4.755 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccc(C(C)(C)C)cc2)c1 15827782 SMVWEQJZKRUVHT-NRFANRHFSA-N 397.515 4.744 0 40 GJAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(Cl)c2)C1)C1CCC1 19400632 YJEJBOYWILOFSN-SIKLNZKXSA-N 397.950 4.605 0 40 GJAB O=C(C[C@H](Cc1ccc(Cl)cc1)C(=O)O)Nc1cccc(C(F)(F)F)c1 20027329 CXSXIMGCJJPWRN-LBPRGKRZSA-N 385.769 4.631 0 40 GJAB O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccccn1 22927598 OQGMMIBCWSZUAJ-OAQYLSRUSA-N 382.916 4.874 0 40 GJAB CCOc1ccccc1C(=O)Oc1ccc(N(C)C(=O)c2ccc(C)cc2)cc1 25919758 JRFHMCOAMKVSJB-UHFFFAOYSA-N 389.451 4.890 0 40 GJAB Cc1nc(C)c(-c2nnc(SCc3coc(-c4cccc(F)c4)n3)o2)s1 26127321 DWWLCAKDXCXXPD-UHFFFAOYSA-N 388.449 4.896 0 40 GJAB CCOc1ccc(C(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)cc1 32609651 SEOUKCMFTFOTEL-UHFFFAOYSA-N 390.270 4.889 0 40 GJAB COC(=O)c1c(NC(=O)c2c(C)noc2-c2ccccc2)sc2c1CCCC2 32624562 WLNVPUFIMRMAHJ-UHFFFAOYSA-N 396.468 4.629 0 40 GJAB O=C(c1ccccc1SC(F)F)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 32899610 QHHMUOPWUCGXFI-ZDUSSCGKSA-N 387.455 4.897 0 40 GJAB CCOc1ccc(NC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)cc1 33172455 ZBAPCGDOWDMJTH-UHFFFAOYSA-N 392.484 4.549 0 40 GJAB Cc1ccc(-n2nc(-c3cnn(C)c3C)c(C)c2-c2cnn(C)c2C)cc1Cl 36611553 PYASAARHSLOQCA-UHFFFAOYSA-N 394.910 4.560 0 40 GJAB O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)[C@H](CCO)S1 36633826 CPFMZAMZTISOIR-MSOLQXFVSA-N 399.903 4.507 0 40 GJAB CCN(CC)Cc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 39742181 WHSWRNWNULYXPA-UHFFFAOYSA-N 393.575 4.688 0 40 GJAB COc1ccccc1[C@@H](O)CNC(=O)Nc1cc(Cl)c(Cl)cc1Cl 40098561 GIWJIHPJBLXEOM-AWEZNQCLSA-N 389.666 4.511 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)CSCc3c(C)noc3C)cn2)cc1C 40122695 SNVFJBSMUCNHEP-UHFFFAOYSA-N 397.500 4.967 0 40 GJAB Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CS(=O)(=O)C1CCCC1 72085059 VTFFQOJAEAREIK-UHFFFAOYSA-N 391.920 4.611 0 40 GJAB Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72230028 FHYFCXDLTNQRAA-QFIPXVFZSA-N 381.859 4.748 0 40 GJAB Cc1ccc(C)c(OCc2ccc(C(=O)Nc3cc(-c4ccncc4)n[nH]3)o2)c1 72255837 WOHXDMIBJJTHQV-UHFFFAOYSA-N 388.427 4.513 0 40 GJAB COc1ccc2cc([C@H](C)N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc2c1 72304830 UDXGTDVWXHYBLY-KRWDZBQOSA-N 392.474 4.507 0 40 GJAB CCn1cc(CN(C)Cc2cc(-c3ccccc3)cnc2-c2ccncc2)c(C)n1 72343215 LKCYTTSXOYSCKO-UHFFFAOYSA-N 397.526 4.967 0 40 GJAB Cc1cc(C)cc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2)C3)c1 100426403 QYVIOXYHEQXNGG-FGZHOGPDSA-N 391.515 4.651 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc2cc(O)ccc12 108040861 OUCSVRIDRGXMFY-IZZDOVSWSA-N 382.872 4.725 0 40 GJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 118930414 UKIIXHVIHAJCMP-JXSWHOGESA-N 388.548 4.735 0 40 GJAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCCC2)cc1 141554477 PVMMRSLFLYHOIE-UHFFFAOYSA-N 376.422 4.668 0 40 GJAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 222930042 FJRFMOAGZMNIDB-VXKWHMMOSA-N 390.556 4.809 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 222990091 UIUKWLCIGRAUEZ-HXUWFJFHSA-N 382.504 4.628 0 40 GJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1cccc2ccccc12 223544620 IOJPYTYBNUDUNI-GOSISDBHSA-N 385.463 4.956 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccccc1C(C)(C)C 223714805 YLWNKFZYKUMKLW-HXUWFJFHSA-N 383.532 4.954 0 40 GJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)c1 224231778 FKEUXUNEMMFIDJ-NHCUHLMSSA-N 376.529 4.522 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2O1 224470807 LLWUUOFQYNIUNM-HXUWFJFHSA-N 392.499 4.626 0 40 GJAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccccc1 225583383 LWNVUSUHUCIHML-NRFANRHFSA-N 388.914 4.959 0 40 GJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc2c(c1)CCCC2 225635517 MLIMFFOVPKECLT-UHFFFAOYSA-N 381.863 4.541 0 40 GJAB CCc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 225695310 PAIYWTATDCXXNE-SFHVURJKSA-N 386.495 4.921 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C(C)C 225885154 QCFRMASUIMVZME-UHFFFAOYSA-N 387.423 4.947 0 40 GJAB FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCC2)n1 226009406 VMTQWFBEMUYKDC-UHFFFAOYSA-N 396.438 4.907 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1C 244199361 VNTAPYAICBGFJT-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C 408677352 CFFPRJVCDUFTHT-IBGZPJMESA-N 394.515 4.726 0 40 GJAB Cc1noc(C)c1CC(=O)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1 519664727 QFIWPEDNDXRTAI-UHFFFAOYSA-N 394.862 4.524 0 40 GJAB Cc1sc(CCNC(=O)c2cc(C(F)(F)F)ccn2)nc1-c1ccccc1 1136877395 PKFDJOIBAQDVPJ-UHFFFAOYSA-N 391.418 4.505 0 40 GJAB Cc1cc(CN(C)C[C@H](O)CCc2ccccc2)cc(C)c1OCC(F)(F)F 1657028140 KAGLSZRHCIUNFZ-HXUWFJFHSA-N 395.465 4.670 0 40 GJAB CCOc1ccc2nc3sc(C(=O)N[C@H]4CCCC[C@@H]4C)c(N)c3cc2c1 917109 JEEWVPPOYKDLKL-LRDDRELGSA-N 383.517 4.739 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 1364552 AQAXNZFHQOPXOP-UHFFFAOYSA-N 392.528 4.551 0 40 GJAB C[C@@H]1Cc2ccccc2N1c1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 1464755 FPOWSBSBNCWUCY-GFCCVEGCSA-N 390.917 4.712 0 40 GJAB CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 1934911 IYRRMCBNNDQAEK-OIOXUXFSSA-N 382.529 4.747 0 40 GJAB CCCC[C@@](CCC(=O)O)(C(=O)OCC)c1csc(Nc2ccccc2)n1 2196648 BQBLDUOCIMPGKJ-FQEVSTJZSA-N 390.505 4.743 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1ccccn1 2249124 ZBUNFRMQOGODPO-LJQANCHMSA-N 388.810 4.591 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)O)cc1 2273551 GQKWOVRPDLDPNW-HDJSHQJTSA-N 383.447 4.542 0 40 GJAB COc1cccc([C@@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)c1OC 2556195 HSKMFDCQHIEQDI-BJKOFHAPSA-N 390.435 4.606 0 40 GJAB O=C(c1cccs1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 2789253 MXCCKVNOBVHRCN-UHFFFAOYSA-N 377.509 4.536 0 40 GJAB COc1ccc2c(c1)C(c1ccc(F)cc1)=NNC(c1ccc(Cl)cc1)=N2 4168686 NKFZWJCNBWLSFE-UHFFFAOYSA-N 379.822 4.922 0 40 GJAB COc1ccc(-n2nnnc2C2(Nc3ccc(Cl)cc3)CCCCC2)cc1 4565500 NEVDURFZVWMLIN-UHFFFAOYSA-N 383.883 4.596 0 40 GJAB CCCOc1cc(C(=O)OCCN(CC)CC)cc(OCCC)c1OCCC 4768973 WARJSWCUKQGQLL-UHFFFAOYSA-N 395.540 4.552 0 40 GJAB O=C(Nc1ccc(F)c(F)c1)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1 4832129 XKQZMWCZNIPDGW-UHFFFAOYSA-N 388.320 4.748 0 40 GJAB CC(C)/N=C1\S/C(=C/c2ccc(-c3ccccc3C#N)o2)C(=O)N1C(C)C 6324989 IZFLJSDNASOHCJ-ZHUAHHRVSA-N 379.485 4.907 0 40 GJAB O=C(CSc1cccc2cccc(Cl)c12)Nc1ccc2c(c1)OCCO2 6509907 YAKMRTIXIICIQQ-UHFFFAOYSA-N 385.872 4.995 0 40 GJAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1 7112450 CRTAKWNTQKAYSC-QGZVFWFLSA-N 385.464 4.578 0 40 GJAB O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1OCc1cn2ccccc2n1 7318885 GZTGMNKEKHPWOD-JOCHJYFZSA-N 397.478 4.721 0 40 GJAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(OCc2cn3ccccc3n2)cc1 7318903 CGWZKOUWSWVFKG-HSZRJFAPSA-N 397.478 4.721 0 40 GJAB CCc1ccc(-c2noc(CN3CCC[C@H]3c3cc(OC)ccc3OC)n2)cc1 7718693 NDSLCVGAUCLPLO-FQEVSTJZSA-N 393.487 4.653 0 40 GJAB COc1ccc(-c2noc(CN(C(=O)c3ccccc3)C3CCCCC3)n2)cc1 7720099 LYWONKPFHRUAEY-UHFFFAOYSA-N 391.471 4.720 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 8156298 HMRHJLLDRCIBOR-NMQRCDEWSA-N 395.499 4.870 0 40 GJAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 8393793 LBRNWZUDKRZESP-UHFFFAOYSA-N 386.860 4.811 0 40 GJAB CCOc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCc1cccs1 8710871 NXERRECHGNNOKS-FQEVSTJZSA-N 380.469 4.580 0 40 GJAB CC(C)c1cc(C(=O)Nc2ccc(Cl)cn2)nn1-c1nc2ccccc2s1 12223583 JJCTXQHAAYTMSM-UHFFFAOYSA-N 397.891 4.906 0 40 GJAB Cc1c(C)c(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)c(C)c1C 12511130 NKJDAPOTGQWNTK-QFIPXVFZSA-N 394.540 4.692 0 40 GJAB COc1ccc2c(CC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)coc2c1 12568464 QDLISZUNHMIMIT-GOSISDBHSA-N 392.480 4.957 0 40 GJAB Cn1c(C[C@@H](NC(=O)c2cc(F)cc(F)c2)c2ccccc2)nc2ccccc21 12628970 WMKREJOJTHRRAZ-HXUWFJFHSA-N 391.421 4.565 0 40 GJAB COc1ccc2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)c(C)nc2c1 12694916 NIVQDQXDRORSHW-UHFFFAOYSA-N 375.472 4.794 0 40 GJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3c4ccccc4C[C@@H]3C)c12 12735961 DBYMWQMVHBBPRG-ZDUSSCGKSA-N 387.414 4.929 0 40 GJAB Cc1cc(=O)c(C(=O)Nc2ccccc2-c2ccccc2)nn1-c1ccccc1F 12777806 KABBRAOPRMKOTC-UHFFFAOYSA-N 399.425 4.599 0 40 GJAB CN(Cn1nc2ccccn2c1=S)[C@@H](c1ccccc1)c1ccc(F)cc1 12819828 VTPBOOAKTTUWDF-FQEVSTJZSA-N 378.476 4.683 0 40 GJAB Cc1cc(C)c(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c(C)c1 12875865 RYRLFRBWDFZEIG-UHFFFAOYSA-N 394.515 4.724 0 40 GJAB Cc1cc2occ(CC(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c2cc1C(C)C 12902009 PKKGCCSOWUXQTP-CQSZACIVSA-N 392.455 4.765 0 40 GJAB CC[C@H](C)Cn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 13807256 WWQLNDMYYBVNLM-IRXDYDNUSA-N 377.488 4.612 0 40 GJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Oc2ccccc2)c1 14093344 ABZHVDPARQONNS-UHFFFAOYSA-N 386.495 4.873 0 40 GJAB O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccccc1Br 16092718 CZJYTMWMEQWGGW-UHFFFAOYSA-N 382.062 4.524 0 40 GJAB Cc1cccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c1C 17251506 BUMTVNHRVFIAIM-UHFFFAOYSA-N 386.521 4.560 0 40 GJAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1Nc1ccccc1 18113868 VCDZWOTXDLWVDZ-UEQSERJNSA-N 394.474 4.752 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 18204720 MMVCSKZALNEQFG-CHWSQXEVSA-N 379.909 4.715 0 40 GJAB COc1ccc2c(CSc3nccn3-c3cccc(Cl)c3)cc(=O)oc2c1 21422258 YLSUCWQDRDEVIK-UHFFFAOYSA-N 398.871 4.933 0 40 GJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1nc(-c2ccccc2)no1 22762358 YYEXIJMRTSDLQV-UHFFFAOYSA-N 390.270 4.635 0 40 GJAB Cc1cc(CN(C)C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)no1 25138706 XDCNIZIOCYIZTK-UHFFFAOYSA-N 379.441 4.639 0 40 GJAB Cc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(Oc2ccccn2)cc1 26769400 YSRUAFLETORYCJ-UHFFFAOYSA-N 375.833 4.603 0 40 GJAB O=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)N1CCCCCC1 27694324 NKMLISZWBRWNRO-UHFFFAOYSA-N 381.907 4.683 0 40 GJAB Cc1ccc(NC(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1 27921115 HPJGXRHBLMCSRB-UHFFFAOYSA-N 385.265 4.646 0 40 GJAB CCOc1ccc(-c2nc(-c3cccc(NC(=O)C4CCCC4)c3)no2)cc1 28221885 QODKJQGTMPVQAP-UHFFFAOYSA-N 377.444 4.931 0 40 GJAB C[C@@H](NC[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2)c1ccccc1 28296800 GSUDRDNINUXOFS-SJLPKXTDSA-N 382.935 4.885 0 40 GJAB C[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1ccc(Cl)cn1 28367941 PNZVGMBCUKEBJQ-ZDUSSCGKSA-N 387.867 4.606 0 40 GJAB O=C(O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccccc3)cc12 28580294 DUFNYJCJWVVWCI-UHFFFAOYSA-N 393.420 4.599 0 40 GJAB CCn1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(OC)c2)c2ccccc21 40049276 WFHUGVMHYAPDRQ-LJQANCHMSA-N 378.472 4.656 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)NCC(=O)Nc1ccc(F)c(F)c1 43170966 CYSBNSDSYSSEHW-UHFFFAOYSA-N 389.446 4.972 0 40 GJAB Cc1ccc(-c2noc([C@@H](C)OC(=O)c3cc(C)n(C4CC4)c3C)n2)cc1F 48300216 WCPVIUCLCRAKEV-CQSZACIVSA-N 383.423 4.855 0 40 GJAB CC(C)(C)OC(=O)NCCCC(=O)c1ccc(SC2CCCCC2)nc1 72217225 VRJOOFRNNVQIRX-UHFFFAOYSA-N 378.538 4.994 0 40 GJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc(N2CCCC2)ncc1Cl 72277160 ANACECSEBDFWQV-PKOBYXMFSA-N 398.938 4.529 0 40 GJAB Cc1cccc(NC(=O)N[C@H]2CCC[C@H](OC(=O)Nc3ccc(F)cc3)C2)c1 77200384 NNHBDYKSVSWGKZ-OALUTQOASA-N 385.439 4.816 0 40 GJAB CCCOc1ccc([C@@H](C)NC(=O)C(F)(F)c2ccccn2)cc1OCCC 89960335 LSTBDCRKECQWPS-OAHLLOKOSA-N 392.446 4.628 0 40 GJAB Cc1csc(SCC2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)n1 90608144 AXUPCHZELGOEAW-UHFFFAOYSA-N 395.981 4.819 0 40 GJAB O=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccc(Cl)c(Cl)c1 96119795 FMKOSSZJZMMAKH-UHFFFAOYSA-N 380.252 4.809 0 40 GJAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1F 98072701 DVEGMOAOKUQHTP-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@@H](C)C2 101835901 WQQWVBYKBCAENQ-HOSILWTGSA-N 375.534 4.813 0 40 GJAB Cc1ccc2[nH]c(SCc3ccc(I)cc3)nc2c1 105868020 KSULVLOEFIMRJO-UHFFFAOYSA-N 380.254 4.768 0 40 GJAB C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)c1cc(F)ccc1F 106587558 YBCSAVLFTBMDPO-SNVBAGLBSA-N 379.819 4.562 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 170564443 YIAILHRGIBVJDN-UHFFFAOYSA-N 382.851 4.751 0 40 GJAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1 218934915 KCWIMAYBEDHGOB-IBGZPJMESA-N 385.504 4.648 0 40 GJAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 225152094 NXCCLYLUOPNCLN-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB COc1cccc(CCCNC(=S)Nc2ccc(Br)cc2F)c1 225553916 CXVSNFIYMNDWFK-UHFFFAOYSA-N 397.313 4.516 0 40 GJAB Cc1ccccc1-c1noc(CCC(=O)NC(c2ccccc2)c2ccccc2)n1 225817003 MEOHADRWXSMOJL-UHFFFAOYSA-N 397.478 4.883 0 40 GJAB CCO[C@@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCC[C@@H](C)C1 225831502 FIHGGMBYMASEJW-MCFFVMPBSA-N 391.508 4.574 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccccc3C)CCCC2)c1 225863152 GXTOFSZQDJQJRG-UHFFFAOYSA-N 382.529 4.928 0 40 GJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 409330217 JWJHAAOFWBQDBL-WQRHYEAKSA-N 385.872 4.822 0 40 GJAB O=C(C[C@H](c1ccsc1)n1cccc1)N1CCc2c([nH]c3ccccc23)C1 524730332 FMUPUGCMCNCKGZ-OAQYLSRUSA-N 375.497 4.595 0 40 GJAB biogenic Cc1ccc(-c2nc(C(=O)N3CCCC[C@H]3c3cnn(C)c3)cs2)c(C)c1 585081234 SKEPMNUPVUFNCW-IBGZPJMESA-N 380.517 4.528 0 40 GJAB CC1=CCC[C@]2(C)O[C@@H]2[C@H](O)[C@H](C(C)C)[C@H](OC(=O)/C=C/c2ccccc2)C1 585660639 JBAYXBWJNDAHDZ-STRWCNHNSA-N 384.516 4.532 0 40 GJAB biogenic,in-vitro O=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(F)(F)F 1754104 ARLQNELCTMFCSF-UHFFFAOYSA-N 377.149 4.974 0 40 GJAB O=C(Nc1nnc(C2CC2)s1)c1ccccc1OCc1ccccc1Cl 3444090 CGFWCUMVHUGCDV-UHFFFAOYSA-N 385.876 4.900 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2ccc3c(Br)cccc3c2)cc1 4666670 JALRBFNEMLRBGN-UHFFFAOYSA-N 377.259 4.678 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(CSc2ccccc2)cc1 4741063 DBMCFJDBEFIREQ-UHFFFAOYSA-N 377.465 4.638 0 40 GJAB Cc1ccc(S(=O)(=O)NCC[C@@]2(CCC(C)C)CCOC(C)(C)C2)cc1 5498865 XBLBAVZGIYJKRW-NRFANRHFSA-N 381.582 4.675 0 40 GJAB COc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC 5616767 YGEXAAYPVQHVNO-LLVKDONJSA-N 384.259 4.725 0 40 GJAB O=C(Nc1cc(C(=O)c2ccccc2C(=O)O)ccc1Cl)c1cccs1 5771829 FWIXVULZMGRWLP-UHFFFAOYSA-N 385.828 4.583 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Sc2cccc[n+]2[O-])c2ccccc2)cc1Cl 6846370 QPZBMKQPBBFVMM-IBGZPJMESA-N 384.888 4.754 0 40 GJAB CCN(CC)Cc1ccc(NC(=O)c2cc(Br)ccc2OC)cc1 6949701 ORTNXOLSWBPFRJ-UHFFFAOYSA-N 391.309 4.552 0 40 GJAB Cc1nc(SCC(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)n(C2CCCC2)c1C 7031028 YQZIOIGHTXLFNY-LBPRGKRZSA-N 383.517 4.646 0 40 GJAB Cc1ccc(Nc2nc(CSc3nnc(NC4CC4)s3)cs2)cc1 7304962 CCQOUSKKPQCHIE-UHFFFAOYSA-N 375.548 4.913 0 40 GJAB O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccccc1F 7573182 NLXIPZYWLRSMHS-UHFFFAOYSA-N 376.435 4.525 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1ccccc1Cl 8041480 JGFHEIISQKPERW-KRWDZBQOSA-N 393.936 4.556 0 40 GJAB CC(=O)c1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCCC2)cc1 8165874 BGPVCMATJRPWKQ-UHFFFAOYSA-N 385.895 4.584 0 40 GJAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(N4CCCCCC4)cc3)cc2NC1=O 8341928 FFQZTCRORIMCTD-HNNXBMFYSA-N 395.528 4.752 0 40 GJAB Cc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1C 8707561 CCOUVXHECOERJY-UHFFFAOYSA-N 389.377 4.944 0 40 GJAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 9694931 FMFJIYXNDKGAIW-UHFFFAOYSA-N 384.206 4.954 0 40 GJAB COc1ccc(NC(=O)[C@@H](Sc2ccc(C(F)(F)F)cn2)C(C)C)cc1 10535999 PZJZSRXNERKEMB-INIZCTEOSA-N 384.423 4.864 0 40 GJAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 11247522 BJPVDITZQZWHTE-UHFFFAOYSA-N 391.402 4.907 0 40 GJAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NCc1ccccc1 11865772 ZLBJAUGMCNEHON-UHFFFAOYSA-N 377.296 4.976 0 40 GJAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)[C@@H](C)c3ccccc3)cc2)on1 12158900 LKZDEBUJFQHVNS-KRWDZBQOSA-N 398.466 4.527 0 40 GJAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccc3c(c2)OCO3)cc1C 13135229 GSOKQDXXQXYBGR-UHFFFAOYSA-N 378.453 4.831 0 40 GJAB O=C(C1CCCC1)N1CCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21 13695030 FSRDNZCGTYQTPV-UHFFFAOYSA-N 392.543 4.921 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCc4ccccc4C3)c12 14203509 XCZVWJDYKZRIJI-UHFFFAOYSA-N 387.414 4.536 0 40 GJAB CC(C)n1ncc2cc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)cnc21 14711649 RXYNUXPBHSVNCY-UHFFFAOYSA-N 397.910 4.908 0 40 GJAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1 16750365 OEGRWGXEAPJMOR-KRWDZBQOSA-N 398.256 4.511 0 40 GJAB Oc1nc(SCc2ccc(Cl)c(Cl)c2)nnc1Cc1ccccc1 16777156 PLOAANQOPKRIAZ-UHFFFAOYSA-N 378.284 4.767 0 40 GJAB CCCC(=O)N1N=C(c2ccc(C)c(C)c2)Sc2c1nc(C)n2C(=O)CCC 16777264 OTJOCHTYDJYQAW-UHFFFAOYSA-N 398.532 4.849 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)ccc1Cl 20485318 XYRRYXYOTLCMPW-GOSISDBHSA-N 389.879 4.930 0 40 GJAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc3ccccc13)SCC(O)=N2 20732328 QPTFGAHTOOLGPI-LJQANCHMSA-N 387.468 4.548 0 40 GJAB O=C(CCCn1c(=O)oc2ccccc21)N(Cc1ccccc1)c1ccccc1 21247935 UKXPUVUWYQODQB-UHFFFAOYSA-N 386.451 4.608 0 40 GJAB CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCCC3)c(O)n2n1 22853003 INFZZKISHSARFM-AWEZNQCLSA-N 397.331 4.551 0 40 GJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 23058382 SHXIOOCEDGUAGU-CQSZACIVSA-N 384.863 4.655 0 40 GJAB Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)c2c(C)nn(-c3ccccc3)c2n1 27985281 SXRLHOXDMYBASQ-MRXNPFEDSA-N 382.467 4.629 0 40 GJAB Cc1ccc2c(c1)CCCN2C(=O)CCC(=O)c1ccc(Br)cc1 30997175 LSAPHEZSNLGTLW-UHFFFAOYSA-N 386.289 4.700 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1 40488462 CQUAAICZGFNEJT-NSHDSACASA-N 388.826 4.942 0 40 GJAB O=C1Nc2ccccc2Oc2ccc(NC(=O)C3(c4ccc(F)cc4)CC3)cc21 49508281 OIQIRQXDXBIWBT-UHFFFAOYSA-N 388.398 4.854 0 40 GJAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](C)C4)cc3)cc12 57712686 FWEOOLXQCRBINC-MRXNPFEDSA-N 375.516 4.993 0 40 GJAB COc1ccc(Sc2ccc(NC(=O)[C@@H](C)n3ccnc3)cc2Cl)cc1 58004851 YBZIAOFKFKCOFG-CYBMUJFWSA-N 387.892 4.896 0 40 GJAB O=C(NCc1sccc1Br)c1cccnc1SC1CCCC1 58768141 VBRGRWMWXQCIPZ-UHFFFAOYSA-N 397.363 4.870 0 40 GJAB O=C(/C=C/c1ccsc1)N1CCc2[nH]c3c(Br)cccc3c2C1 65477196 ZZLBFXMPDAAPFB-SNAWJCMRSA-N 387.302 4.590 0 40 GJAB CCCOc1ccc(Cl)cc1NC(=O)NCc1cccc(CN(C)C)c1 71942157 CJBRQCFSHUVNEW-UHFFFAOYSA-N 375.900 4.512 0 40 GJAB COc1cccc(NC(=O)c2sc(-c3cnccn3)nc2-c2ccccc2)c1 71971865 ORODRDXAWJNKOB-UHFFFAOYSA-N 388.452 4.528 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccnc(Cl)c1)CC2 72276949 WIIZDNMWEJJIHW-QHCPKHFHSA-N 394.902 4.900 0 40 GJAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2Cc2ccc3ncccc3c2)c1 72380354 LCNKBHRFTCTAFL-HSZRJFAPSA-N 384.483 4.971 0 40 GJAB CCc1ccc2nc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)sc2c1 83825559 AMWSLYMSSOCWRQ-GDBMZVCRSA-N 385.489 4.572 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 103718787 HTNCQIQYMXTEAI-LBPRGKRZSA-N 396.796 4.659 0 40 GJAB COc1ccc(OCc2cc(C(=O)Nc3c(F)cccc3F)ccc2OC)cc1 224266068 KQOGQGLMJNRRDQ-UHFFFAOYSA-N 399.393 4.813 0 40 GJAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224439499 DYNURZRFJRRQDZ-VQTJNVASSA-N 380.492 4.780 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)[nH]1 224455112 ZBYAFCZDBRJKOE-RTBURBONSA-N 382.920 4.857 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)CCc1c(Cl)cccc1Cl 225354975 JCLVNPXATLBBGN-UHFFFAOYSA-N 388.298 4.737 0 40 GJAB CC(C)C[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 225494758 BPAXJVZTKQJHNW-HXUWFJFHSA-N 381.545 4.887 0 40 GJAB O=C(Nc1c(F)cccc1F)C1CCN(Cc2ccc(Cl)cc2F)CC1 225580998 ZOHPOKMRASRAQX-UHFFFAOYSA-N 382.813 4.608 0 40 GJAB CC[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(C)c(C)c1 225712353 BGTKHPJPTOXKSV-HXUWFJFHSA-N 381.545 4.868 0 40 GJAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)c1 226860993 VLQKBTCELVKPIB-UHFFFAOYSA-N 399.940 4.694 0 40 GJAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 244311250 XDNHDBQBVJHVGA-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB COc1ccccc1-c1ccc(CC2(C(=O)NC3CCCC3)CCOCC2)cc1 257204262 ATTDEIMRJLSXML-UHFFFAOYSA-N 393.527 4.760 0 40 GJAB Cc1cc(-c2c(C)noc2C)nc([C@H]2CCCCN2C(=O)c2cccc(F)c2)n1 257216947 CWUFWDGNGQQOCS-LJQANCHMSA-N 394.450 4.563 0 40 GJAB Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N1CCc2ccccc2C(C)(C)C1 665827719 JFOMRJPVQOXXHB-UHFFFAOYSA-N 393.531 4.501 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2c(F)cccc2F)N1c1cccc(F)c1 1615156596 KUENMQAIDWKKPH-OALUTQOASA-N 388.433 4.766 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)CCc3ccc(F)cc3)CC[C@@H]2N1c1ccc(F)cc1 1615158516 NFZKCGPCULZODU-GCJKJVERSA-N 398.497 4.803 0 40 GJAB Cc1cccc(CN2CCc3nc[nH]c3[C@H]2c2ccccc2)c1Br 1648382480 OLTUVBHZCPBVLQ-HXUWFJFHSA-N 382.305 4.628 0 40 GJAB COc1cccc(NC(=O)[C@]23CC[C@](C)(c4nc5ccccc5nc42)C3(C)C)c1 1020378 QBTSPCMQWRGXCW-RPWUZVMVSA-N 387.483 4.606 0 40 GJAB COc1ccc(-c2cc3nc4c(c(NCc5cccc(F)c5)n3n2)CCC4)cc1 1340956 JMUGUUMIKJLKQG-UHFFFAOYSA-N 388.446 4.645 0 40 GJAB Cc1ccc2c(SCC(=O)NC(C)(C)C)nc(-c3ccc(F)cc3)nc2c1 1367703 AWVMIHFRNQUSQX-UHFFFAOYSA-N 383.492 4.751 0 40 GJAB COc1cc(SC)ccc1C(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 1432320 ZOWHEGPQJUPIKZ-UHFFFAOYSA-N 380.513 4.707 0 40 GJAB CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccccc1OC 2330596 MVVCVZLHCQRBFK-LJQANCHMSA-N 380.469 4.555 0 40 GJAB CC(C)(C)c1ccc(C(=O)Oc2ccc(I)cc2)cc1 3012219 PPOXXFZOINYKEJ-UHFFFAOYSA-N 380.225 4.808 0 40 GJAB O=C(NC(=S)Nc1nc(-c2cc3ccccc3o2)cs1)c1ccccc1 3196909 XWEVTWQKCYUJOM-UHFFFAOYSA-N 379.466 4.683 0 40 GJAB CCc1nnc(NC(=O)CCN2c3ccccc3Sc3ccccc32)s1 3272050 NCGYOWBZQGUWSG-UHFFFAOYSA-N 382.514 4.732 0 40 GJAB COc1ccccc1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 4070815 OSMZYAPAFRKOLH-UHFFFAOYSA-N 395.303 4.895 0 40 GJAB Cc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(Cl)s3)sc2c1 4359101 ORXIFCSZLILJJA-UHFFFAOYSA-N 379.938 4.528 0 40 GJAB Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4C5CC6CC(C5)CC4C6)[C@@H]3C2=O)c1 4863186 UESZGMALBGUBGC-VFUJTHICSA-N 385.507 4.669 0 40 GJAB O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccccc2)N1CCc1ccccc1 5342307 XBEZHDSLNNPXJR-DEOSSOPVSA-N 395.462 4.570 0 40 GJAB CCOc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OCC 6207221 WNHRXXZCDJNFHX-UHFFFAOYSA-N 386.355 4.654 0 40 GJAB CCCCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OCC)cc3s2)cc1 6323348 DWHQGUFIFOOPQR-UHFFFAOYSA-N 398.484 4.904 0 40 GJAB COc1ccc(-c2csc(NC(=O)COc3ccc4ccccc4c3)n2)cc1 6341662 TXDKDKOJZMBFAH-UHFFFAOYSA-N 390.464 4.989 0 40 GJAB COc1ccc(CSc2nc3sccc3c(=O)n2-c2ccccc2)cc1F 6907474 HPXZMFXTEKQAJH-UHFFFAOYSA-N 398.484 4.887 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)CCc3cccs3)cc2)cc1 7518362 ONQAXZXYUKDDMX-UHFFFAOYSA-N 380.469 4.580 0 40 GJAB Cc1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1C1CC1 7617627 LFXDZAGTFKBBAH-SFHVURJKSA-N 382.464 4.533 0 40 GJAB Cc1ccc(C)c(N2C[C@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)c1 7928917 HDWBJFNDZINZAX-JOCHJYFZSA-N 399.490 4.853 0 40 GJAB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccc(Br)o3)S2)c1 8410942 NFMLNAXTOCFPTP-JYRVWZFOSA-N 377.263 4.741 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSCc1cc(C)no1 9883987 KDFGHXFQGJBQQC-UHFFFAOYSA-N 388.411 4.663 0 40 GJAB COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1F 12818436 DCTBDKGGQIQFIX-UHFFFAOYSA-N 382.416 4.634 0 40 GJAB CCSc1ccccc1C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 12901162 IVQSSUXBQILJLC-UHFFFAOYSA-N 383.513 4.542 0 40 GJAB CC(=O)c1ccc(NC(=O)CCn2ccc3ccc(Br)cc32)cc1 13732977 CUZDCTSKTDBBQN-UHFFFAOYSA-N 385.261 4.635 0 40 GJAB Cc1ccc(-c2ccc(/C=C3\SC(=O)N(C)C3=O)o2)c(Br)c1 13880996 IFZXUYAKRBHVGK-ZSOIEALJSA-N 378.247 4.684 0 40 GJAB CCCCCCOc1ccc(/C=C/C(=O)Nc2nnc(CC)s2)cc1OC 17028139 DIERZRUWEKSTRR-ZRDIBKRKSA-N 389.521 4.720 0 40 GJAB Cc1c(CN2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)cnn1C 19690494 LEAJRSLOJFEJBU-UHFFFAOYSA-N 394.950 4.747 0 40 GJAB O=C(c1nccc2ccccc12)N1CCCCC[C@H]2N[C@H](Cc3ccccc3)C[C@@H]21 19712931 BBMLNTKULWSTSX-JRFVFWCSSA-N 399.538 4.593 0 40 GJAB Cc1c(C(=O)Nc2ccc(Cl)cc2)nnc2c(-c3ccc(Cl)cc3)cnn12 19817001 WTUDNKYMMYVJRF-UHFFFAOYSA-N 398.253 4.659 0 40 GJAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CCc2ccccc2F)[C@H]3CCC1 20407726 YTYAVJOYIIGHRM-QFIPXVFZSA-N 376.475 4.941 0 40 GJAB COc1ccc(-c2csc3nc(C)nc(Sc4nccn4C)c23)cc1OC 22341930 LTCUXUROYLHGIQ-UHFFFAOYSA-N 398.513 4.569 0 40 GJAB COc1cc(OC)c(NC(=O)Cc2nc(-c3cccs3)oc2C)cc1Cl 22967109 WSDUCRQGWJTUBG-UHFFFAOYSA-N 392.864 4.563 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H]3c3ccncc3)o2)cc1C 27280347 NTEZBJZGPKXDMF-HXUWFJFHSA-N 375.472 4.650 0 40 GJAB COc1ccc(/N=c2\oc3ccccc3cc2-c2nnc3n2CCCCC3)cc1 27526446 IZGVAGXHIQDLTJ-VHXPQNKSSA-N 386.455 4.659 0 40 GJAB O=C(N[C@@H]1CCSc2ccccc21)c1cnn(-c2ccccc2)c1C1CC1 32339357 BHMZTIPWQKLFGS-LJQANCHMSA-N 375.497 4.717 0 40 GJAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1cc(F)ccc1F 32609762 PVAQPUGNMLQREB-UHFFFAOYSA-N 393.796 4.871 0 40 GJAB COc1ccc(NC(=S)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)cc1 35314258 FVLRBGPFBYKGMJ-UHFFFAOYSA-N 398.507 4.526 0 40 GJAB Cc1cc(C(=O)Nc2ccc(F)c(F)c2)c2c(C)nn(-c3ccccc3)c2n1 36611699 BYOSSCFNUOWRPE-UHFFFAOYSA-N 378.382 4.568 0 40 GJAB CC(C)(NC(=O)CCc1nc2ccccc2o1)c1ccc(Br)cc1 40093603 VOYKWPRYWNPLTC-UHFFFAOYSA-N 387.277 4.574 0 40 GJAB CC(C)[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N1CCCC[C@H]1C 42944758 HQKCUOQSTQXDRT-RDTXWAMCSA-N 398.532 4.736 0 40 GJAB CCOc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3cc(C)no3)s2)cc1 48326302 FLCNHZPSUKISRB-KRWDZBQOSA-N 397.500 4.791 0 40 GJAB Clc1cccnc1SCc1nc(-c2cc(Br)cs2)no1 48682285 QTQDOIIIBQYVCH-UHFFFAOYSA-N 388.699 4.901 0 40 GJAB NC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1 57327626 URVXPSIJDCBHOU-DUXPYHPUSA-N 394.574 4.880 0 40 GJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 77200171 JQVSXLLBIZFWRS-ZWKOTPCHSA-N 378.428 4.723 0 40 GJAB CCOc1ccc(-c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1OC 85384500 LTJJNTXZLCAICZ-UHFFFAOYSA-N 381.476 4.756 0 40 GJAB Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H]1CCCC[C@@H]1OCCC(C)C 89548265 JCPAMNVCOYFEIJ-HKUYNNGSSA-N 390.549 4.744 0 40 GJAB CC(=O)c1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1Cl 96008702 LTTMQUZPEZVLJW-UHFFFAOYSA-N 375.900 4.583 0 40 GJAB Cc1ccc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)s1 96038247 YFLOPGMFYJLXJF-UHFFFAOYSA-N 389.528 4.541 0 40 GJAB Clc1ccc(C2=C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1 100834936 YHSBPJJYYPNROD-INIZCTEOSA-N 387.668 4.750 0 40 GJAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(F)cc4)c(C)s3)C(=O)[C@@H]21 100965679 MXZBUTLPJRKJDV-LMSBXDPUSA-N 396.487 4.739 0 40 GJAB CC(C)/N=c1\ccccn1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 102197725 ZQJSUTOHFLUHKJ-ZVHZXABRSA-N 376.300 4.523 0 40 GJAB CC(C)c1ccc(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 102413008 UNLCFACZEACGQR-KILAXVPQSA-N 389.923 4.870 0 40 GJAB C[C@@H]1CCc2nc3sc(C(=O)Nc4cccc5ncccc45)c(N)c3cc2C1 215673965 LOGDSJBOGRMNFX-GFCCVEGCSA-N 388.496 4.804 0 40 GJAB CCOc1ccc(CNC(=O)CCc2cccc3ccccc23)cc1OCC 222671266 CHOMBIKUSLNMJY-UHFFFAOYSA-N 377.484 4.886 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc2ccccc12 222879137 HGHHFZJZWJPCMU-CQSZACIVSA-N 384.273 4.686 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCOc2ccc(Cl)cc2)cc(C)c1Cl 224137631 FMOPPSCMFDUZNL-CQSZACIVSA-N 382.287 4.573 0 40 GJAB CCCC[C@H](CC)CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 225121863 DIJQQHDPXIUNRV-SWEXZPIWSA-N 384.545 4.852 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1Cl 244217009 VXOPZWJXQKMQFM-UHFFFAOYSA-N 389.860 4.942 0 40 GJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cl)cn1 408574397 QDWNWJXOSHWQRK-DHZHZOJOSA-N 383.860 4.521 0 40 GJAB O=C(N[C@H](c1ccccc1)C(F)F)N1CCC2(C=Cc3ccccc3O2)CC1 667139477 KNQPOARNHXMIMC-LJQANCHMSA-N 384.426 4.643 0 40 GJAB CC(=O)N[C@@H]1C[C@H](c2cccc(-n3nc(C)cc3C)c2)OC2(CCCCC2)C1 1848354266 ODRBFQNZWFBHGT-IFMALSPDSA-N 381.520 4.548 0 40 GJAB COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)c2ccccc2)cc1 938259 ZNNAGOJYHJWUHM-UHFFFAOYSA-N 386.403 4.730 0 40 GJAB CC(=O)c1ccc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)cc1 1223906 TTXZDPSGVCRGAL-UHFFFAOYSA-N 375.453 4.795 0 40 GJAB COc1ccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)cc1 1327075 JGXUYXLIKWLDOK-UHFFFAOYSA-N 383.542 4.881 0 40 GJAB COc1ccc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)cc1 1342486 TZIKCGJMOSUVOG-UHFFFAOYSA-N 381.501 4.667 0 40 GJAB O=C(c1cccc(F)c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363773 ZOTYINPJIHBOOL-OAHLLOKOSA-N 385.826 4.549 0 40 GJAB O=CNc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1 1405108 AHXBWYZEDLELJL-UHFFFAOYSA-N 380.860 4.885 0 40 GJAB Clc1cccc(-n2cc(-c3ccccc3)c3c(N4CCOCC4)ncnc32)c1 1447626 DVJGGMORWMEKGG-UHFFFAOYSA-N 390.874 4.578 0 40 GJAB Fc1ccc(-n2ncc3c(SCCCOc4ccccc4)ncnc32)cc1 1891261 ZPTBFLWHZRJYML-UHFFFAOYSA-N 380.448 4.516 0 40 GJAB Cc1ccc(C)c(OC(=O)c2cc3cc(Br)ccc3oc2=O)c1C 1926045 KMKTYNDMNAQKNO-UHFFFAOYSA-N 387.229 4.700 0 40 GJAB COc1ccccc1-c1c(NC(=O)c2ccc(C)cc2)n(C)c2ccccc2c1=O 2237706 RYTKSZPWVQGQRD-UHFFFAOYSA-N 398.462 4.775 0 40 GJAB CC(=O)N(C)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 2309752 QWAPGDMONWDGNI-UHFFFAOYSA-N 383.835 4.538 0 40 GJAB Cc1cccc(N[C@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)c1 3111576 PVDVOVUGHHSYJG-OAHLLOKOSA-N 375.658 4.672 0 40 GJAB O=C(O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)C1CC1 3240563 CPGMAFSAFOVJLW-MRXNPFEDSA-N 397.780 4.992 0 40 GJAB CN1C(=O)/C(=C\c2ccccc2OC(F)F)c2cc(Br)ccc21 3311220 FYFXWQKHMLBIKP-JYRVWZFOSA-N 380.188 4.568 0 40 GJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc(C)cc2)cc1 4854126 JOQDHTFSKNHSBS-WIOPSUGQSA-N 398.462 4.756 0 40 GJAB Cc1ccc2nc(-c3cccnc3SCC(=O)N3C[C@H](C)C[C@@H](C)C3)[nH]c2c1 4903337 YZTZQMGFMBTVGE-HZPDHXFCSA-N 394.544 4.530 0 40 GJAB CC(=O)Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 5017441 JPPUBVPQIIRAQF-UHFFFAOYSA-N 380.256 4.814 0 40 GJAB CCCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccccc1 6810766 RHDGOSHVEROEQC-UHFFFAOYSA-N 383.502 4.759 0 40 GJAB O=C(Cc1c(Cl)cccc1Cl)NC[C@@H](c1cccs1)N1CCCC1 7687051 YXLFCEZYBPCYHO-INIZCTEOSA-N 383.344 4.551 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7882493 IUBPPZIRTNVEJD-HXUWFJFHSA-N 386.495 4.956 0 40 GJAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)ccc2c1 7926668 IFEWBDPHVJXNEI-INIZCTEOSA-N 390.483 4.510 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(OCc3ccccc3)cc2)c1C 8067202 CHWTWNPCUFOHDG-UHFFFAOYSA-N 377.440 4.675 0 40 GJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1 8273713 ZIOYZYYJWFSDCT-UHFFFAOYSA-N 377.488 4.667 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(C)cc1 8496923 VPUUXJHYFQVNLS-LJQANCHMSA-N 377.937 4.855 0 40 GJAB O=C(Nc1cccc(Cl)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 8582787 HJFNPGKSKPGXRW-UHFFFAOYSA-N 396.878 4.553 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1C[C@H]1c1ccccc1Cl 10303524 XCDKRWLYGFIIGT-PMACEKPBSA-N 393.918 4.622 0 40 GJAB Cc1ccc(CCC(=O)N2CCCc3c(C(=O)NC(C)C)cccc32)cc1Cl 11116596 YOALGJZSSSUGFX-UHFFFAOYSA-N 398.934 4.699 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 11916778 UEEDJSXXNQZCJN-UHFFFAOYSA-N 396.418 4.998 0 40 GJAB CC(C)n1ncc2cc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cnc21 12797534 MNESMHNKHBVKPX-UHFFFAOYSA-N 399.426 4.666 0 40 GJAB CSc1nc(-c2cccs2)nc(C)c1C(=O)N[C@H](C)c1ccc(F)cc1 12814109 NJDXJCUNSBLWEY-LLVKDONJSA-N 387.505 4.866 0 40 GJAB Cc1ccccc1[C@@H](C)NC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 13007129 UBSCROCAWRCRGZ-VGOFRKELSA-N 382.504 4.914 0 40 GJAB CCCCCn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21 13031054 MZWXSFZXOVNJCB-UHFFFAOYSA-N 379.504 4.598 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(c2c(F)cccc2Cl)=NO1 13961069 FHJNAMKBZOMWTD-CQSZACIVSA-N 387.625 4.918 0 40 GJAB COc1ccc([C@H]2CCCCCN2[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 14123298 YUOAFHGTTBLIGU-HRAATJIYSA-N 377.488 4.610 0 40 GJAB CC(=O)c1sc(NC(=O)Cc2c[nH]c3ccccc23)nc1-c1ccccc1 14658104 YLYXSNXYNBNCEZ-UHFFFAOYSA-N 375.453 4.675 0 40 GJAB Cc1cccc(-n2c3c(c(SCc4ccc(Cl)cc4)nc2=O)CCC3)c1 15840553 SKHDPMNLDKNBBO-UHFFFAOYSA-N 382.916 4.975 0 40 GJAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(C)c(C)c5)c4ncn3n2)cc1 15842350 RGOQUUOMARLEGA-UHFFFAOYSA-N 397.482 4.977 0 40 GJAB COc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)cc1 19690724 PCAIUKXIHNKUBF-DEOSSOPVSA-N 386.495 4.972 0 40 GJAB COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(C)c(Cl)c2)n1 19816347 ZTXLAPZTKOKIQU-UHFFFAOYSA-N 385.851 4.668 0 40 GJAB Cc1ccc(C)c(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1 20241733 MPMRYCSTVZIGPO-UHFFFAOYSA-N 399.538 4.878 0 40 GJAB CN(C)[C@@H](CNCc1c(OC(F)F)ccc2ccccc12)c1cccs1 25355864 KWFKVEJUGHVWIN-KRWDZBQOSA-N 376.472 4.895 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(OC)c(Cl)cc1OC 30866259 LYHYKSYWAVZDQK-HNNXBMFYSA-N 384.259 4.807 0 40 GJAB O=C(CCCc1nnc(-c2ccccc2)o1)NCc1ccc(Cl)cc1Cl 32476892 UIKUWKACURTVKC-UHFFFAOYSA-N 390.270 4.683 0 40 GJAB CCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2cc(Cl)ccc21 32607751 OOTUKLHREXWAJW-UHFFFAOYSA-N 394.780 4.946 0 40 GJAB O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1-c1ccccc1 35563876 CNYUARPUDAOWOM-UHFFFAOYSA-N 380.419 4.956 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1C(=O)O 35648729 CBWMHKGQSAUSTC-OVCLIPMQSA-N 389.885 4.752 0 40 GJAB C[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 40079693 CHKAZCMSDKCECB-PYUISTEWSA-N 390.508 4.881 0 40 GJAB CCOc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333551 HXJWYEFJVMSYNT-UHFFFAOYSA-N 380.517 4.719 0 40 GJAB O=C1[C@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1ccc(Br)cc1 95251926 CEDCQJIFBBYFNV-FHLIZLRMSA-N 384.273 4.522 0 40 GJAB O=C(Nc1ccc(-c2ccccn2)cn1)c1ccccc1SC[C@@H]1CCCO1 95977616 OMTCKDZZRASMPI-KRWDZBQOSA-N 391.496 4.667 0 40 GJAB Cc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C(=S)Nc2ccccc2)cc1 100426831 HRFSDFIQOUMVGP-NHCUHLMSSA-N 393.556 4.507 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 105606813 CJNIRBOGIIDHOU-IRXDYDNUSA-N 383.488 4.534 0 40 GJAB CC1(C)C[C@H](c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)CCO1 107837687 RQASLEYVIVECDN-SECBINFHSA-N 383.304 4.832 0 40 GJAB Cc1cccn2cc(-c3ccccc3NC(=O)c3cc(=O)c4ccccc4o3)nc12 206901579 FDROGAOPKXHTGN-UHFFFAOYSA-N 395.418 4.668 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 222931215 RMGXHVGADZRGJS-RTWAWAEBSA-N 394.519 4.640 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 222987494 WTAKUYBBZXCZSP-SFTDATJTSA-N 376.529 4.645 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 222989269 YEDHGTFNXCSRTR-JOCHJYFZSA-N 394.515 4.726 0 40 GJAB CC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)CCCC2 223089258 RHWAFCFGBKUUHN-QFIPXVFZSA-N 376.500 4.573 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 223161991 DJGBXZCDZQAICI-JOCHJYFZSA-N 394.559 4.650 0 40 GJAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCC2 223224520 XVNLAMCWQFVPAU-QGZVFWFLSA-N 396.962 4.918 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224160847 UFCNTOZZXUTNFE-PMACEKPBSA-N 376.529 4.815 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1C1CCCC1 225011767 SVGFASSHLCRONJ-NHCUHLMSSA-N 380.561 4.913 0 40 GJAB COc1ccc(O[C@@H](Cc2ccccc2Sc2ccccc2)C(=O)O)cc1 225131577 ULPLOXJGWUISHD-FQEVSTJZSA-N 380.465 4.921 0 40 GJAB COc1ccc(O[C@H](Cc2ccccc2Sc2ccccc2)C(=O)O)cc1 225131605 ULPLOXJGWUISHD-HXUWFJFHSA-N 380.465 4.921 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1Cl 225461644 KJGSICGOKVVQCR-GOSISDBHSA-N 388.920 4.881 0 40 GJAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225580293 MZYDFHQSDAMTID-UHFFFAOYSA-N 388.870 4.532 0 40 GJAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1Cl 225655735 SFAHRXKPLIEWIL-UHFFFAOYSA-N 389.864 4.518 0 40 GJAB COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 225775387 XOWQWGDBKLTLCD-UHFFFAOYSA-N 379.431 4.674 0 40 GJAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)cc1C(=O)OCC 225824986 ICKNYOPUNPUELI-QFIPXVFZSA-N 393.524 4.966 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@]23CO[C@@H](c2ccc(F)cc2)[C@H](C(C)C)C3)cn1 257207450 BHUIXZLVGVYGBN-FIXSFTCYSA-N 396.506 4.938 0 40 GJAB O=C(COCc1ccccc1)c1ccc(Br)cc1OC(F)(F)F 381932588 SIQPZBHWSXOZBZ-UHFFFAOYSA-N 389.167 4.747 0 40 GJAB CCOc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3OC)NC2=O)cc1 408810669 PTGAXMPYZMUAQV-UHFFFAOYSA-N 389.884 4.510 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(C)c2ncccc12 808154 AKUSZRIWFCZHPE-UHFFFAOYSA-N 376.847 4.943 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCCCCC2 995368 AAMVYKONSDATRX-UHFFFAOYSA-N 387.501 4.845 0 40 GJAB CC(C)(C)NC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C(C)(C)C)C3 1223133 QYIKYJAAPGTPGG-LBPRGKRZSA-N 391.606 4.849 0 40 GJAB O=C1c2[nH]c3ccc(Br)cc3c2CCN1Cc1ccc(Cl)cc1 1648045 KMEXYEFPZGXTTR-UHFFFAOYSA-N 389.680 4.782 0 40 GJAB COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 2152644 XOZQFEQVRDICDF-PMRSGIFKSA-N 393.527 4.782 0 40 GJAB Cn1c(NC(=O)c2ccco2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2445048 BSZAYSRNOCQEDG-UHFFFAOYSA-N 378.815 4.704 0 40 GJAB Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nc1ccc(Cl)c(Cl)c1 2581873 ZSFRTPQRYUIQKQ-UHFFFAOYSA-N 393.057 4.966 0 40 GJAB O=C(NC1CC1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 2951001 FCVPTSOUJSWVEW-UHFFFAOYSA-N 377.494 4.979 0 40 GJAB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)CSC2 3008321 SNBXMQUISMAJQW-UHFFFAOYSA-N 393.512 4.887 0 40 GJAB CCCCOCCCn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 5151221 TYTTYHDKPCZBDS-UHFFFAOYSA-N 378.451 4.992 0 40 GJAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1cccc2ccccc12)c1ccco1 5224836 XZAHYHOXKOONHV-QFIPXVFZSA-N 399.446 4.517 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cc3c(C(=O)O)c(C)oc3c3ccccc23)cc1 5234922 ZYWNJLXKRWMFSL-UHFFFAOYSA-N 395.436 4.702 0 40 GJAB CC(C)c1ccc(-c2nc(CSc3nnc(-c4ccco4)n3N)cs2)cc1 5336080 JQJUTTKSOJBPQZ-UHFFFAOYSA-N 397.529 4.791 0 40 GJAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(OCC)cc3)o2)cc1 5391804 VMGNGWGFQSDHOO-AWEZNQCLSA-N 398.484 4.898 0 40 GJAB CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(F)cc3)cc12 5624938 RJZYEYMTIGUHNA-UHFFFAOYSA-N 390.462 4.763 0 40 GJAB S=C(c1cccc(OCc2ccc(Cl)cc2Cl)c1)N1CCOCC1 5860625 LEGSZPCKFHUOSQ-UHFFFAOYSA-N 382.312 4.580 0 40 GJAB CN(Cc1cccs1)C(=O)CSc1nc(-c2ccc(F)cc2)cs1 5938877 BFBHNLAOZKXTSO-UHFFFAOYSA-N 378.519 4.761 0 40 GJAB O=C1S/C(=C/c2ccc(Br)o2)C(=O)N1c1cccc(Cl)c1 6240941 OJGLFKHPHRONMN-YRNVUSSQSA-N 384.638 4.936 0 40 GJAB Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)cc1 6283786 BWCZEUHXSRNWAT-UHFFFAOYSA-N 387.435 4.595 0 40 GJAB O=c1cc(COc2ccc(F)cc2Cl)nc2scc(-c3ccccc3)n12 6646687 DRWJDZONAIVVAF-UHFFFAOYSA-N 386.835 4.795 0 40 GJAB CN(C)c1ccc([C@H](CNC2CCSCC2)c2c[nH]c3ccccc23)cc1 6651085 LUJXTTYQXVAQHO-NRFANRHFSA-N 379.573 4.851 0 40 GJAB Cc1cc(OCC(=O)N(Cc2cccc(F)c2)Cc2ccco2)ccc1Cl 6747601 FBFZAUVFVCDXKO-UHFFFAOYSA-N 387.838 4.988 0 40 GJAB O=C(Nc1ccnn1CC1CCCCC1)c1cccnc1Oc1ccccc1 7779664 IEKLKFWLXRBLKY-UHFFFAOYSA-N 376.460 4.903 0 40 GJAB O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@@H]1c1nc2ccccc2s1 8231341 VKVDXHBPPZAIGZ-LPQFERQCSA-N 375.453 4.814 0 40 GJAB CCCn1c(SCC(=O)NC2CCCCCC2)nnc1-c1cccc(C)c1 8391307 YQGLAKYJJOBNAV-UHFFFAOYSA-N 386.565 4.595 0 40 GJAB O=S(=O)(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1Cl 12507843 MUNDVBKGBJKZCH-UHFFFAOYSA-N 386.782 4.708 0 40 GJAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC3CCN(C(C)C)CC3)c2c1 12760592 VCSKYZYKPFNCRC-UHFFFAOYSA-N 387.527 4.813 0 40 GJAB Cc1cc(C(=O)COc2ccc(C(=O)O)cc2)c(C)n1CCC1=CCCCC1 12852236 RWVDYJTUTFHHDX-UHFFFAOYSA-N 381.472 4.955 0 40 GJAB CSCc1c(C(=O)NCCc2cccc3cccnc23)oc2ccccc12 12972416 XMYAKTOQAZZZBH-UHFFFAOYSA-N 376.481 4.817 0 40 GJAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1C 14188745 RXDXOKWSQWPUCP-UHFFFAOYSA-N 396.874 4.928 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19559056 YRRXIZYWQQMGGR-GOSISDBHSA-N 396.878 4.501 0 40 GJAB CCn1ccnc1CN1CCC(c2cc(-c3cccc(OC)c3)cc(C)n2)CC1 19690980 VCLLVXPXEYQMPK-UHFFFAOYSA-N 390.531 4.662 0 40 GJAB CCN1CCc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2C1 21294968 OCALMYCUNDVCDU-UHFFFAOYSA-N 379.485 4.566 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 22522332 HBAWWSAMBZVRIN-AUUYWEPGSA-N 393.936 4.803 0 40 GJAB c1ccc(-c2nnc(CN3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1 24601903 LJQYRDXTOZPAPI-INIZCTEOSA-N 376.485 4.726 0 40 GJAB COCc1cccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 25092828 LRYWHKFWNQBNMT-UHFFFAOYSA-N 375.428 4.729 0 40 GJAB CN(C)[C@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)c1ccsc1 25330214 WSKBMISIRWJDOA-CYBMUJFWSA-N 382.913 4.788 0 40 GJAB COc1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1Br 25363596 SZXBOTCQBIHHNA-FQEVSTJZSA-N 383.289 4.732 0 40 GJAB COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2Cl)cc1 25371972 IMSMJJJZTSIKAU-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB Cc1noc(C)c1Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)o1 28244521 QQOLBKJCZJRMIT-OAHLLOKOSA-N 389.455 4.757 0 40 GJAB CCCCN1C(=O)COc2ccc(NC(=O)c3oc4ccc(C)cc4c3C)cc21 32593478 KSLSFMBKWSDFNV-UHFFFAOYSA-N 392.455 4.827 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1noc(-c2ccc(F)cc2)n1 32624280 OYKYIBAVEAXKJY-ZDUSSCGKSA-N 383.423 4.579 0 40 GJAB Cc1ccc2c(C)c(CCC(=O)N3CCC[C@H]3c3ccc(F)cc3)c(=O)oc2c1 32901546 LYOXIYXZHFKILZ-NRFANRHFSA-N 393.458 4.845 0 40 GJAB CCOc1ccc([C@H](NC(=O)/C=C\c2ccco2)c2ccc(OC)cc2)cc1 33784085 LXGXNDDXJHNRIE-HVMBHNBBSA-N 377.440 4.606 0 40 GJAB O=C(Nc1ccccc1SC1CCCC1)N1CCN(Cc2ccco2)CC1 40104987 BVEPUMQMVZKLAJ-UHFFFAOYSA-N 385.533 4.664 0 40 GJAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2sccc2C1 45731863 SXFBDXCXKIGPDO-UHFFFAOYSA-N 379.325 4.984 0 40 GJAB CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1cccc(Cl)c1)C3 55396224 BQZVICJCVBSHQF-UHFFFAOYSA-N 383.875 4.978 0 40 GJAB O=C1NC2(CCCCCCC2)C(=O)N1Cc1csc(C2CCCCC2)n1 60802730 SLIQLZWDWQMXLM-UHFFFAOYSA-N 375.538 4.726 0 40 GJAB COc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 64471593 OQWTWUVJHHHWFO-UHFFFAOYSA-N 379.435 4.752 0 40 GJAB Cn1cnnc1Sc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1 71820616 YPOJZLQEIFOKAY-UHFFFAOYSA-N 398.557 4.939 0 40 GJAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(C)=O 72215072 ZSTHIAHPSXWUQZ-SFHVURJKSA-N 375.513 4.697 0 40 GJAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72218890 FAYONVJBHRZOLM-NRFANRHFSA-N 379.504 4.854 0 40 GJAB CO[C@@H](C)c1nc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)s1 95963910 NUFWFEIHAUUYNQ-JTQLQIEISA-N 391.493 4.982 0 40 GJAB Cc1ccc2c(c1)C(c1ccc(OCC(C)C)cc1)=NNC(c1cccnc1)=N2 100292250 SYHZJLJKLSCVKM-UHFFFAOYSA-N 384.483 4.859 0 40 GJAB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(O)C[C@H](c3ccco3)CC1=N2 102662960 MYTXRCKEAJMNIF-NSPYISDASA-N 382.370 4.523 0 40 GJAB COc1ccc(-c2csc(C3=C(O)CN(Cc4cccs4)C3=N)n2)cc1 102719463 DBEAHYUCUGTNCU-UHFFFAOYSA-N 383.498 4.642 0 40 GJAB CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 170612456 CHKIYNDAMSPSOR-QBBQCFRVSA-N 386.586 4.935 0 40 GJAB COc1cc2c(cc1S(=O)(=O)Nc1cccc(Cl)c1Cl)CCCC2 223178180 PZAJSZHGEQNCJM-UHFFFAOYSA-N 386.300 4.682 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccc2ccccc2c1 223640047 APADVTFQKVNNEE-QFIPXVFZSA-N 377.484 4.809 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C 224456268 QFYYZZMVPDTFML-UHFFFAOYSA-N 383.469 4.905 0 40 GJAB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 225519929 MRUZMDBLWCWTAR-UHFFFAOYSA-N 396.506 4.751 0 40 GJAB O=C(NCCCOC1CCCC1)c1cccc(OCc2ccccc2Cl)c1 225779373 OKTKNRNRSGHOGI-UHFFFAOYSA-N 387.907 4.998 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225802244 GRIAZFITXJKVGG-OPAMFIHVSA-N 393.524 4.965 0 40 GJAB COC(=O)c1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225862730 ILMBIANQTNUTRU-UHFFFAOYSA-N 388.920 4.883 0 40 GJAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cccc(C)c2)c1 408698492 QFRJRAMOHGNXSX-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CN1CC[C@H](CNC(=O)Nc2cc(F)cc(F)c2)[C@H]1c1ccc(Cl)c(F)c1 534229790 NOEKWZWYCYKDSN-KZULUSFZSA-N 397.828 4.572 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585149026 RKUROUGJFMWOHJ-OAHLLOKOSA-N 376.378 4.662 0 40 GJAB FC(F)(F)c1cccc(-c2noc([C@H]3CCN(CCc4ccccc4)C3)n2)c1 585172041 LZIFAWGQXOGDGZ-KRWDZBQOSA-N 387.405 4.787 0 40 GJAB C[C@]12COC[C@@H]1CN(C(=O)c1oc3ccccc3c1CSc1cccs1)C2 618717575 JXAPONDBHMRCGP-QKKBWIMNSA-N 399.537 4.895 0 40 GJAB Fc1cc(Br)ccc1OCOc1ccc(Br)cc1F 2362803736 DQXMGDUVIVOONK-UHFFFAOYSA-N 394.009 4.905 0 40 GJAB Clc1cccc(-n2c(SCCN3CCCCC3)nnc2-c2ccncc2)c1 1223946 WRQWBUZYKSZAGX-UHFFFAOYSA-N 399.951 4.561 0 40 GJAB Cc1cccnc1N(C(=O)Nc1cccc(C(F)(F)F)c1)C1=NC[C@H](C)S1 1279333 VICOMOLMHPLFJJ-LBPRGKRZSA-N 394.422 4.939 0 40 GJAB COCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 2714745 UKQXDDPPUZKIMZ-UHFFFAOYSA-N 376.435 4.675 0 40 GJAB O=C(Nc1cccc(Cl)c1)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 3185034 DUBIXVMQHCDXDT-OBGWFSINSA-N 394.902 4.742 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccccc1Br 3332094 DNERDJNGBJTSCD-UHFFFAOYSA-N 390.668 4.849 0 40 GJAB COc1ccc(OCCSc2nnc(-c3ccc(OC)cc3)n2C(C)C)cc1 3350606 VDBPUMBZOSNREA-UHFFFAOYSA-N 399.516 4.714 0 40 GJAB CCOC(=O)[C@H](C)Oc1cc2c(-c3cc4ccccc4o3)cc(=O)oc2cc1C 4586204 BSCZPRNIGZIQNP-AWEZNQCLSA-N 392.407 4.845 0 40 GJAB biogenic O=C(Nc1ncc(Cc2ccccc2Cl)s1)C1=Cc2ccccc2OC1 5034295 ONFYMCLUKJYBNI-UHFFFAOYSA-N 382.872 4.802 0 40 GJAB CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)[C@H]1[C@@H](C)[C@@H](C)CC[C@H]1C 5047942 KGSXORVANNQUIT-FFSTWTIQSA-N 381.601 4.501 0 40 GJAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2OC)c1 5143209 TUMMYJOEZSOHAQ-XUZZJYLKSA-N 386.451 4.946 0 40 GJAB CCOC(=O)c1ccc2nc(NC(=O)CCSc3ccccc3)sc2c1 6327937 DBGSTXCUOJFKLT-UHFFFAOYSA-N 386.498 4.594 0 40 GJAB O=C1c2ccccc2C(=O)N1CCCCSc1nc(-c2ccccc2)cs1 6602628 YMGBEVRIPUWPGJ-UHFFFAOYSA-N 394.521 4.979 0 40 GJAB CCOc1ccccc1/C=C1\C(=O)N(c2ccc(CC)cc2)C(C)=C1C(=O)OC 8085677 FNGCFRJHZABGFJ-HKWRFOASSA-N 391.467 4.525 0 40 GJAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8103671 TWLOIQMXVXTRHH-CABCVRRESA-N 384.476 4.609 0 40 GJAB O=S1(=O)c2cccc3cccc(c23)N1Cc1cc2ccccc2nc1Cl 8507341 JEHCVZIWAOTEER-UHFFFAOYSA-N 380.856 4.750 0 40 GJAB C[C@@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1cccc2ccccc12 8528173 PXNOKTCCHCQJJV-CYBMUJFWSA-N 394.525 4.656 0 40 GJAB O=C1N[C@H](c2cn(Cc3ccccc3)nc2-c2cccs2)Nc2ccccc21 9471197 YNVOLWCSPQCBEW-OAQYLSRUSA-N 386.480 4.514 0 40 GJAB O=C(Nc1nc(CN2CCCCC2)nc2ccccc12)c1ccc(Cl)cc1 9579653 RTZUPIBQYVIPFU-UHFFFAOYSA-N 380.879 4.521 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2nc3ccccc3s2)s1 9884016 XGDBTMIQNWMYAO-UHFFFAOYSA-N 394.477 4.684 0 40 GJAB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2sccc2c1 10219092 BHRFUBXLLAVJMA-UHFFFAOYSA-N 393.917 4.747 0 40 GJAB CCc1ccc(Cl)c(CC)c1NC(=O)CCn1c(=O)n(CC)c2ccccc21 10442772 IRQVOLKNPDACKI-UHFFFAOYSA-N 399.922 4.630 0 40 GJAB COc1cccc(C2(NC(=O)CCn3ccnc3-c3ccccc3)CCCC2)c1 12115986 HPPRNCOYOCXUNM-UHFFFAOYSA-N 389.499 4.535 0 40 GJAB Cc1ccccc1-c1cc(C(=O)Nc2nccs2)c2cnn(C(C)C)c2n1 12227407 SEMCLJVVPLANPL-UHFFFAOYSA-N 377.473 4.696 0 40 GJAB COc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 12697017 FBJWDWDVFOGXAC-QFIPXVFZSA-N 399.494 4.604 0 40 GJAB CCn1c(SC[C@H]2CCCO2)nc2sc(-c3ccccc3)c(C)c2c1=O 12731987 GRSKLKSXEQLDIT-OAHLLOKOSA-N 386.542 4.724 0 40 GJAB CCc1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 12761143 BKLCLSWBBGPPQI-UHFFFAOYSA-N 386.495 4.893 0 40 GJAB O=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1c(Cl)cccc1Cl 12769613 QANMWQWTSPNNDJ-CYBMUJFWSA-N 392.304 4.648 0 40 GJAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)C1 12796030 VMNTVIOWYBVUOX-RYUDHWBXSA-N 381.904 4.666 0 40 GJAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1OC(F)(F)F 12906026 TXRWZKXWTNRNOV-UHFFFAOYSA-N 384.404 4.926 0 40 GJAB Cc1cc(-c2snnc2[C@@H]2CCCN(CC[C@@H](C)c3ccc(C)o3)C2)on1 13227348 GYYQDWYCEHWADR-CZUORRHYSA-N 386.521 4.776 0 40 GJAB O=C(NCCSCc1ccccc1)c1ccccc1OCc1ccccc1 13686984 HSTCLBGVCUHWIU-UHFFFAOYSA-N 377.509 4.929 0 40 GJAB COc1ccc([C@@H]2N=C(S)NC3=C2CCCC3=C2SCCS2)cc1 13878966 PXWKXGGIPRMMAL-HNNXBMFYSA-N 376.572 4.755 0 40 GJAB Cc1ccc(F)cc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 17121259 BQOMHFNKDDQQKA-UHFFFAOYSA-N 392.459 4.575 0 40 GJAB CCOC(=O)C1CCN([C@@H](c2cccs2)c2c(C)[nH]c3ccccc23)CC1 21670487 RLTFVCKGLXKDCV-NRFANRHFSA-N 382.529 4.902 0 40 GJAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccccc1 21787417 ZWMZOHJQVCVRLQ-QFIPXVFZSA-N 377.488 4.579 0 40 GJAB COc1c(Br)cc(Br)cc1CNCCc1ccccc1 22074320 OPBRKRLWAIZSNE-UHFFFAOYSA-N 399.126 4.553 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1C 22531788 CRVUSIOKBXCHGK-OXJNMPFZSA-N 382.504 4.628 0 40 GJAB CCOC(=O)c1c(NC(=O)N2CCC[C@@H]2c2cccs2)sc(C)c1C 24564474 QHXBUPFHBAAHFC-CYBMUJFWSA-N 378.519 4.972 0 40 GJAB C[C@@H](NC(=O)NCc1ccc(CN2CCCCC2)cc1)c1ccc(F)c(F)c1 24971212 LSGXKNIBHKOAPZ-MRXNPFEDSA-N 387.474 4.511 0 40 GJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 26295627 ZTFCLPNPYSPQIJ-UONOGXRCSA-N 382.348 4.968 0 40 GJAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)o1 28243033 ORPWXRMJPVTKBC-UHFFFAOYSA-N 396.834 4.567 0 40 GJAB CC1CCN([C@H](CNC(=O)c2ccc(OC(C)C)cc2)c2cccs2)CC1 28292080 KSAZRYSJLKUEQG-HXUWFJFHSA-N 386.561 4.738 0 40 GJAB COc1cccc(CO[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 31697025 FJFNOWLXEIVDJJ-STQMWFEESA-N 382.287 4.785 0 40 GJAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1ccc(O)cc1)CC(=O)N2 32072005 CKTWOGYFPRDYJE-MRXNPFEDSA-N 396.443 4.628 0 40 GJAB CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc(C)c(C)c2)on1)c1ccccc1 32623340 RHKPRRAEVQMEBU-JOCHJYFZSA-N 391.515 4.771 0 40 GJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc2cc(F)ccc2[nH]1 32755173 WKZDSWZFWPYCDU-HXUWFJFHSA-N 385.870 4.527 0 40 GJAB CCOc1cc2c(cc1NC(=O)CCC(=O)c1ccc(SC)cc1)O[C@H](C)C2 32756179 KFBCILQJXCXOHR-CQSZACIVSA-N 399.512 4.732 0 40 GJAB Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3cnc(N4CCCC4)nc3)nc12 32831781 LQJWBGNAMQIQJX-ONEGZZNKSA-N 387.270 4.808 0 40 GJAB Cc1ccc(C(=O)CCC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1C 32850895 DKXDDDVPRLZGPY-UHFFFAOYSA-N 387.863 4.720 0 40 GJAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cccc(Cl)c1Cl 33051835 XGTCKPIWPFPQHN-UHFFFAOYSA-N 398.311 4.962 0 40 GJAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1OC(F)F 33776640 ULWYNKLUVNWHBP-UHFFFAOYSA-N 397.377 4.751 0 40 GJAB S=C(Nc1ccccc1Cl)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 35289089 ZRCNZJCNBFCHDM-AYHJJNSGSA-N 385.964 4.822 0 40 GJAB Cc1ccc2[nH]c(C(=O)NCCc3ccc(OC(F)F)cc3)c(Cl)c2c1 40088585 VPDDDGIVGGYJBB-UHFFFAOYSA-N 378.806 4.704 0 40 GJAB COc1cc2c(cc1OC)CN(c1nc3c(OC)ccc(Cl)c3s1)CC2 42381287 XFIMHICOLPFHGV-UHFFFAOYSA-N 390.892 4.538 0 40 GJAB Cc1cnn(C2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1 43063222 YGQQBKYVKLZEMA-UHFFFAOYSA-N 389.478 4.570 0 40 GJAB in-vitro CCOc1cc(C)ccc1NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 48286538 VRPRKNMJDOFBPS-UHFFFAOYSA-N 375.472 4.629 0 40 GJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1csc(Nc2ncccn2)n1 49032242 DHCQMSULFARMNE-UHFFFAOYSA-N 385.452 4.500 0 40 GJAB Clc1ccc2c(-n3cc(-c4cnn(Cc5ccccc5)c4)cn3)ccnc2c1 49597262 FVVPQSQHHPRPNU-UHFFFAOYSA-N 385.858 4.986 0 40 GJAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4C[C@@H](C)C[C@@H](C)C4)cc3)cc2c1 57718209 DVDOBZIIFOFVAV-HDICACEKSA-N 375.516 4.931 0 40 GJAB COc1ccc(-c2noc(CSCc3ccc(F)cc3Cl)n2)c(OC)c1 58196266 MLFNDUHWPDHREC-UHFFFAOYSA-N 394.855 4.980 0 40 GJAB COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c(OC)c1 59294163 IGIVFKKEIXPYPO-UHFFFAOYSA-N 388.895 4.846 0 40 GJAB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1 59418708 BLFYHABYCWKVGQ-YCIYHOANSA-N 399.877 4.742 0 40 GJAB O=C(Nc1ccc(F)cc1F)[C@@H](c1ccc(Br)cc1)N1CCCC1 95411150 RGPVSRDTAPJBPJ-QGZVFWFLSA-N 395.247 4.503 0 40 GJAB Cn1nc(-c2cccs2)cc1C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 206873508 JJEWBCUYMKMUGR-MRXNPFEDSA-N 383.492 4.698 0 40 GJAB CSc1ncccc1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 206999691 SMJNSJUVQTYOAZ-MRXNPFEDSA-N 378.950 4.777 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 223223660 ZTRXHAUEFUTRBI-QFIPXVFZSA-N 394.559 4.568 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 223269386 KXYCXHJUUSYGFA-QFIPXVFZSA-N 394.559 4.568 0 40 GJAB CC(C)(C)c1ccc(OCCNC(=O)CSCc2ccc(F)cc2)cc1 224379613 PXCSLKNAOAJXOI-UHFFFAOYSA-N 375.509 4.552 0 40 GJAB CSc1ccccc1C(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 225577565 RWTPXLCVLBFJTJ-UHFFFAOYSA-N 383.542 4.641 0 40 GJAB O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257202356 ALKIJPKTIBQENM-OAQYLSRUSA-N 394.446 4.537 0 40 GJAB CCOc1cc(COc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1 408538604 AJJYPTOJEJXJNB-UHFFFAOYSA-N 378.424 4.942 0 40 GJAB O=C(Nc1c(F)cccc1F)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408679952 XBPNQTIXMIZWSI-UHFFFAOYSA-N 394.352 4.845 0 40 GJAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)CCc3ccccc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409105388 NCRHBDJJDPWNGO-JXXFODFXSA-N 396.453 4.531 0 40 GJAB CC(=O)Nc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)sc2c1 707280 WNLLEMJMHOWBLX-UHFFFAOYSA-N 399.541 4.911 0 40 GJAB CCc1cccc2c(SCC(=O)N3CCCCC3)nc(-c3ccccc3)nc12 976814 GBMXDTTWHVZYOT-UHFFFAOYSA-N 391.540 4.964 0 40 GJAB Cc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 1359911 LVGWQDXUFPNKRK-INIZCTEOSA-N 380.423 4.596 0 40 GJAB O=C(COc1ccc(Cl)cc1Br)N[C@@H]1CCCc2ccccc21 3510329 GQGBDUBBXBYXDU-MRXNPFEDSA-N 394.696 4.675 0 40 GJAB Fc1ccc(-n2nnc3c(SCc4cccc5ccccc45)ncnc32)cc1 4166717 KNCKPFUMMOCOKO-UHFFFAOYSA-N 387.443 4.795 0 40 GJAB C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)NC1CCCC1 4463079 ZRRGOWBPPKABBT-AWEZNQCLSA-N 395.503 4.975 0 40 GJAB O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1cccc(Cl)c1Cl 4703966 RUCHCWXPULEIML-UHFFFAOYSA-N 394.327 4.720 0 40 GJAB CCN(CC)P(=NC(=S)N1CCCCC1)(c1ccccc1)N(CC)CC 5259394 QMFCQZURFJSNPQ-UHFFFAOYSA-N 394.569 4.798 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1OCC 5466540 BKSKMQHRNCPWMK-UHFFFAOYSA-N 378.266 4.807 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 6317044 UKBCUVJPHZICKI-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1c(F)cccc1Cl 6586435 QZEDRYSETAJESE-QWQRMKEZSA-N 384.875 4.569 0 40 GJAB CSc1ccccc1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 6605489 QPNSMSZUOFWEGL-UHFFFAOYSA-N 391.492 4.800 0 40 GJAB CCCOC(=O)c1cc(NC(=O)CSc2ccc(C)cc2)ccc1Cl 6880542 PTOMZNVWTJXQCB-UHFFFAOYSA-N 377.893 4.946 0 40 GJAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCO2 7035912 NEXGFSZHHKUKNV-UHFFFAOYSA-N 394.810 4.561 0 40 GJAB CCc1ccc(-c2noc(CSc3nnc(-c4ccccc4)n3CC)n2)cc1 7150434 UYHONNKLWHRUTG-UHFFFAOYSA-N 391.500 4.870 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1cccc2ccccc12 7823615 BHUGCEWXMAAVLZ-UHFFFAOYSA-N 383.495 4.560 0 40 GJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O 7928209 YLGVUUXDVNJBQA-QGZVFWFLSA-N 384.907 4.765 0 40 GJAB CC(=O)Nc1cccc(NC(=O)C2(Cc3nc4ccccc4s3)CCCC2)c1 8185326 RXNCGSTUYXBKRH-UHFFFAOYSA-N 393.512 4.996 0 40 GJAB CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 10280103 USFQTZYDXNTOPN-NRFANRHFSA-N 380.488 4.545 0 40 GJAB Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 10362569 MIONARMICZKFGI-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(c1ccc(F)cc1Br)N1CC=C(c2c[nH]c3ccccc23)CC1 11074896 JQEBGDPURPMHDI-UHFFFAOYSA-N 399.263 4.999 0 40 GJAB C[S@](=O)c1ccccc1C(=O)OCc1csc(-c2ccc(Cl)cc2)n1 12857073 HGIRZWHIUNJUDN-RUZDIDTESA-N 391.901 4.558 0 40 GJAB CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1OC(F)(F)F 12988169 USUUMVIKOPAKFK-UHFFFAOYSA-N 381.375 4.564 0 40 GJAB Cc1cc(C)cc(C(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)c1 13009628 IGACQAJLWXGBRH-UHFFFAOYSA-N 398.470 4.583 0 40 GJAB CCc1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 13021879 KEAXYUPHQLUYAG-LBPRGKRZSA-N 396.270 4.505 0 40 GJAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccc(F)cc2)n1 13692932 APDHVUSENXPALP-AWEZNQCLSA-N 393.487 4.720 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccnn3C(C)C)cc12 14113313 IKAKSTWYSHFLCN-UHFFFAOYSA-N 397.479 4.623 0 40 GJAB O=S(=O)(c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)c1nccs1 18031161 PIGWOTXQVJKJSY-UHFFFAOYSA-N 398.431 4.557 0 40 GJAB CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1CCc1ccccc1)c1ccccn1 19081708 LRGFKSWVIAQCKE-GGAORHGYSA-N 393.575 4.772 0 40 GJAB CCn1ncc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)on2)c1C 19523963 VPYRHLIJGVVLQO-QFIPXVFZSA-N 394.519 4.992 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)oc12 19887866 DZJUHQWABVZSSU-UHFFFAOYSA-N 392.455 4.756 0 40 GJAB Cc1cc(=O)oc2ccc(OCc3nnc(Nc4ccc(Cl)cc4)s3)cc12 19923633 PCOGJHAILHADQN-UHFFFAOYSA-N 399.859 4.929 0 40 GJAB CC(C)c1nnc(S[C@H](C)c2nc(C(C)(C)C)no2)n1Cc1ccco1 24048752 CXJXAWPWZUMSMJ-GFCCVEGCSA-N 375.498 4.577 0 40 GJAB O=C(Nc1ccccc1SC1CCCC1)c1ccc(N2C(=O)CCC2=O)cc1 25265142 JFKIATORUUDLHJ-UHFFFAOYSA-N 394.496 4.627 0 40 GJAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN(C)Cc1ccc(C)o1 32654924 JXOOMJNWBYXWNC-UHFFFAOYSA-N 382.504 4.647 0 40 GJAB Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2ccco2)o1 32925235 HYTAFASUWIVJBO-INIZCTEOSA-N 399.244 4.935 0 40 GJAB O=C(Nc1ccccc1NC(=O)C1(c2cccs2)CCCC1)c1ccccn1 38678768 DZIYYZIWQLTDTE-UHFFFAOYSA-N 391.496 4.846 0 40 GJAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 40039064 NROXRRALOFINSX-UHFFFAOYSA-N 396.245 4.573 0 40 GJAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H]2CCCC[C@H]21 40090230 RCRJKRKADYUDIB-CRAIPNDOSA-N 387.911 4.894 0 40 GJAB Cc1ccc(C(=O)N(C2CC2)[C@H](C)C2CC2)cc1NC(=O)c1ccccc1F 42917067 KIIVQGRYGVLWCW-OAHLLOKOSA-N 380.463 4.790 0 40 GJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)c1 44900649 KGRIINCHKSEKES-CYBMUJFWSA-N 380.257 4.919 0 40 GJAB O=C(CCC(=O)N1CCC[C@H]1c1ccc(Br)cc1)c1cccs1 48374370 ORTVQPNGIXLVKB-HNNXBMFYSA-N 392.318 4.837 0 40 GJAB Cc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 49005316 UKSUWWNAYYCMKN-AWEZNQCLSA-N 396.441 4.975 0 40 GJAB Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(N3CCSCC3)cc2C)c(C)c1 51186806 WAAPEWCUCSSSOV-IBGZPJMESA-N 397.588 4.913 0 40 GJAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1cccc(Br)c1 58137725 YVJJLSCODIBRFA-UHFFFAOYSA-N 395.300 4.767 0 40 GJAB CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccnn1C1CCCCC1 65554399 RKHAASXUZZATKP-UHFFFAOYSA-N 376.888 4.584 0 40 GJAB COCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 65732841 CRWKEADBMUAOMH-UHFFFAOYSA-N 383.488 4.561 0 40 GJAB Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCC2 71283413 RWEUWNCBQIOXMP-HXUWFJFHSA-N 391.515 4.537 0 40 GJAB CCOc1ccc(-c2nc(CC(=O)N[C@](C)(C3CC3)C(F)(F)F)cs2)cc1 72307906 IQBQKUJPZCNWEY-GOSISDBHSA-N 398.450 4.599 0 40 GJAB Cn1cccc1CN(Cc1cccs1)C(=O)c1ccc(OC(F)(F)F)cc1 77200822 QKULBJLMSBGVFP-UHFFFAOYSA-N 394.418 4.828 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)NC(c1ccc(F)cc1)c1ccc(F)cc1 96999267 GYPLBEDOQBUDTL-UHFFFAOYSA-N 382.366 4.605 0 40 GJAB COC1=CC=C2[C@@H]3Cc4ccc(OC)c(Oc5ccccc5)c4[C@@]2(CCN3C)C1 100393783 WZTKOQWLQWUDKG-OFVILXPXSA-N 389.495 4.846 0 40 GJAB biogenic,in-vitro CC(C)Oc1cc(-n2c(S)nc3ccccc3c2=O)c(Cl)cc1Cl 100921107 CEGNLJHYGLJTJL-UHFFFAOYSA-N 381.284 4.768 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102274855 VWZXLFVLTHWJTJ-JYYRGQEPSA-N 385.939 4.756 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 103717943 KAIQENSLOLZBTL-OAHLLOKOSA-N 386.879 4.511 0 40 GJAB Cc1ccccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 107100830 QFRHFWXSKALKON-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB O=C(c1cc(-c2cccs2)on1)N1CCS[C@@H](c2cccs2)CC1 219523101 GCPAGCYROWASIC-MRXNPFEDSA-N 376.528 4.785 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN(C)c1ccccc1 222942521 SNKCLFSASHZIOL-QFIPXVFZSA-N 382.548 4.784 0 40 GJAB COc1ccc(-c2nnsc2C(=O)OCc2c(Cl)cccc2Cl)cc1 223838871 FPWDMBSYCBLXNJ-UHFFFAOYSA-N 395.267 4.878 0 40 GJAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2cccc(OC)c2)c2ccccc2O1 223994524 YUXNFXWIBOCBTE-UZLBHIALSA-N 383.488 4.661 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)c1 224536163 UJLNGXAZACXHNI-UHFFFAOYSA-N 394.559 4.800 0 40 GJAB CCOc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1Cl 224699689 PNPVSSAFNCJMEG-UHFFFAOYSA-N 386.923 4.655 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1C1CCCC1 225030509 VWWXEJCEGRJHJC-FGZHOGPDSA-N 388.540 4.787 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@@](O)(c1ccsc1)c1cccs1 253397784 FZEMXIDFTKWCFZ-JOCHJYFZSA-N 393.533 4.558 0 40 GJAB Cc1ccc(CSCC(=O)NCCSCc2ccc(Cl)cc2)cc1 409183723 FSQGRLRMLGCVQB-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB COc1cc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc(Cl)c1OC(C)C 662882 VQUGPLGTOKJPOC-CXUHLZMHSA-N 389.810 4.619 0 40 GJAB O=C(Nc1ccccc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 837675 PRBJMPPJVJEDLT-UHFFFAOYSA-N 382.407 4.770 0 40 GJAB O=C(Nc1cccc(NCc2ccc3c(c2)OCO3)c1)c1ccccc1Cl 1063063 CGYUIQBKHQYPQR-UHFFFAOYSA-N 380.831 4.933 0 40 GJAB CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 1105411 BDKFAZUCGWKCPT-UHFFFAOYSA-N 379.456 4.732 0 40 GJAB O=c1cc(C(F)(F)F)nc(SCc2cccc(F)c2)n1-c1ccccc1 1394895 NTWVUDIMSTYKNB-UHFFFAOYSA-N 380.366 4.683 0 40 GJAB Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1)N1NC=NC1=N2 2262570 YMQXEQVZSOELPN-PKTZIBPZSA-N 396.425 4.630 0 40 GJAB COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccccn2)cc1 2331007 AJWDHCHEMPSSNG-UHFFFAOYSA-N 388.496 4.939 0 40 GJAB CCCCOC(=O)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 3065174 SDEFCLWMIICZGS-UHFFFAOYSA-N 392.238 4.751 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nnnn1-c1ccccc1 3504028 NYMSDORSVGVVAB-UHFFFAOYSA-N 395.532 4.640 0 40 GJAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 5180450 VPLZWPVURHEBAI-UHFFFAOYSA-N 380.517 4.690 0 40 GJAB Cc1ccccc1/N=c1\scc(-c2cccs2)n1CCCN1CCOCC1 5298971 MVITYKSDVDIMME-DQRAZIAOSA-N 399.585 4.541 0 40 GJAB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc(Cl)c1 6348275 WWEYGCPYQCULBE-WQRHYEAKSA-N 399.899 4.939 0 40 GJAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1cccc(F)c1 6494231 NGDMRQDDKMFDCX-UHFFFAOYSA-N 379.869 4.875 0 40 GJAB COc1ccccc1CN(C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 6542568 PMQCXJPHFMLXHQ-JOCHJYFZSA-N 378.447 4.646 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 6553149 DFRXKGQCMYNBDP-UHFFFAOYSA-N 385.489 4.877 0 40 GJAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(F)c(F)c1F 6790731 OSKKYNYDHPWOAX-UHFFFAOYSA-N 394.574 4.537 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1Br 6847055 TVSMFAVULHKADZ-UHFFFAOYSA-N 395.303 4.895 0 40 GJAB COc1ccc(CNC2=NN=C(c3ccc(Cl)cc3Cl)CS2)cc1 6881813 AQFQHXKLWQVCAX-UHFFFAOYSA-N 380.300 4.599 0 40 GJAB COc1ccc(Br)cc1/C=C/c1cc(C(=O)O)c2ccccc2n1 7141203 DIYAJZYLZKBIKY-SOFGYWHQSA-N 384.229 4.875 0 40 GJAB O=C(Nc1c(F)cccc1F)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604332 BMQDWSZMBXYSAE-UHFFFAOYSA-N 376.362 4.706 0 40 GJAB O=C(COc1ccc(Cl)c2cccnc12)Nc1ccccc1C(F)(F)F 7612407 FLVGLVLRSPNBMW-UHFFFAOYSA-N 380.753 4.925 0 40 GJAB COC(=O)c1ccc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 7988786 SPNZBJALKGFTNJ-OAQYLSRUSA-N 391.492 4.623 0 40 GJAB Cc1sc2nc(CN3CCCC3)nc(Nc3ccc4[nH]ncc4c3)c2c1C 8135154 PDJHXFNJVWOHKR-UHFFFAOYSA-N 378.505 4.524 0 40 GJAB CCOc1c(Br)cc(CNC2C3CC4CC(C3)CC2C4)cc1OC 8253331 OOPXWIKTDIEOFO-UHFFFAOYSA-N 394.353 4.771 0 40 GJAB O=C(NCCSC1CCCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 9063309 DSPNZFDOCKCHGR-UHFFFAOYSA-N 395.012 4.734 0 40 GJAB C[C@@H](C(=O)NC[C@H](O)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9420418 DVUPTRVSXBZMLM-PEBXRYMYSA-N 392.886 4.928 0 40 GJAB CCc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCCC3)n2)cc1 10213552 SOHNLQCFILXJMX-UHFFFAOYSA-N 378.455 4.661 0 40 GJAB O=C(CSc1ccc(F)c(F)c1)Nc1ccnn1Cc1ccc(Cl)cc1 10983405 GHARCFINTLQNFS-UHFFFAOYSA-N 393.846 4.594 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 11328119 MKWFBJPDKQVFLZ-UHFFFAOYSA-N 398.846 4.743 0 40 GJAB Cc1ccccc1[C@H](C)N[C@@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12945572 AJXBUIBBQLZNBW-KBPBESRZSA-N 379.485 4.965 0 40 GJAB C[C@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1ccccc1F 13122498 SCHCVAYLURUHGR-DBTPVHCXSA-N 389.430 4.707 0 40 GJAB COc1ccccc1[C@H](CC(=O)N(C)[C@@H]1CCOC(C)(C)C1)c1ccccc1 13680762 ZDYLSNYRCQNAFN-TZIWHRDSSA-N 381.516 4.633 0 40 GJAB Cc1c(C(=O)NCc2ccc(Cn3cccn3)cc2)oc2c(Cl)cccc12 14245216 XEOVIKHNMZACGG-UHFFFAOYSA-N 379.847 4.569 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14400271 LDIUUEMGEBMCSP-MRXNPFEDSA-N 382.504 4.530 0 40 GJAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Oc1ccc(-c2nnco2)cc1 14775643 VYHRLUILZYWEQL-UHFFFAOYSA-N 395.802 4.583 0 40 GJAB CN(C(=O)COc1ccccc1)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835541 ITKASEDOQYPROC-QFIPXVFZSA-N 376.481 4.856 0 40 GJAB CCCOc1ccc(NC(=O)c2ccc(Br)o2)c2cccnc12 15841047 UNZHFBFUIMJUBM-UHFFFAOYSA-N 375.222 4.631 0 40 GJAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cc(=O)[nH]c2ccccc12 16043769 RYASOBYCNXQHAT-UHFFFAOYSA-N 381.844 4.557 0 40 GJAB CCOc1ccccc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 16312548 UUCQAMDHZIGODX-UHFFFAOYSA-N 393.512 4.518 0 40 GJAB Cc1nc(COc2cccc(C(=O)Nc3nc4ccccc4s3)c2)cs1 16708423 VCGMTLHWAVGBSF-UHFFFAOYSA-N 381.482 4.893 0 40 GJAB COc1cccc([C@H]2CCCN2C(=O)C2(c3cc(C)cc(C)c3)CCOCC2)c1 19662071 IPYUJGNZCGPOFN-HSZRJFAPSA-N 393.527 4.724 0 40 GJAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCc1ccccc1)CO3 19882451 FRFXVMMYKNHELL-UHFFFAOYSA-N 383.447 4.855 0 40 GJAB biogenic COc1cccc(CNCc2ccc(C(=O)O)cc2)c1OCc1ccc(C)cc1 20873984 UOHVKMYNSHJROK-UHFFFAOYSA-N 391.467 4.571 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1C 21569320 YJOWYRVKZXUJQK-HOTGVXAUSA-N 383.517 4.524 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 22246129 OQZNEILIQNGSIQ-GFCCVEGCSA-N 385.464 4.834 0 40 GJAB C[C@H](NCc1nc2c(oc3ccccc32)c(=O)[nH]1)c1ccc(Cl)cc1Cl 24808406 QHXVDKWIGKJOEM-JTQLQIEISA-N 388.254 4.827 0 40 GJAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 25468542 KFGRZPWOELXPNY-UHFFFAOYSA-N 385.467 4.545 0 40 GJAB CCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCCC2)c1 27584092 XQIKDEKJJTVCNR-HSZRJFAPSA-N 380.532 4.741 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@H](C)SCc2csc(-c3ccco3)n2)cc1 31421250 FPEFQCRDFBOIOH-ZDUSSCGKSA-N 386.498 4.866 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nonc1-c1ccc2c(c1)CCCC2 32594077 QHRQYRYDZKIOHQ-LJQANCHMSA-N 395.434 4.551 0 40 GJAB O=C(CCCc1ccccc1)Nc1cnn(COc2ccc(F)cc2Cl)c1 32610656 HAUGWOSOUBRBDT-UHFFFAOYSA-N 387.842 4.674 0 40 GJAB CCCOc1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)c2cccnc12 32623488 IIRDJJHHRANRPL-UHFFFAOYSA-N 388.423 4.691 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1nc2c(s1)CCCCC2 32885736 VQWPPSOIPFBVCY-UHFFFAOYSA-N 375.544 4.778 0 40 GJAB O=C(Nc1cc(NC(=O)[C@H]2COc3ccccc3C2)ccc1F)C1CCCCC1 40110781 WKJONMXTBHXRRM-QGZVFWFLSA-N 396.462 4.534 0 40 GJAB COc1ccc(-c2cc(=O)n3c4ccccc4n(Cc4cccc(F)c4)c3n2)cc1 40484757 BHAGHNNPEZRVOI-UHFFFAOYSA-N 399.425 4.512 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 41091609 NZUHJLZPSKOUST-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)N1CCC(c2ccc(O)cc2)CC1 48361587 JPYDIUFKVMZJJB-UHFFFAOYSA-N 384.526 4.526 0 40 GJAB O=C1C[C@H](C(=O)N2CCC[C@H]2c2cccs2)CN1c1cccc2ccccc12 49757644 LSLCSXBTCOGEEP-PXNSSMCTSA-N 390.508 4.618 0 40 GJAB CCOC(=O)N1CCC(Nc2nc(-c3oc4ccccc4c3C)cs2)CC1 71971742 SHHCBVJEJYBYDK-UHFFFAOYSA-N 385.489 4.898 0 40 GJAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)NC1(C(F)(F)F)CCOCC1 72300973 YMRDQROTVGEEQW-ZZXKWVIFSA-N 399.356 4.539 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2Cl)cc1 72328992 KJMCXFVDDBKYJS-UHFFFAOYSA-N 383.879 4.839 0 40 GJAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CCc3ccccc3)C2)c1 72358644 IUHSSPMOIBUJJF-QFIPXVFZSA-N 385.511 4.791 0 40 GJAB O=C(Cc1ccccc1Cl)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200196 FIKTZLJOURMSRC-ROUUACIJSA-N 386.879 4.559 0 40 GJAB O=C(Nc1cccc(OCC(F)F)n1)c1cnc2ccccc2c1C(F)(F)F 95979017 MDJMENCCXWVWQV-UHFFFAOYSA-N 397.303 4.545 0 40 GJAB COc1cc(OC)cc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)c1 96194189 QBZAGNNMWRUXBX-UHFFFAOYSA-N 392.440 4.592 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(C(C)(C)C)cc1 218934430 UXABNLBWNWSMFP-HXUWFJFHSA-N 397.515 4.790 0 40 GJAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2CC)cc1 224351597 CYHVLTQQXVPTDM-SFTDATJTSA-N 376.529 4.643 0 40 GJAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1CSc1ccc(C)cc1 224660655 UGTUQHHDJCEWMG-LJQANCHMSA-N 385.529 4.595 0 40 GJAB Cc1ccc(CSCCNC(=S)Nc2cccc(Br)c2)cc1 225292316 HCETUSCLTKMJMN-UHFFFAOYSA-N 395.391 4.977 0 40 GJAB Cc1ccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 225803095 HGYFVPMUZAEQML-UHFFFAOYSA-N 375.350 4.635 0 40 GJAB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OC 408557995 RIQJNJXTGUZTMP-QGZVFWFLSA-N 384.284 4.789 0 40 GJAB O=C(NC(=S)Nc1ccc(Cl)cn1)c1cccc2c(Cl)cccc12 408621346 LXDFQANQJUJGHL-UHFFFAOYSA-N 376.268 4.668 0 40 GJAB COc1ccc(Br)cc1[C@@H]1Nc2ccc(F)cc2[C@@H]2OCC[C@H]12 409189639 MBNZXRHEYRFCHM-NXOUGTEYSA-N 378.241 4.841 0 40 GJAB COc1cc(-c2nc3ccccc3s2)cc(I)c1OC 409194600 QDEWQHCDHORCEU-UHFFFAOYSA-N 397.237 4.585 0 40 GJAB Cc1cnc(Nc2cc(C3CCN(C(=O)C4CCCCC4)CC3)ccn2)s1 585262607 HYCSCTHOOAIBKP-UHFFFAOYSA-N 384.549 4.876 0 40 GJAB COc1cc([C@@H](C)NC(=O)N2CC3CC2(C)C3)ccc1OCc1ccccc1 663746918 OWNKGWVDNNKJCQ-NEAIJXHWSA-N 380.488 4.529 0 40 GJAB CCc1ocnc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 1544136770 SQSMDWVBQHHROZ-UHFFFAOYSA-N 390.365 4.571 0 40 GJAB Cc1cc(CNC(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)cc(N2CCCC2)n1 1556881926 BUGQHYUBMPQKTM-UHFFFAOYSA-N 390.531 4.699 0 40 GJAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc(OC(F)(F)F)c1 1685680128 SVISPHQJIDEEBS-LLVKDONJSA-N 388.336 4.766 0 40 GJAB O=C(c1cccc(Cl)c1)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 2055750687 QFOWGRWZVUUJTP-FQEVSTJZSA-N 390.861 4.718 0 40 GJAB C[C@@H]1CCc2c(sc3ncnc(SCc4cc(=O)[nH]c5ccccc45)c23)C1 881296 RYTLSCNNUYLXHP-GFCCVEGCSA-N 393.537 4.950 0 40 GJAB CCc1cc(I)ccc1NC(=O)c1ccc(Cl)cc1 1266926 ZVTWLVFNVZUGRT-UHFFFAOYSA-N 385.632 4.759 0 40 GJAB CCOc1ccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 1327269 WRUBAAYLVANZLM-UHFFFAOYSA-N 383.879 4.635 0 40 GJAB O=C(c1ccc(F)cc1)C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 1336668 ABGCQRFLUANKMS-UHFFFAOYSA-N 394.368 4.971 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)c1 2240941 MOTOZWDWNMJHHC-UHFFFAOYSA-N 380.517 4.645 0 40 GJAB COc1ccc2ccccc2c1/C=C/[C@]12NC(=O)CCN1c1ccccc1C2(C)C 2398428 KSWCIZGTJPSAEQ-FPBAGDOUSA-N 398.506 4.876 0 40 GJAB Cc1ccc(C)c(NC(=O)COc2ncnc3scc(-c4ccccc4)c23)c1 2636748 CKTHOKFVSCKRGR-UHFFFAOYSA-N 389.480 4.993 0 40 GJAB CC(=O)OCCSc1ccc(-c2ccc(SCCOC(C)=O)cc2)cc1 3013385 VHLZLRXGYJJENX-UHFFFAOYSA-N 390.526 4.664 0 40 GJAB COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccccc1F 4413542 CHLVYAYJVMCVNI-UHFFFAOYSA-N 386.854 4.752 0 40 GJAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@H]1c1ccccc1 4816740 SUFCZIBXMCTZON-LEWJYISDSA-N 390.487 4.544 0 40 GJAB CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc2ccccc21 5185342 RDDOKSKEXWEZDL-HXUWFJFHSA-N 379.529 4.902 0 40 GJAB Cc1cc(C)c(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1C 5317072 IGOLCPVNEVWANU-UHFFFAOYSA-N 375.255 4.511 0 40 GJAB CCc1cc(=O)oc2cc(OCc3cc4c(cc3Cl)OCO4)c(Cl)cc12 5548230 GNNWEIKIRLNYRR-UHFFFAOYSA-N 393.222 4.970 0 40 GJAB C[C@@H](Sc1ccccn1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 5622325 BPFHPNMKZGBEDK-SNVBAGLBSA-N 377.441 4.603 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1c(C)nc2ccccc21 5627800 SYOKBKMVOXEPNC-UHFFFAOYSA-N 391.393 4.791 0 40 GJAB COc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cccc(C)c3)sc2C)cc1 6217351 ZOPXDRCWDZPCTA-CQSZACIVSA-N 382.485 4.842 0 40 GJAB O=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1Br 6616514 JMMAWMGOGYJGBI-UHFFFAOYSA-N 385.286 4.729 0 40 GJAB CCCn1c(SCCCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O 6940206 DHKHNTSWXXIYMY-UHFFFAOYSA-N 384.476 4.701 0 40 GJAB CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(-c3nnco3)cc2)cc1 7777976 PVWRAQGCXVIQRI-UHFFFAOYSA-N 380.444 4.799 0 40 GJAB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)Nc1ccccc1F 8328902 VUWCBVZHDIRBFM-UHFFFAOYSA-N 397.406 4.654 0 40 GJAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc(C)cc2)cc1OC 8411699 ODCVSFJQZAXINL-UHFFFAOYSA-N 380.488 4.674 0 40 GJAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccc(C2CCCCC2)cc1 11134334 UDONUGMRAQWRHO-WCRBZPEASA-N 382.500 4.856 0 40 GJAB CCCCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(C)(C)C 11565937 QTMIUPDOVNNNBP-UHFFFAOYSA-N 375.534 4.642 0 40 GJAB COc1cc(NC(=O)CNc2ccc3c4c(cccc24)CC3)c(OC)cc1Cl 11618567 XLSAJNRSDDOHRZ-UHFFFAOYSA-N 396.874 4.660 0 40 GJAB Cc1cc(NC(=O)CSCc2ccc(Cl)cc2)ccc1N1CCCC1=O 11744984 CPQVTNBZWLWXOM-UHFFFAOYSA-N 388.920 4.647 0 40 GJAB Cc1cc(C)nc(Oc2cccc(NC(=O)c3ccccc3Br)c2)n1 12089920 CDNBPRDADOEXEG-UHFFFAOYSA-N 398.260 4.901 0 40 GJAB COc1ccccc1NC(=O)c1cc(C(C)C)n(-c2nc3ccccc3s2)n1 12223563 KMMUFEHPQSRLOR-UHFFFAOYSA-N 392.484 4.866 0 40 GJAB CSc1ccc(CN2CCC(c3nnsc3-c3cc(C)no3)CC2)cc1 12223987 YWBBECICAYDMCW-UHFFFAOYSA-N 386.546 4.603 0 40 GJAB COc1cc(OC)cc(C(=O)NCCCn2c3ccccc3c3ccccc32)c1 12418249 NHCDNSNVHDZGSG-UHFFFAOYSA-N 388.467 4.632 0 40 GJAB biogenic,in-vitro Cc1nc(-c2ccc(CNC(=O)c3c(-c4ccccc4)noc3C)o2)cs1 12618724 WYNBSGRZADKYCM-UHFFFAOYSA-N 379.441 4.605 0 40 GJAB CC(C)(C)c1ccc(OCc2cc(=O)n3nc(-c4cccs4)sc3n2)cc1 13367615 CXJIQHRXMXNQOF-UHFFFAOYSA-N 397.525 4.756 0 40 GJAB CC[C@@H](CN1CCCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1C 19654430 XLLWPQGSENBLAU-NRFANRHFSA-N 377.536 4.540 0 40 GJAB COc1cccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)c1 19690737 WMQWOWSHFMZLDL-XMMPIXPASA-N 386.495 4.972 0 40 GJAB O=C(/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)NCc1ccc(C(=O)O)cc1 20145429 VXRWYWIUWRQENZ-JXMROGBWSA-N 399.805 4.767 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 20616108 RGHPNVBEOSAOAW-AWEZNQCLSA-N 391.496 4.895 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)cc1OC 24927797 DUOHYXOCZUJOFV-NRFANRHFSA-N 392.499 4.872 0 40 GJAB CCc1ccc(O[C@H](C)C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 27990491 GVPWSILNGYVKJU-QGZVFWFLSA-N 394.540 4.807 0 40 GJAB Cc1cccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)c1 28288712 XSCCOFQESXYBBL-HSZRJFAPSA-N 394.559 4.625 0 40 GJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc2c(c1)OCCCO2 31335789 JXCNCRZCXYTCHN-LBPRGKRZSA-N 380.271 4.988 0 40 GJAB CN(C)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)c(C(F)(F)F)c1 32832468 HETRTMYQHGRKJH-UHFFFAOYSA-N 378.181 4.726 0 40 GJAB CC[C@@H]1CCc2sc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2C1 32967221 YNNKVBHIFRNEHZ-SJLPKXTDSA-N 386.561 4.813 0 40 GJAB COC(=O)c1cc(Nc2ccc(Br)c(C)c2)c2cccc(F)c2n1 38486950 OVYYZMCHYRIRRY-UHFFFAOYSA-N 389.224 4.975 0 40 GJAB CN(c1ccccc1)c1ccccc1C(=O)Nc1cccc(CN2CCCC2=O)c1 40133108 HZMPFNFMDVSNIG-UHFFFAOYSA-N 399.494 4.829 0 40 GJAB FC(F)(F)c1ccc(CN2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1 49169867 AMWFVWQZBKNUCV-KRWDZBQOSA-N 387.405 4.669 0 40 GJAB biogenic,in-vitro O=c1cc(CN2CCC[C@@H]2c2ccccc2)c2ccc(Br)cc2o1 57607546 YTEAIRDVEJHEFO-GOSISDBHSA-N 384.273 4.893 0 40 GJAB CCCSCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 59368423 GASJSKXLPFYLLV-UHFFFAOYSA-N 379.529 4.641 0 40 GJAB Cc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(Cl)c(Cl)c1)C3 61997724 ZCHNPORAYWGHKO-UHFFFAOYSA-N 376.239 4.760 0 40 GJAB biogenic COc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4)c3C)n2)cc1OC 67341590 OOLLUMKERHWJDX-UHFFFAOYSA-N 396.447 4.523 0 40 GJAB COc1cc(/C=C/C(=O)Nc2ccc(-c3ccc[nH]3)cc2)ccc1OC(F)F 95461563 RTWWBDSVVDBTLC-VZUCSPMQSA-N 384.382 4.944 0 40 GJAB CCOc1ccccc1OCc1nn2c(-c3cc4ccccc4o3)nnc2s1 96193915 QLOWYVDUOOMSGZ-UHFFFAOYSA-N 392.440 4.577 0 40 GJAB Cc1c(Cl)cccc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 98211343 UVXVOVLRVSRCFI-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCCc1ccc(F)cc1 102815636 PHLMIQZDMLCBND-JZFKGDSASA-N 394.328 4.608 0 40 GJAB Cc1ccc(N2CCC(C(=O)NCCSCc3ccccc3C)CC2)cc1 219854284 XWRBVWFOPYRVEG-UHFFFAOYSA-N 382.573 4.569 0 40 GJAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Br 223435184 NCBGGAJNYSMODV-UHFFFAOYSA-N 392.727 4.625 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(SC(C)C)s1 223606115 POZJJSGLNAZCCU-HNNXBMFYSA-N 387.530 4.988 0 40 GJAB C[C@@H](NC(=O)CCc1ncc(-c2cccc(Br)c2)o1)c1ccccc1 224883801 XHSSGCIJYXKWJO-CQSZACIVSA-N 399.288 4.914 0 40 GJAB CC(C)Sc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccccc1 225543504 BSFUTPQVXKAGOA-UHFFFAOYSA-N 375.497 4.940 0 40 GJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1nnc(SCc2ccccc2)s1 225604093 KHVUVCHQYZSJJQ-AWEZNQCLSA-N 399.541 4.799 0 40 GJAB COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@@H](C2)[C@@H]1[C@H](C)CC(=O)C3 253504567 HLKCYOOWMVLNED-LRVLYQPQSA-N 391.511 4.601 0 40 GJAB biogenic,in-vitro CCc1nnc(Nc2cccc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)s1 257204381 AUHNIFJPVDZTPV-MRXNPFEDSA-N 399.564 4.525 0 40 GJAB Cc1cc(C)nc(N2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)n1 257252639 JVNKPSVKRGASCR-HXUWFJFHSA-N 376.479 4.602 0 40 GJAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)c1 257313465 USPMEDFNWBQLBT-JOCHJYFZSA-N 390.483 4.570 0 40 GJAB CC(C)n1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c3ccccn23)c1 306127969 GMJJEJLBYVSDPX-UHFFFAOYSA-N 392.890 4.967 0 40 GJAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)C(C)C 408620346 IJCJSDNUZCJZGX-UHFFFAOYSA-N 387.892 4.926 0 40 GJAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc2ccccc2c1 408624878 DACQLCVXHBKTCY-UHFFFAOYSA-N 391.279 4.979 0 40 GJAB Cc1cccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c1 408970411 HNEPUJGYQDLSLC-UHFFFAOYSA-N 382.847 4.518 0 40 GJAB CC(C)c1ocnc1CN1CCC(COc2cccc(C(F)(F)F)n2)CC1 585531549 DNOYWZFHKMQHNR-UHFFFAOYSA-N 383.414 4.503 0 40 GJAB O=C(NC1(c2ccc(C(=O)O)cc2)CC1)OCC1c2ccccc2-c2ccccc21 685939385 FOUHNMYXKFDJII-UHFFFAOYSA-N 399.446 4.913 0 40 GJAB COc1ccc(F)cc1C(=O)NCc1ccc(OCc2cccc(C)c2)cc1 1537099171 MYMSUXQGFHAAPN-UHFFFAOYSA-N 379.431 4.652 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)C2(c3ccccc3)CC2)N1c1cccc(F)c1 1615155083 HRBYKAJIXJUMSS-VXKWHMMOSA-N 392.518 4.906 0 40 GJAB Cc1nccn1[C@H]1C[C@H]2CN(CC3CCCC3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242542 QDIKUFLUCGCUMX-MNHFLQJXSA-N 397.538 4.851 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)N[C@@H](C)c4ccccc4)c(N)c3cc2C1 661938 RQKMXMOOFSCDLJ-KBPBESRZSA-N 379.529 4.884 0 40 GJAB COc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccccc3C)c2)cc1 992985 UYWFYNKGCMTDIS-KRWDZBQOSA-N 389.451 4.906 0 40 GJAB CCOc1ccc2[nH]c(=O)c(-c3nc4cc(C)ccn4c3NC(C)(C)C)cc2c1 1376123 YKPJYOPYTNNXJV-UHFFFAOYSA-N 390.487 4.760 0 40 GJAB COc1ccc(C(=O)OCCNc2nc(-c3ccccc3)nc3ccccc23)cc1 1912351 QBNUCDCGANUAGC-UHFFFAOYSA-N 399.450 4.574 0 40 GJAB COC(=O)Cc1c(C)c2ccc(OCc3ccc(C(C)(C)C)cc3)cc2oc1=O 2094047 FZXIFRLPTYRAGO-UHFFFAOYSA-N 394.467 4.693 0 40 GJAB biogenic CCOc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2ccccc2)cc1 2656351 BCULFCVAGRKCIT-HXUWFJFHSA-N 393.512 4.937 0 40 GJAB O=C(CCCSc1nc2ccccc2s1)Nc1nnc(C2CC2)s1 2726317 LFHCWUACHVFBAK-UHFFFAOYSA-N 376.532 4.536 0 40 GJAB CC1CCN(Cc2nc(N3C[C@@H](C)C[C@H](C)C3)c3c4c(sc3n2)CCC4)CC1 3504501 QWMAEGORXUJQDA-IRXDYDNUSA-N 398.620 4.894 0 40 GJAB CCN(CC)C(=O)Oc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1 4340241 CHYBSVWMEYJNEH-UHFFFAOYSA-N 381.428 4.618 0 40 GJAB biogenic CC(C)Cn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21 4818539 NTHJDAZAMNDVDO-UHFFFAOYSA-N 395.850 4.648 0 40 GJAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)o2)cc1 5210486 NIJOYOALQCJHRV-LSDHHAIUSA-N 379.485 4.503 0 40 GJAB Cc1ccc(NC(=O)[C@H](Oc2ccc3ccc(=O)oc3c2)c2ccccc2)cc1 5221483 OFDKEPRNKUNNHV-HSZRJFAPSA-N 385.419 4.860 0 40 GJAB Cc1ccc(-c2csc(N3N=C(C(C)(C)C)C[C@@]3(O)C(F)(F)F)n2)cc1 5243118 AYPRGRCZIQTDBR-QGZVFWFLSA-N 383.439 4.982 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(I)c1 5714102 GGRFCFZBRLCSFE-UHFFFAOYSA-N 391.130 4.562 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1C 6215791 JSYAMHASWYSRMW-UHFFFAOYSA-N 382.268 4.926 0 40 GJAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccccc1Cl 6884454 ROWAOJGYWFVFDR-UHFFFAOYSA-N 382.297 4.730 0 40 GJAB CCCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 6941984 OMFMJYNPSIIUNM-HKWRFOASSA-N 397.496 4.763 0 40 GJAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ccccc1-c1ccccc1 7866567 AIILVLPXBZVRHW-UHFFFAOYSA-N 378.815 4.554 0 40 GJAB CCOc1ccc(-c2nc(-c3ccc(CCNC(C)=O)cc3)cs2)cc1OC 8208903 SOYQCZITDOAKFN-UHFFFAOYSA-N 396.512 4.563 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)CSCc2cc(C)cc(C)c2)c1 8335580 QQWOPVCSNIMHPK-UHFFFAOYSA-N 377.893 4.615 0 40 GJAB Cc1nc2c(-c3ccccc3)c(C)nn2cc1C(=O)Nc1ccccc1Cl 8559364 QPVCEPAGVANXBJ-UHFFFAOYSA-N 376.847 4.919 0 40 GJAB CCCc1n[nH]c(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 8728143 GHOFKOYDAXNJCG-QMMMGPOBSA-N 392.834 4.549 0 40 GJAB COc1ccc(-c2c(C(C)C)nn3c4c(cnc23)C(=O)CC(C)(C)C4)cc1OC 9290228 OMKFGUQPSYYXPR-UHFFFAOYSA-N 393.487 4.692 0 40 GJAB Cc1cccc(OCC(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c1 9575500 IAXJUEDCLYBXPO-UHFFFAOYSA-N 388.423 4.835 0 40 GJAB COc1cc2c(cc1NC(=O)CNc1cc(F)ccc1F)oc1ccccc12 11622166 BTEGGJXVYUQAMO-UHFFFAOYSA-N 382.366 4.923 0 40 GJAB CCCCC1CCC(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)CC1 11916608 GCLKCJUMLUNRSZ-IRSIHTCSSA-N 386.580 4.945 0 40 GJAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)C3CCCC3)cc2n1 12230118 RVUBHFFLBCEXGQ-INIZCTEOSA-N 394.441 4.554 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C3=CSC4=NCCCN34)cc2)cc1 12794856 RWSHWTUMVAMNGJ-INIZCTEOSA-N 393.512 4.508 0 40 GJAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2)cc1 13687606 UPBFCFMCCYEUTM-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 14125784 YEUZFOULSCHQJU-CQSZACIVSA-N 380.469 4.500 0 40 GJAB Clc1ccc(-c2nnc3sc(CCc4nc5ccccc5s4)nn23)cc1 15083109 KFAJFZWVXZPEDX-UHFFFAOYSA-N 397.916 4.901 0 40 GJAB COc1ccc(C(=O)Nc2c(C)cc(Br)cc2Br)cc1 16269491 KIZQVVMFZKFKPI-UHFFFAOYSA-N 399.082 4.781 0 40 GJAB C[C@@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc2ccccc2c1 16694818 JMELRDSGEZFCEO-OAHLLOKOSA-N 390.405 4.675 0 40 GJAB O=C(Nc1cccc(F)c1)[C@H]1CC(O)=Nc2cc(-c3ccc(Cl)cc3)nn21 20715053 AINBBHWRFOQKQM-MRXNPFEDSA-N 384.798 4.514 0 40 GJAB O=C(Nc1ccccc1F)[C@@H]1CC(O)=Nc2cc(-c3ccc(Cl)cc3)nn21 20715517 GYDDICQHGOTPJS-INIZCTEOSA-N 384.798 4.514 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3cc(-c4ccccc4)on3)cc2)cs1 24539310 QDUSQQARWWZUJA-UHFFFAOYSA-N 375.453 4.704 0 40 GJAB O=C(Nc1ccncc1)c1cccnc1Sc1ccc(Br)cc1 24968956 RPYCFQCKTJTBEG-UHFFFAOYSA-N 386.274 4.643 0 40 GJAB C[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(Br)c1 27745052 GMSWVXGNLSKIRU-NSHDSACASA-N 386.211 4.888 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc(F)c1)c1ccccn1 28292975 GAUIRIAYCVDZEA-FQEVSTJZSA-N 382.410 4.751 0 40 GJAB O=C(Nc1ccc(F)c(F)c1F)c1nc(-c2ccccc2)n2c1CCCCC2 31533583 KJZJOUVTRGMXLO-UHFFFAOYSA-N 385.389 4.946 0 40 GJAB Cc1cccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c1 32604393 CKNRECDNLKKRCC-IBGZPJMESA-N 383.492 4.864 0 40 GJAB C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc2c(c1)OCO2 32795343 OHPBFHZYQAWXBM-XCLFUZPHSA-N 398.459 4.766 0 40 GJAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCCCCC3)c12 36616164 HOAKXMUQDRWAGQ-UHFFFAOYSA-N 388.515 4.682 0 40 GJAB COc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 38834191 XNKVUIHMGQNXCX-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 44901897 IKJJZYWAQWCXLI-LIRRHRJNSA-N 388.895 4.664 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2Br)cc1 48301293 VZVHOQKNBCSTCV-KRWDZBQOSA-N 393.256 4.966 0 40 GJAB O=C(c1cccnc1SC1CCCC1)N1CCC(Nc2ccccc2)CC1 50173684 AFUZROCEBPMUCZ-UHFFFAOYSA-N 381.545 4.833 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(OC)cc2)cc1Cl 72329360 RZVFLDJIBYTVGW-CYBMUJFWSA-N 399.878 4.628 0 40 GJAB Cc1cccc(-c2nc(CC(=O)NC[C@@H](c3cccnc3)C(C)C)cs2)c1 79049100 FKUJKAUUZPWZHB-HXUWFJFHSA-N 379.529 4.612 0 40 GJAB COc1cccc(-c2nc(C(=O)Nc3ccc4nc(C)oc4c3)cs2)c1OC 95349233 MQLPFXUEIGRCHQ-UHFFFAOYSA-N 395.440 4.529 0 40 GJAB Cn1c(=O)c(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)c(O)c2ccccc21 100362372 QEEVPJYAMVRFMJ-QFIPXVFZSA-N 395.462 4.600 0 40 GJAB Cc1ccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2cccc(C)c2)C3)cc1 100426293 WEVNUMKQHKRXEM-FGZHOGPDSA-N 391.515 4.651 0 40 GJAB C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 104725766 LONUFQNZKLVHEF-QCQGSNGOSA-N 395.400 4.585 0 40 GJAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 107135101 DETFBVJBYDNRAZ-SZMVWBNQSA-N 394.481 4.612 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 222976082 HVXDPQBPXCUXND-SFTDATJTSA-N 394.519 4.784 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccccc1OC 223025659 JZMJFXQBYGOPRD-IBGZPJMESA-N 375.896 4.563 0 40 GJAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccccc1 224083742 XAALDARXFXQXFH-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB CC(C)c1ccc(OCC(=O)NC[C@@H](C)c2ccccc2)c(Br)c1 224249770 ZVQITARGKZBNNQ-OAHLLOKOSA-N 390.321 4.871 0 40 GJAB O=C(NCCOc1ccccc1Cl)c1cccc(OCc2ccccc2)c1 224270116 IISPSNPQWMJOAK-UHFFFAOYSA-N 381.859 4.728 0 40 GJAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NC3CCCCCC3)n2)cc1 225199463 ACBREIVTFDABEW-UHFFFAOYSA-N 399.564 4.937 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225623293 AGLCFDMCQIMPGO-JOCHJYFZSA-N 378.557 4.721 0 40 GJAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1cccc(N2CCCC2=O)c1 225661458 ICRRDLQXBBWKTK-QGZVFWFLSA-N 395.572 4.856 0 40 GJAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1cccc(Br)c1 225702391 CFDLFKHWBACMRH-KRWDZBQOSA-N 391.334 4.822 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCCC)cc1C(=O)OC 225845837 YZHSKNVAOLVNDY-JOCHJYFZSA-N 393.524 4.966 0 40 GJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1C 225908387 MWMVSMFVIUZVAZ-OAQYLSRUSA-N 380.529 4.509 0 40 GJAB CC[C@@H](C)NC(=O)C1(Cc2cccc(-c3cc(F)ccc3OC)c2)CCOCC1 257198115 TWNLUXLZJCCBIP-QGZVFWFLSA-N 399.506 4.755 0 40 GJAB COc1cc(/C=C\C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409416258 UAVAHRKBIYCDEK-DJWKRKHSSA-N 386.662 4.733 0 40 GJAB CC(=O)N1CCCCCCCN(Cc2ccc(C)cc2)Cc2ccc(CO)cc21 643563658 JMFYJOZGPGCHHG-UHFFFAOYSA-N 394.559 4.807 0 40 GJAB Cc1nc(-c2ccccc2NC(=O)N[C@@H]2CCO[C@H](c3cccnc3)C2)cs1 653063230 OZTPEZHVFYZHOI-UZLBHIALSA-N 394.500 4.555 0 40 GJAB Clc1ccc(-c2nnc([C@H]3CCCN(c4ncnc5sccc45)C3)o2)cc1 1261426375 MKZFXYDGUDHDOC-ZDUSSCGKSA-N 397.891 4.779 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)Cc2cccc(F)c2)CN1c1cccc(F)c1 1615152613 BKYWZRJHGSRKCN-HSZRJFAPSA-N 384.470 4.557 0 40 GJAB O=C(NC1CCCCC1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 825030 VDEGLBPHGBMXDW-HMMYKYKNSA-N 382.891 4.560 0 40 GJAB CCOc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(F)cc2)CC1 1336875 JRPTYSIECHMTHD-UHFFFAOYSA-N 386.492 4.516 0 40 GJAB Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(F)cc1)SCC(O)=N2 1431284 NSOSGJVRLNYHNF-QAPCUYQASA-N 389.496 4.885 0 40 GJAB Cn1c2ccccc2c2cc([C@@H]3N[C@H](C(=O)O)Cc4c3[nH]c3ccccc43)ccc21 1787663 NGQNWWAYSMYTDE-REWPJTCUSA-N 395.462 4.501 0 40 GJAB biogenic CC(C)(C)OC(=O)n1cc(Br)c2cc(Br)ccc21 2563776 HCFNOIFCTOOXMY-UHFFFAOYSA-N 375.060 4.950 0 40 GJAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)OCc1ccc(Cl)cc1 3275383 QLZMIOVXCNIXMQ-UHFFFAOYSA-N 395.267 4.879 0 40 GJAB COc1ccc(C)cc1NC(=O)COc1ccc(OCc2ccccc2)cc1 3353098 PMMUIAUDTWFKGW-UHFFFAOYSA-N 377.440 4.600 0 40 GJAB COc1ccc2[nH]cc(CCNC(=O)C3c4ccccc4Oc4ccccc43)c2c1 4487691 RPUFMERBUHHFAT-UHFFFAOYSA-N 398.462 4.773 0 40 GJAB COc1ccccc1-n1cnnc1SCCOc1c(Cl)cccc1Cl 6082097 XUMSIKWALINUHN-UHFFFAOYSA-N 396.299 4.754 0 40 GJAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1F 6430173 SEDLZEYBIALXHV-UHFFFAOYSA-N 379.859 4.567 0 40 GJAB O=C(c1csc(Nc2ccccc2Cl)n1)N1CCN(c2ccccc2)CC1 6721481 PVXHFWXFMADGSZ-UHFFFAOYSA-N 398.919 4.503 0 40 GJAB C=C1c2cc3c(cc2CCN1C(=O)c1ccc(C(C)(C)C)cc1)OCCCO3 6755897 XKAUKCYVIGNKFF-UHFFFAOYSA-N 377.484 4.815 0 40 GJAB CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 6962488 BEIFATPGERCPLZ-YDZHTSKRSA-N 375.428 4.501 0 40 GJAB CCn1c(Cc2ccccc2)nnc1SCc1cc(-c2ccccc2)on1 7290100 YYIYPTRYGXELFU-UHFFFAOYSA-N 376.485 4.836 0 40 GJAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)/C=C/c1cccs1 7596683 MVCORQCLRSZBMM-MDZDMXLPSA-N 387.892 4.902 0 40 GJAB CCc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)cc1 8086053 DGKQNVFVPKLEPN-UHFFFAOYSA-N 396.556 4.674 0 40 GJAB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)CC(C)C 9060312 GQRMPYXSVCVLJR-UHFFFAOYSA-N 382.508 4.669 0 40 GJAB O=C(Cc1cccs1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 10060747 UJYWVSUNFCNWNX-UHFFFAOYSA-N 383.473 4.668 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 10303516 XCDKRWLYGFIIGT-UXHICEINSA-N 393.918 4.622 0 40 GJAB CC(C)Oc1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1 10715416 QYQZERKWOBTJSH-UHFFFAOYSA-N 398.684 4.907 0 40 GJAB CCn1ncc2c(C(=O)N(C)Cc3cccc(F)c3)cc(-c3ccccc3)nc21 11334194 XASZKDNYDOKNOD-UHFFFAOYSA-N 388.446 4.530 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 12111311 NKSBWVGMIPKLFP-MRXNPFEDSA-N 395.459 4.548 0 40 GJAB COc1ccc(Oc2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc2OC)cc1 12601713 MVTFZZJBRPBGRT-UHFFFAOYSA-N 389.411 4.625 0 40 GJAB CC(C)n1ncc2cc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)cnc21 12819517 ANNNQNPUUGJZND-UHFFFAOYSA-N 377.275 4.591 0 40 GJAB O=C(COc1c(C(=O)O)ccc2ccccc12)Nc1ccc(Cl)c(Cl)c1 13086316 HDMFOQYPKYOUJA-UHFFFAOYSA-N 390.222 4.862 0 40 GJAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1 13729744 XORCZLAZOKMGEO-UHFFFAOYSA-N 396.512 4.600 0 40 GJAB O=C(Nc1ccc(OC(=O)c2ccccc2OC(F)F)cc1)c1ccccc1 14631284 RHGSCPSHTNIRER-UHFFFAOYSA-N 383.350 4.760 0 40 GJAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@H]2c1cccc(OC)c1OC 15024273 VQIZEMZOHPZSDU-KEQGGVEFSA-N 384.472 4.867 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc3c2CCCC3)cc1 15302642 WRDNTSUWDJMDTF-UHFFFAOYSA-N 390.483 4.930 0 40 GJAB Clc1ccc(COc2ccc(CNCc3ccc4c(c3)OCO4)cc2)cc1 16401632 YCASSMIEQHTBBB-UHFFFAOYSA-N 381.859 4.938 0 40 GJAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCCC)c1 16751966 BGYIGMPYDQSYKA-OAQYLSRUSA-N 391.467 4.927 0 40 GJAB COc1cc2c(cc1OC)[C@@H](CNC(=O)Cc1ccccc1F)C1=C2CCCC1 19550716 DGPQUEXMWYGFKX-FQEVSTJZSA-N 395.474 4.627 0 40 GJAB CC(C)(C)c1cc([C@@H](c2ccccn2)N2CCOCC2)cc(C(C)(C)C)c1O 19790506 FHIRILMXIWNDLT-NRFANRHFSA-N 382.548 4.804 0 40 GJAB Cc1cc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc(C)c1Br 20487239 WUSJNBFIDDCELO-GOSISDBHSA-N 388.305 4.639 0 40 GJAB Cc1sc2nc(CN3CCC(C)CC3)nc(NCCc3ccccn3)c2c1C 21274952 DOGNBAYXPHPRIV-UHFFFAOYSA-N 395.576 4.590 0 40 GJAB CS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)ccc1Cl 22972852 MACBCFFWOSKTBI-UHFFFAOYSA-N 397.883 4.567 0 40 GJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCc3sccc3[C@H]2C)o1 23967963 RYALUVDKTMIJBS-CYBMUJFWSA-N 392.484 4.881 0 40 GJAB CCCC[C@]1(c2ccccc2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 25515082 CKRDIVKXZXJDPR-OAQYLSRUSA-N 395.484 4.541 0 40 GJAB COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1Cl 27662196 ZZLQVXQJSHWNMT-FQEVSTJZSA-N 386.923 4.614 0 40 GJAB Nc1c(C(=O)N2CCCCC2)oc2nc(-c3ccccc3)c3c(c12)CCCC3 31820669 VPZNKPLNUISNCX-UHFFFAOYSA-N 375.472 4.582 0 40 GJAB COc1cc(/C=C2\SC(=S)N=C2O)ccc1OCc1ccccc1F 33387911 DAOSQSCQJNLLGL-SXGWCWSVSA-N 375.446 4.742 0 40 GJAB Cc1cc2ncn(CC3CCN(C(=O)c4cccc(Cl)c4)CC3)c2cc1C 38488446 UJNGHLPKNGVQBK-UHFFFAOYSA-N 381.907 4.859 0 40 GJAB CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 44936780 HQUZGCIFWTXAGL-FYYLOGMGSA-N 382.523 4.941 0 40 GJAB COc1ccc(Nc2c(-c3nc(C)no3)cnc3nc(C)ccc23)cc1Cl 49420748 QOEQQIXLMQYNTH-UHFFFAOYSA-N 381.823 4.702 0 40 GJAB CCOC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccccc2Cl)c1C 58196543 MCQQQEKFSHVHES-ZDUSSCGKSA-N 375.856 4.656 0 40 GJAB O=C(COc1ccc(Cl)c2cccnc12)N1CCC[C@@H]1c1ccc(F)cc1 58356963 DWNCNUAKSUODFK-GOSISDBHSA-N 384.838 4.770 0 40 GJAB O=C(Nc1c(F)cccc1F)c1ccc(C(=O)Nc2c(F)cccc2F)s1 84339139 KDUIYKNURVNDRD-UHFFFAOYSA-N 394.349 4.809 0 40 GJAB CCn1c(SCC2(COc3cccc(COC)c3)CCC2)nnc1C1CC1 89302523 SZOVCFZGFLQBRI-UHFFFAOYSA-N 387.549 4.663 0 40 GJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)c2C(N)=O)C1 102624450 NEEWECOJLDTDDK-YXWQFLTLSA-N 388.577 4.763 0 40 GJAB COc1ccc([C@@H]2CC3=Nc4nc(C)nn4[C@@H](c4ccccc4)C3=C(O)C2)cc1 102715054 UODIEKVFTSZTSA-VGSWGCGISA-N 386.455 4.660 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC 223853512 PQJTZSUUVJRSAD-KRWDZBQOSA-N 387.351 4.817 0 40 GJAB CCCCOc1ccc(NC(=O)N2CC[C@H](c3ccc4c(c3)OCO4)C2)cc1 225680072 SAZCGQDRCPWOCV-KRWDZBQOSA-N 382.460 4.616 0 40 GJAB S=C(Nc1cccc(Br)c1)NC1(c2cccnc2)CCCC1 225845673 UPTJHKIAVOTLBS-UHFFFAOYSA-N 376.323 4.600 0 40 GJAB CCc1nc2ccc(C(=O)N3CCc4cc(-c5ccncc5)ccc43)cc2s1 238854871 JVIIRNIECPKDDX-UHFFFAOYSA-N 385.492 5.124 0 40 GJAB CC(C)(C)OC(=O)N1CCC(c2cn3cccc3c(Nc3ccccn3)n2)CC1 257216593 CVFRSJAIZYQIAE-UHFFFAOYSA-N 393.491 4.587 0 40 GJAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)c(C)c1 408696332 ZUNINFSEYUIFSQ-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccccc3)n2)c1 408698860 QCOHXOWJDRPTCO-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc3ccc(OC)cc3[nH]2)cc1 514835340 GQOFZUZOKFQGMK-ZDUSSCGKSA-N 397.500 4.674 0 40 GJAB CCC1CCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)CC1 569906862 XFBQFLRLOGJCSX-UHFFFAOYSA-N 376.456 4.583 0 40 GJAB Cc1c(CSC(C)C)cccc1NC(=O)N1Cc2c[nH]nc2CC(C)(C)C1 596004128 ZGIBRHOGMICIAN-UHFFFAOYSA-N 386.565 4.976 0 40 GJAB COc1cccc2[nH]c(C(=O)NCCc3cn(C(C)C)c4ccccc34)cc12 604419386 HDBRBRIXJLDWCO-UHFFFAOYSA-N 375.472 4.685 0 40 GJAB O=C(CSc1ccc(F)cc1)NC[C@H](O)c1ccc(-c2cccs2)s1 606440658 NMJKWWKYDMETCA-AWEZNQCLSA-N 393.530 4.558 0 40 GJAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)C3CCCC3)CC2)C1 643570711 PCSIEVBHRBSGIG-UHFFFAOYSA-N 398.591 4.523 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@H](O)c1cc(-c2ccco2)cs1 1775969139 YUVNTCWEOOENBE-IBGZPJMESA-N 377.465 4.554 0 40 GJAB COCCN1C(=O)N(c2cccc(Cl)c2)[C@@H]2[C@H](c3ccccc3F)CC[C@@H]21 2037838456 HTOZASCZQUBWPL-YSIASYRMSA-N 388.870 4.682 0 40 GJAB COc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccncc2)cc1 872683 FAJWMTULPQJCBU-UHFFFAOYSA-N 388.496 4.939 0 40 GJAB Cc1cccc2cc([C@@H]3NC(=O)c4c(sc5c4CCCC5)N3)c(Cl)nc12 976989 QCLJDOOLALEFMA-GOSISDBHSA-N 383.904 4.991 0 40 GJAB CCCCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc21 2337197 MUTKKOYZIAZLOL-UHFFFAOYSA-N 381.524 4.523 0 40 GJAB COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3F)no2)cc1 2395511 RCPBZGMQEAGSHV-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB O=C(c1cc(-c2ccccc2)nc2ccc(Br)cc12)N1CCCC1 2758428 LYUKCOKFSVXPNE-UHFFFAOYSA-N 381.273 4.900 0 40 GJAB CCCn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4033372 NESFLZLSHCKYPZ-AWEZNQCLSA-N 398.304 4.729 0 40 GJAB Cc1ccccc1Cn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 4033510 FRDLUHSNCRJDKO-QFIPXVFZSA-N 395.506 4.909 0 40 GJAB O=C(Cn1c(-c2cncs2)nc2ccccc21)Nc1ccc(F)c(Cl)c1 4624190 XGMMISDYZTXQKH-UHFFFAOYSA-N 386.839 4.591 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)c1cccc(I)c1 5714111 XJYXOEXVGFQWHJ-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)n2)cc1 5867975 WGAFQWSPMGZBMZ-AWEZNQCLSA-N 376.485 4.933 0 40 GJAB COc1ccccc1-n1c(S[C@@H]2CCCCC2=O)nnc1-c1cccs1 6035889 AGBNZYNKFACOCA-MRXNPFEDSA-N 385.514 4.608 0 40 GJAB COc1ccc(O)c(C(=O)CCCCCCC(=O)c2cc(OC)ccc2O)c1 6181657 JGEQBMGTNJUOSH-UHFFFAOYSA-N 386.444 4.521 0 40 GJAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccccc1Cl 6351647 ADNVZILMNDVCIZ-UHFFFAOYSA-N 381.815 4.928 0 40 GJAB Cc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1Cl 6478256 OVGRKZDVGBOXFY-UHFFFAOYSA-N 397.891 4.684 0 40 GJAB CCN(C(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1)c1ccc(F)cc1 6536763 CPIYBJUQBJEOGB-UHFFFAOYSA-N 385.464 4.638 0 40 GJAB Cc1ccc(-c2csc(NC(=O)Cn3c(C)c(C=O)c4ccccc43)n2)cc1 6627512 GMLSYDWQJAAQRX-UHFFFAOYSA-N 389.480 4.833 0 40 GJAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCc2sccc2[C@@H]1c1cccs1 7118847 AMNBHHKERNJNRN-HXUWFJFHSA-N 391.521 4.988 0 40 GJAB COc1ccc(CCNCc2ccc(OCc3cccs3)cc2)cc1OC 8493620 USRBUGAZRHOHQF-UHFFFAOYSA-N 383.513 4.677 0 40 GJAB CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)c1 8917233 BWNYJVZYKUXNLN-FQEVSTJZSA-N 377.440 4.537 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1cc(-c2ccccc2)ncn1 12016759 SEZKVIBSGKKZGL-CYBMUJFWSA-N 399.903 4.925 0 40 GJAB CN(C)c1nc2ccccc2cc1CN[C@H](Cc1ccsc1)c1nccs1 12325681 VPWPYXCMKKQNRV-LJQANCHMSA-N 394.569 4.892 0 40 GJAB C[C@@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)Nc1ccccc1F 12604118 ZWVLTDUBJJXXGB-GFCCVEGCSA-N 375.856 4.784 0 40 GJAB C[C@@H](C(=O)Nc1ccc2ccccc2c1)N(C)Cc1ccccc1N1CCCC1 12650994 DHSAIHYCAOTDIO-IBGZPJMESA-N 387.527 4.899 0 40 GJAB CCCCC(=O)Nc1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 14405080 QSRYZXQQTFREHP-UHFFFAOYSA-N 390.487 4.870 0 40 GJAB COc1ccc(-c2noc(CN(C)Cc3cccc(Cl)c3Cl)n2)cc1 15299686 PJAQIQAWPNNPQY-UHFFFAOYSA-N 378.259 4.684 0 40 GJAB COc1cc(CCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc(OC)c1 15545105 XRKLBLSIQKRPFJ-QFIPXVFZSA-N 381.497 4.604 0 40 GJAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(CC3CCCCC3)CC[C@H]21 19081612 ILWJSGQDGPNAHN-NJDAHSKKSA-N 388.621 4.991 0 40 GJAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)c2ccccc2F)n1 19558341 IBJJOLWGXBEUBL-LJQANCHMSA-N 394.450 4.563 0 40 GJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Br)cc1 20138287 ATTQBLAQSXLXEO-UHFFFAOYSA-N 386.245 4.762 0 40 GJAB Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2)c2cnn(Cc3cccs3)c2n1 25617961 WHUNVFRXHOLEBD-MRXNPFEDSA-N 390.512 4.683 0 40 GJAB O=C(/C=C/c1ccc2c(c1)OCO2)N(CCc1ccccc1)Cc1cccs1 25669358 VGIHWOBQHXISME-PKNBQFBNSA-N 391.492 4.762 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 27530289 WEFQADLGVZVPOZ-JOCHJYFZSA-N 380.532 4.560 0 40 GJAB CCOC(=O)Cc1csc(SCc2ccc(Cl)c3cccnc23)n1 31650364 VBOSWHSRJBUWLX-UHFFFAOYSA-N 378.906 4.743 0 40 GJAB O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1Cl 32930595 QHJYMKVFEYCMIH-UHFFFAOYSA-N 387.266 4.897 0 40 GJAB CCOc1ccccc1Nc1nnc(SCC[C@@H]2CCCCN2C)s1 32945159 YPQJOUNTLXKVES-AWEZNQCLSA-N 378.567 4.647 0 40 GJAB CC(C)(C)c1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)cc1 35673004 AVEHNNUCYFQDHG-UHFFFAOYSA-N 383.879 4.660 0 40 GJAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)C(c1ccccc1)c1ccccc1 38944083 SEIJLHLWRJCASC-UHFFFAOYSA-N 398.506 4.622 0 40 GJAB COc1ccc([C@@H](Nc2ncc(C(F)(F)F)cc2Cl)c2nccn2C)cc1 40018067 NLWSQXSKHFJYIE-OAHLLOKOSA-N 396.800 4.697 0 40 GJAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc2oc(C3CC3)nc2c1 40081617 QFUSJGQKFQXLKM-UHFFFAOYSA-N 379.441 4.911 0 40 GJAB Cc1c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)oc2c1C(=O)CC(C)(C)C2 47247964 YTAFZXQMXJKUBU-NRFANRHFSA-N 388.467 4.658 0 40 GJAB COc1ccccc1[C@H](C)N[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 57679462 UXPAFUNOVCFBGT-OALUTQOASA-N 388.511 4.640 0 40 GJAB Cc1cc2cc(NC(=O)[C@@H](C(C)C)n3cnc4cc(F)c(F)cc43)ccc2[nH]1 61381163 GOGHABYOPOIKJJ-HXUWFJFHSA-N 382.414 4.940 0 40 GJAB C=Cc1ccc(Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)cc1 67258324 RENSHSKZEWECKU-UHFFFAOYSA-N 394.883 4.559 0 40 GJAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1 67292750 UHXGVCOVZGTXMY-UEAMBXKFSA-N 396.874 4.536 0 40 GJAB CC(C)c1nnc(NC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)s1 69949191 LHWDBJLYBHDTGO-CHWSQXEVSA-N 384.530 4.960 0 40 GJAB COCCn1ccc2c(NC(=O)Cn3ccc4c(Cl)cccc43)cccc21 70666518 OEQHAVSGURFYSW-UHFFFAOYSA-N 381.863 4.535 0 40 GJAB biogenic Cc1cc([C@H](O)CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C)o1 85561699 XEHSIOZBAFNMEY-LJQANCHMSA-N 375.896 4.602 0 40 GJAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(C)c3)C2)cc1 89632076 CAOFEYTVHXHHNC-QHCPKHFHSA-N 390.508 4.843 0 40 GJAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)C12CC3CC(CC(C3)C1)C2 90613582 KBJGYZWQCQCPKT-IPAUSASBSA-N 387.570 4.724 0 40 GJAB Brc1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)o1 96193979 FCTGPOMURFVVQC-UHFFFAOYSA-N 387.218 4.622 0 40 GJAB O=C(NCc1cccc(Oc2ccccn2)c1)c1ccc(OC(F)(F)F)cc1 96382480 ORNVOHZBRZSPSD-UHFFFAOYSA-N 388.345 4.703 0 40 GJAB O=C1N=C(Nc2cccc(F)c2)/C(=C/c2c(Cl)nc3sccn23)S1 97971117 RDAHQYNTNFWFBJ-XFFZJAGNSA-N 378.841 4.907 0 40 GJAB COCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100632861 PTUWZIHJUNFZQP-HYUJZPPJSA-N 390.527 4.749 0 40 GJAB CC(=O)N[C@@H](CC(=O)N(c1ccc(C)cn1)C1CCCCC1)c1ccc(C)cc1 108203090 AXTNLXZNAIUZQD-QFIPXVFZSA-N 393.531 4.632 0 40 GJAB CCc1ccc(OCC(=O)N(C)Cc2ccc(Cl)cc2)c(Br)c1 216433795 PIDVLURYQXEYQB-UHFFFAOYSA-N 396.712 4.702 0 40 GJAB COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccc(Cl)c(Cl)c1 216907025 BCHRTJBREJNOGK-QPJJXVBHSA-N 392.242 4.717 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cccc(Cl)c1 219292588 CXNWASNTRXFGTR-UGSOOPFHSA-N 389.879 4.535 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222908093 BSPGXDVQAVYLMN-HXUWFJFHSA-N 383.488 4.957 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1 223326739 AHZRCQISLGECBJ-JOCHJYFZSA-N 383.557 4.772 0 40 GJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1C 224262704 OAZCTWFRLYUPPS-LEWJYISDSA-N 376.529 4.522 0 40 GJAB COc1ccc(NC(=S)NCCSCc2ccccc2Cl)c(OC)c1 225295767 HWVIWOXVEWKAAF-UHFFFAOYSA-N 396.965 4.577 0 40 GJAB CSc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1 408972519 UUQLKOROKXHTAZ-UHFFFAOYSA-N 388.920 4.553 0 40 GJAB Brc1cccc(C2(CNc3cnc4ccccc4n3)CCOCC2)c1 515501909 WHOKGJTUKHCSBD-UHFFFAOYSA-N 398.304 4.553 0 40 GJAB Cc1ccc(CN2CCOCCOc3ccccc3Oc3ncccc3C2)cc1 643566877 YOEKMXPZMGFWHR-UHFFFAOYSA-N 390.483 4.594 0 40 GJAB O=C(Nc1ccnc(Oc2ccccc2Br)c1)N1CC[C@@H]2C[C@@H]2C1 666172268 XVXOJCLXCNQSGI-CHWSQXEVSA-N 388.265 4.510 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)CCc2ccccc2F)CN1c1ccc(F)cc1 1615123779 VHLZAOWCDKECPW-XMMPIXPASA-N 398.497 4.948 0 40 GJAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(c2ccc(Oc3cccc(F)c3)cc2)C1=O 1615613400 UTYDNNXUOVNDGP-QFIPXVFZSA-N 394.377 4.729 0 40 GJAB Cc1ccc2nc(-c3ccco3)cc(C(=O)N[C@@H](C)Cc3ccc(O)cc3)c2c1 1622768565 AJEAGOHEGVBFFK-INIZCTEOSA-N 386.451 4.870 0 40 GJAB Cc1cccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)c1C 853637 QBLYIFWENGCIBD-UHFFFAOYSA-N 383.542 4.918 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCc4ccc(C(=O)O)cc4)n3c2c1C 903220 IPOWOVZNBIZKGK-UHFFFAOYSA-N 377.469 4.798 0 40 GJAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1ccc2c(c1)OCO2 924390 FMHUGIBLYYWCDH-UHFFFAOYSA-N 380.469 4.620 0 40 GJAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=S)NC1CCCCC1 2335885 QPAIQGAZFHQTCA-UHFFFAOYSA-N 379.913 4.617 0 40 GJAB Cc1nc(N2CCN(c3ccccc3Cl)CC2)c2oc3ccccc3c2n1 2422923 HABNMNZCFMOLPV-UHFFFAOYSA-N 378.863 4.664 0 40 GJAB COC[C@@H](C)n1c(SCc2ccc(F)cc2Cl)nc2ccccc2c1=O 2619656 HXERIZHLHFVARF-GFCCVEGCSA-N 392.883 4.689 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccccc2)sc(C)c1CC 2736953 FZUULAUDPHYQLK-INIZCTEOSA-N 375.490 4.592 0 40 GJAB Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=S)NCC(C)C 2793789 YMDFMYHZWGJHNQ-UHFFFAOYSA-N 384.471 4.509 0 40 GJAB N=C1c2ccccc2CN1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 3190844 JUEANPLJFVHKAY-UHFFFAOYSA-N 396.425 4.527 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nn1-c1ccccc1 3273332 PAVNHELOWFVJNW-UHFFFAOYSA-N 383.407 4.520 0 40 GJAB O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl 4174068 DJYRUYIICHGFMQ-OAQYLSRUSA-N 396.899 4.880 0 40 GJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1[C@@H](CO)Cc1ccccc1 4731426 RVBXGOSYXHFXPE-CLOONOSVSA-N 396.490 4.625 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc2ccccc2c1 5152771 LUCZWDIFPNDKDR-HSZRJFAPSA-N 382.463 4.967 0 40 GJAB FC(F)=C(F)CCSc1ncn(-c2ncc(C(F)(F)F)cc2Cl)n1 5749201 AFFJSYPFSHOUND-UHFFFAOYSA-N 388.724 4.894 0 40 GJAB COc1cccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 6623876 NPLPYPZIYVJJBT-UHFFFAOYSA-N 391.423 4.654 0 40 GJAB biogenic O=C(Oc1ccccc1F)c1nc(SCc2ccc(F)cc2)ncc1Cl 6748001 DOVHRPFUPJGSNG-UHFFFAOYSA-N 392.814 4.920 0 40 GJAB COc1ccccc1CC(=O)N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 7281307 PKQBEVPNAMGTJH-JOCHJYFZSA-N 397.421 4.745 0 40 GJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CC[C@H]3CCCC[C@@H]3C2)o1 7590712 GHEZEQSOIUMALB-SJLPKXTDSA-N 378.476 4.712 0 40 GJAB C[C@H](NC(=O)CN(Cc1ccco1)Cc1ccco1)c1cccc2ccccc12 7727074 OMZOGCAXNMLEGC-SFHVURJKSA-N 388.467 4.905 0 40 GJAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 7928331 ACDZPZCFXDQVSQ-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)s1 7995439 NQWSOHHHWIMOSH-UHFFFAOYSA-N 394.319 4.898 0 40 GJAB CC(C)n1ncc2c(C(=O)N[C@H]3CCSc4ccccc43)cc(C3CC3)nc21 8039503 GEIQXLNEBNAEQN-SFHVURJKSA-N 392.528 4.857 0 40 GJAB O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1)c1cccc(Cl)c1 8470156 ODLQJOHLCAPAHB-UHFFFAOYSA-N 394.814 4.543 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 8833500 AWRCXUINJCVXDO-UHFFFAOYSA-N 377.469 4.648 0 40 GJAB c1ccc(OCCOCCN2CCC(c3nc4ccccc4s3)CC2)cc1 9420867 MVOJTEIZAKVVNG-UHFFFAOYSA-N 382.529 4.571 0 40 GJAB CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1Cl 9461431 HZRNSUIRZLXQDE-UHFFFAOYSA-N 382.891 4.932 0 40 GJAB Cc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1Cl 10213738 HAUMITFPYBBHEW-UHFFFAOYSA-N 380.883 4.921 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11072206 YEICXWLLLSUKAT-HNNXBMFYSA-N 380.875 4.905 0 40 GJAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(N2CCCC2=O)c1 11916448 GGZZQIACYDWEAZ-UHFFFAOYSA-N 386.879 4.573 0 40 GJAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cccs3)n2)cc1 12441929 VMRPGZFXDLGGBJ-UHFFFAOYSA-N 380.498 4.926 0 40 GJAB COc1ccc(CNC(=O)C2(c3cccc(Br)c3)CCCC2)cc1 12825255 UFSNFYZOMDTKDP-UHFFFAOYSA-N 388.305 4.586 0 40 GJAB C[C@@H](C(=O)NC1CCCCCC1)n1nc(-c2cccs2)c2ccccc2c1=O 12925351 JZEWYWIIKACNCP-HNNXBMFYSA-N 395.528 4.525 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc4[nH]ncc4c3)c3ccccc3C2=O)cc1 13228411 MPDAWKHPVNVKTK-STZFKDTASA-N 394.434 4.511 0 40 GJAB O=C(CCc1ccsc1)Nc1ccnn1Cc1cccc(Cl)c1Cl 15239972 VQMVKKZALZOSDT-UHFFFAOYSA-N 380.300 4.871 0 40 GJAB C[C@@]12C[C@@H](NC(=S)N1c1ccccc1F)c1cc(Br)ccc1O2 15861361 BIBFRMMVFXRVGA-CXAGYDPISA-N 393.281 4.523 0 40 GJAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccccc1Oc1ccccc1 17084869 WBUHAGLMUHIFPZ-HXUWFJFHSA-N 390.464 4.921 0 40 GJAB COc1ccc(CCN2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)cc1 19217605 YTVLAWOHNJKRLK-QGZVFWFLSA-N 383.517 4.537 0 40 GJAB CCc1cc(C(F)(F)F)c2c(C3CCN(C(=O)C4CCCC4)CC3)noc2n1 19522040 KHLSIDMHFDEBQD-UHFFFAOYSA-N 395.425 4.700 0 40 GJAB CCn1nc(C(C)C)cc1C(=O)N(Cc1ccc(Cl)cc1)Cc1cccnc1 19524120 MEQINSIRXMKCOW-UHFFFAOYSA-N 396.922 4.917 0 40 GJAB CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)Cc3ccc(F)cc3)cc2)C1 19711939 NURARCIGXMPSHU-RPWUZVMVSA-N 398.522 4.546 0 40 GJAB CN1CCN([C@@H]2Cc3ccccc3Sc3cc(C(F)(F)F)ccc32)CC1 19802414 LYSTXBLNUSUUQY-QGZVFWFLSA-N 378.463 4.701 0 40 GJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N[C@@H](C)CCc1ccccc1 22245528 XIIMTVIEUANPRF-INIZCTEOSA-N 379.529 4.971 0 40 GJAB O=C(OCc1cc(-c2cc3ccccc3o2)on1)c1cc2ccccc2oc1=O 22769088 CQPBDTCOAZFNID-UHFFFAOYSA-N 387.347 4.551 0 40 GJAB O=C(N[C@H]1CCOc2ccccc21)c1ccccc1SCc1cscn1 24840494 ZDHYPDUZCNYIBO-KRWDZBQOSA-N 382.510 4.689 0 40 GJAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccc(C)n1 27824531 PGIKSNPJKLTUDW-UHFFFAOYSA-N 382.913 4.722 0 40 GJAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(COc3ccccc3Br)o2)C1 27971100 QNCHGEQPRDOGNC-OKILXGFUSA-N 392.293 4.739 0 40 GJAB CSc1ncc(Br)c(C(=O)Sc2ccc(Cl)cc2)n1 27994776 BGRLHTSEGQXKDN-UHFFFAOYSA-N 375.700 4.547 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(C(C)(C)C)cc1 28189378 AJOWMJOAAJYYEP-UHFFFAOYSA-N 399.516 4.523 0 40 GJAB Cc1ncc(-c2ccc(NC(=O)/C=C/c3c(C)nc4sc(C)cn34)cc2)o1 29858175 JPWSDUPGWNIMKU-CMDGGOBGSA-N 378.457 4.628 0 40 GJAB COc1ccc(SCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 30870156 BSXNQKNTVBPOFF-HNNXBMFYSA-N 387.545 4.971 0 40 GJAB O=C(c1cccc(Br)c1)N1CCC[C@H](c2nc3ccccc3o2)C1 31128503 NARBFHAFECKTSE-AWEZNQCLSA-N 385.261 4.610 0 40 GJAB COc1ccccc1-c1noc(CSc2ccc(-c3ccccc3F)nn2)n1 33267988 JPXLWAWOPBKJOY-UHFFFAOYSA-N 394.431 4.634 0 40 GJAB Cc1cc(C(Br)(Br)Br)nc2ccccc12 36381167 JIDRDFBCCOKGMW-UHFFFAOYSA-N 393.904 4.838 0 40 GJAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1F 36446876 ATBWPTNYDGETEX-FQEVSTJZSA-N 386.517 4.843 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)c(C)c1 44883226 IXNDFKIBIWFXRJ-OAHLLOKOSA-N 376.294 4.631 0 40 GJAB O=c1[nH]c(N2CCc3ccccc3C2)nc2c(-c3cccc(Cl)c3)csc12 48988955 ISWLQESIUZFPTP-UHFFFAOYSA-N 393.899 4.868 0 40 GJAB COc1cc(Nc2ccnc3cc(Br)ccc23)cc(OC)c1OC 54202340 JVUVMZJTEXYQNS-UHFFFAOYSA-N 389.249 4.767 0 40 GJAB O=C(c1ccc2c(c1)OCCCO2)N(Cc1ccccc1C(F)(F)F)C1CC1 58378511 YADSXAKQTQYTMG-UHFFFAOYSA-N 391.389 4.672 0 40 GJAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cc(Br)cnc1Cl 60359019 XUMBXEUJTBSBMX-GFCCVEGCSA-N 395.728 4.984 0 40 GJAB Cc1cc(C(C)(C)C)cc(C)c1C[S@@](=O)Cc1csc(-c2ncccn2)n1 71846946 WXFNWCQSXGLAAW-HHHXNRCGSA-N 399.585 4.963 0 40 GJAB CCn1ccnc1CN1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 72358236 UXLFIHKRAZKJLF-OAQYLSRUSA-N 380.923 4.879 0 40 GJAB C[S@](=O)Cc1c(C(=O)Nc2ccc3ncccc3c2)sc2ccccc12 89493126 SOTNUODZRLBFRZ-AREMUKBSSA-N 380.494 4.580 0 40 GJAB O=C(Nc1ncccc1OCc1ccncc1)c1cc(F)c(Cl)cc1Cl 95947017 CNFIBGGISDWQHB-UHFFFAOYSA-N 392.217 4.754 0 40 GJAB O=C(/C=C/c1cccs1)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119659 RZZASRURNVEEKO-MDZDMXLPSA-N 377.425 4.634 0 40 GJAB O=C1O[C@H](CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)CN1c1ccccc1 97002810 AVMRGZGIBIDZSR-DENIHFKCSA-N 375.472 4.720 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 97286369 IDPSTQYYMAQZRY-INIZCTEOSA-N 395.890 4.560 0 40 GJAB Cc1nc2cc(-c3sccc3-n3cccc3)nn2c(O)c1Cc1ccccc1 100915987 XVXUHLPPKVTPRA-UHFFFAOYSA-N 386.480 4.853 0 40 GJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)c2C(N)=O)C1 102173090 NEEWECOJLDTDDK-KQTLUZQSSA-N 388.577 4.763 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1[C@H]1CCCN(Cc2ccccc2)C1 106159622 GWAUMLQKPZBCMR-RBBKRZOGSA-N 382.935 4.857 0 40 GJAB 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[C@]12C 118924261 HZUUHCXBSGFHDC-LSXNRQBNSA-N 376.537 4.750 0 40 GJAB COC(=O)c1c(C)n(C(=O)COc2cc(C)c(Cl)c(C)c2)c2ccccc12 216785882 PSMKWQLTZURXRH-UHFFFAOYSA-N 385.847 4.726 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219319734 WMFVWKHKXQXPNP-GOSISDBHSA-N 399.878 4.514 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 222802047 BUWNGAQIGFYGPT-MOPGFXCFSA-N 383.904 4.987 0 40 GJAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1Cl 224221021 MLWPLZQVIRWITB-QGZVFWFLSA-N 389.879 4.780 0 40 GJAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1cccc2ccccc12 224636982 NMKYBOWZVMCPAM-QGZVFWFLSA-N 393.483 4.582 0 40 GJAB Cc1cccc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)c1 224875406 KJDYOMCZSGTEJL-UHFFFAOYSA-N 385.261 4.984 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(c2cccc(Cl)c2)CC1 224972647 GBWXKAXRFNXSCJ-UHFFFAOYSA-N 390.914 4.898 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccnc(-c2ccco2)c1 225655621 WPFCNAZFANUEIT-UHFFFAOYSA-N 375.255 4.897 0 40 GJAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(=O)OC 225675210 JNBBMBPIYCLFME-UHFFFAOYSA-N 381.472 4.713 0 40 GJAB O=C(N[C@]1(C(=O)O)C[C@@H]1c1ccccc1)OCC1c2ccccc2-c2ccccc21 253189871 ZUHVSHCCMGDQNS-RCZVLFRGSA-N 399.446 4.536 0 40 GJAB Cc1cccn2cc(-c3ccccc3NC(=O)c3ccc4nccnc4c3)nc12 390827602 IFBVTBHFPVEIOV-UHFFFAOYSA-N 379.423 4.505 0 40 GJAB O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@@H](O)c1ccc(Cl)c(Cl)c1 1539322540 KCPJDKGBWUFJLJ-ZBFHGGJFSA-N 386.275 4.519 0 40 GJAB O=C(CCSc1ccccc1)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 1775966781 YRYMONRWEKKDHY-HXUWFJFHSA-N 383.538 4.747 0 40 GJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(N(C)C)cc1 949030 HENRHKNYOWCHHV-UHFFFAOYSA-N 379.460 4.620 0 40 GJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccccc3C)c2c1 952857 HKQFJEUYLJIMPR-UHFFFAOYSA-N 378.428 4.640 0 40 GJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCCCC1 1177149 FBGDQCIZFYVPOZ-SDNWHVSQSA-N 375.447 4.704 0 40 GJAB Cc1nc2sc3c(c2c2nc(-c4ccc(N(C)C)cc4)nn12)C[C@H](C)CC3 2330085 DRYNTWVZWWYHND-GFCCVEGCSA-N 377.517 4.505 0 40 GJAB Cc1ccc(N[C@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)cc1 3109688 UQQBUYWAMOOXMI-OAHLLOKOSA-N 375.658 4.672 0 40 GJAB CC(C)c1ccccc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1 3262597 DQIDKPNVGOPPNQ-UHFFFAOYSA-N 379.378 4.553 0 40 GJAB COc1ccc2c(CSc3ncnc4sc(C)c(C)c34)cc(=O)oc2c1 3308861 ZUMUKRQBJNQBCZ-UHFFFAOYSA-N 384.482 4.715 0 40 GJAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1 3430889 DLNJYTAQYVVKNK-UHFFFAOYSA-N 380.300 4.993 0 40 GJAB O=C(Cc1ccccc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 4167077 SDCVBHGDUVUCPS-UHFFFAOYSA-N 390.430 4.730 0 40 GJAB COc1cccc(-c2nnc(NC(=O)c3cccc(Oc4ccccc4)c3)o2)c1 4276056 HHQKOFMIEAHVJK-UHFFFAOYSA-N 387.395 4.790 0 40 GJAB CC(=O)Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12 4342007 YHQYJTRGQRQHPW-UHFFFAOYSA-N 378.306 4.542 0 40 GJAB CCCCC(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 4354085 IPZJIXOJRHSQFW-UHFFFAOYSA-N 394.427 4.585 0 40 GJAB O=C(NCCc1csc(-c2cccc(F)c2)n1)c1cccc(C(F)(F)F)c1 5137465 SSHLPYCBUGYXCT-UHFFFAOYSA-N 394.393 4.941 0 40 GJAB Cc1nc(SCC(=O)NCc2ccco2)c2cc(-c3ccccc3)sc2n1 5212819 ICGYAUONUQXSPP-UHFFFAOYSA-N 395.509 4.668 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 5244180 UUMNPPXSECOPBJ-UHFFFAOYSA-N 394.393 4.575 0 40 GJAB COc1ccc2ccc(OCC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)cc2c1 5365609 YQCQJDFEYMMJLZ-JOCHJYFZSA-N 393.483 4.707 0 40 GJAB C=C1C[C@@H]2[C@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 5383438 YCDZXIYKJHQMIG-BZRZIXHKSA-N 384.516 4.575 0 40 GJAB CC[C@H](C)c1cc2c(cc1[C@@H](C)CC)OCCOCCOCCOCCO2 5715435 XHJKANYIENENGN-ROUUACIJSA-N 380.525 4.535 0 40 GJAB CCCN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O 6323879 TXCFAEOUYSSIBI-YVLHZVERSA-N 386.429 4.918 0 40 GJAB CCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)c1 6752949 QUHMZMZZGKDJNZ-QFIPXVFZSA-N 391.471 4.526 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)s2)cc1 6832164 ARPRVHJPZFQPNM-UHFFFAOYSA-N 384.530 4.938 0 40 GJAB c1ccc(-n2nc(SCc3nc(-c4ccsc4)no3)nc2C2CC2)cc1 7538473 RHPYZWRTXDECFM-UHFFFAOYSA-N 381.486 4.549 0 40 GJAB O=C(Nc1ccnn1Cc1ccccc1)c1cccnc1Sc1ccccc1 7719229 MRSVBMSEZMCKSB-UHFFFAOYSA-N 386.480 4.730 0 40 GJAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 7928325 PTYZFHVRYACAAN-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCO2 8187084 YYFUNYMPIKXDSX-UHFFFAOYSA-N 397.434 4.829 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nncn2C2CC2)c2ccccc2)c1 8735487 JPUUVFJPSJELAK-LJQANCHMSA-N 378.501 4.702 0 40 GJAB COc1cc(SC)ccc1C(=O)Nc1nnc(C[C@@H](C)c2ccccc2)s1 9095445 XQMPNOXLCOOCHM-CYBMUJFWSA-N 399.541 4.867 0 40 GJAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1nc2ccc(F)cc2s1 12628855 ZBLFWHNWHRDSFN-UHFFFAOYSA-N 386.477 4.823 0 40 GJAB COc1ccc(-n2c(SCc3cn4ccccc4n3)nc3ccccc32)cc1 12655178 YMXFYVZIPDTUDW-UHFFFAOYSA-N 386.480 4.974 0 40 GJAB COc1ccc(CNC(=O)[C@H](C)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 12748894 OZKUOYRIHSFJPP-MOPGFXCFSA-N 388.511 4.718 0 40 GJAB CC(=O)c1c(C)nc(-c2ccco2)nc1S[C@@H](C)C(=O)Nc1cccc(F)c1 12772342 HIBRPIDQIQAPGL-ZDUSSCGKSA-N 399.447 4.506 0 40 GJAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)c1 12773903 ROZCJVNVOITUAG-UHFFFAOYSA-N 389.386 4.792 0 40 GJAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccc3ccccc23)s1 12976355 FWLGOHDNACYDEJ-UHFFFAOYSA-N 385.448 4.990 0 40 GJAB COc1cccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3C)cs2)c1OC 13019798 MRUOKTNJNIRVDY-AWEZNQCLSA-N 382.485 4.627 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 13365533 LBKAVIIAGJSACU-IBGZPJMESA-N 389.842 4.909 0 40 GJAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(Cl)cc1 13788210 CWCPPZOBSHXKOP-UHFFFAOYSA-N 382.891 4.932 0 40 GJAB CCc1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)c2ccccn2)cc1 15669874 XGIPMEMSMRYPPX-UHFFFAOYSA-N 384.435 4.597 0 40 GJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccccn3)cc2N1 19451298 PPQIESSCKGCQRH-CGTJXYLNSA-N 393.457 4.559 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccccc2Cl)cc1 20494660 OKQLCWQRMCCYIU-AWEZNQCLSA-N 395.977 4.879 0 40 GJAB COc1ccc(CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 21790227 XQYZAPDITVEAGC-UHFFFAOYSA-N 376.481 4.685 0 40 GJAB COc1cc(C2SCCS2)ccc1OC(=O)[C@@]1(C)CC1(Cl)Cl 22191741 YHSAZPMMOVQQTR-CQSZACIVSA-N 379.330 4.663 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 24707562 IKUVXBZWHXDYOJ-KGLIPLIRSA-N 390.936 4.988 0 40 GJAB C[C@H](NCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)c1ccco1 24985063 QRHDYFKUAHGKTE-LPHOPBHVSA-N 378.497 4.810 0 40 GJAB COc1ccc(NC(=O)c2nc(SC)ncc2Cl)cc1Cc1ccccc1 25596375 RASBIWLRHYSRHL-UHFFFAOYSA-N 399.903 4.704 0 40 GJAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1cccc2ccccc12 27525738 KKNAMCSCPGMGIQ-UHFFFAOYSA-N 391.452 4.533 0 40 GJAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCc2ccccc2C1 29504144 DVJGUPYZWVKFEA-UHFFFAOYSA-N 378.497 4.782 0 40 GJAB CCOc1c(Cl)cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1Cl 32594031 SJXYQDLJTAHJQG-MRXNPFEDSA-N 397.302 4.552 0 40 GJAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(Cc2c[nH]c3ccccc23)o1 35442769 SANAMFQPFSDVJL-QRFRQXIXSA-N 379.504 4.531 0 40 GJAB biogenic,in-vitro Cc1ccc(C)c(CSc2nnc(-c3sc4ncccc4c3N)n2C)c1 35477237 FIDGNUBMTDGWHG-UHFFFAOYSA-N 381.530 4.583 0 40 GJAB COc1ccc(-c2nc3cnccn3c2Nc2ccc(Cl)cc2)cc1OC 35622780 NBNYNTOLEGDPNR-UHFFFAOYSA-N 380.835 4.811 0 40 GJAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)C1 38833964 RMPAKOIEQZXBLS-OAHLLOKOSA-N 387.321 4.933 0 40 GJAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3ccc(OC(C)C)cc3)nc2c1 40139740 WEMLTIBEQAHAEQ-YVLHZVERSA-N 398.846 4.646 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)[nH]n2)cc1 72331559 DKAZDYWTLNOYTP-UHFFFAOYSA-N 383.879 4.839 0 40 GJAB O=C(c1ccccn1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349231 GDFWXYWAXPGNHM-KRWDZBQOSA-N 377.875 4.817 0 40 GJAB CCc1nnc(-c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cc2)o1 78947434 SUBIWXHKQLHAEU-UHFFFAOYSA-N 377.375 4.950 0 40 GJAB COc1ccc(OC)c([C@H]2CC(c3ccccc3O)=N[C@H](c3ccccc3)N2)c1 80325058 VFFVWMVIOSXMPN-QPPBQGQZSA-N 388.467 4.632 0 40 GJAB C[S@@](=O)c1ccc(NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)cc1 83990344 FYDRECHYVWPATJ-AVWNRLRGSA-N 387.810 4.662 0 40 GJAB COc1ccc(N2C(=O)/C(=C\Nc3cc(C)cc(C)c3)c3ccccc3C2=O)cc1 84083788 WYIJNDYHDMUUGT-HAHDFKILSA-N 398.462 4.952 0 40 GJAB Brc1csc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 84452236 VYNNSVDNMHKITG-KRWDZBQOSA-N 380.307 4.523 0 40 GJAB O=C(c1cccc(Br)c1)N(CCc1cccs1)Cc1ccoc1 90612367 IEVGRIBWJSHHQR-UHFFFAOYSA-N 390.302 4.989 0 40 GJAB O=C(CN1CCC(Cl)=C(Cl)C1)Nc1ccc(Cl)cc1C(F)(F)F 95466685 FIUNRHFETXEJPI-UHFFFAOYSA-N 387.616 4.692 0 40 GJAB Oc1cccnc1NC(=S)NCC1(c2cccc(Cl)c2)CCCCC1 224002518 OERJRJDSPMVAJU-UHFFFAOYSA-N 375.925 4.629 0 40 GJAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)cc1 224111831 GYOAXCDEXQFLKQ-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224614876 RDLJMTTXSBOHHP-UHFFFAOYSA-N 394.707 4.871 0 40 GJAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224661063 ORHURXJKTHYYSI-HXUWFJFHSA-N 394.559 4.686 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CC1 225009346 UKLXAHDULKAEIA-LEWJYISDSA-N 380.561 4.750 0 40 GJAB COc1ccc(CCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225315213 JWKBOFAIIRKWKW-UHFFFAOYSA-N 388.842 4.897 0 40 GJAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)CCc1ccc(Cl)cc1Cl 225379062 DXOOEYOGBAUKMM-OAHLLOKOSA-N 391.342 4.884 0 40 GJAB CC(C)n1nccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257237576 HHCRNQPTZUWRAS-GOSISDBHSA-N 398.894 4.674 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1 408622669 QKFSVWHIKXISGT-UHFFFAOYSA-N 377.440 4.814 0 40 GJAB COc1ccc(OCCCC(=O)NCCSCc2ccc(Cl)cc2)cc1 408705797 NQIXLDVYDDVQMB-UHFFFAOYSA-N 393.936 4.557 0 40 GJAB CC(C)c1nc(C2(NC(=O)N[C@@H](c3ccccc3)C(F)(F)F)CCCC2)no1 548498652 DBBJQIQXEUXWTO-AWEZNQCLSA-N 396.413 4.565 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3c(F)cccc3F)CC[C@@H]2N1c1ccc(F)cc1 1615159933 QKHMAXCKRUBZHY-KUHUBIRLSA-N 388.433 4.624 0 40 GJAB O=C(N[C@H](Nc1ccc2ccccc2c1)C(=O)c1ccccc1)c1cccs1 655668 IBMISQLAQVJSNZ-QFIPXVFZSA-N 386.476 4.952 0 40 GJAB CCOc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SCC)nc2O1 996384 GGZYWXINLMOVPE-SFHVURJKSA-N 380.473 4.552 0 40 GJAB CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccco2)cc1 1377732 VEGHIBJDHRUQOR-WOJBJXKFSA-N 383.561 4.714 0 40 GJAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(Oc3ccccc3)cc1)CC2 2339503 KEHDSFJYQHXXEV-UHFFFAOYSA-N 389.451 4.695 0 40 GJAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 3216556 GTJHJGFPIBNFJF-UHFFFAOYSA-N 381.378 4.736 0 40 GJAB Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)no1 3343200 IIEGUVOETLQCCR-UHFFFAOYSA-N 375.211 4.773 0 40 GJAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@]32C)[C@@]12CC[C@@]1(CCOC1)O2 4083768 QETHKRDIJLVIMV-CYYHDTDOSA-N 378.553 4.699 0 40 GJAB biogenic O=C(NCc1cccs1)c1cc2cc(Oc3ccc4c(c3)OCO4)ccc2[nH]1 4696028 YTPOXAWMHOVASZ-UHFFFAOYSA-N 392.436 4.680 0 40 GJAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1ccc(OC)cc1 4849382 DMNVJPBLGBJECB-UHFFFAOYSA-N 382.485 4.545 0 40 GJAB CC1(C)CC(N(Cc2cccs2)C(=O)c2c(F)cccc2F)CC(C)(C)N1 4968461 YEAHXZUSVRZOLL-UHFFFAOYSA-N 392.515 4.978 0 40 GJAB C=C=Cn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 5234773 LMRWWLQQWMPCML-AWEZNQCLSA-N 383.373 4.831 0 40 GJAB CN(C)c1ccc(C2=NO[C@H](COc3ccc(Cl)c4cccnc34)C2)cc1 5371927 FQWMIQXBICKUFU-INIZCTEOSA-N 381.863 4.526 0 40 GJAB Cc1ccccc1NC(=O)[C@@]1(c2cccs2)CC(=O)N1c1ccc(Cl)cc1 5451053 DYMNPEGTAJFVBD-NRFANRHFSA-N 396.899 4.981 0 40 GJAB Cc1sc(NC(=O)c2ccc(NC(N)=O)cc2)nc1-c1ccc(Cl)cc1 6084313 JGNKJCBOCPNTAW-UHFFFAOYSA-N 386.864 4.515 0 40 GJAB COc1cc(C)c(CSc2nnc(C3CC3)n2-c2ccccc2)cc1OC 6128798 YCKFAOMXAJGSJH-UHFFFAOYSA-N 381.501 4.763 0 40 GJAB O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1F 6354542 HSYAPSDEHBDBKA-IBGZPJMESA-N 385.341 4.641 0 40 GJAB COc1ccc(Nc2nc(CSc3nc(-c4ccccc4)n[nH]3)cs2)cc1 6559347 WHYMSOKERDEABG-UHFFFAOYSA-N 395.513 4.973 0 40 GJAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccccc1 6844743 SWLFBYJIVOVAOG-CMDGGOBGSA-N 377.234 4.525 0 40 GJAB CCOc1cccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c1O 6964904 AKEJPMWCLYMBOY-MHWRWJLKSA-N 388.876 4.644 0 40 GJAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1Cl 7002997 KFFWVFNBQFSDAC-CQSZACIVSA-N 375.875 4.909 0 40 GJAB CCOC(=O)c1sc(NC(=O)Cc2ccc(C)cc2C)nc1-c1ccccc1 7573369 RNWMREMKOXDFBC-UHFFFAOYSA-N 394.496 4.785 0 40 GJAB O=C(c1ccc2c(c1)CCCC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8137123 RPFOMITWQYAZTD-UHFFFAOYSA-N 388.433 4.547 0 40 GJAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8156082 BZAOXZDKADLPGD-ACJLOTCBSA-N 398.915 4.659 0 40 GJAB COc1ccc(C(=O)CN(C2=NCCCS2)c2cccc(C)c2C)c(F)c1 8415101 ADQTYFVMKDPNJU-UHFFFAOYSA-N 386.492 4.633 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC(c2nc3ccccc3s2)CC1 8586643 PWHPUCDIBIDUEK-SFHVURJKSA-N 398.503 4.999 0 40 GJAB Cc1[nH]c(=S)sc1CC(=O)Nc1ccc2nc(N3CCCC3)sc2c1 10579452 AFBRKYFWBGZYQJ-UHFFFAOYSA-N 390.559 4.505 0 40 GJAB CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2)n1 12221985 FVATWDKGRPKBCL-VQIMIIECSA-N 386.499 4.601 0 40 GJAB Fc1ccccc1Nc1nn(CN(Cc2ccncc2)C2CC2)c(=S)s1 12552904 NJRHFRFKQDXLNG-UHFFFAOYSA-N 387.509 4.574 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2c(F)cccc2Cl)c1 12761061 RYFOHQLSKKVIDZ-JARZOMNASA-N 389.854 4.873 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2c(F)cccc2Cl)c1 12761066 RYFOHQLSKKVIDZ-SINXNMPMSA-N 389.854 4.873 0 40 GJAB CSc1ccccc1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 12856478 KUYLMCTTZPNFPJ-UHFFFAOYSA-N 398.528 4.521 0 40 GJAB Cc1ccc(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 12871778 BKGMGORBRZFVSD-UHFFFAOYSA-N 395.506 4.766 0 40 GJAB Cc1c(C(=O)O)sc2[nH]c(=O)cc(CSC34CC5CC(CC(C5)C3)C4)c12 12983454 USIWXSAUVIZITQ-UHFFFAOYSA-N 389.542 4.798 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(C(C)=O)c3)s2)cc1OC 13683071 AKLOFRSBHDBUCN-UHFFFAOYSA-N 396.468 4.591 0 40 GJAB O=C(Cc1coc2ccc3ccccc3c12)NCc1cnn(-c2ccccc2)c1 14810126 RMUWPFMRIYUVCH-UHFFFAOYSA-N 381.435 4.631 0 40 GJAB CC1=Nc2c(c(C)nn2-c2cccc(F)c2)[C@H](c2ccc3c(c2)OCO3)S1 15084904 UVHDBALARGVLCE-IBGZPJMESA-N 381.432 4.935 0 40 GJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccccc1Br 20137828 CAJRZKWMDXHOKM-UHFFFAOYSA-N 386.245 4.762 0 40 GJAB CCOc1ccc2nc(NC(=O)c3cc(=O)c4ccc(C)c(C)c4o3)sc2c1 20867856 KQQMFVXMRFTPCN-UHFFFAOYSA-N 394.452 4.671 0 40 GJAB O=C(CCc1ccsc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 21898070 NYWCMXVLZGXLGG-UHFFFAOYSA-N 387.892 4.575 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 23053493 CVBCNMGJNMRHFV-UHFFFAOYSA-N 395.484 4.748 0 40 GJAB CCc1ccc([C@H](CNC(=O)COc2ccc(C(C)C)cc2)N2CCCC2)cc1 28292837 BVAGIJVAOYHDAN-DEOSSOPVSA-N 394.559 4.705 0 40 GJAB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1C1CCCCC1 32850746 ZZRMWQAZHUQYNU-HNNXBMFYSA-N 381.476 4.582 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(OC(C)C)cc2)cc1 36357795 GTJANMGHETVLFJ-LJQANCHMSA-N 377.444 4.792 0 40 GJAB O=C(CSc1ccccc1Cl)Nc1cc(N2CCCC2=O)ccc1Cl 40090715 MASMMVACQIGLLW-UHFFFAOYSA-N 395.311 4.851 0 40 GJAB CC(C)c1ccc(OCC(=O)NCCSCc2ccc(Cl)cc2)cc1 41303113 RFSNZTWJIFUXCK-UHFFFAOYSA-N 377.937 4.892 0 40 GJAB CC(C)c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)c(C(C)C)c1 44246996 XBIBOPKPTDSZPK-UHFFFAOYSA-N 380.536 4.678 0 40 GJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3c(F)cccc3F)cc2s1 57503646 IZJNNODDUJOSQB-UHFFFAOYSA-N 375.400 4.565 0 40 GJAB C[S@](=O)C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1 72301695 PCCVNMSMHVOKTI-LYZGTLIUSA-N 387.508 4.829 0 40 GJAB O=C(NCc1ccccc1C(F)(F)F)c1cn[nH]c1-c1cccc(Cl)c1 72328861 DEQCQEAJPGZTBB-UHFFFAOYSA-N 379.769 4.679 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 95478428 XYHKPMDZZHOZHP-XOBRGWDASA-N 390.936 4.539 0 40 GJAB COc1ccc(-c2c/c(=N/[C@H](CC(C)C)C(=O)O)c3cc(C)ccc3o2)cc1 102660076 DCMJHVDYYQLBFE-QUOHCSHWSA-N 379.456 4.817 0 40 GJAB CCCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223368103 KLKGTISWLBKAOZ-REWPJTCUSA-N 394.559 4.650 0 40 GJAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCCC2)c1 225509556 UZQHMCKFHAGDBL-UHFFFAOYSA-N 392.543 4.920 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 253473410 UUDYCCIXDXYKAZ-UHFFFAOYSA-N 381.259 4.507 0 40 GJAB O=C(NCc1ccnc(-c2cccs2)c1)c1cccc(Oc2ccccn2)c1 253473754 YCGBEWGCNWRTKW-UHFFFAOYSA-N 387.464 4.927 0 40 GJAB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)C(Cl)(Cl)Cl 408627921 OKZRUHODNUNHOM-UHFFFAOYSA-N 391.041 4.852 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccccc2)c(C)c1 408699756 ZBSHTJXBDZDGRO-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1cccnc1Nc1cc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)ccn1 585292049 JHBCMVBOYFJJBJ-VDZCTEQFSA-N 398.510 4.948 0 40 GJAB Cc1cnc(Nc2cccc(CC3CCN(C(=O)C4CCCCC4)CC3)n2)s1 2037834810 RXWSPMGBEHNYBT-UHFFFAOYSA-N 398.576 4.952 0 40 GJAB CCOc1ccc(NC(=S)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 1336878 UCVJYKBAQBMKIN-UHFFFAOYSA-N 386.492 4.516 0 40 GJAB COc1ccccc1N[C@@H](c1ccccc1)c1c(C)n(C)n(-c2ccccc2)c1=O 2285777 WCGCPXAZJAPLTN-DEOSSOPVSA-N 399.494 4.695 0 40 GJAB CC(C)OC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 2326375 BVFOALNKNIFBKI-UHFFFAOYSA-N 387.892 4.631 0 40 GJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1)N(Cc1ccco1)C3=O 2419825 XKGNMMZZSVTLQJ-OAQYLSRUSA-N 385.419 4.748 0 40 GJAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1 3403075 SNRFBSHHRCRFRH-UHFFFAOYSA-N 376.441 4.502 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H]1CCCc2ccccc21 3446895 QWPZLTSFZNCCIH-SFHVURJKSA-N 383.854 4.781 0 40 GJAB CCOc1ccccc1NC(=S)N1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 4858943 AJKQMEDCGYHCCF-INIZCTEOSA-N 394.544 4.846 0 40 GJAB Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(C)c1 4965479 DVIFYSAGTNKSOX-UHFFFAOYSA-N 385.895 4.839 0 40 GJAB COc1ccc(-c2csc(NC(=O)CSc3ccc(F)cc3)n2)cc1C 5192325 GYSLMMPNELPYLS-UHFFFAOYSA-N 388.489 4.997 0 40 GJAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2c(C)noc2C)c2ccccc2)cc1Cl 5194328 FGNMVHQMYPZHEB-IBGZPJMESA-N 398.846 4.790 0 40 GJAB COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)cc1 5574785 KIXFIHREEQQNGS-JOCHJYFZSA-N 397.430 4.547 0 40 GJAB C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1 5612155 DXTIKOVWSAQFPL-MRXNPFEDSA-N 377.415 4.528 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2N2CCCCC2)cc1 6580329 NPYVXFOCCNWMOQ-UHFFFAOYSA-N 380.488 4.677 0 40 GJAB Cc1nnc2c(Nc3ccccc3F)nc3ccc(C(=O)c4ccccc4)cc3n12 6901727 OQRXQJRGXNUCAZ-UHFFFAOYSA-N 397.413 4.700 0 40 GJAB O=C1c2ccccc2N[C@H](c2cnn(-c3ccccc3)c2)N1Cc1ccccc1 7088049 WRNKZFBEMQQIBG-QHCPKHFHSA-N 380.451 4.639 0 40 GJAB O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H]1c1nc2ccccc2s1 7217458 HFSYZLIALBRNGV-CQSZACIVSA-N 396.896 4.615 0 40 GJAB CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 7574028 QFIALRKDFWVKAT-UHFFFAOYSA-N 384.888 4.524 0 40 GJAB C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)c1c[nH]c2ccccc12 7617127 FJDLECJEZXNALI-CYBMUJFWSA-N 389.484 4.520 0 40 GJAB COc1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1OC 7998484 ZYYGWQPOXJTTSB-UHFFFAOYSA-N 398.422 4.964 0 40 GJAB COc1cc(CNC(=O)Cc2coc3c(C)c(C)ccc23)ccc1OC(F)F 8127560 JCMQYNKSMKDBTF-UHFFFAOYSA-N 389.398 4.519 0 40 GJAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1F 8308583 IHDDGKSNSBCYHX-QGZVFWFLSA-N 392.474 4.960 0 40 GJAB CCOc1ccccc1Nc1nnc(SCc2ccc(C(=O)O)cc2)s1 8721107 RIACDNWUKYBBKO-UHFFFAOYSA-N 387.486 4.671 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2cc(C)n(C3CC3)c2C)c1 8940206 USEJWMMJAXLMRD-CGIBVWHJSA-N 394.515 4.834 0 40 GJAB O=C(c1cc(Cl)c2c(c1)OCCO2)N(Cc1ccco1)Cc1cccs1 9459893 RALCWQXVQPJZPF-UHFFFAOYSA-N 389.860 4.608 0 40 GJAB COc1ccc(Cn2nccc2NC(=O)c2oc3ccc(Cl)cc3c2C)cc1 12321929 HDYNGIINZPBUQS-UHFFFAOYSA-N 395.846 4.900 0 40 GJAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(COc2ccc(F)cc2)o1 12515983 SHXZNFWFOZFXRE-UHFFFAOYSA-N 395.415 4.769 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 12596405 HZCQCEFGGZCBPK-UHFFFAOYSA-N 394.906 4.746 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1csc(-c2ccc(F)cc2)n1 12797449 QUEYTOIMOZFASF-UHFFFAOYSA-N 389.883 4.673 0 40 GJAB CN(Cc1ccccc1Cl)C[C@H](O)COc1ccc(-c2ccccc2)cc1 12941970 VVJURLLEAVDOSS-NRFANRHFSA-N 381.903 4.879 0 40 GJAB Cc1ccc(C)c(OCc2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)c1 13549655 AFKTZYKNTKSYTP-UHFFFAOYSA-N 397.544 4.889 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1 14118875 ARTMBUJVQPBYIZ-MRXNPFEDSA-N 378.472 4.622 0 40 GJAB O=c1c2sc(-c3ccccc3)cc2ncn1Cc1coc(-c2cccs2)n1 14139105 DGFCRSYEUVVFCY-UHFFFAOYSA-N 391.477 4.890 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 16837540 SIDOELUPIWAAAK-UHFFFAOYSA-N 386.451 4.541 0 40 GJAB CC[C@H](CN1CCCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1C 19654432 XLLWPQGSENBLAU-OAQYLSRUSA-N 377.536 4.540 0 40 GJAB CN1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3c(-c3ccccc3)c2C1 19889359 JPEDVMXBHCOUTL-UHFFFAOYSA-N 399.519 4.764 0 40 GJAB O=C(NCCc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 20451928 JVZNEKKFKWGZTP-UHFFFAOYSA-N 377.509 4.830 0 40 GJAB Cc1cn2c(=O)cc(COc3ccc(C(C)(C)c4ccccc4)cc3)nc2s1 21368842 NKKQMVDAILQHTD-UHFFFAOYSA-N 390.508 4.969 0 40 GJAB Cc1ccc(-n2cnnc2SCC(=O)c2ccc3c(c2)CCC3)cc1Cl 21468117 CXYWKGUJPKDDCD-UHFFFAOYSA-N 383.904 4.693 0 40 GJAB O=C(C[C@H](C(=O)O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 24992631 ZKBRXMNAIMJYPR-LBPRGKRZSA-N 389.732 4.695 0 40 GJAB CCOc1ccc(CCNC(=O)c2cc3cc(C)ccc3nc2C)cc1OCC 26798428 MNXNEUNKLQSRIB-UHFFFAOYSA-N 392.499 4.622 0 40 GJAB Cc1cccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)n1 28195067 WVAWXSIHAZOXGG-UHFFFAOYSA-N 382.261 4.775 0 40 GJAB CN(Cc1ccc2c(c1)OCO2)C(=O)/C(=C/c1ccc(F)cc1)c1cccs1 29691500 CMXNWHFZJNIQCN-WOJGMQOQSA-N 395.455 4.815 0 40 GJAB Cc1ccc(CCCNC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c1 32755305 ASOBYFDDGOHTBB-UHFFFAOYSA-N 396.531 4.942 0 40 GJAB Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)cc1F 33291869 AUOZISDUYQKOMR-UHFFFAOYSA-N 392.459 4.803 0 40 GJAB COCCn1c(C)cc(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C 37868441 IBKRBUCQVIJLPL-UHFFFAOYSA-N 398.528 4.592 0 40 GJAB Cc1ccccc1NC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 38926613 HLBFGPRLPMDVFG-UHFFFAOYSA-N 386.908 4.612 0 40 GJAB CCN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1C2CC3CC(C2)CC1C3 40090295 MFCUYWNUKYLHBU-PQDNMRQUSA-N 383.532 4.531 0 40 GJAB O=C(Nc1ccc(N2CCCC2=O)cc1)[C@H](Oc1ccccc1)c1ccccc1 40130592 PSVOSFQVTLAUQF-HSZRJFAPSA-N 386.451 4.572 0 40 GJAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 44857202 RIGIYPSKCMUBGV-NTCAYCPXSA-N 376.544 4.910 0 40 GJAB COc1cccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc23)c1 48986013 PNEJGUBMIMCORZ-UHFFFAOYSA-N 375.472 4.859 0 40 GJAB Cc1cc(Br)c(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C 54363213 XLDILNSMJRGMDQ-UHFFFAOYSA-N 376.360 4.559 0 40 GJAB C[C@H](c1ccc(F)cc1)N(C)Cc1nc(-c2cc(Br)cs2)no1 59831899 ZBLCGWCQABYAEN-SNVBAGLBSA-N 396.285 4.893 0 40 GJAB CNc1ncccc1CN1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72350265 NFRYRFOHNXYCJB-IBGZPJMESA-N 390.506 4.628 0 40 GJAB C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 95423950 RDVNNIJXAPFBKT-UUOWRZLLSA-N 391.486 4.976 0 40 GJAB CC(C)c1sc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc1-c1ccccc1 95947216 LETLZMDBXYUGNL-UHFFFAOYSA-N 393.512 4.888 0 40 GJAB CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)c([C@H](O)c2ccccc2)c1Cl 96171640 CLFAWDNCFYVSSA-CQSZACIVSA-N 386.801 4.820 0 40 GJAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCCc5cccs5)(C4)C2)C3)cc1 100789742 JHZBUTNMXCOMCJ-RDNZODCXSA-N 395.568 4.954 0 40 GJAB CCOc1ccc(CCC(=O)N(C)Cc2ccc(Cl)cc2)cc1OCC 216254628 XNIRBJJLEFHOFO-UHFFFAOYSA-N 375.896 4.729 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219326673 CEZXEPPEEVIWTB-NRFANRHFSA-N 377.415 4.853 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 219605686 IESBHMOZTMCMQT-LJQANCHMSA-N 375.896 4.645 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219616268 MFTJKURHCKAGJN-SFHVURJKSA-N 399.878 4.514 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1 223030310 YVPWINMUFIILKE-OAQYLSRUSA-N 389.923 4.954 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)COc1ccccc1C 223030848 UAZVXFFGCZZRHQ-VQIMIIECSA-N 375.896 4.698 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C(C)C 223341484 PJYXOGHPSABBKS-SFTDATJTSA-N 394.544 4.847 0 40 GJAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)s1 223674293 IUDAKXFFVWIILJ-CQSZACIVSA-N 379.551 4.744 0 40 GJAB Fc1ccc(C2(CNC(=S)Nc3ccc(N4CCCC4)nc3)CCCC2)cc1 223983123 LWICCZNMUARKQL-UHFFFAOYSA-N 398.551 4.619 0 40 GJAB O=C(CCc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCCC2)c1 224640702 VYQGMNCRNHFCTQ-UHFFFAOYSA-N 391.342 4.838 0 40 GJAB Cc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)c1 224814647 YVHADWKLTYQDFJ-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(C)c3C)o2)c(OC)c1 224866355 HDQFYXKVPGWLQC-UHFFFAOYSA-N 380.444 4.547 0 40 GJAB COc1ccc(SCCCNC(=S)Nc2ccc(OC(C)C)cc2)cc1 225803669 SHBNWSRHZLHCKQ-UHFFFAOYSA-N 390.574 4.951 0 40 GJAB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 226764882 OUVJBAVBKFWXRG-UHFFFAOYSA-N 396.805 4.790 0 40 GJAB O=C(c1ccccc1C(F)(F)F)N1CC[C@@H](Oc2cccc3cccnc23)C1 238873309 NKVRBSHLFRYQPW-OAHLLOKOSA-N 386.373 4.547 0 40 GJAB Cc1ccc(OC[C@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)CC2)c(C)c1 257243079 IFJWHIVWLJRCBX-DEOSSOPVSA-N 378.516 4.581 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 408657738 IZXACTIRPKIFEM-IEBWSBKVSA-N 379.500 4.889 0 40 GJAB CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)C1=O 409066662 LYTHUQICXIHJMO-XDHOZWIPSA-N 383.469 4.639 0 40 GJAB CC(C)Sc1ccc(CC(=O)N2CC[C@@H](n3cnc4ccccc43)C2)cc1 575617687 QJQQZJOFTVTEKJ-GOSISDBHSA-N 379.529 4.553 0 40 GJAB Cc1nc(-c2ccccc2NC(=O)Nc2cnn(C3CCOCC3)c2C)cs1 575996688 MTZXEKWJTCYXNM-UHFFFAOYSA-N 397.504 4.619 0 40 GJAB Cn1cc(NC(=O)N[C@H](Cc2ccccc2)c2ncco2)c(C2CCCCC2)n1 654104870 LYICYVAUOSEPDC-GOSISDBHSA-N 393.491 4.561 0 40 GJAB Cc1c(NC(=O)N2CCc3cc(F)c(F)cc3C2)noc1-c1ccccc1F 1669413094 GTTFCLDCFHSMQW-UHFFFAOYSA-N 387.361 4.658 0 40 GJAB COC(=O)c1c(Nc2ccccc2)sc(C(=O)c2ccc(OC)cc2)c1C 628445 MVBWFHJPUKEDCR-UHFFFAOYSA-N 381.453 4.826 0 40 GJAB COc1ccc(C(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1 658852 JVHWJZBFYCIMAN-UHFFFAOYSA-N 378.428 4.924 0 40 GJAB Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)N3CCC[C@H](C)C3)c2c1 906286 HGESJWHBVSNVBQ-KRWDZBQOSA-N 391.540 4.956 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 969444 LHWWBTGRQYBZDS-LLVKDONJSA-N 397.689 4.947 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2ccc(C)cc2C)cs1 2203260 ZDZUIENABYZUAG-IBGZPJMESA-N 396.468 4.725 0 40 GJAB CCCCSc1nnc(CSc2ncccn2)n1-c1ccc(Cl)cc1 2706185 YZQYPOOASFLYES-UHFFFAOYSA-N 391.953 4.895 0 40 GJAB COC(=O)c1cc(CSc2nnc(Nc3ccccc3C)s2)oc1C 3365207 FEZFSVDKIIGBFV-UHFFFAOYSA-N 375.475 4.570 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)cc1 4492336 MTKRLKZNYNKCSZ-INIZCTEOSA-N 393.512 4.631 0 40 GJAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccc(F)c(F)c1 5077303 HKAQFBFDWZEWCF-UHFFFAOYSA-N 391.830 4.803 0 40 GJAB CCCCCCn1c(O)c(C(=O)Nc2cccc(F)c2)c(=O)c2ccccc21 5735009 KNZJPXKXBFNWIR-UHFFFAOYSA-N 382.435 4.679 0 40 GJAB COc1cc2ccccc2cc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 6049093 UYDANZSWQBHKHK-UHFFFAOYSA-N 378.468 4.791 0 40 GJAB COc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)c1 6248642 NPOARAITXRJURG-UHFFFAOYSA-N 398.418 4.891 0 40 GJAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1-c1ccccc1 6422616 HWPYDADVRCVONL-UHFFFAOYSA-N 393.299 4.613 0 40 GJAB CCC(=O)NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 6569684 LOWTXEJXVFIIJE-UHFFFAOYSA-N 375.453 4.871 0 40 GJAB O=S(=O)(Nc1nc2c(F)cc(F)cc2s1)c1cccc(Cl)c1Cl 6623200 QBXJIWBOOBZYSB-UHFFFAOYSA-N 395.239 4.682 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1nccnc1-c1nc2ccccc2s1 6663481 QBEAMIFZKSONGG-UHFFFAOYSA-N 396.859 4.668 0 40 GJAB CCOc1ccc(N(CC(=O)c2ccc(OC)cc2)C2=NCCCCC2)cc1 6870366 CMQSTOFQACTJOO-UHFFFAOYSA-N 380.488 4.756 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCCc3cccs3)c2n1 7370867 VATPSKPWWRUHBJ-UHFFFAOYSA-N 395.311 4.649 0 40 GJAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1-c1ccccc1 7735799 CAJZXGCOYWQEGJ-UHFFFAOYSA-N 397.478 4.641 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 7814890 WMKINUPTVWRFBC-UHFFFAOYSA-N 396.878 4.586 0 40 GJAB CC(=O)Nc1ccc(C2=NN=C(Nc3cccc(C(F)(F)F)c3)SC2)cc1 7849171 UGQCPKXIUXDKKE-UHFFFAOYSA-N 392.406 4.583 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nccn2-c2ccc(C)cc2C)c1 8424660 FTFWFGQSUJWDTP-QGZVFWFLSA-N 393.512 4.811 0 40 GJAB COc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1ccc(C)cc1 8550149 OWTHONMPABYOMS-UHFFFAOYSA-N 391.467 4.571 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(CC(C)C)C(=O)c3cccc(Cl)c3)cc2c1 9237740 LUUUKELVIHLBBI-UHFFFAOYSA-N 382.891 4.788 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-c2ccccc2Cl)o1 9478721 RVLKTRRCCMADBU-KRWDZBQOSA-N 384.863 4.760 0 40 GJAB COc1cccc(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)c1 10253851 SDFFFCRQFPNSDI-UHFFFAOYSA-N 386.242 4.875 0 40 GJAB O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2ccc(Cl)cc2)CC1 10382226 BBUWDIHOCXGOIM-UHFFFAOYSA-N 378.303 4.733 0 40 GJAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(F)cc2F)cs1 11373116 MOVSQRPWAYBKGY-RMKNXTFCSA-N 386.423 4.961 0 40 GJAB CCc1cc2c(CNc3ccc(OCC(F)(F)F)cc3)cc(=O)oc2cc1O 11713174 PMNHWCCPXKTASO-UHFFFAOYSA-N 393.361 4.614 0 40 GJAB COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cnn(-c3ccccc3)c2)c1 12549190 ZAMXXLPIMZBKST-QHCPKHFHSA-N 396.450 4.652 0 40 GJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cnccn1 12806999 SKIQDXSNGQTTID-UHFFFAOYSA-N 375.863 4.619 0 40 GJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2ncsc2c1 12885732 FKUWVQYXMXBERV-UHFFFAOYSA-N 396.390 4.593 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 13994706 FERFFKYVMFHSSI-HNNXBMFYSA-N 387.501 4.518 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccc(Br)s2)c1 15109132 JKJXCZCMCPTYLA-CYBMUJFWSA-N 381.339 4.586 0 40 GJAB CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)cc2)[C@H]1c1ccccc1OC 22699406 IBWSDDWGQQJSTO-DENIHFKCSA-N 398.478 4.553 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 23698199 AJLPLLMNHCJAFJ-UHFFFAOYSA-N 394.784 4.809 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)N1CCN(Cc2cccc3ccccc23)CC1 23882993 TYCLOFCJIQIXFD-UHFFFAOYSA-N 397.522 4.598 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCOc1ccccc1 25777176 UMZVWWWUEMGIGV-UHFFFAOYSA-N 388.826 4.641 0 40 GJAB NC(=O)c1ccc(-c2nnc(Oc3ccc(Cl)cc3)c3ccccc23)cc1 27752622 QHSRCFIASGIHBG-UHFFFAOYSA-N 375.815 4.841 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 28220330 SLDCYUMXUKHSHL-UHFFFAOYSA-N 391.258 4.891 0 40 GJAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)NC1CCCCCC1 29915224 PEYSYWPIWZZJAO-UHFFFAOYSA-N 383.439 4.580 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1OCC 30753681 LCMDTARQXLIYJE-SFHVURJKSA-N 391.895 4.611 0 40 GJAB O=C(CSCc1cccs1)Nc1ccc(-n2cccn2)cc1C(F)(F)F 32817206 XUCUNRMLZIONTJ-UHFFFAOYSA-N 397.447 4.825 0 40 GJAB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C/c1ccc([N+](=O)[O-])cc1 35647790 LBICWCJSTPNINE-VGOFMYFVSA-N 394.239 4.793 0 40 GJAB Cc1ccc(NC(=O)CSc2ccc(N3CCCCCC3)nn2)cc1Cl 49001661 NZYDXPGRVIJZSO-UHFFFAOYSA-N 390.940 4.550 0 40 GJAB Cc1nc(C)c([C@@H](C)NC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)s1 56603171 CQNAWVPNKMIHBU-SNVBAGLBSA-N 386.443 4.727 0 40 GJAB O=S(=O)(c1ccc(N2CCC(c3cc4ccccc4[nH]3)CC2)cc1)C(F)F 65946574 IBGPRGIXGRLFAX-UHFFFAOYSA-N 390.455 4.548 0 40 GJAB CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)NCc1ccco1 67295388 ZICAMMXHEIYJGG-BZZOAKBMSA-N 388.423 4.587 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 80329303 OVBDHPPRUUYMEV-FOIQADDNSA-N 390.936 4.539 0 40 GJAB COc1cccc(NC(=O)c2ccc3c(c2)C2(CCCCC2)CN3C(C)=O)c1 96268165 RRNUSBARZFCMHS-UHFFFAOYSA-N 378.472 4.516 0 40 GJAB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 105338759 FRJKPPCPXSHEII-ZIAGYGMSSA-N 376.294 4.656 0 40 GJAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1[C@H](C)CCC[C@@H]1c1ccccc1 107075818 KDIWGMNOUXGBKU-QFWMQHCXSA-N 390.527 4.665 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 222899129 CRGHVLFUMCLEFV-RTWAWAEBSA-N 397.515 4.834 0 40 GJAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1ccc(C(C)(C)C)cc1 224527773 SGAXSFDWAVJREJ-KRWDZBQOSA-N 399.531 4.727 0 40 GJAB Cc1cccc(N2CCN(C(=O)CCc3c(Cl)cccc3Cl)CC2)c1C 225357981 UTXNBCUXHQOPKY-UHFFFAOYSA-N 391.342 4.892 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 225555994 ODZFUNCESJFMKN-NZQKXSOJSA-N 394.559 4.568 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225802309 AGJKJKMCQREIDP-JOCHJYFZSA-N 393.524 4.822 0 40 GJAB COc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 226365412 KYBVKQBLKYGRGK-UHFFFAOYSA-N 387.233 4.552 0 40 GJAB CCCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C(C)C 256055789 UANZTSBUPUARFE-UHFFFAOYSA-N 382.913 4.838 0 40 GJAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(Cl)c(Cl)c3)o2)cc1 408714196 KYYPVOOCADUXFM-UHFFFAOYSA-N 376.243 4.624 0 40 GJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1cccc(Cl)c1 408714343 OUMOKSDDTPWERO-UHFFFAOYSA-N 383.879 4.960 0 40 GJAB O=C(CNC(=O)c1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409003961 WATWBCXJVCSQTG-UHFFFAOYSA-N 388.511 4.523 0 40 GJAB COc1cccc2cc(C(=O)NC[C@@H](O)c3ccc(-c4ccsc4)cc3)oc12 575610938 RHNSFNCDAGSEOG-GOSISDBHSA-N 393.464 4.633 0 40 GJAB COC[C@H]1CCN(C(=O)[C@@H]2[C@@H](/C=C(\Cl)c3ccc(Cl)cc3)C2(C)C)C1 585138643 WLTQEJVLIIBEIM-SUOQRYFTSA-N 382.331 4.687 0 40 GJAB CN(C)[C@@H](Cc1ccccc1)C(=O)N1CC=C(c2cccc3ccccc23)CC1 592861893 HKYHNNOFBVYWQA-VWLOTQADSA-N 384.523 4.628 0 40 GJAB Cc1nc(-c2ccccc2NC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)cs1 654058594 BULDKTFGRYHYRH-MLGOLLRUSA-N 399.438 4.740 0 40 GJAB O=C(NC1CCC2(CCC(=O)N2Cc2ccccc2)CC1)c1cccc(Cl)c1 2055816074 RSUWSMZFGUYCSN-UHFFFAOYSA-N 396.918 4.574 0 40 GJAB Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@]2(C)C1=O 828225 UMTHBAXVVOYZLI-SHZLTDHESA-N 379.459 4.782 0 40 GJAB CCOc1ccc2cc3c(N)c(C(=O)N[C@@H]4CCCC[C@@H]4C)sc3nc2c1 891634 XBLYZWYPPKOVHT-BLLLJJGKSA-N 383.517 4.739 0 40 GJAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1nccs1 1057692 RKZMGHXRUOHUIG-UHFFFAOYSA-N 392.509 4.931 0 40 GJAB Cc1cccc(Oc2coc3cc(OCC(=O)OCCC(C)C)ccc3c2=O)c1 1769987 QNXBBMVRWXRBFG-UHFFFAOYSA-N 396.439 4.862 0 40 GJAB biogenic COc1ccc(CN(CC[C@@H](C(C)C)[C@H]2CCOC(C)(C)C2)C(C)=O)cc1 2100271 SIEFQYYABPFRTB-UNMCSNQZSA-N 375.553 4.911 0 40 GJAB biogenic CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)Nc3cc(Cl)cc(Cl)c32)cc1 2403689 RCBSLGYKWUKEOK-LJQANCHMSA-N 378.255 4.530 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)CCC2 2618532 XRVHJGPKFJXREA-OAHLLOKOSA-N 398.462 4.941 0 40 GJAB Cc1cc(C(F)(F)Cl)n(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)n1 2803273 PHTDQGDHGBNMPW-UHFFFAOYSA-N 378.688 4.538 0 40 GJAB Cc1cc(C(=O)CSc2nc3ccccc3s2)c(C)n1C[C@H]1CCCO1 3328515 GWNMLQNVUXRKJC-OAHLLOKOSA-N 386.542 4.869 0 40 GJAB COc1cccc(CN(C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)c1OC 3571653 SNWXWDYKJIUQEZ-UHFFFAOYSA-N 395.499 4.874 0 40 GJAB CCOc1ccccc1C(=O)Nc1nnc(SCc2cccc(F)c2)s1 4087833 VPLPPFFOVYOHEP-UHFFFAOYSA-N 389.477 4.621 0 40 GJAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)ns1 4167353 ZWGXYVDTIAGIQL-UHFFFAOYSA-N 385.514 4.643 0 40 GJAB COc1ccc(Nc2c(-c3ccc(SC)cc3)nc3ncccn23)cc1OC 4734019 UVBRRAZJPOETFT-UHFFFAOYSA-N 392.484 4.879 0 40 GJAB CCOc1ccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)cc1 5046919 HPJJWKDYZNBOIN-UHFFFAOYSA-N 386.480 4.855 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)NC2=S)cc1 5091280 CUUUTHPBULHPGI-YBEGLDIGSA-N 393.295 4.654 0 40 GJAB CCOc1cc(C(=O)Nc2cccc(Br)c2)cc(Cl)c1OC 6155370 YNXAESOQPJSLOC-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 6440759 LEGNSJIDAPOLIC-ZFWWWQNUSA-N 377.510 4.974 0 40 GJAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(Cl)c2ccccc12 7132656 MPCPSTGJEBLISW-AWEZNQCLSA-N 394.858 4.636 0 40 GJAB CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 7191910 GXCFQNMRDYVEBV-UHFFFAOYSA-N 384.530 4.635 0 40 GJAB c1ccc(Cn2c(SCc3cc(-c4ccco4)on3)nnc2C2CC2)cc1 7328975 RXBIWWJCFVUAIT-UHFFFAOYSA-N 378.457 4.744 0 40 GJAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cc1cccc2ccccc12 7671824 CPYFTQPLMMRCCI-UHFFFAOYSA-N 391.496 4.933 0 40 GJAB O=S(=O)(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccs1 7987371 HGLGAKMWCUEXLJ-UHFFFAOYSA-N 391.326 4.979 0 40 GJAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(F)cc1Cl 10511063 GDOBSLOEMLYZBA-UHFFFAOYSA-N 396.853 4.863 0 40 GJAB O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1cc(Cl)ccc1F 11620917 MYAURTWKBMPCMO-UHFFFAOYSA-N 382.266 4.783 0 40 GJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12577157 GPZHXTKRRXYQAZ-DOJUMQAQSA-N 385.389 4.959 0 40 GJAB CN(C(=O)COc1ccc(F)cc1)[C@@H](c1ccccc1)c1c[nH]c2ccccc12 15670857 SBVIQLKIJUMPBB-DEOSSOPVSA-N 388.442 4.934 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)/C=C/c1ccccc1)CC2 16002247 WEQPYXKVKPOCDO-JBXKERDYSA-N 399.490 4.891 0 40 GJAB CCOc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 19842307 KXBDLQBPAJIYRQ-UHFFFAOYSA-N 378.560 4.929 0 40 GJAB CCn1cc(C(=O)Nc2cc(C)cc(C)c2)c(=O)c2cc(C(F)(F)F)ccc21 22236734 CORQGMNZLNHFNK-UHFFFAOYSA-N 388.389 4.909 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)OCc3cn4cc(Cl)ccc4n3)o2)cc1 22284389 APENSXCWAMPGPG-UHFFFAOYSA-N 395.846 4.627 0 40 GJAB CCc1ccc(-n2c(SCc3cc(C)no3)nc3ccccc3c2=O)cc1 25401161 JFHCKOLOKRFYSS-UHFFFAOYSA-N 377.469 4.537 0 40 GJAB CCOc1ccc(-c2nc(CN(C)Cc3ccc4c(c3)OCO4)cs2)cc1 26301200 TWRGXAXCWOFAHZ-UHFFFAOYSA-N 382.485 4.570 0 40 GJAB CCCN(CC(=O)Nc1ccccc1C)C(=O)CCCc1c[nH]c2ccccc12 31467055 PNNCJXWSDKWRKQ-UHFFFAOYSA-N 391.515 4.676 0 40 GJAB Cc1ccc(C[C@@H](C)CC(=O)Nc2ccccc2I)cc1 33663932 LXJIZJDQOMEKOW-CQSZACIVSA-N 393.268 4.807 0 40 GJAB O=C(Nc1ccccc1)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 35290209 INKUEVLNJYJYOF-UHFFFAOYSA-N 388.446 4.979 0 40 GJAB C[C@H](OC(=O)COc1ccccc1Cl)c1nc2ccccc2n1C(F)F 40033533 NYWQHWVZCVXCGL-NSHDSACASA-N 380.778 4.768 0 40 GJAB Cc1cc2nn(CN(Cc3cccnc3)C(C)C)c(=S)n2c2ccccc12 40151377 DLFKAUBVHKAQPY-UHFFFAOYSA-N 377.517 4.590 0 40 GJAB CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(OC)c(OC)c1 44856864 LTRAFLQKUNMKHI-OAQYLSRUSA-N 396.531 4.571 0 40 GJAB CCn1c(Sc2ncnc3sc(C)c(C)c23)nnc1-c1cccc(OC)c1 48253709 NIRUDRSQEPHVST-UHFFFAOYSA-N 397.529 4.746 0 40 GJAB CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccccc1 49030290 ABVZGMOLMDJQEB-VQTJNVASSA-N 392.499 4.596 0 40 GJAB Cc1nc(CNC(=O)c2ccc(-c3ccccc3F)s2)nc2ccccc12 58323865 SHXOQAZCBMYWDB-UHFFFAOYSA-N 377.444 4.736 0 40 GJAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72214806 CZPDRPCGKBYPLQ-LJQANCHMSA-N 395.503 4.820 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(Cl)c2)cc1Cl 72329327 AWKGVHUGNRWHFJ-UHFFFAOYSA-N 390.270 4.712 0 40 GJAB O=C(c1ccncc1)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72357824 VCMLPLHZSGVPOM-NRFANRHFSA-N 377.875 4.698 0 40 GJAB O=C(c1ccccn1)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396368 SVWRQSVUWDDNTE-GOSISDBHSA-N 382.467 4.645 0 40 GJAB COc1ccc2cc([C@H]3CC(c4cccc(F)c4)=NN3C(C)=O)c(Cl)nc2c1 95115945 NWSLPCQNVXGYGU-HXUWFJFHSA-N 397.837 4.734 0 40 GJAB Cc1nc(C(C)C)c(-c2nn3c(Cc4cc(F)cc(F)c4)nnc3s2)s1 95479303 OAYULQZARIYYNZ-UHFFFAOYSA-N 391.472 4.610 0 40 GJAB Cc1ccccc1-c1csc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)n1 95955974 LKZXGAYVPZBZOB-UHFFFAOYSA-N 391.496 4.744 0 40 GJAB COCc1nc(NC[C@@H](O)c2cccs2)c2c(-c3ccccc3)csc2n1 95960600 VONAPHSCVMUKJL-OAHLLOKOSA-N 397.525 4.712 0 40 GJAB Cc1ccc(-c2ocnc2C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)cc1 95961469 RSUBJQXYUQMWCH-UHFFFAOYSA-N 398.422 4.550 0 40 GJAB CN(C)Cc1nc(Oc2cccnc2F)c2c(-c3ccccc3)csc2n1 95964598 BRYKCFIQWQLNAR-UHFFFAOYSA-N 380.448 4.746 0 40 GJAB Cc1ccccc1NC(=O)[C@H]1c2c(ncn2C(C)C)CCN1Cc1ccccc1 96037495 PKCGJLBYWLIODQ-HSZRJFAPSA-N 388.515 4.511 0 40 GJAB CCOc1ccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1 96194204 AUAZTZHIEBMKFN-UHFFFAOYSA-N 376.441 4.973 0 40 GJAB CNC[C@H]1CC[C@H](c2cc(CN(C)Cc3oc4ccccc4c3C)n(C)n2)CC1 100687690 SLOBJSCCJCYGIH-KDURUIRLSA-N 394.563 4.600 0 40 GJAB O=C(OCc1ccc(Cl)nc1)C1C[C@H]2CCC[C@H](C1)C21SCCS1 102820416 ZMJXNKIWJZNQGX-HUUCEWRRSA-N 383.966 4.781 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccccc2C)cc1 216495971 BQOPYBRSDPHORR-INIZCTEOSA-N 375.559 4.534 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3Br)N21 222643696 NSAOKROHPKZKOQ-OAUYIBNBSA-N 388.334 4.824 0 40 GJAB C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 222954969 YECWVHSRMGSFIQ-AWEZNQCLSA-N 388.305 4.584 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 222971289 RBVCJJPIGGUCNE-UXHICEINSA-N 397.515 4.888 0 40 GJAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 223629949 IGJJSEGVXDAVFU-HXUWFJFHSA-N 394.559 4.604 0 40 GJAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 223630009 IGJJSEGVXDAVFU-FQEVSTJZSA-N 394.559 4.604 0 40 GJAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1 223784361 OZHINMHXDGFRPT-RTBURBONSA-N 381.526 4.719 0 40 GJAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc(Cl)cc1Cl 224643017 FDRYVCDIZPIXLW-UHFFFAOYSA-N 377.315 4.909 0 40 GJAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 224648077 JSDZQHKVUVKIOA-KRWDZBQOSA-N 379.909 4.701 0 40 GJAB CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224722729 XKAQDSVSSZFSBL-UHFFFAOYSA-N 379.909 4.877 0 40 GJAB CCOc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1OCC 225059428 YYECEJSIHUMYGF-UHFFFAOYSA-N 393.936 4.801 0 40 GJAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C 225486125 OPWFUKBRNSRVPV-UHFFFAOYSA-N 394.515 4.591 0 40 GJAB COc1ccc2cc(C(=O)NCC3(c4ccc([C@H](C)O)s4)CCCC3)[nH]c2c1 225682631 BCSSWWLVNSNVDB-AWEZNQCLSA-N 398.528 4.533 0 40 GJAB CC(C)Oc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)c2ccccc12 225916345 NNBNYYFQGDPUTD-UHFFFAOYSA-N 383.488 4.889 0 40 GJAB CC(C)Oc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c2ccccc12 225927763 QEWFYOVMZBIOKG-UHFFFAOYSA-N 384.476 4.623 0 40 GJAB O=C(CCn1ccc2c(Cl)cccc21)N1CCC[C@@H]1c1nc2ccccc2[nH]1 247760735 HEFQERFZEROYCF-HXUWFJFHSA-N 392.890 4.925 0 40 GJAB CC(C)(C1CCC(O)CC1)C1CCC(OC(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1 255187644 FVGCHUVBRJOKEW-MHUBRMLGSA-N 394.552 4.557 0 40 GJAB COc1ccccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257280036 OJEMHTOXSKGUAQ-LJQANCHMSA-N 396.874 4.905 0 40 GJAB COC(=O)c1ccc2c(c1)[C@H]1O[C@H]3CCc4ccccc4[C@H]3C[C@@H]1C(C)(C)O2 257317823 VLICPEWGABRVQW-IWLVTHKOSA-N 378.468 4.820 0 40 GJAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1F 408624881 DCKIIZNAPCDGEO-UHFFFAOYSA-N 376.762 4.625 0 40 GJAB O=C1N/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1ccccc1 409020624 RECMQMXNEWUOGJ-KGENOOAVSA-N 388.398 4.502 0 40 GJAB O=C(O)c1ccc(CN2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)cc1 585183361 KQRBQKCBUUBLAP-HXUWFJFHSA-N 396.874 4.954 0 40 GJAB Cn1c(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)nc2ccccc21 1615126683 MJMJCSIIOIOBAS-UTKZUKDTSA-N 392.522 4.592 0 40 GJAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 687071 BQGXKFCXRUCRTO-QMMMGPOBSA-N 383.300 4.531 0 40 GJAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Br)o1 1003635 VVNLVGMBCVWPRO-UHFFFAOYSA-N 379.435 4.710 0 40 GJAB CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1 1346924 RLOXLVIQRXLCBT-LJQANCHMSA-N 383.467 4.758 0 40 GJAB CCCCc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1 2184757 JPWASJCSEDYSDE-UHFFFAOYSA-N 380.469 4.549 0 40 GJAB CCCCCn1c(N)c(C(=O)Nc2cccc(C)c2)c2nc3ccccc3nc21 2247277 YDSPFZNGQCDBBX-UHFFFAOYSA-N 387.487 4.918 0 40 GJAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)ccc1O 2271252 VLMLGOLJFYAYBH-JOCHJYFZSA-N 390.439 4.571 0 40 GJAB COc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2ccccc2)cc1 2453373 PUCKZCIZBQGNGC-LJQANCHMSA-N 381.501 4.604 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)C1 2562621 BQIBBYLXJDSLIR-FTQGCKHGSA-N 376.537 4.893 0 40 GJAB biogenic,in-vitro Cc1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)n1Cc1ccco1 2618967 DBBUZFWFIUKKNE-UHFFFAOYSA-N 393.468 4.771 0 40 GJAB O=C(Nc1cccc(Cl)c1Cl)c1ccn(COc2ccccc2F)n1 2786659 WSLXBDRRRINDHH-UHFFFAOYSA-N 380.206 4.618 0 40 GJAB COc1ccc(C)c2sc(NC(=O)c3ccc(Br)cc3)nc12 4330868 CKOFKLFSGIPQRT-UHFFFAOYSA-N 377.263 4.628 0 40 GJAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1 4554759 ARVQQHMEOYAFGA-UHFFFAOYSA-N 382.504 4.722 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cccnc2)n2c(nc3ccccc32)N1 4734793 HAEQZYXLQSHTTG-JOCHJYFZSA-N 395.466 4.667 0 40 GJAB CCCCc1nc2cc(NC(=O)NCC)c(C)nc2n1Cc1cccc(Cl)c1 4848511 SYTIMWXDVIQTJD-UHFFFAOYSA-N 399.926 4.925 0 40 GJAB Brc1cccc(CSc2nc3cc(Br)cnc3[nH]2)c1 5453283 VHPHRPDHQLCRIO-UHFFFAOYSA-N 399.111 4.775 0 40 GJAB COc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)cc1OC 5703373 BBYWSDMGXYEVGR-UHFFFAOYSA-N 376.456 4.545 0 40 GJAB CSc1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2C(C)=O)c1 6905787 RIXUKNWHBHSXTF-UHFFFAOYSA-N 384.284 4.935 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1OCC 6964157 PLMBPGLWBPNGEA-CPNJWEJPSA-N 383.469 4.721 0 40 GJAB Cc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc(F)cc3)sc2c1 7424662 ONKFISLOYGPFEC-UHFFFAOYSA-N 394.475 4.677 0 40 GJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1Cl 7725977 ODZBKPAETZEYKQ-UHFFFAOYSA-N 379.243 4.820 0 40 GJAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)o1 8130154 JLOPEUNNFZVVTG-CYBMUJFWSA-N 380.469 4.597 0 40 GJAB COc1ccc(Br)cc1/C=C/c1nc2cc(Cl)ccc2c(=O)o1 8209074 CYVJYXKHHOXNLX-FARCUNLSSA-N 392.636 4.783 0 40 GJAB C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1cc(Cl)ccc1Cl 8310564 SLFBZTITJVLLGY-JTQLQIEISA-N 380.300 4.999 0 40 GJAB COc1ccc(/C=C/c2nn3c(CSc4ccccc4)nnc3s2)cc1 8393269 LJLHTYBOOVKXNG-FMIVXFBMSA-N 380.498 4.657 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)c(C)c1 8498762 SACYAFQWXZHKTO-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 9107120 FEBBRYMRNZFRSZ-UHFFFAOYSA-N 376.378 4.647 0 40 GJAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(-c2nc3ccccc3s2)o1 9459907 GZIVKMNAAKXLIW-UHFFFAOYSA-N 392.436 4.970 0 40 GJAB Cc1cc(C(=O)Nc2c(C)cccc2C)ccc1NS(=O)(=O)c1ccccc1 10371393 AJHIAFKCHZBJIA-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)s1 10818205 UOWGUUIDFINBND-UHFFFAOYSA-N 396.497 4.872 0 40 GJAB Cc1nc(-c2ccccc2)c(CC(=O)N2CCCC[C@H]2CN2CCCCC2)s1 12238197 FOSKAZREFDFIQF-FQEVSTJZSA-N 397.588 4.528 0 40 GJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(F)cc1Cl)O[C@@H](C)C2 12562185 XVRIWGPARVOJGW-RYUDHWBXSA-N 392.858 4.640 0 40 GJAB Cc1c(C)c(C)c(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)c(C)c1C 12635195 JNXGZHVYOGREMW-UHFFFAOYSA-N 398.528 4.608 0 40 GJAB CCCCc1ccc(-n2c([C@@H]3C[C@H]3C)nc3cc(OC)c(OC)cc3c2=O)cc1 12950259 XNAKTJWPYDUPDP-CRAIPNDOSA-N 392.499 4.869 0 40 GJAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc21 13695273 NYULRWGBCJXXHJ-UHFFFAOYSA-N 390.405 4.893 0 40 GJAB COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc12 14009835 SBCDOQSSHIHMNW-WOJGMQOQSA-N 378.815 4.599 0 40 GJAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)N1CCCCC1 16014417 NRPRCQCCELSYTN-UHFFFAOYSA-N 391.298 4.801 0 40 GJAB Cc1noc2nc([C@H]3CCCN(Cc4cccc(F)c4)C3)cc(C(F)F)c12 19564345 ZMLZADDVPYSEKB-AWEZNQCLSA-N 375.394 4.988 0 40 GJAB Cc1ccccc1[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 20489340 AGTOWIFJZMKWLQ-NRFANRHFSA-N 385.916 4.857 0 40 GJAB O=C(Oc1ccc(Cl)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 22240088 VTWNTNHKJVKKHJ-UHFFFAOYSA-N 384.785 4.576 0 40 GJAB Cc1c(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cnn1-c1ccccc1F 25762983 WKOWEWVEWYMZDZ-UHFFFAOYSA-N 394.450 4.557 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(Cl)cc1Cl 28189322 UPXIXZYGOBLRRE-UHFFFAOYSA-N 382.272 4.767 0 40 GJAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@@H](c1cccs1)C1CCCC1 32396483 CNTZLZCVYABUDW-JOCHJYFZSA-N 399.512 4.530 0 40 GJAB CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 32837465 XXRBUULHDBXVRJ-ZDUSSCGKSA-N 390.530 4.704 0 40 GJAB S=C(Nc1ccccc1)NC1C[C@@H]2CCC[C@H](C1)N2CCc1ccccc1 35289792 DWWLHYFUJMEAKN-FRIKZZABSA-N 379.573 4.601 0 40 GJAB O=C(NCc1cccs1)Nc1ccccc1NC(=O)c1cccc(Cl)c1 36709663 YFCFVYGCXIQOFJ-UHFFFAOYSA-N 385.876 4.976 0 40 GJAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(Cl)cccc3s2)c(C)o1 38839564 HAHLFXUSRQCQFE-CYBMUJFWSA-N 390.892 4.985 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1 40052262 XVTFAXNONHYXIT-UHFFFAOYSA-N 395.890 4.558 0 40 GJAB Cn1cccc1CN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)on1 49026679 OCWLYCJFJJLQNA-UHFFFAOYSA-N 377.469 4.584 0 40 GJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@H]1CCc2cc(Cl)ccc21 55737744 AXGGYTVUHWXVSL-SFHVURJKSA-N 384.838 4.870 0 40 GJAB O=C(Cc1ccncc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 72357929 WVWYGUMCMBEBQZ-JOCHJYFZSA-N 391.902 4.627 0 40 GJAB Cc1sc2ncnc(Sc3ccccc3C(=O)N(C)CC3CC3)c2c1C 84065542 ZHGCUMLTLIYIAX-UHFFFAOYSA-N 383.542 4.941 0 40 GJAB O=C(C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NC1CC1 96052986 IIJXORWSKQOWMA-IBGZPJMESA-N 392.518 4.516 0 40 GJAB CC(C)(CNC(=O)c1ccc2c(c1)nnn2C1CCCCC1)c1ccc(F)cc1 141588544 ZUVZNYMFJFVHDM-UHFFFAOYSA-N 394.494 4.783 0 40 GJAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H](c1ccccc1)N1CCCCC1 141591367 JHSHZNPGSFVPMI-HXUWFJFHSA-N 390.449 4.591 0 40 GJAB Cc1nnc(S/C(=C\c2ccc(-c3cc(Cl)ccc3C)o2)C(=O)O)o1 211527807 BZMZYNBDALIRJQ-NVNXTCNLSA-N 376.821 4.818 0 40 GJAB Cc1ccccc1[C@H]1CCN(C(=O)c2cc(-c3cccs3)nn2C)CCS1 219288430 PBSHTGWUPGQFMJ-LJQANCHMSA-N 397.569 4.777 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)c1cc3ccccc3cc1OC)CC(C)(C)O2 219393916 PXVGWCYAAKRHTF-FQEVSTJZSA-N 391.467 4.889 0 40 GJAB S=C(NCc1ccc(Cl)cc1)Nc1ncc(Br)cc1Cl 223928204 PCGFQSKOPPQGQW-UHFFFAOYSA-N 391.121 4.638 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1Cl 224947378 NCLGPXAHPMQQLS-ZWKOTPCHSA-N 385.876 4.514 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccccc1 225458497 QMEKXENIAGVFTR-WIYYLYMNSA-N 398.572 4.501 0 40 GJAB COc1cc(CNC(=S)Nc2ccc(C)c(Cl)c2)ccc1OC(C)C 225530889 ZKQXTGVDTOFMKZ-UHFFFAOYSA-N 378.925 4.931 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225842034 NGHALDUVHRGCMO-BTYIYWSLSA-N 379.497 4.574 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 225883280 HYHNSPBZVPSICS-IBGZPJMESA-N 395.543 4.616 0 40 GJAB CCC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(F)cc(F)c2)C1 257220445 DKWDHZYVJNWPBI-QKNQBKEWSA-N 377.406 4.982 0 40 GJAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3O)nc2c1 408629125 ZQUAZLMOKWKCPT-UHFFFAOYSA-N 397.500 4.676 0 40 GJAB C[C@H](CCc1ccc(O)cc1)NC(=O)CCCc1ccc(Br)s1 535642595 MBPZZADCFGOVIR-CYBMUJFWSA-N 396.350 4.676 0 40 GJAB Cc1nn(C)c2ncc(CN[C@@H]3CCCCc4cc(Br)ccc43)cc12 670155846 NMQFHHCAMCRHKO-LJQANCHMSA-N 399.336 4.597 0 40 GJAB O=C(CCSc1ccccc1)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775978079 MYMQMNSVNJNRHA-IBGZPJMESA-N 383.538 4.747 0 40 GJAB COC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 955028 UQYNCRGTGPZZBH-CXUHLZMHSA-N 387.435 4.704 0 40 GJAB O=C(C[C@H](c1ccc(Br)cc1)n1cccc1)NC1CCCCC1 1393777 RDJZURILYBGGBE-GOSISDBHSA-N 375.310 4.679 0 40 GJAB Cc1nc(SCC(=O)N[C@@H](C)c2ccccc2)c2oc3ccccc3c2n1 2418629 JAZZOTFNXSRTMI-ZDUSSCGKSA-N 377.469 4.654 0 40 GJAB Cc1ccccc1Cn1nc(C)c(NC(=O)COc2ccccc2Cl)c1C 2763754 NUNXANDWKRYIKY-UHFFFAOYSA-N 383.879 4.528 0 40 GJAB Cn1cc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 4060472 PEXQIQAVHOGKGY-UHFFFAOYSA-N 380.391 4.808 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1c(F)cccc1Cl 4305138 YUTULEYJOSCVLO-SFHVURJKSA-N 384.838 4.606 0 40 GJAB Cc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1 4434908 BGXVLUGGXZNOBS-UHFFFAOYSA-N 375.476 4.552 0 40 GJAB CCOc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)c1 4731487 RIPZRHNDQYVOBC-NRFANRHFSA-N 391.471 4.676 0 40 GJAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cc2ccccc2oc1=O 5214347 XTOSGPCESHQMIQ-UHFFFAOYSA-N 396.855 4.746 0 40 GJAB CC(C)C(=O)c1cn(CC(=O)Nc2ccc(Br)cc2)c2ccccc12 6306627 ODYQJCZMYPBWBO-UHFFFAOYSA-N 399.288 4.881 0 40 GJAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(-c2cccc(Cl)c2)o1 7602209 XAPMUQBZFIUMAI-UHFFFAOYSA-N 383.864 4.660 0 40 GJAB CCOc1ccc2nc(NC(=O)c3cc(F)ccc3Br)sc2c1 7808578 DNYHPZASFSVRTQ-UHFFFAOYSA-N 395.253 4.849 0 40 GJAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 7929284 HTICCLBIKHDALV-HNNXBMFYSA-N 385.891 4.904 0 40 GJAB O=C(c1ccccc1Br)N1CCC(c2nc3ccccc3o2)CC1 8673432 FXCNSPCSKQMGRH-UHFFFAOYSA-N 385.261 4.610 0 40 GJAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(OC[C@H]2CCCO2)cc1 9836463 NKUGQFSBHGHUBS-LJQANCHMSA-N 395.455 4.538 0 40 GJAB Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@H](c1cc(F)cc(F)c1)C2 9938802 JMJBVPRNLSAANN-CYBMUJFWSA-N 395.434 4.981 0 40 GJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)OCCCO2 11760854 AOSSBZQZMOKBCF-UHFFFAOYSA-N 384.432 4.671 0 40 GJAB COc1ccc([C@H](NC(=O)c2oc3c(C)cccc3c2C)c2ccncc2)cc1 12148473 QPMCCTGCAQBJNA-NRFANRHFSA-N 386.451 4.973 0 40 GJAB Cc1nn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)ccnc2c1-c1cccs1 12154332 RKLZMOKIYRWGNT-HNNXBMFYSA-N 398.532 4.881 0 40 GJAB CSc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3ccc4nccnc4c3)C2)cc1 12389609 KASCFEGEGZUPJJ-NRFANRHFSA-N 390.512 4.685 0 40 GJAB COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)cc1 12420595 QSBVUFURAAUXRB-OAHLLOKOSA-N 397.427 4.735 0 40 GJAB Cc1nnc2sc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nn12 12857773 OYATXAHDRFGYIN-UHFFFAOYSA-N 385.452 4.567 0 40 GJAB Cc1ccc(CN(C)[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1 12913084 VJSTUMBSQPNXMV-CQSZACIVSA-N 379.485 4.746 0 40 GJAB CCc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12927071 BJUJZLBQMYYBCS-QHCPKHFHSA-N 376.525 4.897 0 40 GJAB O=C(Cc1cccc(F)c1)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 13000603 WWCHTIXQKRCEKY-UHFFFAOYSA-N 398.869 4.645 0 40 GJAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(Cc2ccccc2)C4)cc1 13718450 IUSBEUWSRQSGBC-UHFFFAOYSA-N 399.446 4.821 0 40 GJAB biogenic O=C(CNC(=O)C1CCCCC1)Nc1ccc(-c2nc3ccccc3s2)cc1 14113415 QEEVNONQQQDHLN-UHFFFAOYSA-N 393.512 4.598 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 15609127 BUUGUSCHWJTXRH-ZDUSSCGKSA-N 376.909 4.599 0 40 GJAB C[C@H](c1cccs1)N(C)Cc1nc(-c2cccc(Br)c2)no1 16435227 OTQMQALDLGOPAZ-LLVKDONJSA-N 378.295 4.754 0 40 GJAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1C 17052778 OWOGPELFYMTOGV-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB COC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)o1 17080526 SCNGIZUVUKVVAX-UHFFFAOYSA-N 394.377 4.923 0 40 GJAB Cc1ccc(C)c(C(=O)CSc2nc(O)c3c4c(sc3n2)CCCC4)c1 18056770 MKHGKPJKHSERJM-UHFFFAOYSA-N 384.526 4.868 0 40 GJAB COc1cccc(CNc2ccc([C@@H]3c4ccsc4CCN3C(C)=O)cc2)c1 19018131 BJMMMRYRBOZBKI-HSZRJFAPSA-N 392.524 4.863 0 40 GJAB CC(=O)Nc1s/c(=N\c2ccccc2)n(C[C@H]2CCCO2)c1-c1ccccc1 19898755 AVYCUZZTHWDZPC-MAVBTGMRSA-N 393.512 4.586 0 40 GJAB CCCCOc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccccc12 19942966 OHMWYPLKQFDLSN-IAGOWNOFSA-N 375.534 4.685 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 20141812 ZZCPHYJROUQVMS-UHFFFAOYSA-N 395.455 4.879 0 40 GJAB CC(C)CCSc1nc(N)c2c3c(sc2n1)CN(Cc1ccccc1)CC3 20827565 STZQANZRKJAPKC-UHFFFAOYSA-N 398.601 4.970 0 40 GJAB COc1ccc(-c2noc(-c3cccc(NC(=O)c4cccs4)c3)n2)cc1 20900035 KSKBOWQPBAPHAE-UHFFFAOYSA-N 377.425 4.726 0 40 GJAB C[C@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H](c2nc3ccccc3o2)C1 24666208 YSNTZTBWXHMIIA-ZIAGYGMSSA-N 380.473 4.880 0 40 GJAB CCCCOc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1Cl 27823974 TZAYZDZOFCZTBQ-CQSZACIVSA-N 379.909 4.659 0 40 GJAB c1ccc(-c2nc(NCc3cccnc3)c3oc(-c4ccccc4)nc3n2)cc1 27985941 DIOWCOQMUUQMKV-UHFFFAOYSA-N 379.423 4.959 0 40 GJAB Cc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1NC(=O)c1ccco1 29351892 SONTZTCCENBDLC-UHFFFAOYSA-N 392.440 4.544 0 40 GJAB C[C@@H]1c2cccn2CCN1C(=O)CSC(c1ccccc1)c1ccccc1 30796462 AJEKHCWAJKROPJ-GOSISDBHSA-N 376.525 4.914 0 40 GJAB CCCCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC)c2ccccc12 31904032 MBCRYRMWAVRUKP-KRWDZBQOSA-N 375.534 4.972 0 40 GJAB O=C(NCc1cccc(CN2CCCC2)c1)C(c1ccccc1)c1ccccc1 32462003 FUBGDYKPNSUYCJ-UHFFFAOYSA-N 384.523 4.731 0 40 GJAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccc(Br)c2)cc1C 32796170 YOLVWDUFUFTUOQ-OAHLLOKOSA-N 388.305 4.906 0 40 GJAB O=C(NCCc1ccc(F)cc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 36395272 CMVMOELLVBBSNX-MSOLQXFVSA-N 380.488 4.844 0 40 GJAB CCc1cc(C(=O)N2CCCCC2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621674 DBQXLZCYRIMUHP-UHFFFAOYSA-N 392.478 4.626 0 40 GJAB Cc1c(Cl)cccc1NC(=O)Cc1cc(-c2ccc3c(c2)C[C@H](C)O3)on1 38498859 GOXVTKKVTKLKTB-LBPRGKRZSA-N 382.847 4.808 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccc(C)c(N4CCCCC4=O)c3)oc12 38698980 DVAFVWJNUQBNPV-UHFFFAOYSA-N 378.428 4.519 0 40 GJAB Cc1ccc(C)c(CS(=O)(=O)Cc2c(C)nn(-c3ccccc3)c2Cl)c1 40127566 KJMRGNDKEUSDGX-UHFFFAOYSA-N 388.920 4.566 0 40 GJAB Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)N1CCN(c2ccccc2)CC1 54114282 DUHNMPWAWHWCHD-VWLOTQADSA-N 382.511 4.783 0 40 GJAB Cc1ccc(-c2nn(CNC(C)(C)c3ccccc3)c(=O)c3ccccc23)cc1 57995722 WZOXXWYEKDQLCD-UHFFFAOYSA-N 383.495 4.854 0 40 GJAB O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 67142326 MICWABZRHVVJHJ-ZDUSSCGKSA-N 391.368 4.741 0 40 GJAB COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCC4CC4)C=C3C)[nH]c2c1 77262162 QHMAEEPXIOPHFY-ZJOUEHCJSA-N 381.564 4.968 0 40 GJAB biogenic,in-vitro CC(C)n1ccc2c(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cccc21 95473087 LYHFIIHFMRAEFT-UHFFFAOYSA-N 396.918 4.999 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718487 RIJZLXUGHQHXRA-NSHDSACASA-N 397.689 4.947 0 40 GJAB CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 109046557 CHKIYNDAMSPSOR-YKJOPOJSSA-N 386.586 4.935 0 40 GJAB Cc1c(Cl)cccc1S(=O)(=O)N1CCS[C@H](c2cccs2)CC1 219547452 BJDXRMNPUGKKLJ-HNNXBMFYSA-N 387.979 4.579 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C)c1 222956551 JYLYZHMMAJFOQV-VXKWHMMOSA-N 390.556 4.953 0 40 GJAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)[nH]c2C)c1 224290673 IUXTYPJRUZFVSJ-NHCUHLMSSA-N 376.529 4.820 0 40 GJAB C[C@H](NC(=S)Nc1nc(Cl)cc(N2CCCC[C@@H]2C)n1)c1ccccc1 225963990 DTPKAVZOOAPMAC-KBPBESRZSA-N 389.956 4.556 0 40 GJAB COc1cc(/C=C/c2nnc(N)o2)ccc1OCc1ccc(Cl)cc1Cl 226338518 SEFPLLPSBSCLBR-XVNBXDOJSA-N 392.242 4.717 0 40 GJAB CCOc1ccc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)cc1 227153430 AREPRCQKHROBOP-UHFFFAOYSA-N 399.878 4.721 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 257279311 OGADVIASLQJQEK-QGZVFWFLSA-N 395.503 4.981 0 40 GJAB CCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 408621224 KSJDJGXBGPDVCE-UHFFFAOYSA-N 392.421 4.886 0 40 GJAB CCOc1c(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cccc1OC 409310304 UFGCRUNLWDWZMN-YBEGLDIGSA-N 389.860 4.988 0 40 GJAB COc1ccccc1-c1coc2c3c(cc(O)c2c1=O)OC(=O)C[C@H]3CC(C)C 524730220 ACGZFZYCSSJNMY-CYBMUJFWSA-N 394.423 4.613 0 40 GJAB biogenic CCOC(=O)[C@H](CC)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 942587 VQZXFNJSWHFWTC-IBGZPJMESA-N 396.439 4.923 0 40 GJAB Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1Cl 1789713 KTYLTZZQFBPZBC-UHFFFAOYSA-N 385.707 4.911 0 40 GJAB CC(C)(C)NC(=O)CN1c2ccccc2C(C)(C)[C@@]12C=Cc1ccccc1O2 2288921 YQUVPQYSNOMLIQ-DEOSSOPVSA-N 376.500 4.501 0 40 GJAB CCCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CCCC2 2739046 IMUUFWPBITWFCJ-JLHYYAGUSA-N 399.512 4.854 0 40 GJAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cccc2ccccc12 3296268 VZQBFPTZBDXYRW-UHFFFAOYSA-N 391.279 4.979 0 40 GJAB CCCn1cc(SCC(=O)Nc2nnc(SCC)s2)c2ccccc21 3581971 SPHPKGKMZXDFKJ-UHFFFAOYSA-N 392.575 4.746 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21 3648693 QRLDXKBTXDOZLM-HOTGVXAUSA-N 380.513 4.723 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)CSC3)c(C)c1 4274437 RXVVOCNNHMHHQB-UHFFFAOYSA-N 385.439 4.766 0 40 GJAB COc1ccccc1NC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1 4384087 DYGXGWPEELYKIO-UHFFFAOYSA-N 379.460 4.614 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 4675726 NMVOMUACOPDRDS-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB COc1ccc(OC)c([C@H]2O[C@H]3CCCC[C@@H]3c3cc(OC)c(OC)cc32)c1 4783742 HUVLGXCTVIMPTE-XLHILCRZSA-N 384.472 4.867 0 40 GJAB CCCCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 5047401 LDUDNIPFTINHAF-UHFFFAOYSA-N 388.471 4.714 0 40 GJAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)NCc1cccs1 5475967 SCRRQXGZTLFPNH-UHFFFAOYSA-N 380.494 4.720 0 40 GJAB COc1ccc(CCN(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 5525285 ICVPUIZHOBOKBT-UHFFFAOYSA-N 383.275 4.717 0 40 GJAB COc1cc(C=O)cc(Br)c1OC(=O)c1cccc2ccccc12 5661069 PHIHSVHKDLKNOB-UHFFFAOYSA-N 385.213 4.643 0 40 GJAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1cccc(C(F)(F)F)c1 6786770 YFAVFMVEQSEKIZ-LLVKDONJSA-N 383.391 4.596 0 40 GJAB CCn1c(-c2ccccc2)cnc1S[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 7125658 SSIIDKYCCIKQCF-MRXNPFEDSA-N 393.512 4.892 0 40 GJAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1sc2ccccc2c1Cl 7652636 VTDBZGATIYCSAD-LLVKDONJSA-N 391.880 4.516 0 40 GJAB Cc1csc2nc(CN(C)Cc3ccc(-c4ccc(Cl)cc4)o3)cc(=O)n12 7984662 CVXZNWSXCITHBE-UHFFFAOYSA-N 399.903 4.610 0 40 GJAB C[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc2c(c1)OCCO2 8036239 BEPVISYYPZOBSF-KRWDZBQOSA-N 389.451 4.528 0 40 GJAB O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccc2c(c1)CCCC2 8040469 PWQBUOIDOBRHHH-UHFFFAOYSA-N 394.474 4.825 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 8273553 VDGFDDYSQOFABY-UHFFFAOYSA-N 383.879 4.542 0 40 GJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C2SCCS2)cc1 8776905 MICFHAQSFFCAGU-UHFFFAOYSA-N 387.526 4.556 0 40 GJAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1Cl 11667280 WUEZOPBJOSUMQZ-AWEZNQCLSA-N 379.847 4.822 0 40 GJAB CC(C)(C(=O)N1CCC(c2cc3cccnc3[nH]2)CC1)c1ccc(Cl)cc1 12133434 WTDAECIUFYVUKG-UHFFFAOYSA-N 381.907 4.900 0 40 GJAB CCCC(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2cc(C)no2)cc1 12159061 VIJZZXMNNKHTEP-UHFFFAOYSA-N 378.476 4.647 0 40 GJAB CSc1ccccc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 12934308 JCWYDATYPXCSGI-UHFFFAOYSA-N 384.526 4.934 0 40 GJAB COc1cc(NC(=O)c2csc(-c3cccs3)n2)c(OC)cc1Cl 12937751 NEHWXBOGFQBWEV-UHFFFAOYSA-N 380.878 4.795 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1N1CCCC1=O 12938283 FKCDHJJLVBQMQH-LBPRGKRZSA-N 393.270 4.526 0 40 GJAB C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1Cl 13049340 DXRSJRDQBBIITQ-CQSZACIVSA-N 397.862 4.746 0 40 GJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]32)C1 13408418 WEMQGMZMEXLVDS-CPDXTSBQSA-N 378.553 4.950 0 40 GJAB biogenic CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccccc1Cl 14397111 KAVHGFRJJQOTJL-LJQANCHMSA-N 393.936 4.556 0 40 GJAB N#CC(=Cc1cccc(OCc2ccc(F)cc2)c1)S(=O)(=O)c1ccccc1 16777048 VMSDETYALRAGBG-UHFFFAOYSA-N 393.439 4.743 0 40 GJAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccccc3Cl)sc2C1 20897439 BFTSKTMUKBXEIG-GFCCVEGCSA-N 378.925 4.965 0 40 GJAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)OCc1nc2ccccc2o1 22281830 YGNMPQLWYFUPGR-UHFFFAOYSA-N 384.844 4.891 0 40 GJAB O=C(Cn1c(Cc2cccc3ccccc23)nc2ccccc21)N1CCCCC1 27696474 QDFZYKLOQZWLJA-UHFFFAOYSA-N 383.495 4.793 0 40 GJAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccc(-c2ccccc2)cc1 27933129 IPFRENUMVVCHJE-UHFFFAOYSA-N 387.405 4.697 0 40 GJAB Cc1nn(Cc2ccc(C(=O)Nc3cccc4cccnc34)o2)c(C)c1Cl 27981194 DDECJJRVKVJLKM-UHFFFAOYSA-N 380.835 4.595 0 40 GJAB CCC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2ccc3ccccc3c2)cc1 28919630 DRHLEGUHSPKJRN-HTAPYJJXSA-N 377.484 4.523 0 40 GJAB COc1ccc(CC(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc1 32071903 PTVATDPDBVPARG-UHFFFAOYSA-N 385.423 4.593 0 40 GJAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc(Cl)c1Cl 32912100 NLHFPONFRKWGGD-UHFFFAOYSA-N 388.298 4.850 0 40 GJAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccccc1SC(F)(F)F 32931757 OAIVVORUCPTOCF-UHFFFAOYSA-N 377.391 4.665 0 40 GJAB Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccccc3)n2)c1 33327229 MYEINIRWYPXCMF-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2c(-c3ccccc3)cnn12 36358411 DNHJKEAAJNCOJP-UHFFFAOYSA-N 396.372 4.976 0 40 GJAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1sc2ccccc2c1Cl 36392910 PIIIPVBVTPSYIW-ZDUSSCGKSA-N 396.903 4.969 0 40 GJAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc(CSC(F)F)o1 36397689 UPSYMQHKPKYSRT-UHFFFAOYSA-N 380.441 4.789 0 40 GJAB Cc1ccc(-n2nc(-c3cn(C)nc3C)c(C)c2-c2cn(C)nc2C)cc1Cl 36611600 KXVDLUDSGDNIOF-UHFFFAOYSA-N 394.910 4.560 0 40 GJAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 47081087 RCSULKZMJOZDTF-QGZVFWFLSA-N 382.529 4.573 0 40 GJAB COc1ccccc1[C@@H](C)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 53175087 CWUXCWWBIHLQNU-LLVKDONJSA-N 386.801 4.657 0 40 GJAB biogenic CN(C(=O)c1ccccc1SCc1cscn1)c1ccc(F)c(F)c1 56226889 DCBTWMCGCJINAE-UHFFFAOYSA-N 376.453 4.990 0 40 GJAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1F 59268010 XGAPEJOAZQNIAZ-UHFFFAOYSA-N 398.246 4.913 0 40 GJAB Cc1ccc2c(C(=O)N3CCC[C@@H](C)C3)cc(-c3cnn(C(C)C)c3)nc2c1 63883768 OOSOWFGDGLOFFZ-QGZVFWFLSA-N 376.504 4.860 0 40 GJAB O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1cccc(Cl)c1 67299257 WPSUKYDERWPOHL-FLFQWRMESA-N 394.814 4.547 0 40 GJAB COc1cc(C(=O)N[C@@H](CCN(C)C)c2ccc(Cl)cc2)cc2occc12 72244409 DPFAAZVWNPISQM-SFHVURJKSA-N 386.879 4.518 0 40 GJAB O=C(c1ccc(Oc2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1 72265291 PMVKZFQIXUVWIB-UHFFFAOYSA-N 382.847 4.688 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)[nH]n2)cc1 72331573 VQSJNGUCRNOONM-HNNXBMFYSA-N 381.451 4.886 0 40 GJAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@H]3c2ccc(Cl)cc2)cc1 95480838 GTWLAQMUIYJMMR-KRWDZBQOSA-N 399.859 4.648 0 40 GJAB Cn1cccc1CN(Cc1cccs1)C(=O)c1cc(Br)cs1 207974034 FRUVMWXTZMZYPM-UHFFFAOYSA-N 395.347 4.753 0 40 GJAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCS[C@H](c2ccccc2)CC1 208041770 UEEJJBSDYPAABZ-KRWDZBQOSA-N 381.419 4.906 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)N1CCS[C@@H](c2ccccc2Cl)CC1 208047114 LWMNDRDVVWZZJH-GOSISDBHSA-N 390.892 4.781 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NCC(C)C 224808584 CAKQALCEFYSWFV-KRWDZBQOSA-N 387.351 4.673 0 40 GJAB Cc1cccc(-c2noc(CNC(=O)CCc3ccc(Cl)c(Cl)c3)n2)c1 225340122 UOBYMGZGCWHINC-UHFFFAOYSA-N 390.270 4.601 0 40 GJAB COc1ccc(NC(=S)NCCSC2CCCCC2)c2cccnc12 225359639 YVKBAICEBZMEOF-UHFFFAOYSA-N 375.563 4.596 0 40 GJAB Cc1ccc(-c2noc(CNC(=O)CCc3c(Cl)cccc3Cl)n2)cc1 225363952 IGERKXDNGHOQBV-UHFFFAOYSA-N 390.270 4.601 0 40 GJAB CC[C@H](C(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 227631930 RYEIPTWOUQBGAZ-HBMCJLEFSA-N 398.478 4.995 0 40 GJAB CC(C)Sc1ccc(CC(=O)NC2(c3cccs3)CCOCC2)cc1 390828279 PRMUFWJGRCKOKQ-UHFFFAOYSA-N 375.559 4.613 0 40 GJAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 408681763 SJMKVXGKVRGJJH-SFHVURJKSA-N 394.515 4.772 0 40 GJAB Cc1ccc(-c2csc3ncnc(N[C@@H](CC(N)=O)c4ccccc4)c23)cc1 549608022 LSVVLTYRMWQACY-SFHVURJKSA-N 388.496 4.695 0 40 GJAB Cc1[nH]c2c(C)cccc2c1CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 1074468 NMJJGFFRPCVBAZ-UHFFFAOYSA-N 384.545 4.603 0 40 GJAB CCc1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1 1243996 UZRYBQFSKLNEAT-UHFFFAOYSA-N 388.880 4.977 0 40 GJAB N[C@@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 1269523 MUUFPRSGUCTVLB-HNNXBMFYSA-N 380.300 4.911 0 40 GJAB CCCc1nc(SCC(=O)N2CCC[C@H](C)C2)c2c(C)c(C)sc2n1 1372197 OZALIMJLGKUBLX-LBPRGKRZSA-N 377.579 4.611 0 40 GJAB C[C@@H]1CCc2sc(NC(=O)c3ccc(Cl)cc3Cl)c(C(N)=O)c2C1 1518481 OKXQABXNVWRYIN-MRVPVSSYSA-N 383.300 4.531 0 40 GJAB Cc1cccc(C)c1NC(=O)CCCOC(=O)CCc1nc2ccccc2s1 2634094 LBGGMWUUARSXQW-UHFFFAOYSA-N 396.512 4.808 0 40 GJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 2742017 UNVHYEOZHDOXPU-AWEZNQCLSA-N 376.566 4.907 0 40 GJAB C[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3Br)cc2)C1 2750686 RZJTYSAZYMRSHE-OAHLLOKOSA-N 388.305 4.900 0 40 GJAB CSc1ncccc1C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C 3256832 MMRXBUOBGJVBKY-UHFFFAOYSA-N 386.517 4.846 0 40 GJAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(OC(F)F)cc1 3269877 XCSUZIHANXWHCO-UHFFFAOYSA-N 397.377 4.751 0 40 GJAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(Br)o1 4249029 JIQIEMZHMBYXEP-UHFFFAOYSA-N 388.246 4.671 0 40 GJAB Cc1ccc(C(=O)[C@H](C)OC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 4399850 YYZXJZLPQIWXME-SFHVURJKSA-N 389.451 4.932 0 40 GJAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccccc2)cc1 4928659 BULZSZQMNJCECY-JOCHJYFZSA-N 395.418 4.525 0 40 GJAB Cc1ccc(N2CCN(c3cc(C)nc4c(-c5ccccc5)c(C)nn34)CC2)cc1 5516589 JKVADRDAMGXSHZ-UHFFFAOYSA-N 397.526 4.648 0 40 GJAB O=C(NC(=S)Nc1cccc2ccccc12)c1cccc(Br)c1 5594312 OHLYSKGKYYWAMH-UHFFFAOYSA-N 385.286 4.729 0 40 GJAB O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccnn1C1CCCC1 5971669 SCWFILGJEURDEI-UHFFFAOYSA-N 384.530 4.853 0 40 GJAB CCOc1ccccc1OCCCC(=O)Nc1ccc(C)cc1Br 6540242 BEEAWLAHSJUNEN-UHFFFAOYSA-N 392.293 4.954 0 40 GJAB COc1ccc(C(=O)Oc2cc(-c3ccc(F)cc3)c3oc(=O)sc3c2)cc1 6809690 ZWYZDDFZCMQMRT-UHFFFAOYSA-N 396.395 4.888 0 40 GJAB O=C(CCc1nc(-c2ccccc2)no1)OCc1c(Cl)cccc1Cl 7004478 JWMZDVFYEYWHEF-UHFFFAOYSA-N 377.227 4.719 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 7068771 PIVZZNXBYSOPCC-UHFFFAOYSA-N 386.860 4.795 0 40 GJAB COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc(OC)c1OC 7686058 JHGCOARGWHSTSO-QFIPXVFZSA-N 391.467 4.540 0 40 GJAB CC(=O)c1cccc(NC(=O)COC(=O)c2sccc2-c2ccc(C)cc2)c1 7803787 OCWWBZZKPRSSSZ-UHFFFAOYSA-N 393.464 4.722 0 40 GJAB Cc1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 7939900 ZAXMQYBLKTUCGO-UHFFFAOYSA-N 396.270 4.643 0 40 GJAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCC(c2nc3ccccc3o2)CC1 7990874 QWENUOSRJOFOAQ-UHFFFAOYSA-N 399.494 4.942 0 40 GJAB O=C(/C=C/c1nc2ccccc2o1)N1CCC[C@H]1c1nc2ccccc2s1 8231343 VKVDXHBPPZAIGZ-PCUGXKRQSA-N 375.453 4.814 0 40 GJAB Nc1c(C(=O)Nc2ccc(Cl)c(Br)c2)sc2ncccc12 8788341 VXOIVFNOCLVODN-UHFFFAOYSA-N 382.670 4.547 0 40 GJAB O=C(NCc1cccs1)c1ccccc1CSc1nc2ccccc2[nH]1 9378385 LUSOMNGUIRSZBI-UHFFFAOYSA-N 379.510 4.847 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 9467750 QLBDCSNOUDVYJE-QFIPXVFZSA-N 383.451 4.732 0 40 GJAB C[C@H]1CN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CCO1 11454927 VNVUBFBJIGKVCS-ZDUSSCGKSA-N 378.444 4.606 0 40 GJAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C(C)C)cccc3s2)on1 12422357 NBJDCPQGWGRHKO-UHFFFAOYSA-N 392.484 4.958 0 40 GJAB CCn1c(SCc2cccnc2)nc2scc(-c3ccccc3)c2c1=O 12545929 ACLBTJKTHIXUGG-UHFFFAOYSA-N 379.510 4.832 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2c(-c3ccccc3)nc3sccn23)cc1 12604446 BYNUALWRXCCGPJ-HNNXBMFYSA-N 377.469 4.777 0 40 GJAB CSc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 12804465 IRHIMBHQLYLUQM-UHFFFAOYSA-N 377.391 4.865 0 40 GJAB O=C(CN1CCC[C@H]1c1cccs1)Nc1cc(C2CC2)nn1-c1ccccc1 12939342 LCQZKYKGTGCMDQ-IBGZPJMESA-N 392.528 4.587 0 40 GJAB O=C(Cc1noc2ccccc12)Nc1cccc(NC(=O)Nc2ccccc2)c1 12989403 VLRYYOSIUWEAGE-UHFFFAOYSA-N 386.411 4.653 0 40 GJAB COc1ccc(CN(C)C(=O)COc2cc(C)c(Cl)cc2C(C)C)cc1 13096230 QWRUAACTSZQRCL-UHFFFAOYSA-N 375.896 4.818 0 40 GJAB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)O)cc1C 14007688 JNFNFBMGYQPYAS-UHFFFAOYSA-N 388.423 4.506 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ncc(-c2ccc(F)cc2)[nH]1 18457957 AXVGMTASHLXHGZ-CYBMUJFWSA-N 385.464 4.652 0 40 GJAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccccc3Cl)C2)n1 19286847 OBLAYYYNEKMJPU-KRWDZBQOSA-N 392.890 4.520 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 20609851 BXYAMRXAFUIWLI-UHFFFAOYSA-N 386.455 4.852 0 40 GJAB Cc1cc(C(=O)COC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c(C)[nH]1 22417075 JZPIITOEQGYXNR-UHFFFAOYSA-N 388.876 4.757 0 40 GJAB Cc1ccc(CN(C)C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 22525211 NTEAPMSCURYIPR-UHFFFAOYSA-N 384.523 4.826 0 40 GJAB O=C(CCN1CCC[C@H](C(F)(F)F)C1)Nc1ccccc1-c1ccccc1 23055006 JNMDDDZLSRMUFW-KRWDZBQOSA-N 376.422 4.957 0 40 GJAB Cc1nc(NC(=O)c2c(-c3ccccc3)noc2C)sc1-c1ccccn1 23497765 AYYGLXUXBXVCJY-UHFFFAOYSA-N 376.441 4.729 0 40 GJAB COc1ccc([C@@H](NCc2nc(-c3cccs3)no2)c2ccccc2)cc1 24923703 VZULHOAHLVNLNS-FQEVSTJZSA-N 377.469 4.686 0 40 GJAB COc1ccccc1NC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 25181844 KAEPMPSWAUKLEC-UHFFFAOYSA-N 379.441 4.829 0 40 GJAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(C)[C@@H](C)C(C)C 32245497 BFRUVZJXTYGDSV-ZDUSSCGKSA-N 382.335 4.841 0 40 GJAB Cc1nc2cc(NC(=O)/C=C/c3ccc(OCc4ccncc4)cc3)ccc2o1 32276841 UFJNTYNJAAWFAJ-RUDMXATFSA-N 385.423 4.762 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H](c2cccs2)C2CCCC2)C1 32397242 ATQNRRBJYOPOIL-WMZOPIPTSA-N 392.565 4.743 0 40 GJAB O=C(Nc1ccc(F)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 35314497 CJUYMMXAYHMQAG-DOMZBBRYSA-N 394.328 4.528 0 40 GJAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 40104767 ILIQCPUJGFTWBR-QRVBRYPASA-N 387.524 4.531 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 44880676 KOURETDRFVPVGA-AWEZNQCLSA-N 385.920 4.631 0 40 GJAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 46078949 IDTYAXFXSIDGKB-UHFFFAOYSA-N 388.442 4.979 0 40 GJAB O=C(NCc1cccs1)c1ccc(OCc2nc(-c3ccco3)cs2)cc1 49032340 SGZWEJQQYZNAML-UHFFFAOYSA-N 396.493 4.974 0 40 GJAB Cc1nnc2ccc(C(=O)Nc3ccccc3Oc3ccccc3Cl)cn12 58369761 GXZYTADYVWDUJJ-UHFFFAOYSA-N 378.819 4.736 0 40 GJAB O=C(COc1ccc2ccccc2c1)Nc1cc(F)c(N2CCCC2)c(F)c1 58412291 UGEOFHLYXRKQNE-UHFFFAOYSA-N 382.410 4.736 0 40 GJAB Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nc3ccccc3c2=O)cc1 60512712 KDBBYVYKAFSBFJ-UHFFFAOYSA-N 398.491 4.863 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Oc3ccccc3)nc2)cc1 72212148 BUGBKBDVVZPOTB-OAQYLSRUSA-N 394.496 4.708 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)Nc1cccs1)C(F)(F)F 72311238 RVVZYQSCSHUMFR-INIZCTEOSA-N 394.422 4.976 0 40 GJAB CNc1ncccc1CN1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72358220 GMWHFZKWYVERJX-JOCHJYFZSA-N 376.479 4.585 0 40 GJAB Cc1cccc2c1N[C@H](c1csc(-c3ccc(C(F)(F)F)cc3)n1)NC2=O 84229853 UGWUUVYGXDZBAV-INIZCTEOSA-N 389.402 4.991 0 40 GJAB COc1ccccc1-c1nc(CNc2ccc3c(c2)OC(F)(F)O3)cs1 95348524 NDGYVSCCNYKKJQ-UHFFFAOYSA-N 376.384 4.752 0 40 GJAB CCN(Cc1ccccc1)C(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1C 96147626 HPDJAPIJKSCPHZ-UHFFFAOYSA-N 396.494 4.811 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1C 222884795 WKBUKALJRKVXCW-LEWJYISDSA-N 376.529 4.563 0 40 GJAB C[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 222954909 YECWVHSRMGSFIQ-CQSZACIVSA-N 388.305 4.584 0 40 GJAB Cc1ccccc1CSCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 224985122 ZKHGELOKOPRSNE-UHFFFAOYSA-N 377.937 4.855 0 40 GJAB CCN(CC)c1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1N 226268697 KKIPUZCWMLNXNQ-UHFFFAOYSA-N 382.291 4.683 0 40 GJAB Cc1ccccc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 257311221 UIMBRTZSICVKBA-WKILWMFISA-N 381.501 4.810 0 40 GJAB CC(C)n1ccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c3ccccn23)c1 306126060 DKZZKXJDAZBBKP-UHFFFAOYSA-N 394.425 4.592 0 40 GJAB O=C(COc1c(Cl)cc(CO)cc1Cl)Nc1ccc(Cl)c(Cl)c1 408554105 ZEPIDWREFUYKNB-UHFFFAOYSA-N 395.069 4.810 0 40 GJAB CC(=O)c1cccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 408624421 SYKCFKNXLMHMNH-UHFFFAOYSA-N 382.872 4.823 0 40 GJAB CC(C)Sc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2s1 408748443 AINHIUHKWMLGOG-STQMWFEESA-N 378.519 4.626 0 40 GJAB CCOc1ccc(Nc2nc(-c3ccc(OCC)cc3)c(CC(=O)O)s2)cc1 408898240 VYGMILLOBQUQJD-UHFFFAOYSA-N 398.484 4.978 0 40 GJAB Cc1cccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccncc2)c1 409104052 DAJUSGPPOCZOGZ-UHFFFAOYSA-N 386.480 4.613 0 40 GJAB CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 409242731 STCMMYFEEFBTOF-RCCKNPSSSA-N 386.451 4.722 0 40 GJAB COc1cc([C@@H](C)NC(=O)NCc2noc3cc(F)ccc23)cc2ccccc12 1565258979 VGIQYQXCISAHBQ-CYBMUJFWSA-N 393.418 4.689 0 40 GJAB COc1ccc(CNc2ncccc2-c2nc(-c3cccc(F)c3)no2)cc1 1775968892 OOCCRJFRLBWHMF-UHFFFAOYSA-N 376.391 4.558 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 997287 PYQZTDXTSYGHSL-UHFFFAOYSA-N 385.419 4.786 0 40 GJAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccccn1 1355123 DBNKJBMPTOWXCW-UHFFFAOYSA-N 377.419 4.580 0 40 GJAB CCc1cccc(-n2c(N)c(C(=O)O[C@H](C)CC)c3nc4ccccc4nc32)c1 2235350 AVWOSUVSYUEFDM-CQSZACIVSA-N 388.471 4.674 0 40 GJAB CCCCN(C)c1ncnc2c1sc1nc(CC)c3c(c12)CC(C)(C)OC3 2270613 MMTVIFURRBFJBX-UHFFFAOYSA-N 384.549 4.890 0 40 GJAB O=C1CCCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 2626888 FKAKLYQSLBCMED-QGZVFWFLSA-N 387.892 4.844 0 40 GJAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2cc(C)ccc2C)cc1 2723211 SQGNGZYVXILJER-UHFFFAOYSA-N 381.501 4.619 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 3422806 BOXIEPFBKJVZST-HNNXBMFYSA-N 391.298 4.793 0 40 GJAB COc1cc2c(cc1OC)[C@H](Cc1ccc(OCc3ccccc3)cc1)NCC2 3847481 UABRBWMZIRBFFZ-QHCPKHFHSA-N 389.495 4.712 0 40 GJAB biogenic CCOc1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1 4433497 TZHXRWRQGKXSAS-UHFFFAOYSA-N 385.851 4.750 0 40 GJAB Cc1ccc(CNC(=O)C[C@@H](C)CC(=O)N(c2ccccc2)c2ccccc2)o1 4681140 OMGAWVREYITYSN-GOSISDBHSA-N 390.483 4.985 0 40 GJAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(nc3ccccc32)N1 4735573 TYLZEJFEYXULHU-OAQYLSRUSA-N 391.471 4.677 0 40 GJAB COc1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)cc1OC 5292936 LZHHIJABIKSBEW-UHFFFAOYSA-N 379.412 4.514 0 40 GJAB COc1ccc(CC(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1 6608262 MQXYERVMZUAKAD-UHFFFAOYSA-N 380.440 4.519 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc(Br)cc2Cl)cc1OC 7748135 QLDIGVGCLLKGBB-UHFFFAOYSA-N 398.684 4.691 0 40 GJAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)c1ccc2c(c1)CCC2 7789461 YUCUYRRSFHWEPU-CQSZACIVSA-N 379.481 4.532 0 40 GJAB COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 8114215 OGXIBWCUQGIFTC-UHFFFAOYSA-N 399.450 4.610 0 40 GJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc2noc(-c3ccccc3)c2c1 8133861 GABTVXTUKKMIQO-UHFFFAOYSA-N 397.434 4.874 0 40 GJAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(C2CCCCC2)C1 8475441 USZSYUFGODJCIX-OAHLLOKOSA-N 376.456 4.706 0 40 GJAB COc1ccccc1-c1nc(CSc2nc(-c3ccccc3)cn2N)cs1 8758150 CXDRXDMSCLRHHP-UHFFFAOYSA-N 394.525 4.688 0 40 GJAB COCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@H](c1cccs1)C3 9290262 CCTCZXLUUXAYDG-OAHLLOKOSA-N 389.480 4.517 0 40 GJAB Cc1cc(C)n(-c2nc(C)c(Br)c(N[C@H](C)c3ccccc3)n2)n1 9418664 JVOSJRHGKDOFCR-CYBMUJFWSA-N 386.297 4.523 0 40 GJAB CC(C)[C@@H]1C[C@](CCNCc2ccc3c(c2)OCO3)(Cc2ccccc2)CCO1 9476633 YMQSMSKDVMKHQY-DQEYMECFSA-N 395.543 4.959 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 9486762 VVKCUFSYABWPFB-MRXNPFEDSA-N 375.497 4.838 0 40 GJAB Cc1ccc(NC(=O)[C@H](Nc2ccc(C(N)=O)cc2)c2ccccc2)cc1Cl 9913250 ZUILXKRCBZLWBR-HXUWFJFHSA-N 393.874 4.539 0 40 GJAB O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2cccc(Br)c2)CC1 9986632 SDNZXSCHDUMNHE-MDZDMXLPSA-N 398.300 4.584 0 40 GJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 10447090 UEEVCFXEXFUYHR-UHFFFAOYSA-N 391.302 4.900 0 40 GJAB C[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)c1nc2ccccc2n1C(F)F 10638909 VGXFZJNSZMAEFY-AWEZNQCLSA-N 396.441 4.765 0 40 GJAB Cc1cccn2cc(COC(=O)c3c4c(nc5ccccc35)CC[C@@H](C)C4)nc12 12629370 IODVWLLGFYOIGO-OAHLLOKOSA-N 385.467 4.673 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 12745176 RXDCTSDDKJMBMA-HXUWFJFHSA-N 393.314 4.990 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1Cl 12787431 KWBSUBKDSNPQLP-UHFFFAOYSA-N 379.243 4.603 0 40 GJAB Cc1cnc(C(=O)N(Cc2ccccc2)c2nc3c(C)c(C)ccc3s2)cn1 12803159 OFJQVZZIGKHNFZ-UHFFFAOYSA-N 388.496 4.859 0 40 GJAB COc1cccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)c1 12934565 ZTSOZCRVJDVNDQ-BOPFTXTBSA-N 399.903 4.522 0 40 GJAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)/C=C/c1ccc(Cl)cc1Cl 13006108 YFBMEYNKBCQPLY-CKDFRHGISA-N 389.282 4.636 0 40 GJAB Cc1sc2ncnc(NC[C@H](c3c(F)cccc3Cl)N(C)C)c2c1C 13040027 HJWJDSTVTKWULY-CQSZACIVSA-N 378.904 4.815 0 40 GJAB O=c1[nH]c(/C=C/c2ccc3c(c2)OCCO3)nc2sc(-c3ccccc3)cc12 14022958 IIGJYKBAUIGEFF-VQHVLOKHSA-N 388.448 4.593 0 40 GJAB CN(Cc1ccc(Br)s1)C(=O)c1cc2ccccc2cc1O 18107715 LGPVVLNJASBXTM-UHFFFAOYSA-N 376.275 4.642 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1c(F)cccc1Cl 22907107 UMYXZQAESJPIEA-IBGZPJMESA-N 398.865 4.602 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 24221125 ZWHQHPWLFIWEEE-CABCVRRESA-N 380.469 4.938 0 40 GJAB O=c1c2ccccc2nc(SCc2ccc(F)c3cccnc23)n1C1CC1 24570192 NTBXGURVXCFBJM-UHFFFAOYSA-N 377.444 4.711 0 40 GJAB CNC(=O)c1ccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1 24832005 OSMFQXBZAZFWRY-UHFFFAOYSA-N 379.485 4.545 0 40 GJAB Cc1nc2ccccc2nc1SCC(=O)N(C)[C@@H]1CCCc2ccccc21 28191279 JYRMHWCRISAIQB-HXUWFJFHSA-N 377.513 4.566 0 40 GJAB COc1ccccc1-c1nc(-c2cccc(NC(=O)Cc3cccs3)c2)no1 28221921 PQJZJUARGCLCEO-UHFFFAOYSA-N 391.452 4.655 0 40 GJAB C[S@@](=O)Cc1cccc(C(=O)Nc2cccc(C3SCCCS3)c2)c1 28667097 MIWMCEVBSTZKBO-VWLOTQADSA-N 391.583 4.686 0 40 GJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2sc(-c3ccsc3)nc2C)c1 30273804 LGSCMNHKGXSDGR-LLVKDONJSA-N 385.514 4.629 0 40 GJAB CCCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c2cccnc12 32593392 IAAVJJJQXJFMLQ-XYOKQWHBSA-N 392.455 4.693 0 40 GJAB O=C(COc1cccc(-c2noc(-c3ccco3)n2)c1)Nc1ccccc1Cl 33327424 RBHMGGLJMKFHOG-UHFFFAOYSA-N 395.802 4.668 0 40 GJAB C[C@H]1CCCC[C@H]1n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 40396588 ADHNOXJVLABPMX-IFXJQAMLSA-N 376.435 4.602 0 40 GJAB COC(=O)c1c(NC(=O)CCc2ccc(Cl)cc2)sc2c1CCCC2 40995118 OLYIXRXXBJWLEP-UHFFFAOYSA-N 377.893 4.638 0 40 GJAB CCc1ccc(NC(=O)N(CC)Cc2cc(=O)[nH]c3c(C)cc(C)cc23)cc1 41076947 NNZFUEAKJXRHMV-UHFFFAOYSA-N 377.488 4.761 0 40 GJAB Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H](C)Sc4ccccc4)C3)[nH]c2c1 58196821 WBUQSMIOXQUHEK-SJORKVTESA-N 379.529 4.758 0 40 GJAB Cc1nc(C(=O)Nc2ccccc2C(F)(F)F)nn1-c1ccccc1Cl 63887890 KASAGZVQLDQCEN-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@H](c2ccccc2)O1 65591442 AZGHNCPCNIGPJW-SUMWQHHRSA-N 386.904 4.999 0 40 GJAB CC(=O)N1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215657 YULFZKVVLFLXMS-IBGZPJMESA-N 387.524 4.839 0 40 GJAB O=C1OCCN1c1cccc(NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1 72273996 DQNCZBSXXHJQGV-OAQYLSRUSA-N 391.471 4.717 0 40 GJAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 72374920 KQERNYXALLNMQR-IBGZPJMESA-N 378.520 4.733 0 40 GJAB Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)C2CCCC2)n1 72377066 YTXYSTGZXKGTLM-GOSISDBHSA-N 384.911 4.623 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC[C@H](C(=O)O)C4)cc3)sc2c1 85388484 OUAZWUKQRHZQNC-GJZGRUSLSA-N 380.469 4.711 0 40 GJAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1CCO 85430303 GJZVBMZJJALYHW-QHCPKHFHSA-N 386.426 4.512 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 95469947 XATXINRSRVVAGY-QWHCGFSZSA-N 389.402 4.966 0 40 GJAB CC(=O)Nc1cccc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)c1 95476166 ILQMLIPDFURYJP-GOSISDBHSA-N 395.890 4.913 0 40 GJAB CO[C@@H]1CCN(c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 96122315 TUMALPRZYLBXQH-OAHLLOKOSA-N 380.275 4.863 0 40 GJAB COc1ncccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12 97159032 DGYAJBKPFARILA-UHFFFAOYSA-N 394.456 4.532 0 40 GJAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(F)cc3F)o2)cc1C 107643892 WYNVLPGKZFYHHB-UHFFFAOYSA-N 386.423 4.968 0 40 GJAB COc1ccc(OCc2cc(C(=O)NCc3ccc(C)cc3)ccc2OC)cc1 224262457 HEVYAWOQCBXSIM-UHFFFAOYSA-N 391.467 4.521 0 40 GJAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc3ccccc3c2)c(C)c1 225066221 BZBDBOLFRVPATM-UHFFFAOYSA-N 397.496 4.540 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccc(OC)cc1 225490420 UNFOTKCFJGIIBW-IBGZPJMESA-N 397.544 4.568 0 40 GJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225619536 JWNLVBXRLZPCCT-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 225722293 OLNYQVMXWMKTFK-LJQANCHMSA-N 390.574 4.651 0 40 GJAB CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 225817639 PNCMNVKGGJHODW-HXUWFJFHSA-N 384.951 4.690 0 40 GJAB C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@@H]3[C@H](CC[C@@H]4[C@@H]3CC=C3C[C@H](O)CC[C@]34C)[C@H]1[C@H]2C 253590298 FNIVMUUUMKIEAO-RGWSFQKKSA-N 399.619 4.897 0 40 GJAB CCc1nc(C)sc1C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 257173744 WBJDRTYSQLVLJA-UHFFFAOYSA-N 377.922 4.721 0 40 GJAB CC1(C)CC2(CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)CO1 257228544 FUFRCSKGSHJNQU-UHFFFAOYSA-N 394.515 4.699 0 40 GJAB Cc1nccc(C2CCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)CC2)n1 257279660 OHPVRICHDPOCHT-UHFFFAOYSA-N 387.483 4.530 0 40 GJAB Cc1cnccc1-c1c[nH]nc1-c1ccc(CNC(=O)c2cccc(F)c2)cc1 257329786 XLNRUKIDGNUHKF-UHFFFAOYSA-N 386.430 4.516 0 40 GJAB Cc1cc(CN2CCC[C@H]2c2nc(-c3ccccc3Br)no2)ccn1 527538152 JIOQSQFPQBNXNN-KRWDZBQOSA-N 399.292 4.540 0 40 GJAB Cc1cc2c(cc1-c1ccnc3nc(-c4ccncc4)nn13)NC(C)(C)C[C@@H]2C 618256380 ILPBYWQCFFUDOX-HNNXBMFYSA-N 384.487 4.859 0 40 GJAB COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)c2ocnc2C(F)F)c1 626428942 XJHUPOHALVKIAK-HKUYNNGSSA-N 398.409 4.992 0 40 GJAB CCCCN(C(=O)Nc1c(Cl)ccc2c1CCO2)[C@@H]1CCCC[C@H]1OC 1670908010 JFMBGRUDJZRDLC-SJLPKXTDSA-N 380.916 4.867 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1ccccc1C(F)(F)F 1775977207 GWEIPNMTOAMHCZ-KRWDZBQOSA-N 391.414 4.897 0 40 GJAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 2049238329 GSSIBIORSPCRIO-PPUJWOGTSA-N 376.537 4.704 0 40 GJAB O[C@H](COc1ccc(Cl)cc1Cl)CN1CCC(Cc2ccccc2)CC1 597004 UQFKQDSFZGMCBG-IBGZPJMESA-N 394.342 4.688 0 40 GJAB CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2cnc3ccccc3c12 629155 YVZJMFTUUOATBH-UHFFFAOYSA-N 378.815 4.549 0 40 GJAB Cc1cccc(S(=O)(=O)N2CCS[C@H]2c2ccc3c4c(cccc24)CC3)c1 855042 DYLCUYDJKIHMFU-QFIPXVFZSA-N 395.549 4.683 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1C 878020 CJWJWUBUZOUQMP-UHFFFAOYSA-N 380.469 4.635 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3)C2=O)cc1 1013847 IWEJNPFDQVLAAY-LICLKQGHSA-N 388.876 4.845 0 40 GJAB CCc1nc(SCC(=O)Nc2ccc(C(C)=O)cc2)c2c(C)c(C)sc2n1 1372115 JMUKGHQHTWBMPM-UHFFFAOYSA-N 399.541 4.804 0 40 GJAB O=c1c2ccsc2nc(SCCOc2ccccc2)n1-c1ccccc1 2635987 QUWIHKLHVUPLQC-UHFFFAOYSA-N 380.494 4.618 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(COc2ccc(Cl)cc2)cc1 2645810 OVGZLHAQIVJDOA-UHFFFAOYSA-N 381.815 4.900 0 40 GJAB CCOc1ccc(NC(=S)N2CCS[C@@H]2c2c(F)cc(F)cc2F)cc1 2727702 FSJYBWNDZYAYJQ-QGZVFWFLSA-N 398.475 4.947 0 40 GJAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc1 3008322 ABXDBYSUBATMGM-UHFFFAOYSA-N 393.512 4.887 0 40 GJAB Cc1c(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)oc2ccccc12 3323777 LVMITDKFXWKFGS-UHFFFAOYSA-N 391.423 4.841 0 40 GJAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2cccs2)cc1C 3503904 YJRUAFVVNZQIIX-UHFFFAOYSA-N 378.449 4.636 0 40 GJAB Cc1cc(C)c(NC(=O)COC(=O)Cc2cccc3ccccc23)c(Cl)c1 3508140 VQOXTAXSQSRIRZ-UHFFFAOYSA-N 381.859 4.834 0 40 GJAB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NC1CCCC1 3565167 VKGMKFQSSJXKKL-UHFFFAOYSA-N 399.994 4.635 0 40 GJAB O=C(NC1CCCCC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 4060847 DYTSPLNXFVTPGZ-UHFFFAOYSA-N 399.331 4.631 0 40 GJAB CCOc1cc(C(=O)NCc2ccc3[nH]c(C)cc3c2)cc(OCC)c1OCC 4138034 ZLITYSJYXANUNK-UHFFFAOYSA-N 396.487 4.602 0 40 GJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1C(F)(F)F 4162620 UIEARYLCMCNOEP-UHFFFAOYSA-N 377.318 4.881 0 40 GJAB COc1ccc([C@@]23C[C@@H](C)Sc4ccccc4N2C(=O)C3(Cl)Cl)cc1 4658982 TWXWCGFGTNPMSD-KZULUSFZSA-N 394.323 4.996 0 40 GJAB COc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1 5035185 HNNGEXGLWWQAJO-UHFFFAOYSA-N 381.439 4.565 0 40 GJAB O=C(Cc1ccc(F)cc1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 5268279 MFPXXHPSDIFTIQ-UHFFFAOYSA-N 378.428 4.989 0 40 GJAB Cc1ccc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)c(Br)c1 5357746 BJTQMBPWJGOCML-UHFFFAOYSA-N 390.306 4.673 0 40 GJAB COc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccc1C)nn3CC(C)C 5575749 JTOMYTBNVJWEEB-UHFFFAOYSA-N 388.471 4.810 0 40 GJAB O=C(O)c1cc(-c2cccc3c2OCCO3)cc2ccc(Br)cc12 6220407 NNGXOHHPXVCNSL-UHFFFAOYSA-N 385.213 4.739 0 40 GJAB CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)sc2c1 6271659 MFPFZACYPJRBHR-UHFFFAOYSA-N 385.514 4.602 0 40 GJAB COc1cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc(OC)c1OC 7333501 RQAHSNSAVHGLKG-SDQBBNPISA-N 378.837 4.561 0 40 GJAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 7928110 NZQNOSAYPFDQMF-NSHDSACASA-N 397.689 4.947 0 40 GJAB CC(=O)Nc1ccc(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 8230279 MAHWJWVTFQRASH-UHFFFAOYSA-N 397.525 4.808 0 40 GJAB CCOc1ccc(-c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 9166566 RVHMXKSNANQUJV-UHFFFAOYSA-N 383.517 4.759 0 40 GJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Cc1c(Cl)cccc1Cl 10216427 YFLZEUBRGRITKL-UHFFFAOYSA-N 394.258 4.618 0 40 GJAB COc1cc(CCNC(=O)Nc2cccc3ccccc23)ccc1OC(F)F 11006002 NOWNXXQMBJFXDZ-UHFFFAOYSA-N 386.398 4.814 0 40 GJAB C[C@H]1CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)C[C@@H](C)O1 11560681 DGEAQYMWAGSDAC-IYBDPMFKSA-N 380.463 4.542 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1F 12757687 MAPMOVRPTWBSDT-UHFFFAOYSA-N 378.451 4.761 0 40 GJAB C[C@@H](NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1)c1ccncc1 12823581 MAJQYFMNYCRVEL-CQSZACIVSA-N 375.453 4.956 0 40 GJAB Cc1cccc(OCCCN2C(=O)N[C@@](C)(c3ccc(C(C)(C)C)cc3)C2=O)c1 12921698 QVRWTDFKWJPHMF-DEOSSOPVSA-N 394.515 4.529 0 40 GJAB CCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)cc1 13634858 QMDVVKGQTHQARL-NRFANRHFSA-N 391.471 4.677 0 40 GJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(Cl)cc1 16284435 YDYAQQMKYRUICE-UHFFFAOYSA-N 380.810 4.774 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c(C)c1 20144052 MWXSXACRZWFWKT-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1cccc(C)c1 21580731 UGMITSVQMIHAOE-UHFFFAOYSA-N 387.439 4.564 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCCC2)cc1 21897480 OWQIPTSKQAMOGE-UHFFFAOYSA-N 375.472 4.564 0 40 GJAB CC(=O)Nc1ccc(NC(=O)COc2ccc(Oc3ccc(C)cc3)cc2)cc1 22608898 MNTZCQRJBAFIGQ-UHFFFAOYSA-N 390.439 4.763 0 40 GJAB O=C(COc1ccc(Cl)cc1)OCc1cc(-c2cc3ccccc3o2)on1 22769008 MAWJYLSMCNQMEZ-UHFFFAOYSA-N 383.787 4.863 0 40 GJAB CN(C)C[C@@H](N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 22789456 ZIVTYNYWZTVDRW-JWQCQUIFSA-N 397.522 4.984 0 40 GJAB Cc1cc(C)c(-c2csc(NC(=O)CSc3cc(C)nc(C)n3)n2)c(C)c1 24568857 QRSCNWHFSBNEQQ-UHFFFAOYSA-N 398.557 4.873 0 40 GJAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc2c(c1)CCO2 29958186 AXSFOTIDHPYPEO-UHFFFAOYSA-N 398.256 4.555 0 40 GJAB CC(C)n1ncc2c(C(=O)N3c4ccccc4C[C@H]3C)cc(-c3ccco3)nc21 32865562 HHWKTRBNYSXXLG-OAHLLOKOSA-N 386.455 4.864 0 40 GJAB O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1ccc(F)cc1F 36760007 SPEOQYLILLMPOY-UHFFFAOYSA-N 378.831 4.847 0 40 GJAB Cc1noc(C)c1CN(C)C(=O)Nc1ccccc1N1CCc2ccccc21 44348552 ZOQZFNNOVVESOI-UHFFFAOYSA-N 376.460 4.650 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(O)cc2)CC1 48354400 KAXMMSJZKFRMBD-ZDUSSCGKSA-N 394.298 4.873 0 40 GJAB O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@H](c1ccccc1)c1ccccn1 48374721 KYVJXUYABHRJCS-RUZDIDTESA-N 381.479 4.915 0 40 GJAB Cc1sc2nc(-c3ncccn3)[nH]c(=O)c2c1-c1ccc(Cl)cc1Cl 54757210 PTWUXXBDJMAAGN-UHFFFAOYSA-N 389.267 4.724 0 40 GJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc(-c2cccs2)no1 71844191 YECOARUIDYTSBF-ZWKOTPCHSA-N 395.528 4.916 0 40 GJAB CCN(CC)Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3cc(C)ccc3[nH]2)o1 72346794 DXTJZKYTAUIWFO-FQEVSTJZSA-N 394.519 4.674 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nccs2)C12CCCCC2 72400337 HEXKIWIYMPTMJN-CRAIPNDOSA-N 397.544 4.823 0 40 GJAB COCCn1ccc2c(C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)cccc21 96222956 BJGRRPCLCUEVFJ-OAQYLSRUSA-N 387.483 4.576 0 40 GJAB O=C(NCC1(Sc2ccccc2)CCOCC1)c1cccc(C(F)(F)F)c1 96331081 RPGBFPIULAAUHJ-UHFFFAOYSA-N 395.446 4.777 0 40 GJAB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(O)C[C@@H](c3cccs3)CC1=N2 102713536 QBBKSTSZUCMONY-WLRWDXFRSA-N 398.438 4.991 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1C[C@H](C(C)(C)C(C)C)C[C@H](C)C1=O 102812044 JQRKTVYMLPNBDE-HCKSERAJSA-N 388.504 4.829 0 40 GJAB biogenic S=C(/N=c1\sc2c(n1Cc1ccccc1)CCCC2)Nc1ccccc1 105916583 ULAUFFVDNBBNIH-LNVKXUELSA-N 379.554 4.774 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 222975754 AYVLMLDXJPEKAG-QFIPXVFZSA-N 396.531 4.573 0 40 GJAB CC(C)CSc1nnc(NC(=O)CSCc2ccc(Cl)cc2)s1 223310842 HVMVNAMZMOUIMJ-UHFFFAOYSA-N 387.983 4.812 0 40 GJAB CC(C)CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223350369 FBDNQIQIHKDBPA-JOCHJYFZSA-N 380.532 4.575 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COCC(C)C 224448610 JDADIXOAHVFIDD-UHFFFAOYSA-N 392.293 4.883 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(SCC(C)C)s1 224786292 BLGLOLOXCRXBKH-CQSZACIVSA-N 379.551 4.699 0 40 GJAB O=C(CSCc1ccc(Cl)cc1F)NCCOc1ccc(Cl)cc1 225112023 QGXPHTXUHZPXEH-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB Cc1cc(NC(=O)CCc2c(Cl)cccc2Cl)ccc1N1CCCC1=O 225360920 QCVYHKPXFSANMZ-UHFFFAOYSA-N 391.298 5.000 0 40 GJAB CCOC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1C 225577990 JPXANZBCPHYAMJ-GOSISDBHSA-N 398.528 4.761 0 40 GJAB Cc1cccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3Cl)n2)c1 225813706 NTNBOKXNCGZFAH-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 225883265 HYHNSPBZVPSICS-LJQANCHMSA-N 395.543 4.616 0 40 GJAB Cc1ccc(COc2c(Cl)cc(-c3nnc(N)o3)cc2Br)cc1 226341896 FMLQTZWJIFOGOD-UHFFFAOYSA-N 394.656 4.622 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 408622002 OVXLEMOLRPCSKJ-UHFFFAOYSA-N 381.259 4.849 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)c1 408674478 ZQRJNKRJRVDRNB-OAQYLSRUSA-N 385.463 4.544 0 40 GJAB O=C(c1ccc(Oc2cccnc2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 590582736 XDKGZMDYJVCQFT-HXUWFJFHSA-N 388.423 4.580 0 40 GJAB CCOC(=O)CC[C@H](C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 1127225791 AQOHQGGQSFPNLJ-AWEZNQCLSA-N 393.405 4.834 0 40 GJAB Cc1nc(Cn2cnc3sc4c(c3c2=O)CCCCC4)sc1C(C)(C)C 1652376531 FWJSEHYTYYGYLG-UHFFFAOYSA-N 387.574 4.838 0 40 GJAB Cc1cccc(C(=O)Nc2nnc(COc3ccc(C(C)(C)C)cc3)s2)c1 811253 JWXQUVSEQOTSGG-UHFFFAOYSA-N 381.501 4.975 0 40 GJAB C[C@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 843935 KIBKZTJXDIKILT-ZMPKQRIUSA-N 393.486 4.510 0 40 GJAB O=C(Nc1nc(-c2ccccc2)cs1)c1cc(Br)ccc1O 947959 RKLOSWDETVWXDZ-UHFFFAOYSA-N 375.247 4.531 0 40 GJAB CCc1ccc(-c2nc3c4cnn(-c5cc(Cl)ccc5C)c4ncn3n2)cc1 2204456 VFJUNABAMQTVOO-UHFFFAOYSA-N 388.862 4.654 0 40 GJAB Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(O)cc2)cc1 2703970 MZTOTMCHKOUISG-QFIPXVFZSA-N 397.430 4.552 0 40 GJAB CCN(C(=O)COC(=O)c1sc2ccccc2c1Cl)C1CCCCC1 3235834 XCOACXFFNAXOBA-UHFFFAOYSA-N 379.909 4.893 0 40 GJAB O=C(Nc1ccccc1N1CCOCC1)c1cc(-c2ccco2)nc2ccccc12 3244527 XRZCOTUFNZMUBY-UHFFFAOYSA-N 399.450 4.584 0 40 GJAB Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)cc1 3376956 LGIJINWDAOIBDL-UHFFFAOYSA-N 375.396 4.866 0 40 GJAB COc1ccc(NC(=O)C[C@@]2(c3ccccc3OC)CCO[C@H](C(C)C)C2)cc1 4043055 IVYTXXQCTQTSQX-LADGPHEKSA-N 397.515 4.805 0 40 GJAB biogenic Cc1ccc(S(=O)(=O)Oc2c(C)ccc3c2N[C@H]2Cc4ccccc4[C@@H]32)cc1 4114310 DLDDWBXKFOARQU-SFTDATJTSA-N 391.492 4.553 0 40 GJAB Cc1cccc(C(=O)N2CCN=C2SCc2ccc(Br)cc2)c1 4119985 CXUMEXRTYIBMRP-UHFFFAOYSA-N 389.318 4.503 0 40 GJAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(Br)cc1 4176806 SZSAZNNOXNWHGY-UHFFFAOYSA-N 390.258 4.703 0 40 GJAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 4703054 MAAJOYYEKDBKPE-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 4984212 GSDUVFPTVHSJJI-QFIPXVFZSA-N 376.481 4.535 0 40 GJAB CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CO[C@H](C(C)C)C4 5024631 YQPQFDFBYKEJHR-AWEZNQCLSA-N 396.541 4.825 0 40 GJAB CC1(C)Cc2nc(-c3ccccc3)nc(SCC(=O)c3ccccc3)c2CO1 5325098 USTHPJRNTAHKGZ-UHFFFAOYSA-N 390.508 4.970 0 40 GJAB CCCCOc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1 5525124 BMHLFGLJULFBDW-GGAORHGYSA-N 378.516 4.622 0 40 GJAB COc1cc(NC(=O)c2ccc(C(=O)C(F)(F)F)cc2)c(Cl)cc1Cl 5915372 AONUXTNVAWSGKE-UHFFFAOYSA-N 392.160 4.999 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCc2cc(C(C)=O)ccc2OC)c1C 5995517 AMZRWBHUQLKQBI-UHFFFAOYSA-N 377.440 4.674 0 40 GJAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 6355902 STEUGUDCLGDMGA-NFBKMPQASA-N 381.560 4.895 0 40 GJAB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3cccc(F)c3)cc1)S[C@H](C)C(=O)N2 6678720 QGPVDZRWYFKJHP-BFUOFWGJSA-N 397.475 4.599 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn23)c1 6970992 PRYWZXYDVOSFDO-UHFFFAOYSA-N 387.439 4.579 0 40 GJAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(OCc2ccccc2)cc1 7831398 NFKMUZKFCGZODI-UHFFFAOYSA-N 397.478 4.724 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1CN1CCCCC1 7850417 PTGPOYUPAUIOMZ-UHFFFAOYSA-N 389.499 4.566 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)c1 8475467 YRHSBESUFQZQCG-INIZCTEOSA-N 384.435 4.886 0 40 GJAB O=C1c2ccccc2CC[C@H]1Sc1nc2ccccc2c(=O)n1-c1ccccc1 8816122 OXDMYNPFTHVGGV-OAQYLSRUSA-N 398.487 4.676 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10120124 RHZBSUFBEBUTGI-UHFFFAOYSA-N 386.451 4.999 0 40 GJAB CCOC(=O)c1sc(NC(=O)Cc2cc(C)ccc2C)nc1-c1ccccc1 10700395 MFDNICSSAAMWJG-UHFFFAOYSA-N 394.496 4.785 0 40 GJAB CCc1nc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cs1 12768404 RLGKPVYIKYPNQO-HSZRJFAPSA-N 394.540 4.870 0 40 GJAB COc1ccc(CNC(=O)CCCSc2ccc(Cl)cc2)cc1OC 12874905 UFOFBNQGGOMXIZ-UHFFFAOYSA-N 379.909 4.546 0 40 GJAB C[C@H](c1ccccc1)N(C)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12992439 KBTYZWYRZQVUPD-OAHLLOKOSA-N 375.497 4.845 0 40 GJAB FC(F)(c1nc2ccccc2[nH]1)C(F)(F)C(F)(F)c1nc2ccccc2[nH]1 13211718 JBMRNXNZRFFETO-UHFFFAOYSA-N 384.283 4.958 0 40 GJAB COc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N3CCC3)c2c1 14121373 JODTXFSMRQEYRH-UHFFFAOYSA-N 397.272 4.519 0 40 GJAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 18116750 BDCFJCFQIDAZBM-UHFFFAOYSA-N 395.768 4.805 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2ccc(Cc3c(C)noc3C)s2)cc1F 19581085 DFKHYMIHRBIHAB-NSHDSACASA-N 388.464 4.582 0 40 GJAB COc1ccc(C2(NCc3c(C)n(CCO)c4ccccc34)CCCC2)cc1 19581929 IECTZYSMXYODOA-UHFFFAOYSA-N 378.516 4.510 0 40 GJAB Cc1c(C(=O)Nc2ccc(C(C)C)cc2)nnn1-c1ccc(OC(F)F)cc1 19911383 USEXKYHCPLRPPR-UHFFFAOYSA-N 386.402 4.553 0 40 GJAB O=C(NCCc1csc(-c2cccnc2)n1)C(c1ccccc1)c1ccccc1 19942443 YZIPZLYLZBPJEU-UHFFFAOYSA-N 399.519 4.696 0 40 GJAB Cc1c(-c2nnc(Cc3ccc(Cl)cc3)o2)nnn1-c1cccc(Cl)c1 20745720 AANKYMFDIWARER-UHFFFAOYSA-N 386.242 4.523 0 40 GJAB CCc1oc2ccccc2c1/C=C/C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 24395984 RGLXMBCALSQEOD-BUHFOSPRSA-N 399.494 4.912 0 40 GJAB COc1ncccc1C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 24841633 YLCBNHLQNLDIPG-UHFFFAOYSA-N 390.317 4.516 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1 25159273 AGJYRHBCSXAZIT-FQEVSTJZSA-N 379.529 4.660 0 40 GJAB Cc1nc(-c2cc(C)n(CC(=O)N3CCC(c4ccccc4)CC3)c2C)cs1 25520355 CHPUPBZXILRYIT-UHFFFAOYSA-N 393.556 4.943 0 40 GJAB CCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 27584106 UGAAWPUMYWHSBL-QFIPXVFZSA-N 380.532 4.741 0 40 GJAB Cc1ccc(-n2c(S[C@@H]3CCCCCC3=O)nc3ccccc3c2=O)cc1F 29394300 QTZHUIUTZYYJSG-HXUWFJFHSA-N 396.487 4.827 0 40 GJAB O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 31207292 VTWNDECHKRMUMT-INIZCTEOSA-N 398.528 4.560 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2nc3cnccc3o2)c(O)c1 32102066 VTSPUHVHPMQKBV-FPYGCLRLSA-N 391.814 4.901 0 40 GJAB COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3cccc(C)c3)C2=S)cc1 45933150 ACMAEBANGSDRCH-UHFFFAOYSA-N 392.524 4.937 0 40 GJAB O=S(=O)(/N=C(\O)c1cc(F)c(Cl)cc1Cl)c1ccc(Cl)s1 48461002 IOORHNALWUMRRM-UHFFFAOYSA-N 388.656 4.541 0 40 GJAB Cc1cc(NC(=O)[C@H](Nc2cccc(Br)c2)c2ccccc2)no1 53780632 RCDJJWPVVYPQFP-QGZVFWFLSA-N 386.249 4.537 0 40 GJAB CCC[C@H](NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 57289804 ZIRXKQMDGZRQLN-NRFANRHFSA-N 376.504 4.559 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 57428733 BZRMGVKUZAROKP-UHFFFAOYSA-N 385.511 4.570 0 40 GJAB CC(C)c1ccc(CN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C2CC2)cc1 57562984 VSDDZXZWPWAJLT-UHFFFAOYSA-N 393.556 4.761 0 40 GJAB Cc1ccc(C)n1C1CCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)CC1 58106851 IEPUWIADQMLVCI-UHFFFAOYSA-N 375.516 4.942 0 40 GJAB Cc1nn(C[C@H](C)C(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C 60016551 GVTRTZOMEBCWNT-SNBNJOFPSA-N 379.548 4.533 0 40 GJAB CCCCOc1ccc(-c2cc3c(=O)n(Cc4cccc(C)c4)ccn3n2)cc1 64977370 SZTRXYRJFOIRAU-UHFFFAOYSA-N 387.483 4.699 0 40 GJAB C[S@@](=O)c1ccc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)cc1 69034484 PDYFZVIKQPCOHK-MHZLTWQESA-N 375.493 4.507 0 40 GJAB O=C(c1ccc(F)cc1Cl)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 77171592 GPVURWACZSALRD-INIZCTEOSA-N 387.760 4.712 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3c(F)c(F)cc(F)c3F)sc2C)cc1 95963528 PSTFNODPMQLNBH-UHFFFAOYSA-N 396.365 4.936 0 40 GJAB CCc1ccccc1NC(=O)N1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2 100426410 TZZXTHTXJRRGSL-NHCUHLMSSA-N 391.515 4.596 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)[nH]1 224860769 FIAJJZUUHYFSLD-RBUKOAKNSA-N 398.919 4.563 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)CSCc3ccc(F)cc3)ccc21 225161409 UWEHQTZURROWIJ-UHFFFAOYSA-N 390.505 4.655 0 40 GJAB CC[C@@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc(OC)c(C)c1 225296046 RBATXBSSZRZZNR-JOCHJYFZSA-N 391.515 4.746 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 225585533 JDTLWRNPBCSPII-NFBKMPQASA-N 394.559 4.568 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 225585688 MHOKOLUJOMYWQL-NZQKXSOJSA-N 394.559 4.568 0 40 GJAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1C 225708410 YFSRHDONUSEDEQ-SFHVURJKSA-N 395.572 4.977 0 40 GJAB CCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Nc3ccc(Cl)cc3)CC1)O2 225817902 ZZHFIXWUHMZZAX-UHFFFAOYSA-N 398.890 4.934 0 40 GJAB COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)C4CCCC4)C3)c2)cc1 257203297 APKPCSZDOYEIMJ-GOSISDBHSA-N 379.504 4.648 0 40 GJAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)Cc2cccnc2)CO[C@H]1c1cccc(F)c1 257221262 DOEKGTJOENDWKX-XWGVYQGASA-N 396.506 4.558 0 40 GJAB Cc1nc(Nc2cncc(C3CCN(C[C@@H]4CC=CCC4)CC3)n2)sc1C 257228839 FVMALZHLCHRTGT-QGZVFWFLSA-N 383.565 4.829 0 40 GJAB COc1cccc(CNC(=S)c2cccc(OCc3ccc(F)cc3)c2)c1 408571846 CUFHDMFHTQQRSG-UHFFFAOYSA-N 381.472 4.879 0 40 GJAB CCc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccc(Cl)cc1 409104894 KTJNQBOXHGPJOH-UHFFFAOYSA-N 386.908 4.522 0 40 GJAB CC(C)C[C@H](C)n1nccc1NC(=O)N1CCC2(C=Cc3ccccc3O2)CC1 666677263 FLNMOJQCIUOWQN-SFHVURJKSA-N 394.519 4.963 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)cc1F 1615125181 ZKGXJAOSOQHIQV-QHCPKHFHSA-N 384.470 4.937 0 40 GJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(COc2ccncc2Cl)CC1 1889186502 XOKGJTOEFVYNHI-UHFFFAOYSA-N 398.812 4.685 0 40 GJAB CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccccc1Cl 797496 SJKTZKOMTXOAAG-UHFFFAOYSA-N 389.908 4.831 0 40 GJAB O=C(Oc1ccc(Cl)cc1)c1cccc(C(=O)Oc2ccc(Cl)cc2)n1 876234 HNPLNDXDYBDQIL-UHFFFAOYSA-N 388.206 4.827 0 40 GJAB Cc1ccc(C)c(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 952109 SYIYVKXMGRGQGC-SOFGYWHQSA-N 378.255 4.805 0 40 GJAB Cc1ccc(C(C)C)cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(F)cc12 1074519 ULVPSLGFJYYQGC-UHFFFAOYSA-N 388.508 4.568 0 40 GJAB Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCC[C@H](C)C3)c2c1C 1340392 UXXTYBMJQQJQCZ-LBPRGKRZSA-N 377.579 4.782 0 40 GJAB COc1ccc(OC)c([C@@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)c1 2556197 XJXKMAKJQACSNW-BJKOFHAPSA-N 390.435 4.606 0 40 GJAB O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc2ccccc2c1 3329676 WWEVVUYRMMJNPO-UHFFFAOYSA-N 383.803 4.895 0 40 GJAB Cc1c(CC(=O)NC(C)C)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 4089193 LWRGLXHYINGTAN-UHFFFAOYSA-N 389.451 4.890 0 40 GJAB biogenic CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2C)n2c(nc3ccccc32)N1 4735577 DQIRGZKKDJATBP-OAQYLSRUSA-N 375.472 4.977 0 40 GJAB CC1CCN(c2ccccc2NC(=S)NC(=O)c2cc3ccccc3o2)CC1 5977734 FRZNAEXZWUSYRI-UHFFFAOYSA-N 393.512 4.796 0 40 GJAB COc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)cc(OC)c1OC 6213239 SFRMFFQAGMGLQJ-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB COc1ccc(-n2c(S)nnc2-c2ccc(Br)cc2)cc1Cl 6476376 YIUWYZDYBPDNBN-UHFFFAOYSA-N 396.697 4.648 0 40 GJAB CCOc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCS2)cc1 6870355 DQDMNZSEQTUZLP-UHFFFAOYSA-N 388.920 4.921 0 40 GJAB COc1cc(CNc2ccccc2C)ccc1OCC(=O)Nc1ccccc1 6969268 RWZYAVUKESXNKO-UHFFFAOYSA-N 376.456 4.633 0 40 GJAB O=C1CCc2cc(-c3csc(NC(=O)c4cccc(Cl)c4)n3)ccc2N1 7036837 BPBFPDKZDWECRM-UHFFFAOYSA-N 383.860 4.601 0 40 GJAB COc1ccccc1OCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 7262777 ZCTGORCNOKQBGS-UHFFFAOYSA-N 395.499 4.665 0 40 GJAB CCc1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(Br)c1 8200209 HQWNBXJMPQXIDD-UHFFFAOYSA-N 376.294 4.954 0 40 GJAB CC(C)c1ccc(CN(C(=O)CCCn2c(=O)oc3ccccc32)C2CC2)cc1 8357466 IEUMEWKOVGGCAA-UHFFFAOYSA-N 392.499 4.689 0 40 GJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCC1 9377730 NDOSJELAVCRVEX-INIZCTEOSA-N 388.964 4.733 0 40 GJAB Fc1ccc(CSc2nnc(Cc3ccc(Br)cc3)o2)cc1 10475660 NZKOPOBQFUBVHU-UHFFFAOYSA-N 379.254 4.854 0 40 GJAB CN(CC(=O)Nc1ccccc1N1CCCC1)C(c1ccccc1)c1ccccc1 12568417 AYCMKTCLEORKGE-UHFFFAOYSA-N 399.538 4.947 0 40 GJAB CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(OC)cc1 12971595 VZVUKJPYAQMDJK-LBPRGKRZSA-N 387.509 4.507 0 40 GJAB CCN(Cc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 13012925 LBJZLRIVWVRGAY-UHFFFAOYSA-N 382.460 4.802 0 40 GJAB Cc1cccc(CSc2nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o2)c1 16033360 VKFXJKTUEMAAKB-OAHLLOKOSA-N 377.510 4.892 0 40 GJAB O=C(COc1ccccc1)Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1 16790348 GXYNZBHFQBQTCA-UHFFFAOYSA-N 382.529 4.920 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)NCC1(c2ccccc2)CCOCC1 16968891 VDURXPILSIZWBP-UHFFFAOYSA-N 385.507 4.761 0 40 GJAB O=S(=O)(NCCSc1ccccc1)c1ccc(Oc2ccccc2)cc1 20041959 FOUUZJKPTZBYDG-UHFFFAOYSA-N 385.510 4.550 0 40 GJAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(Br)o1 20139787 BACNWSPLHSEBPD-UHFFFAOYSA-N 396.624 4.700 0 40 GJAB Cc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)o1 21524391 NCXQVHOFBBTZQK-INIZCTEOSA-N 384.863 4.946 0 40 GJAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1Br 24758071 MDDGGCMSAMGNGN-UHFFFAOYSA-N 398.684 4.691 0 40 GJAB CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 27581787 LUOPJQHPVVHTLK-JOCHJYFZSA-N 380.532 4.741 0 40 GJAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(Cl)c1 32073871 YUTWBYFXZKDFNF-INIZCTEOSA-N 398.825 4.823 0 40 GJAB CC(C)c1cc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)c(O)c(C(C)C)c1 32956598 QOLOUXJSZFTXGB-MRXNPFEDSA-N 383.488 4.501 0 40 GJAB CC(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(C)cc2)c(C(F)(F)F)c1 40104398 MOHJKFKDJQAQFF-UHFFFAOYSA-N 379.382 4.636 0 40 GJAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc(C(C)C)cc2)cs1 40128382 SKMZWKUBQYDVDT-UHFFFAOYSA-N 383.473 4.601 0 40 GJAB CCC(=O)N1CCc2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)ccc21 40144836 XKLUZWOMJPCWRJ-UHFFFAOYSA-N 385.467 4.982 0 40 GJAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1ccccc1OCc1ccccn1 49546466 CSTLUCZDIXOCII-KRWDZBQOSA-N 376.460 4.736 0 40 GJAB COc1ccc(C(=O)C2CCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)cc1 56320907 CREYEHDIEUFZAJ-UHFFFAOYSA-N 396.874 4.565 0 40 GJAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nc(C)cs2)cc1 61720832 FZODJBDYVFOCNW-UHFFFAOYSA-N 396.497 4.627 0 40 GJAB CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccc(Cl)c(Cl)c1 72303662 FBBQCLHPDVQOAO-UHFFFAOYSA-N 392.330 4.767 0 40 GJAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 72397175 OOEHXHHVENESOG-AGIUHOORSA-N 395.450 4.586 0 40 GJAB O[C@H](Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(OC(F)(F)F)cc1 95951625 CXSISJJNERJDPP-CQSZACIVSA-N 390.283 4.687 0 40 GJAB CC(C)Oc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)cc1 96119049 QZLNKPICVWQFQF-MRXNPFEDSA-N 397.500 4.605 0 40 GJAB O=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1ccc(C(F)(F)F)cc1 96119588 CGDSPUZGFXMUBS-UHFFFAOYSA-N 387.361 4.809 0 40 GJAB O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 96627175 QXZYMLJWVUIGTD-LJQANCHMSA-N 397.950 4.791 0 40 GJAB COC(=O)c1cc(NC(=O)c2oc3c(Cl)cccc3c2C)c(F)cc1F 122866514 PNWMMPJEHYXGQV-UHFFFAOYSA-N 379.746 4.712 0 40 GJAB O=C(CC(F)(F)F)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 208005536 PBRAZOMCPLLFIX-UHFFFAOYSA-N 378.379 4.840 0 40 GJAB CCCCCCOc1c(Br)cc(C(=O)O)cc1Br 218003932 ZHJSRWTTZHVDQR-UHFFFAOYSA-N 380.076 4.869 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1 218987360 OAXAXHYYGXOXRS-LJQANCHMSA-N 375.468 4.771 0 40 GJAB O=C(CSCc1c(F)cccc1Cl)NCCOc1ccc(Cl)cc1 223455522 JQSNQYBJAYWHPJ-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB Cc1cc(Cl)cnc1NC(=S)NCC1(c2ccc(F)cc2)CCCC1 223982202 ISWJATSSXVYUIX-UHFFFAOYSA-N 377.916 4.981 0 40 GJAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C 224429599 LRQPVCFFWHSGQB-NHCUHLMSSA-N 394.519 4.836 0 40 GJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCC1(c2ccccc2)CCOCC1 225341677 HZIWSJNGTNHZJZ-UHFFFAOYSA-N 392.326 4.791 0 40 GJAB Cc1cc(NC(=S)N[C@@H](C)COc2ccccc2C)ccc1Br 225635373 VFFZKJMZLDOASN-AWEZNQCLSA-N 393.350 4.820 0 40 GJAB O=C(c1nc2ccccc2s1)N1CCC(Oc2cccc3cccnc23)CC1 225705401 NKWLUVMFEDYYRH-UHFFFAOYSA-N 389.480 4.528 0 40 GJAB CCOc1ccc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C 225880886 NSPJAXJYFLGBCX-UHFFFAOYSA-N 393.487 4.671 0 40 GJAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(F)cc2Br)o1 227144777 DCEPSPVMYJUPET-UHFFFAOYSA-N 389.224 4.991 0 40 GJAB Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)s1 257209147 BPEWQGQFVYNGDF-IBGZPJMESA-N 395.528 4.635 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c1 408627788 NTNABXPJCTXEJK-UHFFFAOYSA-N 383.698 4.538 0 40 GJAB CCOc1ccccc1N=c1[nH]c(-c2ccc(C)c(C)c2)c(CC(=O)O)s1 408898560 WXPGNIMDLSVEOG-UHFFFAOYSA-N 382.485 4.618 0 40 GJAB COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(OC)c1C 409124896 BUFSBNWJIRFICE-GZTJUZNOSA-N 375.490 4.629 0 40 GJAB CCCCCN1C(=O)S/C(=C\c2cc(Br)ccc2OC)C1=O 409209177 GPVSTWVKLACYNL-UVTDQMKNSA-N 384.295 4.684 0 40 GJAB O=c1[nH]c(/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2cnccc12 513436685 IBSVPEZIWYVBJM-FNORWQNLSA-N 383.329 4.767 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H](C)c3ccncc3F)c12 585080255 UKHWJZMGEYGFIO-ZDUSSCGKSA-N 397.498 4.643 0 40 GJAB COC(=O)c1c(NC(=O)c2cc(F)c(F)cc2Cl)sc2c1CCCCC2 668325 QKWQLJVRLRDSFG-UHFFFAOYSA-N 399.846 4.988 0 40 GJAB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cccnc1Cl 908793 MGJSBZSYCYMEJS-UHFFFAOYSA-N 385.210 4.844 0 40 GJAB O=C(c1cccc(F)c1)N(C[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 932629 QCGFXVZWKWQIJM-GOSISDBHSA-N 382.460 4.775 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nccs1 1019989 MJCHBJYIEDXLDZ-MRXNPFEDSA-N 394.839 4.653 0 40 GJAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1C1CC1 1364673 DAAINGTUDXYCDF-UHFFFAOYSA-N 378.501 4.632 0 40 GJAB COC[C@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 1447656 XZWBVVYCCYLQEE-INIZCTEOSA-N 388.471 4.543 0 40 GJAB CCOCCOC(=O)N[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc21 2193176 ACDUCLYLJDPXGT-MRXNPFEDSA-N 377.893 4.851 0 40 GJAB Cc1nc2oc3c(NCCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2208165 YTFKQWNLQXCULI-UHFFFAOYSA-N 388.471 4.585 0 40 GJAB Cc1nc(SCC(=O)N[C@H](C)c2ccccc2)c2oc3ccccc3c2n1 2418630 JAZZOTFNXSRTMI-CYBMUJFWSA-N 377.469 4.654 0 40 GJAB C[C@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N(C)Cc1ccccc1 2659243 XKCHQAQUCRLFLF-SFHVURJKSA-N 389.451 4.683 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)CSc1ccc(Br)cc1 3222156 BQINPTBRTKTNQD-AWEZNQCLSA-N 378.335 4.679 0 40 GJAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(OC(F)(F)F)cc1 3235685 RZVHHDHXDVDNRJ-UHFFFAOYSA-N 389.329 4.534 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC1CCCCC1 3278504 KFHCUZWJAOYFFM-HXUWFJFHSA-N 384.907 4.650 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N(C)C3CCCCC3)s2)cc1C 3285892 DIELYKMDIRPJLU-UHFFFAOYSA-N 390.578 4.782 0 40 GJAB COc1ccc(Br)c(C(=O)Nc2nc(-c3ccccc3)cs2)c1 3480802 NITLUBRVPWXWGK-UHFFFAOYSA-N 389.274 4.834 0 40 GJAB COc1cccc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)c1OC 4249059 MHTYHDQMPGFMDE-UHFFFAOYSA-N 393.468 4.641 0 40 GJAB CCc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1 4518133 DJTMBSRTJPUXMQ-UHFFFAOYSA-N 389.503 4.806 0 40 GJAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 4575545 XFCGFNMQZATKKP-UHFFFAOYSA-N 386.542 4.837 0 40 GJAB Cc1cc2nc(N(CCCN(C)C)C(=O)c3cccc(F)c3)sc2cc1C 4586169 YXHZXLQUDOJFKG-UHFFFAOYSA-N 385.508 4.651 0 40 GJAB CCc1nnc(Nc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)s1 5508764 UECNMPZGONIHKZ-UHFFFAOYSA-N 392.444 4.614 0 40 GJAB O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc2oc3ccccc3c2c1 5777055 NRYUWFVERIXRAT-UHFFFAOYSA-N 385.872 4.760 0 40 GJAB C[C@@H]1CCc2sc3nc(NCc4ccccc4)n4c(=S)[nH]nc4c3c2C1 5998365 GNLUOWXNFVZWKB-LLVKDONJSA-N 381.530 4.738 0 40 GJAB Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)c(C)c1 6472572 OGVKBJNYIWOHOO-UHFFFAOYSA-N 376.437 4.786 0 40 GJAB O=C(N[C@@H]1CCOc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccccc1 7215456 SJAVTDSHQVRQET-JOCHJYFZSA-N 395.462 4.793 0 40 GJAB CCC(=O)c1cc(Cl)ccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 7462860 UAOORMCLOPRBGW-CYBMUJFWSA-N 385.847 4.935 0 40 GJAB COc1ccccc1N1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 7983491 ONVIOWSQORBNIC-UHFFFAOYSA-N 396.874 4.571 0 40 GJAB O=C(NCc1ccccc1)c1cccc(OCc2coc(-c3cccs3)n2)c1 8121431 QLWSBZVVDYRSOG-UHFFFAOYSA-N 390.464 4.912 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)c(C)c2)cc1 8341658 QMCCZZLBNGLOLT-UHFFFAOYSA-N 395.547 4.568 0 40 GJAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 8475454 RMFFIKRPNRHIQB-AWEZNQCLSA-N 388.398 4.717 0 40 GJAB Cc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c1C 8756111 QYRUEUKSBVBNHT-UHFFFAOYSA-N 382.467 4.863 0 40 GJAB COc1cccc(C(=O)Nc2nnc(Cc3ccc(Cl)c(Cl)c3)s2)c1 9166155 SBWNOSPXKZPSHC-UHFFFAOYSA-N 394.283 4.697 0 40 GJAB Cc1ccc(-c2onc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc23)cc1 9528996 UNPLKSSWMPHIJX-UHFFFAOYSA-N 397.478 4.766 0 40 GJAB COc1cccc(CN2C(=O)c3ccccc3[C@@H]2c2cn(C)c3ccccc23)c1 9667291 UCOKCVXYTKVNQQ-XMMPIXPASA-N 382.463 4.932 0 40 GJAB COc1ccc2c(c1)CCCN2C(=O)Cc1sc(C)nc1-c1ccc(C)cc1 10542286 HZBBFMBRABTNLE-UHFFFAOYSA-N 392.524 4.957 0 40 GJAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)on1 11175733 XAOYFBYBNNQFGX-CQSZACIVSA-N 390.468 4.713 0 40 GJAB CC[C@H](C)c1ccc(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cc1 11473558 ZWWDWYNLZVKLKT-HNNXBMFYSA-N 379.460 4.830 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3c(C(C)C)noc3C)sc2C)cc1F 12191876 MNJAOJRCEKVUNE-UHFFFAOYSA-N 389.452 4.938 0 40 GJAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3cccs3)n2)cc1 12441921 OYRFFYGRNTUGFM-UHFFFAOYSA-N 394.525 4.855 0 40 GJAB CC(=O)c1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c(F)c1 12557803 DAAYKQOCPCUGRS-UHFFFAOYSA-N 383.854 4.557 0 40 GJAB O=C1CCC[C@@H]1Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 12635453 OMTXARYPNRKILD-SFHVURJKSA-N 383.904 4.725 0 40 GJAB CSc1nc(C)c(CCC(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)c(C)n1 12754906 KIOUILCBEXZFBB-LJQANCHMSA-N 391.968 4.915 0 40 GJAB CCc1nnsc1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 12764862 GWUKPEFDKYGUQG-UHFFFAOYSA-N 380.498 4.553 0 40 GJAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccccc1Cl 12980517 HWUFDTPENXOKOM-OAQYLSRUSA-N 382.916 4.988 0 40 GJAB COc1cc(Cl)c(C)cc1Nc1cc(C)nc2nc(-c3ccccc3)nn12 16268073 VPNAZWYNOIRWKR-UHFFFAOYSA-N 379.851 4.814 0 40 GJAB CCC[C@@H](C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)n1nc(C)cc1C 19501816 CGGWJERSSNTFQI-SIKLNZKXSA-N 399.535 4.516 0 40 GJAB Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 19691688 DADVKLUFSZALOC-QFIPXVFZSA-N 398.934 4.519 0 40 GJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1c2c(nn1-c1ccccc1)CCC2 22283096 FPNIYTVIWZYUSU-UHFFFAOYSA-N 398.466 4.587 0 40 GJAB Cc1cc(C)n(CCCNC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 23246405 ICSXDMXPQDPCFB-UHFFFAOYSA-N 382.316 4.842 0 40 GJAB CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 26121222 OZRBZNTVCKTAOW-UHFFFAOYSA-N 382.552 4.807 0 40 GJAB CC(C)Cc1cc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)n[nH]1 31806794 IOJQNZUTXILGED-UHFFFAOYSA-N 393.303 4.748 0 40 GJAB Cc1nc(NC(=O)c2ccc(F)cc2)sc1-c1nc(-c2ccccc2)no1 31813375 HHOIWNKCYURREH-UHFFFAOYSA-N 380.404 4.560 0 40 GJAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cc2ccccc2o1 32073529 NCCISKKLMXDEKT-UHFFFAOYSA-N 385.379 4.897 0 40 GJAB Cc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4)n3)c2)cc1 33327227 VMLFNPWBYAHEMW-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB O=C(NCCc1ccc(F)cc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 36395271 CMVMOELLVBBSNX-QZTJIDSGSA-N 380.488 4.844 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCc2ccc(C)c(Cl)c2)c1 36626079 FCMCZJWVXLNEEF-HXUWFJFHSA-N 387.907 4.962 0 40 GJAB CCN(C(=O)NC1CCN(c2ccccn2)CC1)[C@H](C)c1cc2ccccc2o1 56658030 VYRZUBPLKFYCFC-QGZVFWFLSA-N 392.503 4.589 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(C(=O)CNc4ccccc4Cl)CC3)c2c1 63645382 JXBZCOABQCAGIP-UHFFFAOYSA-N 395.890 4.558 0 40 GJAB Cn1cc(CCCC(=O)Nc2nc(-c3ccncc3)cs2)c2ccccc21 72405586 LVKOHDZGLAJIQR-UHFFFAOYSA-N 376.485 4.658 0 40 GJAB Cc1nc(NC(=O)n2ccnc2)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1 95642795 XKWIRHMVEKODNE-UHFFFAOYSA-N 395.410 4.630 0 40 GJAB CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 216818802 XSSZOBQKXRSJTA-UHFFFAOYSA-N 387.632 4.997 0 40 GJAB O=C(Nc1ccc(Br)cc1F)c1cc(-c2ccc(F)cc2)on1 224067144 NWWMKIMMKNFCIE-UHFFFAOYSA-N 379.160 4.635 0 40 GJAB Cc1cc(C)cc(CSCC(=O)NCc2ccccc2CN2CCCCC2)c1 224806569 WBPVYZZDGFABGT-UHFFFAOYSA-N 396.600 4.839 0 40 GJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(OC)c(Cl)c3)o2)c1 224847605 CNPFYFDWSTYMMH-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB S=C(NCCCN1CCCCCC1)Nc1ccc(OC2CCCC2)cc1 225401197 UAVIHAYJUYAJSJ-UHFFFAOYSA-N 375.582 4.561 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccnc(-c2cccs2)c1 239578959 DCMGWNJFNXDWLU-UHFFFAOYSA-N 391.323 5.366 0 40 GJAB O=C(NCC1CCCCC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257210500 BUXVLSCQKPJEFM-UHFFFAOYSA-N 392.543 4.784 0 40 GJAB Cc1c(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cnn1-c1ccccc1 390829068 WKRMQHYHKYBLQY-UHFFFAOYSA-N 393.450 4.748 0 40 GJAB COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C(C)C 408682545 YYXVXTCSFNXECW-UHFFFAOYSA-N 395.524 4.887 0 40 GJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)S2)cc1 408783952 QYNBQMGHSVVORR-ODZYNRFZSA-N 395.311 4.861 0 40 GJAB FC(F)(F)c1ccnc(N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 572940054 FMRBGSGJMDBISX-CYBMUJFWSA-N 381.789 4.757 0 40 GJAB CCc1ccc2occ(C(=O)N[C@H](C)[C@H](O)c3c(F)cccc3Cl)c2c1 1545594987 AUHMDCIRIWNNMD-WYRIXSBYSA-N 375.827 4.640 0 40 GJAB CCC(=O)Oc1cc2oc(CC)c(-c3ccc4c(c3)OCO4)c(=O)c2cc1CC 630382 KHSOHCLKFNQNOC-UHFFFAOYSA-N 394.423 4.629 0 40 GJAB biogenic Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)Nc3ccccc3F)n12 929694 GQRHYDFDNARRBW-UHFFFAOYSA-N 394.475 4.678 0 40 GJAB CCCCn1c(SCC(=O)c2ccc(OCC)cc2)nc2ccccc2c1=O 2625907 DJXGHEHWPDDRFP-UHFFFAOYSA-N 396.512 4.570 0 40 GJAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 2764764 VDJHONBBLJSAHT-SJORKVTESA-N 380.469 4.793 0 40 GJAB O=C1CCC[C@@H]1[C@@H](Nc1ccc(I)cc1)c1ccccc1 3085794 DGQNMZQQSHHYKF-WMZOPIPTSA-N 391.252 4.814 0 40 GJAB CC1CCN(C(=O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)CC1 3294401 QACVINRKJIYNFI-UHFFFAOYSA-N 390.578 4.756 0 40 GJAB C[C@H](C(=O)NCc1ccc(Cl)cc1)n1c(C(F)(F)F)nc2ccccc21 4025137 FTJQNYIDWBORII-LLVKDONJSA-N 381.785 4.586 0 40 GJAB COc1ccccc1Cn1c(COC(=O)c2cccs2)nc2ccccc21 4626509 WAJOJMZVPDMMAS-UHFFFAOYSA-N 378.453 4.512 0 40 GJAB COc1cccc(-c2cn3cc(-c4ccc(Br)cc4)nc3n2C)c1 4678552 XGTBODXOJHFEKP-UHFFFAOYSA-N 382.261 4.778 0 40 GJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)c2c[nH]c3ccccc23)c1 4717876 UJEMPNDJNOUNSU-UHFFFAOYSA-N 397.434 4.550 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccccc1 4816840 UISBEHVYNZPYSL-RBUKOAKNSA-N 380.879 4.655 0 40 GJAB CCc1c(C)sc2nc(C)nc(SCC(=O)Nc3ccccc3F)c12 4888817 NTAXHJVCFXJIBQ-UHFFFAOYSA-N 375.494 4.740 0 40 GJAB O=C(c1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O 4937090 XYKPHAVVJFIKJB-UHFFFAOYSA-N 375.374 4.559 0 40 GJAB COc1ccc(CCNCc2cccc(OCc3ccccc3)c2)cc1OC 5073248 IYXULVYJPGMELR-UHFFFAOYSA-N 377.484 4.615 0 40 GJAB Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCN(c2ccccc2)CC1 5721563 AYMDCNPLVAWAEY-VWLOTQADSA-N 382.511 4.783 0 40 GJAB O=Cc1ccc(OCc2ccc3ccccc3c2)c(I)c1 5778364 PNIGKFLIQCCLBZ-UHFFFAOYSA-N 388.204 4.836 0 40 GJAB Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)c(C)c(C)c2C)n1C 5859289 UHWLLJZJNLYPQD-UHFFFAOYSA-N 379.529 4.999 0 40 GJAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)o2)c1 5903033 KCFBDKFNOCEFGI-ZIAGYGMSSA-N 385.464 4.542 0 40 GJAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@@H]2CCCc3ccccc32)n1 7624180 WMQPMEDTSAGOEF-HXUWFJFHSA-N 389.524 4.738 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2ccc(C)c(C)c2)cc1OC 7637758 WYRGJAIQQGZPEO-UHFFFAOYSA-N 378.266 4.726 0 40 GJAB CN(Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1)[C@@H]1CCCc2ccccc21 7674341 HPXYNNCYQVDCGY-QGZVFWFLSA-N 391.496 4.754 0 40 GJAB O=C(Nc1ccc(OC(F)F)cc1)c1nccnc1-c1nc2ccccc2s1 7921476 NDRYKGJNEOAEIV-UHFFFAOYSA-N 398.394 4.607 0 40 GJAB O=C(Oc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7929085 RZPOPDBYNPXMGX-HXUWFJFHSA-N 381.431 4.952 0 40 GJAB COc1ccc(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)cc1OC 7976840 QZMWWRPVKGQRGT-UHFFFAOYSA-N 377.868 4.807 0 40 GJAB CN1C(=O)Cc2cc(-c3csc(Cc4nc5ccccc5s4)n3)ccc21 8297450 UTACMVFRTWONOZ-UHFFFAOYSA-N 377.494 4.530 0 40 GJAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1C 8673492 QJUQNXWNEVNDNV-OAQYLSRUSA-N 387.907 4.543 0 40 GJAB CCN(Cc1ccncc1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 9321996 FDCTWPQXWQUWFU-QFIPXVFZSA-N 398.510 4.927 0 40 GJAB O=C(CSc1nnc(NCc2ccco2)s1)c1ccc2ccccc2c1 9476770 WZPCCCLIYRHAOQ-UHFFFAOYSA-N 381.482 4.871 0 40 GJAB Cc1c(Cl)cccc1Nc1nnc(SCC(=O)N2CCCCCC2)s1 9908948 WMXXCAOZEQYTBF-UHFFFAOYSA-N 396.969 4.738 0 40 GJAB COc1cccc([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2Cl)c1 10226116 YZVWJCWZUUXIOL-SFHVURJKSA-N 379.287 4.778 0 40 GJAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2cn3ccccc3n2)cc1 10321889 DXHVXOBQQGHLKH-UHFFFAOYSA-N 379.822 4.975 0 40 GJAB CC[C@@H](C)[C@H](C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1)c1ccccc1 12073336 FEDAQJVYSMDQQB-ZHRRBRCNSA-N 380.488 4.590 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc2c(c1)OCCO2 12407790 KZQPTQPBDUAMQV-UHFFFAOYSA-N 386.860 4.795 0 40 GJAB COc1ccc(-c2nnc([C@@H](C)Nc3ccc(N4CCCCC4)cc3)o2)cc1 12547438 HRPVVXRCGXYMQC-MRXNPFEDSA-N 378.476 4.909 0 40 GJAB Cc1ccccc1[C@@H](C)NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 12560033 RNGPUEASELHJKQ-OAHLLOKOSA-N 393.487 4.930 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)CCc3c[nH]c4ccccc34)cc2)cs1 12620945 VLSPGVDUPJEOPV-UHFFFAOYSA-N 389.524 4.891 0 40 GJAB CCOc1ccccc1[C@@H]1c2cc3c(cc2O[C@](C)(N2CCCC2)[C@@H]1C)OCO3 12860644 LPWYMVXRDVBDOS-VILGCMSXSA-N 395.499 4.786 0 40 GJAB CCc1ccc2c(CC(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)coc2c1 14802615 QFLTVYFUMZSMCO-UHFFFAOYSA-N 396.874 4.957 0 40 GJAB Cc1ccc([C@H](NC(=O)c2ccccc2Br)c2cccnc2)cc1C 15839763 WYBHNFZSOPWHQQ-FQEVSTJZSA-N 395.300 4.980 0 40 GJAB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 16411854 HMLMICCEZWRTGM-CXUHLZMHSA-N 384.863 4.910 0 40 GJAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(C)cc2C)c(Br)c1 20036182 BTXOCRKXQAGMER-OAHLLOKOSA-N 390.321 4.885 0 40 GJAB COc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1-c1ccc(CO)o1 20142044 PGYVOZVCOXWIEU-UHFFFAOYSA-N 395.455 4.735 0 40 GJAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)c1 20142244 OCAIJQPNDIRMMX-HNNXBMFYSA-N 395.455 4.877 0 40 GJAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(Cl)cc2)C4)cc1 20632590 AHWZVRWMNVXOFF-INIZCTEOSA-N 388.858 4.666 0 40 GJAB Cc1ccc2nc(C)cc(C(=O)O[C@@H](C)C(=O)Nc3c(C)cccc3C)c2c1 21604515 ADVVRPLMTZQWJT-KRWDZBQOSA-N 376.456 4.652 0 40 GJAB O=c1cc(CSc2nc3cc(Cl)ccc3o2)nc2sc3ccccc3n12 24716098 IGKHXHSRLDGAAM-UHFFFAOYSA-N 399.884 4.996 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccccc2)[nH]c1=S 25105071 XFKXFXWRKPORCE-CYBMUJFWSA-N 381.530 4.868 0 40 GJAB Cc1cc(C)n(-c2ccc(NC(=O)c3occc3COc3ccccc3)cc2)n1 27488549 NFGKEPSLFXEUPU-UHFFFAOYSA-N 387.439 4.913 0 40 GJAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc(F)c(Cl)cc1Cl 29287772 QJDHIUBKPWLOLL-UHFFFAOYSA-N 381.234 4.507 0 40 GJAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1ccccc1F 32910555 JYYRHAKHOXXOPA-FQEVSTJZSA-N 385.479 4.621 0 40 GJAB CC(=O)Nc1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc1 33039485 DFDHMKOZESRBIE-PXLXIMEGSA-N 396.446 4.681 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(Cl)cc2Cl)c1 33875832 JDBSTWJXUKTUBP-UHFFFAOYSA-N 383.300 4.657 0 40 GJAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)c(Cl)c2)ccc1O 36354725 NGUZLVXEAUEWGE-GFCCVEGCSA-N 387.798 4.503 0 40 GJAB O=C(Nc1ccccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 39766243 BXCNZNCZGHADMO-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB COC(=O)c1sc2nc(C)nc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2c1C 48277219 WBDFCIRTOPFTQG-WDEREUQCSA-N 387.427 4.628 0 40 GJAB Cc1cc(C)n(-c2nc3c(C(F)(F)F)cc(Br)cc3s2)n1 57327426 GDUOSWJTJFVFDM-UHFFFAOYSA-N 376.201 4.880 0 40 GJAB O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1Cc1ccco1 67259621 BQCNNKCJDSMZBI-UHFFFAOYSA-N 384.407 4.608 0 40 GJAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCC1=CCCCC1 71326345 MAEINHBWEGCUSJ-UHFFFAOYSA-N 376.913 4.864 0 40 GJAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cc(Cl)ccc1Cl 72228895 KPXDQZFKPFLYDJ-UHFFFAOYSA-N 375.259 4.697 0 40 GJAB COc1ccc2[nH]cc(C3=CCN([C@H](C)c4nnc(CC(C)C)o4)CC3)c2c1 95957532 PVEDVDJVBOHKCY-OAHLLOKOSA-N 380.492 4.608 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(-c2cc3ccccc3o2)cc1 100221600 ZPRFWGVOJIMMSJ-IBEPOWJWSA-N 381.431 4.657 0 40 GJAB CCSc1nc2n(n1)[C@@H](c1ccccc1OC)C1=C(O)CC(C)(C)CC1=N2 102680987 KOIWDMASKCUJEY-KRWDZBQOSA-N 384.505 4.706 0 40 GJAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccccc1F 219039749 WMGCDSMGDBPGSF-MRXNPFEDSA-N 383.488 4.796 0 40 GJAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(OC)c(C)c1 223339852 HHAGVIREKUTBFH-HSZRJFAPSA-N 394.559 4.792 0 40 GJAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 224222168 VIGWHVLWZWVBAM-SZHLLGMXSA-N 390.508 4.705 0 40 GJAB S=C(NCc1ccccn1)Nc1cccnc1Sc1ccc(Cl)cc1 225191276 PQWRHJYRJDXMMB-UHFFFAOYSA-N 386.933 4.768 0 40 GJAB Cc1nc(-c2cccc(NC(=O)COc3cccc4cccnc34)c2)cs1 226095953 FEIAIGSTUNDUNR-UHFFFAOYSA-N 375.453 4.684 0 40 GJAB CN1CCc2ncnc(Oc3ccc(-c4ccc(Br)cc4)cc3)c2C1 506956294 UYDYRLIIWJWBJI-UHFFFAOYSA-N 396.288 4.686 0 40 GJAB CCCCCn1cc(C(=O)N2CCC(C)(c3nc(C)no3)CC2)c2ccccc21 510805514 YBEXMAFPCPUZBK-UHFFFAOYSA-N 394.519 4.717 0 40 GJAB c1ccc(CN2CCOc3ccccc3CCCCC3(CCNCC3)C2)cc1 643565168 CQBBOTLCIVAKFM-UHFFFAOYSA-N 378.560 4.664 0 40 GJAB COc1ccc(-n2c(COc3cccc4ccccc34)nnc2SC)cc1 924683 XPCZTANRKGBXNT-UHFFFAOYSA-N 377.469 4.730 0 40 GJAB Cc1csc2nc(CSc3nc4ccccc4o3)c(Br)n12 1509750 AMEGAZZKWMTEOC-UHFFFAOYSA-N 380.292 4.900 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)cc1 1518275 XBZPMJCPZXAYQP-UHFFFAOYSA-N 395.303 4.895 0 40 GJAB CCCCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(C)cc2)cc1 2248002 SDXFZVXNXBEGCR-FQEVSTJZSA-N 391.558 4.610 0 40 GJAB Cc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c2ccccc2n1 2628484 ILXHWCQYUHIDKM-UHFFFAOYSA-N 397.482 4.780 0 40 GJAB S=C(Nc1ccccc1)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 3206830 UEXKZGYSCIMDOT-HTXNQAPBSA-N 376.525 4.890 0 40 GJAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(Cl)cc1 3216527 ISUNLDNRKASFRY-UHFFFAOYSA-N 379.843 4.726 0 40 GJAB O=C(CCC(=O)c1ccc(Cl)s1)NCc1cccc(C(F)(F)F)c1 3293136 JCVXVSPCQQNRRE-UHFFFAOYSA-N 375.799 4.700 0 40 GJAB CCN(CC)c1ccc(C(=O)Nc2ccc3c4c(cccc24)C(=O)N3CC)cc1 4134714 MOUDJEDNPWFXRL-UHFFFAOYSA-N 387.483 4.918 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccccc1Cl 4305445 FEQYLSRDZWDDOV-LJQANCHMSA-N 382.916 4.935 0 40 GJAB CCN(CC)CCOc1ccc2c(c1)Cc1cc(OCCN(CC)CC)ccc1-2 4350342 OGASKEFEDVPEBM-UHFFFAOYSA-N 396.575 4.699 0 40 GJAB O=C(CSc1ccccc1)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 4496658 BQWHGVFRMXFFAB-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB CCCCCCC1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)C1 4548579 GNGYZLLGMKRFLH-MRXNPFEDSA-N 376.806 4.763 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)CCCc2ccccc2)c1 4585466 OPDHRMYLNCRINP-UHFFFAOYSA-N 397.478 4.656 0 40 GJAB CCCOc1ccc(N2C[C@H](C(=O)Nc3c(CC)cccc3CC)CC2=O)cc1 4700030 JYVQFJWLOJOGBJ-LJQANCHMSA-N 394.515 4.592 0 40 GJAB O=Cc1cc(Br)cc(Br)c1OCc1ccccc1F 4739237 NZLRWBUEWVVGAF-UHFFFAOYSA-N 388.030 4.742 0 40 GJAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 4741073 SUYFVENBPUZLJP-UHFFFAOYSA-N 396.874 4.978 0 40 GJAB C[C@@H](OC(=O)c1ccc(COc2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 5039877 ZMSCAYGHVFLQPN-CQSZACIVSA-N 399.830 4.696 0 40 GJAB CNC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCC2 5055704 GDMPRLMENYCPAW-UHFFFAOYSA-N 390.917 4.717 0 40 GJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1Cl 5127310 KRJZSXLWYMFYMT-UHFFFAOYSA-N 382.287 4.692 0 40 GJAB Cc1ccc(-n2c(S[C@H]3CCCCC3=O)nc3ccccc3c2=O)c(C)c1 5991648 JAJMMUXVNGTASQ-FQEVSTJZSA-N 378.497 4.606 0 40 GJAB CCCCn1c(S[C@H](C)C(=O)c2ccc(C)cc2)nc2ccccc2c1=O 6034810 FQGBFYRJNBKJKM-MRXNPFEDSA-N 380.513 4.869 0 40 GJAB O=c1c2oc3ccccc3c2ncn1CCOc1c(Cl)cccc1Cl 6850614 KCIJNHGPVWRVLB-UHFFFAOYSA-N 375.211 4.529 0 40 GJAB C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 6882065 GROOLNBGOCXINV-GFCCVEGCSA-N 385.722 4.956 0 40 GJAB Cc1ccc(-c2nnc([C@H](C)N(C)CC(=O)Nc3c(C)cc(C)cc3C)o2)cc1 9052405 IZYORRJFMOTMIB-SFHVURJKSA-N 392.503 4.602 0 40 GJAB COc1ccc(CCNC(=S)c2ccccc2OCc2ccccc2)cc1 9188131 DIKAACWFDHSSEG-UHFFFAOYSA-N 377.509 4.782 0 40 GJAB Fc1cccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCCC3)n2)c1 10213477 UGFQFSDORLJJLL-UHFFFAOYSA-N 384.846 4.752 0 40 GJAB CCOc1cc(Nc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)nc(C)n1 12225844 LDZMBYIEOANPPH-UHFFFAOYSA-N 393.447 4.580 0 40 GJAB O=C(NCCCOC1CCCCC1)c1ccc(Cn2cnc3ccccc32)cc1 12559663 SWOUSVAYFMNIBT-UHFFFAOYSA-N 391.515 4.554 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2Br)cc1 12760675 XALMUXQLCQIAGN-YFPIXMDGSA-N 386.289 4.835 0 40 GJAB CC[C@H](CO)Nc1nc(-c2ccncc2)nc2scc(-c3ccc(C)cc3)c12 12812466 GCIYLBWLGFMZHL-QGZVFWFLSA-N 390.512 4.912 0 40 GJAB COc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc(Cl)c1OC 12875650 RJYXRNONRGTZBR-QGZVFWFLSA-N 380.271 4.892 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OC1(CCCC1)O2 14200308 NUQUMUIWTAJXHH-UHFFFAOYSA-N 393.361 4.764 0 40 GJAB O=C(/C=C/c1ccc2ccccc2n1)OCc1nc2ccccc2n1C(F)F 14902695 OIPPNZGSWCJTAB-VAWYXSNFSA-N 379.366 4.736 0 40 GJAB COc1cc([C@H]2CC(O)=Nc3c2sc(C(=O)O)c3-c2ccccc2)ccc1O 15082126 KJSJBKGQCBKOQO-CYBMUJFWSA-N 395.436 4.951 0 40 GJAB CCCCOCCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 17441716 MXWIERIKWOZCLZ-UHFFFAOYSA-N 394.924 4.590 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C3CCSCC3)cc2n1 19452352 SHGSXCQWAMEKKP-INIZCTEOSA-N 398.498 4.904 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2c(c1)nc(C(C)C)n2C 19561050 FGZKPSGSPXUMMQ-UHFFFAOYSA-N 391.500 4.776 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)N1CCc2nc(-c3cccc(F)c3)sc2C1 19719773 CAWPAMLDPFFKOK-UHFFFAOYSA-N 391.471 4.558 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1 20456866 MEFJKKZXQGBWPC-SFHVURJKSA-N 379.909 4.544 0 40 GJAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl 20612074 IOTWWPPCEDFISJ-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cnccc4o3)c2)cc1 20716994 KBASKRGTQYFCHM-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H](C)c1cc(C)c(C)cc1C 22540396 GSAFIYQQZMWLSF-QGZVFWFLSA-N 375.534 4.783 0 40 GJAB CN(Cc1ccccc1N1CCCCC1)C(=O)NCC1(c2ccccc2)CC1 22878639 MZCYAWHDKATSRB-UHFFFAOYSA-N 377.532 4.550 0 40 GJAB Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1C 22907788 USQIXBFBJQSVQH-QFIPXVFZSA-N 390.552 4.894 0 40 GJAB COc1ccc(-c2csc3c(=O)n(Cc4cc(C)ccc4C)cnc23)cc1 23126642 LOHGKJIHPKAGPU-UHFFFAOYSA-N 376.481 4.799 0 40 GJAB C[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1cccc(F)c1 24954056 DIPAUWSFILCATB-AWEZNQCLSA-N 376.431 4.818 0 40 GJAB Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)c2cnn(Cc3cccs3)c2n1 25617966 WHUNVFRXHOLEBD-INIZCTEOSA-N 390.512 4.683 0 40 GJAB Cc1ccc([C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2)cc1 30857340 CCLYYKRSFDWMFD-JOCHJYFZSA-N 379.525 4.988 0 40 GJAB CN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(O)=NC1=S 32667572 SYOBQKKXFWRMMM-XNTDXEJSSA-N 388.901 4.588 0 40 GJAB Cc1nc(COc2cccc(/C=C/C(=O)N[C@H](C)c3cccs3)c2)cs1 32879836 LNOUYVGRTZOFTR-MYSGNRETSA-N 384.526 4.983 0 40 GJAB COc1ccc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cn1 32882587 KZRFDHQDYLETGI-UHFFFAOYSA-N 386.373 4.706 0 40 GJAB Cc1nc2sc([C@@H](c3ccccc3Cl)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 36066087 DMOMWXGJLHUGAR-BFQNTYOBSA-N 390.940 4.526 0 40 GJAB O[C@H](CNCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 39979580 MZJJVHCSFDHRPY-HSZRJFAPSA-N 387.458 4.502 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 40052574 VFXZTUADJHKVPA-ZWCUEREDSA-N 397.563 4.746 0 40 GJAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCO[C@H](c2ccc(F)cc2)C1 40086072 DQVSASKKSQRENK-UGSOOPFHSA-N 375.394 4.705 0 40 GJAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 44946222 MWUFZFXPUATRLB-INIZCTEOSA-N 383.469 4.527 0 40 GJAB O=C(N1CCC(CSC2=NCCS2)CC1)C1(c2cccs2)CCCC1 77101469 LZDUZUFIIQVESY-UHFFFAOYSA-N 394.631 4.635 0 40 GJAB Cc1sc2nc(-c3ccccc3)nc(N[C@@H](C(N)=O)c3ccccc3)c2c1C 84065498 WVYNLUKCIVUYHM-GOSISDBHSA-N 388.496 4.614 0 40 GJAB O=C(CSc1nc2ccccc2n1-c1ccc(F)cc1)Nc1ccc(O)cc1 84600250 SFKRZIPUIODCDL-UHFFFAOYSA-N 393.443 4.601 0 40 GJAB O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N(Cc1ccsc1)C1CC1 97212394 GNFPZFAIEAOPIX-UHFFFAOYSA-N 393.390 4.622 0 40 GJAB Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1C 100519860 CVIGJCRAGCWXSN-DHNNRRLOSA-N 388.511 4.936 0 40 GJAB Cc1cccc([C@H]2CC3=Nc4ncnn4[C@H](c4cc(F)cc(F)c4)C3=C(O)C2)c1 102711853 ZVBHQDYEAMGLJX-LHSJRXKWSA-N 392.409 4.930 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 118924148 SPJJQKMRGHDHDW-HVQCDPFQSA-N 387.564 4.619 0 40 GJAB CCC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925183 PXAQXJHLKRPDJD-FSILYXOFSA-N 388.548 4.735 0 40 GJAB Cc1ccc(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 222758475 MAXRFESIKINOLT-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OCC 224571123 LNCYCLUTJONHPD-GOSISDBHSA-N 399.531 5.000 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225331541 ILYQSHPQWLZXBO-UHFFFAOYSA-N 388.298 4.737 0 40 GJAB COC(=O)c1cc(NC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1Cl 225660948 JKPRKCQEORSALF-UHFFFAOYSA-N 375.852 4.819 0 40 GJAB CCC1(CC)C[C@@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 256053218 QNWRRYRBZDHUSF-HSZRJFAPSA-N 379.456 4.559 0 40 GJAB Cc1cccc(Nc2cncc(C3CCN(Cc4ccc(C)c(C)c4)CC3)n2)n1 257292146 QKEUWDPGDAYMLI-UHFFFAOYSA-N 387.531 4.920 0 40 GJAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)C)c3)nc2c1 408619154 GHTZHIDHCIYAQO-UHFFFAOYSA-N 387.892 4.926 0 40 GJAB O=C(Nc1ccc2[nH]ccc2c1)[C@H]([C@H]1CC=CCC1)N1C(=O)C[C@@H]1c1ccccc1 575443591 VYDFSAOBHSIAFI-ANJVHQHFSA-N 399.494 4.805 0 40 GJAB CN1[C@H]2CC[C@H]1CC([C@@H](NCc1cnc(C3CC3)o1)c1ccc(Cl)cc1)C2 628265158 RJSRZRIRZGISCT-ZJOUEHCJSA-N 385.939 4.909 0 40 GJAB O=C(Cc1cc(F)c(F)cc1F)Nc1ccc(Oc2cccc(F)c2F)nc1 1530593740 HUEVACKOFUNBLU-UHFFFAOYSA-N 394.299 4.751 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccc(F)c(F)c2)N1c1ccc(F)cc1 1615155325 HFZNKOGHNSFXDM-PMACEKPBSA-N 388.433 4.766 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)cc1F 1615157333 MLMRDLSAQSFORF-HSZRJFAPSA-N 384.470 4.937 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CC[C@@H]2N1c1ccc(F)cc1 1615161198 WXMMJIMFNXGJOA-APWZRJJASA-N 398.547 4.896 0 40 GJAB COc1cccc(-c2csc(CNc3ccc(C)c(N4CCOC4=O)c3)n2)c1 1650657618 UBOIFDGHOJREAF-UHFFFAOYSA-N 395.484 4.696 0 40 GJAB CC(C)(C)c1cc(Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)nc(C(C)(C)C)n1 1651356799 JEMXCPBBQBRKHT-QGZVFWFLSA-N 396.535 4.933 0 40 GJAB O[C@@H]1CCN(c2cccc(F)c2)C[C@H]1[C@H](Nc1ccccc1)c1ccccc1 2037843723 FZXKTLYQEVWZIT-WXFUMESZSA-N 376.475 4.866 0 40 GJAB CC(C)c1ccc(-c2noc([C@@H]3CCCN(C(=O)c4cccs4)C3)n2)cc1 1360208 WQCRNLFGGJWRQS-QGZVFWFLSA-N 381.501 4.941 0 40 GJAB O=C(Nc1ncc(Br)cc1Br)c1cccc(Cl)c1 1421694 SSEBIMJNIFMKCL-UHFFFAOYSA-N 390.462 4.512 0 40 GJAB O=C(Nc1ccccc1F)c1ccc(OC(=S)Nc2ccc(F)cc2)cc1 1439229 AOWDGWZJSGPCBR-UHFFFAOYSA-N 384.407 4.993 0 40 GJAB Cc1ccc(NC(=S)NNC(=S)Nc2cccc(C(F)(F)F)c2)c(C)c1 2284887 QTTWHJWFOMMDFU-UHFFFAOYSA-N 398.479 4.510 0 40 GJAB Cc1cc(NC(=O)COc2ccc(Br)cc2)ccc1Br 2760624 MGJIWBIFKWPIBZ-UHFFFAOYSA-N 399.082 4.538 0 40 GJAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1 3218094 KIIJVKBCYQMERW-UHFFFAOYSA-N 379.843 4.731 0 40 GJAB O=C1OCC[C@@H]1Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 3295598 VTCRTVIKESIOBG-INIZCTEOSA-N 392.402 4.511 0 40 GJAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cc2ccccc2cc1OC 3322738 MXNNVXNBWSWOER-UHFFFAOYSA-N 391.467 4.769 0 40 GJAB COc1ccc(-c2nnc(NC(=O)c3ccc(Oc4ccccc4)cc3)o2)cc1 4276097 JGIQXUOSDMDZQU-UHFFFAOYSA-N 387.395 4.790 0 40 GJAB CCCCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 4746211 LAVGWXFHUINGMZ-UHFFFAOYSA-N 383.473 4.686 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4815072 GJZNARPKLDPRHB-MOPGFXCFSA-N 380.879 4.655 0 40 GJAB Cc1cc(C)cc(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCCC4)c1 5546998 JDUGYLJTVFZWQV-UHFFFAOYSA-N 391.467 4.696 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc(-c2ccccc2)n1C 5786772 GSCFOBIGTCHCFF-BPQIPLTHSA-N 387.549 4.578 0 40 GJAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3ccccc3)cc2)cc1 5934705 ZMPBPHFAVDMVHB-INIZCTEOSA-N 389.455 4.876 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(C)Cc3cnn(C)c3)c3ccccc3n2)cc1C 6215825 XMSLNGXAKORUKP-UHFFFAOYSA-N 384.483 4.524 0 40 GJAB CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(OC)cc2)c(C)s1 6217523 MYFSCOSLQHCGSF-UHFFFAOYSA-N 398.484 4.543 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)c3ccc(C(C)=O)cc3)sc2C)cc1 6355310 FYTGLFCVKIUOCM-UHFFFAOYSA-N 380.469 4.972 0 40 GJAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 6529760 XCNNMYLCGISFMM-IBGZPJMESA-N 381.476 4.736 0 40 GJAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1F 6836768 NREQUSVEHRFNOX-UHFFFAOYSA-N 392.459 4.505 0 40 GJAB Cn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1F 7235923 ZVEIYYWTQJSPMG-UHFFFAOYSA-N 392.459 4.505 0 40 GJAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(C)C)CC1=O 7543631 BXHCTAJXMXZCCR-QGZVFWFLSA-N 377.488 4.612 0 40 GJAB O=C(COc1ccccc1)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 8388974 YVYJHOOOKWFJIX-UHFFFAOYSA-N 375.453 4.732 0 40 GJAB COc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1Cl 9063297 ZHRPBBWXLRXOGR-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB CSc1ccc(CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 9547457 KFHDVCYSFCGTJU-UHFFFAOYSA-N 377.513 4.744 0 40 GJAB C[C@@H](SCc1cc(-c2ccc(Cl)cc2)no1)C(=O)NCc1cccs1 12853749 CLNJFIGLJLGXJN-GFCCVEGCSA-N 392.933 4.995 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3Cl)no2)c(OC)c1 12988225 PEEBNJBNDILOHU-SFHVURJKSA-N 399.878 4.744 0 40 GJAB CCCc1nc2ccc(Br)cc2c(=O)n1-c1ccc(Cl)cc1 13633732 AAYZTEUWVLNHND-UHFFFAOYSA-N 377.669 4.754 0 40 GJAB COc1ccc(Cl)cc1-c1nc2c3c4c(sc3ncn2n1)C[C@@H](C)CC4 15107776 LMCFJIKTINIGDG-JTQLQIEISA-N 384.892 4.793 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(C3CCCCC3)o2)c1C 18359224 IQJJCMLQPOHVFN-ZDUSSCGKSA-N 375.494 4.628 0 40 GJAB Cc1noc2nc(C3CCN(C(=O)C4CCCCC4)CC3)cc(C(F)F)c12 19564575 DRZFOCHHWGYBNU-UHFFFAOYSA-N 377.435 4.755 0 40 GJAB COCCCN(Cc1ccccn1)CC1(c2ccc(Cl)cc2Cl)CC1 19593267 TZVYVZWRUBZKCH-UHFFFAOYSA-N 379.331 4.959 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1OC 20495343 XVCQLVYEIORGLR-NSHDSACASA-N 385.407 4.842 0 40 GJAB Cc1ccccc1NC(=O)c1nnc2c(-c3ccccc3)c(C(C)C)nn2c1C 20797816 RMZXGOLKIBHAFO-UHFFFAOYSA-N 385.471 4.784 0 40 GJAB CCn1c(Sc2ncnc3sc4c(c23)CC[C@@H](C)C4)nnc1-c1ccco1 22061337 QPWYSFHBVKEYEK-LLVKDONJSA-N 397.529 4.839 0 40 GJAB COc1cccc(-n2ccnc2S[C@@H](C)C(=O)c2c[nH]c3ccccc23)c1 22714296 YLIBQTVTXXUFFR-AWEZNQCLSA-N 377.469 4.726 0 40 GJAB O=C(NCc1ccccc1Cl)c1ccc(COc2ccc(F)cc2F)o1 27983755 WACOITPZRGWEEB-UHFFFAOYSA-N 377.774 4.720 0 40 GJAB CSCn1nnc(-c2cccs2)c1C(=O)Nc1cccc(Cl)c1Cl 32611794 DNYWFZRNOMSBQJ-UHFFFAOYSA-N 399.328 4.886 0 40 GJAB COc1ccc2c(-c3ccccc3)cc(SCc3nnnn3C3CC3)nc2c1 32754373 IKWPHZNWYTYAPT-UHFFFAOYSA-N 389.484 4.524 0 40 GJAB CCn1c(S[C@@H](C)C(=O)N(C(C)C)C(C)C)nnc1-c1cccc(Cl)c1 32776116 DTGCICVNWMWVER-AWEZNQCLSA-N 394.972 4.744 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2C)c(Cl)c1 44899809 WMFPNICZSJOJNJ-QGZVFWFLSA-N 375.852 4.621 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 59488463 GTFOGTSWOZLHFC-JTQLQIEISA-N 383.662 4.638 0 40 GJAB CCn1c([C@@H]2CCCN2Cc2nc(-c3ccc(F)cc3)no2)nc2ccccc21 72314370 YQYIFZZGNBLYHB-IBGZPJMESA-N 391.450 4.582 0 40 GJAB O=C(Cc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349013 PSXLBOYBLZJFPH-OAQYLSRUSA-N 388.486 4.760 0 40 GJAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72357615 WTOHCDZTGIWIOB-QFIPXVFZSA-N 390.458 4.797 0 40 GJAB CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)C(C)(C)C 72370428 MUBLNAAQGBWVKM-HNNXBMFYSA-N 386.561 4.573 0 40 GJAB COc1ncccc1CSc1nnc(-c2cccs2)n1Cc1ccccc1 83915371 DTSYQTJXOHEHIO-UHFFFAOYSA-N 394.525 4.751 0 40 GJAB COCc1cccc(OCC2(COc3ccc(-c4nnco4)cc3)CCC2)c1 95448429 VGFPCZONVPGINU-UHFFFAOYSA-N 380.444 4.511 0 40 GJAB CC(=O)c1csc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c1 95951122 DNXKRZCJVDYCHM-UHFFFAOYSA-N 399.859 4.504 0 40 GJAB COc1ccccc1CS[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C 95960420 NTNDYTVQFZWFPJ-QGZVFWFLSA-N 395.528 4.758 0 40 GJAB CC(C)c1nc(-c2cc(C(=O)NCCc3ccccn3)c3ccccn23)cs1 96154838 JHAYCFOOCWKBSX-UHFFFAOYSA-N 390.512 4.554 0 40 GJAB O=C(NCc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 98073320 AWHFPWZADDSXBI-UHFFFAOYSA-N 380.285 4.897 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\Nc3cccc(O)c3)c3ccccc3C2=O)c(C)c1 105015616 CUIZFLUCMFJUPJ-STZFKDTASA-N 384.435 4.649 0 40 GJAB CCCc1nc(S/C(=C\c2ccccc2OCc2ccccc2)C(=O)O)n[nH]1 213376143 BJFYVQTUYKPBTM-AQTBWJFISA-N 395.484 4.554 0 40 GJAB C[Si](C)(C)c1c(Br)cc(Br)cc1Br 219787149 OUCZDCHOCDLJAM-UHFFFAOYSA-N 386.985 4.519 0 40 GJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 222972613 NHGJUWNNZRBSGZ-RBUKOAKNSA-N 385.504 4.746 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 224066086 XZHKDNMDFDUDFO-LJQANCHMSA-N 395.543 4.869 0 40 GJAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1C 225083112 BRRDFWUHKOFSKY-CEZZIEKDSA-N 388.467 4.545 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(Oc2ccccc2)nn1 225188903 AOYLLHJXCCWJLK-INIZCTEOSA-N 378.501 4.577 0 40 GJAB O=C(O)/C=C/c1cc(Cl)c(Cl)c(NC(=S)NCc2ccccc2)c1 226345851 LUSCACLMMNKPJG-VOTSOKGWSA-N 381.284 4.578 0 40 GJAB COc1cc(N)c([C@@H]2N[C@@H](C)Cc3c2[nH]c2cc(Cl)c(F)cc32)cc1Cl 261508973 YSJVBYYUXMVASZ-RLBGWGEZSA-N 394.277 4.828 0 40 GJAB COCCN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O 408535858 XNYPUHNCJUWRFJ-AQTBWJFISA-N 385.510 4.829 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3c4ccccc4C[C@H]32)cc1 409002260 ZLZNNUBMNYOMPE-FSSWDIPSSA-N 399.446 4.642 0 40 GJAB CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(OCC)c1 409007297 PAZMINNXAPRRAN-ZHZULCJRSA-N 397.496 4.763 0 40 GJAB O=C(C[C@H]1C(=O)Nc2ccccc21)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 681696133 QZKQQYXDKLSFON-FYYLOGMGSA-N 382.463 4.583 0 40 GJAB COc1cc(CNC(=O)Nc2cc(OC)c3ccccc3c2)c2ccccc2n1 1673208003 ZCDYEEBHWSWKFY-UHFFFAOYSA-N 387.439 4.727 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 681060 AMDPGPLUTGPHRK-UHFFFAOYSA-N 387.936 4.766 0 40 GJAB CCOc1cccc2cc(-c3nnc(Nc4ccc(F)cc4)s3)c(=O)oc12 856298 DMQFNJAPYKEZCG-UHFFFAOYSA-N 383.404 4.593 0 40 GJAB CC(=O)Nc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1cccs1 858477 DIEDYOUWUHYCCB-UHFFFAOYSA-N 377.878 4.736 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1C 882861 RBDZQSPOXUPMCX-UHFFFAOYSA-N 392.528 4.584 0 40 GJAB Cc1cc(C)n2nc(-c3ccc(Br)cc3)c(Br)c2n1 904426 UZPNDHMPVZPHEO-UHFFFAOYSA-N 381.071 4.538 0 40 GJAB Cc1sc2ncn([C@@H](C)C(=O)Nc3ccccc3)c(=O)c2c1-c1ccccc1 937703 BBUDWSZLUVCBID-AWEZNQCLSA-N 389.480 4.633 0 40 GJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(Cc1ccco1)C3=O 2419826 XKGNMMZZSVTLQJ-NRFANRHFSA-N 385.419 4.748 0 40 GJAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3289585 PCTRVVJVLTUATE-UHFFFAOYSA-N 395.286 4.635 0 40 GJAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccccc2O)c2ccccc21 3329921 WGMYCVGCGPRXST-UHFFFAOYSA-N 385.419 4.591 0 40 GJAB COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2C(C)C)CC1=O 4033584 HWVZTISHZIJZLF-AWEZNQCLSA-N 383.879 4.800 0 40 GJAB CCCNC(=S)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 4216101 ORHKXHBSPIBFRN-UHFFFAOYSA-N 385.577 4.564 0 40 GJAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1cccc(Cl)c1 4986868 UVAXTIYNBAMGML-JTQLQIEISA-N 377.828 4.648 0 40 GJAB O=c1c2cccnc2nc(SCc2ccccc2Cl)n1Cc1ccccc1 5054964 UYLAVOLLUGAPEX-UHFFFAOYSA-N 393.899 4.786 0 40 GJAB O=C(CCc1nc2ccccc2[nH]1)NCC[C@H](c1ccc(F)cc1)c1ccco1 5209740 ZSHYHEXRTPVDNN-GOSISDBHSA-N 391.446 4.566 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 5214434 PLOPRQVQENUNHK-UHFFFAOYSA-N 392.842 4.782 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)COCc1nc2ccccc2s1 5404717 NWEKFHUKBHGPGB-UHFFFAOYSA-N 384.501 4.758 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC 6152929 VRIRJNFBJPJPDF-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB CCc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCCC4)[nH]2)cc1 6214711 MMODZVHJOPWNNX-UHFFFAOYSA-N 377.513 4.888 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3ccccc3)cc12 6337328 JNQQZHFFQJFWCN-UHFFFAOYSA-N 379.460 4.524 0 40 GJAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 6374668 XTFLPYMYSDJHRH-LLVKDONJSA-N 392.839 4.977 0 40 GJAB COc1ccc(C(C)=O)cc1CN1CCC(c2nc3ccccc3s2)CC1 6580177 OMXDPBVONHVDPD-UHFFFAOYSA-N 380.513 4.887 0 40 GJAB CCn1c(SCC(=O)Nc2ccc3nc(C)sc3c2)nc2ccccc21 6651365 VYJIYMSYQNSXTA-UHFFFAOYSA-N 382.514 4.705 0 40 GJAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc(Cl)s3)cs2)cc1 6654146 JTOZGMCFRLEIEV-UHFFFAOYSA-N 377.874 4.873 0 40 GJAB COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1 6732689 QQBTYUAZGZEYDN-UHFFFAOYSA-N 384.435 4.520 0 40 GJAB N#C/C(=C/c1cccn1-c1ccc(O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 6970150 IPFQJSKNLPZTOM-KAMYIIQDSA-N 397.356 4.747 0 40 GJAB Cn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1C1CC1 7235204 XHGDYFLNBKTIMH-FQEVSTJZSA-N 388.496 4.890 0 40 GJAB COc1cccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2Cl)c1 7346590 BYENDNMRMOCPBA-UHFFFAOYSA-N 395.311 4.747 0 40 GJAB O=C(CCCc1cccs1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7407310 UKQFUCVVEUHKDQ-UHFFFAOYSA-N 380.517 4.694 0 40 GJAB Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)N1CCC(C)CC1 8772085 KOCOTGQEAGZLGI-UHFFFAOYSA-N 392.912 4.621 0 40 GJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccs3)cc21 8959963 OTVZXNOLTQIDCW-UHFFFAOYSA-N 386.517 4.798 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(F)cc2)CC1 9063569 IPMILGPCMHWXGV-UHFFFAOYSA-N 380.385 4.695 0 40 GJAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)Cc2cccc(Cl)c2)CC1 12132125 VFNCHGVUMLNMIX-UHFFFAOYSA-N 398.915 4.614 0 40 GJAB FC(F)(F)c1cc(-c2ccco2)nc(SCc2nc3ccccc3[nH]2)n1 12139337 ZWHHTFRTILOTLT-UHFFFAOYSA-N 376.363 4.924 0 40 GJAB CCOc1cc(CN2CCC(c3cc4ncccc4cn3)CC2)c(C)cc1OC 12222183 WZDQOIMTVOIALP-UHFFFAOYSA-N 391.515 4.725 0 40 GJAB CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(N(C)C)cc1)CC3=O 12322753 BTSCYJRFASERJW-LJQANCHMSA-N 391.467 4.826 0 40 GJAB COc1ccc(CN(C)C(=O)c2ccc(-c3ccc(F)cc3)s2)c(OC)c1 12568342 OGYSCUBONQDYDF-UHFFFAOYSA-N 385.460 4.844 0 40 GJAB Cc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)Nc1cccc(Cl)c1 13164439 LBUGPCOEYOIXQF-UHFFFAOYSA-N 392.908 4.578 0 40 GJAB CCOCCCNc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 13207028 ZWEJLIYBLGQAKF-UHFFFAOYSA-N 398.507 4.584 0 40 GJAB S=c1n(CN2CCC(c3nc4ccccc4o3)CC2)nc(C2CC2)n1C1CC1 14234454 VRNFVOHBSINGKB-UHFFFAOYSA-N 395.532 4.605 0 40 GJAB COc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccc(C)cc4C)c3ncn2n1 15842325 USGZNMLJNSBNTJ-UHFFFAOYSA-N 397.482 4.977 0 40 GJAB O=C(NCCOc1ccc2ccccc2c1)c1cc(F)ccc1Br 16142367 SDRKCDZQXSKJEG-UHFFFAOYSA-N 388.236 4.550 0 40 GJAB Cc1ccc(-n2ncc3c(NCCCc4ccccc4)ncnc32)cc1Cl 17120888 QIBDWTIBXUTERW-UHFFFAOYSA-N 377.879 4.822 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc2ccccc12 20460102 WDZUBXXXKSRKCU-OAQYLSRUSA-N 390.483 4.776 0 40 GJAB Cc1nn(CC(=O)O)c2nc(-c3ccc(C(C)(C)C)cc3)cc(C(F)(F)F)c12 20615542 QXGNAGQDMSUOAR-UHFFFAOYSA-N 391.393 4.808 0 40 GJAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC(c4nc5ccccc5o4)CC3)c2c1 20724072 HDPBPKOPJXRPBJ-NRFANRHFSA-N 389.455 4.623 0 40 GJAB O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)Nc1ccccc1F 21787667 OBOMHPRKJANLLF-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB Cc1nc2cc(NC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)ccc2o1 22191274 RQSKOPRSWQWGGY-UHFFFAOYSA-N 384.395 4.834 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccccc3Cl)n2)cc1 22458155 GXRIMBQNZCWKIT-UHFFFAOYSA-N 383.879 4.762 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)c(C)c1 22510099 SWOFLQQLJRZESC-SFHVURJKSA-N 375.852 4.621 0 40 GJAB Fc1ccc(-c2nnc(CN3CCC[C@H]3c3nc4ccccc4s3)o2)cc1 23409324 QHSRQQPZKOAHGR-INIZCTEOSA-N 380.448 4.823 0 40 GJAB Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)cnn1-c1ccc(Br)cc1 24762745 MNKKXDHNDLGYHS-ZDUSSCGKSA-N 396.288 4.535 0 40 GJAB COc1ccc(-c2nnc(NC(=O)CCc3ccc(-c4ccccc4)o3)o2)cc1 33027671 YRQZUDFDOPVYOX-UHFFFAOYSA-N 389.411 4.577 0 40 GJAB COCc1nn2c(-c3ccc(C)cc3)ccnc2c1-c1ccc(OC)c(OC)c1 35323921 WAIBZTVKFAWSST-UHFFFAOYSA-N 389.455 4.535 0 40 GJAB COc1ccccc1-c1cc(C(F)(F)F)c2c(=O)[nH]c(=S)n(C(C)C)c2n1 36617066 PBZHKDLGVQIAJQ-UHFFFAOYSA-N 395.406 4.729 0 40 GJAB O=C(NCCSCc1ccccc1)c1ccc(CN2CCCCCC2)cc1 38837113 KTLKSTLHZDRRFC-UHFFFAOYSA-N 382.573 4.726 0 40 GJAB O=C(CCNC(=O)c1ccc(F)cc1Cl)Oc1cccc(Cl)c1Cl 40128606 XOPSIQPKRCVINL-UHFFFAOYSA-N 390.625 4.511 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)Nc2cccc3cccnc23)cc1OC 43529347 ISCZWEMVHMQGQU-GOSISDBHSA-N 377.444 4.621 0 40 GJAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2cccs2)CN1c1cccc2ccccc12 49757641 LSLCSXBTCOGEEP-YLJYHZDGSA-N 390.508 4.618 0 40 GJAB Cc1ccccc1N1CCN(C(=O)c2cc(-c3cccc4ccccc34)[nH]n2)CC1 51315830 GRTUFWVLAQZLBC-UHFFFAOYSA-N 396.494 4.501 0 40 GJAB CC(=O)c1c(F)cccc1NCc1cn(-c2ccccc2)nc1-c1ccncc1 57858163 GNAYOQLLMPRIIX-UHFFFAOYSA-N 386.430 4.888 0 40 GJAB CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1 58005329 LXULNQRONHQPPJ-UHFFFAOYSA-N 394.346 4.657 0 40 GJAB CN(C(=O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O)C1CCCCC1 58005887 OEFSUBQMFFTYNX-UHFFFAOYSA-N 385.504 4.525 0 40 GJAB CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2)c1 59118462 HUEHGHMTYOYUKG-ZDUSSCGKSA-N 378.394 4.620 0 40 GJAB COc1ccccc1[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)OC 96384730 AJJKWZQYBZHTKP-FQEVSTJZSA-N 387.907 4.664 0 40 GJAB COc1ccc(-n2ccc(C(=O)N(c3ccc(C)cn3)C3CCCCC3)n2)cc1 108202360 LXHSCLXFLYJBIB-UHFFFAOYSA-N 390.487 4.564 0 40 GJAB O=C1NC(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)S1 140994581 SGEYUYDNMJJICM-VGOFMYFVSA-N 394.235 4.537 0 40 GJAB CCSc1ccccc1NC(=O)COc1ccc(Br)c(C)c1 216312685 RAKFNDLPNYFXBM-UHFFFAOYSA-N 380.307 4.887 0 40 GJAB CCOc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1OCC 225059527 LKPKAIZCVGMMKX-UHFFFAOYSA-N 393.936 4.801 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C 225166873 HYOKEBNWEFSTBC-HNNXBMFYSA-N 384.501 4.667 0 40 GJAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 225538414 ZJSQOTYHZYKVSY-GOSISDBHSA-N 395.572 4.977 0 40 GJAB O=C(NCc1ccc(Oc2nccs2)cc1)c1ccccc1C(F)(F)F 225647177 SMOUTJRZNCQYRK-UHFFFAOYSA-N 378.375 4.884 0 40 GJAB Cc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)c(C)c1 225783001 HNKGSFALOHGEIF-UHFFFAOYSA-N 388.290 4.837 0 40 GJAB Cc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1NC(=O)c1ccccc1 408605374 JYCMVGAOQJGYTC-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(NC(=S)Nc1cccc(F)c1)c1ccc(OCc2ccccc2)cc1 408623133 QXZQUZSESAQKHC-UHFFFAOYSA-N 380.444 4.532 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)cc1 408697515 JZXLOJZYWZLOEF-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB CCOc1ccccc1C(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 408714020 GQHATDMNVUMSCW-UHFFFAOYSA-N 393.487 4.705 0 40 GJAB O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@H]1CC[C@@H]1c1ccc(F)cc1 528365851 GNNXVWQLRRWILM-CVEARBPZSA-N 387.361 4.946 0 40 GJAB Cc1ccc(C)c(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c1 1615157357 MOEUNWPRAKPVPX-GCJKJVERSA-N 380.507 4.962 0 40 GJAB CCOC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CCC2 944312 IIYDCMGZOMFJGQ-UHFFFAOYSA-N 379.481 4.748 0 40 GJAB Cc1ccccc1CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 2394982 KUNHIRUIZQOGCP-HNNXBMFYSA-N 377.510 4.892 0 40 GJAB O=S1(=O)c2ccccc2N[C@H](c2cccc(Cl)c2)N1Cc1ccccc1 2502993 HJOFBPVRXJCUKD-FQEVSTJZSA-N 384.888 4.655 0 40 GJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)NCCc1ccccc1 2655606 ONPITHOBXGLCLV-BUHFOSPRSA-N 399.519 4.973 0 40 GJAB c1ccc(-c2nnn3c2nc(N2CCc4ccccc4C2)c2ccccc23)cc1 2688945 COVYCLPVAGNNJQ-UHFFFAOYSA-N 377.451 4.507 0 40 GJAB CCOC(=O)Cn1nc(-c2ccc(F)cc2)c(Cl)c1-c1ccc(F)cc1 2733360 MNDIMTUKYPSRKT-UHFFFAOYSA-N 376.790 4.712 0 40 GJAB CCOC(=O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(Cl)cc1 4003525 CIZVRWOZIDFZTA-UHFFFAOYSA-N 385.847 4.737 0 40 GJAB CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 4597493 WHTHBIIAVJGNSA-HXUWFJFHSA-N 394.906 4.847 0 40 GJAB Cc1c(/C=C/c2nc3ccccc3c(=O)n2-c2ccccn2)c2ccccc2n1C 4952741 YBWGSGVODZIXRG-CCEZHUSRSA-N 392.462 4.751 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C 5060035 SBFDSAWXXZJANB-PEBXRYMYSA-N 392.528 4.811 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)c1 5083719 IDIWDHMISKMDEH-UHFFFAOYSA-N 393.468 4.641 0 40 GJAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc(-c2ccccc2)cc1 5477985 URRXOTBUZRATHC-ZOGILVBSSA-N 380.491 4.991 0 40 GJAB CC(C)CC(=O)NC1CCC(CC2CCC(NC(=O)CC(C)C)CC2)CC1 5632792 OOBRKHSHVZJILN-UHFFFAOYSA-N 378.601 4.819 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(OCc2ccccc2)cc1 6315738 PGPFYCYMLAJCBX-UHFFFAOYSA-N 389.480 4.873 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1OC 6886827 RGGJHKAMMURHQI-UHFFFAOYSA-N 383.366 4.520 0 40 GJAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2cccc(C)c2)cc1 7051280 WWHIWRXGLADOPT-UHFFFAOYSA-N 396.468 4.547 0 40 GJAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(N2CCCC2)cc1 7360296 IBNAOOBBLVCPNB-UHFFFAOYSA-N 395.528 4.582 0 40 GJAB COc1ccc(Nc2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)cc1 7902559 IHOSCKZLBKEZMB-UHFFFAOYSA-N 399.545 4.991 0 40 GJAB CC(=O)c1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 8325599 HXDALNWXYQNSDN-OAQYLSRUSA-N 397.521 4.565 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 10366732 WNXHAZUXCXBCKH-ZHRRBRCNSA-N 398.503 4.614 0 40 GJAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1OC(F)F 12558908 PCIFFHOGNFAKGL-OAHLLOKOSA-N 389.446 4.717 0 40 GJAB Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c(Cl)c1 12651286 LHWHJUJIURWCRY-UHFFFAOYSA-N 380.810 4.774 0 40 GJAB Clc1ccc(OCc2nc(CN3CCc4sccc4C3)cs2)cc1 12753819 VDPQFNQQJPWDOT-UHFFFAOYSA-N 376.934 4.995 0 40 GJAB COc1ccc(OC)c(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)c1 12767057 IFDFBSFMDOKATI-UHFFFAOYSA-N 393.867 4.653 0 40 GJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCC12CC3CC(CC(C3)C1)C2 12943138 PQMCOLUETSSDET-UHFFFAOYSA-N 399.922 4.655 0 40 GJAB COc1c(Br)cc(F)cc1NC(=O)CCc1c[nH]c2ccccc12 12973294 OOZYSKBQBDMJKE-UHFFFAOYSA-N 391.240 4.649 0 40 GJAB Brc1cccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1 13692165 TUXQWGWCXZFMSC-UHFFFAOYSA-N 396.273 4.764 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 14002904 VFRINEJFEGHHKR-NRFANRHFSA-N 394.515 4.807 0 40 GJAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)c(O)c1 14809453 RPNDBYMHUGBQGY-UHFFFAOYSA-N 379.435 4.547 0 40 GJAB Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccccc3)C2=O)cc1 15413164 KXSGABQNATYWOT-JOCHJYFZSA-N 390.870 4.770 0 40 GJAB CCOc1ccc(-n2c3c(c(SCc4cccc(C)c4)nc2=O)CCC3)cc1 15840514 VQYOUKSBRWEUJZ-UHFFFAOYSA-N 392.524 4.721 0 40 GJAB Cc1cc(C)c(C)c(SCC(=O)N2CCN(c3ccccc3F)CC2)c1C 19180844 MKMQYEIJYFKHGC-UHFFFAOYSA-N 386.536 4.500 0 40 GJAB Fc1ccccc1Cc1nnc2sc(Cc3ccc(Cl)cc3Cl)nn12 19910006 FRGFPVDVCCFZGF-UHFFFAOYSA-N 393.274 4.813 0 40 GJAB O=C(c1csc(Nc2ccccc2)n1)N1CCN(c2ccccc2Cl)CC1 23136744 BQLARSZEOIPFOJ-UHFFFAOYSA-N 398.919 4.503 0 40 GJAB Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 27990442 NTINUEMIZMXSGE-SFHVURJKSA-N 394.540 4.862 0 40 GJAB CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)c1 32610040 GVFFSUDFQBCEBU-UHFFFAOYSA-N 386.814 4.571 0 40 GJAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 32610174 NEGVQQGUZMIGKZ-MSOLQXFVSA-N 397.425 4.557 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc1 32622211 HTTZKRAIEQTCAV-UHFFFAOYSA-N 399.450 4.984 0 40 GJAB COc1ccc(C(=O)CCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1OC 32731189 PJOXDNNJNSWPMK-UHFFFAOYSA-N 389.451 4.972 0 40 GJAB C/C=C/c1cc(C(=O)NCCCc2nc3ccccc3s2)cc(OC)c1OC 32843517 JMSXVPFYHDFARQ-XBXARRHUSA-N 396.512 4.709 0 40 GJAB COc1ccc(Cl)cc1NC(=O)N(C)c1ccc(Oc2ccc(C)nn2)cc1 38670841 QTMFPICDRKUAQW-UHFFFAOYSA-N 398.850 4.908 0 40 GJAB COc1ccc(OCc2cc(C(=O)Nc3ccc(N(C)C)cc3C)c(C)o2)cc1 40111668 LWYOWUQDSDGQPL-UHFFFAOYSA-N 394.471 4.802 0 40 GJAB O=C(N[C@@H](Cn1ccnc1)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 40146306 WABAJQXSFGKIMB-KRWDZBQOSA-N 393.796 4.727 0 40 GJAB COc1cc(C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc(OC)c1OC 44781811 UJFREDBXVMYYGO-UHFFFAOYSA-N 376.412 4.599 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875346 FBCBABDFTLUMLK-QHCPKHFHSA-N 394.559 4.763 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(-c2ccccc2Cl)on1 47442573 NXWZPXQDECLNFN-NRFANRHFSA-N 389.842 4.909 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)s1)c1ccco1 49764858 ZROCLVUYEVJNGP-MRXNPFEDSA-N 395.484 4.746 0 40 GJAB CCOC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1 62715740 RWKCLBWYRRRNER-YRNVUSSQSA-N 391.261 4.613 0 40 GJAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1 67292748 UHXGVCOVZGTXMY-FGGSVNHKSA-N 396.874 4.536 0 40 GJAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 71806831 RMRWJDBWBQNWAF-ZDUSSCGKSA-N 394.496 4.700 0 40 GJAB COc1ccc2cc(C(=O)N3CCC[C@@H](c4nc(C(C)C)cs4)C3)[nH]c2c1 72297217 UQCZWYOOEBUDOZ-OAHLLOKOSA-N 383.517 4.776 0 40 GJAB Clc1ccccc1CCNc1ncc(-c2cnccn2)c(-c2ccco2)n1 72338698 JVWQGLVSMMQEHB-UHFFFAOYSA-N 377.835 4.502 0 40 GJAB CNc1ncccc1CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72358221 GMWHFZKWYVERJX-QFIPXVFZSA-N 376.479 4.585 0 40 GJAB Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3CCO)c3ccccc3n2C)cc1 85430428 BLRJHFJWJRSXSJ-VWLOTQADSA-N 396.490 4.691 0 40 GJAB C[C@@]12CN(Cc3ccccc3)C[C@](C)(CN(C(=O)c3c[nH]c4ccccc34)C1)C2 101620327 XFBIEFQOOVNSQE-JWQCQUIFSA-N 387.527 4.542 0 40 GJAB O=C(O)C1=C[C@@H](c2cccc(Oc3ccccc3)c2)n2c(nc3ccccc32)N1 102243839 ZVGYZYVAYXRBAT-NRFANRHFSA-N 383.407 4.812 0 40 GJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)S1 222624581 ZRHRZJNQTBBKAQ-XMCHAPAWSA-N 378.476 4.601 0 40 GJAB CCOC(=O)c1cc(NC(=O)COc2ccccc2C(C)(C)C)ccc1Cl 222800148 CBYKHPWTIJHJSV-UHFFFAOYSA-N 389.879 4.832 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(OC)c(Cl)cc1OC 222960909 KUJQGLHFNMYHOI-INIZCTEOSA-N 377.868 4.770 0 40 GJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(OC)c(OC)c1 223076489 NOKRHJAFMSLILG-IIBYNOLFSA-N 397.515 4.617 0 40 GJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225688815 ADCBJVWJXQDTNH-CVDCTZTESA-N 390.568 4.720 0 40 GJAB COc1ccccc1NC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 225766622 SSAIIYNEKZZNER-MRXNPFEDSA-N 389.455 4.830 0 40 GJAB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NC2CCCCCC2)n1 226011324 UMOHVEPNNVPLOA-ZDUSSCGKSA-N 381.977 4.518 0 40 GJAB CC1CCN(c2ccc(N)cc2NC(=O)COc2ccc(C(C)C)cc2)CC1 226253139 CISUUESODPDEEK-UHFFFAOYSA-N 381.520 4.646 0 40 GJAB CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 408627935 OMZYRPLONKNPQB-UHFFFAOYSA-N 386.908 4.742 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)cc1C 409156393 NPZQFRNRKLCMJC-IGHDPAQPSA-N 392.480 4.535 0 40 GJAB C[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)[C@@H]1COc2ccccc21 535103363 CJVUOTRLUNZEKQ-DJJJIMSYSA-N 376.431 4.546 0 40 GJAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc(O)cc1 955741 AGFGSSCWBKHSCI-UHFFFAOYSA-N 376.334 4.880 0 40 GJAB c1ccc(CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)nc1 1339585 TYTODYAZBYXFPQ-UHFFFAOYSA-N 393.541 4.783 0 40 GJAB CCCCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c1ccccc1 2722902 LRESIPMIMHBKDO-UHFFFAOYSA-N 391.496 4.665 0 40 GJAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3024369 XOPOHIBJXSDISM-LLVKDONJSA-N 378.822 4.630 0 40 GJAB Cc1cc(C)nc(-n2nc(C)c3c(C(F)(F)F)cc(-c4ccccc4)nc32)n1 3197659 WIVZETIVIPNSBP-UHFFFAOYSA-N 383.377 4.822 0 40 GJAB CCSc1nnc(SCc2cc(=O)oc3cc4c(cc23)CCC4)s1 3546499 JUYDHXGPEZXCES-UHFFFAOYSA-N 376.528 4.538 0 40 GJAB O=S(=O)(Nc1ccc(Oc2cccc3cccnc23)cc1)c1ccccc1 3991853 GNHCPGPHNYEXFI-UHFFFAOYSA-N 376.437 4.828 0 40 GJAB C[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C(N)=O)C1 4174165 RKBFTLCWJNIYAL-LURJTMIESA-N 389.329 4.592 0 40 GJAB CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccccc2)cs1 4188629 NEISUCRSZXBSDL-UHFFFAOYSA-N 398.484 4.503 0 40 GJAB CCc1sc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4=C(C)C)[C@@H]3C2=O)nc1-c1ccccc1 4652204 SJECLOIEXPEKND-QXGSTGNESA-N 392.524 4.854 0 40 GJAB CCCCC(=O)Nc1c([C@@H](O)c2ccccc2)sc2nc(C)cc(COC)c12 4709898 WGZGYNGPTVQVAH-FQEVSTJZSA-N 398.528 4.962 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 4816610 VHHFHYVYKYGQFC-RTBURBONSA-N 398.869 4.794 0 40 GJAB CC(C)(C)c1nc(SCC(=O)c2ccc3c(c2)OCCO3)c2ccccc2n1 4936294 KGOJFUOCMWMWIG-UHFFFAOYSA-N 394.496 4.674 0 40 GJAB CC(C)c1ccc(-c2nc(C(=O)NCCCO)cc3c2[nH]c2ccccc23)cc1 5825716 XMVLJABXNKRUMB-UHFFFAOYSA-N 387.483 4.619 0 40 GJAB biogenic Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(Cl)c3Cl)n2)cc1 5868580 FKNMPINEPRYDDW-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB CC(C)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 6141235 MTVUMXOZXLOHOZ-UHFFFAOYSA-N 393.306 4.548 0 40 GJAB COc1ccc(OCC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 6218346 MOBWASDCUOQRKY-UHFFFAOYSA-N 396.424 4.689 0 40 GJAB Cc1cnc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)s1 6786087 JKWXGMSLHLSJLN-UHFFFAOYSA-N 377.878 4.671 0 40 GJAB O=C(CSc1ccccc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 7361547 GQKKOMLGLFRSCM-CQSZACIVSA-N 386.517 4.934 0 40 GJAB CCOc1ccc2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 7738367 SNMFKEDXOGQYHY-UHFFFAOYSA-N 386.864 4.957 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2cccc(OC)c2)cc1 7778029 FBXGIAWPJYLSAT-BUHFOSPRSA-N 386.495 4.895 0 40 GJAB CCN(CC)Cc1ccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 7828450 HBEDWQDRXMWFEA-UHFFFAOYSA-N 379.331 4.694 0 40 GJAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)c2cccs2)cc1 7830456 RQUPXDHDQWHNCS-CYBMUJFWSA-N 382.510 4.821 0 40 GJAB COc1ccc(-c2nnc(SCC(=O)C(C)(C)C)n2-c2ccccc2)cc1 8089418 KKOBSYUYJRJQCB-UHFFFAOYSA-N 381.501 4.650 0 40 GJAB CCN1C(=O)c2cc(NC(=O)c3c(F)cccc3F)ccc2Oc2ccccc21 9134573 GWMAKTRHTGBYAK-UHFFFAOYSA-N 394.377 4.990 0 40 GJAB Cc1ccc(CSCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 10369465 MZTLYKBRKVKTTE-UHFFFAOYSA-N 382.573 4.644 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(F)cc1Br 10541089 PUCXGOUBEMYWJF-UHFFFAOYSA-N 388.240 4.643 0 40 GJAB Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)n1 11027541 VZOUMPMNHHCNTI-UHFFFAOYSA-N 381.524 4.894 0 40 GJAB CC[C@@H](C)c1ccc(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cc1 11473550 ZWWDWYNLZVKLKT-OAHLLOKOSA-N 379.460 4.830 0 40 GJAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)o2)c(C)o1 11835538 VJYDTBKUBFFSLU-UHFFFAOYSA-N 397.378 4.696 0 40 GJAB C[C@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1cccs1 12548115 DGPOMKUJFZBECI-LBPRGKRZSA-N 385.489 4.683 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 12732806 ODFSZLAKRKMAJW-VEDPWSRISA-N 391.559 4.753 0 40 GJAB CCCCCCc1cc2cc(C(N)=O)/c(=N/c3ccccc3OC)oc2cc1O 14543833 SQHJNYLWHLPMAF-BZZOAKBMSA-N 394.471 4.601 0 40 GJAB FC(F)(Br)[C@@](F)(Br)C(F)(F)Oc1ccccc1 14628554 QYJBNNMFIHYLKB-ZETCQYMHSA-N 383.936 4.707 0 40 GJAB CN(C(=O)COc1ccccc1)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835539 ITKASEDOQYPROC-JOCHJYFZSA-N 376.481 4.856 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCc1c[nH]c2ccccc12 16035350 JLHUQBIHJMCBBS-MMOPVJDHSA-N 385.504 4.648 0 40 GJAB O=C(NC1CC1)c1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 16966070 VBYKROKGBVVTLZ-UHFFFAOYSA-N 397.434 4.639 0 40 GJAB CC(C)c1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cs1 19712650 IASVALLIZYQNHP-JQVVWYNYSA-N 396.556 4.539 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccco3)no2)cc1C 21524266 XVUZVODBHUIHQP-UHFFFAOYSA-N 376.412 4.987 0 40 GJAB O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCc3sccc3C2)cc1 22597794 OSGAXEGOZPSQNV-UHFFFAOYSA-N 377.469 4.591 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)Nc2cccc(Cl)c2F)no1 26367476 WRFKXVUGURYKLE-UHFFFAOYSA-N 377.828 4.715 0 40 GJAB COc1ccc(CN2C(=S)N(c3ccccc3)C(=O)[C@H]2c2ccccc2)cc1 28405696 UGRKTRHCRFXAEJ-OAQYLSRUSA-N 388.492 4.570 0 40 GJAB Cc1cccc(NC(=O)[C@H](C)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c1 40086184 JWKKFTWVBAXRPV-IBGZPJMESA-N 378.516 4.534 0 40 GJAB COc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 40485380 ZGLIQQFWZWOEOV-QFIPXVFZSA-N 389.426 4.887 0 40 GJAB COc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc(OC)cc3OC)co2)cc1 42754195 ABPUMKYDUBNWDR-OAQYLSRUSA-N 394.471 4.705 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2cccc(Cl)c2)CC1 44933002 OVLRFYRORQPSGJ-QFIPXVFZSA-N 382.935 4.746 0 40 GJAB C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccccc1 46078390 IEPMUBQMBSPGLQ-GOSISDBHSA-N 384.479 4.771 0 40 GJAB CC(C)N(Cc1ccccc1)C(=O)Nc1cccc(I)c1 58305080 XHSHEJJJBGQYRX-UHFFFAOYSA-N 394.256 4.734 0 40 GJAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1c[nH]c(=S)n1-c1ccccc1 58402944 KWLNUBYHNFMSAG-MRXNPFEDSA-N 381.501 4.880 0 40 GJAB COc1ccc2nc(C)c(C(=O)Nc3cnccc3Oc3ccccc3)cc2c1 69737867 BWBMAWWSHAHBSL-UHFFFAOYSA-N 385.423 4.991 0 40 GJAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1ccc(Cl)cc1 71326491 IAJBMXLXABBUSA-UHFFFAOYSA-N 385.920 4.690 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1c(F)cccc1Cl)SCC(O)=N2 79474984 INNRLNRBOFZGEW-KRWDZBQOSA-N 388.855 4.792 0 40 GJAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C=C[C@H]4O[C@@H]4C[C@@H]3[C@@]1(Cl)C2(Cl)Cl 104379192 ZURTYEXVEKFTMO-HQWHBTJSSA-N 380.913 4.792 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219596660 LWKSYLCDJDSVHD-PMACEKPBSA-N 383.488 4.580 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(F)c3)N21 222706598 ODIOEDGEFABIEH-MAODMQOUSA-N 392.503 4.991 0 40 GJAB COc1ccc2cc(S(=O)(=O)N[C@H](CC(C)C)c3ccccc3)ccc2c1 223464153 UQGUSSASVAKVGY-JOCHJYFZSA-N 383.513 4.914 0 40 GJAB COc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C 223734133 HWZYQYRBWAACHB-UHFFFAOYSA-N 384.328 4.974 0 40 GJAB CC(C)c1ccc(OCC(=O)NC[C@H](C)c2ccccc2)c(Br)c1 224249817 ZVQITARGKZBNNQ-HNNXBMFYSA-N 390.321 4.871 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3C)no2)c1 224939531 RBAVMEJALCYHNV-KRWDZBQOSA-N 393.487 4.561 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 225035297 RJRUBSPTRUTSPN-LEWJYISDSA-N 394.559 4.568 0 40 GJAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225548246 BEIFWSSZORMLHH-UHFFFAOYSA-N 398.522 4.997 0 40 GJAB CCOc1ccc(CCCNC(=S)Nc2cccc(Br)c2)cc1 225621540 LHWDYINQUNHONL-UHFFFAOYSA-N 393.350 4.767 0 40 GJAB CCCCCC(=O)Nc1cc(Br)ccc1-c1ccc(C(=O)O)o1 226352061 DMBAAPCZZFJXDO-UHFFFAOYSA-N 380.238 4.926 0 40 GJAB Cc1nc(-c2ccccc2)c(C(=O)NCCCn2ncc3c(C)cccc32)s1 257173608 SCFQKMCUWQDHAP-UHFFFAOYSA-N 390.512 4.597 0 40 GJAB CCCCC(=O)N1CCC[C@@H]1c1ccc(C(=O)O)c(-c2cccc(Cl)c2)n1 257213568 CIDJJEUSUIQSJV-GOSISDBHSA-N 386.879 4.954 0 40 GJAB Cc1cc([C@H]2CCCCN2C(=O)c2cccc(F)c2)nc(-c2c(C)noc2C)n1 257290963 QFAUGUKFZINYEK-LJQANCHMSA-N 394.450 4.563 0 40 GJAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2ccc(Cl)cc2F)n1 257335481 YKICREQRSQVLOU-SFHVURJKSA-N 386.858 4.878 0 40 GJAB Cc1cccc(CN2CCC[C@H](c3nc4ccc(-c5cccs5)cn4n3)C2)n1 306132609 LNSVMSVOKIEBJP-SFHVURJKSA-N 389.528 4.541 0 40 GJAB COC(=O)c1ccc(Nc2nc(-c3ccc(C)cc3C)c(CC(=O)O)s2)cc1 408899572 QMTMZLCDJLLCSV-UHFFFAOYSA-N 396.468 4.584 0 40 GJAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccc(Cl)cc2)cc1 408942597 GGRBJWWOBCTZHY-UHFFFAOYSA-N 382.847 4.518 0 40 GJAB CCOc1cc(CNc2ccccc2CC)cc(I)c1O 409111660 BKMATOYYODHYTR-UHFFFAOYSA-N 397.256 4.570 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2cc(C)ccc2C)cc1 409113029 HSEZXWOLFBJGJC-UHFFFAOYSA-N 381.497 4.992 0 40 GJAB O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCC[C@H]2COCC[C@H]21 531796839 XGIGIAVYPPSKOT-GHTZIAJQSA-N 385.891 4.560 0 40 GJAB O=C(NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)c1ccc(-c2ccco2)s1 1138233926 PTQOXTDSOOFCEW-RBBKRZOGSA-N 399.487 4.651 0 40 GJAB CC(C)N1CCC(N2C(=O)NCCCc3ccccc3[C@@H]2c2ccccc2)CC1 2037978225 JKBUBFPEFCRYDF-DEOSSOPVSA-N 391.559 4.607 0 40 GJAB O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)OC1CCCCC1 786219 LLAFATMIZXSQAV-UHFFFAOYSA-N 398.484 4.770 0 40 GJAB CC(=O)Oc1ccc2cc(-c3nc4c(s3)CCc3ccccc3-4)c(=O)oc2c1 813048 TZWGUTNNPMBCMM-UHFFFAOYSA-N 389.432 4.607 0 40 GJAB Cc1ccc2nc(Cl)c([C@H]3NC(=O)c4c(sc5c4CCCC5)N3)cc2c1 873103 NSEYKFZLYLZJGX-SFHVURJKSA-N 383.904 4.991 0 40 GJAB COc1ccc(-c2cc(=O)c3cc(OC(=O)c4cccs4)ccc3o2)cc1 955674 NYUCOFCGEKYNBG-UHFFFAOYSA-N 378.405 4.749 0 40 GJAB biogenic O=C(COC(=O)c1ccc(Br)o1)c1ccc2c(c1)-c1ccccc1C2 3330577 FHJWBNKXJYCWTR-UHFFFAOYSA-N 397.224 4.653 0 40 GJAB COc1ccc([C@H](CNC(=O)c2cccs2)c2c[nH]c3ccccc23)cc1 3343169 UWQANCXHPSBETI-SFHVURJKSA-N 376.481 4.800 0 40 GJAB COc1cc(OC)c(N[C@H](C)C(=O)Nc2ccccc2SC)cc1Cl 3413038 LEDCBGWVYDHAOA-LLVKDONJSA-N 380.897 4.518 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)cc1 3510305 QFLDQTVKTNKDJD-NSHDSACASA-N 396.668 4.711 0 40 GJAB CC(C)c1ccc(NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)cc1 4699965 XEEUCWPSKBEKOC-UHFFFAOYSA-N 395.286 4.711 0 40 GJAB CC(=O)c1cccc(NC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)c1 5147145 UOXRGLQVJDWYJG-UHFFFAOYSA-N 389.480 4.755 0 40 GJAB Cc1ccc(Cn2c(CCCNC(=O)c3ccccc3)nc3ccccc32)cc1 5545888 GIQDKFPFLWRCFX-UHFFFAOYSA-N 383.495 4.756 0 40 GJAB Cc1ccc(NC(Nc2ccc(C)cc2)=C2N=C(c3ccc(C)cc3)NC2=O)cc1 5812745 IPJQOLRBKCJZPE-UHFFFAOYSA-N 396.494 4.882 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 6307716 IBYSRUZBBLBYFR-DHZHZOJOSA-N 399.487 4.670 0 40 GJAB CCOC(=O)c1nc(NC(=O)c2sc3cc(F)ccc3c2Cl)sc1C 6402039 PUSDWXCLNSHMFM-UHFFFAOYSA-N 398.868 4.888 0 40 GJAB COc1ccc([C@@H](CNC(=O)Cc2ccsc2)c2c[nH]c3ccccc23)cc1 6787496 PRVVKHWGFVRSOZ-HXUWFJFHSA-N 390.508 4.729 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 7055614 PUBJUSDHEDVQHO-UHFFFAOYSA-N 396.493 4.773 0 40 GJAB C[C@@H](Sc1nnc(C2CC2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 7289288 TYMUJLCNYDOXLN-CQSZACIVSA-N 395.484 4.645 0 40 GJAB Cc1cccc(C)c1OCC(=O)N1CCC(c2nc3ccccc3s2)CC1 8086194 UIHDQSWNCMQPNH-UHFFFAOYSA-N 380.513 4.698 0 40 GJAB COc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C1CC1 8709894 PQSDMMNDDZPFRU-UHFFFAOYSA-N 379.485 4.624 0 40 GJAB CCCOc1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1OC 8734415 TYTNUCZYARKIQK-CYBMUJFWSA-N 381.394 4.994 0 40 GJAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)OCc3ccccc3)cc21 8959679 ACRZRXPRVKMUOJ-UHFFFAOYSA-N 382.460 4.597 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9446430 ATKINKSTLUNDJO-UHFFFAOYSA-N 397.519 4.769 0 40 GJAB COc1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1F 10422370 QWJPGRRKICCQSY-UHFFFAOYSA-N 376.387 4.824 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(Cl)c1Cl 10903401 UZYSFQDGAPNHNX-UHFFFAOYSA-N 388.298 4.785 0 40 GJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccccc2C)cc1 11116867 URUICNKVGZOILK-RTWAWAEBSA-N 393.512 4.511 0 40 GJAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@H](c1cc(F)ccc1F)O2)CCC3 11866491 WAJGRBBPAYTMRD-QGZVFWFLSA-N 382.362 4.575 0 40 GJAB Cc1sc(-c2ccccc2)nc1C(=O)N[C@@H](C)Cc1c[nH]c2ccccc12 11866552 VIHYYEBFWGKGBU-AWEZNQCLSA-N 375.497 4.961 0 40 GJAB CCOc1cc(Nc2ccc(NC(=O)Nc3cccc(C)c3)cc2)nc(C)n1 12225850 UHWGCVMVIHVRPO-UHFFFAOYSA-N 377.448 4.880 0 40 GJAB Cc1ccccc1OCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 12539723 FGCHRVSUMLXSQY-QGZVFWFLSA-N 389.455 4.508 0 40 GJAB Cc1ccc(CCC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)cc1 12783232 UHLUFEKBRYQKNK-UHFFFAOYSA-N 376.422 4.894 0 40 GJAB COc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1OC 12918991 DVHNLSIBJKQXOS-UHFFFAOYSA-N 394.452 4.504 0 40 GJAB CC(C)[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 12919872 LVRMASJVGDJBHE-HTAPYJJXSA-N 382.504 4.948 0 40 GJAB Cc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 13041898 CBYRRNXCAPBKMB-GOSISDBHSA-N 387.483 4.537 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2nccc(-c3ccc(C)c(C)c3)n2)cc1 15829371 LSCIVXLDOYHSPX-UHFFFAOYSA-N 391.496 4.694 0 40 GJAB COc1ccc(-c2cn3c(CCC(=O)Nc4ccc(F)cc4)csc3n2)cc1 16848818 ZZUQBUQEWXKPSW-UHFFFAOYSA-N 395.459 4.782 0 40 GJAB C[C@@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC1CCCCC1 19623555 GZMRUUMQVPJDPX-XMSQKQJNSA-N 389.543 4.727 0 40 GJAB CC(C)(C)c1csc(CCNC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)n1 19715629 GOCNCAICIIFZIM-ZDUSSCGKSA-N 389.565 4.552 0 40 GJAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC[C@H](c3ccco3)N(C)C)c2c1 23078628 YDGUHWFTEOWKLP-HSZRJFAPSA-N 399.494 4.836 0 40 GJAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(OC(F)F)cc1 25953152 RCVOEGWFQSPTED-UHFFFAOYSA-N 382.432 4.895 0 40 GJAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)Nc1ccc(F)cc1F 32610362 GXKUAOLPHOXENH-UHFFFAOYSA-N 380.757 4.646 0 40 GJAB COc1ccc(C)cc1CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 32739539 UANLPMQOYJGNBV-UHFFFAOYSA-N 375.881 4.743 0 40 GJAB O=C(Nc1cccc(Oc2cnccn2)c1)C1(c2cccc(Cl)c2)CCC1 33137825 UGWPNGUGWOUPJB-UHFFFAOYSA-N 379.847 4.983 0 40 GJAB Cc1ccccc1[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)N1CCCC1 36097324 DJABOVPEOOMXSC-LJQANCHMSA-N 376.422 4.581 0 40 GJAB Cc1ccc2c(=O)cc(CSCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c2c1 41108667 XHNLNILJGVZFJT-UHFFFAOYSA-N 390.867 4.501 0 40 GJAB CC(C)(C)c1cc(NC(=O)COCc2ccccc2Cl)n(C(C)(C)C)n1 58015649 KOGFXKVGGSOTEG-UHFFFAOYSA-N 377.916 4.744 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2ccccc2F)CC1 58121471 YJVMBNQZHRCRNU-UHFFFAOYSA-N 397.538 4.833 0 40 GJAB Cc1c(O)ccc2c(CNc3ccccc3COc3ccccc3)cc(=O)oc12 59830725 RKHIGCAYYJWHGA-UHFFFAOYSA-N 387.435 4.998 0 40 GJAB COc1cccc(Cc2cccc(C3CCN(C(=O)c4ccccc4)CC3)n2)c1 72348637 AUOHNYAJMGXUMU-UHFFFAOYSA-N 386.495 4.701 0 40 GJAB COc1cc(NC2=NC(=O)S/C2=C\c2ccc3ncccc3c2)cc(OC)c1 72401744 HFDINUYDPMFALA-OCKHKDLRSA-N 391.452 4.970 0 40 GJAB CCCNC(=O)c1ccc2onc(-c3csc(-c4ccc(OC)cc4)n3)c2c1 96154431 CVSQSSGMUQEIAZ-UHFFFAOYSA-N 393.468 4.767 0 40 GJAB c1coc(CN2CCC3(CC2)C[C@@H](NCc2ccoc2)c2ccccc2O3)c1 96242821 OIYBWIICQFOYGK-OAQYLSRUSA-N 378.472 4.521 0 40 GJAB Cc1cc(NC(=O)Cc2cccc(Br)c2)ccc1Br 104181541 QEIPZNOPYHZGOO-UHFFFAOYSA-N 383.083 4.701 0 40 GJAB O=C1S/C(=C\c2cccc3ccccc23)C(=O)N1CCOc1ccccc1 106758945 VPDOMPMVLZDCKF-HKWRFOASSA-N 375.449 4.955 0 40 GJAB COc1ccc(-c2nc(/C=C/C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cs2)cc1 110510286 DRPTTYXRDVBETF-WOBCDVIKSA-N 382.529 4.773 0 40 GJAB COc1ccc(-c2nc(/C=C/C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cs2)cc1 110510294 DRPTTYXRDVBETF-QCGJFUTMSA-N 382.529 4.773 0 40 GJAB Cc1cc(C)c2[nH]c(C)c(CC(=O)Nc3ncc(-c4ccc(F)cc4)n3C)c2c1 141534384 KEONDVPDBWSYHA-UHFFFAOYSA-N 390.462 4.814 0 40 GJAB CO[C@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1Cl 206852209 UXGJYMZFMXOOLQ-QGZVFWFLSA-N 385.813 4.795 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(OC)c(Cl)cc1OC 222990228 CWSRIKQZIPRCKB-QGZVFWFLSA-N 377.868 4.770 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1 223007067 JMFSGABICFJCEU-SFHVURJKSA-N 375.852 4.621 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(C(=O)OC)c1C 223018288 CNNNBEHLLNFIRX-GOSISDBHSA-N 375.852 4.540 0 40 GJAB Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1Br 223205025 VOJHSCFUDUORAX-CQSZACIVSA-N 388.305 4.502 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C(C)C 223341426 PJYXOGHPSABBKS-LEWJYISDSA-N 394.544 4.847 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 223396554 PLNYZODICOFZSP-KRWDZBQOSA-N 393.487 4.594 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223659190 UJIISMHLMQHGDZ-JOCHJYFZSA-N 383.532 4.954 0 40 GJAB CC(C)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)s1 224026916 HYBYSLFAMVGNDR-CYBMUJFWSA-N 387.530 4.845 0 40 GJAB COc1ccc(OCc2cc(C(=O)Nc3cccc(C)c3)ccc2OC)cc1 224263514 ZUGOZUPQYUQQOL-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(OC)cc1 224595999 ZCVPRRYXFYVVRT-UHFFFAOYSA-N 391.467 4.603 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c(C)[nH]1 224890321 GZZHDBPJUZWOBI-WOJBJXKFSA-N 380.492 4.651 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC2CCC2)[C@H]1c1cccs1 257173747 WCQHAQGXBPETAL-LEWJYISDSA-N 396.556 4.601 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(C)cc(C)c1 408620785 KAKVSYHSHVXSKY-UHFFFAOYSA-N 383.300 4.746 0 40 GJAB CCCCOC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)O 408731858 NNJGESMIHPDOFF-CIAFKFPVSA-N 378.468 4.784 0 40 GJAB O=C(O)CCSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 408751446 ZNFFQYOVBQTZLK-UHFFFAOYSA-N 392.889 4.769 0 40 GJAB COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)c2ocnc2C(F)F)c1 626428943 XJHUPOHALVKIAK-IEBWSBKVSA-N 398.409 4.992 0 40 GJAB CN1[C@H]2CC[C@H]1CC([C@H](NCc1cnc(C3CC3)o1)c1ccc(Cl)cc1)C2 628265157 RJSRZRIRZGISCT-IRFCIJBXSA-N 385.939 4.909 0 40 GJAB CC(C)C(=O)N1CCCCCCCN(C2CCN(C)CC2)Cc2ccccc21 643563026 FDEVXYWXOBMZET-UHFFFAOYSA-N 385.596 4.536 0 40 GJAB CC(C)c1c(NC(=O)N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@H]32)cnn1-c1ccccc1 666882380 CQHRCANJEYVIDC-CEWLAPEOSA-N 390.462 4.595 0 40 GJAB Cc1ccccc1OCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615159123 TWOTYNJUVSLXNP-SFTDATJTSA-N 396.506 4.561 0 40 GJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1Cl 628591 KKAQHCPNQGCELR-QGZVFWFLSA-N 388.254 4.805 0 40 GJAB O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCCCCC1 865742 JVXSJKRVJYVZSO-IUODEOHRSA-N 398.454 4.621 0 40 GJAB CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)c1ccccc1 877939 NRCTTZQGILPKQS-UHFFFAOYSA-N 386.908 4.539 0 40 GJAB COc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccc(C)o3)C[C@H]21 934700 PHKVIRMTMAZKOL-GCJKJVERSA-N 378.403 4.978 0 40 GJAB CCC(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 946455 WBPDTTNFVURJMK-UHFFFAOYSA-N 389.201 4.663 0 40 GJAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC(=O)C(C)C)cc12 1522223 GGPYRXGZPIYJJM-UHFFFAOYSA-N 379.456 4.985 0 40 GJAB FC(F)(F)c1cc(-c2ccc3ccccc3c2)nn1C(=S)N1CCCC1 2397575 AKXDHJUDBYWFAR-UHFFFAOYSA-N 375.419 4.951 0 40 GJAB C[C@H]1CCc2c(C(=O)Nc3ccccc3I)csc2C1 2708119 OKVQEMAWCLWVGV-JTQLQIEISA-N 397.281 4.730 0 40 GJAB COc1cc(NC(=O)c2oc3ccc(Br)cc3c2C)cc(OC)c1 2726412 LMOOOPZYENOZTM-UHFFFAOYSA-N 390.233 4.773 0 40 GJAB CCOc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)ns2)cc1 2917463 XNKFBYJXWGNVFE-UHFFFAOYSA-N 385.514 4.643 0 40 GJAB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)O)n1C1CCCCC1 3354127 VDTZLNJJWRETCX-UHFFFAOYSA-N 395.912 4.501 0 40 GJAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CCC1CCCCC1 4033124 VHUOTZORKAUUJT-UHFFFAOYSA-N 378.476 4.704 0 40 GJAB COc1ccc(OC)c(-c2ncc(NC(=O)c3ccc4ncsc4c3)s2)c1 4088569 VDNTXLOLDNSMNE-UHFFFAOYSA-N 397.481 4.689 0 40 GJAB Cc1ccc(C(=O)N(Cc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 4540678 VQZQTEAKEOWKBG-UHFFFAOYSA-N 396.490 4.988 0 40 GJAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nc2c(s1)CCCC2 5016486 WHFYBBZNXYPTBL-SNVBAGLBSA-N 375.544 4.751 0 40 GJAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)cc1 5051468 UXHKYGWQCNOOIY-UHFFFAOYSA-N 398.397 4.546 0 40 GJAB CCOc1ccccc1-c1cc(-c2nnc(S)n2CC)c2ccccc2n1 5432311 OSRYPIOEJGZMAE-UHFFFAOYSA-N 376.485 4.868 0 40 GJAB aggregator O=c1[nH]c(-c2cccc(Br)c2)nc2sc3c(c12)CCCCC3 5728863 PIIYXVDVTHQQPW-UHFFFAOYSA-N 375.291 4.683 0 40 GJAB Cc1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1NC(=O)c1ccco1 5994809 ZPXARIFEUDIOHG-UHFFFAOYSA-N 399.830 4.730 0 40 GJAB O=C(/C=C/c1sc2ccccc2c1Cl)N1CCN(c2ccccc2)CC1 6822291 FMKSDNCNLQDKGI-ZHACJKMWSA-N 382.916 4.917 0 40 GJAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCC[C@H]3c3cccs3)c2C)no1 7735426 CLYNJFJBQMMKSO-BLGFXRMMSA-N 381.501 4.829 0 40 GJAB O=C(NCc1ccccc1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 8476495 KTUNYOCQSHTDEN-UHFFFAOYSA-N 388.858 4.518 0 40 GJAB COc1ccc(-c2nnc(CN(Cc3c(F)cccc3Cl)C3CC3)o2)cc1 8708406 BRMSDTAQXYPOQY-UHFFFAOYSA-N 387.842 4.702 0 40 GJAB CC1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc(N2CCOCC2)cc1 8993070 UTFNRCFWBKCMGJ-UHFFFAOYSA-N 391.515 4.502 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 9062903 UNXMBDIKKGNTLN-UHFFFAOYSA-N 376.422 4.865 0 40 GJAB COc1cc(N)c(Cl)cc1C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F 9685465 ASALWXZCECQEBU-VIFPVBQESA-N 395.793 4.594 0 40 GJAB COc1ccccc1NC(=O)c1nc(SCc2cccc(C)c2)ncc1Cl 11914529 TWULPNGHGLAJKY-UHFFFAOYSA-N 399.903 4.992 0 40 GJAB Cc1ccccc1-n1c(SCc2ncon2)nnc1-c1ccc(Cl)cc1 12543395 QHMOEBHWNWGATC-UHFFFAOYSA-N 383.864 4.571 0 40 GJAB O=C(CS/C(=C/c1ccc(F)cc1)C(=O)O)Nc1ccccc1C(F)(F)F 12580332 NWBRHBPCQDKCGN-OQLLNIDSSA-N 399.365 4.642 0 40 GJAB C[C@@H]1CN(c2nc(-c3cccnc3)nc3sc(-c4ccccc4)cc23)CCO1 12879912 DOWYSUATFCOSEC-OAHLLOKOSA-N 388.496 4.645 0 40 GJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 13710553 FAGISLDSBISKOT-HNNXBMFYSA-N 395.927 4.913 0 40 GJAB Cn1c(COc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 14087527 PTHUMSIUFVSRJZ-UHFFFAOYSA-N 380.300 4.993 0 40 GJAB COc1ccc(Cl)cc1NCC(=O)Nc1cccc(-c2csc(C)n2)c1 15289937 MSWQLSBMRYKEBF-UHFFFAOYSA-N 387.892 4.831 0 40 GJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1Cl)c1ccc(F)cc1 19349763 RXTJXJVHWVEZRL-LJQANCHMSA-N 383.854 4.531 0 40 GJAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)cc2)c(Br)c1 20110383 AATNYQZSFDEFIK-AWEZNQCLSA-N 376.294 4.576 0 40 GJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)CSc1ccccc1 20611115 FDPHPSKWQOMTFD-UHFFFAOYSA-N 392.459 4.599 0 40 GJAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 22920677 IIBBSPDCEBONAO-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB Cc1c(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)oc2c(Cl)cccc12 32898892 QVXPWGVBSCGBBK-UHFFFAOYSA-N 397.858 4.835 0 40 GJAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](c2nc3ccccc3o2)C1 40081902 YSNTZTBWXHMIIA-KBPBESRZSA-N 380.473 4.880 0 40 GJAB O=C(N[C@H]1CCOc2ccccc21)c1cccnc1SCc1ccc(F)cc1 40131116 GUYDSJQHDZYLGX-IBGZPJMESA-N 394.471 4.767 0 40 GJAB CC(C)N(Cc1cnn(C)c1)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 40157044 ZMNZMOBLYCOQPJ-PKNBQFBNSA-N 383.492 4.738 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875352 DWMLVNWWXGVXEF-QHCPKHFHSA-N 394.559 4.763 0 40 GJAB Cc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44909397 ULDRDISZWDERRJ-OAQYLSRUSA-N 384.951 4.609 0 40 GJAB Cc1cccc(NC(=O)c2nc(-c3ccco3)sc2C)c1C(=O)N1CCCC1 60535619 JUZBOYRCZNSKMX-UHFFFAOYSA-N 395.484 4.508 0 40 GJAB COCOc1ccc(OC)cc1CNc1cc([C@@H]2C[C@@H]2C)nn1-c1ccccc1 95455334 VFAWCZZTJXZHKX-OXJNMPFZSA-N 393.487 4.599 0 40 GJAB CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3Cl)o2)CC(C)(C)N1 96183860 CAQNPYDYHCHJEX-UHFFFAOYSA-N 376.884 4.764 0 40 GJAB S=C(Nc1ccc(Cl)cc1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1cccs1 100423778 ZKOYCPNDEQERFO-IRXDYDNUSA-N 391.993 4.884 0 40 GJAB CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C 107588941 QCEBWXQNVAWYIQ-KRWDZBQOSA-N 394.544 4.698 0 40 GJAB CCOc1cc(Br)c(C(=S)N2CCC(C)CC2)cc1OCC 108023486 JDROLHMFBWIGFX-UHFFFAOYSA-N 386.355 4.654 0 40 GJAB CCCCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 223122932 HPMCOBDBRNPMDI-UHFFFAOYSA-N 394.515 4.529 0 40 GJAB Cc1ccc(C)c2sc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)nc12 408628182 QJADGDQDRNWJDT-UHFFFAOYSA-N 389.933 4.622 0 40 GJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1nc(-c2ccccc2)cs1 409197501 HDWWBPMJVXUHBQ-UHFFFAOYSA-N 396.512 4.508 0 40 GJAB Brc1cc2c(OCc3nnc([C@H]4CCCOC4)o3)cccc2s1 629411307 JLHAYAJXESKAJJ-JTQLQIEISA-N 395.278 4.520 0 40 GJAB COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 938633 BZOOLSMUBYDZBO-OAHLLOKOSA-N 385.529 4.867 0 40 GJAB CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1025378 SAUIKQUJKUCXCB-HNNXBMFYSA-N 395.406 4.971 0 40 GJAB CSc1ccc(NC(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CC2)cc1 1364869 HCQNTKWTXDUBKX-UHFFFAOYSA-N 393.512 4.755 0 40 GJAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1C(F)(F)F 1941473 CMGAULXAJOQWHD-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC[C@H]1CCCO1 2759130 MSNVDZLJEAPNNR-QGZVFWFLSA-N 380.875 4.772 0 40 GJAB CCCCNc1nc(SCC(=O)NCc2ccc(C)cc2)nc2ccccc12 2941573 IWUXKDYZVQVYKE-UHFFFAOYSA-N 394.544 4.559 0 40 GJAB C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](c1cccs1)N1CCCC1 3206328 LETUGUIGNHRAIJ-SUMWQHHRSA-N 379.982 4.914 0 40 GJAB Cc1cc(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)ccc1Br 3451543 LVDMVJYKHWZWRB-SNVBAGLBSA-N 385.664 4.989 0 40 GJAB O=C(NCCCc1nc2ccccc2n1Cc1ccc(F)cc1)C1CCCCC1 4385002 RRZZQVYFOZAIPB-UHFFFAOYSA-N 393.506 4.853 0 40 GJAB CC(C)(C)NC(=O)[C@@H](c1cccc(F)c1)N(C(=O)c1ccco1)c1ccccc1 4933816 VSKPBOALGQXSSG-HXUWFJFHSA-N 394.446 4.722 0 40 GJAB COC(=O)c1ccc(CSc2nn(-c3ccc(F)cc3)c(=S)s2)cc1 5175979 CXCAAOKHDITRSO-UHFFFAOYSA-N 392.502 4.881 0 40 GJAB O=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1ccc(N2CCOCC2)cc1 5261853 DXFCWCAVQYYUQM-ACCUITESSA-N 390.508 4.904 0 40 GJAB O=C1CSc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2N1 6215422 QVBNTRMQWMDFMQ-UHFFFAOYSA-N 376.437 4.775 0 40 GJAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc3ccccc3o2)n1 6464247 UXVSLBQBWKOODR-UHFFFAOYSA-N 399.859 4.855 0 40 GJAB O=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)s1 6602575 MZCSPOUTVXXPDY-UHFFFAOYSA-N 399.899 4.787 0 40 GJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(OCC)c1 6753003 BNKWIMGZXDIURA-JOCHJYFZSA-N 391.471 4.526 0 40 GJAB CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 6811550 VNDRKKYQMRCRAT-UHFFFAOYSA-N 388.295 4.514 0 40 GJAB CCCn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccc(Cl)cc1 6947964 ORQSCNCWPPAFHF-UHFFFAOYSA-N 392.956 4.503 0 40 GJAB Fc1ccccc1-n1cnnc1SCc1cc(Cl)c2c(c1)OCCCO2 6981122 LEXUULHVVSHIKG-UHFFFAOYSA-N 391.855 4.513 0 40 GJAB O=C(Cc1ccccc1Cl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7407286 PQBCKCOAFGKEOM-UHFFFAOYSA-N 380.879 4.506 0 40 GJAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 7719249 ZYZHUUKNBMKHOR-QGZVFWFLSA-N 397.494 4.697 0 40 GJAB O=C(COc1ccccc1Cl)N[C@H](c1ccc(F)cc1)c1cccs1 7889418 VPSDQAAYPKOOTB-LJQANCHMSA-N 375.852 4.825 0 40 GJAB Cc1cccc(C)c1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 7987841 VAIIVOROJMNMDZ-UHFFFAOYSA-N 383.451 4.563 0 40 GJAB COc1ccc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 8714179 KZMNHZVPEDMKQU-UHFFFAOYSA-N 379.843 4.510 0 40 GJAB COc1ccc2[nH]c(C)c(-c3csc(NC(=O)c4cccc(F)c4)n3)c2c1 9419343 AWFDLXHRENPUBV-UHFFFAOYSA-N 381.432 5.000 0 40 GJAB CCN(C(=O)[C@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1)c1ccccc1 9946712 HZMTYGJWDIVHDL-KRWDZBQOSA-N 379.529 4.843 0 40 GJAB CCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3OC)cc2)nc(C)n1 12225878 TVGHSOILIFDJSL-UHFFFAOYSA-N 393.447 4.580 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCC[C@H]2C)cc1 12437883 IDFRQUDXCNFELV-QGZVFWFLSA-N 380.513 4.755 0 40 GJAB CCn1ncc2c(C(=O)Nc3ccc(F)cc3C)cc(-c3cccs3)nc21 12813494 VDAMMZASHGUSGA-UHFFFAOYSA-N 380.448 4.880 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1 13631063 KMWJNJJEGGEHTO-UHFFFAOYSA-N 388.467 4.584 0 40 GJAB CN(Cc1c(F)cccc1Cl)C(=O)c1cnn(Cc2ccccc2Cl)c1 14202206 YVBFVWWIZKGCOB-UHFFFAOYSA-N 392.261 4.650 0 40 GJAB S=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1nnc2ccccn12 15154022 SUHSOMJQGFMTNK-AWEZNQCLSA-N 392.315 4.570 0 40 GJAB O=C(/C=C/c1ccc(OC(F)F)cc1)N[C@H]1CCSc2c(F)cccc21 16300651 HTPWDJHRMFJLSS-FSNWXROXSA-N 379.403 4.794 0 40 GJAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC2CCCC2)c(OC)c1 19874267 ASXPGUFNHADHRD-HSZRJFAPSA-N 392.499 4.742 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(OC)c(Cl)cc1OC 20451697 ZXEROHARIORINU-QGZVFWFLSA-N 377.868 4.770 0 40 GJAB CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N(CC)CC)cc1 23109705 WQGIWSNXLXEOPZ-UHFFFAOYSA-N 382.529 4.785 0 40 GJAB CN(C)[C@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccsc1 25331273 METJAYHASHGUEO-MRXNPFEDSA-N 391.949 4.558 0 40 GJAB CCCCOc1ccc(Cc2c(Cl)nc(SC)nc2SC(=N)N)cc1 26952799 PXOIQSNNRHPBHI-UHFFFAOYSA-N 396.969 4.607 0 40 GJAB O=C(COc1cccc(Cl)c1)NC[C@@H](c1cccs1)N1CCCCCC1 27662765 QVVXYTYFOQNEAF-SFHVURJKSA-N 392.952 4.514 0 40 GJAB Cc1c(C(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCCO2)oc2ccc(F)cc12 28250937 QHCMTRADQCKWCT-SFHVURJKSA-N 385.410 4.841 0 40 GJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1c(C)cccc1C 31903351 JBVHFXPEFXCXSG-OAQYLSRUSA-N 391.515 4.806 0 40 GJAB COc1ccc(-c2c[n+](-c3ccc(SC(F)(F)F)cc3)c3n2CCC3)cc1 32611745 PIRINLDPDDSKIN-UHFFFAOYSA-N 391.438 4.999 0 40 GJAB Cn1c(SCc2c(-c3ccccc3)nc3ccccn23)nc2ccccc2c1=O 32672021 HWZAXSLTPZIUFN-UHFFFAOYSA-N 398.491 4.541 0 40 GJAB CCOc1ccc(-c2nc(Cn3cnc4sc(CC)cc4c3=O)cs2)cc1 32765102 MUYUUWCEDQRWHP-UHFFFAOYSA-N 397.525 4.591 0 40 GJAB O=C(NC1CCCCC1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 33591826 FTUDPVKPASBLCO-UHFFFAOYSA-N 385.471 4.683 0 40 GJAB COC(=O)c1ccc(CSc2nc(-c3ccccc3)c3nc(C)sc3n2)o1 35682724 BBDJCPSAFJDJOT-UHFFFAOYSA-N 397.481 4.734 0 40 GJAB Cc1ccsc1-c1nn2c(-c3ccc(F)c(Br)c3)nnc2s1 36354544 WSBKOALOVXTBLB-UHFFFAOYSA-N 395.282 4.791 0 40 GJAB CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(F)cc2Br)c1 36395519 HKRCSHSZNMFXSS-LBPRGKRZSA-N 380.257 4.866 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccccc2Br)cc1OC 36626324 WVBDSKDVFMOWRQ-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB Cc1cc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c(C)s1 39979696 FRXUZKOCGCMHLN-KRWDZBQOSA-N 381.519 4.633 0 40 GJAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078970 ALCPGWSKAXPFAE-UHFFFAOYSA-N 392.405 4.810 0 40 GJAB Cc1nn(C)c2ncc(NC(=O)/C=C/c3ccc(Cl)c(C(F)(F)F)c3)cc12 48234525 WRNBVKGJZGYDAN-GQCTYLIASA-N 394.784 4.601 0 40 GJAB O=C(NOCc1csc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1 58129002 IACDFTUAUPZYMJ-UHFFFAOYSA-N 384.404 4.752 0 40 GJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc(-c2cccs2)no1 71844190 YECOARUIDYTSBF-MSOLQXFVSA-N 395.528 4.916 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72214314 XQHYUQIFBBVMGN-GOSISDBHSA-N 397.475 4.902 0 40 GJAB O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1ccc(F)cc1 79068448 IIJVLJWOIUOAFP-UHFFFAOYSA-N 393.805 4.635 0 40 GJAB FC(F)(F)c1cc2[nH]cc(I)c2cc1Br 91294532 IOLMLBNUXBFHMS-UHFFFAOYSA-N 389.940 4.554 0 40 GJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 219332246 NZQYMUIHURXIRH-VQTJNVASSA-N 385.504 4.746 0 40 GJAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3F)N21 222706373 SYFFIIKJXQZMMX-IWMITWMQSA-N 392.503 4.991 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 222866258 SUOVGZBUBPUHCU-LEWJYISDSA-N 376.529 4.563 0 40 GJAB CC1(C)CCc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc2O1 223659589 QPABYHYAMMTYLD-UHFFFAOYSA-N 386.300 4.898 0 40 GJAB COc1ccccc1OC[C@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1 225339723 XRLIFNNSAOHADN-ZDUSSCGKSA-N 382.287 4.518 0 40 GJAB CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 253479626 RLOYQHMWSVMPSX-ONTNHIFESA-N 385.592 4.533 0 40 GJAB Cc1cc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)ccn1 257226197 FJORKDKVPBSLHG-SFHVURJKSA-N 376.456 4.728 0 40 GJAB Cc1cc(Nc2ccccn2)cc(C2CCN(C(=O)C3CCCCC3)CC2)n1 257234192 GSNKDFXIGABZNH-UHFFFAOYSA-N 378.520 4.815 0 40 GJAB c1cc(Nc2cnccn2)nc(C2CCN(Cc3ccc4ncccc4c3)CC2)c1 257282240 OSZJBWGTCHMPDK-UHFFFAOYSA-N 396.498 4.543 0 40 GJAB COc1cccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@H]4C)c1 575473067 CCIACLPIRNOEKC-CQSZACIVSA-N 391.467 4.755 0 40 GJAB Fc1ccc(CN(Cc2coc(-c3ccc(F)cc3)n2)C2CCOCC2)cc1 585082875 DXDOMHCMCXEETM-UHFFFAOYSA-N 384.426 4.801 0 40 GJAB O=C(NCC[C@@H]1CCc2ccccc21)c1ccc(Nc2nccs2)cc1F 1641737851 RGQMISNNFHIPDH-HNNXBMFYSA-N 381.476 4.876 0 40 GJAB CCCC(=O)N1c2ccc(-c3csc(NC(=O)C(C)(C)C)n3)cc2C[C@@H]1C 1365747 PPCLGLRNSOJRLG-ZDUSSCGKSA-N 385.533 4.872 0 40 GJAB CCCCCn1c(N)c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc21 2206133 DZIAOPAINLBIQG-UHFFFAOYSA-N 391.450 4.748 0 40 GJAB Clc1cccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)c1 2359064 XZZNOXKCJZERDL-UHFFFAOYSA-N 391.681 4.936 0 40 GJAB Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 2395673 LSCHFSFXYSNUOW-UHFFFAOYSA-N 385.707 4.911 0 40 GJAB O=C(NC1CCC(CC2CCC(NC(=O)c3ccco3)CC2)CC1)c1ccco1 2780040 SMYUIPURAUIXTA-UHFFFAOYSA-N 398.503 4.540 0 40 GJAB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 4087560 QAWAPRUFKXHSPT-UHFFFAOYSA-N 393.512 4.887 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C 4860472 MBRYEWDZWMKNLD-UHFFFAOYSA-N 398.532 4.850 0 40 GJAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)cc1 5415156 FIXZYQHEUKDQGK-OAHLLOKOSA-N 395.532 4.523 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2 5537199 HOBNSFSMZZDICP-HNNXBMFYSA-N 375.424 4.567 0 40 GJAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1nnc(SCc2ccc(F)cc2)s1 5578848 SCDCOEAKIUPIBQ-BFHYXJOUSA-N 377.510 4.734 0 40 GJAB CSc1ccc(C(=O)CCC(=O)OCC(=O)c2c(C)[nH]c3ccccc23)cc1 5918538 GSOIRTFLWZAOKS-UHFFFAOYSA-N 395.480 4.587 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2c(-n3cccc3)sc(C)c2C)cc1C 6083022 OKLNVBZPFJSFKV-UHFFFAOYSA-N 382.485 4.568 0 40 GJAB CCc1ccc(NC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1 6406027 RNJWGTNEKRAUSX-UHFFFAOYSA-N 393.508 4.784 0 40 GJAB OC1=N[C@@H](c2ccccc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 6732675 XGNBUMIYSJJQQO-HXUWFJFHSA-N 375.497 4.735 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 7928859 ODLJYIBDLLYVDI-PGRDOPGGSA-N 385.463 4.869 0 40 GJAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1c(F)cccc1F 9107396 SQKJIGPOPWHRTG-UHFFFAOYSA-N 392.405 4.697 0 40 GJAB Nc1c(Cl)cc(NC(=O)NCCCn2ccc3ccccc32)cc1Cl 9376467 YDSYEBVONYKUJA-UHFFFAOYSA-N 377.275 4.742 0 40 GJAB COc1ccc(-c2noc(CSC3=Nc4ccccc4CS3)n2)cc1OC 9512784 UPLPOXMUPKZDME-UHFFFAOYSA-N 399.497 4.922 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)c(C)c1 10446313 VIYJCLHEEGAFTJ-UHFFFAOYSA-N 377.893 4.946 0 40 GJAB CC(C)n1ncc2c(C(=O)Nc3cc(F)cc(F)c3)cc(-c3ccco3)nc21 11039044 GNUHBHVOQDHTNS-UHFFFAOYSA-N 382.370 4.803 0 40 GJAB CC1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2)CC1 11905307 SSFVIQJGNHYIKZ-JOCHJYFZSA-N 389.499 4.545 0 40 GJAB CCn1c(-c2c(C)oc3ccccc23)cs/c1=N/S(=O)(=O)c1ccccc1 12042045 LJIHKSJWTOJTQV-QZQOTICOSA-N 398.509 4.581 0 40 GJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2c(C)[nH]c3ccc(C)cc23)CC1 12330661 DPNSVLWVNCGBPU-UHFFFAOYSA-N 393.506 4.551 0 40 GJAB Cc1cccc(OCCCNC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1 12397764 WUSNTGZWMGGHIR-UHFFFAOYSA-N 384.476 4.541 0 40 GJAB Clc1cc(Cl)c2nnc(SCc3cc(Cl)c4c(c3)OCO4)n2c1 12723075 ANZGGXWEDZVANG-UHFFFAOYSA-N 388.663 4.711 0 40 GJAB O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc(F)c(F)cc1Cl 12749023 DCERVDJSXYSOSL-UHFFFAOYSA-N 383.675 4.951 0 40 GJAB Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)n1C 12776101 PKEODOSTNHGTJG-CQSZACIVSA-N 398.532 4.800 0 40 GJAB Clc1ccc(-c2noc(CN3CCC(c4nc5ccccc5o4)CC3)n2)cc1 12893311 WUCVYBIQWACENC-UHFFFAOYSA-N 394.862 4.911 0 40 GJAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(N2CCCC2=O)c1 12980823 FQHQENPDZDZADV-UHFFFAOYSA-N 397.887 4.843 0 40 GJAB COc1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC 12986178 ZMOVFPICZZPXSI-NSHDSACASA-N 398.286 4.852 0 40 GJAB Cc1cccc(NC(=O)Nc2ccc(Nc3ccc(-n4ccc(C)n4)nn3)cc2)c1 13009908 XNOCMXQYPYCBEO-UHFFFAOYSA-N 399.458 4.667 0 40 GJAB Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)Nc1cccs1 13709025 OHXGSRBJSJXPEF-UHFFFAOYSA-N 390.468 4.708 0 40 GJAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c(Br)c1 14207027 OHVJYMIOHUIKQY-UHFFFAOYSA-N 386.249 4.732 0 40 GJAB O=C(CC[C@H]1Cc2ccccc2NC1=O)N[C@@H](Cc1ccccc1)c1ccccc1 14237028 BNQTTXZKRYADEE-UPVQGACJSA-N 398.506 4.678 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)c1 15630888 AMNZQCVJFHQZMM-UHFFFAOYSA-N 397.525 4.539 0 40 GJAB Clc1cccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)c1 17200385 JFGSVAPXJSIQRG-UHFFFAOYSA-N 390.878 4.813 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)/C(=C/c1ccco1)c1ccccc1 20108044 KCMJOLCPNAIJRW-CJLVFECKSA-N 383.451 4.631 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1ccccc1F 27390428 ACMKEEGCJODXER-UHFFFAOYSA-N 376.790 4.854 0 40 GJAB CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1 27664505 UUQXPUIKCGLFEU-NRFANRHFSA-N 386.923 4.696 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30938705 OKEOLCWRQWFMRF-AWEZNQCLSA-N 381.278 4.983 0 40 GJAB O=C(Nc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1)c1cccs1 31069404 MXGRYTMIKYUJEZ-UHFFFAOYSA-N 376.481 4.805 0 40 GJAB Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 32762280 RVPRUSNEGICKKR-IBGZPJMESA-N 399.947 4.825 0 40 GJAB CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1N1CCCCC1 35673456 PAUHVYWRDLZIHF-UHFFFAOYSA-N 378.409 4.532 0 40 GJAB CC(C)(C)[C@H](NC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccs1 40150614 ZKXCAFPASUFKAX-GOSISDBHSA-N 385.533 4.893 0 40 GJAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1nnc(Cc2ccccc2)s1 43362838 SANZPMIGOZZCMH-OAHLLOKOSA-N 384.530 4.732 0 40 GJAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44932897 FSDONOWWWAUSTK-DENIHFKCSA-N 382.935 4.746 0 40 GJAB Cc1cccc(N(Cc2ccccc2)C(=O)CN2CCC[C@H]2c2cc(C)no2)c1 48324633 YTGLUNIHEVXBOQ-QFIPXVFZSA-N 389.499 4.662 0 40 GJAB C[C@H](NC(=O)NCc1cccc(CN2CCCC2)c1)c1ccc(F)c(Cl)c1 58167150 ADCRHOKKIFCEQP-HNNXBMFYSA-N 389.902 4.635 0 40 GJAB O=c1c2ccccc2nc(SCCc2ccccc2)n1Cc1ccc(F)cc1 67259247 WFJLKOYPHNIQCB-UHFFFAOYSA-N 390.483 4.919 0 40 GJAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccccc4)c(C)c3s2)n1 72228574 SDURWSCLLZQYDR-UHFFFAOYSA-N 376.485 4.968 0 40 GJAB O=C(c1ccc2ccccc2n1)N1CCC(COCc2ccc(Cl)cc2)CC1 77099676 AUJFUZKQUJPLBS-UHFFFAOYSA-N 394.902 4.957 0 40 GJAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1C 84177741 GCNVAMGZSGTQDO-NRFANRHFSA-N 378.516 4.809 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 85400772 RBUGJBYOOFCPFS-UHFFFAOYSA-N 398.528 4.880 0 40 GJAB O=S(=O)(Nc1ccccc1)c1nc(-c2ccccc2)oc1-c1ccccc1 94992779 QENCVVBVMFPJID-UHFFFAOYSA-N 376.437 4.809 0 40 GJAB COc1ccc(-c2csc(C3=C(O)CN(C4CCCCC4)C3=N)n2)cc1OC 102729515 HYTDOGIDUHKOPT-UHFFFAOYSA-N 399.516 4.722 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 109003939 WOPGOWKVFAXVJB-GIYDNNGJSA-N 381.520 4.734 0 40 GJAB COc1cc(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc(OC)c1OC 163629640 UDXFMQGPRWZZAN-UHFFFAOYSA-N 388.851 4.941 0 40 GJAB O=C(Nc1ccccc1-c1cn2ccsc2n1)c1ccc(C(F)(F)F)nc1 206894618 LFTRFHUTCOSLST-UHFFFAOYSA-N 388.374 4.729 0 40 GJAB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc3c(c1)CCCC3)CC(C)(C)O2 222576466 UEVFWRKCFLLVFI-OAQYLSRUSA-N 379.500 4.671 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(CN2CCCCC2)cc1 224535520 PPJSIOREZGKLBW-DEOSSOPVSA-N 394.559 4.763 0 40 GJAB CCOCc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OCC 224692819 FXYZSHMQSQFFGW-UHFFFAOYSA-N 382.287 4.859 0 40 GJAB O=C(COc1ccccc1)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1 225334775 DIAJYVUHJCCJHV-UHFFFAOYSA-N 387.464 4.890 0 40 GJAB COc1ccc(OC[C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1 225342524 BLBZWAPRPSAGAQ-ZDUSSCGKSA-N 382.287 4.518 0 40 GJAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(F)c4)OCC[C@@]31C2 257249474 JINVFPKXFFTTBS-GDSVCOIWSA-N 377.475 4.619 0 40 GJAB COc1cc(NC(=O)c2ccc(F)cc2)ccc1NC(=O)c1ccccc1Cl 408623224 SBXCTCLEAVOSTB-UHFFFAOYSA-N 398.821 4.992 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccccc2C)cc1 408693835 FRRVHDVPYJXYEG-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)cc1 409108010 UHRYBSIWWOCMOU-UHFFFAOYSA-N 380.517 4.640 0 40 GJAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(Cl)cc3)n2C)cc1 409197257 ZWCPJLVOEIQTNR-XDOYNYLZSA-N 386.904 4.855 0 40 GJAB O=C(NC(=S)Nc1ccc(OCc2ccccc2F)cc1)c1ccccc1 675031608 ULBCPSVLPPXRJW-UHFFFAOYSA-N 380.444 4.532 0 40 GJAB Cc1ccc2cccc(NC(=O)N3CCCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)c2n1 1659020322 AWBFXLYVWGVXDP-OBUJGBQQSA-N 381.520 4.727 0 40 GJAB COc1cccc(CN2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)c1Cl 1888860339 AZVMGWXSAOZIJU-HOTGVXAUSA-N 388.943 4.606 0 40 GJAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(C(=O)OC)cc1 702211 KIPKAWJHTVOPMC-UHFFFAOYSA-N 398.846 4.904 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1C1CCCCC1 793593 DPHUWIVGQOBOAU-UHFFFAOYSA-N 378.929 4.730 0 40 GJAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc(Cl)ccc1Cl 869748 XEJWVRVSFARMIC-UHFFFAOYSA-N 392.208 4.726 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1048259 LWZHYKVXHOMRTA-UHFFFAOYSA-N 393.283 4.994 0 40 GJAB COc1ccccc1NCC(=O)n1nc(-c2ccccc2)cc1-c1ccccc1 1083968 MVQQIXITEWOMIM-UHFFFAOYSA-N 383.451 4.978 0 40 GJAB CC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1c1ccc(N(C)C)cc1 2224508 DIRMVUNPEOPZFD-QFIPXVFZSA-N 390.512 4.742 0 40 GJAB aggregator COc1ccc(Cn2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)cc1 2253032 ZDICRHQGBJHMLF-UHFFFAOYSA-N 396.450 4.712 0 40 GJAB CCc1ccc(CCC(=O)Nc2nc3ccc(Br)cc3s2)o1 2706939 NNDOIQCEZRRXEW-UHFFFAOYSA-N 379.279 4.786 0 40 GJAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1cccc(Cl)c1 3026505 WIZIZWQMRLLCJB-UHFFFAOYSA-N 388.858 4.904 0 40 GJAB CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O 3196992 VXABIISWONKXHS-UHFFFAOYSA-N 387.435 4.987 0 40 GJAB COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2)ccc1OC(F)F 3266823 ZTFZTRLQPQLHIA-YCRREMRBSA-N 398.203 4.711 0 40 GJAB O=C(OCc1csc(-c2ccccc2)n1)c1ccc(OC[C@@H]2CCCO2)cc1 3312183 LCPQQBRKSHYAGY-FQEVSTJZSA-N 395.480 4.725 0 40 GJAB CCCCCn1c(=S)[nH]c2cc(C(=O)Nc3ccccc3F)ccc2c1=O 3631135 ARCDJLJLKCXOKL-UHFFFAOYSA-N 385.464 4.641 0 40 GJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1Cc1ccccc1 4033501 HGEIHTWJZIFYQN-HXUWFJFHSA-N 399.469 4.740 0 40 GJAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)cc1 4287784 AJTGLLMEYPIMLV-LBPRGKRZSA-N 387.892 4.508 0 40 GJAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccc(F)cc1F 4355615 BHJIANGWHVTHQU-UHFFFAOYSA-N 391.830 4.806 0 40 GJAB CCCCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccco1 4861124 YVKVKZUBDABJRY-UHFFFAOYSA-N 384.505 4.631 0 40 GJAB CCc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)cc1 4948178 WKDVAJISFAPBHE-HNNXBMFYSA-N 395.528 4.659 0 40 GJAB COC(=O)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1 4970920 SKPANYSBHJDMJJ-UHFFFAOYSA-N 390.464 4.790 0 40 GJAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N[C@H]1CCCc2ccccc21 4987423 PKTIOBGIXAJGFU-ACJLOTCBSA-N 397.475 4.550 0 40 GJAB C=CCn1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 6295897 MEDFLHCBBDDENU-LDADJPATSA-N 377.831 4.578 0 40 GJAB CCCCOC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 6592489 UGBCXJOGUBROJF-HNNXBMFYSA-N 388.471 4.733 0 40 GJAB Cc1ccc(NC(=O)c2c(C)noc2NCc2ccc3c(c2)OCO3)cc1Cl 6668673 VGDBZCCRWYTDDT-UHFFFAOYSA-N 399.834 4.538 0 40 GJAB O=C1COc2ccc(-c3csc(Nc4ccc(F)c(Cl)c4)n3)cc2N1 6671324 VBAKLCNPIFERMU-UHFFFAOYSA-N 375.812 4.677 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)cc1 6811383 IMXLJSNQYHBUIX-UHFFFAOYSA-N 393.439 4.619 0 40 GJAB Cc1ccc(-n2nc(C)c(NC(=O)COc3ccc(F)cc3Cl)c2C)cc1 7107628 CLZJFZKCWQJVMC-UHFFFAOYSA-N 387.842 4.608 0 40 GJAB CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(C)s2)cs1 7192490 ZBNBDBPELRBPCO-UHFFFAOYSA-N 390.559 4.842 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1ccc(Cl)cc1 8051201 RBTQDARURNZCMS-KRWDZBQOSA-N 381.900 4.686 0 40 GJAB Cc1[nH]c(S[C@H](C)C(=O)NCCC2=CCCCC2)nc1Cc1ccccc1 8706525 HDTNBEFXWMITNJ-QGZVFWFLSA-N 383.561 4.796 0 40 GJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 9346948 JEFLUSNKVKTYAF-NSHDSACASA-N 375.906 4.978 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)c3cccc(C)c3C)cc2c1 9424896 HIGPABBMZAFLKD-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB COc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccccc2Cl)ccc1O 9481252 GJUWSXWDWYFQBM-ZDUSSCGKSA-N 383.835 4.672 0 40 GJAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(OC[C@H]2CCCO2)cc1 9582778 RPFKGAIRMKXCEH-NHCUHLMSSA-N 385.891 4.779 0 40 GJAB CCCCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C 11565956 GBYMSUBFJUPCLO-UHFFFAOYSA-N 398.322 4.737 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 11656704 XXRUMRRSWYQWDV-CYBMUJFWSA-N 391.471 4.512 0 40 GJAB Cc1ccc(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 11667271 JYZVRMGVVXCBMY-KRWDZBQOSA-N 389.455 4.508 0 40 GJAB Cc1occc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 12372511 KQDKUQVZABNEAJ-QFIPXVFZSA-N 394.902 4.789 0 40 GJAB O=C(Nc1ccc2c(c1)CCC2)c1cn(Cc2ccccc2)nc1-c1cccnc1 12567901 ZIZVPKWRWATQHK-UHFFFAOYSA-N 394.478 4.734 0 40 GJAB COc1cc(OC)c([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1OC 12571900 GZNYROBUUJSGNW-QHCPKHFHSA-N 387.439 4.702 0 40 GJAB COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c(OC)c1 12766906 SAWIYWICHKGRHQ-UHFFFAOYSA-N 394.452 4.504 0 40 GJAB COc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)ccc1OCc1c(C)noc1C 12805076 KPLMTMUJBFEIKK-YLJYHZDGSA-N 398.503 4.674 0 40 GJAB O[C@H](COc1c(Cl)cccc1Cl)CN1CC=C(c2ccccc2)CC1 12806476 SXCWIOADTLRJKG-KRWDZBQOSA-N 378.299 4.522 0 40 GJAB CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 12814019 JBYOUWGIULMHFA-UHFFFAOYSA-N 375.350 4.542 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 12897523 FWZWMWPZRVCRKZ-AWEZNQCLSA-N 387.439 4.698 0 40 GJAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc2ccccc12 12909845 YTFDVKQGLSHPEA-UHFFFAOYSA-N 390.527 4.891 0 40 GJAB Cc1nc(Cc2nnc(SCc3nc(-c4ccccc4)oc3C)o2)cs1 12912874 FZGHRIMNGGYCAU-UHFFFAOYSA-N 384.486 4.681 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCn1cnc2sccc2c1=O 12977890 HUQCECDUFDNGII-UHFFFAOYSA-N 383.517 4.734 0 40 GJAB Cc1cc(C(=O)N2CCCC[C@H]2c2ccccc2)c2c(C)nn(C(C)C)c2n1 17077054 MDWIJKMAUGLWIP-FQEVSTJZSA-N 376.504 4.996 0 40 GJAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 19334351 GWPAMYFEIJAQHI-FKBYEOEOSA-N 398.547 4.504 0 40 GJAB C[C@@H](c1ccccc1)N(Cc1cccnc1)C(=O)Cc1ccc2c(c1)CCCO2 19459447 WBJGEQBPUGRMFV-IBGZPJMESA-N 386.495 4.739 0 40 GJAB Cc1ncc(CN2CC[C@H](c3cc(COc4ccc(C(C)C)cc4)[nH]n3)C2)s1 19704296 RNTPQUWLIAYVHV-SFHVURJKSA-N 396.560 4.867 0 40 GJAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)CCc1nc2cc(Cl)ccc2n1C 19714218 SKBDRPBEESLZOQ-GOSISDBHSA-N 387.886 4.908 0 40 GJAB COc1ccc(-c2c/c(=N\[C@@H](C(=O)O)C(C)C)c3cc(C)cc(C)c3o2)cc1 19793973 JNYUDRRTZBSFGC-QBHDBVHESA-N 379.456 4.735 0 40 GJAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccc(F)cc1)C3 19882489 XVLYKJZIMLJZSW-UHFFFAOYSA-N 387.838 4.543 0 40 GJAB COc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC 20043178 FDJXVESYRWROGG-STQMWFEESA-N 379.909 4.715 0 40 GJAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(C)cc5)c4ncn3n2)cc1 21801185 KTXZMTGGXPKGJL-UHFFFAOYSA-N 383.455 4.669 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c(Cl)c1 22514277 LFUXBPGJRWSBAB-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 23864458 PSPZKFZIQCFSML-VIFPVBQESA-N 386.757 4.527 0 40 GJAB CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccc2)n(C)c1=S 24177801 SGLXDGZTCXQGLH-UHFFFAOYSA-N 378.954 4.813 0 40 GJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 24776539 LPKBANONLORVIO-WKOYGUFESA-N 388.467 4.792 0 40 GJAB Cc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)nc1 25388678 JSQIVDLGSOIMCN-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB O=C(CCc1cccs1)N1CCc2[nH]c3ccc(Br)cc3c2C1 25549684 HNBVUGKRTGTORL-UHFFFAOYSA-N 389.318 4.509 0 40 GJAB CCc1ccc(Cn2nccc2NC(=O)c2c(-c3ccccc3)noc2C)cc1 29766177 QVJJZSDSNXTRJD-UHFFFAOYSA-N 386.455 4.710 0 40 GJAB COc1ccc(-c2csc(NC(=O)CCC(=O)c3ccc(C)s3)n2)cc1 32727225 SAGHBTHXIFVYJJ-UHFFFAOYSA-N 386.498 4.790 0 40 GJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1F)O[C@H](C)C2 32854024 GLJIJKKUWKARNG-VXGBXAGGSA-N 392.858 4.640 0 40 GJAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc(O)nn3)cc2)cc1 32981778 WWXMXBZSHUUVAT-UHFFFAOYSA-N 377.444 4.914 0 40 GJAB COCc1c(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)oc2ccccc12 39995727 UAEOGFDPIKSXPM-UHFFFAOYSA-N 395.846 4.730 0 40 GJAB COc1cc([C@@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc(OC)c1OC 40266190 FMIUIGFZLVVNON-AWEZNQCLSA-N 396.468 4.960 0 40 GJAB Cc1ccccc1CN(CCCn1ccnc1)Cc1cc2c(cc1Cl)OCO2 43277690 RBDQFLKQKADKAY-UHFFFAOYSA-N 397.906 4.666 0 40 GJAB O=C(NCC1CCCCC1)c1ccc(SCc2cn3ccccc3n2)cc1 46551714 OLYKNSLFYPCGJL-UHFFFAOYSA-N 379.529 4.937 0 40 GJAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1c(Cl)nc2ccccn12 47250219 ZWPZOXHRBRWHAN-INIZCTEOSA-N 385.851 4.708 0 40 GJAB CC[C@@H]1CCCCN1C(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486737 SOEMMIKWOCLUGO-QGZVFWFLSA-N 398.894 4.650 0 40 GJAB Cc1ccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(C)c(C)c2)cc1 59502197 ZMVDPOPMORFRFK-UHFFFAOYSA-N 398.462 4.512 0 40 GJAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2cccc3cccnc23)cc1 60656623 RMDATXFQOZONBF-UHFFFAOYSA-N 388.496 4.768 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2ccncc2)cs1 61718950 VIDPLVLLVPRUKA-UHFFFAOYSA-N 378.482 4.889 0 40 GJAB FC(F)(Cl)[C@](F)(Cl)[C@@](F)(Br)C(F)(F)Br 64370155 FCMYQABQAFPAEV-LWMBPPNESA-N 392.746 4.771 0 40 GJAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 65322219 NMOIQTWRWYZEFZ-UHFFFAOYSA-N 394.494 4.824 0 40 GJAB O=C(c1cnc2ccc(F)cc2c1NCCc1cccs1)N1CCCCC1 67288520 KFBLAQKUWOYWDE-UHFFFAOYSA-N 383.492 4.716 0 40 GJAB Cc1ccc([C@H](C)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)s1 72311362 UTYTYECNYHGVDM-HNNXBMFYSA-N 376.953 4.594 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nc(C)cs2)C12CCCC2 72400694 ASTMFKVTRYEGOJ-MAUKXSAKSA-N 397.544 4.741 0 40 GJAB CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1ccccc1CN(CC)C(C)=O 79104979 NDRAAOCYFGPPJI-QFIPXVFZSA-N 395.547 4.930 0 40 GJAB O=C(Cc1cccc2ccccc12)N1CCC(CSc2ccccn2)CC1 90608038 SYWSGQKSDDGCOR-UHFFFAOYSA-N 376.525 4.808 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3ccc4nnc(C(F)F)n4c3)sc2C)cc1 95965841 UNLNBSKFECGUMW-UHFFFAOYSA-N 399.426 4.660 0 40 GJAB Cc1ccc(C2=C[C@H](c3ccc(OCc4ccccc4)cc3)n3nnnc3N2)cc1 101229485 FIBVDJOVVUHOIC-HSZRJFAPSA-N 395.466 4.617 0 40 GJAB Cc1ccc2cc(COC(=O)C34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)c(Cl)nc2c1C 102408822 LSVBLVFRZCLGBG-MTPGRUBUSA-N 399.918 4.880 0 40 GJAB CSc1nc2n(n1)[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(O)CCCC1=N2 102576033 JTGOETPYWLZFLH-AWEZNQCLSA-N 381.288 4.978 0 40 GJAB Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3)sc2c1 103159614 PTTZGSPKOUXGIM-IQGAEYHTSA-N 386.476 4.583 0 40 GJAB CC1(C)C[C@]2(c3ccccc3)C[C@@H](c3ccccc3)[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)O 104260415 WAFGKPZUKLMZJF-MAEPKYQWSA-N 378.468 4.560 0 40 GJAB S=C(c1ccc(OCc2ccc(Br)cc2)cc1)N1CCCC1 107931244 PNAOAJXAPWIHBT-UHFFFAOYSA-N 376.319 4.799 0 40 GJAB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(C(=O)/C=C/c2cccc(F)c2)c2ccccc21 195529718 AZZXXUGEKOQVPT-YPBSGQMNSA-N 394.490 4.663 0 40 GJAB Cc1ccc(N2CCC(C(=O)NCCSCc3cccc(C)c3)CC2)cc1 219853628 LQJBYACECQCCAH-UHFFFAOYSA-N 382.573 4.569 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 222930888 UPEVESMPBNPRIX-SFTDATJTSA-N 394.519 4.640 0 40 GJAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCCCc2ccc(F)cc2)cn1 223968876 UAAFNCATJYXGGL-MRXNPFEDSA-N 386.540 4.519 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NCCCSc2ccc(C)cc2)c1 225588222 DWQFGHOCFMDMHQ-UHFFFAOYSA-N 388.558 4.641 0 40 GJAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225737963 LLOIASADDIGDDY-QGZVFWFLSA-N 386.373 4.547 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cccc4c3CCCC4)s2)cc1 225857555 DDYIOESTVZSNDC-OAHLLOKOSA-N 393.512 4.798 0 40 GJAB COc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cn1 225874819 UXKUDVNPWJSXOV-UHFFFAOYSA-N 395.450 4.865 0 40 GJAB CCOc1cc(C(=O)Nc2cccc(F)c2)cc(Br)c1OCC 408557074 MSNORBSJZXKSBS-UHFFFAOYSA-N 382.229 4.638 0 40 GJAB COc1cc(CNc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 409109689 JIWIMPFCIDQRSQ-UHFFFAOYSA-N 397.496 4.692 0 40 GJAB O=C(CCSc1ccccc1)NC[C@@H](O)c1ccc(-c2ccsc2)s1 675008310 QGCVLFLBVKCPEJ-MRXNPFEDSA-N 389.567 4.809 0 40 GJAB COc1ccc(Cl)cc1CN(C)c1nc(-c2ccncc2)nc2ccccc12 1642036725 TYFXHFYLOCYJAK-UHFFFAOYSA-N 390.874 4.990 0 40 GJAB CCOc1ccc2cc3c(N)c(C(=O)Nc4ccc(C)cc4)sc3nc2c1 891592 OMJRKENAOKKTCN-UHFFFAOYSA-N 377.469 4.991 0 40 GJAB Cc1ccccc1-n1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O 1294053 SQWDKURBPTVTBL-UHFFFAOYSA-N 386.476 4.669 0 40 GJAB CCc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN31)C(=O)N2 1407922 RKENTDBSUSWXHA-RCZVLFRGSA-N 395.462 4.598 0 40 GJAB Fc1ccccc1COc1ccc(-c2nnn(Cc3ccc(Cl)cc3)n2)cc1 1445826 OMESVSMXAVUEQN-UHFFFAOYSA-N 394.837 4.760 0 40 GJAB Cc1cc(C(F)F)nc2sc(-c3nc(-c4ccc(F)cc4)no3)c(N)c12 2736018 VYBPTKBHMHHRDX-UHFFFAOYSA-N 376.363 4.981 0 40 GJAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 3241076 YWGSSRNDUSQHHV-UHFFFAOYSA-N 387.151 4.508 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1cn(-c2ccccc2)nc1-c1cccs1 3420007 ZEZUYNHRMWBYJY-UHFFFAOYSA-N 389.436 4.582 0 40 GJAB CN(Cc1ccccc1NS(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 3441898 ZFERDBZBDNFPDS-UHFFFAOYSA-N 398.981 4.967 0 40 GJAB O=C(CN1C(=O)C[C@@H](c2ccco2)Sc2ccccc21)Nc1cccc(F)c1 4162837 RYLUZLLJVMPDIU-IBGZPJMESA-N 396.443 4.628 0 40 GJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1c(C)cccc1C)OCO3 4849537 RHBLTBKCZOFNQZ-UHFFFAOYSA-N 394.496 4.874 0 40 GJAB O=C(Oc1ccccc1Cl)C1=C(C(=O)Oc2ccccc2Cl)CCC1 4972388 WQEOJKWUNYPDMZ-UHFFFAOYSA-N 377.223 4.985 0 40 GJAB Cc1cccc(C)c1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 5147332 CSQGWHUDAYJLDE-UHFFFAOYSA-N 379.460 5.000 0 40 GJAB O=C(Cc1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 5264560 IJMWKONGJIMBBQ-UHFFFAOYSA-N 395.434 4.745 0 40 GJAB CC[C@@H](C)Cn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 5455038 VQVTVPLYBOPDBM-IAGOWNOFSA-N 377.488 4.612 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc2c(c1)OCCO2 6216888 GLWMINXXXYAPEN-UHFFFAOYSA-N 392.480 4.712 0 40 GJAB Cc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1Cl 6503812 ZJTLFBYQZQYCBX-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(N(CC)CC)c(Br)c2)C1=O 6629554 XBKGXHPERLIWEI-RVDMUPIBSA-N 397.338 4.742 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2cnc(Cl)c(Cl)c2)cc1OCC 6652271 PVWZCTUUWSYNMD-LLVKDONJSA-N 383.275 4.677 0 40 GJAB CCOc1ccccc1-c1nc(O)c2c(n1)Oc1ccc(Br)cc1C2 6748532 USUHWTZZNJDWDP-UHFFFAOYSA-N 399.244 4.707 0 40 GJAB Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 6966366 ZTLXCPHDGHMZAP-KRWDZBQOSA-N 388.964 4.786 0 40 GJAB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O 8109154 SCGQMIMIOVRQDC-VGOFMYFVSA-N 396.251 4.949 0 40 GJAB Cc1csc(N(C(=O)c2cc(Cl)c3c(c2)OCCO3)c2ccccc2)n1 8341171 LPENQBYRGFSPMD-UHFFFAOYSA-N 386.860 4.855 0 40 GJAB COc1c(Br)cc(Br)cc1CNCc1ccccc1 8469525 HEOPFLJIYRQSOH-UHFFFAOYSA-N 385.099 4.510 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)sc(C)c1C 8612271 ZRRRMLQKNZLVAE-UHFFFAOYSA-N 399.468 4.517 0 40 GJAB Cc1[nH]c(S[C@@H](C)C(=O)N2CCCc3ccccc32)nc1Cc1ccccc1 8724978 UMTVISIOTVVUTD-KRWDZBQOSA-N 391.540 4.769 0 40 GJAB CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 8903223 YQYOUTPMUWIPRH-FMIVXFBMSA-N 380.469 4.905 0 40 GJAB CC(C)Cc1ccc([C@H](C)c2nn3c(=O)c(-c4ccccc4)nnc3s2)cc1 9483637 LDWJOILEKMWBKV-HNNXBMFYSA-N 390.512 4.563 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)c1 10030673 GTHRJASIFOHWID-QFIPXVFZSA-N 392.499 4.872 0 40 GJAB Cc1ccc(-c2c(C)sc3nc(CN4CCc5ccccc54)[nH]c(=O)c23)cc1 12617050 MAQPJIPTCAFHHQ-UHFFFAOYSA-N 387.508 4.831 0 40 GJAB CCCCn1c(SCc2cn3cc(Cl)ccc3n2)nc2ccccc2c1=O 12624000 UDIWQVJJCWVGOF-UHFFFAOYSA-N 398.919 4.790 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 12745171 RXDCTSDDKJMBMA-FQEVSTJZSA-N 393.314 4.990 0 40 GJAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cnc21 12907255 PWIXDMDBNVOUIK-NSHDSACASA-N 377.275 4.810 0 40 GJAB Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2cc(C)cc(C)c2)cc1 12942386 BMPDQZZAWMYYMA-UHFFFAOYSA-N 388.467 4.773 0 40 GJAB COc1cc(/C=C/C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc(OC)c1OC 12977033 TWHHINMRERHSLR-AUECHBEKSA-N 395.455 4.691 0 40 GJAB COc1cccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c1 13004023 WROQWNCTHYGKLG-UHFFFAOYSA-N 383.451 4.859 0 40 GJAB C[C@H](NC(=O)c1cccs1)c1nc2ccccc2n1Cc1ccccc1F 13582017 RLFWQMOGTDTNOA-AWEZNQCLSA-N 379.460 4.776 0 40 GJAB COc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(C)c2)c1 13770345 OOWYGFVGXCOBIK-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)c1ccc(F)cc1F 15356155 WEFMGRMYIDHENF-LLVKDONJSA-N 376.403 4.647 0 40 GJAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)n1 19286845 OBLAYYYNEKMJPU-QGZVFWFLSA-N 392.890 4.520 0 40 GJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3Cc3ccccn3)cc2N1 19451296 PPQIESSCKGCQRH-RYQLBKOJSA-N 393.457 4.559 0 40 GJAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)C2CCCC2)n1 19694449 KCSUBUVYVCMDEX-FQEVSTJZSA-N 396.510 4.593 0 40 GJAB Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4O)nc32)c1C 21801731 UKHXXSKCNGFQIT-UHFFFAOYSA-N 383.455 4.674 0 40 GJAB CN(Cc1ccc(Cl)cc1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 23038258 QDXANAYSZZYOKA-UHFFFAOYSA-N 395.915 4.937 0 40 GJAB C[C@@H](NCc1nc2c(oc3ccccc32)c(=O)[nH]1)c1ccc(Cl)cc1Cl 24808401 QHXVDKWIGKJOEM-SNVBAGLBSA-N 388.254 4.827 0 40 GJAB FC(F)Oc1ccc2ccccc2c1CNC[C@@H](c1ccco1)N1CCCC1 25357646 OZQSCGAJTNNDEL-IBGZPJMESA-N 386.442 4.961 0 40 GJAB O=C(CSc1noc(-c2ccc(Br)cc2)n1)c1ccc(F)cc1 28527306 NFCPWVVHSHIJAI-UHFFFAOYSA-N 393.237 4.613 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1ccc(Cl)cc1 30752073 QTHUYHJNKYTLMG-GOSISDBHSA-N 377.937 4.855 0 40 GJAB O=C(NCc1ccc(F)cc1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 30988010 LFDZIJOJOZYYGW-NRFANRHFSA-N 387.458 4.938 0 40 GJAB CN1CCC[C@@H]([N+]2=N[C@H](Cc3ccc(Cl)cc3)c3ccccc3C2=O)CC1 35024250 NOQDKYGQBYLUST-WIYYLYMNSA-N 382.915 4.727 0 40 GJAB O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1-c1ccccc1 35564111 BLBBZWZUODWXDP-UHFFFAOYSA-N 380.419 4.956 0 40 GJAB Cc1cccc2sc(NC(=O)CSc3nc4cc(Cl)ccc4[nH]3)nc12 36235177 RWYYPVJPQKRNKU-UHFFFAOYSA-N 388.905 4.865 0 40 GJAB CC(C)NC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 36618410 XTZRTMIDUZFYQE-UHFFFAOYSA-N 375.403 4.834 0 40 GJAB COc1ccc(CN(C)C(=O)c2ccccc2OCc2ccccc2)cc1OC 38754209 YSGWHMJMPPLOIN-UHFFFAOYSA-N 391.467 4.555 0 40 GJAB COc1cc2c(cc1NC(=O)COCCOc1ccccc1)oc1ccccc12 40128537 XKLZGXXACQFDKX-UHFFFAOYSA-N 391.423 4.629 0 40 GJAB CC(C)c1noc(CCCC(=O)Nc2nc(-c3c(F)cccc3F)cs2)n1 40133863 YAYTURGDKDJJPB-UHFFFAOYSA-N 392.431 4.556 0 40 GJAB Cc1ccccc1C[C@H](C)NC(=O)c1cccc(OCc2c(C)noc2C)c1 40155943 NZHJDKBSRAFZRY-INIZCTEOSA-N 378.472 4.540 0 40 GJAB O=C(CCC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)c1ccc(Cl)s1 41817503 REGVGGMBYYFLHJ-UHFFFAOYSA-N 399.903 4.557 0 40 GJAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 44946226 MWUFZFXPUATRLB-MRXNPFEDSA-N 383.469 4.527 0 40 GJAB CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 47395515 UAUHTVKSSBFQJV-UHFFFAOYSA-N 392.286 4.550 0 40 GJAB COC(=O)Nc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccco2)cc1 47584011 MUPMTMISLKTMPB-UHFFFAOYSA-N 379.416 4.692 0 40 GJAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1F 67295491 JCDRLQXSYDOMBO-DAFNUICNSA-N 396.805 4.981 0 40 GJAB Clc1ccc(Cl)c(-c2nn3c(CN4CCCCCC4)nnc3s2)c1 71260588 IFHCFLCEXVUUBT-UHFFFAOYSA-N 382.320 4.536 0 40 GJAB CNc1ncccc1CN1CCC[C@H](c2cccc(-c3cccc(OC)c3)n2)C1 72350256 LJZVPZIRWYZCIP-IBGZPJMESA-N 388.515 4.574 0 40 GJAB CC(C)c1cnc(CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 89893513 LGGNYKYHOAYCMX-SJORKVTESA-N 377.529 4.552 0 40 GJAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(C(=O)c3ccccc3)cc1)n2C 100812014 JJIOBBKSVUJZJW-WCWDXBQESA-N 386.476 4.520 0 40 GJAB OC1=C2C(=Nc3nc(SCc4ccccc4)nn3[C@@H]2c2ccccn2)CCC1 102566925 ICEOESNMHYFSQK-LJQANCHMSA-N 389.484 4.637 0 40 GJAB CCCCCCC(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O 104259410 QPPNXFMBMTZHTE-UHFFFAOYSA-N 376.537 4.722 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)CC(C)(C)O2 219302922 OMGTULXROMLPEO-FXAWDEMLSA-N 397.515 4.806 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc2ccccc2c1 222837647 QJGURSMMDKCLMX-OAQYLSRUSA-N 375.468 4.946 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 223019845 FDLODFZUVVOVJQ-QGZVFWFLSA-N 396.270 4.885 0 40 GJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1C 224262756 OAZCTWFRLYUPPS-SFTDATJTSA-N 376.529 4.522 0 40 GJAB Cc1ccc(OCCNC(=O)c2cccc(OCc3ccccc3)c2)cc1C 224270998 WMNKOFHPAXORBL-UHFFFAOYSA-N 375.468 4.691 0 40 GJAB CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 224411509 RUIBWTRAOHIMJI-IFMALSPDSA-N 398.522 4.622 0 40 GJAB CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224980024 APUPGTFUIGMWEY-UHFFFAOYSA-N 376.330 4.931 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1C 225341530 RBZLXYAYWKDKKP-OALUTQOASA-N 381.516 4.533 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225378933 OPMJPHIQBBHPBM-JTQLQIEISA-N 394.283 4.918 0 40 GJAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1C 243895576 RRKKPGMTLFCDGM-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O 244320024 XHVCEFRPPWYAMX-QGZVFWFLSA-N 384.907 4.765 0 40 GJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CN(Cl)C[C@@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245241300 ZXLHRZRTZBQUAS-SELGYLMWSA-N 379.972 4.725 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]32)C1 253497771 BQIBBYLXJDSLIR-DNNYETPZSA-N 376.537 4.893 0 40 GJAB biogenic Cc1cccnc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257287232 PPCUOOPCAVOQSC-QGZVFWFLSA-N 395.890 4.642 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccccc2)sc2c1CCC2 408564151 SBIKZQMNBBMSLU-GFCCVEGCSA-N 375.515 4.533 0 40 GJAB COc1cc(C)c(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC 409067016 ITYZROZTDBSAOB-YVLHZVERSA-N 389.860 4.907 0 40 GJAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1Cl 409237730 LFOZGUIVTKQAQF-PILJQMSFSA-N 383.897 4.590 0 40 GJAB O=C(Nc1nc(-c2cccnc2Cl)ns1)c1ccc(C(F)(F)F)cc1 1277395278 JECCJKPNFYVBIP-UHFFFAOYSA-N 384.770 4.525 0 40 GJAB Cc1ccc2nc(-c3ccco3)cc(C(=O)N[C@H](C)Cc3ccc(O)cc3)c2c1 1622768566 AJEAGOHEGVBFFK-MRXNPFEDSA-N 386.451 4.870 0 40 GJAB Nc1nc(SCc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1-c1ccccc1 640435 DKAOWDKMIKCGGC-UHFFFAOYSA-N 378.284 4.618 0 40 GJAB COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc(Cl)cc1 866284 JMKHLMUPDCXOES-UHFFFAOYSA-N 389.904 4.729 0 40 GJAB CC(=O)N(CC[C@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccccc1 915659 ZQGNEOAQFLEKOW-HSZRJFAPSA-N 387.479 4.986 0 40 GJAB Cc1nc(OCc2ccccc2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 987287 FTVUNPXZBQPQSZ-UHFFFAOYSA-N 391.496 4.978 0 40 GJAB CCCCCCNC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2232780 QFFKLKLALBKAFE-UHFFFAOYSA-N 393.535 4.982 0 40 GJAB Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccs1 2264209 ZGFUJIKGAPXTMO-UHFFFAOYSA-N 386.546 4.572 0 40 GJAB Cc1nc2sc3c(N4CCCC[C@H]4C)ncnc3c2c2c1COC(C)(C)C2 2435421 JWRDZQFVEUYEQN-GFCCVEGCSA-N 382.533 4.778 0 40 GJAB O=C(NCc1cccc(Cl)c1Cl)c1c(C(F)(F)F)ccnc1Cl 2577961 YTFHGYQQJXYMCV-UHFFFAOYSA-N 383.584 4.991 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 3296060 GWAGUNKJQOPYHX-MDZDMXLPSA-N 387.357 4.934 0 40 GJAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(N2CCOCC2)cc1 3297640 HKMRGMBIEJQKCQ-UHFFFAOYSA-N 386.451 4.604 0 40 GJAB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)NC(=S)N1C1CCCCC1 3667739 ZYBCTJUPRPJOGD-ATVHPVEESA-N 386.904 4.990 0 40 GJAB Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(Cl)s3)nc2c1C 4359379 ROFJOLWOBGCQNC-UHFFFAOYSA-N 393.965 4.836 0 40 GJAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccc(Cl)c2Cl)o1 4487827 YFTQJWUTZVKUTQ-UHFFFAOYSA-N 388.210 4.675 0 40 GJAB CC[C@@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 4646554 COQHKTZHOMASHW-HCVBEMKVSA-N 386.561 4.517 0 40 GJAB O=C(CSCc1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 4691450 LIJNXKRHIGTEHM-UHFFFAOYSA-N 389.933 4.654 0 40 GJAB Clc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1 4734337 OHHDVODXJBZTJI-UHFFFAOYSA-N 378.819 4.565 0 40 GJAB CN1[C@H]2CC[C@@H]1C=C(N(CCc1c[nH]c3ccccc13)C(=O)c1ccccc1)C2 4866527 GRMDVEKHWGLKTF-RTWAWAEBSA-N 385.511 4.603 0 40 GJAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N[C@@H](C)C(C)C 4975638 ALOOIXLXIAJIJK-KRWDZBQOSA-N 390.483 4.528 0 40 GJAB CCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1 5017207 OORFJXYNZICBKM-UHFFFAOYSA-N 398.532 4.731 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C=C/c1cccc(Cl)c1 5018388 PNSAFPSIAFPWSP-SRXLTFOMSA-N 378.896 4.900 0 40 GJAB CCSc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 5241092 RSKQRPMBRHRFBG-UHFFFAOYSA-N 384.482 4.903 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)cc1C 6267294 XJJYDADSVQGPAV-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCC(Cc2ccccc2)CC1 6495870 UQFKQDSFZGMCBG-LJQANCHMSA-N 394.342 4.688 0 40 GJAB CC1(C)C[C@](CCNC[C@@H]2CCCO2)(c2cccc(C(F)(F)F)c2)CCO1 6668931 HXJJJRCIZANMKF-AZUAARDMSA-N 385.470 4.691 0 40 GJAB O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1ccc(F)cc1F 6818761 FLPQQVQOAIQUFO-UHFFFAOYSA-N 399.466 4.808 0 40 GJAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2cccc(C)c2)n1C 6839368 STDNBTQTKJQMQN-UHFFFAOYSA-N 394.544 4.646 0 40 GJAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1Cc1ccccc1 7278432 OIIXSGRRMYZWHT-UHFFFAOYSA-N 383.451 4.724 0 40 GJAB C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(Cl)cc1Cl 8303644 UCKVKVKBDAKANO-ZDUSSCGKSA-N 391.298 4.607 0 40 GJAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(Cc2ccccc2)C1 8475428 BVETYIMOUYCFRN-KRWDZBQOSA-N 384.435 4.573 0 40 GJAB Brc1ccccc1-c1nnc(SCc2nc3ccccc3o2)[nH]1 8574425 WLMPSKXRTAMBKZ-UHFFFAOYSA-N 387.262 4.668 0 40 GJAB COc1ccc(Nc2nc(NCC(C)C)nc3c2cnn3-c2ccccc2)cc1 9573559 WUOSIHPZTSBUDP-UHFFFAOYSA-N 388.475 4.636 0 40 GJAB COc1cccc(-c2nc([C@H]3Nc4ccccc4C(=O)N3C3CC3)cs2)c1 9616648 CZAYCCAZUCXESX-IBGZPJMESA-N 377.469 4.548 0 40 GJAB CCOc1cc(C(=O)Nc2ccc3scnc3c2)cc(OCC)c1OCC 10217548 OETFPCDOXKMPLO-UHFFFAOYSA-N 386.473 4.745 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1N1CCCC1 12561234 POISNOIWTTWLRO-INIZCTEOSA-N 394.544 4.528 0 40 GJAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(-c2ccccc2)cc1 12654992 USZJUWCCZQRVBN-UHFFFAOYSA-N 389.842 4.987 0 40 GJAB CC(C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)C4CC4)CC3)n2)cc1 12749398 ZIGMBAVHDKRSAV-UHFFFAOYSA-N 397.544 4.521 0 40 GJAB Cc1ccc(CCC2CCN(C(=O)c3ccc(C(F)(F)F)nc3O)CC2)cc1 12788328 IYJUAWZWHBXXMW-UHFFFAOYSA-N 392.421 4.599 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)NC1CCN(Cc2ccccc2)CC1 12822495 XJOCXWQHHSITRX-UHFFFAOYSA-N 391.540 4.513 0 40 GJAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 12974819 NEBGVPZHVVZJIX-KEDPEKRHSA-N 393.455 4.907 0 40 GJAB CCOc1ccc([C@@H]2CCCN2Cn2nc(NC(C)C)sc2=S)cc1 14187690 CXKYGQSLRJVZIM-INIZCTEOSA-N 378.567 4.688 0 40 GJAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cc(C)ccc3C)cs2)cc1 14189595 SBXBZUCTSXPHFV-INIZCTEOSA-N 380.513 4.855 0 40 GJAB Cc1ccc(OC[C@H](O)Cn2c(Cc3ccccc3C)nc3ccccc32)cc1 16903816 AHUCBOHARIHBSU-OAQYLSRUSA-N 386.495 4.684 0 40 GJAB Cc1sc(NC(=O)c2cccc(N3CCCC3=O)c2)nc1-c1ccc(F)cc1 18085936 UWWWJAGQLPSYDB-UHFFFAOYSA-N 395.459 4.637 0 40 GJAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C(N)=O)cc3)c2c1 21222069 DHIWLSCHPSRXPL-UHFFFAOYSA-N 381.435 4.561 0 40 GJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCNC(=O)c1ccsc1 24459513 YOJLONVBSKRNQH-LBPRGKRZSA-N 399.343 4.785 0 40 GJAB C[C@@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cc1F 25214007 FRLFZBYABOCVGR-SECBINFHSA-N 376.737 4.817 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2cc(OC)ccc2OC)cc1 30948449 YLOCCJMJYSCGDN-JOCHJYFZSA-N 397.515 4.789 0 40 GJAB Cn1cccc1[C@H]1CCCCCN1C(=O)COc1cc(Cl)ccc1Cl 32854590 ZCECEFNMLPZWBU-QGZVFWFLSA-N 381.303 4.855 0 40 GJAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2-n2cccn2)cc1OCC 32912894 JTEQPPYRQAIYKU-UHFFFAOYSA-N 399.878 4.966 0 40 GJAB O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)[C@H](CCO)S1 36633825 CPFMZAMZTISOIR-ROUUACIJSA-N 399.903 4.507 0 40 GJAB CC(C)(C)NC(=O)CC1(C(=O)OCc2ccccc2C(F)(F)F)CCCC1 36712851 IJEKMQFTKKIGCX-UHFFFAOYSA-N 385.426 4.614 0 40 GJAB Brc1ccc2c(Br)c(OC[C@@H]3CCCNC3)ccc2c1 42774537 BASYUXWPBYXJPQ-LLVKDONJSA-N 399.126 4.743 0 40 GJAB O=C(c1nc2ccccc2s1)N1CCC(Oc2nc3ccccc3s2)CC1 49028622 DNGMJIYNQBWHON-UHFFFAOYSA-N 395.509 4.590 0 40 GJAB Oc1nc(CN2CCc3sccc3[C@H]2c2ccccc2)nc2ccsc12 58175553 JSWQTRHYXRRDRT-GOSISDBHSA-N 379.510 4.606 0 40 GJAB Cc1cccc(CSCC(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1 58225627 ZKWIZDXWEYSAMJ-UHFFFAOYSA-N 394.540 4.974 0 40 GJAB C[C@@H](NC(=O)Cc1cccc2ccccc12)c1noc(-c2ccc(Cl)cc2)n1 79024793 HETDQGAEFBKTHA-CQSZACIVSA-N 391.858 4.963 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cc(C)ccn2)C12CCCC2 79484121 HEIYTSXNVQYONC-UTKZUKDTSA-N 391.515 4.679 0 40 GJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2nnc(C(F)F)n2c1 84350634 MUKLRZHHFPFBJA-UHFFFAOYSA-N 390.699 4.591 0 40 GJAB O=C(Nc1ccccc1N1CCCCC1)N[C@H]1CCCOc2ccc(F)cc21 84506045 RCBKVPCFBPKJNK-SFHVURJKSA-N 383.467 4.851 0 40 GJAB C[C@](O)(CNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccc(F)cc1 89900562 SVJBGCQAPJHYIS-GGAORHGYSA-N 395.499 4.683 0 40 GJAB C[C@@H](Sc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 96234443 LRRBBSMPTIOLBQ-CYBMUJFWSA-N 387.892 4.529 0 40 GJAB CCCCCc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 96402244 AUSKCTHUUPCZAK-UHFFFAOYSA-N 380.488 4.564 0 40 GJAB COC(=O)C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 118915899 FMACOWSJEUFNHK-LSERPTIFSA-N 388.548 4.545 0 40 GJAB O=C(CSCc1ccc(Cl)cc1F)Nc1nnc(-c2ccccc2)s1 223508087 YPZPYNCGQJQCLY-UHFFFAOYSA-N 393.896 4.870 0 40 GJAB Cc1cccnc1NC(=S)NCCSCc1ccc(Cl)c(Cl)c1 225346959 AZXCYVRDOIOWCJ-UHFFFAOYSA-N 386.373 4.917 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccc(OC)cc1 225490478 JFNDCNJGRPPRHJ-LJQANCHMSA-N 397.544 4.568 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(SC(C)C)s1 225729041 RHWZMSWQNJTAMT-ZDUSSCGKSA-N 385.942 4.797 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(Cl)cccc1Cl 408557516 NGGSCDUHDVZRNG-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB Cc1ccc([C@H](N[C@H](C)C2CC(F)(F)C2)c2cccc(S(C)(=O)=O)c2)cc1 529543330 UEEYYNVNSGMIQA-QRWLVFNGSA-N 393.499 4.511 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@H](C)c3ccncc3F)c12 585080254 UKHWJZMGEYGFIO-CYBMUJFWSA-N 397.498 4.643 0 40 GJAB CC(C)([C@H](NC(=O)CC1CCCCC1)c1ccc(F)c(F)c1)N1CCCC1 1521672521 LBYVQNBEPSIMAW-OAQYLSRUSA-N 378.507 4.967 0 40 GJAB C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 1675481771 RBXGSQZERAYESD-YOEHRIQHSA-N 379.932 4.573 0 40 GJAB Cn1cc(-c2ccc(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cn1 1889302530 ZLPBRDFACZWSCL-UHFFFAOYSA-N 389.286 4.758 0 40 GJAB O=C(c1ccc(F)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCO2 991522 MVRXAHKVPPBBSS-FQEVSTJZSA-N 388.398 4.546 0 40 GJAB CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(NC(C)=O)cc2)cc1 1102533 VDKPABSPZVHNPG-HSZRJFAPSA-N 385.467 4.979 0 40 GJAB Cc1ccc2cc(CN(C(=S)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 1224231 VLAYHGOMLNFHBS-UHFFFAOYSA-N 391.540 4.978 0 40 GJAB COc1cc(-c2ccc3cc(OC)c(OC)c(OC)c3c2)cc(OC)c1OC 1678641 HGKHSTXOENHPFT-UHFFFAOYSA-N 384.428 4.558 0 40 GJAB COC(=O)c1ccc(/C=C/C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 3306318 SVPLLIIKSMNXBQ-SAPNQHFASA-N 399.490 4.825 0 40 GJAB Cc1c(C(=O)OCC(=O)c2ccc(Br)s2)oc2ccccc12 3537324 QSYGBHAIUHMQAK-UHFFFAOYSA-N 379.231 4.605 0 40 GJAB O=C(c1c(F)cccc1F)N1C[C@H]2CCCN2c2ccc(C(F)(F)F)cc21 4051065 KYGCXQFFOYZMDN-GFCCVEGCSA-N 382.332 4.613 0 40 GJAB O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1cccc2ccccc12 4315055 SZVAHQXIUWAZTE-UHFFFAOYSA-N 384.483 4.534 0 40 GJAB Cc1ccc(C(=O)N(CCCN(C)C)c2nc3c(F)cccc3s2)cc1C 4359766 VUPLUCRIMCFWSV-UHFFFAOYSA-N 385.508 4.651 0 40 GJAB Oc1ccc(Br)cc1-c1nc2ncccn2c1Nc1ccccc1 4734132 JTGDKZREUIIMNX-UHFFFAOYSA-N 381.233 4.608 0 40 GJAB Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)c1 4784287 RLCOGUKMXBFSJO-SANMLTNESA-N 399.490 4.619 0 40 GJAB Cc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1 4816680 NZQBEVHEADFVJJ-UXHICEINSA-N 392.890 4.717 0 40 GJAB COc1ccc2c(CC(=O)Nc3cc(Cl)ccc3N3CCCC3)coc2c1 5200753 AOPQWELMHKQQPV-UHFFFAOYSA-N 384.863 4.876 0 40 GJAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc(OCc2ccccc2)c1 5937476 JCGNCSRPZWXWDO-UHFFFAOYSA-N 385.419 4.787 0 40 GJAB CC(=O)c1sc(NC(=O)CCOc2ccc(C)cc2)nc1-c1ccccc1 6235382 QXQVWAAHGVJTRJ-UHFFFAOYSA-N 380.469 4.729 0 40 GJAB COc1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)cc1 6405245 IPGPZUXWLKOVHB-HZHRSRAPSA-N 398.462 4.952 0 40 GJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(Cl)cc1 6752965 OLJFYTHJRGCGHJ-HXUWFJFHSA-N 381.863 4.781 0 40 GJAB C[C@@H](C(=O)Nc1cccc(Br)c1)N1C(=O)c2cccc3cccc1c23 6763194 SEQABABRGBPHLS-LBPRGKRZSA-N 395.256 4.590 0 40 GJAB Cc1n[nH]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1Cl 7602657 XUXCJCDUJMBTKA-UHFFFAOYSA-N 395.315 4.879 0 40 GJAB COc1ccc(CC(=O)N(Cc2ccco2)c2nc3c(C)cccc3s2)cc1 7614505 YLLWYQLPFAILAC-UHFFFAOYSA-N 392.480 4.982 0 40 GJAB Cc1ccc2cccc(OC(=O)c3ccc(OCc4c(C)noc4C)cc3)c2n1 7783562 FJXRJWCBGRJDGW-UHFFFAOYSA-N 388.423 4.946 0 40 GJAB Cc1cccc(Nc2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)s2)c1 8012546 VRJNRFGVBPCWBY-LBPRGKRZSA-N 395.513 4.680 0 40 GJAB CCN(CCO)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 8159529 DMBSKRDOEGJCFM-UHFFFAOYSA-N 388.511 4.666 0 40 GJAB Cc1sc2ncnc(OCC(=O)Nc3ccccc3-c3ccccc3)c2c1C 8232787 ZBLMMEDIJKEUPX-UHFFFAOYSA-N 389.480 4.993 0 40 GJAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C2CCCCC2)cc1 9281360 GOTOQWUVTIPGBH-UHFFFAOYSA-N 390.483 4.512 0 40 GJAB COc1ccc([C@H](NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)C(C)C)cc1 11052909 MKBJMXXNSPGRBH-VOIUYBSRSA-N 395.499 4.586 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(Nc3cc(OCC)nc(C)n3)cc2)cc1 11613253 OVAMLYMHCWYYGT-UHFFFAOYSA-N 392.459 4.578 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1cccnc1Sc1ccc(Cl)cc1 13137357 SWOSBQXWLYUCAZ-UHFFFAOYSA-N 384.844 4.867 0 40 GJAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccc(F)cc2)n1 13692933 APDHVUSENXPALP-CQSZACIVSA-N 393.487 4.720 0 40 GJAB CC(C)c1nc2oc3c(=O)n(Cc4ccccc4Cl)cnc3c2c2c1CCC2 13730154 LMTYUTZDBOZJBY-UHFFFAOYSA-N 393.874 4.852 0 40 GJAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2 14245801 FUIJPXRNZKWGSF-UHFFFAOYSA-N 394.563 4.647 0 40 GJAB CCc1nnc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(OC)cc2)(C4)C3)s1 15584970 UHIHHTRSXRLDCN-BXBLUCELSA-N 397.544 4.586 0 40 GJAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C)cc2C)o1 15881436 FWXMXLKXDPFTBT-UHFFFAOYSA-N 388.471 4.899 0 40 GJAB Fc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccncc2)cc1 16281939 GUQDTLGCHPXVCS-UHFFFAOYSA-N 376.460 4.803 0 40 GJAB CCCC(=O)Nc1nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2s1 17079195 NIOBQMIAPMZGPM-UHFFFAOYSA-N 387.892 4.870 0 40 GJAB Sc1nnc(-c2cc(-c3cccs3)nc3ccccc23)n1C[C@H]1CCCO1 17080673 CTUDLVJBIZJFHV-CYBMUJFWSA-N 394.525 4.690 0 40 GJAB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C 17577923 BRWLYWBFTINICB-XSFVSMFZSA-N 385.467 4.957 0 40 GJAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC(c2noc3cc(F)ccc23)CC1 19345265 YPNZMQJZNWAIJX-UHFFFAOYSA-N 381.382 4.607 0 40 GJAB CN(C)C1CCC2(CC1)CN(C(=O)CC1CCCCC1)Cc1ccccc1O2 19583981 DVUYWAPAEJETEZ-UHFFFAOYSA-N 384.564 4.621 0 40 GJAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCC(c4nc5ccccc5o4)CC3)c2c1 20724069 HDPBPKOPJXRPBJ-OAQYLSRUSA-N 389.455 4.623 0 40 GJAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCC3)no2)cc1 21805534 HNRGMXGNCOACBP-JOCHJYFZSA-N 389.499 4.525 0 40 GJAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nncn2-c2ccccc2)c(Cl)c1 22942700 VWCFWTFIHCGISG-AWEZNQCLSA-N 386.908 4.657 0 40 GJAB Cc1cc(C)c2nc(N(CCn3cccn3)C(=O)c3cccs3)sc2c1 23144822 LBUQTIIHHZCCJO-UHFFFAOYSA-N 382.514 4.518 0 40 GJAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1sc2ccccc2c1Cl 23873354 ZFTUGLMYFZXBDG-UHFFFAOYSA-N 383.904 4.813 0 40 GJAB O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1Cc1cccnc1 28343669 SGELXSJTTBYXJS-UHFFFAOYSA-N 393.899 4.786 0 40 GJAB COc1cccc(CN(C)[C@@H](C)c2nc3ccccc3n2C(F)F)c1OC 40049364 KGUXWOAVEQEMHG-ZDUSSCGKSA-N 375.419 4.642 0 40 GJAB O=C(CC[C@@H]1CCCO1)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 46332695 YIDPVDNJUVZHNJ-QHCPKHFHSA-N 392.543 4.525 0 40 GJAB Cn1c([C@H]2CCCCN2C(=O)Cc2c(F)cccc2Cl)nc2ccccc21 54665913 AZEWSSGSDNHQPZ-LJQANCHMSA-N 385.870 4.662 0 40 GJAB COc1c(C)cnc(CN(C)C(=O)/C=C/c2c(Cl)cccc2Cl)c1C 58958431 PIISUEACAHGDQV-CMDGGOBGSA-N 379.287 4.686 0 40 GJAB CC[C@H](C)N(Cc1ccccc1)C(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 69446311 INPGPZKXLXYTPJ-RBUKOAKNSA-N 398.572 4.883 0 40 GJAB O=C(NCC1CCN(c2nc3ccccc3o2)CC1)Nc1ccccc1Cl 70932484 QHRCBBOXIMQTKW-UHFFFAOYSA-N 384.867 4.519 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 71115864 WGQUHSBYVWCFCM-HNNXBMFYSA-N 381.451 4.886 0 40 GJAB Fc1ccc(OCc2nnc(-c3cnc4onc(-c5ccccc5)c4c3)o2)cc1 71889534 HQFFFVPSUMACPL-UHFFFAOYSA-N 388.358 4.658 0 40 GJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)c2ccccc2)n1 72376797 DJBHMBIIDHBMLU-LJQANCHMSA-N 392.890 4.747 0 40 GJAB O=S(=O)(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccs1 84501833 RNBURZOEUIYIRM-KRWDZBQOSA-N 381.881 4.609 0 40 GJAB C[C@@H]1CN(C(=S)Nc2ccc(OC(F)(F)F)cc2)C[C@H](c2ccccc2)O1 84714128 XHUSSOFEBLKTHW-CXAGYDPISA-N 396.434 4.744 0 40 GJAB O=C(Nc1cccnc1)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1 96155405 YCHIPBARKISMTM-UHFFFAOYSA-N 397.413 4.578 0 40 GJAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCCC2)C12CCCC2 96344096 RFDRCHNZDDRSCJ-NRFANRHFSA-N 382.548 4.788 0 40 GJAB Cc1cc(OCC(=O)Nc2ccccc2-c2nc(C(C)C)no2)ccc1Cl 96346608 HFZXKJLWKBSACI-UHFFFAOYSA-N 385.851 4.839 0 40 GJAB COc1ccc(CN2CCCCC[C@H]2c2ccncc2)c(Br)c1O 97376996 XTGPINODCFYZCD-INIZCTEOSA-N 391.309 4.676 0 40 GJAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1F 98072812 YYOUQWIPLDRDTL-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB Cc1cc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c(C)c1 98211269 SBXHMFCMOINEAB-UHFFFAOYSA-N 386.455 4.769 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(O)cc2)C[C@@H](c2cccc(Cl)c2)C1 102677057 NXIMKWOUYDXZFQ-JLTOFOAXSA-N 392.846 4.702 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 216482288 CMBLGEAXXBFGDS-UTKZUKDTSA-N 382.504 4.628 0 40 GJAB CCOc1cccc(NC(=O)COc2ccc(C(C)C)cc2Br)c1 218875464 WMZJLASGPKUBOS-UHFFFAOYSA-N 392.293 4.989 0 40 GJAB Cc1ccc([C@@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc2)cc1 224613929 WMIHZXUIGKUCAQ-DEOSSOPVSA-N 385.507 4.949 0 40 GJAB COc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1 225367406 UGZBDQKWXODFMC-UHFFFAOYSA-N 384.929 4.708 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@H]2CCCc3ccccc32)ccc1Cl 225461594 DRYUYIDEFQHLCS-SFHVURJKSA-N 388.920 4.881 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 225556021 ODZFUNCESJFMKN-REWPJTCUSA-N 394.559 4.568 0 40 GJAB C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC(C)(C)C)n2)C1 225895304 MNMXURNOCQCESC-OAHLLOKOSA-N 399.564 4.590 0 40 GJAB CC(C)(C1CCC(O)CC1)C1CCC(OC(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC1 255187646 FVGCHUVBRJOKEW-RZXUBOOQSA-N 394.552 4.557 0 40 GJAB O=C(c1ccccc1)N1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257261780 LITYUMMLCFKLHJ-QFIPXVFZSA-N 392.886 4.540 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 408559610 MWDHUEORWYETHS-UHFFFAOYSA-N 379.787 4.558 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1 408608963 NGSLUAZTRAEQJZ-HSZRJFAPSA-N 376.544 4.647 0 40 GJAB O=C1N/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccccc1 409207102 PDQTVFSTCFHMBI-AQTBWJFISA-N 376.437 4.524 0 40 GJAB CC(C)NC(=O)Nc1cccc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)c1 502071677 DZBDHCSNAWUKFZ-UHFFFAOYSA-N 395.478 4.828 0 40 GJAB CC(C)(C)OC1CC(CCNC(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1 511930164 MKEQKSGQMQJMSD-GPANFISMSA-N 390.490 4.734 0 40 GJAB Cc1ccnc([C@@H]2CCN(Cc3cc(Br)cc4cccnc34)C2)c1 568764467 QXFAGOSWSMUQIH-MRXNPFEDSA-N 382.305 4.690 0 40 GJAB CO[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 585149241 PERLIGYTMPUVLB-SFHVURJKSA-N 394.254 4.622 0 40 GJAB CN(C)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 920965 QEJMDZCXXZFBME-OAHLLOKOSA-N 384.545 4.853 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@@H](C)Oc1cccc(Br)c1 934650 DWPDHMXQBSPYJJ-CYBMUJFWSA-N 376.294 4.980 0 40 GJAB Cc1cc(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)no1 1000878 YPKUSSVTPLQXIX-UHFFFAOYSA-N 387.233 4.577 0 40 GJAB aggregator C[C@@H]1CCCc2sc3ncn4c(SCC(=O)c5ccccc5)nnc4c3c21 1302571 DSUBMZPRBXVZFK-GFCCVEGCSA-N 394.525 4.754 0 40 GJAB O=C(CSc1cc(Cl)ccc1Cl)Nc1nnc(C(F)(F)F)s1 1397853 CWQVXQLGDZBSMW-UHFFFAOYSA-N 388.223 4.595 0 40 GJAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Br)cc1 1435866 SUNBJVCYMUYCAJ-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB COc1ccccc1NC(=O)CSc1nc(C)nc2sc3c(c12)CCCC3 1465477 QAMRCWFFOFDMBK-UHFFFAOYSA-N 399.541 4.618 0 40 GJAB C[C@@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc(Oc2ccccc2)cc1 1982782 FCGBYWTZJINUJO-OAHLLOKOSA-N 379.387 4.802 0 40 GJAB CCOC(=O)C(=O)N1c2ccccc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C 2183186 XYAYKDXUNTYDTC-JOCHJYFZSA-N 385.891 4.724 0 40 GJAB COc1ccc([C@H]2CC(=O)c3cnc(Nc4ccc(Cl)cc4)nc3C2)cc1 2212009 GYOOICOGMKXNNR-CQSZACIVSA-N 379.847 4.795 0 40 GJAB Cc1ccccc1OCc1nc(-c2ccc(NC(=O)c3cccs3)cc2)no1 2931014 HDUSRTWQSGEOFL-UHFFFAOYSA-N 391.452 4.938 0 40 GJAB NC(=O)c1c(NC(=O)c2ccc(Cc3ccccc3)cc2)sc2c1CCCC2 4075739 BPISHECOGHYYKU-UHFFFAOYSA-N 390.508 4.569 0 40 GJAB O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)c1ccccc1 4130194 UAUPUOWOOWSSEO-UHFFFAOYSA-N 376.437 4.777 0 40 GJAB Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@H]2c2cccc(F)c2)cc1 4837570 JEMHSXVBEVNMBS-QFIPXVFZSA-N 394.471 4.674 0 40 GJAB CCCCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccco1 4861125 BMTYAYCSINDINJ-UHFFFAOYSA-N 384.505 4.631 0 40 GJAB CCOc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 5032137 FPZDGAUUHIAQRM-QFIPXVFZSA-N 387.435 4.792 0 40 GJAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccc(C(F)(F)F)cc1 5077228 UTPAVXGYLAVBBN-UHFFFAOYSA-N 389.402 4.890 0 40 GJAB CCCNCC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 5838847 WYOUSRKHSRSSFP-CYBMUJFWSA-N 380.332 4.696 0 40 GJAB CC(C)c1ccccc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 5945010 BNDXBVVSURRFCC-UHFFFAOYSA-N 399.288 4.978 0 40 GJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(F)c(Cl)c1 6378283 CGRZGEZXUBYBJG-FARCUNLSSA-N 384.632 4.902 0 40 GJAB Cc1ccc2c(COC(=O)COc3ccc(Cl)cc3Cl)cc(=O)oc2c1 6790627 GGJALMWEVAIJKN-UHFFFAOYSA-N 393.222 4.530 0 40 GJAB COc1cccc(-c2cc(OC(=O)c3ccccc3)cc3sc(=O)oc23)c1 6809714 BRZKCHWPOQAINQ-UHFFFAOYSA-N 378.405 4.749 0 40 GJAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(O)cc2)c2ccccc2)cc1Cl 6866269 ZQKIBSIMHCJQOG-FQEVSTJZSA-N 395.842 4.891 0 40 GJAB aggregator COc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c(OC)c1 7094281 AEWMFLVFKJYVKO-UHFFFAOYSA-N 386.300 4.883 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1ccccc1OCc1ccccc1Cl 7601274 UZNPHHRBYBZITN-UHFFFAOYSA-N 388.924 4.869 0 40 GJAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1ccc(CN2CCCC2)cc1 8076020 PPGWFEIARXWPEO-UHFFFAOYSA-N 390.527 4.763 0 40 GJAB Cc1cc(C)cc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)O)c1 8434553 SPGKHJHSMDPMLH-UHFFFAOYSA-N 388.423 4.506 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(N3CCCC3=O)cc2)cc1 9549814 PGLZMMHRBDCXDM-JOCHJYFZSA-N 392.499 4.580 0 40 GJAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(OC(F)F)cc1 11513326 FEGUBUJVGRPRRJ-UHFFFAOYSA-N 380.441 4.711 0 40 GJAB COc1ccc(-c2ccc(CCC(=O)Nc3cc(OC)c(OC)cc3C)o2)cc1 12938203 CXGBVBGOZAGWCM-UHFFFAOYSA-N 395.455 4.852 0 40 GJAB C[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 13040453 HCAJRVQHMBQOSY-LBPRGKRZSA-N 385.722 4.956 0 40 GJAB Cn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@@H]3CCCC[C@@H]32)c1=S 13071820 MAARNTFVOZJWMX-YOEHRIQHSA-N 376.957 4.884 0 40 GJAB O=C(O)c1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 13092448 JPSYJFRXGHATMT-UHFFFAOYSA-N 390.222 4.882 0 40 GJAB CCC[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1I 15652579 JYUCHOCNVWWHMO-ZETCQYMHSA-N 386.060 4.516 0 40 GJAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)CCc1ccccc1 16031655 JNKGACXEIDEDAG-GVXSCFBNSA-N 393.527 4.523 0 40 GJAB biogenic O=C(O)c1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 20139802 CAICISMGAWQMNH-UHFFFAOYSA-N 386.201 4.660 0 40 GJAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)OC(C)C)c1C 20897499 XLVOCVFPVVYIIA-UHFFFAOYSA-N 398.528 4.776 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2nc(CN3CCCCC3)cs2)c1 22289401 WGSWCDQFUQOSFZ-UHFFFAOYSA-N 381.954 4.757 0 40 GJAB Cc1oc(-c2cccs2)nc1CSCCCn1c(=O)[nH]c2ccccc21 23886038 DOKZCGACBKEKAB-UHFFFAOYSA-N 385.514 4.678 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(F)c(Cl)cc1Cl 24395656 KGSYIZJYJSYLRT-UHFFFAOYSA-N 392.261 4.650 0 40 GJAB Cc1cccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)n1 25288220 QHLYGVZXEXCBBW-UHFFFAOYSA-N 380.292 4.590 0 40 GJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(F)cc1Cl)CC(O)=N2 32091696 BJWFZJXZVGETBV-NSHDSACASA-N 392.221 4.540 0 40 GJAB COc1ccc(CN2C(=O)/C(=C\c3ccc(C)s3)c3ccccc3C2=O)cc1 32812027 HSCKXQJQSBGTLD-BKUYFWCQSA-N 389.476 4.788 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c(C)c1 32817209 IJUJEBLTGYHYPZ-UHFFFAOYSA-N 389.377 4.525 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(=O)c3ccccc3o2)cc1 40009931 CEQAYKHPVQOPND-IBGZPJMESA-N 377.440 4.559 0 40 GJAB O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1I 43210120 XLUSITJEPBWTQG-UHFFFAOYSA-N 377.008 4.829 0 40 GJAB Cc1cc(C)n2nc(C3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc2n1 57740615 LZWCXZJNVCTIDJ-UHFFFAOYSA-N 388.437 4.745 0 40 GJAB Cc1occc1C(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n(C)n1 58166776 CQOYTZAJFCAOLK-UHFFFAOYSA-N 383.467 4.613 0 40 GJAB COc1ccc(Oc2ncccc2NC(=O)N2CCc3ccc(F)cc32)cc1 58515558 JYAYASITSBAGDW-UHFFFAOYSA-N 379.391 4.616 0 40 GJAB N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl 72227829 CNRKGSCIISQDGE-KGLIPLIRSA-N 376.070 4.715 0 40 GJAB O=C(OC1CN(c2nc3ccccc3s2)C1)c1cc(Cl)sc1Cl 77200628 CDGHTSVJZULAKS-UHFFFAOYSA-N 385.297 4.710 0 40 GJAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3cccc4c3ccn4C)o2)n1 79475589 TTYPRWVOSBMGMU-UHFFFAOYSA-N 392.484 4.723 0 40 GJAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCn1ccc2ccccc21 96223229 MYNHMDSNHJZOEG-NRFANRHFSA-N 387.483 4.715 0 40 GJAB COc1ccc(CNC(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 208047282 HIGDPUGNTRZMBI-LJQANCHMSA-N 390.936 4.738 0 40 GJAB O=C(O)/C(=C/c1ccc(Br)cc1)Sc1nc2ccccc2o1 211504482 AJZDWHQCSVYQKN-ZROIWOOFSA-N 376.231 4.808 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222734936 DJRQQEMJUMBCHY-JXFKEZNVSA-N 397.515 4.790 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccco2)c1C 222864872 PLICSJKLSOUMQK-SFTDATJTSA-N 394.544 4.524 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc2ccccc2c1 223623345 KKIZSWSCDXMYRQ-QFIPXVFZSA-N 377.484 4.809 0 40 GJAB C[C@@H](NC(=S)Nc1ccc(N2CCc3ccccc3C2)nc1)c1ccccc1 223958208 XLDPYWBGXOOREO-QGZVFWFLSA-N 388.540 4.692 0 40 GJAB COc1cc(OC)cc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)c1 224254788 HWDHTXIBFDICEG-UHFFFAOYSA-N 377.396 4.621 0 40 GJAB C[C@H](NC(=O)CCc1ncc(-c2cccc(Br)c2)o1)c1ccccc1 224883840 XHSSGCIJYXKWJO-AWEZNQCLSA-N 399.288 4.914 0 40 GJAB COc1ccc2cc(S(=O)(=O)Nc3ccccc3C(F)(F)F)ccc2c1 225751163 DOLLFOBFTJBZHN-UHFFFAOYSA-N 381.375 4.668 0 40 GJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C(=O)OC)c1 225847606 AJSPBYDPSPHGLU-QFIPXVFZSA-N 393.524 4.966 0 40 GJAB CCN(CC)c1ccc(N)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 226261847 KQGLBYZNTKHERJ-UHFFFAOYSA-N 382.291 4.683 0 40 GJAB COc1ccc2c(c1Oc1ccccc1)[C@@]13CCN(C)[C@@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 253504569 HLKCYOOWMVLNED-WIIJMRJTSA-N 391.511 4.601 0 40 GJAB biogenic,in-vitro O=C(c1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257291208 QGCIMMUIZGJXAV-LJQANCHMSA-N 381.863 4.681 0 40 GJAB CN1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)CC1 408629241 RQQVLZAVGZLVSE-UHFFFAOYSA-N 385.939 4.642 0 40 GJAB CCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1 409099224 KFBMNBRXMHGPAX-UHFFFAOYSA-N 386.908 4.739 0 40 GJAB O=C(O)[C@H](c1cccc(Cl)c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 564661665 SHNAYRPXYFWORN-SJORKVTESA-N 399.796 4.558 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@@]3(CCCN3Cc3cc(F)ccc3F)CC2)o1 585100352 GDGUIBIOAVFBQM-JOCHJYFZSA-N 388.458 4.527 0 40 GJAB C[C@@H](NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1)c1cscn1 661639073 TXNPYOSJLBCEIV-CYBMUJFWSA-N 379.476 4.537 0 40 GJAB O=C(N[C@@H]1c2ccccc2OC[C@H]1F)c1ccc(C(F)(F)C(F)(F)F)cc1 1534766268 OLXWJWBDDJDUTF-UKRRQHHQSA-N 389.295 4.542 0 40 GJAB COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(C)c2)cc1 647598 FHYTVZHNAXYVSO-QFIPXVFZSA-N 386.451 4.861 0 40 GJAB Cc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccc4c(c3)CCC4)s2)c1 1379097 ZQRSSLZCVSRHHO-UHFFFAOYSA-N 391.496 4.753 0 40 GJAB aggregator COc1ccccc1[C@@]1(CCNC(=O)c2cccs2)CCO[C@H](C(C)C)C1 2147286 BBCRVOCQADCCJZ-UGKGYDQZSA-N 387.545 4.650 0 40 GJAB biogenic CCOCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 2254813 XJUBXFHOVJFZNC-UHFFFAOYSA-N 378.563 4.581 0 40 GJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc(F)c(F)c1 2620454 JKJXUGORINBOQG-UHFFFAOYSA-N 389.402 4.672 0 40 GJAB Fc1ccccc1-c1nnc(SCc2nnc(-c3ccccc3)o2)n1C1CC1 2640893 PTIUKOYWDUIUCU-UHFFFAOYSA-N 393.447 4.761 0 40 GJAB COc1cc(-c2nnc(-c3ccccc3OC(F)F)o2)ccc1OC(F)F 2803606 PZSIQXUOGBIBOI-UHFFFAOYSA-N 384.285 4.615 0 40 GJAB Cc1ccc(C(=O)OCCCC(=O)c2ccc(Br)cc2)c(C)c1 3332384 PXAQYQSTIXBHNR-UHFFFAOYSA-N 375.262 4.886 0 40 GJAB O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccccc1 4389745 FHIVLFNLYZVNJC-UHFFFAOYSA-N 388.448 4.641 0 40 GJAB CC(C)(C)c1ccc(-c2nnc3sc([C@H]4COc5ccccc5O4)nn23)cc1 4664905 KCIINISVKAZGCK-QGZVFWFLSA-N 392.484 4.663 0 40 GJAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(O)c1 5226108 VCKCXBBFRKLBDE-MRXNPFEDSA-N 375.424 4.552 0 40 GJAB CCn1cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 5265955 MMCUDWKVFUTYIE-UHFFFAOYSA-N 382.895 4.669 0 40 GJAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 5439975 GFEJTCODTBNDGW-UHFFFAOYSA-N 388.467 4.926 0 40 GJAB O=C(O)CCSc1ncnc2scc(-c3ccc(Br)cc3)c12 5555245 VVVDCPBEDOBOQV-UHFFFAOYSA-N 395.303 4.688 0 40 GJAB Cc1cc(I)ccc1NC(=O)Nc1ccc(F)cc1F 6202896 YZMYOMMVQKTYTQ-UHFFFAOYSA-N 388.155 4.522 0 40 GJAB CCOc1ccccc1/C=C1\CN(CC)Cc2c1nc1ccccc1c2C(=O)O 6561204 IOCKNQLEAPEYRN-GHRIWEEISA-N 388.467 4.708 0 40 GJAB O=C(Nc1ccc2cn[nH]c2c1)c1cn(-c2ccccc2)nc1-c1cccs1 6566847 UUMAGFIQBBDXMU-UHFFFAOYSA-N 385.452 4.729 0 40 GJAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)C1=O 6655367 GBFOSTILHPLDSO-HGLKBHAMSA-N 383.897 4.972 0 40 GJAB Cc1ccc(Nc2nc(NCc3ccccc3Cl)nc3c2cnn3C)c(C)c1 6901073 ZSINTTSOYSUUED-UHFFFAOYSA-N 392.894 4.989 0 40 GJAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(Cc2ccccc2)C1 8475427 BVETYIMOUYCFRN-QGZVFWFLSA-N 384.435 4.573 0 40 GJAB COc1cc(CC(=O)Nc2ccccc2-c2cccs2)cc(OC)c1OC 9691201 KNBAOWGWCUWCGN-UHFFFAOYSA-N 383.469 4.622 0 40 GJAB O=C(Nc1ccc(Cl)cc1F)c1cnn(-c2ccccc2)c1C(F)(F)F 10958268 OVAFGJOKLIOQEC-UHFFFAOYSA-N 383.732 4.936 0 40 GJAB Cc1ccc(C)c(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1 12597920 SMGNMLSKVBLHJP-UHFFFAOYSA-N 395.768 4.709 0 40 GJAB CC(C)[C@@H]1C[C@](CCNC2CCN(C)CC2)(Cc2ccccc2Cl)CCO1 13569822 JIHOBMMLMZGXQJ-GOTSBHOMSA-N 393.015 4.778 0 40 GJAB Cc1ccccc1CSc1nc(=O)n(-c2ccc(Cl)cc2)c2c1CCC2 15840483 LYSZAVNRBLZAQW-UHFFFAOYSA-N 382.916 4.975 0 40 GJAB CC(C)n1c([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)no2)nc2ccccc21 19659388 WOKQCMFLIYSQGD-CQSZACIVSA-N 392.434 4.902 0 40 GJAB O=C(NCCc1ccccc1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 20436533 ZTQFHWIUYWHQGY-INIZCTEOSA-N 391.311 4.531 0 40 GJAB Cc1ccc(C)c(OCCSc2nc3ccccc3n2CC(=O)OC(C)C)c1 20897505 JVRDZJYSHSANOH-UHFFFAOYSA-N 398.528 4.776 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccs2)cc1 20910455 WPEFKUAGZCWKLA-UHFFFAOYSA-N 389.480 4.539 0 40 GJAB Cc1ccn2c(NC(=O)c3c(F)cccc3F)c(-c3ccc(F)cc3)nc2c1 21826123 IUQYKOUVZGRSBQ-UHFFFAOYSA-N 381.357 4.979 0 40 GJAB Cc1cc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)n(C2CCCC2)n1 28245900 JRCKKDWZRUVCCE-UHFFFAOYSA-N 383.423 4.870 0 40 GJAB CCCOc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c2cccnc12 32623477 NCHCXEPKVACPLK-UHFFFAOYSA-N 388.423 4.691 0 40 GJAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1nc(CN2CCCC2)cs1 32787434 HCSRWVIDVQVYLU-UHFFFAOYSA-N 399.491 4.709 0 40 GJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)cc1 33850554 HYUSLJYFZNLCNI-UHFFFAOYSA-N 378.497 4.970 0 40 GJAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1Br 36392539 ASWCDXIACFYTCR-UHFFFAOYSA-N 394.137 4.676 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2csc(Nc3cccc(Cl)c3)n2)c1 36704658 AHESHJXAWFORLF-UHFFFAOYSA-N 386.864 4.751 0 40 GJAB CN(C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1)C1CCCCCC1 40105020 YZOLDYVEBGLYIZ-UHFFFAOYSA-N 378.538 4.589 0 40 GJAB O=C(CN[C@@H](c1ccccc1)c1cccs1)Nc1ccc(N2CCCC2)cc1 57398748 PRCOHBLUSJIXSL-QHCPKHFHSA-N 391.540 4.666 0 40 GJAB Cc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)nc1 59289675 OEOWIJDIKZKKNK-UHFFFAOYSA-N 389.286 4.681 0 40 GJAB Cc1cc(C(C)(C)C)cc(C)c1C[S@](=O)Cc1csc(-c2ncccn2)n1 64830029 WXFNWCQSXGLAAW-MHZLTWQESA-N 399.585 4.963 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2Oc2ccccc2)cc1 72212209 BBWOGIHGQHQOGA-NRFANRHFSA-N 394.496 4.708 0 40 GJAB O=C(c1ccccn1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349239 RBHKHMLAHPLYHJ-SFHVURJKSA-N 391.902 4.741 0 40 GJAB FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCCN(C3CCOCC3)C2)c1 72359078 YDCDQWJTYPQOPW-INIZCTEOSA-N 391.437 4.521 0 40 GJAB O=C([C@H]1C[C@H]1c1cccc(F)c1)N(Cc1cccc(Br)c1)C1CC1 89774409 KTSOJSVLVTZAGA-OALUTQOASA-N 388.280 4.883 0 40 GJAB O=C(C[C@H]1OCCc2ccsc21)Nc1cccc(-c2cn3c(n2)CCCC3)c1 89779636 ACJLWNABMGWVHC-LJQANCHMSA-N 393.512 4.591 0 40 GJAB O=C(O)C/C(=C/c1cc(F)c(O)c(F)c1)c1nc2cc(Cl)ccc2s1 95964092 AQMLMQJUCLKVMG-OQFOIZHKSA-N 381.787 4.949 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCCCC2 102173234 DQLMUSMXKADYPB-FMKPAKJESA-N 375.534 4.957 0 40 GJAB C[C@@H](NC(=O)CSCc1ccccc1Br)[C@@H]1C[C@H]2CC[C@H]1C2 108842165 FUQCFIAXZNMTAB-HOSILWTGSA-N 382.367 4.623 0 40 GJAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 137723990 WUGYQVQMQZFLHU-ACWFTSFSSA-N 388.548 4.735 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cccc(Cl)c1 219292616 CXNWASNTRXFGTR-SCLBCKFNSA-N 389.879 4.535 0 40 GJAB C[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 222742925 ZANNRVJPCJXHLD-LBPRGKRZSA-N 380.271 4.575 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)cc1Cl 222998274 ZTVAZBOHNZOCCN-IBGZPJMESA-N 389.879 4.930 0 40 GJAB CCc1ccc([C@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 223077532 GZXIMFSKFJQEIZ-HNNXBMFYSA-N 390.321 4.885 0 40 GJAB CCCc1ccc(OCCNC(=O)CSCc2c(F)cccc2Cl)cc1 223457135 GAHDFFVFJIUSBM-UHFFFAOYSA-N 395.927 4.860 0 40 GJAB CC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc(C)cc1C 224157520 PBZDDSLJKHZHCL-HXUWFJFHSA-N 387.545 4.620 0 40 GJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(CC)cc1 225097358 SSABWYAOHNVKHY-QHCPKHFHSA-N 394.559 4.515 0 40 GJAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 225121991 ZANYJGPLTJAVMM-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)c1 225264231 FQIOLPWJWLJIFM-UHFFFAOYSA-N 384.439 4.749 0 40 GJAB CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226340146 XYIGESAPHADXFT-UHFFFAOYSA-N 387.632 4.997 0 40 GJAB Cc1cc(N2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)nc(C)n1 257216721 CVVGOAXUWPXKLF-FQEVSTJZSA-N 376.479 4.602 0 40 GJAB Cc1nc2cc(NC(=O)N3[C@H]4CC[C@H]3CC(Oc3ccccn3)C4)ccc2s1 390831798 UZUXVKHKPOITDS-HOTGVXAUSA-N 394.500 4.606 0 40 GJAB COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 408628137 PYVASHQGTMJPNM-UHFFFAOYSA-N 387.439 4.564 0 40 GJAB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)OCC)c(Cl)c2)c2ccccc21 409122061 YORJKEITRBJUQD-ATVHPVEESA-N 399.874 4.579 0 40 GJAB O=C1S/C(=C/c2ccc(Br)o2)C(=O)N1CCCc1ccccc1 409131254 MUPJJXXMMOKKOH-SDNWHVSQSA-N 392.274 4.711 0 40 GJAB CCn1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c2ccccc21 409147153 VHAJJCFIGRUAFR-ZHZULCJRSA-N 376.481 4.940 0 40 GJAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 409171879 CJXHYMXNVOBUKS-MRXNPFEDSA-N 394.496 4.637 0 40 GJAB Cc1c(-c2cc(CN(CC3CC3)c3cccc(C(F)(F)F)c3)on2)cnn1C 564415333 SIWWAUAEHHDPTG-UHFFFAOYSA-N 390.409 4.819 0 40 GJAB Cn1cc([C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)Cc3ccccc32)cn1 575618998 LAQLVVHAEIGXMJ-KRWDZBQOSA-N 386.282 4.515 0 40 GJAB Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(OC(C)C)c(Cl)c2)cn1 585081464 SHBADWBHKTWTLU-OAHLLOKOSA-N 384.911 4.867 0 40 GJAB O=C(Oc1ccc(N2CCCCC2)c(Cl)c1)[C@@H]1CCN(c2ccccc2)C1 1129826804 NWGSLOHEXLJXAT-QGZVFWFLSA-N 384.907 4.762 0 40 GJAB COc1cc(C(=O)O[C@@H]2CC(C)=CCCC(C)=C[C@H](O)[C@H]2C(C)C)ccc1O 1559556400 OLJDCWYDXLXFJK-KSEOMHKRSA-N 388.504 4.636 0 40 GJAB biogenic Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)nc12 936139 SISHHKVDSNJUQJ-UHFFFAOYSA-N 397.887 4.764 0 40 GJAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 1346839 JMEZUUCROYSHFE-MRXNPFEDSA-N 378.259 4.628 0 40 GJAB O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 1450868 UBRGLRXPUPHGBK-CQSZACIVSA-N 378.086 4.878 0 40 GJAB Cc1ccc(NC(=O)CSc2nc(N)c3c4c(sc3n2)CCC[C@@H]4C)cc1 2306411 VBCKQJLGWZRBBD-LBPRGKRZSA-N 398.557 4.753 0 40 GJAB C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)Nc1ncc(Cl)cc1Cl 2640907 JPMKAKGQRPVPBS-LLVKDONJSA-N 389.238 4.726 0 40 GJAB O=C(Nc1ccc(Cl)cc1F)c1ccn(COc2ccccc2Cl)n1 2786780 NIUSXGBKVASNPV-UHFFFAOYSA-N 380.206 4.618 0 40 GJAB O=C(Nc1ccc(F)cc1)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 3041234 HJBAFOKKWMWOBZ-UHFFFAOYSA-N 391.229 4.595 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(F)c(F)c3)s2)cc1 3530490 VTQDWZCDKCCIBE-UHFFFAOYSA-N 392.456 4.599 0 40 GJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 4083479 UOGVUQZHAFLJIR-PCNVCBKPSA-N 391.511 4.603 0 40 GJAB biogenic O=C(c1ccccc1)[C@H](Sc1nnc2[nH]c3ccccc3n12)c1ccccc1 4266194 ACMIQBFYRBJQAA-HXUWFJFHSA-N 384.464 4.927 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)Nc1cccn2cc(-c3ccccc3)nc12 4741706 RUWVNHLWRAODPP-UHFFFAOYSA-N 399.479 4.608 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)c(C)c1 4860485 VWFPHUUPXKBSQP-UHFFFAOYSA-N 398.532 4.850 0 40 GJAB Cc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)cc1F 5185939 LPYCTJSZYVTZSM-UHFFFAOYSA-N 389.430 4.702 0 40 GJAB CC[C@@H]1CCc2c(sc3nc(Cc4nc5ccccc5s4)[nH]c(=O)c23)C1 6551192 AYANBPMWZXRIAW-LLVKDONJSA-N 381.526 4.700 0 40 GJAB N=C1S/C(=C/c2cccc(Br)c2)C(=O)N1c1ccccc1F 6926950 UGIWWSJAFHMXBZ-OGJKRULYSA-N 377.238 4.644 0 40 GJAB C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 7187535 LKUZGQXVNRZILW-CQSZACIVSA-N 395.355 4.823 0 40 GJAB Brc1ccccc1-c1n[nH]c(SCCCOc2ccccc2)n1 7832730 CCAIYTAJKJZQCJ-UHFFFAOYSA-N 390.306 4.795 0 40 GJAB Fc1ccc(Nc2nnc(SCc3ccc(-n4cccn4)cc3)s2)cc1 8354855 IIGQTROJFSNSOS-UHFFFAOYSA-N 383.477 4.899 0 40 GJAB COc1cccc(Nc2nc(Nc3ccc(C)c(Cl)c3)c3nccnc3n2)c1 9075119 UAIIFIOXVFTONM-UHFFFAOYSA-N 392.850 4.877 0 40 GJAB O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 9980036 PLXQZCKNWRLVJF-UHFFFAOYSA-N 398.506 4.522 0 40 GJAB Cc1ccc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1NC(=O)c1ccco1 10213839 FWWAAVPLFRUJKP-ZHALLVOQSA-N 380.488 4.929 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 13017012 HVUCBAWIFDYVSG-UHFFFAOYSA-N 398.551 4.712 0 40 GJAB Cc1ccccc1[C@@H](C)NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 13071618 HYZGASFQIMKVHW-LJQANCHMSA-N 399.494 4.801 0 40 GJAB O=C(Sc1nc2ccccc2n1C(=O)c1ccc(F)cc1)c1ccc(F)cc1 13233915 ILTWQTZGNIAYLW-UHFFFAOYSA-N 394.402 4.936 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2ccc(Br)s2)c1 15109135 JKJXCZCMCPTYLA-ZDUSSCGKSA-N 381.339 4.586 0 40 GJAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc(Cl)c3C)ccc12 15393236 GBTMVSOAFGPUFT-CYBMUJFWSA-N 385.847 4.723 0 40 GJAB C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1N)c1nnc(-c2ccccc2)o1 16210599 OOMJYXJZFWEJFK-SECBINFHSA-N 378.215 4.544 0 40 GJAB O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccnc2ccc(Cl)cc12 19334952 XLCSTMMELUJJMD-UHFFFAOYSA-N 380.810 4.524 0 40 GJAB COc1ccc([C@@H]2[C@@H](NCc3cnc(C(C)C)nc3)[C@@H]3CCCC[C@H]32)cc1OC 19454152 LQAOHYIBEYHTOU-VKGYTVAMSA-N 395.547 4.679 0 40 GJAB COc1cccc([C@@H]2CCCN2C(=O)C2(c3cc(C)cc(C)c3)CCOCC2)c1 19662069 IPYUJGNZCGPOFN-QHCPKHFHSA-N 393.527 4.724 0 40 GJAB O=C(NCc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc32)cc1 20105380 GTSXLBHBNQEFQA-UHFFFAOYSA-N 376.887 4.833 0 40 GJAB COc1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1-c1ccc(CO)o1 20143959 SZEIVDVLPJKQHC-UHFFFAOYSA-N 395.455 4.588 0 40 GJAB CN1C(=O)c2ccccc2N[C@@H]1c1cccc(NC(=O)c2ccc(Cl)cc2)c1 20936306 FTMLMXMWEQRGPF-FQEVSTJZSA-N 391.858 4.789 0 40 GJAB O=C(CCC(=O)c1cccs1)Nc1cccc(NC(=O)c2cccs2)c1 21141083 IQNNBYZVAOBBNL-UHFFFAOYSA-N 384.482 4.664 0 40 GJAB Cc1cccc(C(=O)Nc2c(C(=O)NCc3ccccc3)[nH]c3ccc(C)cc23)c1 21362118 HNLIJPBQCPBQEK-UHFFFAOYSA-N 397.478 4.967 0 40 GJAB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc2c(c1)OCCCO2 21723266 MKYNPPCJLYAAHH-UHFFFAOYSA-N 387.892 4.589 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 22530268 RAYBJMHOOFZCFA-JXFKEZNVSA-N 393.483 4.892 0 40 GJAB Cc1noc([C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)n1 22967913 CIYHBAMUCDCUSV-NSHDSACASA-N 399.426 4.757 0 40 GJAB O=C(CCn1cnc2ccccc21)N1CCc2sccc2[C@H]1c1cccs1 24988006 NMAFYOXHPJYPKN-NRFANRHFSA-N 393.537 4.724 0 40 GJAB O=C1COc2cc(NCc3ncc(-c4ccc(Cl)cc4)o3)c(Cl)cc2N1 25748366 UDDSSMBTPWATHH-UHFFFAOYSA-N 390.226 4.591 0 40 GJAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(SC3CCCC3)cc2)cc1 30532029 BKEDZDIQVKHNKC-UHFFFAOYSA-N 375.515 4.725 0 40 GJAB Cc1sc2c(c1C)C(=O)N[C@H]1/C(=C/c3ccccc3O)c3ccccc3CN21 32679282 MJDFVRIKKLBJSG-LAINMTBBSA-N 388.492 4.701 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1 32740741 ARFWNUWZJFRSIS-UHFFFAOYSA-N 379.485 4.544 0 40 GJAB CC(C)c1ccc(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)cc1 33064215 OMHGLICEXWAJGI-UHFFFAOYSA-N 384.476 4.663 0 40 GJAB O=C(Nc1ccc(F)cc1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 35078148 JSESTMQDHXVHBR-UHFFFAOYSA-N 376.362 4.706 0 40 GJAB Cc1nnc([C@@H](C)Sc2nc3ccccc3c(=O)n2CCC2=CCCCC2)o1 48187418 SUONBDBRVRHEMO-CQSZACIVSA-N 396.516 4.832 0 40 GJAB CC(=O)N(c1ccc(Cl)cc1)c1nc(CSc2nnc(C)s2)cs1 54913755 NHKVDMMNPRAGFC-UHFFFAOYSA-N 396.950 4.933 0 40 GJAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4ccccc4)CC3)s2)o1 55976920 PDWUNLNBOKVZOH-UHFFFAOYSA-N 382.485 4.704 0 40 GJAB O=C(Nc1cc(Cl)ccc1O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 63803282 LUEUBXMJKRZXQB-UHFFFAOYSA-N 385.826 4.502 0 40 GJAB COc1ccc([C@H](C)Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 67288308 BXISLVQNTMDFJH-HNNXBMFYSA-N 393.462 4.792 0 40 GJAB CCN(CC)[C@H](CNC(=O)c1[nH]c2ccccc2c1Cl)Cc1ccccc1 70020076 XTBRYKOWJCXTIQ-KRWDZBQOSA-N 383.923 4.504 0 40 GJAB CCN(CC)c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1N 72229323 OTCZDJGOPQATGH-UHFFFAOYSA-N 396.716 4.783 0 40 GJAB CC(=O)N1CCC[C@H](c2cc(Cc3cccc(C(F)(F)F)c3)cc(C)n2)C1 72353799 FPYBNFQTGHOMAF-SFHVURJKSA-N 376.422 4.726 0 40 GJAB COc1ccc(-c2cc(C)nc(S[C@@H]3C(=O)[C@@H]4CC[C@]3(C)C4(C)C)n2)cc1 100928214 TYYQZGMUYLJLMG-NBCNXNJRSA-N 382.529 4.947 0 40 GJAB CCOc1ccc(N/C=C2\C(=O)N(c3ccccc3)C(=O)c3ccccc32)cc1 101258303 GUMRDKLPYFVVHH-JWGURIENSA-N 384.435 4.725 0 40 GJAB CCOc1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102322050 FCPWKKIJNVSUTH-CXTCDGGRSA-N 378.310 4.758 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCC1=CCCCC1 222828713 YVQLQJGNVMKPHQ-KRWDZBQOSA-N 390.955 4.864 0 40 GJAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(C)c(C)c1 224284249 ZKWJVJUGZDWUQT-RTWAWAEBSA-N 376.529 4.697 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(SCC(C)C)s1 225283659 MWIJDBWOMAXTIU-AWEZNQCLSA-N 379.551 4.699 0 40 GJAB Cc1cccc(-c2noc(CNC(=O)CCc3c(Cl)cccc3Cl)n2)c1 225363899 CKKDPGXUXWQNDW-UHFFFAOYSA-N 390.270 4.601 0 40 GJAB CCN(CC)c1ccc(NC(=O)c2ccc(OCCOC(C)(C)C)nc2)c(C)c1 225727671 LVTIIRXITOEWNK-UHFFFAOYSA-N 399.535 4.682 0 40 GJAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4F)OCC[C@@]31C2 257243379 IGRUHQAIQLCVEC-YUHHWPHHSA-N 377.475 4.619 0 40 GJAB COc1c(Cl)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Cl 260753072 BESGOEAKZBJUIH-UHNFBRDESA-N 394.327 4.986 0 40 GJAB CC1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 408629158 MXWYIZZAYGKGST-UHFFFAOYSA-N 386.879 4.600 0 40 GJAB Cc1cc(Oc2ccc(-c3ccc(Br)cc3)cc2)n2ncnc2n1 514979531 GJGPGWVGKDRZGR-UHFFFAOYSA-N 381.233 4.655 0 40 GJAB Cc1cc2c(cc1-c1ccnc3nc(-c4cccnc4)nn13)[C@@H](C)CC(C)(C)N2 575473083 FZAIHNZUUPHIRZ-HNNXBMFYSA-N 384.487 4.859 0 40 GJAB COc1ccc(CN2CCC[C@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cc1 585100875 ZWLJDNFTWKQLJH-VWLOTQADSA-N 392.543 4.551 0 40 GJAB CO[C@H](C(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1)[C@@H]1CCOC1 614252595 SMQQYSBAEIODOI-ACJLOTCBSA-N 380.271 4.650 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)c(Cl)c1 1265652 CKHGWCFIJJWTOK-UHFFFAOYSA-N 379.869 4.524 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3ccccc3)cc2c1 1359207 FCXHLORESVNPTQ-UHFFFAOYSA-N 388.492 4.741 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnc(SCc2ccccc2F)o1 2442210 ACXRZVUTMUPFDC-CQSZACIVSA-N 379.457 4.573 0 40 GJAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)ccc2C)n1 2653370 IRWNOYUQDUQPGU-UHFFFAOYSA-N 387.892 4.726 0 40 GJAB O=C(OCc1nnc(-c2ccccc2)o1)c1c2c(nc3ccccc13)CCCCC2 3531759 VJKSEEDYCJTFNG-UHFFFAOYSA-N 399.450 4.911 0 40 GJAB O=S(=O)(c1ccccc1)N1CC[C@@]2(Cl)CCCC[C@@H]2[C@H]1c1ccccc1 4538318 OMYLBMBYGSSHCP-NJYVYQBISA-N 389.948 4.990 0 40 GJAB O=C(c1cc2cc(Oc3ccccc3)ccc2[nH]1)N1CCN(c2ccccc2)CC1 4675711 JSHVBXIMAGVFPL-UHFFFAOYSA-N 397.478 4.923 0 40 GJAB CSc1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccco2)cc1 4883338 FEDIYHXZMFUSAV-AYHJJNSGSA-N 385.533 4.709 0 40 GJAB Cc1ccc2nc(N(Cc3ccccn3)C(=O)Cc3ccc(F)cc3)sc2c1 5264555 SBMNTIMYDOIOFT-UHFFFAOYSA-N 391.471 4.915 0 40 GJAB CC1CCN(C(=O)CSc2nc(-c3cccs3)nc3ccccc23)CC1 5288277 LRLJHVAJVBBERO-UHFFFAOYSA-N 383.542 4.709 0 40 GJAB COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1N1CCCCC1=O 5441913 CKTVZFJCWDFNQJ-UHFFFAOYSA-N 393.270 4.771 0 40 GJAB COc1ccc(Cl)cc1NC(=O)COc1ccc(OCc2ccccc2)cc1 6084367 ABHGWWWFBQGFCN-UHFFFAOYSA-N 397.858 4.945 0 40 GJAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 6154124 KIWMPWGBCSSFHK-UHFFFAOYSA-N 399.450 4.840 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(=O)oc3c(C)c(C)ccc23)c1 7718369 GQWAVFJNMMCYBO-NRFANRHFSA-N 393.483 4.764 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 7724527 FEJZTQIYCRXBQC-UHFFFAOYSA-N 382.813 4.630 0 40 GJAB Cc1ccsc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 7885196 MOALKWFLFNGBKB-FQEVSTJZSA-N 378.453 4.552 0 40 GJAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccccc3[C@H](C)CC)CC2=O)cc1 7929203 RRUBUQXHTIVJKC-IAGOWNOFSA-N 381.472 4.557 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCC1(c2ccccc2)CCC1 8746215 BCDXFCCAIFKCGT-UHFFFAOYSA-N 394.496 4.754 0 40 GJAB Cc1cc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c(C)n1Cc1ccco1 10231581 LRBUGWPBJHOMHA-UHFFFAOYSA-N 392.484 4.506 0 40 GJAB COc1ccc2cnc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cc2c1C 12187876 VSOVPAZJEZESDX-IBGZPJMESA-N 392.474 4.640 0 40 GJAB CCN1C[C@@H](c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CC1=O 12539324 QIZRBBHXGGBHGL-ZDUSSCGKSA-N 388.298 4.727 0 40 GJAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Br)cc1F 12896592 SCMHPIZMFKFCIH-UHFFFAOYSA-N 377.238 4.964 0 40 GJAB CC(=O)c1ccc(NCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 15288265 YRHUPPYKNOIUAE-UHFFFAOYSA-N 386.495 4.640 0 40 GJAB COc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)cc1 17208871 UKOMDDRCYIINPY-UHFFFAOYSA-N 388.471 4.810 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 18048217 NGKFHWXUNJQCCB-GOSISDBHSA-N 377.488 4.560 0 40 GJAB O=C(c1ccc(F)cc1)N1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19687719 BNUSZRTVGSQEQA-OAQYLSRUSA-N 396.849 4.755 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c(C)c1 20144060 DBLXQHKBILUKTR-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB CCN(C(=O)CCc1nc(-c2ccsc2)no1)C12CC3CC(CC(C3)C1)C2 21588596 FGFYUZMXLIVVJJ-UHFFFAOYSA-N 385.533 4.548 0 40 GJAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1N1CCCC1 23866661 BRVYGVRPRUEZMA-UHFFFAOYSA-N 385.511 4.634 0 40 GJAB Cc1ccc([C@H](CNC(=O)c2ccc(OCC(C)C)cc2)N2CCCC2)cc1 27793037 OBGIFNRDYRMEID-QHCPKHFHSA-N 380.532 4.597 0 40 GJAB Cn1c(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)nc2ccccc21 28229773 ANYKXEMTGVKWJN-UHFFFAOYSA-N 381.819 4.651 0 40 GJAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)Nc1ccc(C(C)(C)C)cc1 28906241 FLIJOCZIHVXATA-UHFFFAOYSA-N 389.499 4.614 0 40 GJAB Clc1ccccc1-c1ccc(CNCc2ccc(N3CCOCC3)nc2)s1 30636516 LHRGGLABEDMPOM-UHFFFAOYSA-N 399.947 4.590 0 40 GJAB COc1ccc(S[C@H](C)C(=O)NCCSCc2ccc(C)cc2)cc1 30753014 AEFWZKRCASTQBK-MRXNPFEDSA-N 375.559 4.534 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)c1C 30822160 PSDTZUMWNVEVNP-UHFFFAOYSA-N 394.500 4.644 0 40 GJAB CCN(CC)CCOc1ccc(CNC(=O)c2occc2-c2ccccc2)cc1 32926657 MAYQHYOZLQXDMH-UHFFFAOYSA-N 392.499 4.597 0 40 GJAB O=C(NCc1ccc2c(c1)OCCO2)[C@H](Sc1ccccc1)c1ccccc1 32971856 HBASCNJYJFFCIU-JOCHJYFZSA-N 391.492 4.608 0 40 GJAB CC(C)(C)c1ccc(C2(C(=O)Nc3cccc(NC(=O)NC4CC4)c3)CC2)cc1 36395195 JGBJTZXGURXDBJ-UHFFFAOYSA-N 391.515 4.938 0 40 GJAB CCn1cc(/C=C2\NC(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 39556411 CKWRAYNQAUJVHV-UNOMPAQXSA-N 375.497 4.540 0 40 GJAB CSc1ccccc1CN1CCC(CNC(=O)c2ccccc2Cl)CC1 43991160 LDKAORWGHNCRQS-UHFFFAOYSA-N 388.964 4.704 0 40 GJAB O=c1[nH]c(N2CCc3ccccc3C2)nc2c(-c3ccc(Cl)cc3)csc12 44169346 LKHCCVDCBRBVHR-UHFFFAOYSA-N 393.899 4.868 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C 44947134 KKYATWFVLDVMQQ-FXAWDEMLSA-N 382.504 4.628 0 40 GJAB O=C(Nc1ccccn1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 49546303 YYAPXHCQADPERI-OAQYLSRUSA-N 389.499 4.515 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccnc1SC1CCCC1 69950871 QBHRQWIGGDOLGI-IBGZPJMESA-N 399.560 4.666 0 40 GJAB O=C(NCc1cccc(-c2ncc[nH]2)c1)Nc1nc(-c2cccc(F)c2)cs1 96012651 SOTWRHNEZMYHDL-UHFFFAOYSA-N 393.447 4.661 0 40 GJAB O=C([C@@H]1C[C@H]1c1ccccc1Br)N1CCC[C@@H]1Cc1ccccc1 107349240 HUUODBQVWVZRDT-NZSAHSFTSA-N 384.317 4.786 0 40 GJAB Cc1cc(C)c2[nH]c(C)c(CC(=O)NCC3(N4CCCCC4)CCCCC3)c2c1 141535425 ANTZUIPVHQJPBD-UHFFFAOYSA-N 395.591 4.941 0 40 GJAB COc1ccc2ccccc2c1CCC(=O)NC[C@@H]1CCCN1c1ccccc1 207989304 QZWQZCXTXSWQIS-NRFANRHFSA-N 388.511 4.566 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(CC)cc1 222897423 YYLPLILKTMHWQM-QFIPXVFZSA-N 383.532 4.944 0 40 GJAB CC(C)CSc1nnc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)s1 223321517 YDMFNNXZUGMPLX-ZDUSSCGKSA-N 391.562 4.571 0 40 GJAB Cc1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c1 223932501 SNPBNVLCWPHJEL-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224720409 ZJLPGXKAMBZRIY-MRXNPFEDSA-N 387.892 4.963 0 40 GJAB O=C(O)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 225553238 ZZQKUMZDJFRCPV-UHFFFAOYSA-N 387.863 4.644 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225686730 YLMODNZMBMQERF-AREMUKBSSA-N 396.534 4.555 0 40 GJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225845655 YSQAIAZUMXJSPI-OAQYLSRUSA-N 379.497 4.574 0 40 GJAB O=C(c1cnn(Cc2ccccc2)c1)N(Cc1ccccc1)Cc1ccccc1 225889766 OBIAYTUHZSVYLU-UHFFFAOYSA-N 381.479 4.774 0 40 GJAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC)CC1 257253397 JYTUWNUCBIYYTQ-UHFFFAOYSA-N 398.572 4.503 0 40 GJAB COc1cccc2c1OC1(CCN(Cc3ccc(F)cc3)CC1)[C@H]1CCCO[C@H]21 257266997 MFLNYQJVZIWLOB-RBBKRZOGSA-N 397.490 4.729 0 40 GJAB COc1cc(CNc2cccc(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 409267856 PIWXFGZCFXLGJH-UHFFFAOYSA-N 390.483 4.942 0 40 GJAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)[C@H]1C[C@H]2CC[C@H]1O2 504549159 SZVJBDFFWMJHCH-WSTZPKSXSA-N 376.481 4.983 0 40 GJAB O=C(Nc1cc(-c2ccccc2F)on1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 1217068356 QZTYAHVVPDUTQL-XLIONFOSSA-N 399.397 4.662 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccc(F)cc2F)CN1c1cccc(F)c1 1615120104 KPFSODJUTYJHEP-QFIPXVFZSA-N 388.433 4.768 0 40 GJAB Cc1ccc(CC(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)cc1 1615121204 NHRXAWXBDYPTKE-DEOSSOPVSA-N 380.507 4.727 0 40 GJAB CCCOC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CC[C@H](C)C2 2093190 OIISENRKAFLXGX-NSHDSACASA-N 392.908 4.740 0 40 GJAB Cc1ccccc1Cc1nnc2sc(COc3ccc4ccccc4c3)nn12 2182921 IZLRWYJVWLDYDG-UHFFFAOYSA-N 386.480 4.817 0 40 GJAB Fc1ccc(Cc2nnc3sc(Cc4ccc(Cl)cc4Cl)nn23)cc1 2182980 PQXYWBMKVSEZTM-UHFFFAOYSA-N 393.274 4.813 0 40 GJAB Cc1ccc(C)c(OCc2ccc(-c3nc4c5ccsc5ncn4n3)o2)c1 2798362 VIJMYTQPBWZKNW-UHFFFAOYSA-N 376.441 4.795 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3297613 NLULDXLFFZUJQG-UHFFFAOYSA-N 399.498 4.724 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(CN3c4ccccc4C[C@H]3C)cs2)cc1 3420650 DNJJFMNYMQCXNO-MRXNPFEDSA-N 377.513 4.584 0 40 GJAB COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1ccc(F)cc1)=N2 4130012 XVRSBBBKXDYWOV-UHFFFAOYSA-N 379.822 4.922 0 40 GJAB COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)c1OC 4151477 ZDNWPEVWMMJZJR-IFOOKXPKSA-N 379.456 4.699 0 40 GJAB Cc1ccc(C)c(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1 4518157 LNZQAZJCLULFEK-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB Clc1ccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCC6)n[nH]2)cc1 4626238 QDAUUVUERDZQTK-UHFFFAOYSA-N 392.875 4.538 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 4700282 CZIBUGFEGSKNGQ-IBGZPJMESA-N 394.515 4.590 0 40 GJAB CCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(C)cc1 4875209 GPYFGWGEQJEKEB-UHFFFAOYSA-N 377.462 4.734 0 40 GJAB CC(C)c1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C)CC2)cc1 4935668 HDTLHLDCEKBIJP-JOCHJYFZSA-N 375.516 4.775 0 40 GJAB CC(=O)c1sc(NC(=O)[C@H](C)Oc2cccc(C)c2)nc1-c1ccccc1 5607464 HDARXGRBWSKTBQ-HNNXBMFYSA-N 380.469 4.727 0 40 GJAB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1nc(-c2ccccc2)cs1 6389798 UUIVFYGSXMBZEG-UHFFFAOYSA-N 375.453 4.524 0 40 GJAB CCCCc1nnc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)s1 6559941 MKDFICCSWQVDNF-UHFFFAOYSA-N 392.937 4.839 0 40 GJAB CCOc1cc(CNCc2nc3ccccc3[nH]2)ccc1OCc1cccs1 7984392 WPKVLNVHJJPTEZ-UHFFFAOYSA-N 393.512 4.892 0 40 GJAB CCc1ccc(NC(=O)c2ccccc2SCC(=O)NCc2ccco2)cc1 8080784 JCWNIWJVONBRKI-UHFFFAOYSA-N 394.496 4.503 0 40 GJAB Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8280419 LNTVKGHQGZIZBB-UHFFFAOYSA-N 377.469 4.697 0 40 GJAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3c[nH]c4ccccc34)o2)cc1 8313705 KCYFGJMUHACYRW-CYBMUJFWSA-N 393.468 4.980 0 40 GJAB CCN1C(=O)c2cc(NC(=O)c3ccc(OC)cc3)ccc2Oc2ccccc21 9134525 AWCRVHSCBWNRPO-UHFFFAOYSA-N 388.423 4.720 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccco1)Cc1cccs1 9204452 HBIXCNOAHSAVAO-UHFFFAOYSA-N 375.877 4.911 0 40 GJAB CCOc1ccc([C@H]2CCCN2C(=O)CSc2ncnc3sccc23)cc1 9366353 XMLXYQLXGNFJAK-QGZVFWFLSA-N 399.541 4.546 0 40 GJAB COc1ccc(-c2cc(NC(=O)c3ccc(NC(C)=O)s3)ccc2OC)cc1 10865787 CRCNKUURAKEIBB-UHFFFAOYSA-N 396.468 4.643 0 40 GJAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1cc(Cl)cc2cccnc12 12527183 BHQGGKUGYIYTMW-UHFFFAOYSA-N 384.848 4.571 0 40 GJAB CN(Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S)C1CCCCC1 12544012 QWPJRZVDOFXNBE-UHFFFAOYSA-N 397.523 4.826 0 40 GJAB Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1C 12936701 TVCWUEJKONOTSV-UHFFFAOYSA-N 386.495 4.948 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(F)c(Cl)c1 12983489 JHCSRGIXRNGUFH-NSHDSACASA-N 378.856 4.687 0 40 GJAB O=C(Cc1cccs1)Nc1ncc(Cc2ccccc2Br)s1 13005497 ZJQCLFCZCNQORC-UHFFFAOYSA-N 393.331 4.739 0 40 GJAB O=C(Nc1cccnc1)c1ccccc1-c1nc(-c2ccccc2Cl)no1 13213474 MQLLACJGYLKBLX-UHFFFAOYSA-N 376.803 4.704 0 40 GJAB COc1ccc(CCN2CCOc3nc4c(C(C)C)cccc4cc3C2)cc1 13563823 ZCXNZELPNHEAJB-UHFFFAOYSA-N 376.500 4.804 0 40 GJAB O=C(Cc1coc2ccc3ccccc3c12)NCCc1cnn(-c2ccccc2)c1 14847488 LFMPZNCPZGGGGG-UHFFFAOYSA-N 395.462 4.673 0 40 GJAB COc1ccc(NC(=O)[C@@H](C)SCc2cccc(Br)c2)cc1 15493432 NANBOODXVNCWTE-GFCCVEGCSA-N 380.307 4.718 0 40 GJAB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc(F)cc2Cl)cc1 15585957 YXDZVZWYXJVCDV-UHFFFAOYSA-N 376.859 4.535 0 40 GJAB Cc1cc2cc(C(=O)N3CCC[C@@H](c4nnc(-c5ccsc5)o4)C3)ccc2o1 19126389 BGYJXTNOBPNWNE-OAHLLOKOSA-N 393.468 4.873 0 40 GJAB COc1cccc2cc(C(=O)NCCSCc3c(F)cccc3Cl)oc12 19887863 OGUAWUOEFOTJBJ-UHFFFAOYSA-N 393.867 4.897 0 40 GJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 20047665 YFOHXHADQFMYLW-FCHUYYIVSA-N 385.504 4.765 0 40 GJAB N=c1n(CCOc2ccccc2Cl)c2ccccc2n1Cc1ccccc1 20158325 KRELNDZMGKQGTI-UHFFFAOYSA-N 377.875 4.703 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1 22325987 FMYYALHFIFIQBL-UHFFFAOYSA-N 397.500 4.848 0 40 GJAB C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN([C@H](C)c2ccccc2)CC1 22914308 CUXKYTFOCYWFKB-SJORKVTESA-N 396.922 4.830 0 40 GJAB C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 25456141 DGEUMRRTZURLTR-CYBMUJFWSA-N 391.298 4.607 0 40 GJAB CCCCOc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)c1 27794964 LDAJYIOPAQFLQL-HXUWFJFHSA-N 386.561 4.884 0 40 GJAB CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C(C)(C)C 27823440 OYPSGONUYNEJFH-IRXDYDNUSA-N 381.582 4.830 0 40 GJAB CC(=O)c1c(C)nc(C2CC2)nc1SCC(=O)c1cc(C)n(C2CC2)c1C 32908154 FEAYTEBPLAXEPD-UHFFFAOYSA-N 383.517 4.593 0 40 GJAB Cc1c(C(=O)N2CCOC23CCCCC3)oc2cc(Br)ccc12 35671077 WWGLUQZAAGZARV-UHFFFAOYSA-N 378.266 4.637 0 40 GJAB O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccc(Br)cc2)[nH]n1 44837449 SPBXIGDCQJJWQI-UHFFFAOYSA-N 394.631 4.884 0 40 GJAB COc1ccc(NC(=O)CN(C)c2ccc(Oc3ccccc3)cc2)c(OC)c1 58161268 CGRMKJDRWXZQAP-UHFFFAOYSA-N 392.455 4.571 0 40 GJAB O=c1[nH]c2cc(Cc3ccccc3)ccc2n1-c1ccc(Br)cc1 63120213 HKUZPPOUNQSZKH-UHFFFAOYSA-N 379.257 4.672 0 40 GJAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2ccccc2)cc1 70636428 USYNXIFFRHDRQA-OAQYLSRUSA-N 385.385 4.534 0 40 GJAB O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CC=C(c2ccc(O)cc2)CC1 71886855 DXSLSCHZWQCKOO-RBUKOAKNSA-N 387.401 4.830 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214346 PCMGOXCGUOTPAP-HNNXBMFYSA-N 377.485 4.891 0 40 GJAB COc1ccc(CN2CCC[C@@H]2c2cccc(-n3ccnc3C(C)C)n2)cc1 72379118 NVAGRUPUFGKYMU-OAQYLSRUSA-N 376.504 4.736 0 40 GJAB Cc1nc(-c2cc(C)n(CC(=O)N[C@@H]3CCc4c(Cl)cccc43)c2C)cs1 95369435 SPVXVMJBRZAYCY-LJQANCHMSA-N 399.947 4.994 0 40 GJAB COCCn1c(C(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)cc2ccccc21 96223112 JFXBANRSICODHY-FQEVSTJZSA-N 387.483 4.576 0 40 GJAB Cc1ccc(C2=C[C@H](c3ccc(Br)cc3)n3ncnc3N2)cc1C 101071664 SITPCMSPWICDAD-GOSISDBHSA-N 381.277 4.713 0 40 GJAB Fc1ccc([C@H]2C=C(c3ccccc3)Nc3nc(C(F)(F)F)nn32)cc1F 101915743 ZSCKRHBAOJTRKI-OAHLLOKOSA-N 378.304 4.631 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc2ccccc12 219040409 RJALKKUWJSPDCN-GOSISDBHSA-N 377.484 4.755 0 40 GJAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 222760361 ZXXPAWTXQMJMPI-OALUTQOASA-N 383.904 4.906 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1cccc(OC)c1 222929912 GHQGPXBWJUAULW-QFIPXVFZSA-N 383.532 4.899 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 223658754 YNCRJWHZRYQJCU-QFIPXVFZSA-N 383.532 4.899 0 40 GJAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1 223768228 PTNHFBXQHURFNL-JSZIULHXSA-N 390.508 4.787 0 40 GJAB Cc1c(Cl)cnc(NC(=S)NCCCc2ccccc2)c1Br 223961564 DFLUSVZWGQZBKB-UHFFFAOYSA-N 398.757 4.725 0 40 GJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCC 225341019 BRIBHYCXBQGJCB-HSZRJFAPSA-N 394.559 4.651 0 40 GJAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(Br)cc2F)cc1 225464532 PFGQJBBVVLNVBT-SNVBAGLBSA-N 383.286 4.644 0 40 GJAB O=C(c1cc2cccc(Cl)c2oc1=O)N1CCC(Cc2ccccc2)CC1 226040228 JCLZGXJXEZRHMU-UHFFFAOYSA-N 381.859 4.541 0 40 GJAB COc1cc(CO)cc(CSC)c1OC(=O)c1ccc(Cl)c(Cl)c1 226288874 MDGYLKKELFDPPL-UHFFFAOYSA-N 387.284 4.577 0 40 GJAB COc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(N)c1 226349285 DHVQQGBNZAGSRA-UHFFFAOYSA-N 376.334 4.809 0 40 GJAB O=C(c1ccccc1C(F)(F)F)N1CC[C@H](Oc2cccc3cccnc23)C1 238873308 NKVRBSHLFRYQPW-HNNXBMFYSA-N 386.373 4.547 0 40 GJAB COc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1OC 409000263 YBSZUCDWAIOZQE-AQJGMREQSA-N 379.456 4.699 0 40 GJAB O=C1N/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccccc1 409009565 GFQSQZFXEFSSQV-XSFVSMFZSA-N 388.398 4.502 0 40 GJAB Cc1ccccc1CSCCNC(=O)CSCc1ccc(Cl)cc1 409026756 XDDOXZQXWJORJQ-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB CC[C@@H](C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1)c1ccc(OC)cc1 678830312 RSHGSHUAUQLSJF-MRXNPFEDSA-N 387.386 4.815 0 40 GJAB O=C(c1ccc(F)cc1)N(C[C@@H]1CCCO1)c1nc(-c2ccccc2)cs1 882122 WWHJYCSOXITDGV-SFHVURJKSA-N 382.460 4.775 0 40 GJAB Fc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=S)NC2CCCCC2)C3)cc1 1370505 BLBVCNXVLVKROY-NHCUHLMSSA-N 389.584 4.508 0 40 GJAB COc1ccccc1CN1[C@H]2CCC[C@H]1CC(NC(=O)c1cccc(Cl)c1)C2 1377912 UMDZBEWZACIENJ-SFTDATJTSA-N 398.934 4.664 0 40 GJAB c1ccc(-c2cc3c(NC[C@@H]4COc5ccccc5O4)ncnc3s2)cc1 2632466 SYZTWBPKCRNLCK-OAHLLOKOSA-N 375.453 4.610 0 40 GJAB aggregator O[C@@H]1CSc2n(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)[n+]2C1 3227590 DESJAFRCLBNBQQ-NRFANRHFSA-N 385.512 4.565 0 40 GJAB CCCCCn1c(=S)[nH]c2cc(C(=O)N(C)Cc3ccccc3)ccc2c1=O 3630046 FFNHDXAULKQHGR-UHFFFAOYSA-N 395.528 4.521 0 40 GJAB O=C(CSc1ccc(-c2ccncc2)nn1)Nc1ccc(Cl)c(Cl)c1 4392128 YIWRJLFBVKVFFI-UHFFFAOYSA-N 391.283 4.576 0 40 GJAB COc1ccc(-c2nn(CN3CCC(Cc4ccccc4)CC3)c(=S)o2)cc1 4600207 BYMQAHNMXXZDDU-UHFFFAOYSA-N 395.528 4.793 0 40 GJAB Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21 4724165 MTTHZWYSCSYXGX-HXUWFJFHSA-N 392.282 4.838 0 40 GJAB Cc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2c2ccccc2)c1 4815021 SOQYXTAHTUZKSM-XZOQPEGZSA-N 394.478 4.968 0 40 GJAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)C(C)(C)O2 4965847 YBKRHPZIOUTMFE-UHFFFAOYSA-N 394.515 4.618 0 40 GJAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)cc1 5235749 QGGOWZMSWQXNGN-FQEVSTJZSA-N 381.479 4.914 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1c(Cl)cccc1Cl 7002606 ISHUUXFJZNKUCK-UHFFFAOYSA-N 388.298 4.655 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 7929047 DNWCBAJWKUUEOI-GOSISDBHSA-N 379.500 4.950 0 40 GJAB CC(C)[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc2c(c1)OCCCO2 8394878 BZWZIJQTFIPTBT-QGZVFWFLSA-N 395.286 4.677 0 40 GJAB COCCn1c(Cc2ccccc2)nnc1SCc1cccc2ccccc12 8756602 GLCGSSLTMUADGV-UHFFFAOYSA-N 389.524 4.961 0 40 GJAB CC[C@H](NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccc(Cl)cc1 10423619 QBVQGOXYUHNSPF-IBGZPJMESA-N 395.890 4.593 0 40 GJAB CSc1ccc(Cl)c(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 10544497 NBYGUCQJQFSNNM-ZDUSSCGKSA-N 385.920 4.958 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@@H]1c1cnn(C)c1 12119520 AWMGVDAYNMBQPC-GOSISDBHSA-N 398.894 4.794 0 40 GJAB CCOc1cc(CN2CCC(c3cc4cccnc4[nH]3)CC2)c(C)cc1OC 12133402 RSPULGWHKQJKKY-UHFFFAOYSA-N 379.504 4.658 0 40 GJAB Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccccc3)cc(C(=O)O)c12 12395964 IOBUWRSNUGMYLR-UHFFFAOYSA-N 377.831 4.807 0 40 GJAB CCc1ccc(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc1 12753230 VLWHRPSWMSMSGH-UHFFFAOYSA-N 376.485 4.664 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cccc(C(F)(F)F)c1 12800268 YICSWXDQWJJOMD-UHFFFAOYSA-N 387.405 4.780 0 40 GJAB CC1CCN(Cc2ccc(C(=O)N[C@H](C)c3nc4ccccc4s3)o2)CC1 19496924 DCHFGJRTHJDYTL-OAHLLOKOSA-N 383.517 4.612 0 40 GJAB c1ccc(C(c2ccccc2)N2CCN(c3ncnc4ccccc34)CC2)cc1 19681674 SJNZMXPJQGTFGM-UHFFFAOYSA-N 380.495 4.541 0 40 GJAB O=C(Nc1ccc(NC(=O)c2cccnc2Oc2ccccc2)cc1)c1ccco1 21193510 UJLAFYZSZCKNMD-UHFFFAOYSA-N 399.406 4.972 0 40 GJAB CCCCCc1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C)cc1 21557233 ZNJQBFCVIQPUDO-UHFFFAOYSA-N 384.545 4.852 0 40 GJAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2c(c1)N=C(O)CO2 22596794 IMQDKOPQBUXYTH-UHFFFAOYSA-N 386.451 4.619 0 40 GJAB Cc1noc(-c2ccc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)cc2)n1 29639602 VBHGPCIRKSNSSC-UHFFFAOYSA-N 391.427 4.729 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 30858497 MKYANZFHWROAGW-OAQYLSRUSA-N 394.515 4.726 0 40 GJAB O=C(CSc1nc(-c2ccco2)nc2ccccc12)N1CCc2ccccc21 32868650 KFJYAVUQUBVBRC-UHFFFAOYSA-N 387.464 4.571 0 40 GJAB CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1ccccc1F 32910554 JYYRHAKHOXXOPA-HXUWFJFHSA-N 385.479 4.621 0 40 GJAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(F)cc1 33860832 WYEQTGJCPCZPIZ-UHFFFAOYSA-N 391.899 4.596 0 40 GJAB O=C(NCCc1ccccc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 34562146 HSTRHECDIZXXOP-UHFFFAOYSA-N 391.342 4.564 0 40 GJAB O=C(NCc1ccc(Cl)cc1)c1ncoc1-c1cccc(C(F)(F)F)c1 35326948 VEXISDYAYYAZAA-UHFFFAOYSA-N 380.753 4.944 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 36697781 FZJDNGPPENGUGH-PGRDOPGGSA-N 384.479 4.884 0 40 GJAB COc1cn(-c2ccccc2)nc1C(=O)Oc1ccc(C2SCCS2)cc1 58393016 RIVDCOYWBGUOIR-UHFFFAOYSA-N 398.509 4.579 0 40 GJAB CCN(CC)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1 59372743 CHKIYNDAMSPSOR-CENPHQPOSA-N 386.586 4.935 0 40 GJAB Cc1cc(C)c(C(=O)Cn2nc(-c3ccc(CC(C)C)cc3)ccc2=O)cc1C 67206881 VRYMLGGWMLLLIZ-UHFFFAOYSA-N 388.511 4.917 0 40 GJAB O=C(Nc1ccc2cc[nH]c2c1)C1CN(C(c2ccccc2)c2ccccc2)C1 71280972 DRQVYFOHWHZWQC-UHFFFAOYSA-N 381.479 4.828 0 40 GJAB Cn1ccc2c(NC(=O)Cn3ccc4ccc(Br)cc43)cccc21 72324845 FZMDVYWWMQKNIL-UHFFFAOYSA-N 382.261 4.534 0 40 GJAB biogenic Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)c2ccccc2)n1 72376801 VBQHDXKEXAAAAO-LJQANCHMSA-N 392.890 4.747 0 40 GJAB Cc1ccc(Nc2nccc([C@H]3CCCN3C(=O)c3ccc(Cl)cc3)n2)nc1 72377539 RDDCNWLMPVJTRC-GOSISDBHSA-N 393.878 4.554 0 40 GJAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)c2ccccc2)n1 72390719 ODUHTQTWKKKQAH-IBGZPJMESA-N 390.487 4.678 0 40 GJAB FC(F)(F)c1ccc(Cl)c(-c2nn3c(Cc4ccccn4)nnc3s2)c1 72404929 PANFCLHGUDPRQW-UHFFFAOYSA-N 395.797 4.511 0 40 GJAB CCc1nc(CSc2nc(-c3ccccc3Br)n[nH]2)cs1 83830356 YHUJGUFKNRGYTE-UHFFFAOYSA-N 381.324 4.545 0 40 GJAB COc1ccc(Br)cc1CN[C@@H](c1nc2ccccc2[nH]1)C(C)C 98081542 WCTCPXLQBHKBSC-GOSISDBHSA-N 388.309 4.821 0 40 GJAB Cc1cc(=O)c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(O)o1 137818246 QAGPYVBZZQRHNX-IBGZPJMESA-N 379.437 4.717 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(C(=O)OC)c1C 222921284 FRLIKFPEALFILZ-FQEVSTJZSA-N 383.488 4.875 0 40 GJAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(N(C)C)cc1 223882786 HMKGLYHLESIJBG-MOPGFXCFSA-N 394.569 4.695 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224472268 XFZMNUJPWJULTI-OAQYLSRUSA-N 383.532 4.954 0 40 GJAB COc1cc(C)c(C(=O)NCc2ccccc2CN2CCCC2)cc1C(C)C 224805110 FBAXBTXRWTXIHN-UHFFFAOYSA-N 380.532 4.653 0 40 GJAB COC(=O)c1cccc(NC(=S)NCCCSc2ccc(C)cc2)c1C 225587799 DKTZVQZEEWKENQ-UHFFFAOYSA-N 388.558 4.559 0 40 GJAB Cc1cc(C)nc(Nc2ccc(C(=O)NCc3cccc4ccccc34)cc2)n1 225912597 CFBSSIWZGLBGKI-UHFFFAOYSA-N 382.467 4.920 0 40 GJAB COC1CCN(c2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)CC1 253405991 UBJXWZHDDWIJHU-UHFFFAOYSA-N 393.314 4.539 0 40 GJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)n1 257276284 NTCKDNGGBPXUDG-HMXCVIKNSA-N 390.531 4.593 0 40 GJAB COc1ccc(NC(=S)Nc2ccc(Oc3cccc(OC)c3)nc2)cc1 408586650 PLZHVOZFMIKZQP-UHFFFAOYSA-N 381.457 4.700 0 40 GJAB O=C1S[C@@H](Cc2cc3c(cc2Cl)OCO3)C(=O)N1c1ccc(Cl)cc1 409139321 CRWMVRIEJUBMBT-HNNXBMFYSA-N 396.251 4.533 0 40 GJAB O=C(c1cccc2nc(O)[nH]c12)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 1556306612 FZUUSPGEWODNDY-MRXNPFEDSA-N 389.377 4.655 0 40 GJAB CCOc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1OCC 936370 RRJXQBUUVGVZDM-PKNBQFBNSA-N 390.277 4.898 0 40 GJAB O=c1c(Cl)c(Cl)cnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 2243804 YHUPDMNQDDZRJO-UHFFFAOYSA-N 377.964 4.865 0 40 GJAB CC(C)C[C@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@H](C(C)C)C[C@H]12 4098422 GCAXPYWXIWWHHT-YXNWKPIHSA-N 386.488 4.852 0 40 GJAB biogenic,in-vitro Cc1occc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1Cc1ccco1 4411446 LZBNWGJPANPZRZ-UHFFFAOYSA-N 397.431 4.602 0 40 GJAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1Cl 4557592 FMIVZCLVVSWWBS-LIKPIUCQSA-N 385.850 4.737 0 40 GJAB biogenic Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccccc1 4585237 CUCZWAILEIEBGL-UHFFFAOYSA-N 389.842 4.658 0 40 GJAB Cc1cc(C)n2c(Nc3ccc4c(c3)OCCO4)c(-c3ccsc3)nc2n1 4734340 GRNKEYCXLPGYGA-UHFFFAOYSA-N 378.457 4.589 0 40 GJAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1 4854448 SRFRKKQLYQBEAW-LJQANCHMSA-N 389.352 4.682 0 40 GJAB CCCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 4861119 FXCSSBISFZGONV-UHFFFAOYSA-N 375.881 4.967 0 40 GJAB CC(C)CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1nnc(-c2ccncc2)s1 4881397 UMGPQAILACMIOR-UHFFFAOYSA-N 396.560 4.806 0 40 GJAB COc1ccc(-c2nnc(S[C@H]3CCCCC3=O)n2-c2ccccc2F)cc1 5638232 SOUWDQHFQNJTLC-IBGZPJMESA-N 397.475 4.686 0 40 GJAB CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O 6094118 GPXKUJBZHWBHML-CQSZACIVSA-N 391.496 4.570 0 40 GJAB O=C(CSCc1ccc(Br)cc1)NCc1ccc(Cl)cc1 6241911 QHBZZDWHNLYNFJ-UHFFFAOYSA-N 384.726 4.652 0 40 GJAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCOC)C1=O 6651804 KGZJNSLRPNQECD-RGEXLXHISA-N 385.485 4.701 0 40 GJAB CCOc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)ccc1OCC(C)C 6830911 VEGMVCJAWSFJBL-UHFFFAOYSA-N 397.500 4.891 0 40 GJAB Cc1ccccc1-c1nnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)o1 7179930 NPZLTRCQZYNIBX-GOSISDBHSA-N 379.485 4.501 0 40 GJAB COc1cc(C(=O)N[C@@H]2CCOc3ccccc32)ccc1OCc1ccccc1 7215578 NKKGGJAYYIIBBY-HXUWFJFHSA-N 389.451 4.528 0 40 GJAB C[C@H](Sc1nnc(C2CC2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 7288614 ZSHSJUHLWMBYKI-ZDUSSCGKSA-N 381.457 4.859 0 40 GJAB S=c1[nH]ncn1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 7602570 YEOSCWYDOQRSEY-UHFFFAOYSA-N 381.288 4.570 0 40 GJAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1c2ccccc2Oc2ccccc21 7696761 YZJAHVLOEMIFIU-UHFFFAOYSA-N 395.462 4.769 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cccc(C)c1 8112726 LRFAUSGGJVVAJD-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB CCCCCn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 8625533 DPAIJUHXNAPKFI-QGZVFWFLSA-N 377.488 4.756 0 40 GJAB O=C(NCCc1ccc(Cl)cc1)c1ccc2nc(-n3cccc3)sc2c1 9485672 INRGVQWYAURETE-UHFFFAOYSA-N 381.888 4.713 0 40 GJAB O=C(/C=C/c1cc(Br)ccc1F)N1CCc2[nH]c3ccccc3c2C1 9901254 XVBIGBAIBYVIHR-VMPITWQZSA-N 399.263 4.668 0 40 GJAB CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cn(-c2ccccc2)nc1C 10384822 NNOPNTJRZFYJOW-NRFANRHFSA-N 378.863 4.532 0 40 GJAB O=C(NCCCCOc1ccccc1)c1cc(Br)ccc1Cl 11079397 ZDRUYCZBULCABX-UHFFFAOYSA-N 382.685 4.692 0 40 GJAB COc1ccc2[nH]c(=O)c(CNc3ccc(N(C)C4CCCCC4)cc3)cc2c1 12088330 BVADFNBSBIMBQM-UHFFFAOYSA-N 391.515 4.918 0 40 GJAB COc1cc(/C=C/c2ccccn2)ccc1OCc1nnc(-c2ccc(C)o2)o1 12462513 MBZWQVXDRTTZHX-VQHVLOKHSA-N 389.411 4.791 0 40 GJAB C[C@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccccc1N1CCCCC1 12555908 FXTGECIHNGTQOV-MRXNPFEDSA-N 382.533 4.981 0 40 GJAB Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)o1 12797613 KDIWAPACOOWFAI-UHFFFAOYSA-N 383.256 4.758 0 40 GJAB CSc1cccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)c1 12901194 YHXOSPKIKGRMDB-UHFFFAOYSA-N 384.530 4.667 0 40 GJAB O=C(Nc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)cc1)c1ccccc1 12903331 ZBEPBSPOGOWYNL-UHFFFAOYSA-N 390.405 4.790 0 40 GJAB C[C@@H](NC(=O)c1ccc(F)cc1Br)c1ccc(OC(F)F)cc1 13012121 RRPGBAHWJCOFNW-SECBINFHSA-N 388.183 4.681 0 40 GJAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 14701580 OJBKOVXFEFJFRI-CQSZACIVSA-N 383.879 4.642 0 40 GJAB COc1ccc(Cl)cc1-c1nc2c3c4c(sc3ncn2n1)C[C@H](C)CC4 15107773 LMCFJIKTINIGDG-SNVBAGLBSA-N 384.892 4.793 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1csc(-c2ccc(C)cc2)n1 15832581 OLZDCTSYYNUROI-GOSISDBHSA-N 384.476 4.731 0 40 GJAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2F)o1 15881499 NETWLTJUAALJCI-UHFFFAOYSA-N 378.407 4.593 0 40 GJAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(Br)ccc1Cl 25047746 PWYZMUFISROIEY-PWSUYJOCSA-N 384.623 4.953 0 40 GJAB COc1cc(OC)cc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1 30301478 KVKRKPBRFPGRKU-UHFFFAOYSA-N 379.378 4.527 0 40 GJAB O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c(OC(F)(F)F)cccc12 35087136 FCDSQVFIXQXOQB-UHFFFAOYSA-N 397.736 4.781 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2ccc(Cl)cc2)c1[C@@H]1C(=O)Nc2ccccc21 36360290 KHTDEQDDEDYTDF-QGZVFWFLSA-N 380.831 4.514 0 40 GJAB O=C(Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F)c1ccccn1 38490114 SCGKNIHWCYRTKN-UHFFFAOYSA-N 385.345 4.605 0 40 GJAB CS(=O)(=O)c1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 38558341 ZEIHWBIRYIXBSV-UHFFFAOYSA-N 391.663 4.719 0 40 GJAB in-vitro O[C@@H](CNCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 39979581 MZJJVHCSFDHRPY-QHCPKHFHSA-N 387.458 4.502 0 40 GJAB O=C(CCc1nc(Cc2ccccc2)no1)Oc1cccc(Cl)c1Cl 40128604 HVZLWIIXEUMXLK-UHFFFAOYSA-N 377.227 4.505 0 40 GJAB C[C@H](NC[C@H](O)COCC(c1ccccc1)c1ccccc1)c1ccccc1 40373196 YXBCIFNYBRWTHM-RDPSFJRHSA-N 375.512 4.547 0 40 GJAB CCCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)c2ccccc12 41095841 MWNPFPXZNSLSAX-UHFFFAOYSA-N 381.497 4.770 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 45643099 HMWTYDMUEJCYJH-SFHVURJKSA-N 394.515 4.760 0 40 GJAB COc1cc([C@@H]2SC(C)=Nc3c2c(C)nn3Cc2ccccc2)ccc1O 72404920 LQXMBFXLJSXSKX-FQEVSTJZSA-N 379.485 4.840 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2sccc2C)o1 84257528 UARNSPDIHODYCG-UHFFFAOYSA-N 377.469 4.741 0 40 GJAB C[C@@H]1CN(c2ccccc2CN2CCCCC[C@@H]2c2ccncc2)C[C@@H](C)O1 95453811 VAJSQJIBUOOABE-TXTKFYIRSA-N 379.548 4.813 0 40 GJAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1csc(-c2ccccn2)n1 96941424 BOCUNIVZWHMUFP-RIYZIHGNSA-N 385.495 4.503 0 40 GJAB CC(C)[C@@H](NCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 96996599 IZXOVNQXOYBJDV-XMMPIXPASA-N 388.515 4.675 0 40 GJAB CC(C)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 97994322 JAUJIPDYRKXJMH-RCCKNPSSSA-N 399.454 4.693 0 40 GJAB CCCNc1c(NC(=O)c2ccc(OCCC)cc2)c(=O)oc2ccccc12 101094266 IEJPPANMWHZNCR-UHFFFAOYSA-N 380.444 4.656 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccc(Cl)cc1 216434275 OIDVYDBPLBSQGJ-IBGZPJMESA-N 393.936 4.556 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)C1(c2ccccc2)CCCC1 222880835 YHORESHPQZUEKT-UHFFFAOYSA-N 381.501 4.659 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)cc(C)c1Cl 223235579 GGDXOOQPQCKRPO-ZDUSSCGKSA-N 387.892 4.881 0 40 GJAB Cc1cc(C)c([C@H](C)NS(=O)(=O)Cc2cccc(Br)c2)cc1C 223493333 JAXXIMMAJBDZAM-HNNXBMFYSA-N 396.350 4.555 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SC(C)C)s1 223498891 SMRHVORISPPSBD-MRXNPFEDSA-N 391.562 4.714 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccccc1C(C)(C)C 223714745 UCEBVMUDHYIHJA-FQEVSTJZSA-N 383.532 4.954 0 40 GJAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(N2CCCC2)cc1 224918402 JTMZFNRNYRAWQS-UHFFFAOYSA-N 385.316 4.536 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCCC1 225656980 SMDWPNKLAPVMEO-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1Nc1ccccc1 225937454 VCDZWOTXDLWVDZ-YCAMKHIRSA-N 394.474 4.752 0 40 GJAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(F)c(N)c3)o2)c(Br)c1 226764328 OTQXJIRPSVKYGX-UHFFFAOYSA-N 389.224 4.991 0 40 GJAB Cc1nc(CN2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)cs1 257231346 GGGXRVJWUZQLLJ-PZJWPPBQSA-N 398.572 4.983 0 40 GJAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccccc2C)c1 408699554 XUXWLUJWPYIGJP-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CC1CCN(C(=S)Oc2cccc(C(=O)Nc3cccc(Cl)c3)c2)CC1 408722507 UYRPGYCRUVEOJO-UHFFFAOYSA-N 388.920 4.988 0 40 GJAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1cccc(Cl)c1 409231587 KDUJVTXQXUCBBU-UHFFFAOYSA-N 388.920 4.519 0 40 GJAB O=C1C[C@@H]([C@H]2CC=CCC2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1 524731881 NPFREZSWVDKTAI-HOCLYGCPSA-N 388.419 4.915 0 40 GJAB biogenic O=C(Nc1cccc(CNC[C@@H]2COc3ccccc32)c1)c1ccccc1Cl 585083636 UKOMALADOYMRJY-QGZVFWFLSA-N 392.886 4.858 0 40 GJAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CCCC12CCCCC2 661435985 RFLMGXQHZGCLCV-GFCCVEGCSA-N 375.460 4.806 0 40 GJAB CCOC(=O)c1c(C)n(-c2ccc(Br)cc2)c2ccc(OC)cc12 1025414 UDBXMVSUTISSOD-UHFFFAOYSA-N 388.261 4.887 0 40 GJAB biogenic COc1ccc(-c2cnn3c(C)c(Cc4cnc(Cl)s4)c(C)nc23)cc1 1395187 LPEMMSFOZLWVMT-UHFFFAOYSA-N 384.892 4.722 0 40 GJAB O=C(Nc1ccccc1)Nc1nnc(N2CCC(c3ccccc3)CC2)s1 1418500 RTKGOEBTZPPWNF-UHFFFAOYSA-N 379.489 4.566 0 40 GJAB CCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)CC1 1447586 AMHFGGSHEKMWRM-UHFFFAOYSA-N 397.526 4.538 0 40 GJAB Cc1cccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)c1 2412412 ZPQLJIIRNZOQQX-MRXNPFEDSA-N 391.858 4.603 0 40 GJAB CCc1cccc(C)c1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 2654359 HHKWPURYPPIFHJ-UHFFFAOYSA-N 397.478 4.568 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)/C=C/c1ccco1)CC2 3327144 MPKVZPMHOLHSSC-VQKOGROQSA-N 395.480 4.546 0 40 GJAB CCOC(=O)c1sc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)nc1C 3330458 ZUJNSADZICWSDY-UHFFFAOYSA-N 392.908 4.732 0 40 GJAB C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 3443331 ANKHGFUNSXDGDI-INIZCTEOSA-N 390.439 4.689 0 40 GJAB O=C(CCc1ccccc1)NC[C@H](c1cccs1)N1CCc2ccccc21 4305573 JIVMFVDNZOUXQN-OAQYLSRUSA-N 376.525 4.601 0 40 GJAB CCOC(=O)[C@H](C)Oc1ccc2oc(=O)c(-c3ccc(Cl)cc3)c(C)c2c1 4340669 UJRKILQWACUTQW-ZDUSSCGKSA-N 386.831 4.752 0 40 GJAB biogenic Cc1cccc2sc(N(CCCN(C)C)C(=O)c3cccc(Cl)c3)nc12 4359672 QJKOPSKPSVXPTM-UHFFFAOYSA-N 387.936 4.857 0 40 GJAB CCSc1nnc([C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)C2CCCC2)n1C 5001645 FYDQXIYEGKWOOA-OALUTQOASA-N 398.576 4.565 0 40 GJAB CCCCNc1nc2ccccc2n1CC(=O)Nc1cc(Cl)ccc1OC 5266547 ZHUURKZDLZCTCO-UHFFFAOYSA-N 386.883 4.549 0 40 GJAB COc1cc(Cl)c(C)cc1NCC(=O)Nc1cc(C)c(Cl)cc1OC 5937778 LSFQFNCXSLDTPC-UHFFFAOYSA-N 383.275 4.678 0 40 GJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc(C)c3)cc2)cc1 6283876 HUDSSLQOTRCLIU-UHFFFAOYSA-N 388.419 4.562 0 40 GJAB O=c1cc(CSCc2ccc(Cl)cc2)nc2sc3c(n12)CCCC3 6738853 UTNAHSUZZPTTSM-UHFFFAOYSA-N 376.934 4.722 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(F)c1)Cc1ccco1 6747603 CTCDEAONXMOACQ-UHFFFAOYSA-N 387.838 4.988 0 40 GJAB C[C@H](C(=O)Nc1cccc(Br)c1)N1C(=O)c2cccc3cccc1c23 6824084 SEQABABRGBPHLS-GFCCVEGCSA-N 395.256 4.590 0 40 GJAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc(Cl)c3C)n2)cc1 7456068 HEWDYDFBHNKSHM-CYBMUJFWSA-N 386.908 4.861 0 40 GJAB Cc1nc(SCC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c2c(C)c(C)sc2n1 8560411 ZWLJAPQIMIACMF-JKSUJKDBSA-N 389.590 4.747 0 40 GJAB Cc1csc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)n1 8765489 NXLXCMWGHFVDIS-UHFFFAOYSA-N 396.468 4.801 0 40 GJAB biogenic O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc(C2CC2)nn1-c1ccccc1 9428815 UZOXKSPRAYEIAH-GOSISDBHSA-N 393.487 4.856 0 40 GJAB CSc1ncc(C(=O)Oc2cc(C)ccc2Cl)n1-c1ccc(F)cc1 12535375 RISJOHVBUOVESX-UHFFFAOYSA-N 376.840 4.914 0 40 GJAB COc1cc(OC)c([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1OC 12571894 GZNYROBUUJSGNW-HSZRJFAPSA-N 387.439 4.702 0 40 GJAB COc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)ccc1C 12767175 BZLVRNJADKDQLY-UHFFFAOYSA-N 390.487 4.631 0 40 GJAB CN(C)[C@H](CNC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccco1 12778523 WKMOXYHHOUOIPH-LJQANCHMSA-N 391.496 4.589 0 40 GJAB CN(Cc1ccccc1Cl)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 12941963 VVJURLLEAVDOSS-OAQYLSRUSA-N 381.903 4.879 0 40 GJAB CC(C)n1ncc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cnc21 12997942 FKTDZCYNWNOWFL-LLVKDONJSA-N 393.274 4.725 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(C2CCCCC2)s1 13571299 GIMBPRQYMNGSIS-UHFFFAOYSA-N 386.304 4.910 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14013484 ZWXBFWANFQUHBR-QFIPXVFZSA-N 394.515 4.854 0 40 GJAB Cc1ccc(CN(CCc2ccccc2)CC(=O)Nc2sccc2C#N)s1 15520174 FMEZTSWZJYRSOJ-UHFFFAOYSA-N 395.553 4.673 0 40 GJAB CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 15883100 MSCFLLURQDTJDP-UHFFFAOYSA-N 384.888 4.524 0 40 GJAB Cc1ccc(CC(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 19209462 KLXHYEULACEWKY-MRXNPFEDSA-N 399.441 4.726 0 40 GJAB COc1ccc(SCC(=O)NC(c2ccccc2)c2ccccc2)cc1OC 20043301 ALDRYUNDWYWOSA-UHFFFAOYSA-N 393.508 4.702 0 40 GJAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1OC 20460133 LNZXEAXWKYITIL-JKSUJKDBSA-N 379.456 4.502 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3Br)no2)cc1 21786636 CSMKMQVVPSXQEM-UHFFFAOYSA-N 387.233 4.755 0 40 GJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3nnc(C(C)C)s3)c12 22311226 WWCJYAQWGRSNBW-UHFFFAOYSA-N 397.435 4.565 0 40 GJAB CC(=O)Nc1cccc(-n2c(SCc3ccccc3F)nnc2C2CC2)c1 26131999 ULWPWCKZLJDLMC-UHFFFAOYSA-N 382.464 4.535 0 40 GJAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(C2SCCCS2)cc1 29330595 DHPLXULIXOTCLY-UHFFFAOYSA-N 383.542 4.704 0 40 GJAB FC(F)(F)c1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1 29842892 WYIYZOXWNYJKBL-UHFFFAOYSA-N 377.435 4.637 0 40 GJAB CCOc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)c2cccnc12 32622579 GKNUFVQEXKUDQV-UHFFFAOYSA-N 389.411 4.549 0 40 GJAB CCOc1ccccc1OCC(=O)N1CCc2sccc2[C@H]1c1cccs1 32781471 KBZUOONBVAINPQ-NRFANRHFSA-N 399.537 4.761 0 40 GJAB CC(C)c1ccc(NC(=O)CSc2nccc(N3CCCCCC3)n2)cc1 33309962 VCTRPIXFJWOMFW-UHFFFAOYSA-N 384.549 4.711 0 40 GJAB CCc1ccccc1NC(=O)c1sc2nc3cc4c(cc3cc2c1N)OCO4 35310926 GZIYEOLYWCVRDO-UHFFFAOYSA-N 391.452 4.575 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2cccc(Br)c2)cc1OC 36396153 MOIGCLVVXOISNC-KRWDZBQOSA-N 376.294 4.803 0 40 GJAB CCn1ncc2c(C(=O)Nc3ccccc3C(C)=O)cc(-c3ccccc3)nc21 36615864 WJJWENWHWRLQBD-UHFFFAOYSA-N 384.439 4.573 0 40 GJAB Cc1ccc(C(=O)c2ccccc2C(=O)N[C@@H](C)c2sc(C)nc2C)cc1 58416787 AGEWFUBBXZSCBS-HNNXBMFYSA-N 378.497 4.790 0 40 GJAB CC(C)CCC[C@H](C)NC(=O)C1CCC(Cn2cnc3ccccc3c2=O)CC1 61721006 KZRHTEGJCHXUCF-HDYDNRTBSA-N 397.563 4.534 0 40 GJAB O=C(c1cccc(OCc2ccc(F)cc2)c1)N1CCC[C@H](c2nccs2)C1 67047610 QAXHXDXNKVEWCV-SFHVURJKSA-N 396.487 4.881 0 40 GJAB O=C(Cc1ccccc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359450 BGYADBOTEVEGGW-UHFFFAOYSA-N 391.902 4.746 0 40 GJAB COc1ccc(CCC(=O)NCc2sc(-c3ccccc3F)nc2C)cc1 90592911 XAYPFNQAYJGSLF-UHFFFAOYSA-N 384.476 4.515 0 40 GJAB Cc1c(CNC(=O)Cc2ccccc2F)sc2nc(-c3ccc(F)cc3)cn12 90593760 RFLTUYHJJZJWAM-UHFFFAOYSA-N 397.450 4.508 0 40 GJAB CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NCc3ccccc3)c3ccccc3O2)C1 95455495 ZKZNSGBMOZTZPV-YKSBVNFPSA-N 394.515 4.680 0 40 GJAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1F)N1CCCCC1 95471183 WJMDGUQPTIVEBF-UHFFFAOYSA-N 399.416 4.890 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2)no1 95482408 ZWZTUWCRAVCFSQ-INIZCTEOSA-N 387.892 4.577 0 40 GJAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(-c2ccccc2)cc1)CC3 97993526 YVEFWDKZSBDOOT-RGEXLXHISA-N 394.430 4.706 0 40 GJAB Cc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cccc(Cl)c2Cl)C3)nc1 100149323 YTZBYXFPBQIQNM-IRXDYDNUSA-N 391.342 4.817 0 40 GJAB O=c1nc2n(nc1-c1ccc(F)cc1)[C@@H](/C=C/c1ccccc1)Nc1ccccc1-2 101459187 NTZHBGGNRGJLQX-VPFXQZGESA-N 396.425 4.749 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(O)cc2)C[C@@H](c2cccc(Cl)c2)C1 102677051 NXIMKWOUYDXZFQ-VLIAUNLRSA-N 392.846 4.702 0 40 GJAB Cc1ccc(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C 223007004 MMXZKFYMHACSGA-UHFFFAOYSA-N 390.449 4.604 0 40 GJAB COc1ccc(CN(C)C(=O)CCc2ccc(Cl)c(Cl)c2)cc1OC 225339443 KZWFVOZRCZGZNV-UHFFFAOYSA-N 382.287 4.602 0 40 GJAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c1 225538303 ZQTGLCCFMVEUDP-KRWDZBQOSA-N 381.545 4.786 0 40 GJAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 225836958 IJFSFEVHAMLWEP-MRXNPFEDSA-N 393.487 4.679 0 40 GJAB Cc1cc(CN(C(=O)c2ccc3[nH]c(Cl)nc3c2)C2CCCC2)c(C)n1C 225985896 PXNMUWRQZQREAW-UHFFFAOYSA-N 384.911 4.757 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1 226253173 KJEKDPWSLLFHJH-QGZVFWFLSA-N 381.520 4.789 0 40 GJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)S1 260788406 ZVLNZFDLYYJSRA-JSNMRZPZSA-N 378.476 4.601 0 40 GJAB CC[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 589411807 DAPITVHFLWUZHK-KRWDZBQOSA-N 393.418 4.755 0 40 GJAB O=C(NCc1cccc(OC2CC2)c1F)Nc1cccc(C2CCOCC2)c1 626878572 YSPVITOITDDBOZ-UHFFFAOYSA-N 384.451 4.583 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)N[C@H]1CCO[C@H](c2cccs2)C1 653214698 SQFNILSADFXOFT-ZFWWWQNUSA-N 385.316 4.774 0 40 GJAB O=C1N/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccccc1F 2394403 YAAIZQNTEYBBHG-PDGQHHTCSA-N 394.427 4.663 0 40 GJAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 2634772 BHKPVOOTZZBNHN-QFIPXVFZSA-N 385.467 4.528 0 40 GJAB Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(N2CCCCCC2)o1 2696696 LDPQBTOEWBUCPZ-UHFFFAOYSA-N 396.512 4.863 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CC1CCCC1)CC2 3230594 UZGSWGSCCYSRFH-JOCHJYFZSA-N 385.529 4.820 0 40 GJAB CCCn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4033371 NESFLZLSHCKYPZ-CQSZACIVSA-N 398.304 4.729 0 40 GJAB O=C(C[C@H](NCc1ccc(F)cc1)C(=O)O)c1ccc(C2CCCCC2)cc1 4118418 YEMJFOZMLWLKJS-NRFANRHFSA-N 383.463 4.689 0 40 GJAB C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1Cl 4332073 YKHWRDOSDSLPOC-SNVBAGLBSA-N 378.211 4.924 0 40 GJAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)C1(C)C 4721862 DOAPFWMHYCYJDH-SFTDATJTSA-N 376.500 4.794 0 40 GJAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3F)C2)cc1 4857889 QIDLMQSLSRENAC-JOCHJYFZSA-N 394.471 4.674 0 40 GJAB COc1ccc(-c2cn3c(C)c(C(=O)N(C)C4CCCCC4)sc3n2)cc1 4930957 LNYVSSHVMOYOJN-UHFFFAOYSA-N 383.517 4.785 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c2c(C)c(C)sc2n1 5429083 KCGXOGYVOQPYAQ-XEGUGMAKSA-N 377.579 4.792 0 40 GJAB CCOC(=O)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1 6128665 JFFMTTUHXGEMTQ-SFHVURJKSA-N 379.485 4.541 0 40 GJAB Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1 6140419 CSTZYBSYOOTTDT-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 6553290 CYSIVLPITXEOHE-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1C 6553301 UOXXTIINTLSJSV-UHFFFAOYSA-N 395.484 4.748 0 40 GJAB Cc1ccc2c(COC(=O)Cc3cccc(C(F)(F)F)c3)cc(=O)oc2c1C 6611852 FLMRMUFBCMBIQM-UHFFFAOYSA-N 390.357 4.715 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(-n3ccnc3)cc2)N1CCc1ccccc1 7128351 HTEWLNBPKHHLNN-XMMPIXPASA-N 394.478 4.682 0 40 GJAB Fc1ccccc1-c1nnc2n1N=C(c1ccc(Cl)c(Cl)c1)CS2 7166103 DPMNNCRKTALUDM-UHFFFAOYSA-N 379.247 4.749 0 40 GJAB Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1CCC1=CCCCC1 7495104 LUJTYDNAWCQKIY-UHFFFAOYSA-N 395.528 4.650 0 40 GJAB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1 7988658 KCVNKGJXCAGFNF-UHFFFAOYSA-N 389.492 4.552 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-n3cccn3)cc2)cc1 8074435 MFXLCZXZDGKAHR-QFIPXVFZSA-N 375.472 4.638 0 40 GJAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1cccn1C)c1ccc(-c2ccccc2)cc1 8184516 KZUDQFQQDYTJBX-NTKDMRAZSA-N 387.527 4.706 0 40 GJAB O=C(CCCc1cccs1)Nc1cccc(-c2nnc3n2CCCCC3)c1 8209754 DDCIXNAMGCFBSM-UHFFFAOYSA-N 380.517 4.694 0 40 GJAB Cc1ccc(NC(=O)[C@H](Nc2ccc3c(c2)OCCCO3)c2ccccc2)cc1 8390320 BSKZOBJLIURBAK-HSZRJFAPSA-N 388.467 4.948 0 40 GJAB Cc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2)cc1 9019203 VYCTTWHOXZESBO-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB CCOCCSc1nc2c(c(=O)[nH]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 9041507 ZRGTXQFTGBYVBF-QHCPKHFHSA-N 398.572 4.960 0 40 GJAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(Cl)cc1 9320853 CSYLCMNOLZHUDX-UHFFFAOYSA-N 395.889 4.532 0 40 GJAB O=Cc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 9764454 IZGXYYPYZRQZLD-UHFFFAOYSA-N 381.815 4.962 0 40 GJAB CC(C)(C)c1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 10315338 YZRUOYYHBSDUKZ-UHFFFAOYSA-N 384.951 4.919 0 40 GJAB COc1ccc(CN(C(=O)CSc2cc(C)c3ccccc3n2)C2CC2)cc1 12543654 GQZDTCNUOYYRPE-UHFFFAOYSA-N 392.524 4.835 0 40 GJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(F)cc1Cl)O[C@@H](C)C2 12562189 XVRIWGPARVOJGW-NWDGAFQWSA-N 392.858 4.640 0 40 GJAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cc2ccccc2oc1=O 12606977 YFUJXWZLKKOJBV-UHFFFAOYSA-N 382.847 4.689 0 40 GJAB CC[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(C)cc1 12627941 QDCCHDCAVLJQKQ-KRWDZBQOSA-N 390.512 4.736 0 40 GJAB COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)C2CC2)cc1 12820333 PVUHVQNAYJHXOW-ZDUSSCGKSA-N 394.298 4.961 0 40 GJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC[C@@H]2CCCC[C@H]2C1 12896574 KESFVYMUBIQWRS-ICSRJNTNSA-N 386.499 4.587 0 40 GJAB CC(=O)N[C@H](C)c1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1 12974512 YNVFIQWTOGZGCS-LLVKDONJSA-N 386.245 4.623 0 40 GJAB COc1ccc(CCN(Cc2ccncc2)Cc2ccc(F)cc2F)cc1OC 13989522 CNERFUBTIHTCKM-UHFFFAOYSA-N 398.453 4.622 0 40 GJAB CCc1ccc(-c2noc(CCC(=O)Nc3nc(C(C)(C)C)cs3)n2)cc1 14198961 HHYJEJRGKNNAMF-UHFFFAOYSA-N 384.505 4.624 0 40 GJAB CSc1ncc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)n1-c1ccc(F)cc1 15321651 ZBZBVLDZSNQASD-LLVKDONJSA-N 391.418 4.503 0 40 GJAB CCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(CC)cc2)c2cccnc12 15841027 WSPGLHLIAZCVFL-INIZCTEOSA-N 378.472 4.992 0 40 GJAB Cc1ccnc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c1 17078298 PJZBDVRWUJBQII-UHFFFAOYSA-N 383.455 4.562 0 40 GJAB COc1ccc(CNc2ccc([C@@H]3c4ccsc4CCN3C(C)=O)cc2)cc1 19018124 OAACUAWXOBNOKF-HSZRJFAPSA-N 392.524 4.863 0 40 GJAB CCc1cccc(NC(=O)[C@@H](CC)n2nc(-c3cc(C)ccc3C)ccc2=O)c1 20095641 QJCAPCLBBWOQEB-JOCHJYFZSA-N 389.499 4.679 0 40 GJAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)N(C)Cc3cc(C)on3)o2)cc1 25137574 DQCVACFMSQISNV-UHFFFAOYSA-N 387.439 4.886 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 27922606 UNWSCPFPIWOTBY-RBUKOAKNSA-N 379.891 4.944 0 40 GJAB O=C(Cc1ccc(F)cc1)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 32610698 DVCAEMCVUBLZOF-UHFFFAOYSA-N 391.377 4.863 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 32772748 HVUHWZBDOSBXEK-INIZCTEOSA-N 394.689 4.900 0 40 GJAB O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCC[C@@H]1c1ccccc1 32883788 UZEDPSXMNAWIFU-OAQYLSRUSA-N 392.886 4.527 0 40 GJAB CC(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 36442620 MRDRDAGEXQMFNR-NRFANRHFSA-N 396.537 4.598 0 40 GJAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)NCc1ccc(F)cc1 41128089 WGPACGKWRSTEFU-QGZVFWFLSA-N 396.289 4.961 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 44945651 AADNAQOWCQWYQY-GOSISDBHSA-N 382.504 4.548 0 40 GJAB COc1ccc(NC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1NC(C)=O 47484551 OKJMXVIIFDAKMT-UHFFFAOYSA-N 396.274 4.624 0 40 GJAB C[C@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)CC1 58425991 PMWHVEJTUDQLMK-QMMMGPOBSA-N 381.133 4.535 0 40 GJAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc(OC(C)C)cc4)no3)o2)cc1F 65185534 QWDIAWQKOXFVQM-UHFFFAOYSA-N 394.406 4.612 0 40 GJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1cc(-n2cccc2)ccc1F 84606458 XMZMCEQYKWWGCL-FMIVXFBMSA-N 376.840 4.682 0 40 GJAB FC(F)(F)Oc1cccc2c1[C@H]1O[C@@H]2C(Br)=C1Br 95611617 CXXOZCNTZGCSRJ-VHSXEESVSA-N 385.961 4.713 0 40 GJAB CC(C)c1nc(-c2cc(C(=O)NCCc3cccnc3)c3ccccn23)cs1 96154827 BDFDQLCPFPQJLS-UHFFFAOYSA-N 390.512 4.554 0 40 GJAB O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 102354736 JMJXZVUNVBQREH-LHHVKLHASA-N 397.858 4.984 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2Cl)C[C@H](c2ccccc2)C1 102603906 CKIZXYZAHWKWCE-XOBRGWDASA-N 376.847 4.997 0 40 GJAB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(O)C[C@H](c3cccs3)CC1=N2 102713532 QBBKSTSZUCMONY-WYRIXSBYSA-N 398.438 4.991 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\Nc3cccc(O)c3)c3ccccc3C2=O)cc1C 102986626 KZFSJYZENNIJIY-HMAPJEAMSA-N 384.435 4.649 0 40 GJAB Cc1nc(-n2cccc2)sc1C(=O)N1CCS[C@@H](c2ccccc2)CC1 218970446 VQOMZVUAVOKMOI-QGZVFWFLSA-N 383.542 4.563 0 40 GJAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 223097984 VFRFBPKSZXGESW-HSZRJFAPSA-N 394.559 4.604 0 40 GJAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)s1 224554368 SZYFWXBCTWZUIN-RBUKOAKNSA-N 381.526 4.637 0 40 GJAB CCc1ccc(CC)c(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 225350962 UUNFKNQIGWJVDB-NRFANRHFSA-N 398.978 4.993 0 40 GJAB C[C@@H](O)c1ccc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)s1 225687734 CHHOXXPIBOABLA-CQSZACIVSA-N 377.937 4.626 0 40 GJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225693501 YFWBUUGCLCQBOF-AUSIDOKSSA-N 390.568 4.721 0 40 GJAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(Cl)c(Cl)c1 225734347 DRJFBPYNKUFVAY-UHFFFAOYSA-N 381.646 4.600 0 40 GJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)c1OC 239297067 DRMWSOVOERZZOW-LGMIBIRUSA-N 379.456 4.699 0 40 GJAB Cc1cncnc1C1CCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)CC1 257281301 OONQKEAHNPYHML-UHFFFAOYSA-N 387.483 4.530 0 40 GJAB O=C(NC[C@H]1CCCN([C@H]2CCCc3ccccc32)C1)Nc1cccc(F)c1 1167937023 QEAWQNHTGRGNCO-VGSWGCGISA-N 381.495 4.737 0 40 GJAB Cc1ccc(CC(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)cc1 1615154249 FRJJGARFAHAJLR-DEOSSOPVSA-N 380.507 4.727 0 40 GJAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(C(=O)OC)cc1 645485 NUFSLXQMZOYUNX-UHFFFAOYSA-N 378.428 4.504 0 40 GJAB Cc1sc2ncnc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1C 710245 QZXQEKOJVMKGQV-UHFFFAOYSA-N 392.450 4.654 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 1886759 IHAXYHUNEVOAGJ-UHFFFAOYSA-N 396.270 4.968 0 40 GJAB CCCc1cc(-c2noc(C)c2-c2ccc(C(=O)OCC)o2)c(O)cc1OC 2109003 DYFSUAOOKDGWEO-UHFFFAOYSA-N 385.416 4.753 0 40 GJAB biogenic Cc1ccc(-n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1 2297941 HGMKYNFJXVPUKX-UHFFFAOYSA-N 393.450 4.717 0 40 GJAB C[C@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)Nc1ccccc1 3282192 WOFSGIGSJUNKSN-AVRDEDQJSA-N 383.495 4.917 0 40 GJAB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 3606326 NHPIGNMJNDAEAV-UHFFFAOYSA-N 384.657 4.519 0 40 GJAB COc1ccc2oc(C(=O)OCC(=O)C34CC5CC(CC(C5)C3)C4)c(C)c2c1 4319060 LNIWKELXVXXQGX-UHFFFAOYSA-N 382.456 4.692 0 40 GJAB CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1 4727994 CCUNGWISHQWZDE-UHFFFAOYSA-N 381.457 4.939 0 40 GJAB Cc1ccn2c(NCc3ccc4c(c3)OCO4)c(-c3ccc(F)cc3)nc2c1 4848448 UBOITWDXMWLLLF-UHFFFAOYSA-N 375.403 4.790 0 40 GJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21 5136413 IOSDNSYRRPFZKC-UHFFFAOYSA-N 380.532 4.777 0 40 GJAB CCN(Cc1ccccc1)C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 5147372 DGVOXFNIWBUAER-UHFFFAOYSA-N 393.487 4.793 0 40 GJAB O=C(CSc1ccc(-c2cccnc2)nn1)Nc1cc(Cl)ccc1Cl 5442339 WPHITBAJUZJAEC-UHFFFAOYSA-N 391.283 4.576 0 40 GJAB Cc1ccccc1OCC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 5669067 WLUIWLPQESOHOZ-GOSISDBHSA-N 389.451 4.611 0 40 GJAB COCCn1c(C)cc(C(=O)CSc2nc3cc(Cl)ccc3s2)c1C 5780454 GWICNTAJVNYMFV-UHFFFAOYSA-N 394.949 4.989 0 40 GJAB CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(Br)ccc21 5912566 WOLPGGGWZDXCNM-LJQANCHMSA-N 378.285 4.704 0 40 GJAB in-vitro Cc1cccc(COc2ccc([C@H]3S[C@H](C)C(=O)Nc4[nH]nc(C)c43)cc2)c1 6678694 UCHWIYCNBSNFAQ-FOIQADDNSA-N 393.512 4.769 0 40 GJAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)C)cc1 6752961 IPZCMXIEDAKPSC-QFIPXVFZSA-N 375.472 4.861 0 40 GJAB O=C(/C=C/c1ccc2ccccc2n1)OCc1cc(=O)oc2cc3c(cc12)CCC3 6831038 KHYYNALAZHXMTQ-ZHACJKMWSA-N 397.430 4.587 0 40 GJAB Cc1nn(CC(C)C)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112969 WAEVTRCPDRJVNT-FQEVSTJZSA-N 398.894 4.861 0 40 GJAB Fc1ccccc1COc1ccc2ccccc2c1CNn1cn[nH]c1=S 7541574 BFJLJEHJLRGHRG-UHFFFAOYSA-N 380.448 4.556 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](C)Oc3cccc(C)c3)n2)c1 7757644 UCXUDZPUNOYYFZ-CQSZACIVSA-N 398.484 4.542 0 40 GJAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)C(F)(F)F)cc3n2)cc1 8071159 XADFULKPWBGOGO-UHFFFAOYSA-N 396.800 4.917 0 40 GJAB Cc1oc2cc(OCc3nnsc3Cl)ccc2c(=O)c1-c1ccccc1 8312724 GSKMETYAPXKPJQ-UHFFFAOYSA-N 384.844 4.852 0 40 GJAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1 8433648 BSTKZGVZZQSRGO-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB C[C@H](SC(=S)N1CCCC1)c1nc(-c2cccc(C(F)(F)F)c2)no1 9316816 HGJLRQOKDREJGM-JTQLQIEISA-N 387.452 4.930 0 40 GJAB O=C1NC(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)S1 9329537 XRSPZHGMGXNSKE-MHWRWJLKSA-N 381.844 4.517 0 40 GJAB Cc1cc(C)c2nc(Nc3ncc4c(n3)C[C@@H](c3ccco3)CC4=O)nc(C)c2c1 10157472 VEPGPHWECORZLS-OAHLLOKOSA-N 399.454 4.594 0 40 GJAB O=C(Cc1ccc(Br)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 11917917 DTKDANGLUPKZIZ-UHFFFAOYSA-N 388.261 4.672 0 40 GJAB CSc1ncc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1-c1ccccc1 12620050 KHZNCXIILKZHSW-UHFFFAOYSA-N 392.528 4.837 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 12822009 YERRTCINKMHODS-LLVKDONJSA-N 391.826 4.504 0 40 GJAB CN(Cc1ccccc1)Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 12927498 NBTDIAMAWPYNCZ-UHFFFAOYSA-N 395.915 4.937 0 40 GJAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)nc2c1CCCC2 14186334 GBRZOOPTHOXMIK-UHFFFAOYSA-N 382.316 4.701 0 40 GJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(C)c3OC)cc2s1 17078317 OUEUVEOCCOEBRM-UHFFFAOYSA-N 383.473 4.604 0 40 GJAB Cc1nccn1Cc1cccc(C(=O)N(Cc2ccncc2)C2CCCCC2)c1 19288201 QBCPEVWTKNZRRQ-UHFFFAOYSA-N 388.515 4.610 0 40 GJAB NC[C@H](c1ccc(/C=C\c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 19361106 JUZLLQQOVNWRMW-XCMWCYMESA-N 383.539 4.679 0 40 GJAB Cc1cc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C)c2cnn(C(C)C)c2n1 19569482 NMYPTXBPQQFKIT-OAHLLOKOSA-N 387.487 4.561 0 40 GJAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)c1 19927512 KMDUCGWETXPEFQ-UHFFFAOYSA-N 392.406 4.530 0 40 GJAB CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(O)cnc32)CC1 21981240 KCVVQHZYLIQAEG-UHFFFAOYSA-N 398.890 4.593 0 40 GJAB in-vitro CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1c(F)cccc1Cl 22510894 GQTMXSHIWJIXKH-GOSISDBHSA-N 395.927 4.995 0 40 GJAB C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(-n2ccnc2)cc1 23564094 SNVOZJJYMDTIAJ-KRWDZBQOSA-N 395.462 4.987 0 40 GJAB CSc1ccc(Cl)c(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1 24226410 AJNDBFVJBXZYCJ-UHFFFAOYSA-N 385.920 4.579 0 40 GJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(CN2CCCCC2)cc1 25712908 IZSPHQUPWUGWFS-QHCPKHFHSA-N 379.548 4.769 0 40 GJAB COc1cc(-c2nc3cnccn3c2Nc2ccc(C)c(Cl)c2)ccc1O 35616234 HOULLORTLNJOGO-UHFFFAOYSA-N 380.835 4.816 0 40 GJAB COc1cc([C@H]2CC(O)=Nc3nc(N)sc32)ccc1OCc1cccc(F)c1 36357130 ASDVWOZCCRGLNN-CQSZACIVSA-N 399.447 4.576 0 40 GJAB Cc1cc(C)nc(Sc2ccc(NC(=O)Cc3noc4ccccc34)cc2)n1 45766194 LJWWCKORLBTGSY-UHFFFAOYSA-N 390.468 4.567 0 40 GJAB Cc1ncc(CN(C)[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)s1 57997397 MSUGWWRQJKEAKC-OAHLLOKOSA-N 381.501 4.703 0 40 GJAB CCOc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OC 59503058 MSVHUKMZKJEXBE-AQTBWJFISA-N 379.456 4.736 0 40 GJAB COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72348638 IMNDPWOHADZHNP-OAQYLSRUSA-N 386.495 4.701 0 40 GJAB Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc2c(c1)nc(C)n2C 95393317 NJZAZBGYPSTHPM-UHFFFAOYSA-N 398.466 4.695 0 40 GJAB COCc1nc(C(=O)OCCNc2c(C(C)C)cccc2C(C)C)cs1 95450769 PXWCQIPMBRQXLQ-UHFFFAOYSA-N 376.522 4.805 0 40 GJAB CN1C(=O)CCc2cc(NC(=O)N3CCCC[C@H]3CCc3ccccc3)ccc21 95467115 UWIGEVRBHKFTTI-NRFANRHFSA-N 391.515 4.615 0 40 GJAB COc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1Cl 219457668 RTBQLAMBYNYUQG-UHFFFAOYSA-N 394.858 4.881 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(CN2CCCCC2)c1 224683416 PBCXRZODIICOHD-HSZRJFAPSA-N 394.559 4.763 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)ccc21 225123019 HQKGANNYVLDTEP-OAHLLOKOSA-N 398.528 4.921 0 40 GJAB CCOc1cccc(NC(=S)NCCCSCc2ccc(F)cc2)c1 225615777 CESXVNAQXOXUNE-UHFFFAOYSA-N 378.538 4.834 0 40 GJAB COc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccc(F)cc1 408577252 SBPNXLWFMLTTNL-UHFFFAOYSA-N 381.472 4.879 0 40 GJAB Cc1c(F)cccc1S(=O)(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 1185078066 LEMYELKNJVFLJH-NRFANRHFSA-N 387.451 4.683 0 40 GJAB COc1ccc(CCNC(=N)[C@H](Cc2ccccc2)c2ccccc2)cc1OC 1244327 SKZDQQXWTZOKQN-JOCHJYFZSA-N 388.511 4.840 0 40 GJAB CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccccc4Cl)c(=O)c23)C1 1784982 NDVXZYVFPFLXCA-ZDUSSCGKSA-N 387.936 4.706 0 40 GJAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 1993613 OQULWRFBOVYGBS-UHFFFAOYSA-N 380.271 4.914 0 40 GJAB CSc1nc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2s1 2635978 ATVHUOIPNXHQRQ-UHFFFAOYSA-N 376.937 4.534 0 40 GJAB Cc1nc(SCC(=O)N2c3ccccc3C[C@H]2C)c2c3c(sc2n1)CCC3 3220327 PPIFFGFESOGYJO-GFCCVEGCSA-N 395.553 4.558 0 40 GJAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccc2c(c1)OCO2 3423383 ZWJPNTAVJIPSGI-SECBINFHSA-N 392.889 4.798 0 40 GJAB aggregator CCCCNc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1 3626556 DAXFGXQLSDXOQF-UHFFFAOYSA-N 385.475 4.739 0 40 GJAB Cc1oc2cc3oc(=O)c(CC(=O)NC4CC4)c(C)c3cc2c1-c1ccccc1 4089673 OBMJNNRMJLRBTI-UHFFFAOYSA-N 387.435 4.644 0 40 GJAB biogenic CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 4386021 AROFBNJSQBFJNH-AWEZNQCLSA-N 399.897 4.992 0 40 GJAB CCOc1ccc(NC(=O)c2cn3nc(C)c(-c4ccccc4)c3nc2C)cc1 4502345 KWYWBRRLWGPSIM-UHFFFAOYSA-N 386.455 4.664 0 40 GJAB O=C1CS[C@@H](c2cccc(Br)c2)N1c1nc2ccccc2s1 4700350 LBUNXIKKRGZGQP-HNNXBMFYSA-N 391.315 4.837 0 40 GJAB CSCCSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C 4835669 WALKKVXGWFLUIJ-UHFFFAOYSA-N 376.938 4.746 0 40 GJAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1 4854447 SRFRKKQLYQBEAW-IBGZPJMESA-N 389.352 4.682 0 40 GJAB CCOc1ccccc1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 4909618 AESPVYTZOURBKL-UHFFFAOYSA-N 399.922 4.964 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccc(Cl)cc1 5136200 GUCJXEKHMDDDRJ-UHFFFAOYSA-N 380.831 4.778 0 40 GJAB COc1ccc(CNC(=O)c2cccnc2Sc2ccc(C)c(C)c2)cc1 5934375 IVTWGNKMFHXRAL-UHFFFAOYSA-N 378.497 4.788 0 40 GJAB Cc1cc(C)c(NC(=O)CSCC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 6590110 OZUMKELAJDMUJF-UHFFFAOYSA-N 384.545 4.848 0 40 GJAB COc1cc(CNCC(C)C)cc(Br)c1OCc1ccccc1 6883535 BXJDBAWBVQDWMS-UHFFFAOYSA-N 378.310 4.782 0 40 GJAB COc1cc(C)ccc1OCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 7063573 QUFJWOQQZFGTTQ-SFHVURJKSA-N 375.468 4.927 0 40 GJAB COc1ccc2cc(CN(C)C(=O)CN3CCC[C@H]3c3cccs3)ccc2c1 7362863 DRGNNKORSZKICH-NRFANRHFSA-N 394.540 4.705 0 40 GJAB CC(C)n1ncc2c(C(=O)NCCc3cccc(Cl)c3)cc(C3CC3)nc21 8226301 UQCYTNGTBMYSPH-UHFFFAOYSA-N 382.895 4.516 0 40 GJAB CCOc1c(Br)cc(Br)cc1CNCc1ccccc1 8253321 NFUYFULPKVKBTE-UHFFFAOYSA-N 399.126 4.900 0 40 GJAB Cc1ccc(NC(=O)c2oc3c(c2C)[C@H](O)CC(C)(C)C3)c(Br)c1 9576569 ZEOHKQRODWLIEP-CQSZACIVSA-N 392.293 4.917 0 40 GJAB CCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 9850297 HCVPVHPBHCITBA-RDJZCZTQSA-N 398.956 4.607 0 40 GJAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)c1ccc2ccccc2c1 11195193 STTCYFDCZLKHQA-UHFFFAOYSA-N 394.427 4.916 0 40 GJAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 12157616 VJEWBXQKKFUZPD-PBHICJAKSA-N 398.359 4.539 0 40 GJAB CSCC[C@H](NC(=O)c1ccc2ccccc2c1)c1nc2ccccc2[nH]1 12540993 KSIRLRKGHZYZNU-FQEVSTJZSA-N 375.497 4.940 0 40 GJAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccccc1Br 12772300 KKDWKMLZOLPPMT-UHFFFAOYSA-N 390.668 4.600 0 40 GJAB Cc1noc(C)c1CCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12783553 WBIBRRRLTYUESE-VYFUWZELSA-N 386.495 4.638 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCCc3ccccc3)c2n1 13284416 VVWLFEVBILOOAP-UHFFFAOYSA-N 389.282 4.588 0 40 GJAB COc1ccccc1[C@@H]1CC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C1 14163853 BDZUVBYGVYRNKN-KRWDZBQOSA-N 383.451 4.626 0 40 GJAB COc1ccc(CN(C)C(=O)Cc2ccc(-c3ccccc3)cc2)c(OC)c1 14237931 RSNLMDBBYAXBJW-UHFFFAOYSA-N 375.468 4.572 0 40 GJAB Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)n1 17013556 FRLMYLIVVHCZAW-UHFFFAOYSA-N 381.867 4.500 0 40 GJAB Cc1cccc(C2(C(=O)N[C@@H](C)c3nc4ccccc4s3)CCOCC2)c1 19234525 RKWCJGKMEPSBDN-INIZCTEOSA-N 380.513 4.530 0 40 GJAB Cc1ncsc1-c1nc(NCc2cccnc2)ncc1-c1ccc(F)cc1 19562410 CWYMZIMMRPDTOJ-UHFFFAOYSA-N 377.448 4.722 0 40 GJAB O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cccc2ccccc12 20534006 WUXMSDZMFJCGRI-UHFFFAOYSA-N 376.387 4.789 0 40 GJAB COc1ccc(-c2noc(-c3cccc(NC(=O)c4cccc(C)c4)c3)n2)cc1 20900027 VRFQEDXTXQSIER-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCCC2=O)cc1 22522159 OLDYMLVQNZKSOV-UHFFFAOYSA-N 386.451 4.854 0 40 GJAB CCCCc1nnc(NC(=O)COC(c2ccccc2)c2ccccc2)s1 23362796 LYNBXRMWONXOFF-UHFFFAOYSA-N 381.501 4.625 0 40 GJAB O=C(CCOc1ccccc1-c1ccccc1)Nc1ccc2c(c1)OCCO2 24839659 HJGFGHHAMPXRDM-UHFFFAOYSA-N 375.424 4.532 0 40 GJAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCO[C@H](c2ccccc2)C1 27899722 OEMPSVKJGSVJHA-QHCPKHFHSA-N 384.435 4.709 0 40 GJAB Cc1cc(NC(=O)CCc2c(C)nn(-c3ccccc3)c2C)n(C2CCCC2)n1 28246727 UJOLFTHIIBZVQW-UHFFFAOYSA-N 391.519 4.680 0 40 GJAB O=c1c2ccccc2c(Cc2ccccc2)nn1Cc1c(F)cccc1Cl 32647213 TUVBVCDKBXIQOA-UHFFFAOYSA-N 378.834 4.828 0 40 GJAB COc1ccc(-c2nc(CC(=O)N3CCSc4ccccc43)cs2)cc1 32716624 KXXCLPAJQDRHKL-UHFFFAOYSA-N 382.510 4.500 0 40 GJAB Cc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1C(F)(F)F 32859875 VXIULDRNUBLIEC-OAHLLOKOSA-N 379.378 4.824 0 40 GJAB CCCCNc1nc(S[C@@H](CC)C(=O)NCc2ccco2)nc2ccccc12 34138629 VDVURGLLPGMYGK-SFHVURJKSA-N 398.532 4.622 0 40 GJAB COc1cc(CN[C@@H](C)C(C)(C)C)ccc1OCC(=O)Nc1cccc(C)c1 36612738 OAPHGFYDDKEAOS-KRWDZBQOSA-N 384.520 4.545 0 40 GJAB O=C(c1cccs1)N1N=C(c2ccsc2)C[C@@H]1c1ccc2nccnc2c1 39563658 QKPCBIYDIBRQCZ-GOSISDBHSA-N 390.493 4.744 0 40 GJAB C[C@H](OCCCNC(=O)N(C)Cc1nc2ccccc2s1)c1ccccc1 40069021 OTYPJNJHCDZPRK-INIZCTEOSA-N 383.517 4.606 0 40 GJAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 40073886 ZWNLLGMYOVFVFC-MAUKXSAKSA-N 377.406 4.922 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 44947140 KKYATWFVLDVMQQ-XLIONFOSSA-N 382.504 4.628 0 40 GJAB O=C(NCc1ccc(F)cc1)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 47912392 GMTAHCDUCTUODR-UHFFFAOYSA-N 387.411 4.600 0 40 GJAB COC(=O)c1sc2nc(C)nc(N[C@H]3CCC[C@@H](C(F)(F)F)C3)c2c1C 48277227 WBDFCIRTOPFTQG-MNOVXSKESA-N 387.427 4.628 0 40 GJAB O=C(NC[C@@H](O)c1cccc(Cl)c1)c1ccc(-c2nc3ccccc3s2)o1 48354644 PYKNKYVTWJPMMU-OAHLLOKOSA-N 398.871 4.673 0 40 GJAB CCOc1ccc(N[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1CO 56205891 UUTWNFHCENKOFO-JOCHJYFZSA-N 394.446 4.509 0 40 GJAB Cc1ccc(Nc2nc(S(=O)(=O)c3ccc(C)cc3)c(Cl)s2)cc1 57291941 MOBQRNLTUPAGOI-UHFFFAOYSA-N 378.906 4.990 0 40 GJAB O=C(Nc1ccc(Br)cc1F)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412115 SUHBSOVXZQOCHD-UHFFFAOYSA-N 394.631 4.884 0 40 GJAB C[C@@H](OC[C@H](O)CSc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 58012312 YOSMAHDWDUYHQQ-RISCZKNCSA-N 396.921 4.682 0 40 GJAB O=C(c1cc2c(cc1O)CCCC2)N1CCC(c2nc3ccccc3s2)CC1 58155302 WSNPMRIQSYWOQL-UHFFFAOYSA-N 392.524 4.901 0 40 GJAB COc1ccc(CNC(=O)[C@H](c2ccccc2)c2cc(Cl)ccc2O)cc1 59483647 BPEUOIGBMBZCAE-OAQYLSRUSA-N 381.859 4.503 0 40 GJAB COc1ccc(Cn2c(SCc3ccccc3)nc3ccsc3c2=O)cc1 71768746 FIJBHHDRAPBYJY-UHFFFAOYSA-N 394.521 4.807 0 40 GJAB CCc1ncc(CN2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)cn1 72350245 XLKAIZQKKYPVMT-IBGZPJMESA-N 376.479 4.620 0 40 GJAB Cc1cccc2c(C[C@H](C)NC(=O)CCc3nc4cc(Cl)ccc4[nH]3)c[nH]c12 72390340 IHUIWQOYQUFBMP-AWEZNQCLSA-N 394.906 4.686 0 40 GJAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 79071233 BGJUADUXZWOZFG-UHFFFAOYSA-N 398.466 4.960 0 40 GJAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cccc(Oc2ccccc2)c1 95478045 LPFRUYWPNLPEGQ-LJQANCHMSA-N 395.484 4.974 0 40 GJAB CCCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc2c(c1)OCO2 100676466 ZDKJWYHEAMMWST-UHFFFAOYSA-N 379.412 4.626 0 40 GJAB COc1cccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1OC 210198012 CGHULKKRNPMKHY-OQLLNIDSSA-N 375.833 4.598 0 40 GJAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccccc3SC(C)C)n2)cc1 219659510 VCWYRQZSTJLEPX-UHFFFAOYSA-N 381.501 4.818 0 40 GJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(C)cc1 222686549 PNBHYANPYHZLGU-YVUGPFRESA-N 388.467 4.626 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)c1C 223523046 GXMYHUCOCJLUCV-UHFFFAOYSA-N 383.469 4.905 0 40 GJAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1C(C)(C)C 223712832 WVYHPJMOTVSHOT-HNNXBMFYSA-N 375.896 4.600 0 40 GJAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1C 225642783 ULSKLJAHCUUYNF-UHFFFAOYSA-N 386.495 4.837 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccccc1C 225758049 CPZJWROUPBPCNR-KRWDZBQOSA-N 376.909 4.873 0 40 GJAB Cc1cc(NC(=S)N[C@@H](C)COc2ccccc2)ccc1Br 225782387 PDPZVCNMISRULQ-ZDUSSCGKSA-N 379.323 4.511 0 40 GJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225845786 RTGNTCKGQGJRHE-JOCHJYFZSA-N 393.524 4.822 0 40 GJAB Cc1cc(C)c(OCC(=O)Nc2cc(Cl)c(C)cc2N)c(Br)c1 226359480 SZAZFGILGCFTDO-UHFFFAOYSA-N 397.700 4.627 0 40 GJAB O=C(Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408698548 NZDROBFFXQHXEV-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)c1 409181182 YQGMFRPGKLHBKY-UHFFFAOYSA-N 397.814 4.516 0 40 GJAB CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 548698818 PBBGYOWQSLAVQE-UHFFFAOYSA-N 391.345 4.823 0 40 GJAB Cc1ccc(C(=O)Nc2nnc(COc3ccc(C(C)(C)C)cc3)s2)cc1 715047 FMQTUWXDPSDMIV-UHFFFAOYSA-N 381.501 4.975 0 40 GJAB CCOc1ccc(NC(=O)CSc2nc(C)nc3c2oc2ccccc23)cc1 2424501 YBDSQNJZTQVNPS-UHFFFAOYSA-N 393.468 4.814 0 40 GJAB Cc1nc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc(C)c1C 2622495 NULVNMKCRJNHLM-UHFFFAOYSA-N 389.830 4.805 0 40 GJAB CCOC(=O)C(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)OCC 3066872 NHCQILGFEHPEGV-UHFFFAOYSA-N 383.227 4.763 0 40 GJAB CCOP(=O)(OCC)[C@@H](NC(=S)Nc1ccccc1)c1ccccc1 3195088 WRYROEXJSLVJRF-QGZVFWFLSA-N 378.434 4.938 0 40 GJAB CC(C)c1ccc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1 3235531 FPBCQKPMDZAUST-UHFFFAOYSA-N 383.463 4.943 0 40 GJAB O=C(COc1ccc(Nc2ccccc2)cc1)OCC(=O)c1cccc(Cl)c1 3260813 XUTYHSBTZZGYIN-UHFFFAOYSA-N 395.842 4.889 0 40 GJAB Cc1ccc(N2C(=O)N(CC(=O)c3ccc(-c4ccccc4)cc3)C(=O)[C@H]2C)cc1 3353199 JKRQYYIRWSCQQF-GOSISDBHSA-N 398.462 4.702 0 40 GJAB COc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)cc(OC)c1OC 3433224 ASGNJZKOKXMXHX-UHFFFAOYSA-N 391.467 4.873 0 40 GJAB COc1ccc([C@@]23C[C@H](C)Sc4ccccc4N2C(=O)C3(Cl)Cl)cc1 4658983 TWXWCGFGTNPMSD-KPZWWZAWSA-N 394.323 4.996 0 40 GJAB CCc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3ncnn32)cc1 4699217 AJBYZIWEUGPLIO-ROUUACIJSA-N 383.293 4.749 0 40 GJAB COc1ccc2cc(-c3nc4c(C)cccn4c3NC3CCCC3)c(=O)[nH]c2c1 4847647 GVCKJWLPYDEYHM-UHFFFAOYSA-N 388.471 4.514 0 40 GJAB CCOc1ccc(-c2nc(S)c3c(n2)Oc2c(cccc2OCC)C3)cc1 6000025 DNNBZADZZBVIMO-UHFFFAOYSA-N 380.469 4.926 0 40 GJAB COc1ccccc1-n1c(SCc2ccccc2C)nc2ccccc2c1=O 6035261 FJIRGWRHPLCENA-UHFFFAOYSA-N 388.492 4.995 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1O 6169095 RXSSFJPCPGIRDG-UHFFFAOYSA-N 396.516 4.525 0 40 GJAB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(Cl)cc1 6348251 JXWNITGJYMCYLG-WQRHYEAKSA-N 399.899 4.939 0 40 GJAB Cc1ccccc1NC(=S)Nc1cccc(-c2nnc3n2CCCCC3)c1 6583620 KHTFTYOWTCGWKV-UHFFFAOYSA-N 377.517 4.789 0 40 GJAB Cc1ccc(Nc2nc(-c3ccc(NC(=O)CCC(=O)O)cc3)cs2)cc1 6613725 BQYRWLZLOPBFTI-UHFFFAOYSA-N 381.457 4.665 0 40 GJAB Cc1cc(C)cc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(F)cc2F)c1 7178029 CYCDNNYJXAEBGZ-CQSZACIVSA-N 387.455 4.887 0 40 GJAB Cc1c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)oc2c(F)cccc12 7987306 UNGRANHAKPDNDS-UHFFFAOYSA-N 380.419 4.759 0 40 GJAB O=C(c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O)N1CCCCCC1 8471691 UGPMWLQHBLUHSE-UHFFFAOYSA-N 398.462 4.657 0 40 GJAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(C)c(C)c2)c1 8476953 XMWXUGUASFIHLR-UHFFFAOYSA-N 388.515 4.922 0 40 GJAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2c1C 8936198 CJOJRRKOUDONDG-HXUWFJFHSA-N 376.456 4.533 0 40 GJAB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 8939108 REVSNJZSHFDZAM-OAQYLSRUSA-N 398.384 4.826 0 40 GJAB Cn1cc(Cl)c(C(=O)N2CCCCC[C@@H]2c2cc(-c3cccs3)on2)n1 12185284 MOFDMJDHDFTLNC-CQSZACIVSA-N 390.896 4.548 0 40 GJAB O=C(NC[C@H](O)Cn1c2ccccc2c2ccccc21)Nc1ccc(Cl)cc1 12249867 INVOVSQEFYXUPI-KRWDZBQOSA-N 393.874 4.631 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2ccccc2SCc2ccco2)c(F)c1 12862123 PKOZAHKPKMFQLW-UHFFFAOYSA-N 399.443 4.815 0 40 GJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N[C@@H](c1ccc(Cl)cc1)C1CC1 12873084 WDHIJOCPIVGPFO-HXUWFJFHSA-N 399.853 4.729 0 40 GJAB COc1ccc2c(CC(=O)Nc3c(F)cc(F)cc3Br)coc2c1 12904644 MCRCJNXWYFDTGN-UHFFFAOYSA-N 396.187 4.663 0 40 GJAB CC1(C)Cc2sc3c(=O)n(Cc4ccc(Cl)cc4Cl)cnc3c2CO1 13719179 BGGUXWJVFCHTCE-UHFFFAOYSA-N 395.311 4.664 0 40 GJAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCC2)o1 15860470 WXVKNZJWWYXSKR-KRWDZBQOSA-N 386.879 4.863 0 40 GJAB O=C(O)c1ccc(CNCc2cc(Cl)ccc2OCc2ccccc2)cc1 16480558 QNFRDTVGARFSGR-UHFFFAOYSA-N 381.859 4.907 0 40 GJAB Cc1ccc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)cc1F 21538834 IZZKHVJXWBRWML-UHFFFAOYSA-N 396.491 4.508 0 40 GJAB Cc1ccc(CN(C(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c2ccccn2)cc1 27992181 BOLSQVXNPGZJLR-UHFFFAOYSA-N 398.462 4.960 0 40 GJAB CC(C)c1ccc(OCC(=O)NCCc2csc(-c3ccccc3)n2)cc1 27992249 HPWACRKVBNXFMJ-UHFFFAOYSA-N 380.513 4.671 0 40 GJAB COc1ccc([C@H]2SCCN2C(=O)Nc2cccc(Cl)c2)cc1OC 28232368 HTOCKUFOXXUXPS-QGZVFWFLSA-N 378.881 4.637 0 40 GJAB C[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1ccc(F)cc1F 28368296 AGEUCEIOXQEHFX-ZDUSSCGKSA-N 388.414 4.836 0 40 GJAB O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc(Br)cc1 31456262 YJPBEBAAXSVYJU-UHFFFAOYSA-N 383.245 4.675 0 40 GJAB O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1ccc(Br)cc1 32594066 XFFLKRLBJIVGSW-UHFFFAOYSA-N 398.260 4.630 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1csc(-c3cccs3)n1)O[C@@H](C)C2 32756304 FHGOQBUKYBSSSR-NSHDSACASA-N 386.498 4.846 0 40 GJAB CN(C)c1cccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 32809143 OYFZBPZOPRMZLU-UHFFFAOYSA-N 393.874 4.911 0 40 GJAB CC[C@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc(OC)cc1 44936468 BDUIVLAQFGYOCA-QHCPKHFHSA-N 380.532 4.952 0 40 GJAB CC(C)Sc1ccc(-c2nnc(NC(=O)c3cccc(N(C)C)c3)o2)cc1 56906054 ACTOYZVKERIBHR-UHFFFAOYSA-N 382.489 4.555 0 40 GJAB Cc1cc(C)n2cc(CSc3nnc(-c4ccc(C(C)(C)C)cc4)o3)nc2n1 58357872 VXRGJRXTCSKPSH-UHFFFAOYSA-N 393.516 4.986 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc21 59048953 CFTAMATUTDLMMY-UHFFFAOYSA-N 379.407 4.806 0 40 GJAB O=C1N=C(Nc2cc(F)c(F)c(F)c2)/C(=C/c2cccc3nccnc23)S1 72401921 VGQOEHPMTFVZOB-NSIKDUERSA-N 386.358 4.765 0 40 GJAB Cc1ccc(NCc2nnc(-c3ccc(F)cc3)o2)c(OCC(F)(F)F)c1 84146282 RAALZKWOJLWZCO-UHFFFAOYSA-N 381.329 4.737 0 40 GJAB COc1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1Cl 169890535 YRENXHMXKQBQLG-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB CSc1ncccc1C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 206999737 SMJNSJUVQTYOAZ-INIZCTEOSA-N 378.950 4.777 0 40 GJAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccccc1OC 224240816 IZQSJALYFARAHQ-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1CN1CCCC1 224782667 KVHWODUTLCMKIY-LJQANCHMSA-N 388.511 4.519 0 40 GJAB S=C(NCc1cccnc1)Nc1cccnc1Sc1ccc(Cl)cc1 225191334 IRCVSFHSVRSQGL-UHFFFAOYSA-N 386.933 4.768 0 40 GJAB Cc1ncoc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257229699 FZENYVIHJGTVAN-QGZVFWFLSA-N 385.851 4.583 0 40 GJAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257286745 PMVWWPANJVHNRZ-KRWDZBQOSA-N 385.464 4.537 0 40 GJAB O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 390827515 YZOJWMAUCGZPDS-HXUWFJFHSA-N 392.890 4.563 0 40 GJAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)c1 408640179 HNPGAHSSZMBMRI-SFHVURJKSA-N 386.451 4.779 0 40 GJAB O=C(c1ccc(-c2cccc3cccnc23)cc1)N1CC[C@@H](Oc2ccncc2)C1 561492754 PNZBRFDBNNKYHW-JOCHJYFZSA-N 395.462 4.590 0 40 GJAB Cc1nc2cccc(-c3noc(-c4cc(-c5ccccc5Cl)[nH]n4)n3)c2[nH]1 577371366 NQINSNUPJWSKKQ-UHFFFAOYSA-N 376.807 4.632 0 40 GJAB O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCCC1 917908 IWKIRQIBFYCUSA-UHFFFAOYSA-N 399.438 4.687 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nnc2c(C)cc3cc(C)cc(C)c3n12 929756 IWYNJYLNLOJULX-SFHVURJKSA-N 396.560 4.691 0 40 GJAB Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCCC[C@@H]3C)c2c1C 1340390 IHUAJXXOAHQQBC-LBPRGKRZSA-N 377.579 4.925 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1c1ccccn1 2252721 JWOMXMRGGBKCOY-IBGZPJMESA-N 388.810 4.591 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1c[nH]c2ccccc12 2543665 SABPMUVJAFGZKV-UHFFFAOYSA-N 397.837 4.896 0 40 GJAB CN(Cc1c(F)cccc1Cl)C[C@H](O)COc1c(Cl)cccc1Cl 2628416 ORKBEDJZPIFANR-NSHDSACASA-N 392.685 4.658 0 40 GJAB Cc1cc(C(=O)COC(=O)c2cccc(O)c2)c(C)n1Cc1ccccc1Cl 3402698 LKODQTODDYRBIR-UHFFFAOYSA-N 397.858 4.552 0 40 GJAB O[C@@](Cn1cnc(Cl)c1Cl)(c1ccc(F)cc1)c1ccc(Cl)cc1 4105203 XTHWQCQINJXNCB-QGZVFWFLSA-N 385.653 4.919 0 40 GJAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1cccc(C(F)(F)F)c1 4223302 FNSGPEUOTCGHLM-UHFFFAOYSA-N 389.402 4.890 0 40 GJAB Cc1ccccc1OC(=O)NCCCCCCNC(=O)Oc1ccccc1C 4358297 BAYXEUGGWRMYEF-UHFFFAOYSA-N 384.476 4.741 0 40 GJAB Cc1ccc(C(=O)N(CCCN(C)C)c2nc3c(C)cccc3s2)cc1C 4359699 PYHMXXJMMQVWJI-UHFFFAOYSA-N 381.545 4.820 0 40 GJAB COc1cc(NC(=O)c2cccc(C)c2OC)ccc1NC(=O)c1cccs1 4487804 INGMWPUAXDGACG-UHFFFAOYSA-N 396.468 4.578 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)cc1OCC 4761111 JIKWBFFAERGMLX-UHFFFAOYSA-N 385.851 4.575 0 40 GJAB CCc1c(C)sc(NC(=O)CC(c2ccccc2)c2ccccc2)c1C(N)=O 5126467 XOUIPJZCUMGPLG-UHFFFAOYSA-N 392.524 4.879 0 40 GJAB Cn1c(NC(=O)c2ccc(F)cc2)c(-c2ccccc2F)c(=O)c2ccccc21 5348933 YAGRMNYXLBURNW-UHFFFAOYSA-N 390.389 4.736 0 40 GJAB CC(=O)c1cnn(-c2cc(Oc3ccc(-c4ccccc4)cc3)nc(C)n2)c1C 5428210 SVXBUKAWLXRFPS-UHFFFAOYSA-N 384.439 4.941 0 40 GJAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1C 6323724 YUHDBKRVGUGPGS-LPYMAVHISA-N 398.304 4.692 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(Br)o1 6612438 MEHVONZGZDJCBX-RYUDHWBXSA-N 394.265 4.740 0 40 GJAB Cc1occc1-c1nnc(SCc2nnsc2Cl)n1-c1ccccc1 8193090 QVUCGCXGPAODIE-UHFFFAOYSA-N 389.893 4.633 0 40 GJAB O=C(N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1)c1ccco1 9607379 NQMMBKZAPSIBRE-KRWDZBQOSA-N 379.803 4.502 0 40 GJAB O=C(Nc1cccc(Cl)c1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 12416039 ZTLGYKKGOBMPET-UHFFFAOYSA-N 390.826 4.602 0 40 GJAB COc1ccc(C(=O)[C@@H](CC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 12531166 NUXOVBJNFIOXIT-LJQANCHMSA-N 384.435 4.811 0 40 GJAB CCCCCn1c([C@@H](C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 12538728 XJRZJPZQFVGCKE-MRXNPFEDSA-N 395.503 4.735 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CCn1c(C(F)(F)F)nc2ccccc21 12544441 BRVYXFLOSZXSOR-UHFFFAOYSA-N 397.784 4.746 0 40 GJAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)[C@H]1COc2ccccc2C1 12938254 BRTVPWGUDXTPGA-CQSZACIVSA-N 392.436 4.853 0 40 GJAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ncccn1 13843982 IAGHLEHDVXRMHV-UHFFFAOYSA-N 388.452 4.529 0 40 GJAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1 14016944 WKIAQKNJXFYVSA-UWVGGRQHSA-N 387.336 4.593 0 40 GJAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2cc(C)ccc2C)cs1)c1cccs1 14047934 GFVCTSQMJHYFRW-MRXNPFEDSA-N 399.541 4.694 0 40 GJAB Cc1ccc2cccc(OCC(=O)Nc3ccc(Br)cc3C)c2n1 14358791 GGLRKVSCVPYGGI-UHFFFAOYSA-N 385.261 4.632 0 40 GJAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1O 15016189 RLWIRDNDTRAHJH-IIBYNOLFSA-N 378.453 4.705 0 40 GJAB O=C(Nc1ccccc1I)c1cc2cc(Cl)ccc2o1 19179870 RELGBIMKSIZOFG-UHFFFAOYSA-N 397.599 4.943 0 40 GJAB CCOc1ccc(CN[C@H](Cc2ccsc2)c2ccc(C)cn2)cc1OC 19533949 GOZYOZRTRJVEKC-HXUWFJFHSA-N 382.529 4.932 0 40 GJAB COc1ccc(CN[C@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1OC 19559867 DUDKEFZRABNYDH-QGZVFWFLSA-N 388.558 4.912 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 22530262 RAYBJMHOOFZCFA-OXJNMPFZSA-N 393.483 4.892 0 40 GJAB CCn1c(SCc2cccs2)nnc(Nc2cccc(Cl)c2C)c1=O 28538033 ZHTXDYIVIFEVPR-UHFFFAOYSA-N 392.937 4.717 0 40 GJAB Cc1nc(C)c2c(C)c(C(=O)Nc3ccccc3N3CCCCC3)sc2n1 29573002 CVHPRUDZRSMNDF-UHFFFAOYSA-N 380.517 4.859 0 40 GJAB COc1cc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)cc(OC)c1OC 32850748 BPOSHNMOQXOXPC-UHFFFAOYSA-N 386.492 4.888 0 40 GJAB O=C(NCc1cccc(NC(=O)C2CC2)c1)Nc1ccccc1Cc1ccccc1 40024068 HUXBDKAJCRBODO-UHFFFAOYSA-N 399.494 4.948 0 40 GJAB Cc1cc(Br)ccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 40156671 JMCWANSCFQDZSO-UHFFFAOYSA-N 390.668 4.849 0 40 GJAB Cc1coc2cc3oc(=O)c(CC(=O)NCCC4=CCCCC4)c(C)c3cc12 40309406 JAWMZBDMGLDWFB-UHFFFAOYSA-N 379.456 4.705 0 40 GJAB biogenic Cc1ccccc1/C=C/c1ccnc2nc(N3c4ccccc4C[C@@H]3C)[nH]c(=O)c12 40388425 LXQFSYKFNQXPEB-FLVLSHQESA-N 394.478 4.880 0 40 GJAB CC(C)OC(=O)C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccccc1Cl 48253925 HSTOPMCAZPSWIS-INIZCTEOSA-N 398.261 4.945 0 40 GJAB Cc1ccccc1NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64787986 YRTYGGBFVGOWKK-UHFFFAOYSA-N 395.871 4.637 0 40 GJAB Cc1oc(-c2cccs2)nc1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 65541423 AASCNKIAPSVFIF-SFHVURJKSA-N 398.484 4.610 0 40 GJAB C=COCCCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccs2)n1 72340388 CRAFCHLZULHGEW-UHFFFAOYSA-N 381.457 4.563 0 40 GJAB Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(Cc3cccc4ncccc34)C2)n1 72353744 YEVMYQHUFABTHL-HXUWFJFHSA-N 395.510 4.775 0 40 GJAB Cc1cc(CN(C)[C@H](CCO)c2ccccc2)nc(-c2ccc(Cl)cc2)n1 89600664 NLUHEAHCFMLPLR-OAQYLSRUSA-N 381.907 4.661 0 40 GJAB Cc1cccc(-c2noc(CN(C)C(=O)CCCOc3ccc(Cl)cc3)n2)c1 95482285 JGDAGDIAPHCHOP-UHFFFAOYSA-N 399.878 4.516 0 40 GJAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3cc(C)ccc3F)n2)cc1 95975591 UEYGPBZTSGOIRK-ZDUSSCGKSA-N 397.475 4.707 0 40 GJAB COc1cccc(NC(=O)c2ccc3onc(-c4coc(C5CC5)n4)c3c2)c1 96154298 UMEUXCSANYREBS-UHFFFAOYSA-N 375.384 4.621 0 40 GJAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1cccc(Br)c1 96759128 FFGSACDSPUPQOQ-XYOKQWHBSA-N 387.664 4.757 0 40 GJAB O=C(O)CCc1ccc(OCc2nc(-c3cccc(Cl)c3)no2)c(Cl)c1 97166019 JTQYRAZUIHNOPY-UHFFFAOYSA-N 393.226 4.640 0 40 GJAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)[C@H]1C[C@H]2C=C[C@H]1C2 102294028 NSXGFNLQIVMUMK-OBJOEFQTSA-N 377.922 4.635 0 40 GJAB CC[C@@H](C)N/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 105898183 HKUPKVSANUCVKJ-OPCAMPFDSA-N 388.389 4.621 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(-c2cc3ccccc3o2)cc1 169678597 ZPRFWGVOJIMMSJ-GRMCPQHLSA-N 381.431 4.657 0 40 GJAB CSc1ccccc1C(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207015186 OYNYHKXHKOJLQD-AWEZNQCLSA-N 399.541 4.615 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)n1cc(C(=O)O)c2ccccc21 216892382 AJYIIKLEAQVHSE-SNVBAGLBSA-N 378.211 4.754 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219348586 HVZUMWSJOJVXEQ-FDDCHVKYSA-N 377.484 4.889 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222687883 PSQULMXKGVYZPA-UHFFFAOYSA-N 390.936 4.991 0 40 GJAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1cc(C)cc(C)c1 224190721 OPKGRWAMABCPJS-UHFFFAOYSA-N 389.495 4.864 0 40 GJAB S=C(NCCSCc1ccco1)Nc1ccc(OC2CCCC2)cc1 225348928 OJGBITCBERNQPG-UHFFFAOYSA-N 376.547 4.821 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c(C)c1 225698155 OWHVAYNVNPZVHQ-OSVNEOKWSA-N 388.467 4.545 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](Cc3ccccn3)C2)cc1 257287679 PRAYSIDUUSIWSQ-HXUWFJFHSA-N 386.495 4.902 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 408543801 QTPCQPZPUBWUHM-AEFFLSMTSA-N 391.521 4.657 0 40 GJAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)CC(C)C)cc3O)nc2c1 408626307 GJJCWOCCWACWAC-UHFFFAOYSA-N 397.500 4.676 0 40 GJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 408993470 DEYGOIMKPVRNFE-YFXJRYMSSA-N 385.419 4.585 0 40 GJAB CCc1csc(CC2CCN(Cc3ccc4oc(C(=O)O)cc4c3)CC2)n1 656190899 IBDZVRONKIIYIA-UHFFFAOYSA-N 384.501 4.605 0 40 GJAB Cc1nc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)c(C)s1 1615153430 CWERRBIFMYRFRD-OAQYLSRUSA-N 387.524 4.563 0 40 GJAB CCCNc1ccc(CNC(=O)N2CC[C@]3(c4ccccc4)[C@H](C2)C3(F)F)cc1 1616044367 ZOZNVAJIDPYUPC-UNMCSNQZSA-N 399.485 4.627 0 40 GJAB CCN1Cc2ccccc2NC2(CCN(Cc3ccccc3Cl)CC2)CC1=O 2037985556 NQJAPWZHXRRRJP-UHFFFAOYSA-N 397.950 4.539 0 40 GJAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)ccc2C)c1 664299 JJKFFQQHMWBIIY-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB COc1ccc(-n2ncc3c(Nc4ccc(Cl)c(Cl)c4)ncnc32)cc1 756735 DKVDPNNAZHJUCH-UHFFFAOYSA-N 386.242 4.875 0 40 GJAB COc1ccc2cc([C@@H]3NC(=O)c4c(sc5c4CCCC5)N3)c(Cl)nc2c1 976427 VPYBYNLARYILPZ-GOSISDBHSA-N 399.903 4.691 0 40 GJAB COc1ccc(C(=O)C2CCN(C(=S)Nc3cc(C)ccc3C)CC2)cc1 1336848 OHOUMYGZAQAZLO-UHFFFAOYSA-N 382.529 4.604 0 40 GJAB CN(C(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1 2136276 ASFFEKKTRRXUHB-UHFFFAOYSA-N 397.327 4.690 0 40 GJAB Cc1oc2cc(OCC(=O)O)ccc2c(=O)c1Oc1ccc(Cl)cc1Cl 2316903 NVBCPZOUVZJXOY-UHFFFAOYSA-N 395.194 4.664 0 40 GJAB CC(C)c1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)n3nnnc3N2)cc1 2500118 VLCVTYCRSXJBCT-ZWKOTPCHSA-N 398.308 4.705 0 40 GJAB CCCn1c(C)cc(-c2csc(NC(=O)COc3ccccc3OC)n2)c1C 2653809 XHKURACMEHUITE-UHFFFAOYSA-N 399.516 4.665 0 40 GJAB O=C(O)c1ccc(CSc2nnc(SCc3ccc(F)cc3)s2)cc1 3327815 SSJZFNVATPZCRB-UHFFFAOYSA-N 392.502 4.960 0 40 GJAB Cc1sc2nc(S[C@@H]3CCCCC3=O)n(-c3ccccc3)c(=O)c2c1C 3339204 JDXLZHLAKDMUII-MRXNPFEDSA-N 384.526 4.668 0 40 GJAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)NCc1ccccc1 3448383 DQVDSKTYZHSOJA-UHFFFAOYSA-N 394.279 4.681 0 40 GJAB Cc1cccc(-c2nc(CCNC(=O)COc3ccc(Cl)cc3)cs2)c1 4570840 ZALMSGANHVDQIG-UHFFFAOYSA-N 386.904 4.510 0 40 GJAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccoc2C)n1CC 4860506 ORYPXEAOLBHPRR-UHFFFAOYSA-N 398.532 4.722 0 40 GJAB CCn1c(-c2ccccc2)c(C(=O)COc2ccccc2C(N)=O)c2ccccc21 4895447 GIFJGQZNMSDHQN-UHFFFAOYSA-N 398.462 4.689 0 40 GJAB O=C(Nc1cccc(Cl)c1)NC1(C(=O)NCC2CCCCC2)CCCCC1 4965422 AIDWGXPGKIBTFL-UHFFFAOYSA-N 391.943 4.861 0 40 GJAB C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1 5200013 NWOWVUGGDWBXLI-OAHLLOKOSA-N 392.421 4.674 0 40 GJAB CC(C)CCNC(=O)C(=Cc1ccc(Cl)c(Cl)c1)C(=O)NCCC(C)C 5860771 APGMJXOOBMSYHE-UHFFFAOYSA-N 399.362 4.701 0 40 GJAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 6356051 STEUGUDCLGDMGA-NZQKXSOJSA-N 381.560 4.895 0 40 GJAB Cc1cccc(OCCCCn2c(CCNC(=O)C(C)C)nc3ccccc32)c1 7545414 CHRRPAHMQBESGZ-UHFFFAOYSA-N 393.531 4.519 0 40 GJAB Cc1cc2oc(C(=O)NC[C@H](c3ccco3)N3CCCC3)c(C)c2cc1Cl 8867672 LXHOOXSCADCHPA-QGZVFWFLSA-N 386.879 4.863 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 9220566 UHSRAICHCVBSAA-INIZCTEOSA-N 383.451 4.796 0 40 GJAB CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccco4)cc3o2)cc1 9660290 CYRWOPFUFOTKQA-UHFFFAOYSA-N 375.380 4.704 0 40 GJAB biogenic COc1cccc([C@H]2CCCN2CC(=O)Nc2cccc(Cl)c2Cl)c1 10226124 OJQBBARAXJIIFP-QGZVFWFLSA-N 379.287 4.778 0 40 GJAB Cc1ccc(N(C(=O)c2ccc(Br)o2)C(=O)N2CCCCC2)cc1 10254534 CHWCLGHFORIPKU-UHFFFAOYSA-N 391.265 4.603 0 40 GJAB O=C(/C=C/c1cccc2ccccc12)NC1CCN(C(=O)Nc2ccccc2)CC1 11291455 KONBOVJZHHMOLK-BUHFOSPRSA-N 399.494 4.666 0 40 GJAB C[C@H]1CN(c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2Cl)C[C@@H](C)O1 12418079 VCZMNVIKSOKHDW-TXEJJXNPSA-N 395.837 4.876 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)c2c[nH]c3ccc(Br)cc23)cc1 12794199 DNXSAZRLJRXNRZ-LJQANCHMSA-N 399.288 4.916 0 40 GJAB COc1ccccc1NC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1Cl 12802079 JAHIUIKSERSSTN-KRWDZBQOSA-N 390.867 4.553 0 40 GJAB COc1ccccc1NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12 12805418 NGBOSGZQFMGDGR-UHFFFAOYSA-N 379.441 4.829 0 40 GJAB CCCN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 12886741 TZLQYWBBKTWWNG-UHFFFAOYSA-N 388.471 4.589 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 12981334 GAHVARDOJSGTHD-UHFFFAOYSA-N 387.357 4.617 0 40 GJAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(F)c(Cl)cc1Cl 12988515 OEFWNAPAGFRBMA-CYBMUJFWSA-N 384.234 4.943 0 40 GJAB CCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1cccc(Cl)c1 13010057 CZDQUTCVNBIKHR-LLVKDONJSA-N 377.901 4.978 0 40 GJAB O=c1/c(=C\c2ccccc2F)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 13739150 YPLBLUSHGBITRG-HMMYKYKNSA-N 398.462 4.777 0 40 GJAB COc1ccc(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c(OC)c1 14237476 GFECQNQLGDMFEV-QGZVFWFLSA-N 375.468 4.791 0 40 GJAB Cc1ccc(C)c(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 20458319 RVGLZJBBAHVRSC-UHFFFAOYSA-N 398.550 4.780 0 40 GJAB COc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)ccc1C 23011878 FCHPNCQOPWEITE-UHFFFAOYSA-N 375.428 4.900 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cc4cc(F)ccc4[nH]3)n2)c(OC)c1 24750644 MTWZANPAKDBHDS-UHFFFAOYSA-N 397.431 4.700 0 40 GJAB Cc1ccc(N2C(=O)N(Cc3coc(-c4ccc(C)cc4C)n3)C(=O)[C@@H]2C)cc1 24830274 KCIZFWUTXNRJCK-KRWDZBQOSA-N 389.455 4.624 0 40 GJAB Cc1ccc2oc(C(=O)N(Cc3ccco3)Cc3ccccc3F)cc(=O)c2c1 27992852 LNLZLTGTTSIBMN-UHFFFAOYSA-N 391.398 4.676 0 40 GJAB COc1cc([C@@H]2O[C@H]3CCCC[C@H]3c3cc4c(cc32)OCO4)cc(OC)c1OC 35741616 LOKJUZWMHIWIBX-JKXTWKSPSA-N 398.455 4.587 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1c(F)cccc1Cl 38753170 OXDITFPBLNGNPF-IBGZPJMESA-N 395.927 4.995 0 40 GJAB CNC(=O)c1ccc(CN(C)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 40096268 MMHSCCVJPCGOSX-UHFFFAOYSA-N 381.520 4.957 0 40 GJAB CNCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 40720670 ODUVGKKLTVWNJY-UHFFFAOYSA-N 387.738 4.925 0 40 GJAB CC(C)Sc1ccc(-c2nnc(NC(=O)NCc3ccc(F)cc3)o2)cc1 49025992 FJRWDRBPKMSLMK-UHFFFAOYSA-N 386.452 4.698 0 40 GJAB Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1ccc2ccccc2c1 50534727 UWLTUTNEQUMONW-UHFFFAOYSA-N 398.553 4.502 0 40 GJAB Cc1ccc(-n2nnc(C(=O)NCc3ccc(C(C)C)cc3)c2C)cc1Cl 51317778 YHDFBUWEWBWHJX-UHFFFAOYSA-N 382.895 4.591 0 40 GJAB Cc1nc2cc(C(=O)N(C)CCCNc3ccccc3)ccc2n1-c1ccccc1 58311415 URBIAVPBUNBKOZ-UHFFFAOYSA-N 398.510 4.908 0 40 GJAB Nc1ccc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)sc2c1 59040689 LKASSDSDYLONPQ-UHFFFAOYSA-N 384.313 4.916 0 40 GJAB O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(-c2ccco2)on1 65871752 KOXWBHHGFGWBIM-UHFFFAOYSA-N 380.350 4.732 0 40 GJAB c1cnc2ccc(CN3CCC[C@@H]3c3ccnc(Nc4nccs4)n3)cc2c1 72377992 WSLSDQOKRVXBIT-LJQANCHMSA-N 388.500 4.562 0 40 GJAB Cc1nc(-n2cccc2)sc1C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 72401741 CNYOQOUKXWQYIR-UHFFFAOYSA-N 396.903 4.575 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1ccco1)c1ccc(N2CCCCCC2)nc1 95352911 DQHJDVMIYCOTMH-QFIPXVFZSA-N 375.472 4.574 0 40 GJAB COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H](c1ccccc1)CC(=O)O2 96116338 HAKUYWJTGHOQGG-QGZVFWFLSA-N 398.414 4.910 0 40 GJAB biogenic COc1ccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)cc1Cl 96383528 JTBPXQFNJOQFGS-UHFFFAOYSA-N 393.917 4.556 0 40 GJAB C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1[C@@H](C)CCC[C@H]1C 108852553 UNHYISUNSMWEAB-OTWHNJEPSA-N 379.500 4.540 0 40 GJAB Cc1cc(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(O)o1 137817938 RFOIOFLULFPGSL-IBGZPJMESA-N 379.437 4.717 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223493027 LDRXGOSHKGORPZ-HNNXBMFYSA-N 391.855 4.794 0 40 GJAB CC(C)(C)c1ccccc1OCC(=O)NCCOc1ccc2ccccc2c1 223639050 SIKLQKRCTXIRAS-UHFFFAOYSA-N 377.484 4.711 0 40 GJAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)ccc1F 224895910 FODVREZFHKCKCP-NHCUHLMSSA-N 394.519 4.662 0 40 GJAB O=C(NCc1cccnc1-c1cccs1)c1cc(Br)cs1 225762000 WYFQOHHXIIQCNI-UHFFFAOYSA-N 379.304 4.564 0 40 GJAB O=C(O)c1cc(OCc2c(Cl)cccc2Cl)cc(Br)c1O 226346504 VKJCDBTZOUAXIF-UHFFFAOYSA-N 392.032 4.739 0 40 GJAB O=C(CCc1ccc(F)c(Cl)c1)N1CC[C@@H](Oc2cccc3cccnc23)C1 238894022 QWPHWYSLOFWXKB-QGZVFWFLSA-N 398.865 4.640 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)c2ccccn2)n1 257343209 ZRXJXSNUJTUVJW-JOCHJYFZSA-N 375.447 4.959 0 40 GJAB Cn1c(COc2cccc3ccccc23)nnc1SCC(=O)c1ccccc1 408596334 RNYICJHQLRTZIK-UHFFFAOYSA-N 389.480 4.522 0 40 GJAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cc2ccccc2o1 408628241 RIAVWNPLVMKAGW-UHFFFAOYSA-N 381.240 4.572 0 40 GJAB COc1cc2c(cc1OC)[C@H](NC(=O)Cc1cn(C(C)C)c3ccccc13)CC2 524734637 XKEKSUVRWFVWDK-HXUWFJFHSA-N 392.499 4.586 0 40 GJAB C[C@H](NCc1ccc(CN2CCCC[C@H]2C)cc1)c1ccc2c(c1)CCC(=O)N2 532192863 ZPCQJTOYZQYQFI-MOPGFXCFSA-N 391.559 4.797 0 40 GJAB Cc1ccncc1CC(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 585101483 YAMMXBRWDFBLMJ-UHFFFAOYSA-N 399.922 4.629 0 40 GJAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 585293241 SPIMIXQJHZPELF-IWGBCORSSA-N 399.498 4.609 0 40 GJAB Cc1nccn1-c1ccc([C@H](C)NC(=O)NC2CCC3(CC2)CC3(F)F)cc1 664372781 JBTOQWLPFSAASK-JTOQLSFASA-N 388.462 4.509 0 40 GJAB O=C(Cc1ccc2n[nH]cc2c1)NC(CCc1ccccc1)CCc1ccccc1 1545740280 TTZISFZGDKKLFB-UHFFFAOYSA-N 397.522 4.856 0 40 GJAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)N(C(C)C)C(C)C)n12 929752 NSZWPIZKNTYFEL-UHFFFAOYSA-N 384.549 4.545 0 40 GJAB CC[C@H](C)OC(=O)COc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 957120 GILHRQBZQXCWOM-ZDUSSCGKSA-N 386.831 4.834 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12 1924405 XNMLMZOSWDPBGO-UHFFFAOYSA-N 396.903 4.884 0 40 GJAB Nn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccc(Cl)cc1 3351917 DVQLZEZJJQNZGE-UHFFFAOYSA-N 399.932 4.728 0 40 GJAB COc1ccc(CN(C(C)=O)C(=O)CC[C@]2(C(C)C)CCOC(C)(C)C2)cc1 4062871 BFBSQGWEYIKZKQ-QHCPKHFHSA-N 389.536 4.582 0 40 GJAB biogenic CCOC(=O)C1=C(OCc2ccc(C(F)(F)F)cc2)[C@@H]2C=C(C)C=C[C@H]2N=C1 4107054 FHBPWQXNCCKGMB-SJLPKXTDSA-N 391.389 4.625 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCc2ccccc21 4305461 MRHJZSUBPJZPCB-HXUWFJFHSA-N 396.943 4.864 0 40 GJAB O=C(CSc1ccc(-c2cccs2)nn1)Nc1nc2ccccc2s1 4357868 LSDMHHFRRSOUEN-UHFFFAOYSA-N 384.511 4.546 0 40 GJAB CCc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(Cl)s3)sc2c1 4359210 RHJQCEJZUBMVIZ-UHFFFAOYSA-N 393.965 4.782 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 4548604 JNNJCIRFXWOQQY-UHFFFAOYSA-N 377.828 4.568 0 40 GJAB O=C(CSc1nnc(-c2ccccc2Br)o1)c1cccs1 4668804 XXCNGEABLTZMOM-UHFFFAOYSA-N 381.276 4.536 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccccn2)n2c(nc3ccccc32)N1 4731514 HROJWVJAMQFEGM-JOCHJYFZSA-N 395.466 4.667 0 40 GJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1cc(C)ccc1C)OCO3 4849555 MRLOJRXPJFHBOS-UHFFFAOYSA-N 394.496 4.874 0 40 GJAB COc1cc2[nH]c(C(=O)Nc3ccc4ccccc4c3)cc2c(OC)c1OC 5348569 DIPAQWUCUVDZPL-UHFFFAOYSA-N 376.412 4.599 0 40 GJAB O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc2c(c1)OCO2 5584004 JOXDGRKKMBUHRC-UHFFFAOYSA-N 389.782 4.818 0 40 GJAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Cl)cc1 5769745 SRVRMMVPOIJJRF-UHFFFAOYSA-N 375.049 4.773 0 40 GJAB COc1c(S(=O)(=O)Oc2cc(C)nc3ccccc23)ccc(Cl)c1Cl 5990504 RCQNSWHAGGQNFP-UHFFFAOYSA-N 398.267 4.626 0 40 GJAB COc1ccc(Br)cc1/C=C/c1nc2sc(C)c(C)c2c(=O)[nH]1 6648513 CGKPYTKYPIAPFQ-QPJJXVBHSA-N 391.290 4.543 0 40 GJAB CSCC[C@@H](NC(=O)c1oc2c(F)cccc2c1C)c1nc2ccccc2[nH]1 6657840 BIYAPFFYVUYOCV-QGZVFWFLSA-N 397.475 4.981 0 40 GJAB Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)oc2ccccc12 7408877 GVINDCUYXUYBAU-UHFFFAOYSA-N 378.409 4.846 0 40 GJAB O=C(c1ccc(F)cc1Cl)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 7718307 SEUWLOAUWCGMMG-ZDUSSCGKSA-N 390.867 4.915 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)c1C 7929031 AGBZMLDWQPHAPI-OAQYLSRUSA-N 385.463 4.929 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1ccc2ccccc2c1 8009772 AQETWVNAZCRZKC-UHFFFAOYSA-N 383.495 4.843 0 40 GJAB C[C@H]1C[C@@H](Sc2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)C(=O)O1 8192521 XFCVZHYMQQMBCG-BLLLJJGKSA-N 399.497 4.870 0 40 GJAB Cc1cccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)c1 8476898 KXOGXBMEJJKSMK-UHFFFAOYSA-N 394.906 4.959 0 40 GJAB O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccccc1Cl 9226208 LKLVUCJGQVWJKD-UHFFFAOYSA-N 382.822 4.661 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 9226659 ZARKTBSHHRQBNH-QGZVFWFLSA-N 388.467 4.829 0 40 GJAB Cc1ccc(SCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 9489304 IGFYMZAPKCVNMX-UHFFFAOYSA-N 382.529 4.742 0 40 GJAB CCn1c(CN2CCCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 9958719 KSCCOYXKELZUNS-UHFFFAOYSA-N 382.552 4.951 0 40 GJAB O=C(CSc1nc2ccccc2o1)Nc1ccc2c(c1)OC1(CCCC1)O2 10026783 VCQQJHHCVDLSCB-UHFFFAOYSA-N 382.441 4.600 0 40 GJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCC2=O)c(Cl)c1 11139671 TZAJBAYPVDAXMC-UHFFFAOYSA-N 396.796 4.667 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(F)cc1Br 11573243 MHDRKJFPASHQRD-UHFFFAOYSA-N 377.257 4.749 0 40 GJAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 11614175 DCKILVYOCHAQLX-VIFPVBQESA-N 376.692 4.787 0 40 GJAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1OC(F)F 12785197 OTOGLQOESKBAIX-UHFFFAOYSA-N 380.441 4.711 0 40 GJAB COc1ccc2c(c1)c(-c1csc(NC(=O)c3ccccc3)n1)c(C)n2C 13551438 FBYZEJHXNXSCHE-UHFFFAOYSA-N 377.469 4.871 0 40 GJAB COC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 13687500 JOFAOLDXJUMTCI-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB COc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 13800931 IYTXMKHNQQHTTJ-VWNXMTODSA-N 386.451 4.946 0 40 GJAB CC[C@H](C)Cn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 13807262 WWQLNDMYYBVNLM-DLBZAZTESA-N 377.488 4.612 0 40 GJAB Cc1nc(Sc2nnc(NC3CC3)s2)c2c3c(sc2n1)C[C@H](C)CC3 14077497 YETIBEHNACSVGW-MRVPVSSYSA-N 389.575 4.702 0 40 GJAB O=C1C[C@@H](c2cccc(F)c2F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15107225 BYJIADYNGMQAFA-LBPRGKRZSA-N 385.391 4.866 0 40 GJAB COc1ccc(C(=O)c2oc3ccc(NC(=O)C(C)(C)C)cc3c2C)cc1OC 15729466 AYGFPQZZEQUEFW-UHFFFAOYSA-N 395.455 4.974 0 40 GJAB biogenic CCOc1ccc(CCC(=O)NCCc2ccc(C(C)C)cc2)cc1OCC 22526934 ASYSMGYTEBYTJR-UHFFFAOYSA-N 383.532 4.899 0 40 GJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2[nH]cnc2c1 24503805 RBCUEUPSNKLWAS-MRXNPFEDSA-N 398.466 4.648 0 40 GJAB COc1ccc(CN(C(=O)c2cc(Cl)cc(Cl)c2)C2CC2)c(OC)c1 25292002 MIHWLISMTROOIZ-UHFFFAOYSA-N 380.271 4.815 0 40 GJAB CCOc1ccc(Nc2ncccc2C(=O)N(C)Cc2cccc(OC)c2)cc1 25494129 ZNGJUIUPBZCOFV-UHFFFAOYSA-N 391.471 4.505 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)Nc2nc3c(C)cccc3s2)no1 26365617 VBWBFWNJUWTVAC-UHFFFAOYSA-N 396.497 4.841 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1Cc1nc2ccccc2o1 26603767 BLFZBSMKTQXZKF-INIZCTEOSA-N 390.270 4.738 0 40 GJAB Cc1ccc2nc(COC(=O)c3c4c(nc5ccccc35)CCCCC4)cn2c1 32823662 AQERLTMKAZJRGZ-UHFFFAOYSA-N 385.467 4.817 0 40 GJAB O=C(CCC(=O)c1ccccc1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 32904193 YRCUDOJOQOHQOF-UHFFFAOYSA-N 387.439 4.932 0 40 GJAB CC(C)Cc1ccc(C(=O)C2CCN(Cc3nc(-c4ccco4)no3)CC2)cc1 36396172 OPEDUIBBOPQTNV-UHFFFAOYSA-N 393.487 4.623 0 40 GJAB COc1ccc(CN(Cc2ccccc2)C(=O)Nc2ccccc2OC)cc1 58008083 LJHOFUWSUOVLOG-UHFFFAOYSA-N 376.456 4.938 0 40 GJAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CNc1cccc(C(F)(F)F)c1 59457394 GXBBNGQQLOFXKG-OVCLIPMQSA-N 396.365 4.950 0 40 GJAB CCOc1cccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)c1 67288217 ACKGOWLTUCJELF-UHFFFAOYSA-N 393.462 4.621 0 40 GJAB Cn1cnc2cc(CNCc3cn(-c4ccccc4)nc3-c3ccccc3)ccc21 89761869 BAWLVBSGTDZELL-UHFFFAOYSA-N 393.494 4.716 0 40 GJAB Cc1csc(-c2ccc(NC(=O)N3CCC[C@@H]3c3c(C)n[nH]c3C)cc2)n1 92734723 FNUQCCQGWPEKNH-QGZVFWFLSA-N 381.505 4.827 0 40 GJAB CCc1nc2cc(NC(=O)c3cccnc3Nc3cccc(F)c3)ccc2o1 95365187 SPRZFRMAHYFEMW-UHFFFAOYSA-N 376.391 4.920 0 40 GJAB CC(C)[S@@](=O)c1ccc(C(=O)Nc2ccc(F)cc2OC(C)(C)C)cc1 95451953 PJOYKGIJUOGPJE-SANMLTNESA-N 377.481 4.771 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 95478427 XYHKPMDZZHOZHP-VBKZILBWSA-N 390.936 4.539 0 40 GJAB COc1cc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)ccc1O 96767490 IALWRZFBZZBFFM-WZMONFQBSA-N 375.424 4.770 0 40 GJAB Cc1nc(S[C@H](C(N)=O)c2ccccc2)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 107488945 MSZQWYFHIPGFAE-LPBINRMYSA-N 383.561 4.816 0 40 GJAB O=C(NCCc1ccccc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 219417695 QOALPEDZYPVNHC-UHFFFAOYSA-N 391.342 4.564 0 40 GJAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)cc1 222839720 LESGKFASAVWATD-RTWAWAEBSA-N 376.529 4.562 0 40 GJAB COc1cc(C)c([C@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1C(C)C 223335618 UFQVWCSWYNFGML-KRWDZBQOSA-N 394.515 4.745 0 40 GJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc2ccccc2c1 223615978 ZYRGYFFOSUBKMW-SFHVURJKSA-N 385.463 4.956 0 40 GJAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(N2CCCCC2)nc1 223910772 ZUFYDRDIDDCWKC-UHFFFAOYSA-N 392.528 4.819 0 40 GJAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)C)c1 224556904 JSOFIFFHYHNMNJ-LEWJYISDSA-N 392.528 4.650 0 40 GJAB O=C(CSc1ccc(Cl)cc1)NCc1cccc(CN2CCCCC2)c1 224644805 PRWWABRNJBHYMI-UHFFFAOYSA-N 388.964 4.734 0 40 GJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCc1c(Cl)cccc1Cl 225364250 FHRHYSUFGGJJHL-UHFFFAOYSA-N 390.270 4.635 0 40 GJAB Fc1ccccc1CSCCNC(=S)Nc1ccc(Br)cc1 225411902 UGPAYHRUIFSLMO-UHFFFAOYSA-N 399.354 4.808 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1OCC 225498184 PXMILSNXBQMXGN-ZDUSSCGKSA-N 379.859 4.696 0 40 GJAB O=C(Nc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2F)CC1 225574815 ZRKASMSTSPVAJB-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB COc1ccc(NC(=S)NCCCSCc2ccccc2)c2cccnc12 225599533 SHHSORBNNCLMLF-UHFFFAOYSA-N 397.569 4.853 0 40 GJAB C[C@@H](O)c1ccc(C2(CNC(=O)c3cc(-c4ccccc4)on3)CCCC2)s1 225681735 PFPNCHIPGAHQEK-OAHLLOKOSA-N 396.512 4.698 0 40 GJAB COC(=O)c1cccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)c1C 225858785 JNULTYMOUZYSJP-UHFFFAOYSA-N 382.529 4.846 0 40 GJAB O=C(NC(=S)NNc1ccccc1)c1sc2cc(Cl)ccc2c1Cl 408624820 CEQAGVJXDOKAJI-UHFFFAOYSA-N 396.324 4.840 0 40 GJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C1=O 409020229 MWCZRGQFQUOJCY-FHXOWUIVSA-N 399.468 4.876 0 40 GJAB CCn1c(CN2CCCC[C@H]2CCc2ccccc2)nc2cc(C(=O)O)ccc21 576829640 CHHLHGCAMGMYRD-FQEVSTJZSA-N 391.515 4.742 0 40 GJAB Cc1cc(C(=O)N2C[C@@H](C)c3ccccc32)nn1-c1cccc(C(F)(F)F)c1 1129916791 MSFSCFBNMFKLSZ-CYBMUJFWSA-N 385.389 4.963 0 40 GJAB COc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2F)C3)cc1 1370557 SYUIHYHJOHTQHB-OALUTQOASA-N 397.494 4.542 0 40 GJAB CCCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(C)cc2)cc1 2248003 SDXFZVXNXBEGCR-HXUWFJFHSA-N 391.558 4.610 0 40 GJAB CCCSc1nnc2c(n1)O[C@@H](/C=C/c1cccs1)Nc1ccccc1-2 2742132 ADFWUSWYOMGNBV-SCOAYWHSSA-N 382.514 4.946 0 40 GJAB COc1ccc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c(OC)c1 2961319 KVNCSTNYEDDVAY-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2c(C)c(C)nc3ccccc23)c(Cl)c1 3216588 ZPVODBNKMUELMJ-UHFFFAOYSA-N 382.847 4.609 0 40 GJAB Cc1cc(C)c(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(C)c1 3229707 RUHVLFZZZRVTMQ-BQYQJAHWSA-N 391.389 4.826 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc(Cl)c2)c1 4585441 KVWCOAVYZTYXHL-UHFFFAOYSA-N 389.842 4.600 0 40 GJAB COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 4826190 ZEMMQYOCCVLRSG-CXUHLZMHSA-N 384.435 4.573 0 40 GJAB O=C(CCc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 5136269 DUTBSCROIJQFNO-UHFFFAOYSA-N 390.508 4.912 0 40 GJAB C[C@H](NC(=O)COc1cccc(Br)c1)C12CC3CC(CC(C3)C1)C2 5445174 SOHHHFBZPZCLGV-IVKJLDKCSA-N 392.337 4.549 0 40 GJAB O=C([C@@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1)N1CCCCC1 5473702 LLXITZGINQUASH-SFHVURJKSA-N 397.475 4.722 0 40 GJAB CC(C)(C)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 5833871 JOVARRUCCRAWIH-GFCCVEGCSA-N 380.332 4.694 0 40 GJAB Cc1cc(C)c(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c(C)c1 6231822 ILZOIRKDPQNUDV-UHFFFAOYSA-N 388.467 4.882 0 40 GJAB Cc1ccc(NC2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)cc1 6659220 GJBZTKYVMQLZIR-UHFFFAOYSA-N 390.299 4.940 0 40 GJAB CCc1ccc(Nc2nnc(S[C@@H](C(=O)N(C)C)c3ccccc3)s2)cc1 6830499 UICWMPXLKWRQEE-QGZVFWFLSA-N 398.557 4.766 0 40 GJAB COc1ccccc1-n1c(SCc2cccc(C)c2)nc2ccccc2c1=O 6834439 WMBCKAWHPQASSN-UHFFFAOYSA-N 388.492 4.995 0 40 GJAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1C 7608107 YNRDHMXCFMKAQL-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1CCc1ccccc1 7617517 XKUYGHSREZBMQW-UHFFFAOYSA-N 394.544 4.557 0 40 GJAB Cc1ccc(C2=Nn3c(C[C@H](C)c4ccccc4)nnc3S[C@H]2C)cc1C 7735531 YFWJMICBAZJTKB-IRXDYDNUSA-N 376.529 4.988 0 40 GJAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 7928120 VXULBQRSOZQYKC-NSHDSACASA-N 397.689 4.947 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Br)c(C)c1 7951874 JTEVZOQPKCTABB-LJQANCHMSA-N 399.288 4.660 0 40 GJAB COc1cc(CNCCCN(C)C)ccc1OCc1ccc(Cl)cc1Cl 8373858 FRQFIZCURAUTLP-UHFFFAOYSA-N 397.346 4.622 0 40 GJAB CCOc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 8654862 CXFJGKOXAWBBHM-OAQYLSRUSA-N 386.923 4.696 0 40 GJAB COc1ccc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)cc1OC 8903822 ZTEICJHLAXWNIU-UHFFFAOYSA-N 392.386 4.903 0 40 GJAB Clc1ccc(Cl)c(-c2nn3c(CCc4ccccc4)nnc3s2)c1 9047330 DJBOUFPNNMXMLR-UHFFFAOYSA-N 375.284 4.945 0 40 GJAB CCN(c1ccccc1C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 9578090 PNYZSZVXYWGPGH-UHFFFAOYSA-N 377.815 4.882 0 40 GJAB Cc1nc(-c2cccc(NC(=O)COCc3nc4ccccc4s3)c2)cs1 9910005 UIDXLVQBAYAVOS-UHFFFAOYSA-N 395.509 4.884 0 40 GJAB CCCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)Nc3ccccc3)nc21 12539489 UFHJDBFWCYKBJQ-AWEZNQCLSA-N 391.500 4.509 0 40 GJAB CC[C@@H](C(=O)O[C@H](c1ccc2c(c1)OCCO2)C(F)(F)F)c1ccccc1 12569408 OJZZKFGVEUBSJK-CRAIPNDOSA-N 380.362 4.798 0 40 GJAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COc1ccc(F)cc1 12599983 WYGIMJAAJQOQPA-UHFFFAOYSA-N 399.443 4.748 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 12732803 ODFSZLAKRKMAJW-YHLJFGAHSA-N 391.559 4.753 0 40 GJAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c(Cl)c1 12741415 IPUYFNJIVBZZFG-UHFFFAOYSA-N 380.835 4.751 0 40 GJAB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC([C@H](O)c2ccccc2)CC1 12917065 NBMHSRCDCWUWTJ-XMMPIXPASA-N 388.511 4.633 0 40 GJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 13684525 VLHGZBJXQXERCQ-UHFFFAOYSA-N 394.515 4.692 0 40 GJAB CCN(CC)CCCNCc1cc(Cl)ccc1OCc1ccccc1F 13734326 FSRGNUXENNRWCN-UHFFFAOYSA-N 378.919 4.880 0 40 GJAB O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)N[C@H]1CCCc2ccccc21 14633069 UXBZGSQKZIHODG-DQEYMECFSA-N 384.523 4.754 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2nc(Cl)ccc2Cl)cc1OCC 15966558 DVXCUPDHFWUWIN-LLVKDONJSA-N 383.275 4.677 0 40 GJAB Cc1noc2nc([C@H]3CCCN(Cc4ccccc4F)C3)cc(C(F)F)c12 19564368 JFIFWYXGAFFOKU-AWEZNQCLSA-N 375.394 4.988 0 40 GJAB CN(Cc1nnc(-c2ccc(Br)cc2)o1)Cc1ccc(Cl)s1 21579273 QHNDTNADRMGBJE-UHFFFAOYSA-N 398.713 4.846 0 40 GJAB O=C(NCCc1ccccc1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22072229 LBYQLJASMKTJML-UHFFFAOYSA-N 385.389 4.817 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccccc1OC 22511848 MCZKGEASVNZIBE-NRFANRHFSA-N 377.484 4.755 0 40 GJAB CC(C)c1noc([C@H](C)N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 22935578 IRHMMYRGDUYCLM-IBGZPJMESA-N 390.531 4.661 0 40 GJAB Nc1nc(COc2c(Cl)cccc2Cl)nc(Nc2ccc(Cl)cc2)n1 24754318 ZZZVQLDPNPIYIJ-UHFFFAOYSA-N 396.665 4.737 0 40 GJAB Cc1ccc(N2C(=O)N(Cc3coc(-c4ccc(C)cc4C)n3)C(=O)[C@H]2C)cc1 24830277 KCIZFWUTXNRJCK-QGZVFWFLSA-N 389.455 4.624 0 40 GJAB COc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)cc1 27582653 HIVRLNRHIBMINO-NRFANRHFSA-N 386.923 4.696 0 40 GJAB biogenic CCCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 27662185 BSWSKCMQIXIINZ-HXUWFJFHSA-N 386.923 4.696 0 40 GJAB O=C(Nc1cccnc1)c1cccnc1Sc1ccc(Br)cc1 32904762 ISNIEJCYIDWYTQ-UHFFFAOYSA-N 386.274 4.643 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)CN[C@H](c2ccc(C)cc2)c2cccs2)c1C 36403747 FFZSHDSMAPFNDZ-JOCHJYFZSA-N 380.513 4.766 0 40 GJAB CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)cc1 40118539 HPDMBFNTPZXJRR-HXUWFJFHSA-N 399.510 4.551 0 40 GJAB CN(C(=O)c1cccnc1Oc1cccc(Br)c1)c1ccccc1 40130817 WWICOSOWLDEHNZ-UHFFFAOYSA-N 383.245 4.913 0 40 GJAB COc1cc(Br)c(CNCc2ccc(OC(C)C)cc2)cc1OC 42225610 KXTSUFQGKWJMOE-UHFFFAOYSA-N 394.309 4.543 0 40 GJAB COc1cc(NC(=O)c2cc(F)ccc2-c2ccccc2)ccc1NC(C)=O 44774920 QEMBMRKDKQPYAI-UHFFFAOYSA-N 378.403 4.712 0 40 GJAB CC[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1 44946668 PFBIXIFGGSQDBR-QGZVFWFLSA-N 378.335 4.950 0 40 GJAB O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1cc2c(s1)CCCCCC2 46749656 GUBCKOQNOXWNEN-UHFFFAOYSA-N 396.512 4.703 0 40 GJAB CCCOC(=O)c1ccc(NC(=O)N(C)Cc2nc3ccccc3s2)cc1 48020219 HRLJNUKUULXSQH-UHFFFAOYSA-N 383.473 4.527 0 40 GJAB Cc1ccc([C@H](NCC(=O)Nc2ccnn2C2CCCC2)c2ccccc2)cc1 57270658 HXKDVBFYAWGTEQ-XMMPIXPASA-N 388.515 4.624 0 40 GJAB C[C@H]1CCCN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3[nH]c2=O)C1 57740248 JIPREIDXBGJOPH-SFHVURJKSA-N 398.510 4.613 0 40 GJAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 59351860 JLYUZKFHTSCMRO-HOTGVXAUSA-N 385.504 4.646 0 40 GJAB c1ccc(CCCNc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1 67262220 OERGRUNRGULFLM-UHFFFAOYSA-N 379.467 4.989 0 40 GJAB O=C(c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O)C(F)(F)F 71924239 DDKIEQQSVJOSMI-UHFFFAOYSA-N 396.162 4.703 0 40 GJAB COc1ccc(CN2CCC[C@H]2c2cccc(-n3ccnc3C(C)C)n2)cc1 72379117 NVAGRUPUFGKYMU-NRFANRHFSA-N 376.504 4.736 0 40 GJAB FC(F)(F)c1cccc(Br)c1N1CCN(Cc2ccccc2)CC1 95080908 DOVBEKDWOREDKI-UHFFFAOYSA-N 399.254 4.790 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc23)o1 96052752 IAOWQCWPUPIZPM-LJQANCHMSA-N 392.543 4.668 0 40 GJAB O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1cc(Cl)ccc1Cl 96103746 AGJRXPXTPFXHAX-UHFFFAOYSA-N 392.208 4.516 0 40 GJAB CCC(=O)N1CCc2ccc(NC(=O)c3ccccc3SC(F)F)cc2C1 96120186 BWPSRJOQOHMKIJ-UHFFFAOYSA-N 390.455 4.548 0 40 GJAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1Cc1ccccc1 102179272 WBEWKDOIQHXKQA-IRFCIJBXSA-N 377.484 4.585 0 40 GJAB O=C(O)C1=C[C@H](c2cccc(Oc3ccccc3)c2)n2c(nc3ccccc32)N1 102243847 ZVGYZYVAYXRBAT-OAQYLSRUSA-N 383.407 4.812 0 40 GJAB CC[C@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(OC)c(C)c1 222616086 VJRZCFVKWQFQGR-QHCPKHFHSA-N 394.559 4.792 0 40 GJAB Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)cc1Cl 222762064 CFYDJZAQIMKVKI-RBUKOAKNSA-N 383.904 4.906 0 40 GJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223075380 GXOZQZKVNIPNLV-XZOQPEGZSA-N 381.516 4.999 0 40 GJAB Fc1ccc(CNC(=S)Nc2ccc(N3CCCc4ccccc43)nc2)cc1 223948182 ONAIZOWSLWYEMV-UHFFFAOYSA-N 392.503 4.792 0 40 GJAB COc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1Cl 224363985 UJKJESRLFJJADZ-UHFFFAOYSA-N 388.291 4.804 0 40 GJAB Cc1cc(C)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)n1 225989441 VPJZBXIBYTVNEV-UHFFFAOYSA-N 388.968 4.935 0 40 GJAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 408628191 QODFGGOTRPQVIY-MRXNPFEDSA-N 397.544 4.591 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 408998317 LJUGGFASOROLJI-NRFANRHFSA-N 392.886 4.628 0 40 GJAB COc1ccccc1NC(=O)c1ccc(NC(=O)N2CCCC3(CC2)CC3)cc1 626231300 VPKKDKKGBOPHJK-UHFFFAOYSA-N 393.487 4.746 0 40 GJAB COc1cc(C)c(NC(=O)N[C@H](Cc2ccccc2)c2ncco2)c(C)c1C 654083095 DKYQCXUOKDWQBX-GOSISDBHSA-N 379.460 4.714 0 40 GJAB c1ccc(CSCc2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 1501039868 CACGPAFYWDSFDM-UHFFFAOYSA-N 389.509 4.834 0 40 GJAB Cc1cccc2cc(CN(C(=S)Nc3ccccc3)C3CCCC3)c(=O)[nH]c12 907810 ZQAPADZFCMBVQI-UHFFFAOYSA-N 391.540 4.978 0 40 GJAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1 2398496 UMTHLOUFNYJJTQ-KBMIEXCESA-N 381.840 4.673 0 40 GJAB Cc1ccc(N2C(=O)C[C@]3(CC4c5ccccc5C3c3ccccc34)C2=O)cc1 2408485 OESOBPSXIRIDQX-GNCHDMCWSA-N 379.459 4.926 0 40 GJAB O=C(CSc1nc2ccccc2c2nc(-c3ccccc3)nn12)c1ccccc1 2968989 MLUSSHFZDGKCJC-UHFFFAOYSA-N 396.475 4.920 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2)cc1OCC 3334451 QMBMJGYHQSBASU-ZDUSSCGKSA-N 392.293 4.738 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)Nc1ccc(Cl)cc1 4304994 UBYNUOTWBNXRDC-IBGZPJMESA-N 381.863 4.859 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1cccc2ccccc12 4747011 MQAMYZBUJMTCJT-UHFFFAOYSA-N 384.888 4.694 0 40 GJAB CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 5019758 RKDZJFLJNYFEJR-UHFFFAOYSA-N 391.467 4.683 0 40 GJAB COc1ccc(-c2n[nH]c(SCCCOc3ccc(Cl)cc3)n2)cc1 5320537 FFRQRVGXEYYETN-UHFFFAOYSA-N 375.881 4.695 0 40 GJAB CCCC(=O)NC(=S)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1OC 5946061 AUBHYJKIKXMCIR-UHFFFAOYSA-N 397.500 4.733 0 40 GJAB O=C(CCc1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 6574972 KJTYEPBGVLJRNI-UHFFFAOYSA-N 386.826 4.805 0 40 GJAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3Cl)n2)cc1 7720396 GQQFBDZRQINHLE-UHFFFAOYSA-N 376.243 4.624 0 40 GJAB O=C(/C=C/c1cccc(F)c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 8036283 ZWYSZCXYJULZOB-NYYWCZLTSA-N 397.837 4.734 0 40 GJAB COC(=O)[C@H](C)Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 8134754 ZSGKKUMBZVEANU-LBPRGKRZSA-N 394.418 4.757 0 40 GJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCc2n[nH]c(-c3ccccc3)c2C1 8738542 MULWTADHQAUKGQ-UHFFFAOYSA-N 379.463 4.942 0 40 GJAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(Br)ccc1Cl 8752135 RGMKQBMXMXFFBC-UHFFFAOYSA-N 382.641 4.516 0 40 GJAB CCCc1cc(Nc2ccc(OCC)cc2)n2nc3nc(C)cc(C)c3c2n1 8844002 PUVPPTTVBUFAER-UHFFFAOYSA-N 375.476 4.989 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(C[C@H](C)c2ccccc2)s1 9095442 LWXIGPPNQUJZMN-LBPRGKRZSA-N 387.892 4.799 0 40 GJAB COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1 9135381 NUHLDWCNBKPBQF-UHFFFAOYSA-N 388.423 4.638 0 40 GJAB CC(C)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314702 NRTRUYHBRRVFQT-UHFFFAOYSA-N 394.496 4.863 0 40 GJAB O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)NCc1ccccc1 12323556 TUCOMVUJRAOKMD-UHFFFAOYSA-N 377.296 4.976 0 40 GJAB COc1ccc2cc(-c3csc(NC(=O)c4ccc5c(c4)OCO5)n3)oc2c1 12443606 KUDFHHLWMUGCFD-UHFFFAOYSA-N 394.408 4.546 0 40 GJAB COc1ccc2oc(C(=O)Nc3nc(C)c(-c4ccccn4)s3)c(C)c2c1 12517026 AUOBNBIRDZCHLQ-UHFFFAOYSA-N 379.441 4.829 0 40 GJAB Cc1cccc(N2CCN(C(=O)c3csc(-c4ccc(F)cc4)n3)CC2)c1C 12538349 NEBZLUSXDFWHEZ-UHFFFAOYSA-N 395.503 4.528 0 40 GJAB CN(C)c1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 12595731 RQHXTGUEQQKULT-UHFFFAOYSA-N 377.469 4.552 0 40 GJAB COc1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC(F)F 12606943 CVIJVKAELOYBDQ-UHFFFAOYSA-N 391.201 4.654 0 40 GJAB COc1ccc(Oc2cc(NC(=O)CCc3ccccc3O)ccc2OC)cc1 12674455 ZEIIWGFNTDPVPV-UHFFFAOYSA-N 393.439 4.773 0 40 GJAB CCOc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc(Br)c1OC 12758923 MQQCDZUDRPIIPE-KBPBESRZSA-N 396.325 4.509 0 40 GJAB COc1ccc(CCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 12998546 DFLYBKKBKWEAOI-UHFFFAOYSA-N 389.455 4.911 0 40 GJAB COc1ccccc1[C@@H]1N(c2ccccc2)N=C(C(C)=O)N1c1ccc(F)cc1 16138877 VJZFSOSVCMCYNK-QHCPKHFHSA-N 389.430 4.762 0 40 GJAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)c1 17079203 JRLPTDKHSIFMJZ-UHFFFAOYSA-N 387.936 4.684 0 40 GJAB CCOc1ccc(CN2CCCC[C@H]2c2n[nH]cc2-c2onc(C)c2C)cc1 19533257 QWQQTTPKTDZYNE-FQEVSTJZSA-N 380.492 4.807 0 40 GJAB CN(C)C1CCC2(CC1)CN(C(=O)CCC1CCCC1)Cc1ccccc1O2 19583984 MDBNAZBNCNZLSW-UHFFFAOYSA-N 384.564 4.621 0 40 GJAB COc1ccc2[nH]c(C)c(CCNCc3ccc(OC(F)(F)F)cc3)c2c1 19798236 JWWAMUMKTQNRLY-UHFFFAOYSA-N 378.394 4.716 0 40 GJAB CSc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 20029887 RVTWTRJHOPVTGV-SNVBAGLBSA-N 376.330 4.755 0 40 GJAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)c1 20456821 TXRNNPXKHHGZBF-JTQLQIEISA-N 384.657 4.517 0 40 GJAB COc1ccc(OC)c(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c1 22245891 FZVAFQMEEVLCBX-UHFFFAOYSA-N 387.436 4.604 0 40 GJAB c1ccc(-n2ncc(CNC[C@@H](c3cccs3)c3c[nH]c4ccccc34)n2)cc1 23983019 YEMFEUYGKZVROR-OAQYLSRUSA-N 399.523 4.732 0 40 GJAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(F)cc1Cl 24931514 BDNJQLVLRITCGA-LJQANCHMSA-N 383.854 4.531 0 40 GJAB C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(Br)c1 27745044 GMSWVXGNLSKIRU-LLVKDONJSA-N 386.211 4.888 0 40 GJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)c1 27993906 CNXSRUPZDMSHIO-QGZVFWFLSA-N 380.513 4.553 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC1CCCCCC1 28644457 RUWGXKKLACXOBU-UHFFFAOYSA-N 380.319 4.999 0 40 GJAB CC[C@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc(C)cc1 30754500 XIVVXLCQMRSOSB-SFHVURJKSA-N 376.294 4.712 0 40 GJAB CN(C(=O)c1cnn2c(-c3cccs3)ccnc12)[C@H]1CCCc2ccccc21 32968997 PIQNPSJCKHCALQ-SFHVURJKSA-N 388.496 4.607 0 40 GJAB COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1OC 32996084 FRRWOFAZSFNSKF-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2cccc(C)c2[nH]1 33063981 FIUMGLQCEKELPM-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB CCc1ccc2[nH]c(CSCC(=O)Nc3cccc(Cl)c3)cc(=O)c2c1 33064279 ZCENVJCYVGNWNO-UHFFFAOYSA-N 386.904 4.616 0 40 GJAB CCCCn1c(=O)c2sccc2n2c(SCc3cccc(C)c3)nnc12 35529091 KUSIVAHOTQHAOJ-UHFFFAOYSA-N 384.530 4.507 0 40 GJAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)c1OC 36367020 SQSRFPMMPGTCKC-HNNXBMFYSA-N 383.835 4.667 0 40 GJAB COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38835072 DSUYVEYJZYKDAN-CQSZACIVSA-N 393.314 4.853 0 40 GJAB Cc1nnc(NC(=O)c2cc3sccc3n2Cc2ccccc2Cl)s1 40268791 FGYRGIQIPKDPPF-UHFFFAOYSA-N 388.905 4.817 0 40 GJAB Cc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c(Cl)c1 41077042 FBSJKCPTGZSSJE-UHFFFAOYSA-N 383.879 4.932 0 40 GJAB COCCN(Cc1ccsc1)C(=O)C1(c2ccc(Cl)cc2)CCCC1 42382219 CGHXHSMDUDMZBP-UHFFFAOYSA-N 377.937 4.889 0 40 GJAB Cc1c(C(=O)Nc2cccc(Oc3ncccn3)c2)oc2c1C(=O)CC(C)(C)C2 44500413 ZGJZXGGLEGLZAR-UHFFFAOYSA-N 391.427 4.578 0 40 GJAB O=C(OCc1ccccc1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 44962948 GPYJBNLHEROROX-BGWNEDDSSA-N 377.484 4.787 0 40 GJAB C[C@@H](OC(=O)c1ccc2nc(N)sc2c1)c1nc2ccccc2n1C(F)F 46834872 GPOKYSTUQZUGPI-SECBINFHSA-N 388.399 4.541 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 53782694 HUXKFQABAOXCLA-LJQANCHMSA-N 382.460 4.616 0 40 GJAB COc1ccc(-c2cc(C[C@@H]3C[C@H](NC(=O)c4ccccc4)C3(C)C)no2)cc1 67890034 JUQGNCBEVGGIMY-GCJKJVERSA-N 390.483 4.737 0 40 GJAB biogenic,in-vitro CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2Cc2ccccc2)n1 72376603 ORALPPFYWUVJMJ-NRFANRHFSA-N 376.479 4.686 0 40 GJAB CC(C)(C)OC(=O)N1CCCN1c1nc(-c2cccs2)nc2ccccc12 89662260 TULDTYIVBAKTDQ-UHFFFAOYSA-N 382.489 4.721 0 40 GJAB CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NCc3ccccc3)c3ccccc3O2)C1 95455494 ZKZNSGBMOZTZPV-GBXCKJPGSA-N 394.515 4.680 0 40 GJAB CC(C)c1nc2ccc(NC(=O)c3cn(C(C)C)c(=O)c4ccccc34)cc2[nH]1 95472815 LAUGXODQANDDSX-UHFFFAOYSA-N 388.471 4.834 0 40 GJAB CN(Cc1ccccn1)C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 108937849 DOUQAGMSHXEXMO-UHFFFAOYSA-N 382.548 4.973 0 40 GJAB COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1F 218901865 BGVMKCVORFVNEX-UHFFFAOYSA-N 384.643 4.595 0 40 GJAB Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)CCS1 219301189 AIAOVNOAAIFWTO-AWEZNQCLSA-N 387.979 4.579 0 40 GJAB COc1cc2ccccc2cc1C(=O)NCc1cccc(CN2CCCCC2)c1 224683758 PMYHFRTTXFKCFM-UHFFFAOYSA-N 388.511 4.764 0 40 GJAB Cc1ccc(C(=O)Nc2ccccc2C(C)C)c(I)c1 225016841 BURHGKNOIASJIM-UHFFFAOYSA-N 379.241 4.975 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1C 225341423 RBZLXYAYWKDKKP-RTBURBONSA-N 381.516 4.533 0 40 GJAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(Br)cc1 225634617 ZLVDJIZLAOFBTF-CYBMUJFWSA-N 379.323 4.511 0 40 GJAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN(CC)CC)cc2)CCC[C@@H](C)C1 225662512 WNNOTGYNUGVOHG-XXBNENTESA-N 390.568 4.721 0 40 GJAB CCOc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)c2ccccc12 225915852 JGTVQCVWMASMIT-UHFFFAOYSA-N 383.488 4.891 0 40 GJAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1C 243032327 IAUBCNOKSAHPFU-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(C[C@@H]2CC=CCC2)C1 247805335 ANZNQKFCIDZDIG-SLSDLSHTSA-N 395.591 4.888 0 40 GJAB Cc1csc2nc(SCC(=O)Nc3ccc4ccccc4c3)nc(O)c12 408595311 GNBZHXMYRZMSIZ-UHFFFAOYSA-N 381.482 4.589 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1c1ccc(F)c(Cl)c1 707312 WQSWPHVLVDFDLD-FQEVSTJZSA-N 396.805 4.979 0 40 GJAB COc1ccc(CNC(=O)c2sc3nc4cc(C)c(C)cc4cc3c2N)cc1 915368 UCAMXDXICOVGCY-UHFFFAOYSA-N 391.496 4.587 0 40 GJAB O=C(Oc1ccc2ccccc2c1)c1ccccc1N1C(=O)c2ccccc2C1=O 991730 ZVGFBKXBDFBLGO-UHFFFAOYSA-N 393.398 4.860 0 40 GJAB O=C(c1cccc(F)c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363779 ZOTYINPJIHBOOL-HNNXBMFYSA-N 385.826 4.549 0 40 GJAB Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)c1ccccc1Cl 2172450 GQUNOMMNNYEESY-UHFFFAOYSA-N 392.886 4.815 0 40 GJAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2)CSC3)cc1 4077324 RBQOTMNKFMMDSR-UHFFFAOYSA-N 379.485 4.579 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)c(C)c1 4573142 CJVNREHIUZKDJP-UHFFFAOYSA-N 378.497 4.767 0 40 GJAB CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 4875272 MWADNPYAIBPPHE-UHFFFAOYSA-N 383.853 4.689 0 40 GJAB COc1ccc([C@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 5249129 GXJKWWDRJUFSCX-QHCPKHFHSA-N 399.425 4.974 0 40 GJAB COc1cc2sc(NC(=O)c3ccc(Br)cc3)nc2cc1Cl 6441335 HSHQAPUHSMESLK-UHFFFAOYSA-N 397.681 4.973 0 40 GJAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1C(F)(F)F 6587884 BNEFUQKHPFWCNJ-JJRVBVJISA-N 386.410 4.866 0 40 GJAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(F)cc1 7160825 NVLVSRHQCANXCJ-JTQLQIEISA-N 395.381 4.907 0 40 GJAB CCOC(=O)c1oc2ccc(Br)cc2c1CSc1nncs1 7194557 IRYLWBPZUCDZII-UHFFFAOYSA-N 399.291 4.516 0 40 GJAB Cc1cc(-c2nnc(CSc3nnc(-c4cccs4)n3C3CC3)o2)c(C)o1 7763801 NEYXVKDHUDAVST-UHFFFAOYSA-N 399.501 4.894 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 7842331 LYTZYFVKXANDGF-UHFFFAOYSA-N 380.879 4.506 0 40 GJAB COc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4C)o3)c2)c1 8189737 OBGYEPVYICKYKD-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB O=C(COc1ccccc1Cl)N1CCC(c2nc3ccccc3s2)CC1 11915918 HHXGJTJOHWSIIM-UHFFFAOYSA-N 386.904 4.735 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)NCC1(c2ccccc2)CCCC1 12101397 PUBMNQMPKKABOH-UHFFFAOYSA-N 377.513 4.755 0 40 GJAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 12137060 QIUYALSXXSAERA-GOSISDBHSA-N 394.515 4.806 0 40 GJAB c1csc(-c2cc(CSc3nnc([C@H]4COc5ccccc5O4)o3)no2)c1 12906049 YYRSBANAROZYIN-OAHLLOKOSA-N 399.453 4.591 0 40 GJAB O=S(=O)(N[C@H]1CCSc2ccc(F)cc21)c1cccc(Cl)c1Cl 15359977 AXASKEVVKTWRRM-LBPRGKRZSA-N 392.304 4.648 0 40 GJAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(CC)cc2)o1 15881439 NYAIRXHDGIDMSM-UHFFFAOYSA-N 388.471 4.845 0 40 GJAB NC(=O)c1ccc(CSc2ncnc3scc(-c4ccccc4)c23)cc1 16806714 JRIYPSJCZBWGRU-UHFFFAOYSA-N 377.494 4.750 0 40 GJAB C[C@@H](Cc1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18067125 KIBKZTJXDIKILT-WMPMRBLUSA-N 393.486 4.510 0 40 GJAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19463240 OOEHXHHVENESOG-JHJVBQTASA-N 395.450 4.586 0 40 GJAB Cc1cc(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)ccc1Cl 20144245 CEMPQORPMYLMGI-UHFFFAOYSA-N 388.634 4.671 0 40 GJAB COc1ccc(C)cc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 20578957 PYJOMTKWVIKIIF-UHFFFAOYSA-N 386.455 4.607 0 40 GJAB CCn1cc(C(=O)Nc2c(C)cccc2C(C)C)c(=O)c2cc(OC)ccc21 22235984 TWKIGEPOFUHPRG-UHFFFAOYSA-N 378.472 4.714 0 40 GJAB O=C(NC12CC3CC(CC(C3)C1)C2)c1csc(COc2ccc(F)cc2)n1 23080960 PYSVKMQRAMZUEZ-UHFFFAOYSA-N 386.492 4.560 0 40 GJAB CC(=O)N(C)c1ccccc1C(=O)NCCc1c(C)cc(C(C)(C)C)cc1C 24976986 HHIRWILGYJAYDD-UHFFFAOYSA-N 380.532 4.556 0 40 GJAB Cc1noc2ncc(C(=O)N(CCc3cccs3)Cc3cccs3)cc12 25848094 VOJMDHKZLWPOIG-UHFFFAOYSA-N 383.498 4.539 0 40 GJAB CC(C)[C@H](Sc1nc2cc(F)c(F)cc2[nH]1)C(=O)N(C)c1ccccc1 27085280 ITWWOWLHRZTMCC-KRWDZBQOSA-N 375.444 4.621 0 40 GJAB CCc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)NC2CCCCC2)cc1 27526553 NLEWTBGMGDDEKM-UHFFFAOYSA-N 395.551 4.616 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(OC(F)(F)F)cc1 28686197 LTJGQLQTTRAKAH-UHFFFAOYSA-N 389.421 4.737 0 40 GJAB COc1ccc(-c2nc(C)c(C(=O)N(C)[C@H](C)CC(C)C)s2)cc1OC 30426295 KOIOIEVYUPJGTA-CYBMUJFWSA-N 376.522 4.642 0 40 GJAB CCC(=O)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32114777 AFJHWOOVZUCPRT-UHFFFAOYSA-N 395.818 4.649 0 40 GJAB O=C(NCCc1ccccc1)Nc1ccccc1NC(=O)c1ccccc1Cl 36709609 OOBNZHLJILROIR-UHFFFAOYSA-N 393.874 4.957 0 40 GJAB O=C(CCCc1nc(-c2ccc(F)cc2)no1)N1CCCCc2ccccc21 40133893 TWGCHZYZIZHCAD-UHFFFAOYSA-N 379.435 4.568 0 40 GJAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1OC(F)(F)F 48355813 MLFQNGWRCJDBST-GFCCVEGCSA-N 399.390 4.713 0 40 GJAB COc1ccc(/C=C/c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1 51364636 WZNZWJKRCVVRSD-IZZDOVSWSA-N 382.876 4.609 0 40 GJAB CC(C)(C)c1cc(CCC(=O)NC2CCSCC2)cc(C(C)(C)C)c1O 58166120 KESWEWOPFDDLBT-UHFFFAOYSA-N 377.594 4.932 0 40 GJAB Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CCc4c(O)cccc43)s2)cc1 72235924 XBFUQNHPXCXJMJ-GOSISDBHSA-N 379.485 4.557 0 40 GJAB COc1cccc(NC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c1 72289153 FHUYCOSZQZSMES-UHFFFAOYSA-N 394.500 4.625 0 40 GJAB COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)c3ccc(F)cc3)n2)c1 72357613 ASEABFSVRQMPIV-QHCPKHFHSA-N 390.458 4.797 0 40 GJAB CNc1ncccc1CN1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72358222 KKNPCWBTDVCFMD-JOCHJYFZSA-N 376.479 4.585 0 40 GJAB CSc1ccccc1C(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200183 VGCPBKZPNDOCFH-SJORKVTESA-N 384.501 4.698 0 40 GJAB Fc1cccc(-c2ccc3nc(C4CCN(Cc5cccs5)CC4)nn3c2)c1 96038194 IGHMHDKKPRQJIC-UHFFFAOYSA-N 392.503 4.977 0 40 GJAB COCc1ccc([S@](=O)Cc2ccc(OC)c(SC(F)(F)F)c2)cc1 97011077 MFUSFFZXXAYOKY-VWLOTQADSA-N 390.448 4.761 0 40 GJAB COc1cccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2cccc(OC)c2)c1 97165206 VWGOCJNSXUPALH-HXUWFJFHSA-N 392.480 4.757 0 40 GJAB Cc1ccc(C)c(NC(=S)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c1 100426906 FGXLZHIMVWXRBB-QZTJIDSGSA-N 387.593 4.548 0 40 GJAB CC(C)(CC(=O)NCc1cccs1)CC(=O)Nc1cccc(C(F)(F)F)c1 199410973 LBJQRUBWEWWVNA-UHFFFAOYSA-N 398.450 4.828 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)c1 223257066 GJYKXIDZLVNVOE-QFIPXVFZSA-N 395.499 4.847 0 40 GJAB COc1cccc(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)c1 224111752 NWOWNSIZDWUTGL-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1C1CCCC1 225011846 SVGFASSHLCRONJ-RTWAWAEBSA-N 380.561 4.913 0 40 GJAB CCOC(=O)c1cc(NC(=S)NCc2ccccc2Cl)ccc1Cl 225372260 ZKZXZTATIUZRPV-UHFFFAOYSA-N 383.300 4.657 0 40 GJAB CC(C)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225707978 QUXANLIWVPAKCX-UHFFFAOYSA-N 390.530 4.568 0 40 GJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225749528 GOVDWUSYIDZFGH-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(Br)c(Cl)c1 225782983 DMVRUUKPPQHORQ-NSHDSACASA-N 399.741 4.856 0 40 GJAB CCc1ccccc1NC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 408620304 LSMRNNWYCZGOJK-UHFFFAOYSA-N 398.557 4.828 0 40 GJAB CCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1 408627637 MWENHHYZEAHQAC-UHFFFAOYSA-N 399.299 4.615 0 40 GJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1 408777811 JIPDWZMBVKQWMD-MUMAZLPKSA-N 389.318 4.611 0 40 GJAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]21)c1ccccc1 409370835 DTKWDYDQAMGVCI-RFZJPIJTSA-N 375.855 4.735 0 40 GJAB O=C(Nc1ccccc1)Nc1ccc(-c2noc([C@@H]3CC34CCOCC4)n2)cc1 515537865 WUJOJPALWBKYMU-SFHVURJKSA-N 390.443 4.665 0 40 GJAB COc1ccc(Nc2nc(C(=O)N(C)[C@H](C)c3ccc(F)cc3)cs2)cc1 524865214 QFWRICIADAWCAC-CYBMUJFWSA-N 385.464 4.868 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1c(F)cccc1Cl 575610435 MYQBDVBBCPIITH-KRWDZBQOSA-N 375.852 4.671 0 40 GJAB Cc1cc(Br)cc(C)c1N1CCC[C@H](NCc2cccc(O)c2)C1 1656218786 WHAODBIZVFFBMZ-SFHVURJKSA-N 389.337 4.530 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc2nsnc12 816378 PGCUSUQHJOCJEK-UHFFFAOYSA-N 388.811 4.700 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCc1cccc(C)c1 1186766 OZLPVXNJSKVHOJ-XDHOZWIPSA-N 383.469 4.639 0 40 GJAB Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2cccc(Cl)c2)s1 1342204 LEFFMWPMSBUHPE-UHFFFAOYSA-N 390.936 4.806 0 40 GJAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccccc1Cc1ccccc1 2635316 SWLKRDNOUZHPTL-OAQYLSRUSA-N 388.492 4.719 0 40 GJAB Cc1c(Cl)cccc1NC(=O)c1cc2cc(Br)ccc2oc1=O 3377148 OWWSBMFSUPIUNQ-UHFFFAOYSA-N 392.636 4.770 0 40 GJAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)cc1 3655315 DCQCQZWGFQNDCI-UHFFFAOYSA-N 385.419 4.854 0 40 GJAB Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1cccnc1Cl 4063077 RPZKUQPIJPOQCM-UHFFFAOYSA-N 380.860 4.967 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)c(C)c1 4077624 KGPGIPDXUVWEGV-UHFFFAOYSA-N 376.437 4.786 0 40 GJAB O=C(CCc1ccccc1)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4088763 VPQDZNRZSIHJEJ-UHFFFAOYSA-N 383.904 4.844 0 40 GJAB COc1ccc(Cc2nc3ccccc3n2C[C@H]2CC2(Cl)Cl)cc1OC 4385584 JWHPUFQBHSAJQR-CQSZACIVSA-N 391.298 4.838 0 40 GJAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccc(C)cc3)C2)cc1 4837110 UFGHKMIBIKPYAT-HSZRJFAPSA-N 390.508 4.843 0 40 GJAB CC(C)c1ccc(/C=C/C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 5024610 RYEAFGVNLRGSBS-VMPITWQZSA-N 382.573 4.783 0 40 GJAB CCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nc2ccccc21 5185338 RDDOKSKEXWEZDL-FQEVSTJZSA-N 379.529 4.902 0 40 GJAB Cc1oc2c(cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc32)c1C(=O)O 5234930 PMIYUMRMSFLDJX-UHFFFAOYSA-N 399.399 4.533 0 40 GJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cccc(Cl)c1Cl 5324678 XWVQJTSYPSLBSA-UHFFFAOYSA-N 398.246 4.913 0 40 GJAB CCOC(=O)c1sc(NC(=O)CCC2CCCCC2)c(C(=O)OCC)c1C 6350303 UFDLHCAKLARFQQ-UHFFFAOYSA-N 395.521 4.709 0 40 GJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)S2)cc1 6394947 OEWSUBBJIOOERR-YHTSIIMFSA-N 395.311 4.861 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H](Oc2ccccc2C(=O)O)c2ccccc2)c1 6508422 GZHLVRRRMREXGM-NRFANRHFSA-N 375.424 4.760 0 40 GJAB Cc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1NC(=O)c1ccco1 6649407 XNONCNCBQJECKS-QGZVFWFLSA-N 392.480 4.807 0 40 GJAB Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)ccc1Cl 6747531 RZONENDPRMIWMZ-UHFFFAOYSA-N 387.838 4.988 0 40 GJAB COc1ccc2nc(/C=C/c3cc(Br)c(O)c(OC)c3)sc2c1 6859803 GHCAUWCWXQPRAI-ZZXKWVIFSA-N 392.274 4.952 0 40 GJAB CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2ccc(F)c(F)c2)s1 7161553 RQUDJEYVFSOPAO-UHFFFAOYSA-N 383.485 4.664 0 40 GJAB CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1C1CC1 7618260 ZYGSTXXKRCABCU-IBGZPJMESA-N 392.528 4.956 0 40 GJAB COc1ccc(CNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 7969304 KPUDXOUWTNUFSA-UHFFFAOYSA-N 399.446 4.707 0 40 GJAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 8132850 XGAGBQGDQCAXMM-OAHLLOKOSA-N 395.528 4.885 0 40 GJAB COc1ccccc1-c1nnc(SCc2ccc(Br)cc2)[nH]1 10475488 KQODLOCTGHHUQN-UHFFFAOYSA-N 376.279 4.535 0 40 GJAB C[C@H](NC(=O)COc1ccc(Nc2ccccc2)cc1)c1nc2ccccc2[nH]1 12558942 AJUIKZCNKARRHI-INIZCTEOSA-N 386.455 4.563 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 12559605 CLBCQMFIVNQGSS-INIZCTEOSA-N 393.249 4.777 0 40 GJAB O=C1c2ccccc2N[C@@H](c2c(Cl)cccc2Cl)N1C[C@@H]1CCCO1 12563066 AHIFVVXUCUNGAP-KPZWWZAWSA-N 377.271 4.739 0 40 GJAB O=C(Cc1coc(-c2ccccc2)n1)Nc1ccc(Br)cc1Cl 12823997 OVWBEUHORQMYEJ-UHFFFAOYSA-N 391.652 4.939 0 40 GJAB CC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)cnc21 12901427 GRMJXSHAVJKIAQ-UHFFFAOYSA-N 381.436 4.527 0 40 GJAB CC(=O)c1ccc(OCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)cc1 12976529 UZQOWYHKVKICEA-JOCHJYFZSA-N 379.481 4.544 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1C 14427029 LUDGDJGGFINXGK-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB COc1ccc(-c2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cs2)cc1 15511497 RLBZTLUAAZHYSM-UHFFFAOYSA-N 392.524 4.914 0 40 GJAB CSc1nc(O)c2sc3nc(C(C)C)c4c(c3c2n1)CC(C)(C)OC4 17196935 RXYNQRNZBLGJDN-UHFFFAOYSA-N 375.519 4.642 0 40 GJAB CN(C)CC[C@@H](c1ccccc1)n1cncc1-c1cnn(C2CCCCC2)c1 19719957 IDYNXOPLWQKJNK-QFIPXVFZSA-N 377.536 4.793 0 40 GJAB C[C@H](CN(C)C(=O)CC1CCN(C(=O)CC2CCCCC2)CC1)c1ccccc1 19745392 YPGJSTBBKMLZDP-HXUWFJFHSA-N 398.591 4.848 0 40 GJAB N=c1n(CC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1 20840240 PGOVVWIRBBVHPO-UHFFFAOYSA-N 375.859 4.507 0 40 GJAB O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccccc1 21157510 KVULIXWXXLQNJA-UHFFFAOYSA-N 396.497 4.543 0 40 GJAB Cn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(=O)c2cc(F)ccc21 22236296 LVQRLLMFASELIY-UHFFFAOYSA-N 399.636 4.890 0 40 GJAB CCCOc1ccccc1NC(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S 22355276 VORYPPALBNKWLC-UHFFFAOYSA-N 396.516 4.734 0 40 GJAB COc1cc(C(=O)Nc2ccccc2N2CCCCCC2)ccc1OC(F)F 22829149 RXRBHDUVMKXMJW-UHFFFAOYSA-N 390.430 4.929 0 40 GJAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1 32074423 DBTRBYPICIQGEU-MRXNPFEDSA-N 380.835 4.683 0 40 GJAB COc1ccc2cc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)[nH]c2c1 32760155 HUVIQJHDGBKVRP-UHFFFAOYSA-N 378.428 4.860 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)CCCOc3ccccc3)cc2)cs1 32810838 JSLDRTXZRVRPDI-UHFFFAOYSA-N 380.513 4.636 0 40 GJAB O=C(COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)Nc1ccccc1 33327336 BPHJLHIRBOVQCW-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2cccc(Cl)c2)cc1 35684391 BLXOWIYZTCOQJQ-QGZVFWFLSA-N 394.862 4.992 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(C)c1 40106666 IJUKBVBTIIPLCP-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccc(-c2csc(NC(=O)COc3ccc(C(C)C)cc3)n2)cc1 40870432 LXAZEJSGVRXKGC-UHFFFAOYSA-N 382.485 4.960 0 40 GJAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 44841874 MFFFOKNENMCYGT-QFIPXVFZSA-N 383.513 4.914 0 40 GJAB CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)c(C)c1 44856493 KBHAMXYOIWBQCC-GGAORHGYSA-N 382.523 4.922 0 40 GJAB O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44917145 LTBLOQKXXQMYCE-IBGZPJMESA-N 396.506 4.998 0 40 GJAB COCCn1c(SCc2ccc(C(C)(C)C)cc2)nc2ccsc2c1=O 67259778 PVGAMSGOHSFSAB-UHFFFAOYSA-N 388.558 4.694 0 40 GJAB Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)cc1Cl 71328495 OVVVQTXIMHPGIK-UHFFFAOYSA-N 391.652 4.505 0 40 GJAB COc1ccccc1C(=O)Nc1cccnc1Oc1ccc2c(c1)N=C(O)CC2 72404727 LOFWODUKMINRCI-UHFFFAOYSA-N 389.411 4.669 0 40 GJAB C[C@H]1CN(c2nc(-c3cccs3)nc3nc(-c4ccccc4)oc23)C[C@H](C)O1 96346090 CGBBYQGIBBVVLJ-KBPBESRZSA-N 392.484 4.627 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C 100476996 SBFDSAWXXZJANB-FPTDNZKUSA-N 392.528 4.811 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222712006 UQSYPRZVRROUNE-JXFKEZNVSA-N 391.467 4.646 0 40 GJAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)o1 222760230 ZXXPAWTXQMJMPI-MOPGFXCFSA-N 383.904 4.906 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225205115 AYECGNKMBDMMBW-IERDGZPVSA-N 393.483 4.892 0 40 GJAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1Cl 225575696 WVFLKWHXDOVSSF-UHFFFAOYSA-N 391.870 4.955 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)NCCCc2cccc3ccccc23)c1 225808662 BXUIVLHWHGFNNS-UHFFFAOYSA-N 392.524 4.854 0 40 GJAB CCN1CC2(CCC(N(C)CC3CCCCC3)CC2)Oc2ccccc2C1=O 257201319 AHDNMMGXWGZCQX-UHFFFAOYSA-N 384.564 4.735 0 40 GJAB Cc1cc(O)cc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257325164 WRSUXZLKIYXVBZ-QHCPKHFHSA-N 388.467 4.798 0 40 GJAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=S)NC(=O)C(C)C)c3)nc2c1 408625339 XMHJUNNKSAUGLQ-UHFFFAOYSA-N 381.501 4.889 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 408673439 WWAFHUDVBWMWKC-GOSISDBHSA-N 379.500 4.950 0 40 GJAB Cc1ccccc1Nc1nc2nonc2nc1Nc1cccc(Br)c1 408720446 PEWAIEXNIRPFPH-UHFFFAOYSA-N 397.236 4.571 0 40 GJAB CC(C)Sc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2s1 408748442 AINHIUHKWMLGOG-QWHCGFSZSA-N 378.519 4.626 0 40 GJAB CCOC(=O)C1=C(C)N=C(SCc2cccc(F)c2)N[C@H]1c1ccccc1 408989112 JXNZLYDTHIAZRQ-IBGZPJMESA-N 384.476 4.597 0 40 GJAB Cc1cccc(NC(=O)N2CCC[C@H](c3nc(Cc4ccc(C)s4)no3)C2)c1 585084354 OMSRGOORVVBFSZ-INIZCTEOSA-N 396.516 4.750 0 40 GJAB Cc1cc(C)n(-c2ccccc2NC(=O)N[C@H](C)c2cc3cnccc3o2)n1 1562126324 XRRFGEZIDDVTHS-OAHLLOKOSA-N 375.432 4.513 0 40 GJAB Cc1cc(N2CCC(c3ccc(Cc4cccc(F)c4)cn3)CC2)nc(C)n1 2037629991 QNOCZIVGUJHANW-UHFFFAOYSA-N 376.479 4.602 0 40 GJAB Cc1ccc(S(=O)(=O)N(Cc2cccc(N)c2)c2cccc(Cl)c2)cc1 856390 CPYHSAZIBPEWRA-UHFFFAOYSA-N 386.904 4.626 0 40 GJAB O=C1c2ccc(Br)cc2C(=O)N1C(c1ccccc1)c1ccccc1 994321 BTARPBDSQPKIJT-UHFFFAOYSA-N 392.252 4.835 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1F)C1CCCCC1 1330157 HFFVVAXOTUIPBK-UHFFFAOYSA-N 379.431 4.907 0 40 GJAB O=C(CSCc1ccccc1)Nc1ccccc1C(=O)Nc1ccc(F)cc1 1428441 PBZZRXSAKWPBBS-UHFFFAOYSA-N 394.471 4.950 0 40 GJAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 1934055 KIHAMFLVHTZHMB-UHFFFAOYSA-N 379.843 4.654 0 40 GJAB Cc1ccc(OCCn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1 1980736 DRFXEBXLMAJPFO-UHFFFAOYSA-N 380.444 4.652 0 40 GJAB CN(C(=O)c1c(F)cccc1F)[C@]1(c2ccccc2Cl)CCCCC1=O 3241551 FUJMMLKZDWKSQP-FQEVSTJZSA-N 377.818 4.729 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Oc2ccccc2)c(C)c1 3665016 BWPSWSYDZNAMBH-JOCHJYFZSA-N 388.467 4.642 0 40 GJAB biogenic Cc1cc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)no1 4059660 JZGQCIZHWARNQF-UHFFFAOYSA-N 377.469 4.717 0 40 GJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc(Br)c1 4072185 VOUWZFFPULUNHT-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB COc1cccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)c1 5071077 PLQAGDHYYQIPNJ-UHFFFAOYSA-N 398.491 4.979 0 40 GJAB COc1ccccc1CNC(=O)c1cc2c(C)nn(-c3ccccc3C)c2s1 5215641 WLXOZLMIORNURU-UHFFFAOYSA-N 391.496 4.642 0 40 GJAB COc1ccccc1-n1c(SCc2ccc(C)cc2)nc2ccccc2c1=O 6035247 VULMJKSWSRBEOQ-UHFFFAOYSA-N 388.492 4.995 0 40 GJAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(OC(F)F)cc1 6260013 YHCPPVFCVCWDIT-UHFFFAOYSA-N 376.584 4.956 0 40 GJAB O=C(/C=C/c1cccc(F)c1)OCc1ccc(C(=O)Nc2ccccc2)cc1 6642740 UPWRENUYQBCTIL-SDNWHVSQSA-N 375.399 4.835 0 40 GJAB CC(=O)c1cccc(OCC(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1 6834190 DSYFJGSTPAKLHH-UHFFFAOYSA-N 380.469 4.647 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 6879936 FGVJUQWGBUYSPU-CSKARUKUSA-N 377.271 4.785 0 40 GJAB Cc1nn(CC(C)C)c2sc(C(=O)NCCc3c[nH]c4ccccc34)cc12 8404229 UKILPIPUNJXQSW-UHFFFAOYSA-N 380.517 4.516 0 40 GJAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O 8844977 AHBGCLBEFJIHPN-LJQANCHMSA-N 391.515 4.540 0 40 GJAB O=C(Nc1c(F)cc(F)cc1Br)c1cnc(Cl)c(Cl)c1 8943348 KSZKRALXYJLQFC-UHFFFAOYSA-N 381.991 4.681 0 40 GJAB COc1ccc(OC)c(/C=C/C(=O)N(Cc2c(C)noc2C)c2ccccc2)c1 11233170 SOOFHHSINBTLCG-JLHYYAGUSA-N 392.455 4.555 0 40 GJAB CCCCOc1ccc(-c2nonc2NC(=O)c2ccc(OCC)cc2)cc1 11914146 DWRBTGLUOYTRFL-UHFFFAOYSA-N 381.432 4.567 0 40 GJAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Cl 12749553 UCZMDDXFZWJGOX-IENJSVCTSA-N 382.891 4.539 0 40 GJAB COc1ccc(-c2csc3nc(C)nc(Oc4cccnc4)c23)cc1OC 12770497 AKDRKUACNOMTDP-UHFFFAOYSA-N 379.441 4.871 0 40 GJAB CC(C)c1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)cc1 13723215 HTOVRVWWIGEIJY-UHFFFAOYSA-N 394.496 4.886 0 40 GJAB Cc1ccc2nsnc2c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 13945848 FXDADUPRBHRRKP-VIFPVBQESA-N 382.272 4.713 0 40 GJAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(C(C)(C)C)cc1 15838879 PCLAANOROATHGI-UHFFFAOYSA-N 376.500 4.876 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20762885 NZHYBLIXVSSGPI-UHFFFAOYSA-N 377.875 4.820 0 40 GJAB biogenic Cc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)cc1 21805511 NBPIKDUCUUGOAU-IBGZPJMESA-N 395.528 4.669 0 40 GJAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@@H]1c1cccs1 22191288 JEIGIGJXYQPZCP-CYBMUJFWSA-N 386.498 4.941 0 40 GJAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc(SCc2cccnc2)cc1 24873954 FVVGKKADLQADTI-ONNFQVAWSA-N 388.492 4.961 0 40 GJAB C[C@@H]1Cc2ccccc2N1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1 25499586 JMWZNDZGVDIRNP-GFCCVEGCSA-N 379.510 4.664 0 40 GJAB Cc1cccc2c(Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccnc12 32609542 SMAOWGJORAPYDS-UHFFFAOYSA-N 395.528 4.852 0 40 GJAB CCCCC1CCC(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 32760615 PAAYDXJQAXBLRH-SOAGJPPSSA-N 386.584 4.707 0 40 GJAB Cc1cc2occ(CC(=O)Nc3ccc(C(=O)NC4CC4)cc3)c2cc1C(C)C 32869247 SPZGCKADRAXTTL-UHFFFAOYSA-N 390.483 4.938 0 40 GJAB Cc1cccc2c(=O)cc(CSCC(=O)Nc3ccc(C(C)C)cc3)[nH]c12 33063976 RHFADKSBRAYXEN-UHFFFAOYSA-N 380.513 4.832 0 40 GJAB O=C(NCCc1ccc(F)cc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 36395270 CMVMOELLVBBSNX-ROUUACIJSA-N 380.488 4.844 0 40 GJAB Cc1ccc(NC(=O)[C@@H](NCCc2c[nH]c3ccccc23)c2ccccc2)cc1 37197455 UEGBAIVOGHBGLZ-DEOSSOPVSA-N 383.495 4.988 0 40 GJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(-n2cc[nH]c2=S)c1 40087143 IQLULXYTYNDWDQ-UHFFFAOYSA-N 377.391 4.735 0 40 GJAB CCCCOc1ccc2oc(C)c(C(=O)NCCc3ccc(OC)cc3)c2c1 46085575 HYSSZQCKDAQBLT-UHFFFAOYSA-N 381.472 4.901 0 40 GJAB Cc1ccccc1COc1ccccc1[C@H]1SCC(O)=Nc2c1cnn2C 49545783 JWXDLCLKISMRIJ-HXUWFJFHSA-N 379.485 4.732 0 40 GJAB Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc(F)c3)c(C(F)(F)F)c2)n1 63332271 AKYUQGVMGPSFFM-UHFFFAOYSA-N 391.368 4.577 0 40 GJAB O=C(Nc1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 71789075 DLNMGMWYIVZGKX-UHFFFAOYSA-N 385.872 4.566 0 40 GJAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3cc(C4CC4)nc4onc(C)c34)C2)cc1 71847842 NIFMHIKKEQFBAW-SFHVURJKSA-N 389.499 4.812 0 40 GJAB Cc1cc(-c2cncnc2)cc([C@H]2CCCN2Cc2ccnc3ccccc23)n1 72372449 AVSYCSILNMRPAX-XMMPIXPASA-N 381.483 4.732 0 40 GJAB COc1ccc([C@H]2SC(C)=Nc3c2c(C)nn3Cc2ccccc2)cc1O 72403063 JMQAPEOQLHYGAR-HXUWFJFHSA-N 379.485 4.840 0 40 GJAB O=C(c1cc2ccccc2c(Cl)n1)N(Cc1cccnc1)Cc1ccco1 84594906 YSWAWVCYKGFJPW-UHFFFAOYSA-N 377.831 4.719 0 40 GJAB C[C@@H](NC(=O)CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1 89905541 OVPSVLAJFOJCIS-ZIAGYGMSSA-N 393.314 4.828 0 40 GJAB CCOC(=O)c1sc2nc(C)nc(N3CCCC[C@@H]3c3ccco3)c2c1C 95397839 RTGMXCVQLIOIMU-CQSZACIVSA-N 385.489 4.809 0 40 GJAB CCOc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1ccc(OC)cc1)=N2 100251170 YZUYACPEASIANE-UHFFFAOYSA-N 385.467 4.836 0 40 GJAB O=c1[nH]c2c(s1)[C@H](c1ccc(Br)cc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100864334 SQFALPKIUAOVMZ-OMRXRXQOSA-N 394.359 4.851 0 40 GJAB COc1ccc(-c2csc(C3=C(O)CN(c4ccccc4)C3=N)n2)cc1OC 102733687 GAOMFDMDZRDXHR-UHFFFAOYSA-N 393.468 4.594 0 40 GJAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCC5(C[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 119250676 WNKZGFORAZKXGS-GDLCRWSOSA-N 376.537 4.704 0 40 GJAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1C(C)C 223335416 DUXZOENJICIURE-QGZVFWFLSA-N 394.515 4.745 0 40 GJAB CCc1ccc(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 223619081 YPNRZHXZBSQCRM-UHFFFAOYSA-N 398.550 4.725 0 40 GJAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224406252 FEBKDWZYTJDPQS-UXHICEINSA-N 380.492 4.780 0 40 GJAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1sccc1C 224554066 XGQLOSBGLFZFOZ-ZWKOTPCHSA-N 381.526 4.637 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224614286 TWOFJPUWUKLWMO-IBGZPJMESA-N 394.559 4.664 0 40 GJAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 224976499 DFMVCXMHZWQGEG-MOPGFXCFSA-N 398.572 4.501 0 40 GJAB O=C(NCC1=N[C@H](c2ccccc2)c2ccccc2-n2cccc21)c1cccs1 225375905 YDPZHFKWSSUSCR-HSZRJFAPSA-N 397.503 4.861 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225678265 AKVQRRMGKSJAOF-SFHVURJKSA-N 398.528 4.679 0 40 GJAB Cc1csc2nc(SCC(=O)c3ccc(Cl)cc3Cl)nc(O)c12 408597873 XWIWXJLTLQWWTN-UHFFFAOYSA-N 385.297 4.987 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccccc2C)n1 408699048 RDEGFVBDWGSDSR-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 408702384 FGMJEGBNJSRGPN-KRWDZBQOSA-N 396.531 4.776 0 40 GJAB CC(=O)N1CCC[C@H](NCc2ccccc2Cl)[C@@H]1Cc1cccc(Cl)c1 585286190 OQKNHEKKZGGWPU-SFTDATJTSA-N 391.342 4.705 0 40 GJAB C[C@H](CC(=O)NCc1ccc(Oc2cccnc2)c(F)c1)c1ccccc1F 588369213 JCPYKTZQCMATRR-OAHLLOKOSA-N 382.410 4.962 0 40 GJAB Cc1cc(C)c2cc(C)c3nnc(SCC(=O)N4[C@@H](C)CCC[C@H]4C)n3c2c1 877197 FPPRQNAKDKIVER-CALCHBBNSA-N 396.560 4.689 0 40 GJAB C[C@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)C[C@H](C)O1 1447534 ROEFXBGBQFYOFH-ROUUACIJSA-N 384.483 4.701 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(Br)c1 2636331 PICGDVKFMGLHIB-UHFFFAOYSA-N 376.275 4.712 0 40 GJAB Nc1cc(Cl)ccc1C(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 3275727 HSHWCFDVLAFTCT-UHFFFAOYSA-N 392.927 4.573 0 40 GJAB Cc1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 3332669 TVJHAEFSNKPDRC-JGVFFNPUSA-N 376.334 4.511 0 40 GJAB COc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1Cl 3421640 BWSBWHRMIRLKRK-UHFFFAOYSA-N 394.233 4.888 0 40 GJAB COc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4088728 SUZGXFWKHWZUFK-UHFFFAOYSA-N 385.876 4.533 0 40 GJAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 4163058 ZZMDCGIDRVEUOO-SPWGLZBTSA-N 385.847 4.818 0 40 GJAB CCC(=O)Oc1ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc2c1 4339941 YBERDALNEDTYOT-UHFFFAOYSA-N 396.782 4.535 0 40 GJAB biogenic Cc1[nH]c(SCC(=O)N[C@H]2CCCc3ccccc32)nc1Cc1ccccc1 4485561 IYXNFSBFFUGBNW-FQEVSTJZSA-N 391.540 4.595 0 40 GJAB CCN(CC)CCN(C(=O)c1cccc(Cl)c1)c1nc2ccccc2s1 4585302 JMYULSXBORPAGU-UHFFFAOYSA-N 387.936 4.938 0 40 GJAB CC(C)CN1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1cccc(Cl)c1 4795190 MUKXQONWWLPCOU-CYBMUJFWSA-N 387.958 4.658 0 40 GJAB Cc1cc(NC(=O)Nc2ccc(F)cc2)c(=O)n(Cc2ccccc2Cl)c1 5000870 JMSZJLBICAUTDX-UHFFFAOYSA-N 385.826 4.642 0 40 GJAB CN(Cc1ccco1)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 5242999 QMOYGUUNYWYZSG-UHFFFAOYSA-N 389.480 4.641 0 40 GJAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc(SC)ccc1Cl 5246220 GFUYGDFLEKIVRW-UHFFFAOYSA-N 389.904 4.748 0 40 GJAB COc1cc(NC(=O)Cc2cccc3ccccc23)ccc1N1CCCCC1=O 5441533 QIVQFZCQZMSNSL-UHFFFAOYSA-N 388.467 4.547 0 40 GJAB CCc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 6084139 TYPVXFVNRQSYDZ-GFCCVEGCSA-N 396.270 4.505 0 40 GJAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccs1 6356093 MJPPHXOSDFRKRH-VSMYLPJWSA-N 390.306 4.616 0 40 GJAB COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 6623897 USILTYLZQLTPCC-UHFFFAOYSA-N 391.423 4.654 0 40 GJAB biogenic O=C(CSCCOc1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 6787449 PYZGCHAEWNPAMJ-IBGZPJMESA-N 375.921 4.646 0 40 GJAB Cc1cc2ncn(Cc3nnc(-c4ccc(Br)s4)o3)c2cc1C 6821117 OUMPXYJMFDGNDL-UHFFFAOYSA-N 389.278 4.575 0 40 GJAB CCOC(=O)c1csc(-n2nc(/C=C/c3ccccc3)cc2C(F)(F)F)n1 6892125 KJOBXZOOJKOROF-CMDGGOBGSA-N 393.390 4.695 0 40 GJAB Cn1c(S)nnc1-c1sc2cc(C(F)(F)F)cnc2c1-c1ccco1 6896149 HSKSLTVHIJMDHE-UHFFFAOYSA-N 382.392 4.659 0 40 GJAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1cccc(Cl)c1Cl 7990891 RITAYWPIMUYFPV-ZETCQYMHSA-N 389.333 4.539 0 40 GJAB CN(C)CCCN(C(=O)C1CCCCC1)c1nc2c(Cl)cccc2s1 10068055 ZPBNWFFICRWVDE-UHFFFAOYSA-N 379.957 4.815 0 40 GJAB CC(C)N(C(=O)COC(=O)c1ccco1)c1ccc(Nc2ccccc2)cc1 10532286 ZEPKVZLCDXWJOH-UHFFFAOYSA-N 378.428 4.622 0 40 GJAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 10972216 HFYZHRBFATTWOV-UHFFFAOYSA-N 390.842 4.503 0 40 GJAB O=C(CCc1nc2ccccc2[nH]1)N1CCC(c2nc3ccccc3s2)CC1 12601680 BTNNIDCQCSYLOH-UHFFFAOYSA-N 390.512 4.511 0 40 GJAB CC(C)n1ncc2c(C(=O)Nc3ccc(Br)cc3)cc(C3CC3)nc21 12871698 XECCBGQDADAUDW-UHFFFAOYSA-N 399.292 4.904 0 40 GJAB CCOc1ccc2oc(C(=O)N3CCCc4c(C(=O)OC)cccc43)c(C)c2c1 12919274 PQZZFJDOLHGDMN-UHFFFAOYSA-N 393.439 4.520 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCSCc2ccccc2)CC1 13688077 DLAKZUJRUYMXGT-UHFFFAOYSA-N 388.964 4.621 0 40 GJAB Cc1nc(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1ccc(F)cc1 15191429 LBEVQWYAQBPULA-UHFFFAOYSA-N 386.430 4.558 0 40 GJAB CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@H](C(C)C)C[C@@H]12 15210017 GCAXPYWXIWWHHT-HROWZVSTSA-N 386.488 4.852 0 40 GJAB endogenous,in-man CS(=O)(=O)c1ccc(-c2nc3n(c2-c2ccccc2)Cc2ccccc2-3)cc1 16739866 FFEPSZMFYDBQLY-UHFFFAOYSA-N 386.476 4.649 0 40 GJAB Cc1ccc(-c2ccsc2C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 17371325 QVLILMPIUZEZJF-UHFFFAOYSA-N 391.540 4.728 0 40 GJAB COc1ccc(CN2C[C@@H](c3cc(C(F)F)[nH]n3)[C@H](c3ccccc3)C2)cc1 19555686 CMBASWYUTDDPFA-RBUKOAKNSA-N 383.442 4.739 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1c(F)cccc1Cl 20456258 QOLJHLYDBKFWGU-GOSISDBHSA-N 399.890 4.825 0 40 GJAB CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C)c2c[nH]c3ccccc23)cc1 21619983 LLVFOPKVDINRGW-FQEVSTJZSA-N 377.532 4.918 0 40 GJAB CCn1c(SCc2nc(-c3ccccc3)oc2C)nnc1-c1ccncc1 25045990 GACFXSWIWVPBIJ-UHFFFAOYSA-N 377.473 4.616 0 40 GJAB CC(=O)NCc1ccc(-c2nc(Nc3ccc(F)cc3F)sc2C)s1 25063385 OARMBABKQBBDSM-UHFFFAOYSA-N 379.457 4.838 0 40 GJAB NC(=O)c1ccc(CN(C(=O)c2ccc(C3CCCCC3)cc2)C2CC2)cc1 31175514 KACAQMANEGMADZ-UHFFFAOYSA-N 376.500 4.638 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc2C1 34858987 KILPSXUISLGTKP-XMMPIXPASA-N 386.495 4.742 0 40 GJAB Cc1ncc(NC(=O)Cc2ccc(F)cc2)n1-c1nc(-c2cccs2)cs1 35682758 AXTUUWXSJIOLHO-UHFFFAOYSA-N 398.488 4.686 0 40 GJAB COC(=O)c1cccc(CNc2ccc(NC(=O)Nc3ccccc3)cc2)c1 36379693 PAJSJBLTHMYPMY-UHFFFAOYSA-N 375.428 4.729 0 40 GJAB in-vitro CCOc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 37208887 JSZPUCFHNWKMMK-OAQYLSRUSA-N 398.553 4.795 0 40 GJAB COc1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br 40942532 VAARUYGECXZRGV-UHFFFAOYSA-N 378.266 4.599 0 40 GJAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 59500383 YSLRGAYAMFNPGA-AYIBLLACSA-N 393.486 4.956 0 40 GJAB biogenic CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(C)=O 72215292 UTSABZZLJWPEFS-MAUKXSAKSA-N 375.513 4.695 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72349827 FPZSVMIVNYEGLL-OAHLLOKOSA-N 381.476 4.672 0 40 GJAB Brc1csc(-c2noc(CN3CC[C@@H](c4ccccc4)C3)n2)c1 84525551 WCPBJSIIWIUJKN-CYBMUJFWSA-N 390.306 4.550 0 40 GJAB O=C(Cc1csc(-c2ccccc2Cl)n1)NCc1ccnc2ccccc12 84591092 WNLRVHWHKFKTCI-UHFFFAOYSA-N 393.899 4.871 0 40 GJAB Oc1ccc(O)c2c1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100020329 HGWPFZAIXJHLBN-UWVGGRQHSA-N 380.869 4.856 0 40 GJAB CCCOc1c(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cccc1OC 100765910 MMLGORPRSIBPGY-NHCUHLMSSA-N 399.506 4.638 0 40 GJAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@H](c3ccccn3)C2=C(O)C1 102623433 GBUODSHDYJGEIU-LJQANCHMSA-N 387.443 4.819 0 40 GJAB CCOc1cc(C)c([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OCC 222565313 SYEHOGWYUVUIQA-RVHYNSKXSA-N 397.544 4.777 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)ccc1Cl 222853823 ZLKZVXLREFABED-GFCCVEGCSA-N 396.270 4.885 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3)o2)c(OC)c1 224867320 BPPUENLBORUVGX-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB Cc1ccc(C(=O)NCCC2CCCCCC2)c(I)c1 225028340 WWBJVLNOGFIQII-UHFFFAOYSA-N 385.289 4.690 0 40 GJAB O=C(NCCOc1ccccc1Cl)c1cc(Br)ccc1Cl 225074844 NVMFSMDMYGJFBG-UHFFFAOYSA-N 389.076 4.565 0 40 GJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225689119 PZOHHDVUJOBAQP-QFIPXVFZSA-N 378.557 4.577 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCCCC1 225709191 JCGZFCDAZCCAPF-IBGZPJMESA-N 388.552 4.618 0 40 GJAB O=C(Nc1nc2ccccc2s1)[C@@H]1C[C@H]2C[C@H]1[C@@](F)(C(F)(F)F)C2(F)F 254311291 DFAPUXWLYQUGGJ-HZFYHNGZSA-N 394.340 4.797 0 40 GJAB O=C(c1ccc(O)cc1)N1CC[C@@H](Nc2ccccc2)[C@@H](Cc2ccccc2)C1 257297400 RHCQYXCZMICUMO-XUZZJYLKSA-N 386.495 4.578 0 40 GJAB Cc1ccc2c(C)c([C@@H](Nc3cccc(OC(C)C)c3)[C@H](O)[C@H](C)O)oc2c1 257308149 TVPPPNABIBJHIR-WQTXXOFMSA-N 383.488 4.732 0 40 GJAB CC(C)(C)[C@H](NC(=O)c1ccc(C(F)(F)F)c(O)n1)c1ccc(F)cc1F 612318430 IFHPXVQMHFLPSJ-CQSZACIVSA-N 388.336 4.601 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccccc4)n3c2c1C 903117 QRYMMSWRTCFHHF-UHFFFAOYSA-N 376.485 4.539 0 40 GJAB COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1 1013797 SLVQIXLOABMZKC-CYBMUJFWSA-N 387.501 4.699 0 40 GJAB CCOc1ccc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)cc1 1342916 IHEGCMHGFMEWHA-UHFFFAOYSA-N 381.501 4.883 0 40 GJAB COc1cccc(CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)c1 1372319 NIOXYOPTONMUSI-UHFFFAOYSA-N 396.541 4.827 0 40 GJAB Cc1cc(C)c(CSC(C)(C)CN2C(=O)Cc3ccccc3C2=O)c(C)c1 1392502 LQTOBCGGBZEQFE-UHFFFAOYSA-N 381.541 4.849 0 40 GJAB Cc1cccc(-n2nnnc2S[C@@H](C(=O)c2ccccc2)c2ccccc2)c1 3301305 RPQRTDQRDGQPEI-OAQYLSRUSA-N 386.480 4.687 0 40 GJAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cncc(Br)c1 3422838 OZHWSOKNZZTEJV-UHFFFAOYSA-N 395.300 4.796 0 40 GJAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(Br)s1 4070841 CMZAIUNPUAUUJK-UHFFFAOYSA-N 391.315 4.985 0 40 GJAB COc1ccc(C)c2sc(N3CCN(c4nc5ccccc5s4)CC3)nc12 4137890 UUPNSWMGBZFNNA-UHFFFAOYSA-N 396.541 4.550 0 40 GJAB COCCCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 4169288 YWYIHQHMVLSXAC-UHFFFAOYSA-N 396.560 4.966 0 40 GJAB CC(=O)Nc1sc2c(c1[C@@H](c1cccnc1)N1CCC(C)CC1)CCCC2 4193661 STHUUBPFGZWLOV-OAQYLSRUSA-N 383.561 4.802 0 40 GJAB CC1(C)N=C(SCC(=O)Nc2cccc(F)c2)C(c2ccc(Cl)cc2)=N1 4890948 NSIOXFBTVHSULK-UHFFFAOYSA-N 389.883 4.788 0 40 GJAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(F)cc2)o1 5047330 HNAYPSAFINQZEF-AWEZNQCLSA-N 381.473 4.723 0 40 GJAB COc1ccc(-c2c(NC(=O)Cc3cccs3)oc3ccccc3c2=O)cc1 5245114 NAGWUYNBVFWBDA-UHFFFAOYSA-N 391.448 4.711 0 40 GJAB CCc1ccc2[nH]c3nc(SCC(=O)c4c[nH]c5ccccc45)nnc3c2c1 5444982 MBPGUTSZISSDNH-UHFFFAOYSA-N 387.468 4.525 0 40 GJAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)cc1Cl 6321171 XONOSUDAIYNMFS-UHFFFAOYSA-N 379.859 4.567 0 40 GJAB Cc1cc(C(=O)CSc2ncnc3ccccc23)c(C)n1CC(F)(F)F 6587894 YWQOCMWKIXUNOG-UHFFFAOYSA-N 379.407 4.585 0 40 GJAB COc1cccc(-n2cnnc2SCCOc2cc(Cl)ccc2Cl)c1 6832166 COYZZXXIJLXEDV-UHFFFAOYSA-N 396.299 4.754 0 40 GJAB CCOc1ccc(C(=O)CN(C2=NCCCS2)c2cc(C)ccc2C)cc1 6870302 UWCWTSWVNFXBEM-UHFFFAOYSA-N 382.529 4.884 0 40 GJAB CN(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 6871431 QTPZQCVEIJJWKA-UHFFFAOYSA-N 391.906 4.714 0 40 GJAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc(Cl)cc1 7763834 FSTVOBVCVRZUEN-UHFFFAOYSA-N 389.933 4.894 0 40 GJAB C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 8394749 JKHYYHCSXZYXPE-NSHDSACASA-N 377.815 4.741 0 40 GJAB O=C(N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1)c1ccco1 9607376 NQMMBKZAPSIBRE-QGZVFWFLSA-N 379.803 4.502 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 9834830 QZLSVCZVDXZLAR-NLWGTHIKSA-N 382.504 4.959 0 40 GJAB Cc1cc(C(=O)N2CCC(CCn3ccnc3C)CC2)c2cccc(Cl)c2n1 12147512 AHEGBCUJKOUUCB-UHFFFAOYSA-N 396.922 4.644 0 40 GJAB COc1ccc([C@@H](NC(=O)c2oc3c(C)cccc3c2C)c2ccncc2)cc1 12148472 QPMCCTGCAQBJNA-OAQYLSRUSA-N 386.451 4.973 0 40 GJAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(C)cc2)OC3=O)cc1 12274570 PTFWQVLOWXFXJR-HSZRJFAPSA-N 399.446 4.904 0 40 GJAB O=C(Cn1c(SCc2ccccc2)nc2ccccc21)NCc1cccs1 12520433 PGUBKELCZXCFQJ-UHFFFAOYSA-N 393.537 4.707 0 40 GJAB COc1ccc(OC)c(CSc2nnc(Nc3cccc(F)c3)s2)c1 12762434 MNQARVSBKUBCQT-UHFFFAOYSA-N 377.466 4.730 0 40 GJAB CCOc1cc2c(cc1NC(=O)Cc1coc3cc(CC)ccc13)O[C@H](C)C2 12803477 YLGARRBNYHDJHT-CQSZACIVSA-N 379.456 4.899 0 40 GJAB O=C(CCc1nc2ccccc2[nH]1)N(CCc1ccccc1)Cc1ccccc1 12825197 ZUSVWAUGLZRXGP-UHFFFAOYSA-N 383.495 4.767 0 40 GJAB CC(C)c1cccc2cc3c(nc12)OCCN(CCc1ccc2c(c1)OCO2)C3 13563825 RBHWLPAKDAJPJQ-UHFFFAOYSA-N 390.483 4.524 0 40 GJAB Fc1ccc(CSc2nncn2NCc2ccc(Cl)cc2Cl)cc1 16401891 DDCZLRXLUXYOHR-UHFFFAOYSA-N 383.279 4.760 0 40 GJAB COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1F 18084802 BKNMRMLWBBBYJT-UHFFFAOYSA-N 396.384 4.635 0 40 GJAB COc1cc(Br)c(CN[C@@H]2CCCc3ccccc32)cc1OC 25259679 WAMGSOYNHBWRDX-QGZVFWFLSA-N 376.294 4.634 0 40 GJAB C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1cc(Br)cn1 28224141 SXSSOTSWWPSZOQ-SSDOTTSWSA-N 396.594 4.518 0 40 GJAB O=C(CSc1noc(-c2ccccc2)n1)Nc1c(Cl)cccc1Cl 28527207 DMXGYIJJHJNIKN-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 28993581 RIZFHTRLCPUVGZ-XSFVSMFZSA-N 384.435 4.820 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967657 DIHPGWBKKCDVMS-UHFFFAOYSA-N 384.361 4.554 0 40 GJAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(Cl)c1 32073654 KKQYINVBNMTYLW-MRXNPFEDSA-N 380.835 4.683 0 40 GJAB Cc1nc(COc2ccccc2C(=O)NC23CC4CC(CC(C4)C2)C3)cs1 32743628 QKDMZFTUIFTOMN-UHFFFAOYSA-N 382.529 4.729 0 40 GJAB O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1sc2ccccc2c1Cl 32912072 LDMOHAGCNFOEHS-INIZCTEOSA-N 384.932 4.949 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(Cl)c2)c(OC)c1 40284559 XNMVNNFCXDCCAI-OAHLLOKOSA-N 383.835 4.667 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccccc2)CC1 44855369 HPSABWCOEOQMET-QFIPXVFZSA-N 392.543 4.626 0 40 GJAB O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](COCc2ccccc2)C1 49031507 WVWNIUKZTIYDAF-QGZVFWFLSA-N 377.406 4.774 0 40 GJAB COc1ccc(NC(=O)CN[C@@H](C)c2ccc(-c3ccccc3)cc2)c(OC)c1 57383511 VGRYNSYRMHTZRT-KRWDZBQOSA-N 390.483 4.660 0 40 GJAB CC(C)c1nnc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)s1 61717615 AMQNUUUFQBZWQV-UHFFFAOYSA-N 395.513 4.828 0 40 GJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C)cc3)oc12 67298904 LFDLCNHFXKWCIL-BZZOAKBMSA-N 388.423 4.505 0 40 GJAB Cc1nc(CSc2ccc(C(=O)NCC3(O)CCCCCC3)cc2)cs1 72288706 VWRRDQUVKMJNOD-UHFFFAOYSA-N 390.574 4.559 0 40 GJAB C[C@@H](NC(C)(C)C(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccccc1 141227089 JMOYUXKHSRXQPR-GOSISDBHSA-N 386.495 4.986 0 40 GJAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccccc4)c(C)s3)C(=O)[C@H]12 141682320 ONPLRFHNPZGXQL-LAQRGFTBSA-N 378.497 4.600 0 40 GJAB C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N1C[C@H](C)C[C@@H](C)C1 195530436 MAWWDUVYOJUCIG-MCIONIFRSA-N 393.603 4.648 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cccc(Cl)c1 219292532 CXNWASNTRXFGTR-ACJLOTCBSA-N 389.879 4.535 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 222971593 UTPKTRRMHJKICW-VQTJNVASSA-N 397.515 4.888 0 40 GJAB CC(C)NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224948509 WRXVIYKUSFIHPO-UHFFFAOYSA-N 385.261 4.909 0 40 GJAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC1CCCCCCC1 225498308 SKWDGKRKQVISBW-PGMHBOJBSA-N 380.488 4.588 0 40 GJAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)c1 409095100 BKQYDBJYRTUPHL-CPNJWEJPSA-N 391.858 4.845 0 40 GJAB CCOc1cc(CNc2cc(C)ccc2C)cc(I)c1O 409122394 XWHYJLZNWGPYFH-UHFFFAOYSA-N 397.256 4.624 0 40 GJAB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1 1413910 HHTUFSJVOSXPAH-UHFFFAOYSA-N 391.427 4.761 0 40 GJAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 2658423 JQXFNELVDDJVHG-CYBMUJFWSA-N 397.525 4.888 0 40 GJAB CCOC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc(C)c1C 2761256 YGNSTRBVAXBOML-UHFFFAOYSA-N 383.469 4.712 0 40 GJAB O=C(CCSc1ncnc2sc3c(c12)CCCC3)Nc1ccc(F)cc1 3217107 ZQVBELBHQWBNAX-UHFFFAOYSA-N 387.505 4.830 0 40 GJAB O=C(CCCc1nc2ccccc2s1)OCC(=O)c1ccc(Cl)s1 3318989 YCCCDUGQXHQPDE-UHFFFAOYSA-N 379.890 4.760 0 40 GJAB O=C(CSc1ncnc2sccc12)Nc1nc(-c2ccccc2)cs1 3347040 XONFKKLPBFGSGY-UHFFFAOYSA-N 384.511 4.546 0 40 GJAB O=C1CN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)c2ccccc2N1 3354173 GCPAGORKTRYZBJ-UHFFFAOYSA-N 391.477 4.624 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1 4036418 WSZGBGZQAXFLON-UHFFFAOYSA-N 395.509 4.776 0 40 GJAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccccc3)n3ccccc23)c(C)c1 4585219 LZWBNXQYGGHVDZ-UHFFFAOYSA-N 383.451 4.622 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccccc1 4816837 UISBEHVYNZPYSL-MOPGFXCFSA-N 380.879 4.655 0 40 GJAB CCOc1ccc(NC(=O)c2cc(Br)c(OCC)c(OC)c2)cc1 5558785 JVXCSRLSIQIEKB-UHFFFAOYSA-N 394.265 4.507 0 40 GJAB CCn1c(C)cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1C 8075608 NPOFCQFPHXGCOX-UHFFFAOYSA-N 394.544 4.617 0 40 GJAB CC[C@H](C)NC(=O)Cc1csc(SCc2ccc(Br)cc2)n1 8854523 HUODNWAFSSIFHS-NSHDSACASA-N 399.379 4.655 0 40 GJAB O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H](c1ccc(F)cc1)c1cccs1 9897865 PBYRYXARCVUFOL-LEWSRZTGSA-N 381.428 4.535 0 40 GJAB O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1cccc(Cl)c1 10338779 AGSHVEDLPCIZKZ-UHFFFAOYSA-N 397.261 4.508 0 40 GJAB CC(C)Oc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1 12111456 SCIAXYJACQDWPY-UHFFFAOYSA-N 395.459 4.665 0 40 GJAB O=C(N1CCCC1)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12231672 PLOUPVSFLSESKQ-UHFFFAOYSA-N 385.454 4.594 0 40 GJAB O=c1c2ccccc2[nH]c(=S)n1Cc1ccc(-c2nc3ccccc3s2)o1 12540115 KPOFPJUIUNNGDF-UHFFFAOYSA-N 391.477 4.977 0 40 GJAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(CCc1ccccc1)C3 13682198 TYLWZTHEJADTQE-UHFFFAOYSA-N 383.447 4.855 0 40 GJAB biogenic N=C1S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)N1c1nccs1 15054166 GLYSBDPRLCFIHT-SCWWSTLWSA-N 393.493 4.778 0 40 GJAB O=C(NCCC1=CCCCC1)C1CCN(C(=O)c2cccc3ccccc23)CC1 17335264 IUMRXOXBDIGEGV-UHFFFAOYSA-N 390.527 4.699 0 40 GJAB COC(=O)c1cccc(NC(=O)CCc2sc(C)nc2-c2cccs2)c1 19819526 KDSFDTZBCKXXSO-UHFFFAOYSA-N 386.498 4.538 0 40 GJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 20145267 MIDZYXASPDPTLH-CSKARUKUSA-N 397.814 4.959 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc2ccccc12 20454521 RCLQEGKUZKSNME-HXUWFJFHSA-N 377.440 4.813 0 40 GJAB CCOc1ccc(CCC(=O)N[C@H](CC)c2ccc(OC)cc2)cc1OCC 20483801 AQVKEVDUDWPZQE-HXUWFJFHSA-N 385.504 4.693 0 40 GJAB COc1ccc(Nc2ncccc2C(=O)Nc2ccccc2Br)cc1 22072660 VIJBNOWJRSLDGY-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB Cc1cccc(NC(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)c1 22906868 NYCGWSPCGOUWDX-NRFANRHFSA-N 375.472 4.509 0 40 GJAB COc1ccc(NC(=O)CSCCC23CC4CC(CC(C4)C2)C3)c(OC)c1 24073071 WQQXJJMWEINUCV-UHFFFAOYSA-N 389.561 4.982 0 40 GJAB Cc1cc(C(=O)Nc2ccccc2Cl)c2cnn(Cc3cccs3)c2n1 24754128 JFZPKDVMEVHGQC-UHFFFAOYSA-N 382.876 4.755 0 40 GJAB CC(C)[C@@H](C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1 25918166 LPDYQMOPVQYMMV-IIBYNOLFSA-N 396.922 4.880 0 40 GJAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc2c(c1)OCO2 31182653 XHBSAKHSOIZOIH-UHFFFAOYSA-N 392.358 4.810 0 40 GJAB COc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)c(OC)c1 35040479 SFMNPJFKTWUMIG-CXUHLZMHSA-N 391.901 4.763 0 40 GJAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NC(CO)CO 38146577 QHELXIATGZYOIB-BJCBFJDFSA-N 377.569 4.602 0 40 GJAB Cc1ccccc1CNC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38848726 ZLRWMWOHPXKXBC-UHFFFAOYSA-N 391.342 4.830 0 40 GJAB COc1cccc([C@H]2CCCN2C(=O)c2cc(F)ccc2Br)c1 40034407 JFCWUOCFYQOGHB-QGZVFWFLSA-N 378.241 4.574 0 40 GJAB COc1ccc(NC(=O)NCc2ccccc2OC(F)F)c(C(F)(F)F)c1 40121823 ZZOHDBMSQPFVJH-UHFFFAOYSA-N 390.308 4.637 0 40 GJAB O=C(c1[nH]c2ccccc2c1Cl)N1CCC(c2nc3ccccc3o2)CC1 40144645 ITDPUKZCZDQAMO-UHFFFAOYSA-N 379.847 4.982 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C)c12 40155219 GVQDQWFLMVEXCE-ZDUSSCGKSA-N 386.455 4.649 0 40 GJAB Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 46078652 YWWMIRHJXDKZOJ-UHFFFAOYSA-N 398.506 4.826 0 40 GJAB Cc1ncsc1C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 55649175 ICMCEWUVSUTOTC-UHFFFAOYSA-N 391.924 4.762 0 40 GJAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CCCN(Cc3cn(C)c4ccccc34)C2)n1 72353755 RTDZUBOYRVNSIH-IBGZPJMESA-N 399.542 4.662 0 40 GJAB C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC(c1cccs1)c1cccs1 78974433 FYEXAJTXMVZYBS-ZDUSSCGKSA-N 394.562 4.518 0 40 GJAB FC(F)(F)c1ccc(N2CCN(Cc3ccccc3)CC2)c(Br)c1 95080907 ILWCWMOPYUSICK-UHFFFAOYSA-N 399.254 4.790 0 40 GJAB O=C(c1cc(-c2csc(Cc3ccccc3)n2)n2ccccc12)N1CCCC1 96154869 QUVVAIHEIYHNAS-UHFFFAOYSA-N 387.508 4.890 0 40 GJAB CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)O)c1ccccc1 98088022 ZJBPFSBDUVNICK-JOCHJYFZSA-N 387.435 4.693 0 40 GJAB S=C(Nc1ccccc1Cl)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423310 ZRCNZJCNBFCHDM-ROUUACIJSA-N 385.964 4.822 0 40 GJAB O=C(c1cccc(Br)c1)N1CCS[C@@H](c2ccccc2)CC1 211141501 GZQKHQYYCOASQQ-QGZVFWFLSA-N 376.319 4.770 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1Cl 219516319 GUDMIBUIXANUAJ-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 219603131 HQYGFHJVMJZXOK-SFHVURJKSA-N 391.895 4.610 0 40 GJAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 222739467 DVDXWZSSONQZIM-UHFFFAOYSA-N 396.556 4.883 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2Br)cc1C(C)C 222807921 JLHRYRNHHDMSIH-UHFFFAOYSA-N 398.322 4.690 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)COc1ccccc1C(C)(C)C 223731869 TWMMCBUFLOCEEX-UHFFFAOYSA-N 383.532 4.856 0 40 GJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1C 224262613 OAZCTWFRLYUPPS-NHCUHLMSSA-N 376.529 4.522 0 40 GJAB CCOc1ccc(-c2cnc(CCC(=O)NCc3ccccc3Cl)o2)cc1 224855593 IUGSMGLDHKEAQC-UHFFFAOYSA-N 384.863 4.643 0 40 GJAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccccc1 225073234 JOWSLLGSGDTNSF-NRFANRHFSA-N 398.572 4.502 0 40 GJAB Cc1ccc(N(C)CCCNC(=O)c2cc(Br)ccc2Cl)cc1 225075878 GYAXRZWSVMLJDW-UHFFFAOYSA-N 395.728 4.667 0 40 GJAB O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccnc(-c2ccsc2)c1 225756868 FQRANLZPPYXYJR-UHFFFAOYSA-N 376.403 4.688 0 40 GJAB CCOCCOc1ncc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C 225866647 RZVLTBCAYBQCHS-UHFFFAOYSA-N 396.531 4.954 0 40 GJAB CCc1cc(Br)cc(CC)c1NC(=O)c1c(OC)cccc1OC 226093392 AFTDNZWDNBLOCS-UHFFFAOYSA-N 392.293 4.843 0 40 GJAB O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CC[C@H](n2cc(C3CC3)nn2)C1 390827514 YZOJWMAUCGZPDS-FQEVSTJZSA-N 392.890 4.563 0 40 GJAB CCOc1cccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 408726390 SLUUTBZOELVETH-GDNBJRDFSA-N 375.833 4.685 0 40 GJAB O=C(c1ccc(F)c(Cl)c1)N1CC[C@@H](c2cccc(Br)c2)C1 1583189298 WDYFYFAQTYXWKR-CYBMUJFWSA-N 382.660 4.871 0 40 GJAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2)n1CC 650424 OHWKJVCQPWCNNB-UHFFFAOYSA-N 394.544 4.821 0 40 GJAB O=C(Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 823228 MYWTWLBYLJADQM-UHFFFAOYSA-N 395.256 4.954 0 40 GJAB Cc1ccc(-c2c(NC(=O)C(C)C)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2430240 WRSFUTMXADSCHT-UHFFFAOYSA-N 389.499 4.728 0 40 GJAB Fc1ccccc1-n1c(SCCOc2ccccc2)nnc1-c1cccnc1 2615887 XXNASOASNOFUGO-UHFFFAOYSA-N 392.459 4.640 0 40 GJAB O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)C1CC1 4176192 ZDJNCNNEIVEJFU-UHFFFAOYSA-N 377.469 4.760 0 40 GJAB COCCOC(=O)c1c(C)n(-c2ccc(F)cc2)c2c1cc(O)c1ccccc12 4708668 IUCLDLJUUFXUDT-UHFFFAOYSA-N 393.414 4.740 0 40 GJAB Cc1ccc(CNC(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)cc1 4744314 DEKPZUQEKSLESY-UHFFFAOYSA-N 389.451 4.632 0 40 GJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1cc(C)ccc1OC 4849346 CPXLULRBOAEBFH-UHFFFAOYSA-N 396.512 4.854 0 40 GJAB COc1ccc2c(c1)CCc1c(C(=O)Nc3cccc(C(F)(F)F)c3)noc1-2 4881376 MWWUIRNROGJNQP-UHFFFAOYSA-N 388.345 4.720 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccco1 4886327 HKKNNABIIQJWPY-GOOCMWNKSA-N 393.409 4.616 0 40 GJAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1cccc(Cl)c1Cl 5714859 XGQTXJBJHOXDDV-UHFFFAOYSA-N 388.250 4.871 0 40 GJAB Cc1ccc(C)c(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c1 6587431 LYEJEQYHDLVMIA-UHFFFAOYSA-N 387.435 4.723 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c(C)c1 7928029 WFICHOUWUUNQFB-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(C)c(C)c2)c1 8476943 KRDIIVPYRFKFKG-UHFFFAOYSA-N 396.494 4.790 0 40 GJAB CCc1nnc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)oc2C)s1 8994169 VCCBLNVXYJDQFO-UHFFFAOYSA-N 381.379 4.940 0 40 GJAB O=Cc1ccccc1OCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 9764510 FMBYWAIUWOKIMV-UHFFFAOYSA-N 381.815 4.962 0 40 GJAB O[C@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1 12292153 JFZDDZLIKOZMOM-XMMPIXPASA-N 391.486 4.510 0 40 GJAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@@H](c1ccc(F)cc1F)O2)CCC3 12321404 OLKLOTDCTCJTAB-KRWDZBQOSA-N 382.362 4.575 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3cccs3)c2n1 12637651 CSUYLULKQOVZPC-UHFFFAOYSA-N 381.284 4.607 0 40 GJAB CSCc1nnc(SCC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)o1 12868184 KDELWCXPKFAUQY-GOSISDBHSA-N 393.578 4.662 0 40 GJAB CCOc1ccc(Oc2ccc(NC(=O)CCCCCNC(C)=O)cc2)cc1 12919229 BGNOCRMGDJFPAH-UHFFFAOYSA-N 384.476 4.513 0 40 GJAB COc1ccc(NC(=O)c2ccc(CSC(F)F)o2)cc1OC(F)F 12931169 KLQMYPNPNWAOLP-UHFFFAOYSA-N 379.331 4.598 0 40 GJAB CS(=O)(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 13005539 ZSLCSUOITMISJV-HXUWFJFHSA-N 397.521 4.562 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13685431 RIEBTQISQCVLCW-DLBZAZTESA-N 390.483 4.774 0 40 GJAB O=c1c(-c2ccc(Cl)cc2)coc2c3c(ccc12)OCN(c1cccnc1)C3 13723487 MXCLYZVKQPUNCZ-UHFFFAOYSA-N 390.826 4.865 0 40 GJAB CC(=O)c1ccc(OCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 14247977 AQUZUHOQFJKQCP-QHCPKHFHSA-N 391.492 4.504 0 40 GJAB O=C(Nc1ccc2c(c1)COc1ccccc1O2)C(=O)c1c[nH]c2ccccc12 15108551 BHALWUUWDWWYHB-UHFFFAOYSA-N 384.391 4.674 0 40 GJAB O=C(NCc1c(-c2ccccc2)nc2n1CCS2)c1cccc2ccccc12 17191514 KTXWHIHPFUVOMA-UHFFFAOYSA-N 385.492 4.739 0 40 GJAB COc1cc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cc(OC)c1 19559853 WXANWRUZVMSZNJ-IBGZPJMESA-N 388.558 4.912 0 40 GJAB COc1cccc(-c2nc3cc(NC(=O)COc4ccccc4F)ccc3o2)c1 21579524 RNBMIPKDMRVULY-UHFFFAOYSA-N 392.386 4.660 0 40 GJAB CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)c1 24924526 XBVYVSVXJHCZBB-UHFFFAOYSA-N 389.883 4.909 0 40 GJAB Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCCc4ccccc43)c12 32855966 PVPMAAFPOUBXNQ-UHFFFAOYSA-N 375.453 4.853 0 40 GJAB CN(C)[C@@H](CNC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1ccccc1 32989053 MDHLUBNTAANHOA-QFIPXVFZSA-N 382.548 4.562 0 40 GJAB O=C(Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1)C1CCCCC1 36359119 LDJNTPXEHZPQEG-UHFFFAOYSA-N 388.515 4.965 0 40 GJAB O=C(NC[C@@H]1CCCc2ccccc21)Nc1ccc(NC(=O)c2ccco2)cc1 43974802 COPZCPSSNWLEJZ-KRWDZBQOSA-N 389.455 4.774 0 40 GJAB CCCNC(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1Cl 56150623 JZZGCDMCHLQISU-UHFFFAOYSA-N 384.785 4.751 0 40 GJAB O=C(Nc1cccc2c1CCCC2)c1cc(-c2ccc(Br)cc2)[nH]n1 57477010 LWFLBNAXIBFFFW-UHFFFAOYSA-N 396.288 4.970 0 40 GJAB NC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 72352454 VEKXVWZOXNJZCY-QGZVFWFLSA-N 387.508 4.538 0 40 GJAB CC(C)c1nc([C@@H](C)Nc2ccc(F)cc2S(=O)(=O)C(F)(F)F)cs1 84630946 FHXQXIXMJBBNST-SECBINFHSA-N 396.431 4.872 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)NCc1cccs1 90593326 LVZOIFSNVIXCHX-UHFFFAOYSA-N 377.922 4.833 0 40 GJAB COc1cccc2cc(C(=O)NCc3ccc([C@H](O)c4cccs4)s3)oc12 90613626 JVTYHIDBFZYZNI-GOSISDBHSA-N 399.493 4.576 0 40 GJAB COc1ccc(OC)c(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc4ccccc4c23)c1 101353040 OAOXWYLAFHSNHX-GAJHUEQPSA-N 390.439 4.627 0 40 GJAB COCCn1c(-c2cccs2)cs/c1=N/c1ccc(OC(F)F)cc1 105830718 PYBXKCRYRLPDIK-LVZFUZTISA-N 382.457 4.758 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1C 219041461 ZICKWJQUFQLUKF-MRXNPFEDSA-N 377.440 4.731 0 40 GJAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)c1ccc(OC)c(OC)c1 219303510 STGBFMCWHJIHQL-MJGOQNOKSA-N 385.504 4.664 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3)CCCC1)CC(C)(C)O2 222989916 AZXSZWBNUGGGFH-HXUWFJFHSA-N 379.500 4.926 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2C)cc1 223901367 TYEVYLUSHOQBOO-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB COc1cccc(OCc2cc(C(=O)NCc3ccc(C)cc3)ccc2OC)c1 224250165 HTDCOMHXNONCEW-UHFFFAOYSA-N 391.467 4.521 0 40 GJAB COc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)cc2C)c(Cl)c1Cl 224626372 NNKGRNHKRYSKDE-UHFFFAOYSA-N 388.316 4.752 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](O)c1csc2ccccc12 225693638 MTVWLKQCZQWVKO-JOCHJYFZSA-N 387.504 4.961 0 40 GJAB COc1c(Br)cc(Br)cc1-c1nc2ccc(N)cc2o1 226237491 SEVJINZIERSZSH-UHFFFAOYSA-N 398.054 4.611 0 40 GJAB O=C(c1cc2ccccc2s1)N1CCC(N2CCc3sccc3C2)CC1 238862701 LAPXFBBGGLNMKF-UHFFFAOYSA-N 382.554 4.626 0 40 GJAB CC(=O)c1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 408571449 BNOQNDXKBHFJKL-ACCUITESSA-N 390.464 4.676 0 40 GJAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)c1 408625468 DOJXHSOTFDAICI-UHFFFAOYSA-N 381.501 4.971 0 40 GJAB Cn1cc(NC(=O)NCc2ccccc2CC(F)(F)F)c(C2CCCCC2)n1 626576071 KEXUTSNLWKGHAS-UHFFFAOYSA-N 394.441 4.894 0 40 GJAB Cc1cccc(C(NC(=O)c2cccc(-n3ccnc3O)c2)c2cccc(C)c2)c1 1566236652 BTTYTKHVPFFKNL-UHFFFAOYSA-N 397.478 4.714 0 40 GJAB Fc1ccc(Cc2nnc3sc(-c4cccc(C(F)(F)F)c4)nn23)cc1 632799 BLFOPSDWACFYQV-UHFFFAOYSA-N 378.354 4.602 0 40 GJAB Cc1sc(NC(=O)c2ccc(Br)cc2)c(C(=O)OC(C)C)c1C 668772 KPQARNBRYJOUHL-UHFFFAOYSA-N 396.306 4.945 0 40 GJAB COc1cccc(C(=O)COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 993030 ZRWWGEHQHORHTC-UHFFFAOYSA-N 395.842 4.863 0 40 GJAB CCCOC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CC[C@@H](C)C2 2093192 OIISENRKAFLXGX-LLVKDONJSA-N 392.908 4.740 0 40 GJAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 2145478 XZWCCCUDGYMPKD-UHFFFAOYSA-N 380.872 4.785 0 40 GJAB O=S(=O)(c1ccc(Oc2ccc3oc4ccccc4c3c2)nc1)N1CCCC1 3444589 XBUPAQKIYWXHCF-UHFFFAOYSA-N 394.452 4.558 0 40 GJAB aggregator O=C1CCCC[C@@H]1Sc1nnc(Cc2cccs2)n1CCc1ccccc1 3504426 HYMVRLWIIVVESI-IBGZPJMESA-N 397.569 4.777 0 40 GJAB Fc1ccc([C@@H]2c3[nH]cnc3CCN2C(=S)Nc2ccccc2Cl)cc1 4033735 HZRGTUBANBKONR-GOSISDBHSA-N 386.883 4.547 0 40 GJAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)c1c[nH]c2ccccc12 4287180 BPAUASZIDULDGH-GFCCVEGCSA-N 396.903 4.980 0 40 GJAB Cc1sc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)nc1-c1ccc(C(C)C)cc1 4651937 HWHYSSATNZEECJ-XDNAFOTISA-N 398.528 4.927 0 40 GJAB CCCC[C@H](CC)CNC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 4681778 BFCFUFWJIBUWMU-FQEVSTJZSA-N 396.531 4.701 0 40 GJAB COc1ccccc1NC(=O)CCCCCCCCCC[C@@H]1COCCO1 4811604 MMTCIGDWHFNIGO-LJQANCHMSA-N 377.525 4.950 0 40 GJAB COc1ccc(NC(=S)N2CCC[C@@H](c3nc4cc(C)c(C)cc4[nH]3)C2)cc1 4858925 NUIWIIHHTIKSFF-MRXNPFEDSA-N 394.544 4.765 0 40 GJAB COc1ccc(-c2ccc(Nc3ccccc3Br)nn2)cc1OC 4859060 DHCFBLBVRDISKP-UHFFFAOYSA-N 386.249 4.667 0 40 GJAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21 5099461 UOLISDWLXHCMJE-UHFFFAOYSA-N 390.405 4.893 0 40 GJAB CSc1nc(SCC(=O)Nc2ccccc2)c2c3c(sc2n1)CCC3 5245926 UQOLRDREBLWVHL-UHFFFAOYSA-N 387.555 4.633 0 40 GJAB CCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 6155798 WZRCVKGTWRSQJB-UHFFFAOYSA-N 390.435 4.801 0 40 GJAB CN1CCN(c2nc(-c3ccccc3)nc3sc(-c4ccccc4)cc23)CC1 6287868 RNAGEBGBNJCNAZ-UHFFFAOYSA-N 386.524 4.777 0 40 GJAB COc1cccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1OC(C)C 6325022 JUWQNMIJABUJEH-OUYOUGTCSA-N 376.522 4.572 0 40 GJAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1C 6356085 UMXRCUDSYUGIAF-AEOXGOBCSA-N 398.304 4.863 0 40 GJAB COc1cc2c(cc1NC(=O)COC(=O)C1CCCCC1)oc1ccccc12 6376622 FAJSZQGXEOKTKU-UHFFFAOYSA-N 381.428 4.657 0 40 GJAB CCOc1ccccc1NC1=NC(=O)/C(=C/c2ccc(Br)o2)S1 6870640 CRZHCIJLGMJJKK-LCYFTJDESA-N 393.262 4.523 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H](C)c3ccncc3)cccc2c1=O 7184551 CUFWCRPUJUUZEE-INIZCTEOSA-N 384.435 4.654 0 40 GJAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)o1 7196057 GKWFCLVFOJIJKO-UHFFFAOYSA-N 399.394 4.594 0 40 GJAB CCc1nnc(S/C(=C\c2c(OC(C)C)ccc3ccccc23)C(=O)O)o1 7603402 OIRWUYOOEPPUAS-BOPFTXTBSA-N 384.457 4.790 0 40 GJAB CN(Cc1cccs1)C(=O)CSc1nc2ccccc2n1-c1ccccc1 7706544 BLLBRLWGAWIFLR-UHFFFAOYSA-N 393.537 4.838 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc(-c3ccc(Cl)cc3)no2)c1 7718684 HMGMZIMNUUNTFO-GOSISDBHSA-N 399.878 4.744 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(C)c(C)cc23)c(OC)c1 7740801 NTLMGFMWYHPHCF-NRFANRHFSA-N 393.483 4.764 0 40 GJAB CCc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C(C(=O)OC)=C2C)cc1 8085599 POAMKVAWZNXGPO-UYRXBGFRSA-N 381.859 4.780 0 40 GJAB O=C(CSc1ccccn1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 8213196 UXORNEHXDNTIEZ-UHFFFAOYSA-N 397.887 4.718 0 40 GJAB COc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cccc(C)c1 9358804 KIOFWHORUSFMJA-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N2CCc3sccc3[C@H]2C)c1 10218030 VTANBPPOXHQVCE-CQSZACIVSA-N 382.485 4.691 0 40 GJAB Cc1ccc(F)cc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 10511610 FLFQTEGRUJYVHP-UHFFFAOYSA-N 378.407 4.972 0 40 GJAB CCOc1cc2c(cc1NC(=O)COc1cc(C)ccc1C(C)C)O[C@H](C)C2 12904035 ZHLUYADAQOYVAJ-MRXNPFEDSA-N 383.488 4.858 0 40 GJAB CCCCc1ccc(-n2c([C@H]3C[C@@H]3C)nc3cc(OC)c(OC)cc3c2=O)cc1 12950255 XNAKTJWPYDUPDP-YJBOKZPZSA-N 392.499 4.869 0 40 GJAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1C 12979139 YWALXHBJCLXJEA-IBGZPJMESA-N 375.490 4.572 0 40 GJAB CC(C)c1ccc([C@H]2CC(=O)c3cnc4[nH]n(-c5ccccc5)c(=O)c4c3C2)cc1 14163903 ILZOXXQMTJLPNB-GOSISDBHSA-N 397.478 4.750 0 40 GJAB COc1ccc(C)cc1[C@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 14701581 OJBKOVXFEFJFRI-AWEZNQCLSA-N 383.879 4.642 0 40 GJAB COc1cc(NC(=S)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC 16213325 DOQNGWUECCBOHP-UHFFFAOYSA-N 387.288 4.828 0 40 GJAB CCCn1nc(NC(=O)c2ccc(Cl)cc2)c2cc3cc(OC)ccc3nc21 17207544 KVAQMROPHHVHLK-UHFFFAOYSA-N 394.862 4.909 0 40 GJAB CN(C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)C1CCCCC1 17357052 UWAKEGABMDOWMH-WUKNDPDISA-N 398.528 4.504 0 40 GJAB O=C(Cc1noc2ccccc12)N[C@H](c1ccccc1)c1ccc(Cl)cc1 19206593 LKIGSORSVYPZHS-JOCHJYFZSA-N 376.843 4.930 0 40 GJAB FC(F)(F)c1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCNC3)n2)c1 19330812 LLTKCVFXIMGRBO-OAHLLOKOSA-N 399.420 4.768 0 40 GJAB CCOc1ccc([C@H]2CCCN2C(=O)c2[nH]c3ccccc3c2NC(C)=O)cc1 19717731 IQBUEAXWULIEII-HXUWFJFHSA-N 391.471 4.502 0 40 GJAB CCCc1nnc(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n1CC 20034010 HXFVQSHCHAFZCK-UHFFFAOYSA-N 385.537 4.890 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1OCC 20488592 IDZGHZIFVMBDEU-LJQANCHMSA-N 385.504 4.575 0 40 GJAB CCCCOc1cccc([C@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)c1 20672433 ROENGPOPIWRXFN-NRFANRHFSA-N 391.471 4.677 0 40 GJAB O=C(NCc1ccccc1)c1cccnc1Nc1ccccc1Br 22071982 OYPDRENJFHCCIC-UHFFFAOYSA-N 382.261 4.518 0 40 GJAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Cl 22540380 DLWIUQANIAKOTB-HNNXBMFYSA-N 381.925 4.703 0 40 GJAB CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H]1c1ccccc1OC 22699405 IBWSDDWGQQJSTO-KNQAVFIVSA-N 398.478 4.553 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)c3nc(Cl)ccc3Cl)s2)cs1 28331957 HYXNWJFUOGIPHP-UHFFFAOYSA-N 398.340 4.854 0 40 GJAB COC(=O)c1ccc([C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)o1 31845429 HRSLIHSARVMIBB-SECBINFHSA-N 382.363 4.882 0 40 GJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)NCc3ccc(F)cc3)ccc1O2 36705417 TXTIULSREKJTOM-UHFFFAOYSA-N 391.402 4.814 0 40 GJAB CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1nc2ccccc2s1 40149959 BKRMORPHWUKXEP-UHFFFAOYSA-N 391.500 4.783 0 40 GJAB c1coc([C@H](CNc2nc(-c3ccncc3)nc3ccccc23)N2CCCC2)c1 55397342 BJJZPQPPPYPVAJ-FQEVSTJZSA-N 385.471 4.534 0 40 GJAB Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C1=O 59418697 LDOGPKJCIWJXHU-ZKKFKWFVSA-N 399.877 4.742 0 40 GJAB Cc1ccc(F)c(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c1 67296179 DVYHQRKXKFECQN-NMWGTECJSA-N 379.416 4.822 0 40 GJAB C[C@H]1CN(C(=O)Nc2cccc(Cl)c2Oc2cccnc2)CC(C)(C)O1 68484490 ZBHFGXRLCKIUTB-ZDUSSCGKSA-N 375.856 4.559 0 40 GJAB CN(Cc1ccc(C(=O)O)cc1)C(=O)OCC1c2ccccc2-c2ccccc21 71084638 RCYMITTUGADOGC-UHFFFAOYSA-N 387.435 4.766 0 40 GJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc(-c2ccccc2)no1 71844280 AWJLHNKMHBFDCF-RTWAWAEBSA-N 389.499 4.854 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2SC(C)C)cc1 72217579 BVUFFLCUBVWJMY-LJQANCHMSA-N 390.574 4.806 0 40 GJAB CC[C@@H](NC(=O)CSc1cccc2cccc(Cl)c12)c1noc(C)n1 72309281 WZYSTIZMMSDFBP-CQSZACIVSA-N 375.881 4.544 0 40 GJAB O=C(c1ccncc1)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349182 CZYYAXKJJAADLC-IBGZPJMESA-N 391.902 4.741 0 40 GJAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4csc(C)n4)C3)n2)c1 72350050 SYMKLPBTVRDZHV-LJQANCHMSA-N 391.540 4.771 0 40 GJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2Cc2ccncc2)n1 72376857 HSAXFAZBQFCACX-IBGZPJMESA-N 379.895 4.501 0 40 GJAB Cc1cccc(N(C(=O)c2ccco2)C2CCN(C(=O)OC(C)(C)C)CC2)c1 84210743 NHSFGDIYNGWSIO-UHFFFAOYSA-N 384.476 4.634 0 40 GJAB CC[C@H](c1ccncc1)N(C)Cc1nc(-c2ccc(Br)s2)no1 89947965 ATWXFXVXWCVFSE-GFCCVEGCSA-N 393.310 4.539 0 40 GJAB C[C@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1cnc2ccccc2c1 95942858 NIUJOEQSGWSYCJ-LIRRHRJNSA-N 384.476 4.532 0 40 GJAB CC(=O)c1sc(NC(=O)c2cnc(-c3ccoc3)s2)nc1-c1ccccc1 95960731 WDKYBXLWTWFMOU-UHFFFAOYSA-N 395.465 4.982 0 40 GJAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)C1(c2ccccc2)CCOCC1 96117960 XSLDWKZUZFIZQA-NRFANRHFSA-N 392.474 4.549 0 40 GJAB COc1ccc(N(C(=O)c2ccc(Cl)cc2)C2=C[C@H]3CC[C@H](C2)N3C)cc1 100484250 WANGWYYURVCAGD-RTBURBONSA-N 382.891 4.746 0 40 GJAB COc1cc(F)c(NCc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1F 134136698 KNZHAZYWGHNJLX-UHFFFAOYSA-N 386.185 4.942 0 40 GJAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1 223783950 QQFNAAPYIMWVBO-PMACEKPBSA-N 379.485 4.559 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1C(C)C 223790006 PRQKKZPVTHCVTP-IBGZPJMESA-N 375.896 4.816 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)CCc2ccc3c(c2)OCCO3)c2ccccc2O1 224337058 JQBWJSFBZDIZHQ-LJQANCHMSA-N 395.499 4.589 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 225700194 YCYQJOPKIIPIGY-OAQYLSRUSA-N 390.508 4.858 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](Cc3nccs3)C2)o1 257334122 YEQPNWUJCGXYAT-HNNXBMFYSA-N 382.485 4.556 0 40 GJAB CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)CC)cc3)CC2=O)cc1 408653206 FIFVROFVVUEZJL-KRWDZBQOSA-N 395.499 4.731 0 40 GJAB Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1C1CC1 409133845 UNRKAXZBKSZCJR-UYRXBGFRSA-N 382.485 4.555 0 40 GJAB Cc1nnc(CN(C)C(=O)N[C@H](C)c2ccc(-c3ccc(Cl)cc3)s2)o1 1548453687 BXTKROGMWGGNCH-LLVKDONJSA-N 390.896 4.663 0 40 GJAB O=C(Cc1c(F)cccc1Cl)NC[C@H](O)c1ccc(-c2cccs2)s1 1775966431 DIKFGRRBXSIJPP-AWEZNQCLSA-N 395.908 4.661 0 40 GJAB CC(C)CCNC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 785872 YTBVBKJJZHNJFF-UHFFFAOYSA-N 394.559 4.640 0 40 GJAB O=C(CSc1ncnc2sc3c(c12)CCCC3)N1CCCc2ccccc21 888491 AMGZVHSLFCDSKE-UHFFFAOYSA-N 395.553 4.642 0 40 GJAB O=C(CSc1nnc(COc2cccc3ccccc23)o1)c1ccccc1 899723 RUOKSESWNFIILS-UHFFFAOYSA-N 376.437 4.777 0 40 GJAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccccc1F 902137 YEYWBMRUEJQKFA-UHFFFAOYSA-N 397.353 4.625 0 40 GJAB O=C1N(c2cccc(Cl)c2)[C@@H](c2ccc(Br)cc2)N2CCCN12 1240450 KIPKGCNYOBOCLJ-INIZCTEOSA-N 392.684 4.664 0 40 GJAB CCOC(=O)N1[C@H]2c3ccccc3[C@H](c3ccc(Cl)cc32)N1C(=O)OCC 1867142 YFNSJJUPTSYRJS-MSOLQXFVSA-N 386.835 4.678 0 40 GJAB CCCCSc1nnc2c3c4c(sc3nc(CC)n12)COC(C)(C)C4 2215897 FMGNJLIDTAGUNT-UHFFFAOYSA-N 376.551 4.645 0 40 GJAB COc1ccccc1N1CCN(CCCCOc2cc(C)ccc2Cl)CC1 2286878 YZBLIDNQWDWKHW-UHFFFAOYSA-N 388.939 4.638 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1 2761536 VOMYVBAZWPCJJP-UHFFFAOYSA-N 390.439 4.558 0 40 GJAB O=C(Nc1ccc(Cl)cn1)c1ccn(COc2c(Cl)cccc2Cl)n1 2793865 OMRFWZRAHLUZOZ-UHFFFAOYSA-N 397.649 4.527 0 40 GJAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Oc3c(C)cccc3C)cc2C1=O 3422519 ZPWBRSOHIJDKME-UHFFFAOYSA-N 385.419 4.632 0 40 GJAB COc1ccc(C)cc1NC(=O)CCCOc1cccc(Br)c1 3567202 FKSKYEYLXGCVEX-UHFFFAOYSA-N 378.266 4.564 0 40 GJAB COc1ccc(CN(C(C)=O)C(=O)CC[C@@]2(C(C)C)CCOC(C)(C)C2)cc1 4062870 BFBSQGWEYIKZKQ-HSZRJFAPSA-N 389.536 4.582 0 40 GJAB biogenic COc1ccc(C)c2sc(NC(=O)c3ccc(Br)s3)nc12 4264306 OVJVQRFIBMPGAE-UHFFFAOYSA-N 383.292 4.690 0 40 GJAB O=c1cc(CSc2ccc(Cl)c(C(F)(F)F)c2)nc2sccn12 4801653 NIFZUXSEWSFHDD-UHFFFAOYSA-N 376.812 4.721 0 40 GJAB Cc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)c1 5142173 OJMWABWHTNVCQQ-UHFFFAOYSA-N 377.444 4.986 0 40 GJAB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccc(F)cc1Cl 5263810 FXRNFRZVBPTHGV-LBPRGKRZSA-N 389.883 4.999 0 40 GJAB CCN(CC)CCCNC(=O)C[C@@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1 5347383 KWYSEVUPMHGZGK-YADHBBJMSA-N 388.596 4.522 0 40 GJAB Cc1nc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cs1 5627197 LOEVVUBNGNGYMT-UHFFFAOYSA-N 392.937 4.903 0 40 GJAB Cc1cc(NC(=O)COCc2nc3ccccc3s2)ccc1Br 6789216 JTKVQMKDDXBGMC-UHFFFAOYSA-N 391.290 4.523 0 40 GJAB Cc1ccc(OC(=O)/C=C/c2ccc(Br)o2)c(Br)c1 7813856 JWTNIDHNILAIHB-QPJJXVBHSA-N 386.039 4.732 0 40 GJAB CC[C@H](C(=O)Nc1nnc(COc2cc(C)ccc2C)s1)c1ccccc1 8767914 JOGORMKPBUUECC-KRWDZBQOSA-N 381.501 4.866 0 40 GJAB c1ccc(CNc2nnc(SCc3nc(-c4ccsc4)no3)s2)cc1 10092363 NXQHFCQEXOEFTJ-UHFFFAOYSA-N 387.515 4.554 0 40 GJAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl 10275755 KBTWPNABMVUMDY-CYBMUJFWSA-N 381.925 4.686 0 40 GJAB O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)cc1 10338859 CLNGBGRLDINWNZ-UHFFFAOYSA-N 397.261 4.508 0 40 GJAB O=S(=O)(c1ccccc1)N1CC[C@]2(Cl)CCCC[C@@H]2[C@H]1c1ccccc1 11859834 OMYLBMBYGSSHCP-NJDAHSKKSA-N 389.948 4.990 0 40 GJAB CC1(C)CCc2cc(Cc3nn4c(-c5ccccc5)nnc4s3)ccc2O1 12389824 ZMJSSERLSVETSV-UHFFFAOYSA-N 376.485 4.547 0 40 GJAB C[C@@H](C(=O)Nc1ccc2ccccc2c1)N(C)CCOc1ccc(Cl)cc1 13041617 GNFGWURNDJRGHG-INIZCTEOSA-N 382.891 4.831 0 40 GJAB Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1C 13562383 CVIGJCRAGCWXSN-YDLSIGKMSA-N 388.511 4.936 0 40 GJAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)C(C)(C)C)cc3c2C)c1 15729467 RKWRDJPRNRBQEF-UHFFFAOYSA-N 395.455 4.974 0 40 GJAB biogenic Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 20143630 LKUCPTNRNAFIHK-UHFFFAOYSA-N 399.402 4.719 0 40 GJAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1 20412216 REOJDSIUXMQVFJ-UHFFFAOYSA-N 396.512 4.611 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1OC 20462642 GLAGHKUTSIHDIT-IBGZPJMESA-N 377.937 4.968 0 40 GJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(F)cc1)CO3 20609836 XJBCLHBERGNYGM-UHFFFAOYSA-N 395.474 4.978 0 40 GJAB biogenic Cc1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C 21031638 LWXIFVRGLKIVNA-UHFFFAOYSA-N 377.410 4.572 0 40 GJAB COc1cccc([C@H](Nc2ncc(C(F)(F)F)cc2Cl)c2nccn2C)c1 21901641 MSRUZZNUKAMOLP-HNNXBMFYSA-N 396.800 4.697 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c(Cl)c1 22514272 LFUXBPGJRWSBAB-CQSZACIVSA-N 375.852 4.540 0 40 GJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cn1ncsc1=S 24991012 OQWLQDBXGGSSEK-UHFFFAOYSA-N 393.541 4.616 0 40 GJAB O=C(Cc1nc(CSc2cc(F)ccc2F)cs1)NCc1ccccc1 28189632 OKFHRZZMSQVEFA-UHFFFAOYSA-N 390.480 4.573 0 40 GJAB Cc1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)ccc2[nH]1 31721909 KZCDWKZJPDDOJG-UHFFFAOYSA-N 388.798 4.949 0 40 GJAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)s1 32550021 HIJRGJCPUPIYSA-SFHVURJKSA-N 396.537 4.648 0 40 GJAB COc1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)ccc1C 32900647 IBGVNGAYDNCCSC-UHFFFAOYSA-N 375.428 4.900 0 40 GJAB CCCN(Cc1ccccc1)C(=S)Nc1nc2ccc(C(=O)OC)cc2s1 33651499 HLBMZEOPBLKKPT-UHFFFAOYSA-N 399.541 4.692 0 40 GJAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4cn(C)nc4C)[C@@H](O)[C@@]3(C)CC[C@@H]21 36005146 MEPYNTVXLJQGPP-TWNZBZIZSA-N 392.543 4.648 0 40 GJAB O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 38580517 UUHBRVGMVCJAAL-NRFANRHFSA-N 379.456 4.559 0 40 GJAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)c1OC(C)C 40268971 IRXMBMRNHPVBMP-QGZVFWFLSA-N 395.434 4.931 0 40 GJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Br)c(C)c2)c(C)c1 44883229 IXNDFKIBIWFXRJ-HNNXBMFYSA-N 376.294 4.631 0 40 GJAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(Cc2ccccc2Cl)C1 44932901 FSDONOWWWAUSTK-SIKLNZKXSA-N 382.935 4.746 0 40 GJAB Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Cl)c2ccccc21 59418693 LDOGPKJCIWJXHU-LQDNNDEMSA-N 399.877 4.742 0 40 GJAB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccccn1 67259366 SCOBZQGELXSPOE-UHFFFAOYSA-N 393.899 4.786 0 40 GJAB CCn1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)n1 71785075 AGPNLNWYOUSSOT-XEPISHBBSA-N 378.516 4.519 0 40 GJAB CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(O)CC(C)(C)CC1=N2 102658808 AVOWCVRGALGTEL-QGZVFWFLSA-N 384.505 4.706 0 40 GJAB O=C(Nc1ccccc1-c1cn2ccsc2n1)c1cc(-c2cccs2)[nH]n1 218553060 HEWSVGMEBGGNAG-UHFFFAOYSA-N 391.481 4.767 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccs2)no1 219390789 LOZQGDQPYBHYCZ-ZDUSSCGKSA-N 393.921 4.639 0 40 GJAB COc1cc2ccccc2cc1C(=O)NCCCc1cccc(OC(C)C)c1 219392215 MKQNTMBINLGYJS-UHFFFAOYSA-N 377.484 4.998 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)ccc1Cl 219516043 LUYDGBZSHPIELE-CQSZACIVSA-N 375.852 4.540 0 40 GJAB C[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc2c(c1)CCC2 223203151 QHFFAAOSIHJTOE-GFCCVEGCSA-N 384.328 4.663 0 40 GJAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(OC)cc1 224864414 LRAJHLDNPNCKQF-UHFFFAOYSA-N 393.814 4.583 0 40 GJAB CCOc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1 225298706 VWKPNUVHKDJVBT-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB COc1cc(OC)cc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)c1 226286804 ZMAZMQLYGYIMGC-UHFFFAOYSA-N 386.407 4.672 0 40 GJAB C/C=C1\CN2CC[C@@]34C(=C(/C=N/Nc5ccccc5)[C@H]1C[C@@H]23)Nc1ccccc14 227057248 OJZNJHNPLYYHOW-VINJRHMUSA-N 382.511 4.756 0 40 GJAB O=c1c(Cl)c(NCc2ccccc2)cnn1-c1ccc(Cl)cc1Cl 514075557 ICVUPIXIVOMHAI-UHFFFAOYSA-N 380.662 4.805 0 40 GJAB Cc1cnc(NC2CCN([C@@H](C)c3ccncc3)CC2)nc1-c1ccccc1F 563018935 ZRSLYHSZKITPMQ-KRWDZBQOSA-N 391.494 4.624 0 40 GJAB O=S1(=O)C=C[C@@H](N(c2ccccc2)C(c2ccccc2)c2ccccc2)C1 575421133 NDEALILNQKFCGJ-JOCHJYFZSA-N 375.493 4.593 0 40 GJAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)CC2)c1 585270877 CGFOVYZNEAJDPG-HSZRJFAPSA-N 398.934 4.926 0 40 GJAB O=C(Nc1cccc(OCCF)c1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 626438316 QTMQDVFNYMQDST-HNNXBMFYSA-N 378.394 4.725 0 40 GJAB Cc1nccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4s3)cc2C)n1 680044357 QJIPQAWJFOIOOB-UHFFFAOYSA-N 378.432 4.762 0 40 GJAB CCCc1c(C(=O)Nc2ccc3c(c2)C(=O)CCC3)cnn1-c1ccc(F)cc1 1524921063 MAEARZGGJVYFLE-UHFFFAOYSA-N 391.446 4.735 0 40 GJAB Cc1ccc(CNc2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)cc1 704071 XCTWRZBEUYDFQX-UHFFFAOYSA-N 394.452 4.688 0 40 GJAB CSc1nc(-c2ccccc2)[n+](CCc2ccccc2)c2c1COC(C)(C)C2 1269755 GETWDTQIYJGHQZ-UHFFFAOYSA-N 391.560 4.852 0 40 GJAB Cc1c(CC(=O)O)c(=O)oc2cc(OCc3ccc(Cl)cc3Cl)ccc12 2095585 KPZDXPULUYKPQF-UHFFFAOYSA-N 393.222 4.614 0 40 GJAB biogenic Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(Cl)cc1 2384454 STFIYCCQLSFWGO-UHFFFAOYSA-N 385.707 4.911 0 40 GJAB CCCSc1nc(NC[C@H]2CCCO2)c2c3c(sc2n1)COC(C)(C)C3 2416460 WLHPDAFCTQSOKN-GFCCVEGCSA-N 393.578 4.636 0 40 GJAB CC[C@@H](C)[C@@H]1N=C2c3ccccc3N=C(SCc3cccc(F)c3)N2C1=O 2964550 XCPGOMWJQHEDEH-ACJLOTCBSA-N 381.476 4.764 0 40 GJAB Cc1cc(N(C(=O)c2cc3c(s2)CCC3)C(=O)c2cc3c(s2)CCC3)no1 3180355 UKHPHCANFFQLKZ-UHFFFAOYSA-N 398.509 4.571 0 40 GJAB CCCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 4132659 WXHQUIMSBOJUOL-UHFFFAOYSA-N 385.577 4.564 0 40 GJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(C(F)(F)F)c1 4162621 JSMPKYFRKBAUBY-UHFFFAOYSA-N 377.318 4.881 0 40 GJAB CCc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3C)C3CCCC3)cc2c1 4230976 BHHUUZHQODNWME-UHFFFAOYSA-N 388.511 4.984 0 40 GJAB Cc1ccc(CN2C(=O)[C@@](O)(c3c(C)[nH]c4ccccc34)c3ccccc32)c(C)c1 4554233 HOOMJPBFBOCFHL-SANMLTNESA-N 396.490 4.876 0 40 GJAB O[C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1Br 4625888 PVBRHYMEKRKUEI-HXUWFJFHSA-N 393.284 4.929 0 40 GJAB O=C(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1cccs1 5259256 VGCMVSHHQUCQTC-UHFFFAOYSA-N 378.501 4.838 0 40 GJAB CCCCOc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 5555553 DGTXPAKXYASKNR-UHFFFAOYSA-N 395.524 4.933 0 40 GJAB O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1c(F)c(F)c(F)c(F)c1F 5567334 SDSKVXXMXKPFLJ-UHFFFAOYSA-N 399.102 4.651 0 40 GJAB O=C(CCC(=O)c1cccs1)OCc1ccc(C(=O)Nc2ccccc2)cc1 5787180 DGEAYJZJHCSWKK-UHFFFAOYSA-N 393.464 4.707 0 40 GJAB COc1ccc(C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 6083524 UISYLQRTCVGTNZ-UHFFFAOYSA-N 385.419 4.883 0 40 GJAB CCCOc1ccc(/C=C2\SC(=O)N(CCC)C2=O)cc1Br 6323852 XQSMOESNCKOCHH-UVTDQMKNSA-N 384.295 4.684 0 40 GJAB Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4ccsc4)c(C)c3cc12 6624108 JBGOSALCRHJKPU-UHFFFAOYSA-N 395.480 4.509 0 40 GJAB biogenic Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1C 6846163 VDXMXQDOPJASTP-UHFFFAOYSA-N 375.906 4.693 0 40 GJAB Cc1ccc(-c2cc(C(=O)OCC(=O)N(C(C)C)C(C)C)c3ccccc3n2)o1 6948054 FGECUZXCCPBPSJ-UHFFFAOYSA-N 394.471 4.605 0 40 GJAB O=C1Cc2cc(-c3csc(NC(=O)c4ccc5ccccc5c4)n3)ccc2N1 7036763 VPNXZVZFUVVZKU-UHFFFAOYSA-N 385.448 4.710 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)NC(c1ccccc1)c1ccccc1 8480980 RGTQNZKTJWWSCN-HXUWFJFHSA-N 375.468 4.758 0 40 GJAB C[C@H](NCc1ccc(OCC(=O)NC(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2 8497336 KFQMVQZMIDKOFA-GXSYWRQXSA-N 398.591 4.675 0 40 GJAB O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccc(F)cc1 8902660 IMNIKPXSGNHDOD-UHFFFAOYSA-N 381.388 4.533 0 40 GJAB CCN(Cc1cccs1)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 8919937 ABCNBDKSRBBWEV-UHFFFAOYSA-N 392.937 4.527 0 40 GJAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 8939104 REVSNJZSHFDZAM-NRFANRHFSA-N 398.384 4.826 0 40 GJAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 9112559 PRYHUWDMHNJMPW-VWLOTQADSA-N 387.479 4.655 0 40 GJAB C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(C(F)(F)F)cc1 9484967 ZLNQTXDPPNFBFE-QMMMGPOBSA-N 377.771 4.604 0 40 GJAB CCOc1ccc([C@H](CNC(=O)C2CCC2)c2c[nH]c3ccccc23)cc1OC 9516353 FZPHBQHDCYGLGY-IBGZPJMESA-N 392.499 4.623 0 40 GJAB Cc1nc(COc2cccc(/C=C/C(=O)N3CCc4sccc4C3)c2)cs1 10924891 AKYWKCCEBNWTIF-AATRIKPKSA-N 396.537 4.690 0 40 GJAB O=C(Cn1c(SCc2ccccc2)nc2ccccc21)NCc1ccccc1 12436555 AVXZCGPCPZKXME-UHFFFAOYSA-N 387.508 4.645 0 40 GJAB CCOc1ccccc1CCCNC(=O)COc1ccc(Cl)cc1Cl 13648148 YHSGDBHIEPTEFV-UHFFFAOYSA-N 382.287 4.520 0 40 GJAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 13768963 QAKVVKVPFMQARF-ISKFKSNPSA-N 386.451 4.946 0 40 GJAB CCN(Cc1ccccc1)c1ncnc2c1cnn2-c1cc(Cl)ccc1C 17288174 OZYHODWWBORECF-UHFFFAOYSA-N 377.879 4.804 0 40 GJAB Brc1cccc(CSc2nnc(COc3ccccc3)o2)c1 19929088 AIUGVLGNDXYIFT-UHFFFAOYSA-N 377.263 4.703 0 40 GJAB COc1cccc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 20039746 UDKMUIABDICYAT-MBSDFSHPSA-N 375.468 4.677 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 20412161 LHJUUXSVUUGESE-CXUHLZMHSA-N 379.456 4.837 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2Br)cc1OC 20452328 VQTFEQCFVBVEQT-NSHDSACASA-N 396.306 4.586 0 40 GJAB CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(-c5ccccc5)nc4nc3C2)cc1 20671769 WEPLJMJJHWIUQH-IBGZPJMESA-N 382.467 4.827 0 40 GJAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5cccc(C)c5)c4ncn3n2)cc1 21801152 JICXXISPVIWGKD-UHFFFAOYSA-N 383.455 4.669 0 40 GJAB Cc1ccc(-c2nsc(NC(=O)c3ccc(Br)cc3)n2)s1 21806016 CLBZMRHNASRVPB-UHFFFAOYSA-N 380.292 4.590 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258153 NHALCGCATJNBTL-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB O=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3cccc4ccccc34)c12 22606807 MJCGBIQXCKGNFH-UHFFFAOYSA-N 390.446 4.833 0 40 GJAB COc1cc(Cl)c(NC(=O)c2csc(-c3ccsc3)n2)cc1OC 23054260 QLDVMDWTYQANSK-UHFFFAOYSA-N 380.878 4.795 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 24392926 UAEDVEXBBNEAPB-JOCHJYFZSA-N 392.499 4.801 0 40 GJAB O=C(CCc1ccsc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 24653897 AWLGYOUWIDEPBI-UHFFFAOYSA-N 385.510 4.747 0 40 GJAB COc1ccc2ccc3c(c2c1)CN1CCc2cc(OC)c(OC)cc2[C@H]1C3 31829628 MUSWLDXMCFTNFG-JOCHJYFZSA-N 375.468 4.521 0 40 GJAB Cc1ccc(OC[C@H](O)CN(Cc2ccc(Cl)cc2)Cc2ccco2)cc1 32593454 XTHUJIDPYXCETD-HXUWFJFHSA-N 385.891 4.684 0 40 GJAB Cc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 33569873 MBOSOUPNLQWUSE-QFIPXVFZSA-N 392.480 4.615 0 40 GJAB CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 36562494 GXINYEFWEDBFHZ-HNNXBMFYSA-N 382.685 4.749 0 40 GJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NC2CCCCC2)cc1 39404193 HGMSJXUQVOREBO-UHFFFAOYSA-N 386.473 4.820 0 40 GJAB CSc1cccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)c1 49004613 ILTRMEBZCGQXKC-UHFFFAOYSA-N 378.501 4.640 0 40 GJAB COc1ccccc1[C@H](C)NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 57688681 OTIGPPWIOPFFHT-STQMWFEESA-N 381.303 4.530 0 40 GJAB O=C(CCC1CCCCC1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 58196200 PTOSYEDJRPMWHS-GOSISDBHSA-N 385.483 4.942 0 40 GJAB Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc4ccccc4c3)n2)cc1 67898695 KVDFHCNQWSBYJD-QHCPKHFHSA-N 384.483 4.507 0 40 GJAB biogenic,in-vitro CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3ncccc3c2)cc1Cl 72276945 KLUAQAGJTZFLNZ-UHFFFAOYSA-N 381.863 4.623 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(Cl)c2)cc1 72328993 VMOIVIZGAAPHLC-UHFFFAOYSA-N 383.879 4.839 0 40 GJAB Cc1nnc(-c2cccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c2)o1 78899674 OJKOCSNSJJTVPG-UHFFFAOYSA-N 395.422 4.841 0 40 GJAB CN(C)C(=O)c1ccnc(NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 96005751 KHFLSPZETQBIDO-UHFFFAOYSA-N 389.377 4.674 0 40 GJAB CC(C)c1ccccc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 96820639 CIBSLHBZLZGWII-RCCKNPSSSA-N 399.454 4.693 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)n1cc(C(=O)O)c2ccccc21 216892417 AJYIIKLEAQVHSE-JTQLQIEISA-N 378.211 4.754 0 40 GJAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)CCS1 219290548 ZRIWQWVZDGHRQZ-NRFANRHFSA-N 377.513 4.501 0 40 GJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223075488 GXOZQZKVNIPNLV-GOTSBHOMSA-N 381.516 4.999 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1Cc1ccccc1 223370194 MLSIKUKYPREDJY-ZWKOTPCHSA-N 385.945 4.969 0 40 GJAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ncc(Cl)nc1Cl 223992700 GSNGZFLHOMIMCF-UHFFFAOYSA-N 395.359 4.972 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 224985468 XACFUNVVRGUGTE-CQSZACIVSA-N 388.895 4.664 0 40 GJAB COCCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225283981 BLINZPYJVUOANO-UHFFFAOYSA-N 384.545 4.538 0 40 GJAB Cc1ccc(CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(N)cc2)cc1 225312692 BQLCEBKYZVBKCB-UHFFFAOYSA-N 380.513 4.590 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc(Br)c(Cl)c2)cc1C 225662238 SIOHVQVFTMTMIN-UHFFFAOYSA-N 382.685 4.991 0 40 GJAB Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225755002 SOOWOHNHFQRWAI-KRWDZBQOSA-N 381.545 4.669 0 40 GJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 225846011 ZKGIBEAOCUMQAI-QFIPXVFZSA-N 393.524 4.966 0 40 GJAB Cc1ncc(CN2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)s1 257217225 CYCRFGYPKKJQFF-OAQYLSRUSA-N 399.947 4.664 0 40 GJAB Cc1nc2c(n1C(C)C)CN(C1CCC1)CC21CCN(Cc2ccccc2)CC1 306123428 AMXAZFTUDYGVJD-UHFFFAOYSA-N 392.591 4.674 0 40 GJAB Cc1cccc(C)c1N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 408671928 UNBQHAWJLOESEA-NRFANRHFSA-N 385.463 4.929 0 40 GJAB Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(F)cc3)n2)cc1 408694798 MMUYTPOQMYZHEJ-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB O=C1C[C@H]([C@H]2CC=CCC2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1 524731880 NPFREZSWVDKTAI-GOEBONIOSA-N 388.419 4.915 0 40 GJAB biogenic O=C(O)C1CCC(CC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)CC1 567051664 WZEHTCNLEQEUES-FQVRHNBASA-N 377.484 4.594 0 40 GJAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)Cc2ccc3ccoc3c2)cc1 585091771 LPYKZIVYLNXURL-UHFFFAOYSA-N 399.446 4.903 0 40 GJAB Cc1c(CSC(C)C)cccc1NC(=O)N1CCOc2ccc(O)cc2C1 596766485 RLAHXYMFBNOPNH-UHFFFAOYSA-N 386.517 4.769 0 40 GJAB CC[C@@H](C)c1ccc([C@@H](NC(=O)c2cn3c(n2)COCC3)c2cccs2)cc1 623682690 YZLRFMLJCPSGPE-QVKFZJNVSA-N 395.528 4.508 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CC[C@H](CC)C2 879586 DCQGYUIOPWSFAW-NSHDSACASA-N 392.908 4.740 0 40 GJAB COc1ccc([C@@](O)(CCN2CC3CCC(CC3)C2)Cc2ccccc2)cc1 1615867 OFLCDQBICSKPPZ-XUNZJTMSSA-N 379.544 4.638 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)c1 1807749 YUFGEZGRTNQGFG-UHFFFAOYSA-N 392.451 4.698 0 40 GJAB biogenic O=C1c2ccccc2N(Cc2ccccc2)C(=O)[C@@]1(Cl)Cc1ccccc1 2144977 BPLQLJJOVFZZMU-HSZRJFAPSA-N 375.855 4.636 0 40 GJAB CCCCc1cc(=O)oc2cc(OCC(=O)Nc3c(C)cccc3C)ccc12 3227573 SBGZJXDXXURYBL-UHFFFAOYSA-N 379.456 4.770 0 40 GJAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2Cl)CC1 3241794 WQZZVRCCTWNZSP-UHFFFAOYSA-N 390.914 4.821 0 40 GJAB CCN(CC)S(=O)(=O)c1ccc(Oc2cc(C)ccc2C(C)C)c(N)c1 3887179 ZVZOCLVEXKIWDU-UHFFFAOYSA-N 376.522 4.523 0 40 GJAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)[C@@H]1COc2ccccc2O1 4088546 AWDDFEIZJXDPPB-IBGZPJMESA-N 388.448 4.742 0 40 GJAB Nc1c(C(=O)Nc2ccccc2Cl)c2ccccn2c1C(=O)c1ccccc1 4585242 AAVGSBWWMGQMGN-UHFFFAOYSA-N 389.842 4.658 0 40 GJAB O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1ccccc1 5146480 UJMIPUDVOKNWJT-UHFFFAOYSA-N 381.888 4.575 0 40 GJAB COc1ccc(Cl)cc1-c1n[nH]c(SCCOc2ccc(C)cc2)n1 6064782 CYWCOHMJQJGTNV-UHFFFAOYSA-N 375.881 4.613 0 40 GJAB O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cccc(F)c1 7573183 IVKZBRQNTMWIBJ-UHFFFAOYSA-N 376.435 4.525 0 40 GJAB COc1cccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1OC 7734946 YLDNAPYTHCLNNZ-DEOSSOPVSA-N 389.495 4.851 0 40 GJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1C1CCCC1 7778733 LPWRTHBFQYNZMI-UHFFFAOYSA-N 397.504 4.543 0 40 GJAB O=C(NCc1cn2ccccc2n1)c1ccccc1SCc1ccccc1F 8279184 XUBHTNGAQLXCCV-UHFFFAOYSA-N 391.471 4.696 0 40 GJAB O=C(Nc1ccccc1)Nc1nnc(-c2ccccc2Br)s1 8743456 RQDZWGNISYKITK-UHFFFAOYSA-N 375.251 4.612 0 40 GJAB Cc1nn(CC(C)C)c(Cl)c1CNCc1c(C)nn(-c2ccccc2)c1C 8880150 ZJUSPEXMXGDGEH-UHFFFAOYSA-N 385.943 4.593 0 40 GJAB COc1ccc(C(=O)c2oc3ccc(NC(=O)C(C)C)cc3c2C)cc1OC 9419857 CXBYODQKABLVRL-UHFFFAOYSA-N 381.428 4.584 0 40 GJAB biogenic Oc1nc(SCCc2ccccc2)nc2c1cnn2-c1cccc(Cl)c1 9521437 QAHURPDAASYOJT-UHFFFAOYSA-N 382.876 4.509 0 40 GJAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2cc3ccccc3o2)c1 9954371 AMRGASHUCZGIOS-UHFFFAOYSA-N 386.407 4.946 0 40 GJAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(Cl)cc1Cl 11866538 VKKDQZWCZKPGBU-UHFFFAOYSA-N 389.234 4.850 0 40 GJAB CC(C)(C)Nc1c(C2CCN(C(=O)CC3CCCC3)CC2)nc2ccccn12 12087447 LNXWWWDGMMAXDZ-UHFFFAOYSA-N 382.552 4.831 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)CSc1ccc(Br)cc1C 12753409 YUTOXPUOZBTJAD-ZDUSSCGKSA-N 394.334 4.736 0 40 GJAB COc1cccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)c1 15081516 JUFMDJXWXSJUSD-OAHLLOKOSA-N 379.437 4.596 0 40 GJAB COc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2ccsc2)CC(=O)N3)cc1 15106596 UVNNFNYGPOBHSR-OAHLLOKOSA-N 398.509 4.853 0 40 GJAB Cn1nc([C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)c2cccnc21 19289483 HGYWDJNGHOIFOL-CQSZACIVSA-N 375.303 4.655 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(OC)c(Cl)cc1OC 20482927 QDHVGUSKYCQASM-INIZCTEOSA-N 377.868 4.770 0 40 GJAB O=C(NCc1cc(-c2cc3ccccc3o2)on1)C12CC3CC(CC(C3)C1)C2 22768677 WBNMCUVFMRPBDA-UHFFFAOYSA-N 376.456 4.920 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(COc2ccc(F)cc2F)o1 27983724 NXIIRHXWWFOOOQ-IBGZPJMESA-N 383.394 4.944 0 40 GJAB Cc1oc2cc3oc(=O)c(CCC(=O)N4CCCCCC4)c(C)c3cc2c1C 30819228 JFCVDDJEGQVOLW-UHFFFAOYSA-N 381.472 4.800 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(F)c(F)cc1Cl 31961050 HSXOKCRJCRAYCT-UHFFFAOYSA-N 399.846 4.587 0 40 GJAB CSc1ncccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 32936103 OQAAYMIJUQXPHA-UHFFFAOYSA-N 375.906 4.510 0 40 GJAB O=C(Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F)c1cccnc1 38490120 GMGSJKWPUBDKGS-UHFFFAOYSA-N 385.345 4.605 0 40 GJAB Cc1cc([C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)c(C)s1 40074260 GZKNAVHINVBIHQ-OXJNMPFZSA-N 386.561 4.695 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccc(O)cc2)CC1 40096493 NPXOQRDWZWUXAV-UHFFFAOYSA-N 389.455 4.539 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C 44840213 SQNAUUIMOLLDSK-UHFFFAOYSA-N 376.456 4.629 0 40 GJAB CCOc1ccccc1Nc1c(C(=O)N(CC)CC)cnc2nc(C)ccc12 49005581 MQMFFYXVXPNPBP-UHFFFAOYSA-N 378.476 4.563 0 40 GJAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCc1nc(-c2ccccc2)oc1C 58156992 IINBZCOAKFBYLQ-INIZCTEOSA-N 398.890 4.738 0 40 GJAB CSc1ccc(Cl)c(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)c1 58167089 ZKLJZTCDWXISFI-KRWDZBQOSA-N 388.964 4.704 0 40 GJAB COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1F 61422154 JZTTZYWBMUUCLP-UHFFFAOYSA-N 392.455 4.826 0 40 GJAB O=C(c1cnc2ccc(F)cc2c1NCCCc1ccccc1)N1CCCC1 67288290 QLVWHUJKCFORHA-UHFFFAOYSA-N 377.463 4.655 0 40 GJAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(C)c3)oc12 67298903 XPZFIDZZTGOKOB-BZZOAKBMSA-N 388.423 4.505 0 40 GJAB O=C(O)CC[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 70915563 BLEWZDAVWPLFAA-MRXNPFEDSA-N 379.456 4.512 0 40 GJAB Brc1ccc(C2(c3nnc(-c4ccccc4)o3)CCOCC2)cc1 71889757 OMRHDROLCKFVHA-UHFFFAOYSA-N 385.261 4.596 0 40 GJAB COc1c(C)cccc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72229976 BWJYFZXRBVTREL-FQEVSTJZSA-N 381.859 4.991 0 40 GJAB O=C(Cc1cccnc1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349383 BVLXZNCQPOJUOH-LJQANCHMSA-N 391.902 4.746 0 40 GJAB O=C(c1ccccn1)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357848 XHIKBUJPNVKIBG-OAQYLSRUSA-N 377.875 4.698 0 40 GJAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CCCc1nc2ccccc2s1 79070651 BTKZLXLRQWWJGK-GOSISDBHSA-N 393.556 4.876 0 40 GJAB C[C@H](NC(=O)Nc1cc(C(=O)N(C)C)ccc1F)c1ccc(C(C)(C)C)cc1 95964570 JUZCITXSXCOEAS-AWEZNQCLSA-N 385.483 4.708 0 40 GJAB CC(C)c1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)no1 95978617 PECVSBWTHMVZCH-UHFFFAOYSA-N 393.472 4.574 0 40 GJAB COCc1cc(=O)n2nc(Cc3ccccc3)c(-c3cccc4ccccc34)c2[nH]1 100731967 WHHZHIXSGIAZDS-UHFFFAOYSA-N 395.462 4.580 0 40 GJAB Cc1ncsc1C(=O)OC[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1 107149350 IOQIRLHHICHWAN-ZBFHGGJFSA-N 398.450 4.710 0 40 GJAB Cc1cc(OCC(=O)NCCCc2cccc(OC(C)C)c2)cc(C)c1Cl 218923939 URHOMKBZQWTOPT-UHFFFAOYSA-N 389.923 4.872 0 40 GJAB COC(=O)c1cn(C(=O)CSCc2ccc(Cl)cc2F)c2ccccc12 222646665 RLKMAFPSOKYIJM-UHFFFAOYSA-N 391.851 4.794 0 40 GJAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)cc1 224123998 TWXBUTMHWYFKFG-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NCC(C)C 224844340 LZRFMWFRZXBPHS-QGZVFWFLSA-N 387.351 4.673 0 40 GJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)C1(c2ccccc2)CCCC1 225050276 DUMBBTQOTBSYNQ-UHFFFAOYSA-N 395.890 4.860 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NCCCSC2CCCCC2)c1C 225591318 GTAALDFNXOMMON-UHFFFAOYSA-N 394.606 4.914 0 40 GJAB C[C@@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1 225802733 LNDHMHSITQXTTL-CYBMUJFWSA-N 389.377 4.565 0 40 GJAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C(=O)OC 225852393 MRIYVAAWKPKKMK-UHFFFAOYSA-N 391.508 4.720 0 40 GJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)S1 260772085 MIPCOLXPXWDSPF-ZNZDAUKMSA-N 395.919 4.510 0 40 GJAB Fc1cccc(-c2ccc3nc([C@@H]4CCCN(Cc5ccoc5)C4)nn3c2)c1 306143166 XUYFRFXXMZJFQX-LJQANCHMSA-N 376.435 4.508 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccccc2)cc1 408696999 DMCYDQXEGIBJMH-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408709828 XOYOEBWRFVMHCT-LLVKDONJSA-N 378.822 4.630 0 40 GJAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O 409013004 SFSUMDHYTFWTCP-AUEGDVLESA-N 390.686 4.643 0 40 GJAB O=C(c1cccc(Cl)c1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 519327092 YRRSKWMKARCRJM-INIZCTEOSA-N 388.653 5.000 0 40 GJAB CC(C)(C)C(=O)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262954 RHDVJPKKWSXQQJ-HNNXBMFYSA-N 396.922 4.802 0 40 GJAB COc1cccc(-c2cc3c(=O)n(Cc4ccc(C(C)(C)C)cc4)ccn3n2)c1 1889098173 RBFKFWFQNJDKOE-UHFFFAOYSA-N 387.483 4.517 0 40 GJAB O=C1[C@@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=O)N1c1ccc(Cl)cc1 1443399 NDNKIYNWFNOLOC-GOEBONIOSA-N 379.268 4.576 0 40 GJAB CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 2417463 RPHMJXWONGRKII-ZWKOTPCHSA-N 395.894 4.816 0 40 GJAB CCc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 2605460 NJJPUYKVSZXUAP-UHFFFAOYSA-N 386.521 4.506 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCc3ccco3)cc12 2620328 SAHGGRIFBRKDSM-UHFFFAOYSA-N 385.876 4.631 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3sccc3C(N)=O)c3ccccc3n2)cc1 2629101 GVRPBDKSFCMXRF-UHFFFAOYSA-N 387.464 4.623 0 40 GJAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1 2917630 FJZWEZGUFVGTHH-UHFFFAOYSA-N 375.906 4.898 0 40 GJAB COC[C@@H](C)n1c(SCc2c(F)cccc2Cl)nc2ccccc2c1=O 3290810 ZMMXBBDKBPUIIW-GFCCVEGCSA-N 392.883 4.689 0 40 GJAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2)cc1 4688092 LLYSBVLSMBWAAY-INIZCTEOSA-N 399.560 4.837 0 40 GJAB CCCCCC[C@@H](C)NC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 4724846 YDPGENSYUANQFL-HXUWFJFHSA-N 396.531 4.843 0 40 GJAB CCOc1ccc(S(=O)(=O)Oc2cccc3ccc(C)nc23)c2ccccc12 4832851 BHOVPOOXIGXBIK-UHFFFAOYSA-N 393.464 4.863 0 40 GJAB O=c1c2ccc(Cl)cc2nc(SCc2ccccc2)n1Cc1ccco1 5213129 PPXOMJXCESLUIZ-UHFFFAOYSA-N 382.872 4.984 0 40 GJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(OC)c2)cc1 5256212 AKUAXAUVLRVWNT-QFIPXVFZSA-N 391.471 4.533 0 40 GJAB CCOc1ccccc1NC(=O)COc1ccc(C2SCCS2)cc1 5584286 VHOXGMXLLBPATE-UHFFFAOYSA-N 375.515 4.581 0 40 GJAB Cc1c(NC(=O)c2cc3ccccc3oc2=O)cccc1-c1nc2ncccc2o1 5739538 GTCSMOXCDYZPDJ-UHFFFAOYSA-N 397.390 4.557 0 40 GJAB Cc1ccc(Cl)c(NC(=O)COc2ncnc3sc(C)c(C)c23)c1Cl 5860588 KLZFZILQTZZEEU-UHFFFAOYSA-N 396.299 4.941 0 40 GJAB COc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC 6230779 VDHOGNFEPFZUGI-JQIJEIRASA-N 387.479 4.946 0 40 GJAB COc1ccc(CCCc2nnc(SCc3ccc(F)cc3)n2C)cc1C 6471544 BHACYFSJKQJPET-UHFFFAOYSA-N 385.508 4.739 0 40 GJAB Cc1ccc(COc2ccc([C@@H]3S[C@H](C)C(=O)Nc4[nH]nc(C)c43)cc2)cc1 6678709 JHDKVXCGMPHQTH-QRWLVFNGSA-N 393.512 4.769 0 40 GJAB CC(C)[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)OCCCO2 6789998 HAEFIGLLOOPCLO-NRFANRHFSA-N 391.870 4.696 0 40 GJAB Cc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1NC(=O)c1ccco1 6839761 OKHCLDCYPIIMEL-UHFFFAOYSA-N 395.415 4.841 0 40 GJAB CCCOc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1OCCC 6981199 DESFIPUEUJLFOY-UHFFFAOYSA-N 396.487 4.643 0 40 GJAB CCc1ccc(CC)c(C(=O)CSc2nnc(NCc3ccco3)s2)c1 7161911 ABDJHUWNVBOTQS-UHFFFAOYSA-N 387.530 4.843 0 40 GJAB COc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1 7720526 WTZJKUZKGHLOGI-UHFFFAOYSA-N 391.471 4.720 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc(Cl)nc2ccccc12 7886865 WBSHJWJVSQNCIY-UHFFFAOYSA-N 378.815 4.718 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)c(C)c1 7929254 WBUVNQVEMRKLEW-QFIPXVFZSA-N 399.490 4.853 0 40 GJAB O=C(c1cc2ccccc2cc1O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8038065 WZAJSQYKCFYCRZ-HXUWFJFHSA-N 389.451 4.684 0 40 GJAB CCOc1cc(CNC2CC2)cc(Br)c1OCc1ccc(F)cc1 8253970 KRXWDHDYQRMBAC-UHFFFAOYSA-N 394.284 4.818 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 8434299 VPRGASMYRBOBFD-QZTJIDSGSA-N 396.874 4.580 0 40 GJAB Cc1cc(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)ccc1N1CCCC1 9118417 REFXNZGLDQTPJR-UHFFFAOYSA-N 379.504 4.639 0 40 GJAB COc1ccccc1Nc1nc(C)c2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O 9939266 HDTCMUINNOYVSF-OAHLLOKOSA-N 377.419 4.589 0 40 GJAB CCOC(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1C 10442180 IGYWPFCXBXVVGE-UHFFFAOYSA-N 377.893 4.946 0 40 GJAB O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc(Cl)cc1 10970312 CBVACAZWDRPCKY-UHFFFAOYSA-N 399.903 4.552 0 40 GJAB CC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccs1 11461647 PUVKFOUDFBMXLN-ZDUSSCGKSA-N 390.814 4.626 0 40 GJAB O=C(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 11692663 NHUMAQOZZMGBDU-FQEVSTJZSA-N 384.464 4.683 0 40 GJAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 11694517 DZDXTQCZNFDYGW-CYBMUJFWSA-N 381.432 4.608 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n23)c(C)c1 11907908 FUBSGPVRJYAWOZ-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB O=C(NCCCn1ccc2ccccc21)c1c[nH]nc1-c1ccc(Cl)cc1 12525744 YSCBVWDVZJAXPG-UHFFFAOYSA-N 378.863 4.505 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(N2CCCCC2)cc1 12557744 KAPMNXQAKOVSIO-QHCPKHFHSA-N 389.499 4.580 0 40 GJAB C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)s1)c1ccc(Cl)c(Cl)c1 12744537 GORZOJPJZQMLCF-VIFPVBQESA-N 383.300 4.894 0 40 GJAB CCCOc1ccccc1NC(=O)COc1ccc(Oc2ccccn2)cc1 12755141 RMZPUAWKBWZLPV-UHFFFAOYSA-N 378.428 4.680 0 40 GJAB CC1CCC(N(C)CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)CC1 12811978 OZNGVWDDBQFEBD-LEOMRAHMSA-N 385.533 4.529 0 40 GJAB COc1ccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 12822505 JJJHPBOYUGIZAW-UHFFFAOYSA-N 388.876 4.945 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(OC)c1OC 13646593 NDOIVBICIOERTM-SFKKXYGYSA-N 397.515 4.901 0 40 GJAB Cc1nn(-c2cccc(Cl)c2C)c2c1[C@@H](c1ccc(C(=O)O)cc1)CC(O)=N2 13692319 IBIXKFCRWXQVEU-OAHLLOKOSA-N 395.846 4.964 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(-c2ccoc2C)n1C 14069737 ZXJCFEJOYQZXHL-UHFFFAOYSA-N 399.907 4.823 0 40 GJAB Cc1ccc(OCc2nc(CC(=O)N3c4ccccc4C[C@@H]3C)cs2)cc1 14680454 YGQSKNRSRARHPC-INIZCTEOSA-N 378.497 4.551 0 40 GJAB COc1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)c(OC)cc1Cl 14899879 STJKBBFPDMUIJA-UHFFFAOYSA-N 386.835 4.502 0 40 GJAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1)Nc1ccccc1 15673660 KYLNXZBBOZCOHN-PMACEKPBSA-N 395.547 4.594 0 40 GJAB biogenic,in-vitro CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCC)c1 16806366 OGZGKUMOWFVUQQ-FQEVSTJZSA-N 377.440 4.537 0 40 GJAB CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccc(Cl)cc1 20454186 ZAPJCAUYIOJHSV-HNNXBMFYSA-N 377.937 4.719 0 40 GJAB COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4C)cc3n2)cc1Cl 20610697 COOODTXUTFFQAM-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB O=C(CCCc1cn(CN2CCCCCC2)c2ccccc12)N1CCCCC1 20649360 XPTGOBODSBCXNG-UHFFFAOYSA-N 381.564 4.810 0 40 GJAB O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1cc2ccccc2o1 21681324 AXRSMFRWOHIUJB-UHFFFAOYSA-N 389.480 4.700 0 40 GJAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 23623320 YAWHRAWVHKUUPC-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB CCCCc1ccc(C(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 24773761 VOGQIMXLOYYDSQ-QFIPXVFZSA-N 392.543 4.747 0 40 GJAB O=C(c1ccc2c(c1)OCCCO2)N1CCc2sccc2[C@@H]1c1cccs1 24974603 YHKJGPCYFCZOIT-HXUWFJFHSA-N 397.521 4.759 0 40 GJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC 30856907 ZGZHKLLFYJPKLC-LLVKDONJSA-N 385.407 4.842 0 40 GJAB COc1cc(OC)c(OC)cc1/C=C/C(=O)N[C@H](c1cccs1)C(C)(C)C 40142072 XOZUIYGHJIDIRK-SQUSKLHYSA-N 389.517 4.691 0 40 GJAB CC(C)Oc1ccc(CNC(=O)Nc2cccc(OCc3cscn3)c2)cc1 58426404 KZRBUXYLJOCFMO-UHFFFAOYSA-N 397.500 4.831 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1ccnc(Cl)c1)CC2 72276950 WIIZDNMWEJJIHW-HSZRJFAPSA-N 394.902 4.900 0 40 GJAB O=C(Cc1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359452 ZQXNVHXIPAMAOA-LJQANCHMSA-N 391.902 4.746 0 40 GJAB CN1CCC2(CC1)CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1O2 72394178 ODURIFQANZQLJD-UHFFFAOYSA-N 390.449 4.564 0 40 GJAB CC(C)c1cc(Br)ccc1NC(=O)Cc1cc2ccccc2[nH]c1=O 89893289 ZCACGUICACIGIC-UHFFFAOYSA-N 399.288 4.595 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1C(=O)c1cccs1 95947440 PLFAYIHRZWSIFE-UHFFFAOYSA-N 391.477 4.750 0 40 GJAB COc1ccccc1[C@H]1CC(c2ccco2)=NN1C(=O)c1ccccc1Cl 97165210 SKUOXZFNNIORMN-GOSISDBHSA-N 380.831 4.933 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 103718552 UUUZLSCCLCZQCQ-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB O=C(NC(=S)Nc1ccc(F)c(Cl)c1F)c1ccc2ccccc2c1 206590697 VSHHUHMUUAYTMT-UHFFFAOYSA-N 376.815 4.898 0 40 GJAB COc1ccc2ccccc2c1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222586785 WCFJTWVQURELEN-DLPLYFIVSA-N 375.497 4.833 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(OC(C)C)c(OC)c1 222963649 GEFURNYGVYZVOP-IBGZPJMESA-N 385.504 4.573 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1cccc2ccccc12 223551976 UUFGOBOCEUCINC-QFIPXVFZSA-N 377.484 4.809 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc2ccccc2c1 223627572 WPGIKRKJIOKSAQ-NRFANRHFSA-N 383.875 4.846 0 40 GJAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(C(F)(F)F)cc1 224283114 NYNIWDFDKLDVTE-UHFFFAOYSA-N 377.297 4.679 0 40 GJAB CCCOCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OCC 224707750 JONYXBODYULDFL-UHFFFAOYSA-N 377.868 4.926 0 40 GJAB O=C(CSCc1cccc2ccccc12)NCCOc1ccccc1Cl 224953585 HFFFNFNOZHURSC-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCC2CCCCC2)c1 225206906 NGFQZGOKCGZAQY-ZHZULCJRSA-N 382.529 4.524 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(C(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 225722324 OLNYQVMXWMKTFK-IBGZPJMESA-N 390.574 4.651 0 40 GJAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1cccc(Cl)c1Cl 225734234 GKZDSQFHVZXDBO-UHFFFAOYSA-N 381.646 4.600 0 40 GJAB COc1ccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1 225832001 IISLGZSSWQXGLW-UHFFFAOYSA-N 399.450 4.984 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225842458 RBKJUZRWIHIAQG-JOCHJYFZSA-N 393.524 4.822 0 40 GJAB C[C@@H]1CCCN([C@H](c2cccc(C(F)(F)F)c2)c2nnnn2C2CCCC2)C1 227146542 RVRVUHIVWNXATC-RDTXWAMCSA-N 393.457 4.628 0 40 GJAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 243358255 LYVGRHKLGPVRIB-UHFFFAOYSA-N 390.405 4.505 0 40 GJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C)CC2)n1 257299688 RRBUUIJRULOWSN-HNBVOPMISA-N 392.547 4.708 0 40 GJAB COc1ccc(CN2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)cc1 306133064 MARXUVAKKSIHFW-QFIPXVFZSA-N 384.483 4.742 0 40 GJAB COc1cc(C(=S)NCc2ccc(F)cc2)ccc1OCc1ccccc1 408573702 JXPWNAJCNZHFFC-UHFFFAOYSA-N 381.472 4.879 0 40 GJAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2ccccc2)cc1 408694268 ICQFZRNKWLHZLH-UHFFFAOYSA-N 398.466 4.894 0 40 GJAB COc1cc(C)c(CN2CCC(c3ccc(-c4cn[nH]c4)cn3)CC2)c(C)c1C 585176609 UNQHDMHPVWWKJT-UHFFFAOYSA-N 390.531 4.785 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCc4c(F)cc(F)cc4[C@H]3C)n[nH]2)cc1C 1631635332 ITSXLPLNZWKBMP-CQSZACIVSA-N 381.426 4.731 0 40 GJAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(Cc2cc(F)cc(F)c2)CC1 1663942883 UDOHAPRJLBNNIZ-UHFFFAOYSA-N 399.890 4.570 0 40 GJAB COc1ccc(NC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1 1391999 CMDGHEJUCIPXGC-UHFFFAOYSA-N 395.768 4.805 0 40 GJAB O=c1[nH]c(COc2ccc(Cl)cc2Cl)nc2sc3c(c12)CCCC3 1465835 VPWXQXKTYYEGRA-UHFFFAOYSA-N 381.284 4.749 0 40 GJAB Cn1c(SCC(=O)c2ccccc2Cl)nnc1-c1ccc(Cl)cc1 2453619 WETUIHGLRUPZFJ-UHFFFAOYSA-N 378.284 4.764 0 40 GJAB O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 2602721 UCYKFZZLWMXGLP-RTWAWAEBSA-N 393.826 4.604 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCCCC2 2736393 UAVHTORGOWYKAB-UHFFFAOYSA-N 375.465 4.975 0 40 GJAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 4163059 ZZMDCGIDRVEUOO-HTLFUODRSA-N 385.847 4.818 0 40 GJAB COc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)c1cccs1 4487803 HTSAKJINXGBDMT-UHFFFAOYSA-N 386.860 4.915 0 40 GJAB CCOC(=O)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 4659756 MNBYHJUUEFWXQI-UHFFFAOYSA-N 376.408 4.758 0 40 GJAB O=C(NC1CCCC1)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 4679814 HWPDCCVYMRDBOV-UHFFFAOYSA-N 392.543 4.536 0 40 GJAB Cc1cccc(NC(=O)/C(=C\c2ccc(Cl)cc2)NC(=O)c2ccco2)c1 4837868 QTJTXPLXBNSSCW-QGOAFFKASA-N 380.831 4.651 0 40 GJAB CCc1cc2ccccc2nc1SCC(=O)Nc1cc(OC)cc(OC)c1 4849216 YHDZFJJEMXNDCM-UHFFFAOYSA-N 382.485 4.545 0 40 GJAB c1csc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 5180653 MTMODDHTEBMFBX-KKSFZXQISA-N 376.437 4.719 0 40 GJAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1F 5388587 DGPPCGBIJZDRPZ-UHFFFAOYSA-N 398.507 4.760 0 40 GJAB O=c1c2c(nc3n1CCCS3)c1cc(F)ccc1n2Cc1ccccc1Cl 5451043 YNQZHCHTOALYMS-UHFFFAOYSA-N 399.878 4.688 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2ccccc2Cl)cc1OC 5558852 AMDBUSGDGLYTAE-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c1 6416159 AVGUQGGFGFGESF-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 6880009 OYVMSPVHVLGVDN-CYBMUJFWSA-N 376.909 4.599 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)c3cccc(NC(C)=O)c3)sc2C)cc1 6945615 RUYGBJVRMZJORF-UHFFFAOYSA-N 395.484 4.728 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(N2CCCC2)cc1 7906669 BQWVCIDLJXYXBS-INIZCTEOSA-N 394.544 4.528 0 40 GJAB COc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(F)c(F)c3)cs2)cc1 7986455 PYICUXNHOIBWHY-GFCCVEGCSA-N 388.439 4.517 0 40 GJAB COCCn1c(SC(C)C)nc2scc(-c3ccccc3Cl)c2c1=O 9141095 OSDMGYUEVNTMGQ-UHFFFAOYSA-N 394.949 4.925 0 40 GJAB Cc1cc(C)c(C(=O)[C@H](C)OC(=O)c2cnc3onc(C(C)C)c3c2)cc1C 9255995 UQYFDHSACAUNOX-HNNXBMFYSA-N 380.444 4.700 0 40 GJAB Cc1nc2cc(C(=O)N3CCC(c4ccncc4)CC3)ccc2n1-c1ccccc1 12116016 YWVIJDJHLBZWPP-UHFFFAOYSA-N 396.494 4.749 0 40 GJAB O=S1(=O)CC[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C1 12175022 RDMWWUCZJXVQBZ-JOCHJYFZSA-N 394.561 4.899 0 40 GJAB C[C@H](NCc1cccc(OCc2cccnc2)c1)c1ccc2c(c1)OCCCO2 12238331 ZCUVRABTLQXCGS-SFHVURJKSA-N 390.483 4.673 0 40 GJAB Cn1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(Cl)cc3s2)n1 12444422 OMTKOVXHHHEKAQ-UHFFFAOYSA-N 382.876 4.530 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)n1 12852224 UFAKVACTJAFKJD-UHFFFAOYSA-N 389.333 4.506 0 40 GJAB CCOc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1OCC 13689283 YCBKVLMITIYUPC-UHFFFAOYSA-N 392.455 4.732 0 40 GJAB O=C(/C=C/c1ccccc1)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1 13815762 RXXURPGSOGAPJQ-YSFCOZAMSA-N 379.475 4.734 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 14397178 RDFKSKHTVJWCNE-QGZVFWFLSA-N 394.515 4.626 0 40 GJAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2-c2ccccc2)c1 15643486 RAESRFJFPXLIDN-UHFFFAOYSA-N 385.872 4.663 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 16000919 AOHUUWWKUCVUJQ-UHFFFAOYSA-N 390.483 4.585 0 40 GJAB CC(=O)N1N=C(c2ccc(C)cc2)Sc2c1nc(C1CCCCC1)n2C(C)=O 16807184 FCDDJDYXHXHHDZ-UHFFFAOYSA-N 396.516 4.720 0 40 GJAB COc1ccccc1NC(=O)CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 18030950 PFMKOYOWCGERCV-BAUKFBFWSA-N 378.310 4.758 0 40 GJAB COc1ccc(CC(=O)N(Cc2cccs2)Cc2ccccc2OC)cc1F 18085863 LWMOCWXZHOXAHK-UHFFFAOYSA-N 399.487 4.676 0 40 GJAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)N2CCOCC2)c1C 20192380 AUAJXLSDIXCUHX-FQEVSTJZSA-N 396.512 4.632 0 40 GJAB FC(F)(F)c1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc1 20405605 GWBFJOFWGWCCLO-UHFFFAOYSA-N 376.209 4.734 0 40 GJAB O=C(c1cnccn1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 20989234 HLDIHMXHNUCCPM-UHFFFAOYSA-N 390.443 4.586 0 40 GJAB COc1cc(CN[C@H](C)[C@H](O)c2ccccc2)ccc1OCc1cccs1 22076391 SXHDONGRNUFPEX-ZHRRBRCNSA-N 383.513 4.547 0 40 GJAB CCc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(C)cc2)n2ccccc12 22760712 WXGBNNGWZXWHGG-UHFFFAOYSA-N 397.478 4.876 0 40 GJAB NC(=O)Cc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 24492667 OYNOEWNXHQPYFJ-UHFFFAOYSA-N 398.384 4.653 0 40 GJAB CC(C)(C)c1ccc(OCCCC(=O)NCc2nc(-c3ccccc3)no2)cc1 24976917 RIBXQJFADPNXGJ-UHFFFAOYSA-N 393.487 4.510 0 40 GJAB COc1ccc(CC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 25047852 NTUVBPUEVOUHTK-UHFFFAOYSA-N 375.428 4.520 0 40 GJAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc(N2CCCC2)cc1 30006564 DQIFUFOKXBJEPQ-KRWDZBQOSA-N 377.488 4.665 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)c1C 32931502 YUNCCXYDNCPRBE-UHFFFAOYSA-N 391.471 4.568 0 40 GJAB CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1cc2c(cc1Cl)OCCCO2 40132056 RIDFZCWNBZLWRY-UHFFFAOYSA-N 389.883 4.583 0 40 GJAB Cc1ccc(C)n1-c1nc(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cs1 40132482 QVFMHXRHKSJMRC-AWEZNQCLSA-N 389.471 4.591 0 40 GJAB CC(C)c1noc(CCCC(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)n1 40133011 OIETYJOSMIJIRC-GOSISDBHSA-N 391.515 4.853 0 40 GJAB COc1cc(OC)c2[nH]c(C(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)C3CC3)cc2c1 42058254 MQRWCCUSAATREF-FZKQIMNGSA-N 394.471 4.706 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3OC)no2)cc1 46086614 LOFOFYPKWZFMTK-UHFFFAOYSA-N 396.443 4.790 0 40 GJAB CC(C)(C)C[C@@H](NC(=O)Nc1ccccc1CN1CCOCC1)c1ccccc1 48235273 RQPUJFHPRGCJDY-JOCHJYFZSA-N 395.547 4.818 0 40 GJAB O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412127 FTHXLQGEYYKBNZ-UHFFFAOYSA-N 381.741 4.881 0 40 GJAB Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 57486679 IIDKSRQPOCTECF-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cc1C 63811929 DTRPJNDQNLBZOF-SFHVURJKSA-N 379.485 4.592 0 40 GJAB Cn1ccnc1Sc1ccccc1NC(=O)c1nc(Cl)ccc1Cl 65492030 BZXYVYMSBOZABS-UHFFFAOYSA-N 379.272 4.525 0 40 GJAB O=C(CCCCc1ccc(Br)cc1)NCCSC(F)(F)F 70021173 DKKYBINHYCGQDP-UHFFFAOYSA-N 384.261 4.531 0 40 GJAB Fc1ccc(C2(c3nnc(-c4ccc5ccccc5n4)o3)CCOCC2)cc1 71889743 RHWXYRLRVDOPBN-UHFFFAOYSA-N 375.403 4.520 0 40 GJAB CC[C@@H](NC(=O)c1cc2cc(C)cc(C)c2nc1C)c1c(C)nn(CC)c1C 72399251 CZBONEGRUUJWAP-HXUWFJFHSA-N 378.520 4.874 0 40 GJAB COc1cccc(OCCn2c([C@H](C)N3CCCCC3)nc3ccccc32)c1 82086490 GSKQIHOQOVWBJR-SFHVURJKSA-N 379.504 4.671 0 40 GJAB COc1ccccc1N/C=C1/C(=O)N(c2ccc(C)c(C)c2)C(=O)c2ccccc21 103005145 NDVYGFBYWSNQOF-RCCKNPSSSA-N 398.462 4.952 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 219301876 OVVVIIZVUNGEOA-HXUWFJFHSA-N 383.532 4.917 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)CC1 223223806 GYHRVZLZBHPUIC-IBGZPJMESA-N 376.544 4.573 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1C(C)(C)C 223713890 LHQFKIBQGUOSSF-IBGZPJMESA-N 389.923 4.990 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccccc1CN1CCCCC1 224849982 GTJNQQDFFSZGSP-HSZRJFAPSA-N 394.559 4.763 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccccc3Cl)ccc21 225158164 LCXVELGPVMWEFC-GFCCVEGCSA-N 390.892 4.703 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)c1 225365885 QDLAEZSHGHYPPX-LBPRGKRZSA-N 382.287 4.821 0 40 GJAB Cc1cccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 257281278 OOKAXXKTIMTDSV-HXUWFJFHSA-N 395.890 4.990 0 40 GJAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccccc2Cl)S1 408807556 DGOAEWGGTYVBGT-UHFFFAOYSA-N 380.276 4.765 0 40 GJAB Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 537734657 BLGDMAJGBWLYAI-UHFFFAOYSA-N 379.313 4.979 0 40 GJAB CC(C)c1nccn1CCC(=O)N1CCCCCCCc2ccccc2OCC1 643584212 IQVOZPGTKOSPCK-UHFFFAOYSA-N 397.563 4.811 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2c(F)cccc2F)N1c1ccc(F)cc1 1615156342 JCWJVRSWXLYLSP-OALUTQOASA-N 388.433 4.766 0 40 GJAB CCOC(=O)CSc1nnc(C2CCCCC2)n1-c1cccc(Cl)c1 876414 PNFBLZQCNXTISX-UHFFFAOYSA-N 379.913 4.624 0 40 GJAB Cc1ccc(CN(C[C@H](O)COc2cccc3[nH]cc(C)c23)C(C)(C)C)cc1 2450147 PPLUXYKPQIWXFT-FQEVSTJZSA-N 380.532 4.825 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Br)c(C)c2)cc1 2621485 KJCXOZROGCESGO-UHFFFAOYSA-N 390.277 4.758 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 2661325 ABHPHRRXRIRDTI-NRFANRHFSA-N 396.531 4.694 0 40 GJAB CCOc1ccc(NC(=O)CSc2nccc(-c3ccc(Cl)cc3)n2)cc1 2806390 UPGGUDKXGYCMPA-UHFFFAOYSA-N 399.903 4.927 0 40 GJAB C[C@@H](C(=O)NCc1ccccc1Cl)n1c(C(F)(F)F)nc2ccccc21 4025139 OWNDRCNIVGXIOZ-NSHDSACASA-N 381.785 4.586 0 40 GJAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)N1CCCC1 4588355 FMETUSSVMCACEX-CQSZACIVSA-N 381.476 4.539 0 40 GJAB COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccc(F)cc3)n2)cc1 4757723 YPGPDVHKGYUGNJ-UHFFFAOYSA-N 377.341 4.922 0 40 GJAB aggregator Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1 4816678 NZQBEVHEADFVJJ-WOJBJXKFSA-N 392.890 4.717 0 40 GJAB Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 4857231 ZNKVDBASFUVEAO-FRIKZZABSA-N 379.573 4.867 0 40 GJAB C[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN12 5235442 ILYIPBDYXZTXCT-QFYYESIMSA-N 377.669 4.992 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CC[C@H](C)C2 5475539 UDTXNJOHQBXHHS-ZDUSSCGKSA-N 387.501 4.701 0 40 GJAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(F)cc1F)c1ccccc1 5632548 XPTJBPANXLZPMG-AWEZNQCLSA-N 380.394 4.708 0 40 GJAB CCOc1ccc2nc(NC(=O)CSc3nc4ccc(C)cc4[nH]3)sc2c1 6420032 SSEUEQOLYPDVLX-UHFFFAOYSA-N 398.513 4.611 0 40 GJAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N[C@H]1CCCc2ccccc21 7129983 OCMAFIKYGVCLRV-UZLBHIALSA-N 391.540 4.762 0 40 GJAB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)Nc1c(C)cccc1C 7440374 QITAAKYPHFJENU-UHFFFAOYSA-N 376.456 4.518 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(C(F)(F)F)cc1 7538345 FACRPHXJCVGBGW-GFCCVEGCSA-N 394.418 4.914 0 40 GJAB CCOc1ccc(N2C[C@@H](C(=O)Oc3ccccc3[C@H](C)CC)CC2=O)cc1 7929205 RRUBUQXHTIVJKC-SJORKVTESA-N 381.472 4.557 0 40 GJAB CC[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NCc1ccccc1 8724185 KJFDIXFQAZKAEB-CQSZACIVSA-N 388.842 4.941 0 40 GJAB Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccc(Cl)cc4)nc32)n1 9306354 MUYJPNCSEKMMAT-UHFFFAOYSA-N 388.862 4.709 0 40 GJAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Cl)s1 11027573 NOJOJWVCKWWHDI-UHFFFAOYSA-N 389.933 4.669 0 40 GJAB Cc1cc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)ccc1C(C)C 12577552 XUIYITNMFBUAFA-OAQYLSRUSA-N 377.488 4.737 0 40 GJAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3csc(-c4ccccc4)n3)n2)C1 12789918 SADKVNBGMWLUOE-CQSZACIVSA-N 398.557 4.751 0 40 GJAB C[C@@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl 12818397 KHDYGJPZOLRSLZ-ZMZPIMSZSA-N 381.278 4.803 0 40 GJAB Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccc4ccccc4c3)CC2)c1C 13708734 QIICZFCJJMSFCW-HXUWFJFHSA-N 388.511 4.573 0 40 GJAB CN1C(=O)c2ccccc2N[C@@H]1c1cccc(NC(=O)c2ccccc2Cl)c1 15249747 TXMWMHLBRJMPLQ-FQEVSTJZSA-N 391.858 4.789 0 40 GJAB Cc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)c1 16841199 TVQYPLJHBMZAMI-UHFFFAOYSA-N 392.459 4.575 0 40 GJAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C)nccn3n2)cc1 17051658 BFUWNOHCGCQTAQ-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB CC[C@@H](NC(=O)c1cc2cc(Cl)ccc2nc1C)c1c(C)nn(CC)c1C 19666050 BZTGYIBSFNBYHD-GOSISDBHSA-N 384.911 4.911 0 40 GJAB CC(C)c1ccc([C@H](C)NC(=O)CC2CCN(Cc3ccccn3)CC2)cc1 19748205 MMNVJZPPGAWLHR-IBGZPJMESA-N 379.548 4.685 0 40 GJAB Cc1cccc(Cc2c(C)nc(Nc3nc(C)c4cc(C)cc(C)c4n3)[nH]c2=O)c1 20797955 LRMHAXFTDYRASZ-UHFFFAOYSA-N 399.498 4.590 0 40 GJAB CCCOc1ccccc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 22353873 MGRHQYQWGIDFJL-UHFFFAOYSA-N 382.504 4.532 0 40 GJAB O=C(Nc1cccc(OCc2ccccn2)c1)c1cccc(Br)c1 26254605 ZITDSABATSOSGU-UHFFFAOYSA-N 383.245 4.675 0 40 GJAB O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1coc(Br)c1 30613439 AJIVWOFOGZVKFF-UHFFFAOYSA-N 399.216 4.620 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 30943683 YOUPGUBFZYNQOW-NQIIRXRSSA-N 384.951 4.690 0 40 GJAB CCOc1ccccc1-c1noc(CSCC(=O)Nc2cc(C)ccc2C)n1 31419394 CGJUNVDYCQDUAK-UHFFFAOYSA-N 397.500 4.624 0 40 GJAB C[C@H](NC(=O)c1nc(Cl)ccc1Cl)c1ccc(OC(F)(F)F)cc1 32817078 WIINZHVWFRTMJN-QMMMGPOBSA-N 379.165 4.778 0 40 GJAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc2c(s1)CCCCCC2 32976355 AWMUCXQWWIUCDT-UHFFFAOYSA-N 397.588 4.720 0 40 GJAB C[C@H](NC(=O)c1cc(F)ccc1Br)c1cccc(OC(F)F)c1 36392974 KIQSKSQYPDYAQQ-VIFPVBQESA-N 388.183 4.681 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3nnc(C4CC4)s3)c12 40128854 KYQBAYRDIYQAGV-UHFFFAOYSA-N 398.536 4.599 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 44901895 IKJJZYWAQWCXLI-KUHUBIRLSA-N 388.895 4.664 0 40 GJAB COc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)cc1 49005458 LGRWTGJWMTZDRQ-UHFFFAOYSA-N 390.487 4.563 0 40 GJAB Cc1ccc(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(F)c1 54001739 SUKLFPGZTGZSPV-UHFFFAOYSA-N 375.875 4.574 0 40 GJAB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccccc2OC(F)F)CC1 57427877 HZFNMKZDJSJZKM-UHFFFAOYSA-N 383.435 4.622 0 40 GJAB Cc1ccc(C)c(N(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)C(C)C)c1 58266768 GMQHOXPRQIOQAT-GOSISDBHSA-N 384.545 4.659 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1OC[C@@H]1CCCO1)c1ccc(F)cc1 59417098 SYWDAFOQXFPKFD-HNNXBMFYSA-N 383.341 4.655 0 40 GJAB Cc1c(Cl)cccc1Nc1nnc(SCc2nnc(C3CC3)o2)s1 63535271 KOLNYJRVZFSRQP-UHFFFAOYSA-N 379.898 4.796 0 40 GJAB O=C1C[C@H](C(F)(F)F)c2sc(C(=O)O)c(-c3ccc(Cl)cc3)c2N1 66089638 DNYHBMFFRJRQFS-QMMMGPOBSA-N 375.755 4.755 0 40 GJAB O=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1cc(F)ccc1F 67260757 HIOOJQGAXRKNDH-UHFFFAOYSA-N 387.389 4.643 0 40 GJAB Cc1[nH]c2ccc(C(=O)Nc3ccccc3NC3CCN(C)CC3)cc2c1C 78403345 SUDHXDWXNQOMSL-UHFFFAOYSA-N 376.504 4.543 0 40 GJAB CC1=NN(c2ccc(C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)cc2)CC1 84677911 FSXQMBFTLHJYMA-NRFANRHFSA-N 393.487 4.993 0 40 GJAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(CSc2ccccn2)CC1 90608068 CUGIPRYMBBYHNS-UHFFFAOYSA-N 385.577 4.564 0 40 GJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3[C@H]2CCOC(C)(C)C2)cc1 95472446 VNUMOIOHNUTNGW-YOEHRIQHSA-N 387.505 4.614 0 40 GJAB C[C@@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1C2(c1ccccc1)c1ccccc1 100821484 LJMBTQFWGCRPKW-OFNKIYASSA-N 387.866 4.836 0 40 GJAB COc1ccc(Cl)cc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc(Cl)cc12 101352970 DXEWKCMOLDSIRE-SCLBCKFNSA-N 379.243 4.772 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718484 RIJZLXUGHQHXRA-LLVKDONJSA-N 397.689 4.947 0 40 GJAB CC(=O)Oc1ccc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1 206996634 YHNAWAGTVAZJIR-IBGZPJMESA-N 389.904 4.586 0 40 GJAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc(F)c(F)c1 218903232 ZVHGZGVMXGNKHV-UHFFFAOYSA-N 392.199 4.898 0 40 GJAB CC[C@H](NC(=O)COc1cccc2ccccc12)c1ccc(OC)c(OC)c1 218915848 ZOYXFOJAFGEPLJ-IBGZPJMESA-N 379.456 4.503 0 40 GJAB COc1ccc2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)ccc2c1 223927300 JLIRPGFNNHFUMO-UHFFFAOYSA-N 381.375 4.668 0 40 GJAB Fc1ccc(CCCNC(=S)Nc2ccc(Oc3ccccc3)nc2)cc1 223969901 SBOYLWMIXOQDFJ-UHFFFAOYSA-N 381.476 4.932 0 40 GJAB CC(C)N1N[C@@](Cc2ccccc2)(c2ccc(-c3ccccc3)cc2)NC1=S 225351205 OOFSQIXOUYZGRG-DEOSSOPVSA-N 387.552 4.852 0 40 GJAB S=C(Nc1ccc2c(c1)OCCO2)NC1(c2ccccc2Cl)CCCC1 225857735 TUNMFYDDDVYRIP-UHFFFAOYSA-N 388.920 4.867 0 40 GJAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 260912241 APEXTNAXSUPPOK-VGSWGCGISA-N 396.962 4.918 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1nnc2cc(C)c3cc(C)cc(C)c3n12 903002 DLTHMWQETZXVHI-QGZVFWFLSA-N 396.560 4.691 0 40 GJAB Nc1c(C(=O)Nc2nccs2)sc2nc3c(c(-c4cccs4)c12)CCC3 1772246 WOQNUJLNRCZJJL-UHFFFAOYSA-N 398.538 4.805 0 40 GJAB CCCSc1nc(N[C@H](CC)CO)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2451183 QPGMAKRMYWTZCS-BLVKFPJESA-N 395.594 4.618 0 40 GJAB O=C1S/C(=C\c2ccccc2)C(=O)N1CNc1ccccc1Br 3149850 QZAVZPUPRARYDL-GDNBJRDFSA-N 389.274 4.555 0 40 GJAB COc1ccc(CN(C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)c(OC)c1 3571067 OBBRTXAUUJXHKP-UHFFFAOYSA-N 395.499 4.874 0 40 GJAB CNC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CC[C@@H](C)C2 4326471 FQGOCDZHRYJOBC-CQSZACIVSA-N 392.524 4.567 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@H](CC)C2 4558277 JXICJJGQQREZGP-GFCCVEGCSA-N 375.465 4.831 0 40 GJAB COc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 4578229 OPJZRSZNWRLAGJ-JCMHNJIXSA-N 385.419 4.619 0 40 GJAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 4816546 ZRZDPLORGRRJMZ-RTBURBONSA-N 380.879 4.717 0 40 GJAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(C)cc1C)OCO3 4849538 ZERSFDNWSUOEDT-UHFFFAOYSA-N 394.496 4.874 0 40 GJAB Cc1cccc(-c2c(NC(=O)c3ccccc3F)n(C)c3ccccc3c2=O)c1 5204009 XGACREPCLSXPKN-UHFFFAOYSA-N 386.426 4.905 0 40 GJAB CCn1c(/C=C/c2ccsc2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 5266869 RPNULDBUEIJYDY-ZZXKWVIFSA-N 386.420 4.582 0 40 GJAB COc1ccc(-c2csc(NC(=O)Cc3ccc(C)cc3C)n2)c(OC)c1 5268032 HXAZZZRPXZITLF-UHFFFAOYSA-N 382.485 4.625 0 40 GJAB COc1ccc2ccc(OCC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)cc2c1 5365607 YQCQJDFEYMMJLZ-QFIPXVFZSA-N 393.483 4.707 0 40 GJAB C=C1c2cc3c(cc2CCN1C(=O)c1ccc(Cl)cc1Cl)OCCCO3 6719606 GRWRRHDDDWVIQE-UHFFFAOYSA-N 390.266 4.824 0 40 GJAB C[C@H](c1nc2scc(-c3cccs3)c2c(=O)[nH]1)N1CCc2ccccc21 7503673 SKVKZRVVSAULLA-GFCCVEGCSA-N 379.510 4.837 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3c(Cl)cccc3c2C)c1C 7785187 JLSACMNZZIYWJG-UHFFFAOYSA-N 387.819 4.582 0 40 GJAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 7848243 ARJGCRKIWQYZTR-GFCCVEGCSA-N 392.286 4.559 0 40 GJAB COc1cc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc(OC)c1 8344132 JEKDLPLSKLPDKU-UHFFFAOYSA-N 387.439 4.603 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)CCc3ccsc3)cc2)cc1 8753144 GEHHBEFWNMZSFD-UHFFFAOYSA-N 380.469 4.580 0 40 GJAB COc1cc(OC)c(NC(=O)CCC(=O)c2cc(C)ccc2C)cc1Cl 11604519 KTKHJXVJMGCKNA-UHFFFAOYSA-N 375.852 4.576 0 40 GJAB CCCCC1CCC(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)CC1 11916605 GCLKCJUMLUNRSZ-POOLCLQXSA-N 386.580 4.945 0 40 GJAB COc1ccccc1-c1cc(CN2CCN(c3cc(Cl)ccc3C)CC2)on1 12588269 KXSGMMGAGNFJAH-UHFFFAOYSA-N 397.906 4.634 0 40 GJAB COc1ccc([C@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c2ccccc2)cc1 12819021 XRGANJYHLMWXIN-FCHUYYIVSA-N 393.870 4.558 0 40 GJAB O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)o1 12895423 ANGADWWPCIONFN-UHFFFAOYSA-N 391.258 4.824 0 40 GJAB CCOc1ccccc1CCCNC(=O)CSCc1cccc(Cl)c1 13669503 LLTPXRGFJXFJCY-UHFFFAOYSA-N 377.937 4.721 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3sccc3C#N)cccc2c1=O 14626435 QKPKPJMHSBQXNI-UHFFFAOYSA-N 386.432 4.954 0 40 GJAB CC1(C)OC(c2cccc(OCc3cc(=O)[nH]c4ccccc34)c2)OC1(C)C 15108856 VJVVOPAPYJMART-UHFFFAOYSA-N 379.456 4.710 0 40 GJAB COc1ccc(C2=NN(c3ccc(C(=O)O)cc3)[C@H](c3cccs3)C2)cc1 16216465 NTAPGJPJYVQTKR-IBGZPJMESA-N 378.453 4.811 0 40 GJAB COc1ccc(-c2nc(C(=O)N(C)[C@H](C)c3ccccc3)cs2)cc1OC 18124947 PNRBFRQVWRSKAQ-CQSZACIVSA-N 382.485 4.661 0 40 GJAB Clc1cc(CN[C@H](Cc2ccsc2)c2nccs2)cc2c1OCO2 19406517 LIIWOPDIQYGVNT-CQSZACIVSA-N 378.906 4.660 0 40 GJAB Cc1noc(-c2cnn(C)c2[C@H]2CCCCN2C(=O)CC2CCCCC2)c1C 19558695 CQSQCAWGFJVGEQ-LJQANCHMSA-N 384.524 4.716 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(C)cc1 20491732 CTMYCEKLTXFFGE-LJQANCHMSA-N 377.937 4.855 0 40 GJAB O=C(OC/C=C/c1ccccc1)c1cccc(C(=O)OC/C=C/c2ccccc2)n1 21178420 VBCDDAIYVZPEJW-VOMDNODZSA-N 399.446 4.822 0 40 GJAB O=C(Nc1cccc(Br)c1)c1cccnc1SCC(F)(F)F 22522526 FXHDCVFCINHRFB-UHFFFAOYSA-N 391.212 4.751 0 40 GJAB O=C(c1cccs1)N(CCn1cccn1)c1nc2c(Cl)cccc2s1 23144741 BPIBLHVEBHULHU-UHFFFAOYSA-N 388.905 4.555 0 40 GJAB CCN(C(=O)c1cncc(Br)c1)c1nc2cc(Cl)ccc2s1 24972098 MKMRCVSSRYGIFD-UHFFFAOYSA-N 396.697 4.774 0 40 GJAB CCOc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1C 27741105 GWKIDUUURANBAC-UHFFFAOYSA-N 395.459 4.585 0 40 GJAB Clc1ccccc1-c1ccc(CN2CCN(Cc3ccccn3)CC2)s1 27904491 VVKLHQMSBZPWSK-UHFFFAOYSA-N 383.948 4.781 0 40 GJAB O=C(CN1CCO[C@H](c2ccc(F)cc2)C1)Nc1ccc(-c2ccccc2)cc1 29538015 UJQPTHJZHWELHR-QHCPKHFHSA-N 390.458 4.505 0 40 GJAB COc1ccc2oc(C(=O)NCCCCOc3ccc(Cl)cc3)c(C)c2c1 32797094 QJXZTWVYZBGUAG-UHFFFAOYSA-N 387.863 4.992 0 40 GJAB COCC(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 32901212 GIUMJQBTPGOOPY-OAQYLSRUSA-N 384.479 4.729 0 40 GJAB COc1ccc2oc(C(=O)OCC(=O)c3cc(C)n(C4CC4)c3C)c(C)c2c1 32910487 AJKNFOYIKUJSSQ-UHFFFAOYSA-N 381.428 4.543 0 40 GJAB O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)N=C2CCCCCN12 35174523 RGMSPKZTGFJOSU-NBVRZTHBSA-N 388.496 4.756 0 40 GJAB Cc1ccc(-n2nnc(-c3nc(-c4ccc(Cl)cc4)cs3)c2N)cc1F 38486698 VAGQMLDVXDWBOK-UHFFFAOYSA-N 385.855 4.741 0 40 GJAB FC(F)(F)c1ccc(-c2nc(CN(C[C@H]3CCOC3)C3CC3)cs2)cc1 40105888 LVYZCYRKWBXXKM-CYBMUJFWSA-N 382.451 4.830 0 40 GJAB CCCOc1ccc(C(=O)CCNc2ccc3c(c2)CCN3C(=O)OCC)cc1 40545090 MQULPFSZBTYURX-UHFFFAOYSA-N 396.487 4.679 0 40 GJAB Cc1cc(C)cc(CSCC(=O)NCc2ccc(CN3CCCCC3)cc2)c1 44873308 LZWMCDDRQCPOME-UHFFFAOYSA-N 396.600 4.839 0 40 GJAB Cc1nc(-c2cccc(NC(=O)N3CCC[C@H]3Cc3ccccc3Cl)c2)no1 64544411 VGEMPKBGCFSVSS-SFHVURJKSA-N 396.878 4.937 0 40 GJAB c1coc(-c2cnc(NCc3ccccc3-n3ccnc3)nc2-c2ccco2)c1 72396574 QOXTVKREIMZFAJ-UHFFFAOYSA-N 383.411 4.794 0 40 GJAB O=C(c1ccsc1)N1CCCN([C@@H]2CCc3c(Cl)cc(Cl)cc32)CC1 89885425 SFCYXPJWXOEQHG-GOSISDBHSA-N 395.355 4.890 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(C)cc(C)n2)c2ccccc2)c1 95481997 AFBQNWFHIPKCCJ-FQEVSTJZSA-N 391.496 4.768 0 40 GJAB O=C(c1ccc(O[C@H]2CCOC2)cc1)c1cc(Br)ccc1Cl 95933546 DGMVPGOZCCHBQI-AWEZNQCLSA-N 381.653 4.501 0 40 GJAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cc(C(F)(F)F)ccc1Cl 102180244 JQBLFYHXYVTCCH-SDDRHHMPSA-N 389.801 4.667 0 40 GJAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)c(OC)c1OC 102731839 CMFRLIYHLHJQDY-QGZVFWFLSA-N 398.459 4.859 0 40 GJAB O=c1[nH]c2c(s1)[C@@H](c1ccc(Br)cc1)[C@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 102783739 SQFALPKIUAOVMZ-JHYOHUSXSA-N 394.359 4.851 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccccc2)C[C@@H](c2ccc(F)cc2)C1 102839365 OHVVHIFIVBDWOB-KUHUBIRLSA-N 376.391 4.838 0 40 GJAB CCc1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1 218889841 IFLNRGNMHTXYGE-UHFFFAOYSA-N 385.632 4.759 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)COc1ccccc1C 219337978 FSTDVZODTGWKQW-NQIIRXRSSA-N 377.484 4.889 0 40 GJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(C)n3-c3cccnc3)N21 222685433 YVECDQRTJJDVTG-ORYQWCPZSA-N 389.528 4.555 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)cc1 223746310 FYDCRIRDFUHLAY-MSOLQXFVSA-N 381.526 4.637 0 40 GJAB CCOc1cc(CNC(=O)CCc2ccc(Cl)cc2Cl)ccc1OC 225379859 FACSVSRQTZEXKQ-UHFFFAOYSA-N 382.287 4.650 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225699489 ZTLSKJDAZGGXMC-JOCHJYFZSA-N 378.557 4.721 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCCCC1 225709456 WXXNGJUXDVUWAX-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 225736098 PGOLYNGTWSNOLT-GOSISDBHSA-N 397.500 4.627 0 40 GJAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccccc2F)o1 226756091 VMQYGNGJHJYFDN-UHFFFAOYSA-N 389.224 4.991 0 40 GJAB Cc1noc(C)c1-c1cccc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 257223464 DXLXWNAKWNTPCG-UHFFFAOYSA-N 389.499 4.692 0 40 GJAB O=C(c1ccccc1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257243658 IHYQLICLUDWQEK-PZJWPPBQSA-N 397.902 4.875 0 40 GJAB CCCSc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2s1 408750721 QWINTMHSHSQOFJ-STQMWFEESA-N 378.519 4.628 0 40 GJAB CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Cl)c1O 409105086 GFDXNRSEODESBC-XGICHPGQSA-N 383.753 4.956 0 40 GJAB COc1ccc(C(=O)N[C@H](CC(F)(F)F)C(C)C)c(OCCC(C)C)c1 1523466453 WKZCGAGBMDIMIN-MRXNPFEDSA-N 375.431 4.827 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)NCc4ccc(Cl)cc4)c(N)c3cc2C1 661891 ASOLCMHFJBYKSH-GFCCVEGCSA-N 399.947 4.977 0 40 GJAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 705165 XBPOEYVBRMPMEA-XWYWGPMTSA-N 393.486 4.740 0 40 GJAB Cc1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3Cl)s2)cc1 861812 KIMMCTYBDMUCJR-UHFFFAOYSA-N 378.284 4.996 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)OC1CCCCCCC1 1703542 QJSIMNQNFPYVOL-UHFFFAOYSA-N 394.537 4.523 0 40 GJAB O=C(COC(=O)CCc1ccccc1)Nc1ccccc1Sc1ccccc1 2640961 LORXVOJIBGXIJX-UHFFFAOYSA-N 391.492 4.952 0 40 GJAB CSc1ccccc1NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1 2739357 NTZMWZIBYISCFM-UHFFFAOYSA-N 384.358 4.579 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)CC3CCCC3)ccc21 3235119 UFKBQZXLTWUHEZ-UHFFFAOYSA-N 378.472 4.876 0 40 GJAB CN(C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12)C1CCCCC1 3295922 ZYHNOTJBPQARLX-UHFFFAOYSA-N 399.491 4.667 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2nnc(Nc3ccccc3C)s2)cc1 3340663 AEGBDBZXCWMTMO-UHFFFAOYSA-N 398.513 4.524 0 40 GJAB COc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(C)cc2)cc1 4059436 NCSKWQCIJVFLDA-OAQYLSRUSA-N 377.513 4.607 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)c2ccccc2n1 4240481 DGSHGDZNRAGSCB-KUHUBIRLSA-N 377.513 4.613 0 40 GJAB Cc1cccc(-c2nc3c(c(SCCN4CCCCC4)n2)COC(C)(C)C3)c1 5323619 BXXADVOQZZOIQR-UHFFFAOYSA-N 397.588 4.881 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(Cl)cc1C(F)(F)F 5375303 QTLKPSXKUORKNO-HNNXBMFYSA-N 387.741 4.657 0 40 GJAB C[C@@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)c1c[nH]c2ccccc12 6140887 ZPAHZZBOPHEHEX-CQSZACIVSA-N 392.480 4.915 0 40 GJAB COc1ccc2nc(C)cc(Sc3nnc(-c4ccc(F)cc4)n3C)c2c1 6584291 FPWTZAOLUDMRAW-UHFFFAOYSA-N 380.448 4.638 0 40 GJAB CC(C)(C)C(=O)Nc1ccc(-c2csc(-n3nccc3C(F)(F)F)n2)cc1 6602837 JTIQAQYPAKULFM-UHFFFAOYSA-N 394.422 4.999 0 40 GJAB Cc1cc(C(=O)Nc2ccc(F)cc2F)c2c(C)nn(-c3ccccc3)c2n1 6772759 IFEFZUOZBMFQDU-UHFFFAOYSA-N 378.382 4.568 0 40 GJAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)NC1CCCCCCC1 6890334 QEAJTZZHYGCRCA-UHFFFAOYSA-N 379.500 4.668 0 40 GJAB CCOc1ccc([C@@H]2CCCN2Cn2ncn(-c3ccccc3)c2=S)cc1 7317566 WIPGYWGGONTNQN-FQEVSTJZSA-N 380.517 4.597 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Br)c(C)c1 8497087 TWIAQOOWERHJPU-HNNXBMFYSA-N 378.266 4.562 0 40 GJAB O=C(Cc1csc(SCc2cccc(Cl)c2)n1)NCc1ccccc1 8938230 MDCMPJNVPOYCRT-UHFFFAOYSA-N 388.945 4.948 0 40 GJAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2C)cc1 11116898 URUICNKVGZOILK-NHCUHLMSSA-N 393.512 4.511 0 40 GJAB C[C@@H]1C[C@H]1c1ccc(CN(C)CC(=O)N[C@@H](c2ccccc2)c2cccs2)o1 11503016 OWZMHOVTYYKDAE-HFXUHXBXSA-N 394.540 4.802 0 40 GJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)Nc1ccc(F)cc1F 12754665 VZBBMYBIPXCMEJ-SFHVURJKSA-N 379.838 4.577 0 40 GJAB O=C(CCN1CCSC1=O)Nc1ccccc1SCc1ccsc1 12869865 PZKDKZAGZXIALY-UHFFFAOYSA-N 378.544 4.538 0 40 GJAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 12880804 ZWFPVRKNELJPLP-UHFFFAOYSA-N 393.531 4.674 0 40 GJAB Cc1ccccc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1 12995140 NNPQZRQBUYSFQC-UHFFFAOYSA-N 375.350 4.635 0 40 GJAB C[C@H](Oc1ccc(F)cc1F)c1nnc(SCc2ccc(F)cc2)n1C 13852159 JEBRCAJCKQTDKO-NSHDSACASA-N 379.407 4.665 0 40 GJAB COc1ccc(CCN(Cc2ccncc2)Cc2ccc(Cl)cc2)cc1OC 13989490 FVYHFBPHNSXCMW-UHFFFAOYSA-N 396.918 4.997 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 14118872 ARTMBUJVQPBYIZ-INIZCTEOSA-N 378.472 4.622 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccc(Cl)cc1 16263108 SROKTFRFOFPDAZ-SFHVURJKSA-N 399.878 4.947 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)Cc2csc(-c3ccccc3)n2)cc1 19718764 YSNNHBTYRABGCA-FQEVSTJZSA-N 378.497 4.725 0 40 GJAB Cc1cc(C(=O)O)ccc1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 20143677 ZMUXEWFIISOHRS-UHFFFAOYSA-N 399.402 4.719 0 40 GJAB Cc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1 21595160 BBAAZBSPMYZHSR-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cc1cccc(CSCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 22527874 QBBJGUQVFILWSI-FQEVSTJZSA-N 396.600 4.890 0 40 GJAB Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCCCC2)cc1 22852355 DLGXPBAZEPOBPT-QGZVFWFLSA-N 394.500 4.640 0 40 GJAB COc1ccc(CN(C(=O)CCCc2nc3ccccc3s2)C2CC2)cc1 24830411 BJQSMCXFOLYJGV-UHFFFAOYSA-N 380.513 4.819 0 40 GJAB O=c1[nH]c(CN2CCC[C@@H]2c2ccc(F)cc2)nc2scc(-c3ccco3)c12 25444606 POHZTDSZYSXKAK-MRXNPFEDSA-N 395.459 4.721 0 40 GJAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccccc1 27824524 WEEWQBJMCIPRDA-UHFFFAOYSA-N 381.925 4.696 0 40 GJAB O=C(CCc1cccc(Cl)c1Cl)Nc1ccc(NC(=O)C2CC2)cc1 31715905 LEMPRWBARHCEDL-UHFFFAOYSA-N 377.271 4.913 0 40 GJAB CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 32837464 XXRBUULHDBXVRJ-CYBMUJFWSA-N 390.530 4.704 0 40 GJAB CCOc1ccc(-c2csc(Cc3nc(-c4ccc(OC)cc4)no3)n2)cc1 33298200 DERUHDVBOFLMTK-UHFFFAOYSA-N 393.468 4.858 0 40 GJAB COc1ccccc1CN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1)C2 35289803 QJDYWVAMMKZJCV-SEJPIABJSA-N 395.572 4.567 0 40 GJAB CCCn1c(SCc2ccc(Br)cc2)nnc1-c1ccncc1 58870593 XTWJMGCNOSDWKQ-UHFFFAOYSA-N 389.322 4.805 0 40 GJAB O=C(CN1CCC[C@H]1c1ccc(O)cc1)Nc1c(Cl)cccc1C(F)(F)F 69565925 XACWVNXJVCPYBK-INIZCTEOSA-N 398.812 4.840 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(SC(C)C)nc2)cc1 72217520 VNXXGUYJYZIPBD-IBGZPJMESA-N 390.574 4.806 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1c1cnc2ccccc2n1 84605627 JAMZROTYUQPHJU-QGZVFWFLSA-N 387.270 4.544 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1c1ccc(-c2cc4ccccc4o2)cc1)[C@@H]1C[C@H]31 169678596 ZPRFWGVOJIMMSJ-QHZMACHJSA-N 381.431 4.657 0 40 GJAB Cc1nc2ccccn2c1C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 219032994 PPAMKJAWDIOOLH-KRWDZBQOSA-N 385.920 4.617 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccccc2F)cc1Cl 222710497 WMVLJVGOSAPPFT-UHFFFAOYSA-N 381.856 4.528 0 40 GJAB O=C(CSCc1ccc(Br)cc1)NCCc1ccc(Cl)cc1 223453168 DLGCYGRUDJNJRA-UHFFFAOYSA-N 398.753 4.695 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cc(C)ccc1C 224025121 GKCODLYOMIYQJP-QFIPXVFZSA-N 377.484 4.809 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)s2)cc1 224560827 AXXVJRFNYHVNPI-INIZCTEOSA-N 381.501 4.845 0 40 GJAB Cc1ccc2oc(CCCC(=O)NCCOc3ccc(C(C)(C)C)cc3)nc2c1 224950436 JSOIULMKSPSFNM-UHFFFAOYSA-N 394.515 4.952 0 40 GJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225689022 NKCYYBFGCZIZKG-HSZRJFAPSA-N 390.568 4.721 0 40 GJAB O=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(OC(F)(F)F)cc1 225755324 BLMCQCODTBPRGI-UHFFFAOYSA-N 378.375 4.639 0 40 GJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225847942 DYKSGMQVWFCCEV-QFIPXVFZSA-N 393.524 4.966 0 40 GJAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(Br)cc1Cl 408629091 ZDFUKXMSZVWUFN-UHFFFAOYSA-N 383.698 4.538 0 40 GJAB Cc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1-c1ccc(Cl)cc1 409224535 MHJRMFRDAJDELX-UHFFFAOYSA-N 376.847 4.919 0 40 GJAB O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)CCC[C@H]1Oc1cccc(Cl)c1 585290016 PSSVPPODRNRTTF-RBZQAINGSA-N 399.962 4.956 0 40 GJAB Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCCC[C@H]3C)c2c1C 1340388 IHUAJXXOAHQQBC-GFCCVEGCSA-N 377.579 4.925 0 40 GJAB Cc1cc(OCc2n[nH]c(=S)n2-c2ccccc2)cc(C)c1Br 2561680 KIOBOIOKCMKZKW-UHFFFAOYSA-N 390.306 4.888 0 40 GJAB COc1ccc(C(C)=O)cc1COC(=O)c1ncc(Cl)c(Cl)c1Cl 3416636 SJKSJNSLUAYUGL-UHFFFAOYSA-N 388.634 4.610 0 40 GJAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 4083477 UOGVUQZHAFLJIR-UDPUJEMESA-N 391.511 4.603 0 40 GJAB CSc1ccccc1-c1nnc(NC(=O)Cc2cccc3ccccc23)o1 4585576 DURQIKNPDIHAHQ-UHFFFAOYSA-N 375.453 4.793 0 40 GJAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=S)Nc1ccc(Cl)cc1 4888339 GMZVTKRTZFIFLE-ALOPSCKCSA-N 393.984 4.585 0 40 GJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)cc3)c(Cl)c12 4941116 YIWODCFCIMUUSR-UHFFFAOYSA-N 380.810 4.774 0 40 GJAB CCCCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2cccc(F)c2)s1 4982571 XNUPDPJDFYZVJB-UHFFFAOYSA-N 399.491 4.729 0 40 GJAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cccc(Br)c1 5127535 FZMSJWQNSUOIOV-XYOKQWHBSA-N 387.664 4.757 0 40 GJAB Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5164676 LTACZDKDYJJZSE-RDPSFJRHSA-N 384.435 4.966 0 40 GJAB Cc1ccc(-c2csc(N3N=C(C(C)(C)C)C[C@]3(O)C(F)(F)F)n2)cc1 5243120 AYPRGRCZIQTDBR-KRWDZBQOSA-N 383.439 4.982 0 40 GJAB COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3ccco3)nc12 5256936 BEVXOIQNNRSTKM-UHFFFAOYSA-N 399.859 4.793 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c2c(C)c(C)sc2n1 5429085 KCGXOGYVOQPYAQ-ZBINZKHDSA-N 377.579 4.792 0 40 GJAB COc1cccc(-c2nc(CCNC(=O)CCCc3ccccc3)cs2)c1 5482873 LNVSDCKHWZNGIT-UHFFFAOYSA-N 380.513 4.500 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1Cl 5500856 LQAXUYLHZWVAGY-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB CN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1ccccc1 5857367 BBXQNRXTOFAKPF-UHFFFAOYSA-N 394.544 4.535 0 40 GJAB CCc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12 5938882 BRVSSFPMDAJUKT-GOSISDBHSA-N 378.501 4.663 0 40 GJAB CCOc1c(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cccc1OC 6354830 SJWUZFBZQSQOHD-LDADJPATSA-N 383.469 4.639 0 40 GJAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2F)oc1NCc1ccco1 7002850 RDEAPXUEUYCKKP-UHFFFAOYSA-N 398.415 4.519 0 40 GJAB Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)c1 7928940 YXCMNSLMMJJLMV-FQEVSTJZSA-N 385.463 4.929 0 40 GJAB Cc1ccc(-n2c(SCc3nc4ccccc4c(=O)[nH]3)nc3ccccc32)cc1 8311168 BXVUEAWFBITERA-UHFFFAOYSA-N 398.491 4.863 0 40 GJAB COc1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1Cl 8720395 PGHWGURPMAHNSR-UHFFFAOYSA-N 377.831 4.940 0 40 GJAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(-c2ccccc2Cl)o1 9410726 RIDSWUWMCAFBQR-UHFFFAOYSA-N 392.842 4.714 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCc1nc(-c2ccncc2)no1 11327407 PBQBBOTYSWGJNA-UHFFFAOYSA-N 378.476 4.950 0 40 GJAB Cc1ccc(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c(F)c1 12540090 URPYTEANFXZLOG-UHFFFAOYSA-N 389.430 4.922 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)CSCc2c(C)noc2C)cc1 12731999 WYDMRFAYKNVYBK-UHFFFAOYSA-N 398.484 4.964 0 40 GJAB COc1ccc(C(=O)C2CCN(C(=O)c3sc4ccccc4c3C)CC2)cc1 12742059 XFNNJPKFNQPZAY-UHFFFAOYSA-N 393.508 4.953 0 40 GJAB O=C(Cc1csc(-c2ccco2)n1)N[C@@H](c1ccccc1)c1cccs1 12773680 UEYXIEPDZLONMZ-IBGZPJMESA-N 380.494 4.913 0 40 GJAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccccc3OC(F)F)ccc2c1 12797838 BFEQNZAZZUINEK-CQSZACIVSA-N 385.410 4.870 0 40 GJAB CCC[C@H](NC(=O)CCn1c(-c2cccs2)n[nH]c1=S)c1ccccc1 14249924 DUWMHDBSXDEQFH-HNNXBMFYSA-N 386.546 4.717 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14400691 GDQXJCABYUPHTL-CYBMUJFWSA-N 389.879 4.830 0 40 GJAB Cc1cccc(N2CCN(C(=O)c3ccc(-c4ccccc4Cl)o3)CC2)c1 16297561 JQUTWKYYHDYFGB-UHFFFAOYSA-N 380.875 4.871 0 40 GJAB Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)[C@H]2CC=CCC2)n1 19286986 ZWLFGNAIZLCXQW-QFIPXVFZSA-N 398.510 4.732 0 40 GJAB Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)Nc1ccccc1Cn1ccnc1C 19716879 YNUWPDPIHWAJLR-UHFFFAOYSA-N 386.499 4.828 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 20485095 HHTGAUVGEVVODO-FQEVSTJZSA-N 382.504 4.628 0 40 GJAB Cc1c(C(=O)Nc2onc3c2CCCC3)oc2cc(Br)ccc12 27756229 LSALZCRJNYIKGS-UHFFFAOYSA-N 375.222 4.623 0 40 GJAB O=C(Nc1ccccc1Cl)[C@@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32092640 IOJHMVPPEIMXQJ-INIZCTEOSA-N 384.798 4.514 0 40 GJAB CCCc1nc(CSc2nnc(NCc3ccc(F)cc3)s2)cs1 32777223 OKKJFMMMLZNHJQ-UHFFFAOYSA-N 380.539 4.991 0 40 GJAB CC(C)(C)OC(=O)NC1(CNC(=O)Nc2ccccc2F)CCCCCC1 32935995 VFEDTOZDBZYEEO-UHFFFAOYSA-N 379.476 4.565 0 40 GJAB C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@]12C 35074929 RMEZJKHOZLUOHB-LOVXMMHCSA-N 388.548 4.606 0 40 GJAB CCn1nc(C)c(-c2nn3c(-c4cc(Cl)ccc4Cl)nnc3s2)c1C 36360549 QCOVJPIPQXTZQD-UHFFFAOYSA-N 393.303 4.660 0 40 GJAB COc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 38834192 SUSIBKILCNAXIR-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1N1CCCC1=O 40104207 SRGIWXGBPPIFOH-UHFFFAOYSA-N 392.286 4.784 0 40 GJAB Cc1ccc2nc(NNC(=S)NCc3ccccc3)nc(-c3ccccc3)c2c1 46085270 SZLDQSMPWYATSJ-UHFFFAOYSA-N 399.523 4.596 0 40 GJAB CCOc1ccccc1NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 48290323 UYTKUUZBJFRLFE-UHFFFAOYSA-N 375.472 4.792 0 40 GJAB CCn1c(-c2ccco2)nn(CN2CCCC[C@@H]2Cc2ccccc2)c1=S 58158694 PJTWPTOOHHJOOF-GOSISDBHSA-N 382.533 4.749 0 40 GJAB O=C([C@@H]1CC(c2ccccc2)=NO1)N(Cc1cccs1)c1ccc(F)cc1 71184928 TZUDGGILQINAHI-FQEVSTJZSA-N 380.444 4.614 0 40 GJAB Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c2ncccc12 72008126 QSJNGANMGJIBIY-MRXNPFEDSA-N 386.402 4.544 0 40 GJAB Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4scnc4C)C3)n2)c1 72349847 AEUIGEGIGFDZKN-IBGZPJMESA-N 391.540 4.766 0 40 GJAB Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 72359457 MBLOMTDHWILZOY-JOCHJYFZSA-N 385.511 4.791 0 40 GJAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2ccc(Br)s2)C1 72403499 JTDOHAQJWXFWOG-SNVBAGLBSA-N 394.319 4.941 0 40 GJAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1c(F)cccc1Cl 90613565 CYDJVTANGLZWJE-MRXNPFEDSA-N 381.881 4.614 0 40 GJAB COC(=O)C[C@H](c1oc(CSc2ccc(Cl)cc2)cc(=O)c1O)C(C)C 95474965 GZIZIWPDQDZHKZ-HNNXBMFYSA-N 396.892 4.594 0 40 GJAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccc([S@](C)=O)cc2)n1 95951424 TYTQXXBXFGDWHR-HHHXNRCGSA-N 395.509 4.590 0 40 GJAB COc1ccccc1-c1cc(C(=O)NCc2ccccc2-c2ccsc2)[nH]n1 96383446 CTVVFCIMCIONNP-UHFFFAOYSA-N 389.480 4.744 0 40 GJAB COc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c2ccccc12 222569236 INABBNDUOORNBW-LVXYXVKQSA-N 375.497 4.833 0 40 GJAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)o1 222760166 ZXXPAWTXQMJMPI-RTBURBONSA-N 383.904 4.906 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1C 223162351 HHIUMCCXJGMCNZ-OAHLLOKOSA-N 395.927 4.913 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 223591241 QDEJCWALWGEYGN-HSZRJFAPSA-N 394.559 4.651 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223704666 DEUPMIRTVUYPGW-UHFFFAOYSA-N 383.532 4.856 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224132445 JMAQIEKIZOWDEY-OAHLLOKOSA-N 375.896 4.600 0 40 GJAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COCc1ccccc1 224458124 HBCSXDLZPYVDQR-GOSISDBHSA-N 375.468 4.903 0 40 GJAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)NC1CCCC1 224527014 FJOINLQVIDIWDO-QGZVFWFLSA-N 385.335 4.569 0 40 GJAB O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccccc2F)CCOCC1 225570817 PLNQROAPTBJAOH-UHFFFAOYSA-N 383.463 4.834 0 40 GJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225734267 SXIFHUYEXVLNCI-QFIPXVFZSA-N 378.557 4.577 0 40 GJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225734397 KRMSHDBOGBUAPW-QHCPKHFHSA-N 390.568 4.721 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c(C)c1C 225835106 JUDUMBKURHJZCC-UHFFFAOYSA-N 383.469 4.905 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)c1cc2cccc(Cl)c2oc1=O 226040858 NRQXJKZVKNOHCH-UHFFFAOYSA-N 389.838 4.966 0 40 GJAB COc1cc(C)c(C(=O)NCCCN2c3ccccc3C[C@H]2C)cc1C(C)C 260801787 MSNUDQXHNIQYRP-GOSISDBHSA-N 380.532 4.698 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2c(Cl)cccc2Cl)c(OC)c1OC 408576938 HKNMILUILKIOPQ-CSKARUKUSA-N 382.243 4.671 0 40 GJAB CCN(CC)c1ccc2cc(C(=O)Nc3cccc(Cl)c3C)c(=O)oc2c1 408816656 RYUHDAZWXUXZKG-UHFFFAOYSA-N 384.863 4.853 0 40 GJAB O=C1N/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccc(Cl)cc1 408932344 VXQQNXXLSSOWMQ-WQRHYEAKSA-N 396.805 4.832 0 40 GJAB Cn1cc([C@H]2CN(C(=O)c3ccc(-c4cccs4)cc3)Cc3ccccc32)cn1 575619622 NTGFCMULKUSSMO-JOCHJYFZSA-N 399.519 4.937 0 40 GJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)OC3 755313 HMVMNSFKTRYDCZ-UHFFFAOYSA-N 386.542 4.719 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=S)NC3CCCCC3)C3CCCC3)cc2c1 1224162 SBNGNTKZGCJWRA-UHFFFAOYSA-N 397.588 4.788 0 40 GJAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2cc3c(cc2nc1Cl)OCO3 1367942 MGNJZGOZIPNFTA-UHFFFAOYSA-N 396.874 4.864 0 40 GJAB COc1ccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccc(C)cc2)cc1 1370602 XFOGBLJIRIVPMT-FGZHOGPDSA-N 393.531 4.711 0 40 GJAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 1424997 LKYKBRVJGQJRHG-YBEGLDIGSA-N 393.782 4.673 0 40 GJAB Fc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@H]4CCCO4)ncnc32)cc1 1447665 UCZGDKZOAXORRK-LJQANCHMSA-N 388.446 4.818 0 40 GJAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1 1518090 VCNNFSATXPWPMX-NRFANRHFSA-N 393.874 4.903 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)(C)C)n2C)c1 2218521 JITDOFJOABZSRU-UHFFFAOYSA-N 394.544 4.819 0 40 GJAB Cc1cccc(C)c1NC(=O)C1(N2C(=O)C[C@@H]2c2ccccc2)CCCCC1 2272161 VXOGWUCKNNNMHQ-HXUWFJFHSA-N 376.500 4.918 0 40 GJAB CC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1C 2721582 VVEJYYDEKIJFEB-HSZRJFAPSA-N 383.495 4.813 0 40 GJAB Cc1cccc(C)c1Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 3285547 RRMKZEOKCQRLNM-UHFFFAOYSA-N 396.541 4.580 0 40 GJAB COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(F)cc1)N1CCCCCC1 3441411 CLBPHTVBWDDEEV-JOCHJYFZSA-N 397.490 4.707 0 40 GJAB CCn1c(SCC(=O)C(C)(C)C)nc2scc(-c3ccccc3)c2c1=O 3507514 ASHORYFGBBVYJC-UHFFFAOYSA-N 386.542 4.852 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)c4ccccc4F)n3c2c1C 4161047 YPNMKHHJAKOJMZ-UHFFFAOYSA-N 379.460 4.922 0 40 GJAB Cc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)cc1 4518109 FXWVSVYYJSSVTG-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)O)c2)c1C 4593106 HGJQNAKTJKGSGW-UHFFFAOYSA-N 388.423 4.506 0 40 GJAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)NCc1cccs1 4601600 TYNCAYYAVTXITD-UHFFFAOYSA-N 397.550 4.828 0 40 GJAB c1ccc(Cn2nnc3c(N[C@@H]4CCCc5ccccc54)nc(C4CC4)nc32)cc1 4966729 PMWMEYPRNITQDU-HXUWFJFHSA-N 396.498 4.637 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(C)n2-c2cccc(Cl)c2)cc1 4994068 GBNTUYVXOSSAIS-ZDUSSCGKSA-N 386.908 4.657 0 40 GJAB COc1ccc(NC(=O)Cn2c(SC(C)C)nc3ccccc32)cc1Cl 6024123 JSIJBINZGHKHJU-UHFFFAOYSA-N 389.908 4.838 0 40 GJAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccccc1)oc1ccccc12 6065649 LREPUNUAYNCOPM-AWEZNQCLSA-N 389.407 4.779 0 40 GJAB Cc1ccc2[nH]c(SCC(=O)c3cc(C)n(-c4cc(C)on4)c3C)nc2c1 6292266 UQLVZZSUTYQDKD-UHFFFAOYSA-N 380.473 4.550 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 6657342 WJFUHDQIIIAPHV-OQLLNIDSSA-N 392.820 4.955 0 40 GJAB C[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(-n2ccnc2)cc1 7985300 QXLKZGAUXWVSTB-OAHLLOKOSA-N 383.879 4.538 0 40 GJAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCCCCC2)cc1 8160556 YKDLBGUVBZTSMO-UHFFFAOYSA-N 390.487 4.514 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)cc1C 8433662 UCEOHXBNXZWXDE-UHFFFAOYSA-N 375.424 4.891 0 40 GJAB Cc1nn(C)c(C)c1NC(=O)CSc1nc2ccccc2n1C1CCCCC1 9366850 CTISLZGLEDBLGD-UHFFFAOYSA-N 397.548 4.623 0 40 GJAB Cc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1CC(C)C 9615027 DDACEJVSBNCTRU-UHFFFAOYSA-N 380.517 4.700 0 40 GJAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 10511984 ZQGRFHQKJRPMNN-UHFFFAOYSA-N 390.443 4.842 0 40 GJAB CCOc1ccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OCC 12561798 WBOQCTANNZOWGY-GFCCVEGCSA-N 387.505 4.572 0 40 GJAB C[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 12798929 IVTCWUDGVUPTGK-CQSZACIVSA-N 386.904 4.795 0 40 GJAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccc(F)cc1 12851888 RITWMJAIEOLIKY-UHFFFAOYSA-N 376.840 4.696 0 40 GJAB Fc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13777804 XYTJWHSFAGZGJR-AUSIDOKSSA-N 388.398 4.797 0 40 GJAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2F)c1 13778259 NSRJWEIWAMQCKX-TUACAJSNSA-N 399.506 4.711 0 40 GJAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(Cl)nc1 14662664 PQOLYEGNZQLKMU-UHFFFAOYSA-N 379.563 4.769 0 40 GJAB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1O 16439880 JUKOZIWDDNHBKC-WUXMJOGZSA-N 377.227 4.643 0 40 GJAB Cc1nc(C)c(CC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)s1 19560538 PZADDWRWIJFAGQ-UHFFFAOYSA-N 390.512 4.603 0 40 GJAB COc1cccc([C@@H]2CCCN2C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 19662306 MDOHIZUKKPKBOH-KRWDZBQOSA-N 389.377 4.568 0 40 GJAB COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(C(C)C)cc2)n1 19816332 DUXATQVJNIVGFL-UHFFFAOYSA-N 379.460 4.830 0 40 GJAB Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20450554 TZEPNDJWXDRQSY-LJQANCHMSA-N 396.600 4.890 0 40 GJAB CC(=O)N1CCc2cc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)ccc21 21897260 KYAYTLITZUFDJS-XVNBXDOJSA-N 375.255 4.554 0 40 GJAB COc1cc(C)c(NC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)cc1OC 24832063 BCMNFUDQLCRGED-CMDGGOBGSA-N 382.847 4.866 0 40 GJAB Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)Cc1nc(-c2ccccc2)no1 32796803 FTXJJLDKENSMFL-UHFFFAOYSA-N 398.528 4.766 0 40 GJAB C[C@H]1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)C[C@H](C)O1 32975517 MXRNWFYDHNIZQG-KBPBESRZSA-N 394.298 4.822 0 40 GJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1cccc(C)c1C 33317620 LDUOPIZAZCWSDH-OAQYLSRUSA-N 391.515 4.806 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](NCCc1cccs1)c1ccccc1 35336624 NSYSZHJKEBRYMD-NRFANRHFSA-N 380.513 4.659 0 40 GJAB CCCCC(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 36185244 NUMCFYGRVTVNID-IBGZPJMESA-N 380.488 4.623 0 40 GJAB O=C(NCc1ccccc1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832779 HZIBEUSJBDGXEP-MRXNPFEDSA-N 377.315 4.522 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38834711 KJJBFAITBKZXBC-OAHLLOKOSA-N 380.385 4.695 0 40 GJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)c1 44900648 KGRIINCHKSEKES-ZDUSSCGKSA-N 380.257 4.919 0 40 GJAB O=C(NCc1ccc(-n2ccnc2)cc1)/C(=C/c1ccccc1)c1ccccc1 44901131 GJCJLACGKJPBPK-JJIBRWJFSA-N 379.463 4.729 0 40 GJAB c1cncc(-c2nnc3n2[C@H](CSC2=Nc4ccccc4CS2)CS3)c1 46084486 IGHLYOGWZWLGEU-AWEZNQCLSA-N 397.554 4.655 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(Cl)cc1F 51364534 UXJGFFFMCMCKEK-OAHLLOKOSA-N 382.822 4.638 0 40 GJAB Cc1cc2c(nc1C)oc1c(SCC(=O)Nc3cccc(Cl)c3)ncnc12 71279572 ZCJIQHVYBGTNMJ-UHFFFAOYSA-N 398.875 4.772 0 40 GJAB COc1ccc([C@H](CO)N(C)c2ncnc3sc(-c4ccccc4)cc23)cc1 72307699 TVANFZZFDGQATD-IBGZPJMESA-N 391.496 4.537 0 40 GJAB O=C(c1ccncc1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349149 RNXUNCHYVZJPPE-SFHVURJKSA-N 377.875 4.817 0 40 GJAB COc1ccccc1Cc1cccc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 72349654 SYZOISCIONYKAL-HXUWFJFHSA-N 378.516 4.577 0 40 GJAB O=C(Nc1cccc(Cn2cccn2)c1)N[C@H](C1CCCCC1)C(F)(F)F 79059424 NNOVONAHLUXINI-QGZVFWFLSA-N 380.414 4.564 0 40 GJAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)Nc1cccc2ccccc12 95450173 KULAVNZZDYVHLU-QGZVFWFLSA-N 383.492 4.751 0 40 GJAB O=C1C[C@H](c2cccs2)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96114742 VCODUROSUJGUJD-CYBMUJFWSA-N 390.416 4.668 0 40 GJAB biogenic Cc1cccc(OCc2nn3c(-c4oc5ccccc5c4C)nnc3s2)c1 96194307 QVQQYJNCHVLHCM-UHFFFAOYSA-N 376.441 4.795 0 40 GJAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CN(Cl)C[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C 100367383 ZXLHRZRTZBQUAS-FVZVSQOCSA-N 379.972 4.725 0 40 GJAB O=C(CSc1nc2ccccc2o1)N1CCCC[C@H](c2ccc(F)cc2)C1 206669438 PXGPRIBMZAZWMH-INIZCTEOSA-N 384.476 4.855 0 40 GJAB Cc1ccc(CSCCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 218917789 SYAUXAUMFWBVBH-UHFFFAOYSA-N 377.937 4.694 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccccc1Cl 219060344 NOQMCIHJRWMFLC-SUMWQHHRSA-N 389.879 4.535 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCS[C@@H](c2ccccc2F)CC1 219092583 QFBYEWLMPCZADD-GOSISDBHSA-N 379.884 4.808 0 40 GJAB COc1c(Cl)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl 222584021 BESGOEAKZBJUIH-HNHYXYPQSA-N 394.327 4.986 0 40 GJAB COc1ccc(OC[C@@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1 222690695 HASNBUXSLHPGAH-OAHLLOKOSA-N 393.936 4.805 0 40 GJAB O=C(COc1ccc2c(c1)CCCC2)NCCSCc1ccc(Cl)cc1 223062335 XGFITBISZOCGMI-UHFFFAOYSA-N 389.948 4.647 0 40 GJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)c1C 225489478 CNOWMMJGKWDWHS-SFHVURJKSA-N 386.517 4.618 0 40 GJAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)C1 225731003 LGPKSFCGFDXLKT-ROUUACIJSA-N 389.609 4.662 0 40 GJAB COc1ccc([C@H]2C[C@@H]2[C@@H](C)N[C@H]2c3ccccc3CC23CCOCC3)cc1 582516993 QPPAQCVDBCCURY-BMZZKGLRSA-N 377.528 4.871 0 40 GJAB CC(C)c1ccc(C2(O)CCC(N[C@H]3CCCO[C@@H]3c3ccncc3)CC2)cc1 585085788 HFFRTVLRAINEKS-NKCWTACNSA-N 394.559 4.845 0 40 GJAB Cc1nc2c(F)cccc2cc1C(=O)Nc1ccc(OCc2ccncc2)cc1 1521055528 DAYXZFIULVKUHR-UHFFFAOYSA-N 387.414 4.909 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccc(F)cc2F)N1c1ccc(F)cc1 1615160840 SWYWFRVAWJUDNC-PMACEKPBSA-N 388.433 4.766 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3cccc(F)c3F)CC[C@@H]2N1c1ccc(F)cc1 1615161241 XFHWVTORQWWCFV-KUHUBIRLSA-N 388.433 4.624 0 40 GJAB O=c1cc(-c2ccc(Br)cc2)oc2ccc(Br)cc12 1080961 YCZRTOOLBBTTDE-UHFFFAOYSA-N 380.035 4.985 0 40 GJAB biogenic,in-vitro CCCc1nc(SCC(=O)NCc2cccs2)c2c(C)c(C)sc2n1 1372220 VNMVFAPLQAHAJA-UHFFFAOYSA-N 391.587 4.731 0 40 GJAB O=S(=O)(c1ccccc1)c1cnn(-c2ccccc2)c1-c1ccc(F)cc1 1396971 ZIDPTDWLCMNPFO-UHFFFAOYSA-N 378.428 4.511 0 40 GJAB COc1cccc(C(=O)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)c1 1936140 OECHSQNDUCNNKF-UHFFFAOYSA-N 386.403 4.996 0 40 GJAB biogenic CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(Cl)nc3)ccc21 2172757 PVIYOSHHCWEFGB-UHFFFAOYSA-N 385.876 4.664 0 40 GJAB O=C1O[C@H](Nc2nc(-c3cccc(Br)c3)cs2)c2ccccc21 2203338 WVFDLEJTZGUQFJ-HNNXBMFYSA-N 387.258 4.854 0 40 GJAB Cc1cc(C)c2c(n1)nn1c(Nc3ccc(Br)cc3)cc(C)nc21 2438065 YUGOMBVFPJFTJB-UHFFFAOYSA-N 382.265 4.709 0 40 GJAB CCOc1ccccc1Nc1nnc(SCC(=O)c2ccccc2F)s1 3442715 VMVPLLSQFKBMLD-UHFFFAOYSA-N 389.477 4.795 0 40 GJAB COc1ccc(CCC(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1 4063094 GHVMLNRPAVHWCM-UHFFFAOYSA-N 389.480 4.938 0 40 GJAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)CCc1ccccc1 4063573 JNKGACXEIDEDAG-TUSQITKMSA-N 393.527 4.523 0 40 GJAB biogenic COc1ccc(C(C)(C)c2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1 4721136 RWTQFXRHNJVVIE-UHFFFAOYSA-N 386.455 4.789 0 40 GJAB CCc1cccc(CC)c1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1 5014506 DDFUVMHTOMWJKQ-UHFFFAOYSA-N 385.891 4.678 0 40 GJAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2OC)c1 5143242 TUMMYJOEZSOHAQ-ZJSXRUAMSA-N 386.451 4.946 0 40 GJAB Cc1ccccc1-c1nnc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn12 5302356 JVPIQXAHIGMFCR-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB O=C(Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2)c1cnccn1 6667949 SLISWSSAYQCZPN-UHFFFAOYSA-N 397.887 4.554 0 40 GJAB Cc1ccc(-c2n[nH]c(SCC(=O)c3ccc(Br)s3)n2)cc1 8314436 SDDTUMZPABRPTL-UHFFFAOYSA-N 394.319 4.579 0 40 GJAB CCCc1n[nH]c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 8705986 DDCYULLTKHXKBS-LJQANCHMSA-N 380.517 4.846 0 40 GJAB Cc1ccc(F)cc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1 8726607 KPICMRWUFJITFD-UHFFFAOYSA-N 393.340 4.774 0 40 GJAB COc1ccc(C(=O)Nc2nnc(-c3ccc(C(C)(C)C)cc3)s2)cc1OC 9359058 NTPLOMCWVRKZPN-UHFFFAOYSA-N 397.500 4.772 0 40 GJAB Cc1cc(C(=O)COc2cccc3c2CCC3=O)c(C)n1Cc1cccs1 10198016 VZFLIXAGKJLOCZ-UHFFFAOYSA-N 379.481 4.605 0 40 GJAB Cc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10369021 CXXYALLBNJQVLN-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(NC[C@@H](O)Cn1c2ccccc2c2ccccc21)Nc1ccc(Cl)cc1 12249868 INVOVSQEFYXUPI-QGZVFWFLSA-N 393.874 4.631 0 40 GJAB C[C@H](SCc1cc(-c2ccc(Cl)cc2)no1)C(=O)NCc1cccs1 12853752 CLNJFIGLJLGXJN-LBPRGKRZSA-N 392.933 4.995 0 40 GJAB CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccccc3Cl)oc12 12998813 COMBLUYVKNSGHM-LBPRGKRZSA-N 379.865 4.524 0 40 GJAB Cc1ccc(-n2ncc3c(Nc4ccc(Br)cc4)ncnc32)cc1 13369940 QTVZARYSSHCZBT-UHFFFAOYSA-N 380.249 4.630 0 40 GJAB CC[C@H](Sc1nc(C)c(-c2ccc(O)cc2)[nH]1)C(=O)N[C@H](C)c1ccccc1 13945135 RTJZXYQOJIUBJC-KUHUBIRLSA-N 395.528 4.839 0 40 GJAB CC(=O)Oc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 13957549 FYVRPQBPZVXFAL-UHFFFAOYSA-N 386.407 4.981 0 40 GJAB C=C1C[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 15449356 UDKABVSQKJNZBH-HITKPJKISA-N 396.527 4.741 0 40 GJAB Fc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccncc2)cc1 16281908 RHFRCXGHPMWGHB-UHFFFAOYSA-N 380.423 4.900 0 40 GJAB COc1ccc(-c2c(C)nn3c2N=C(C)C[C@@H]3c2ccc(OC)cc2OC)cc1 17079923 JAZSBNHBULDDOI-HXUWFJFHSA-N 391.471 4.970 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCc1ccc(Cl)cc1 17297400 QVYIZYLEDCQGPK-UHFFFAOYSA-N 392.261 4.599 0 40 GJAB Cc1ccc(-c2nnc([C@H]3CCCN(CCOc4ccc(F)cc4)C3)o2)s1 19217602 QSDLMOFGNGXQAQ-HNNXBMFYSA-N 387.480 4.504 0 40 GJAB CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)C(CC)CC)n1 19525503 KDDKVQRFRJYRNN-GOSISDBHSA-N 384.524 4.882 0 40 GJAB O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCCSc2ccccc21 21844329 OANJACMASLMUHN-UHFFFAOYSA-N 383.904 4.727 0 40 GJAB O=C(CCSc1nccc(C(F)(F)F)n1)Nc1cc(Cl)ccc1Cl 25063969 GGNJPELDSGHRBW-UHFFFAOYSA-N 396.221 4.923 0 40 GJAB CCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)cc21 28404339 DIJDJYMAWNQZHW-UHFFFAOYSA-N 398.846 4.701 0 40 GJAB COC(=O)c1sc2nc(C)nc(N[C@H](c3ccc(OC)cc3)C3CC3)c2c1C 30767398 GWXKKIZHDYITSO-KRWDZBQOSA-N 397.500 4.667 0 40 GJAB COc1ccc(CN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)C2CC2)cc1 31705541 NHZMERUFQYKCJQ-ZDUSSCGKSA-N 394.298 4.961 0 40 GJAB O=C(Nc1ccccc1OC(F)(F)F)c1ccc(CN2CCCCC2)cc1 32869042 OLWSAGCCDUEPCU-UHFFFAOYSA-N 378.394 4.823 0 40 GJAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccc5c(c4)CCC5)ncnc3c2c1 33172579 DPQWOBMOXOIQNH-UHFFFAOYSA-N 388.496 4.639 0 40 GJAB O=C(O)[C@@H]1CS[C@@H](c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)N1 33479303 FRSPVSUUNAPNSE-PXNSSMCTSA-N 399.899 4.860 0 40 GJAB Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)cc(-n2cccn2)n1 35597385 CSKVABNWGYJKBH-UHFFFAOYSA-N 399.458 4.667 0 40 GJAB CCOc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 37208997 VBLMFZYYBZPMMS-OAQYLSRUSA-N 398.553 4.795 0 40 GJAB Cc1cccc(Cc2cnc(NC(=O)CCCc3nc(C(C)C)no3)s2)c1 40130944 HOBLWDCESJYLRH-UHFFFAOYSA-N 384.505 4.510 0 40 GJAB Cc1oc2nc(S[C@@H]3CCCCC3=O)nc(NC(=O)c3ccccc3)c2c1C 45537040 LQLWVXCPJILYRJ-MRXNPFEDSA-N 395.484 4.696 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)cc1 46012663 YLODOXCZIRVWLA-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 47081086 RCSULKZMJOZDTF-KRWDZBQOSA-N 382.529 4.573 0 40 GJAB Cc1cc([C@H](C)NC(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)c(C)s1 48277472 POWDVQDWJIOGGT-LZWOXQAQSA-N 387.549 4.861 0 40 GJAB O=C1OC(c2cccs2)=N/C1=C\c1sc(Oc2ccccc2)nc1Cl 48354970 VVDMWUUXJAYEIM-LUAWRHEFSA-N 388.857 4.995 0 40 GJAB Cn1c([C@@H]2CCCCN2C(=O)CCc2cc(F)ccc2F)nc2ccccc21 56132900 SYOPZWZHUUKSON-FQEVSTJZSA-N 383.442 4.538 0 40 GJAB Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)s1 58341988 MAJKQSBDSRBGDB-HNNXBMFYSA-N 397.327 4.997 0 40 GJAB COc1ccc(-n2ccc(CNc3ncc(C(F)(F)F)cc3Cl)n2)cc1 58404430 RILBQQKIWDQTBC-UHFFFAOYSA-N 382.773 4.560 0 40 GJAB COc1c(C)cnc(CN(C)C(=O)c2cc3c(s2)-c2ccccc2CC3)c1C 58413560 DAUXNWHJPDMYDH-UHFFFAOYSA-N 392.524 4.806 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 58955977 VJPAFJQYDNAOHO-LBPRGKRZSA-N 396.796 4.659 0 40 GJAB COc1ccc2c(c1)S[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(O)=N2 61720970 DNJKNJVMZHUYPB-OAHLLOKOSA-N 396.390 4.805 0 40 GJAB O=S(=O)(N=[S@](=O)(c1ccccc1)[C@@H](F)c1ccccc1)c1ccccc1 71256996 WPXCCKAGGLDZDC-CLOONOSVSA-N 389.473 4.571 0 40 GJAB CC(=O)Nc1cccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)c1 71416014 XHTLCYCWRMNXGB-KRWDZBQOSA-N 381.284 4.730 0 40 GJAB COc1ccc(CCN2CCC[C@@H](c3cccc(Nc4ccccn4)n3)C2)cc1 72375988 ZVGBGKRMSOVTID-HXUWFJFHSA-N 388.515 4.651 0 40 GJAB C[C@@H](NC(=O)CCCC1CCCCC1)c1cc(F)ccc1N1CCC(O)CC1 78996302 FNSMIXITELYUCN-QGZVFWFLSA-N 390.543 4.715 0 40 GJAB CCCN(CC)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1-c1ncccn1 96146461 MBQWSTXMGHOELJ-UHFFFAOYSA-N 389.503 4.828 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 100423584 HKKNNABIIQJWPY-HUUCEWRRSA-N 393.409 4.616 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2cccs2)c1[C@H]1C(=O)Nc2c(Cl)cccc21 101626159 WDZKLTQKJZTORR-AWEZNQCLSA-N 386.860 4.576 0 40 GJAB Cc1cc(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)ccc1N1CCCC1=O 104739361 UOKJHQZQACXNNY-NBHGPNQESA-N 386.536 4.538 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OC 216096690 OVIBHYUUELDTSR-UHFFFAOYSA-N 378.266 4.842 0 40 GJAB O=C(CCc1ccc2c(c1)OCCO2)N(Cc1ccccc1)Cc1ccccc1 222637812 AJIHETZXYMCBJL-UHFFFAOYSA-N 387.479 4.619 0 40 GJAB COc1cc(C)c([C@H](C)NC(=O)CCc2ccc3c(c2)OCO3)cc1C(C)C 223369213 CKIHDESTYHLPJR-INIZCTEOSA-N 383.488 4.666 0 40 GJAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1C 224103109 PFMHJSHUJBVWPS-UHFFFAOYSA-N 387.479 4.781 0 40 GJAB CN(Cc1ccccc1)C(=O)CCc1ncc(-c2cccc(Br)c2)o1 224888200 VQMWIEJKQQFLCF-UHFFFAOYSA-N 399.288 4.695 0 40 GJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225619358 ODWBPMBNCQYLJK-QHCPKHFHSA-N 390.568 4.721 0 40 GJAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)cc1C(=O)OC 225842143 YFVLYMPRPANVTG-NRFANRHFSA-N 379.497 4.576 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)cc1 408648982 WXPBISNLOMMRQB-SFHVURJKSA-N 386.451 4.779 0 40 GJAB Cc1ccc(-c2nnc(CN(C)C(=O)C(C)(C)Oc3ccc(Cl)cc3)o2)cc1 408714365 PGPTUMUNNNVPIC-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB Cc1ccc(C(=O)N2N=C(C3CCCCC3)C[C@@]2(O)C(F)(F)F)cc1Cl 409094562 FRTVDLYQBUCMTD-QGZVFWFLSA-N 388.817 4.682 0 40 GJAB COCCOCc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)ccc1F 512998622 NLHJJELRWTWOGM-QQFNCUIESA-N 397.490 4.540 0 40 GJAB Cc1nnc(CN(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)s1 569155072 YKLVPCQTFSTFTA-UHFFFAOYSA-N 379.316 4.751 0 40 GJAB COc1ccc(-c2cc(NC(=O)N3CC[C@@H]4C[C@@H]4C3)ccc2OC(F)F)cc1 585099379 BVRDMJXORMJJPD-HUUCEWRRSA-N 388.414 4.837 0 40 GJAB FC(F)(F)c1ccc(N2CC[C@@H](NCc3csc4ccccc34)C2)nc1 2087072266 YUJBNAAFLJKNAO-OAHLLOKOSA-N 377.435 4.684 0 40 GJAB Cc1cc(OCc2ccc(Br)cc2)c2c3c(c(=O)oc2c1)CCC3 944182 IXDZJPODVUCIJY-UHFFFAOYSA-N 385.257 4.932 0 40 GJAB CSc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 1098812 VSDNLKZLYJOUMF-OAQYLSRUSA-N 396.537 4.724 0 40 GJAB O=C1C(Cl)=C(Nc2ccc(F)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 1786205 APZVHYXCGAMABY-UHFFFAOYSA-N 399.636 4.564 0 40 GJAB CCC(CC)c1nnc(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)s1 2661036 OJVBCGLNKOFIRU-VQHVLOKHSA-N 397.447 4.704 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 4026579 DPBGWNOQXKBDCB-PPUJWOGTSA-N 376.537 4.704 0 40 GJAB biogenic CCOc1ccccc1C(=O)NCCc1sc(-c2ccc(F)cc2)nc1C 5108250 OLSUEUKJEOPZEO-UHFFFAOYSA-N 384.476 4.629 0 40 GJAB C[C@@H](Sc1ccc2ccccc2c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 7025829 ZHXDLTDAIGNCIJ-CQSZACIVSA-N 385.510 4.575 0 40 GJAB O=C1c2ccccc2N[C@H](c2c(F)c(F)c(F)c(F)c2F)N1Cc1ccco1 7112616 RGLYZAABWWGPOE-SFHVURJKSA-N 394.299 4.742 0 40 GJAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccccc1-c1ccccc1 8026008 KUGBRAIFWMVSKV-QGZVFWFLSA-N 388.467 4.954 0 40 GJAB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1C(C)C 8334084 RXGZNIQFUGRDKC-VXLYETTFSA-N 379.485 4.794 0 40 GJAB O=C(O)/C(=C\c1ccc(Cl)cc1)c1ccc(I)cc1 8731858 VIACNOMAKCIAAP-ZROIWOOFSA-N 384.600 4.570 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N2CCc3sccc3[C@@H]2C)c1 10218025 VTANBPPOXHQVCE-AWEZNQCLSA-N 382.485 4.691 0 40 GJAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1ccc(Cl)s1 11695450 XVWXNZQFSGDVRR-UHFFFAOYSA-N 390.671 4.528 0 40 GJAB COc1ccc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)c(OC)c1 12583626 QHTXDQWRVGEGMI-UHFFFAOYSA-N 396.440 4.881 0 40 GJAB Cc1ccc(-c2cnc(SCc3nnc(C)o3)n2-c2ccccc2F)cc1 12604126 QJSFWSQPBUPLKY-UHFFFAOYSA-N 380.448 4.971 0 40 GJAB Cc1ccsc1CN(C)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S 12913761 FGTIKQVSNVCHTM-UHFFFAOYSA-N 378.954 4.731 0 40 GJAB CCOc1ccccc1-c1nc(CC(=O)Nc2cccc(C(C)=O)c2)cs1 14093001 WKPZTBUAXVXPCE-UHFFFAOYSA-N 380.469 4.593 0 40 GJAB Cc1cc(SCC(=O)NCCc2cccs2)c(C)cc1Br 17909860 XAVLDXYZQQXFBW-UHFFFAOYSA-N 384.364 4.578 0 40 GJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cc2ccccc2oc1=O 19603937 JOJOZNYOOQOGIN-UHFFFAOYSA-N 393.826 4.979 0 40 GJAB Cc1c(C(=O)N[C@@H](CCN(C)C)c2ccccc2)n(C)c2ccc(Cl)cc12 19659565 YMTIXBARNLTDGS-IBGZPJMESA-N 383.923 4.563 0 40 GJAB CCOc1ccc([C@@H]2CCCN2C(=O)c2[nH]c3ccccc3c2NC(C)=O)cc1 19717730 IQBUEAXWULIEII-FQEVSTJZSA-N 391.471 4.502 0 40 GJAB O=c1c2cnc(Nc3nc(-c4ccccc4)cs3)nc2ccn1-c1ccccc1 20799720 DLUVQPBKTCOARS-UHFFFAOYSA-N 397.463 4.648 0 40 GJAB O=C(/C=C/c1sc2ccccc2c1Cl)Nc1ccc2c(c1)NC(=O)CO2 26392742 CSDLYSFWQSBSFB-BQYQJAHWSA-N 384.844 4.538 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(OC)c(Cl)cc1OC 30866255 LYHYKSYWAVZDQK-OAHLLOKOSA-N 384.259 4.807 0 40 GJAB O=C(C1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1CCc2ccccc21 30946925 OLPWNOUNAJDSOR-UHFFFAOYSA-N 389.326 4.795 0 40 GJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1c(F)cccc1Cl)CC(O)=N2 32087676 HLRLDTJDQQKSKC-SECBINFHSA-N 392.221 4.540 0 40 GJAB Cn1c(COc2ccccc2Cl)nn(CN(C2CCCC2)C2CC2)c1=S 32923188 RTZPAPDZPCIFFO-UHFFFAOYSA-N 392.956 4.548 0 40 GJAB Cc1ccc(-c2nc(C(=O)NCc3ccc(-c4csc(C)n4)o3)cs2)o1 33162351 SIOVDSFCIPYPHT-UHFFFAOYSA-N 385.470 4.666 0 40 GJAB c1ccc(Cc2nc3ccccc3c3nnc(SCc4cccnc4)n23)cc1 35314316 BCGOFZFBMJYANJ-UHFFFAOYSA-N 383.480 4.556 0 40 GJAB Cc1ccc(CSc2nnc3n(CCC(C)C)c(=O)c4sccc4n23)cc1 35529065 KSZRIWLADALZFQ-UHFFFAOYSA-N 398.557 4.753 0 40 GJAB CC(=O)Oc1c(Cl)cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1Cl 41082735 KDSNNCOFDUZYGO-CXUHLZMHSA-N 390.222 4.572 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(C)cc2)c(Cl)c1 44899985 VKLFQVHKPXLYJF-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB Cc1cnc2c(S(=O)(=O)N3CC[C@H](C)Sc4ccccc43)cccc2c1 48324501 CFCRAYFREVCEOP-HNNXBMFYSA-N 384.526 4.623 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364557 YJYYOFUXCIUFEN-QGZVFWFLSA-N 378.859 4.807 0 40 GJAB COc1c(Br)cc(Br)cc1CNCc1cccs1 57322154 PYZFYRQFBQKBKG-UHFFFAOYSA-N 391.128 4.572 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccccc2F)c1 57986751 TWTIXWVAJKRABH-UHFFFAOYSA-N 375.856 4.947 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Nc1nnc(-c2cccc(SC)c2)o1 62017488 RKNWGCTZLNIAKJ-UHFFFAOYSA-N 390.852 4.765 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl 71116175 POKJMVFBLGUUMM-GFCCVEGCSA-N 387.842 4.759 0 40 GJAB Cc1nc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)co1 72350453 OSOVGRHHKGEUGP-MRXNPFEDSA-N 381.863 4.718 0 40 GJAB COc1cccc(C2=CCN(C(=O)Nc3cccc(C(=O)c4ccccc4)c3)C2)c1 95467116 ZRXLPOYMTNVACY-UHFFFAOYSA-N 398.462 4.857 0 40 GJAB Clc1ccc(OCc2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193900 WTBCQEULMZWTOD-UHFFFAOYSA-N 382.832 4.831 0 40 GJAB CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccccc3F)C1=O)CCC2 98086349 JUPVIAKPUJGIOP-UDWIEESQSA-N 397.471 4.950 0 40 GJAB CC(=O)Nc1cccc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)c1 101534714 KPQPOBOKQBBSHW-UHFFFAOYSA-N 390.468 4.535 0 40 GJAB O=C1S/C(=C\c2ccc(Br)o2)C(=O)N1Cc1ccc(Cl)cc1 106686454 KHYLVJSEMPXPEO-GHXNOFRVSA-N 398.665 4.932 0 40 GJAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)C5N=N5)[C@@]4(C)CC[C@@H]32)C1 118934320 AEBXALXJAASRTA-KPTKGFLISA-N 384.520 4.858 0 40 GJAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC 219281405 YLMYFAADOLSWRO-UHFFFAOYSA-N 389.451 4.506 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 219603061 HQYGFHJVMJZXOK-GOSISDBHSA-N 391.895 4.610 0 40 GJAB CCOc1ccccc1CNC(=O)CSCc1ccc(Cl)cc1Cl 222725735 OZSQXXPBRRABIN-UHFFFAOYSA-N 384.328 4.942 0 40 GJAB CC[C@@H](NC(=S)Nc1cc(C(=O)OC)ccc1Cl)c1ccc(C)cc1 225484374 NCDCWDHVUNVGBW-MRXNPFEDSA-N 376.909 4.873 0 40 GJAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(OC)c1 225673158 KAESLIXWHMGZAA-KRWDZBQOSA-N 386.517 4.601 0 40 GJAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCC[C@H]4CCCC[C@H]43)ccc21 230060691 LPZWIEZZDOUSEX-ZQMYSKGWSA-N 389.495 4.936 0 40 GJAB O=C(c1cc2ccccc2s1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 244975245 IHSIKKQYENFDLB-ZDUSSCGKSA-N 381.482 4.643 0 40 GJAB CCSc1ccccc1C(=O)NC[C@](O)(c1ccsc1)c1cccs1 244986256 JMYHZPIQQDLWLZ-IBGZPJMESA-N 389.567 4.588 0 40 GJAB Cc1ccc(OCCCC(=O)NCCSCc2c(F)cccc2Cl)cc1 408703371 QMTZHJBWHMHTKF-UHFFFAOYSA-N 395.927 4.996 0 40 GJAB Cc1ccc(CN2C(=O)CC[C@]23CCCN(Cc2cccc(F)c2)CC3)cc1 585100684 SSXHGYJMWNAPGP-DEOSSOPVSA-N 380.507 4.681 0 40 GJAB Cc1cccc(Cc2cnc(NC(=O)c3c(C4CC4)cnn3C)s2)c1Cl 585108867 HAKWUOSFEQAFIN-UHFFFAOYSA-N 386.908 4.559 0 40 GJAB O=C(NCCc1csc(-c2ccccc2)n1)c1cc(F)cc(C(F)(F)F)c1 1595857576 RRTXZGZLTQLDAB-UHFFFAOYSA-N 394.393 4.941 0 40 GJAB CCOc1ccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)cc1 1615118434 FNCQBEYCLYSQDV-DEOSSOPVSA-N 396.506 4.888 0 40 GJAB CC(C)(C)C[C@@H](NC(=O)N1CCC(O)(C2CC2)CC1)c1ccc(Cl)cc1 1616043703 AGIXGNLHDFJTSV-GOSISDBHSA-N 378.944 4.764 0 40 GJAB O=C(N/C(=C/c1cccc2ccccc12)C(=O)N1CCCCC1)c1ccccc1 675771 HVJXCWSRSDZVFR-PTGBLXJZSA-N 384.479 4.623 0 40 GJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(OC)c1 855012 BGGZRISJUGCDQY-UHFFFAOYSA-N 381.453 4.853 0 40 GJAB COc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2C)C3)cc1 1370546 FMLBJFYOCYDRPC-SFTDATJTSA-N 393.531 4.711 0 40 GJAB CCCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCCC2 2086379 PMXQWZQKRLGIIA-UHFFFAOYSA-N 375.465 4.975 0 40 GJAB COc1ccc(CN(CC[C@H](c2ccco2)c2ccccc2OC)C(C)=O)cc1 2218557 MMLYJNMQWBVBNG-QFIPXVFZSA-N 393.483 4.868 0 40 GJAB Cc1ccc([C@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2264308 ZACYUMYSOOFCQF-LXFBAYGMSA-N 395.439 4.872 0 40 GJAB CC(C)c1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)n3nnnc3N2)cc1 2500113 VLCVTYCRSXJBCT-MSOLQXFVSA-N 398.308 4.705 0 40 GJAB CC1(C)[C@H]2CC[C@]1(C)c1c2c(COC(=O)c2ccco2)nn1-c1ccccc1 3172232 SVHIAARXLTZEKC-QMHKHESXSA-N 376.456 4.997 0 40 GJAB Cc1ccc(C(=O)O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c(C)c1 3422395 CYAONXFZRGDYAS-LJQANCHMSA-N 387.479 4.755 0 40 GJAB O=C(CSc1nnc(-c2cccs2)o1)Nc1cccc(Cl)c1Cl 3475152 MBMMIUSNXSDPHF-UHFFFAOYSA-N 386.285 4.836 0 40 GJAB Cc1cc(C)c(C2=NON3N(C(=O)c4ccccc4C)c4ccccc4N23)c(C)c1 4031665 ZUSBADIDDNEPFP-UHFFFAOYSA-N 398.466 4.826 0 40 GJAB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4088732 ZNTXJVFKWFVVJL-UHFFFAOYSA-N 399.903 4.924 0 40 GJAB Cc1cccc(-n2nc3c(c2NC(=O)CCC2CCCCC2)C[S@](=O)C3)c1C 4105796 IUSGMFJDFOALHV-MUUNZHRXSA-N 399.560 4.550 0 40 GJAB COc1ccc(NC(=O)CNc2ccccc2Oc2ccccc2)c(OC)c1 4904841 UXBLRLPFCXDPFF-UHFFFAOYSA-N 378.428 4.547 0 40 GJAB C[C@@](N)(c1cc(Br)cc(Br)c1N)C1CCCCC1 5141651 QYNKEKWNHSDRNY-AWEZNQCLSA-N 376.136 4.548 0 40 GJAB in-vitro Cc1ccc(NC(=S)NC(=O)CSc2ccc(Cl)cc2)cc1Cl 6033912 DMNSWKKTMPBDEK-UHFFFAOYSA-N 385.341 4.907 0 40 GJAB C[C@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)N(C)c1ccccc1 6466114 RJYZROWMJVKKQT-AWEZNQCLSA-N 393.464 4.516 0 40 GJAB O[C@@H](CNCCC12CC3CC(CC(C3)C1)C2)COc1ccc(Cl)cc1Cl 6638123 TVFIWRKREYOCDA-CARYKQCGSA-N 398.374 4.929 0 40 GJAB Cc1ccc(-c2cc(C(=O)NCCc3ccccn3)c3ccccc3n2)c(C)c1 6824616 JOAVQBOPYAJLFW-UHFFFAOYSA-N 381.479 4.886 0 40 GJAB C[C@@H]1CCCC[C@H]1NC(=S)Nc1cccc(-c2nnc3n2CCCCC3)c1 7582558 PATFLAHMOJVBAF-CRAIPNDOSA-N 383.565 4.537 0 40 GJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N(C)C1CCCCC1 8232922 BYHNCTXKIWPWIR-ZDUSSCGKSA-N 390.578 4.613 0 40 GJAB Cc1cc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c(C)n1C1CC1 8391909 JGOQNLOYSOOIDT-UHFFFAOYSA-N 388.467 4.954 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 8478186 RPIAJTMRIOAPIC-INIZCTEOSA-N 382.243 4.576 0 40 GJAB CCN(Cc1cccc(F)c1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 9791987 MHZIBTFYXCAIHG-NRFANRHFSA-N 386.467 4.526 0 40 GJAB CN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2Oc2ccccc21 9827815 UNUMVMLVSHHCNW-UHFFFAOYSA-N 380.350 4.599 0 40 GJAB CC(=O)N1C=CN(C(C)=O)[C@H](c2c[nH]c3ccccc23)[C@@H]1c1c[nH]c2ccccc12 12437083 KYAXDNWIUHATAE-PSWAGMNNSA-N 398.466 4.613 0 40 GJAB COc1cc(OC)c(NC(=O)CN(C)Cc2ccc3ccccc3c2)cc1Cl 12856697 JZHUINMGQRCDCS-UHFFFAOYSA-N 398.890 4.581 0 40 GJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC[C@H]2CCCC[C@H]2C1 12896581 KESFVYMUBIQWRS-QUCCMNQESA-N 386.499 4.587 0 40 GJAB C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc(OC(F)F)cc1 13021212 FCXSOVMTMVAGJH-NSHDSACASA-N 394.468 4.893 0 40 GJAB O=C(c1ccc(F)cc1)C1CCN(C(=S)Nc2ccccc2Cl)CC1 13555835 XAPGIYUGGUURCY-UHFFFAOYSA-N 376.884 4.771 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 15008626 NWRADDXWJURPSO-XDHOZWIPSA-N 394.496 4.793 0 40 GJAB Cc1c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)oc2c1ccc1ccccc12 18005891 VHLWKIYZAGDUKH-UHFFFAOYSA-N 390.414 4.744 0 40 GJAB COc1ccccc1CN1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 19565074 MSVQYYSTJRKBCD-UHFFFAOYSA-N 387.430 4.857 0 40 GJAB COc1cc(CNC2CC2)cc(Br)c1OCc1ccc(C)cc1 20367347 PCEUCTDLCZHRMV-UHFFFAOYSA-N 376.294 4.597 0 40 GJAB Cc1ccccc1[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccccc1 20489342 AGTOWIFJZMKWLQ-OAQYLSRUSA-N 385.916 4.857 0 40 GJAB COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1cccc(Cl)c1 22074792 DIYXFRCDCQZPCT-OAQYLSRUSA-N 397.902 4.751 0 40 GJAB CCn1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)c(=O)c2cc(C)ccc21 22234798 DQECIEPGBDKNMX-HNNXBMFYSA-N 380.513 4.543 0 40 GJAB Cc1c(C(=O)N[C@@H]2CCOc3ccccc32)oc2ccc(Br)cc12 23646538 QPMXXKBAOSTMBB-OAHLLOKOSA-N 386.245 4.757 0 40 GJAB CCCCCC(=O)OC[C@H](O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1 26897172 UEFOKZSZDQVRSZ-REWPJTCUSA-N 383.532 4.562 0 40 GJAB COc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCCC3)n2)cc1 27643128 QTRYWANQGVCJNI-UHFFFAOYSA-N 396.882 4.621 0 40 GJAB CC(C)c1cc(C(N)=O)c(NC(=O)C(c2ccccc2)c2ccccc2)s1 27927033 BIAMRZIBZWQHPE-UHFFFAOYSA-N 378.497 4.741 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)o1 27980326 YBSBUKUOEWMRIF-LJQANCHMSA-N 377.440 4.675 0 40 GJAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCC(c2nc3ccccc3[nH]2)CC1 29269091 LPHCNJIQDYANQL-UHFFFAOYSA-N 378.863 4.717 0 40 GJAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)c1 32109936 WVAFEVUZPMJMSO-UHFFFAOYSA-N 393.283 4.994 0 40 GJAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCSc2ccccc21 32717071 JKXXIFLKWPMANI-UHFFFAOYSA-N 397.525 4.731 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cn1cccn1 32832843 KOHJIKXLVPNPSA-ZDUSSCGKSA-N 390.270 4.644 0 40 GJAB CCOC(=O)c1c(NCc2ccc(Cl)cc2)c2ccc(Cl)cc2[nH]c1=O 33256888 AQJAJDPBJYJGAW-UHFFFAOYSA-N 391.254 4.624 0 40 GJAB CCn1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3c(C)noc3n2)n1 36618010 FKQHMGCBUWXRLN-UHFFFAOYSA-N 395.850 4.629 0 40 GJAB COc1ccc(-c2csc(-c3nnn(-c4ccc(C)cc4)c3C)n2)cc1OC 38651797 RESRGAAEVACOTQ-UHFFFAOYSA-N 392.484 4.692 0 40 GJAB N=C1NC(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)S1 40007242 QQJSEOCDNDJICT-VIZOYTHASA-N 379.268 4.711 0 40 GJAB C[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)on2)c2ccccc2O1 41155583 GRGLEHBPMUWKPL-LBPRGKRZSA-N 399.244 4.532 0 40 GJAB O=C(OCc1cc(Cl)cc2c1OCOC2)C1(c2ccc(F)cc2)CCC1 48250845 YKVPPMZXZYMUMK-UHFFFAOYSA-N 376.811 4.511 0 40 GJAB CC(C)(C)c1cnc(CSc2nc(COc3ccc(Cl)cc3)n[nH]2)o1 48354924 APFMTWSJHQAOIW-UHFFFAOYSA-N 378.885 4.615 0 40 GJAB Cc1nc2ccc(NC(=O)C(=O)N[C@H](C)c3ccc4ccccc4c3)cc2s1 48800965 FSNLQCZCXNVFNL-CYBMUJFWSA-N 389.480 4.574 0 40 GJAB Fc1ccc(-c2csc(N3CCN(C/C=C\c4ccccc4)CC3)n2)cc1 55382866 VJTZZMJRLADZRZ-DAXSKMNVSA-N 379.504 4.785 0 40 GJAB COc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc3ccccc23)cc(OC)c1 57380654 COHVSFXWVGRESB-JKSUJKDBSA-N 378.472 4.535 0 40 GJAB CCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)no2)cc1 57486797 CJQUGRYYFXCQBE-UHFFFAOYSA-N 386.455 4.715 0 40 GJAB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccco3)cccc2c1Cl 59294511 RZESVQXEQPCBSL-UHFFFAOYSA-N 376.865 4.928 0 40 GJAB COc1ccc(-n2nnc(-c3nc(-c4cc(C)ccc4C)cs3)c2C)cc1 67341654 IRBSBBINMFVTRF-UHFFFAOYSA-N 376.485 4.992 0 40 GJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)C1 77200233 NFORMYRNCWNIAV-ZIAGYGMSSA-N 378.881 4.691 0 40 GJAB CC(C)c1ccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2)cc1 95946957 JQFRSAZOHRIFSW-UHFFFAOYSA-N 377.893 4.737 0 40 GJAB O=C(O)CCC/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 96861789 HCCVEVXBUSBGBR-QINSGFPZSA-N 381.453 4.863 0 40 GJAB O=C(Nc1c(NCc2ccccc2)c2ccccc2oc1=O)c1ccc(F)cc1 101094722 CHPVCYMNNVIUKI-UHFFFAOYSA-N 388.398 4.797 0 40 GJAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 222755806 GDWOWOQKGGKPAE-YADHBBJMSA-N 384.508 4.628 0 40 GJAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223076909 HGRJNYMOASONFY-HXUWFJFHSA-N 377.937 4.790 0 40 GJAB COc1cc(C)c([C@H](C)NC(=O)CCc2ccc3c(c2)OCCO3)cc1C(C)C 223369071 YECSAMSRMFNZCY-KRWDZBQOSA-N 397.515 4.708 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1C 223942780 LTRPJCXLTWTAMH-RBUKOAKNSA-N 381.516 4.533 0 40 GJAB O=C(CSCc1c(F)cccc1Cl)Nc1nnc(-c2ccccc2)s1 224049022 BTRBUDKBZPXPPW-UHFFFAOYSA-N 393.896 4.870 0 40 GJAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)N1CCCC1 225326783 USWTZCYVSQYORV-UHFFFAOYSA-N 391.298 4.801 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(OC)c(OC)c1 225720648 POHQJYVMKCXPJU-GOSISDBHSA-N 388.533 4.929 0 40 GJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3cc(C)cs3)CC2)n1 257276524 NUCJQXGMLMLCKQ-UHFFFAOYSA-N 395.528 4.997 0 40 GJAB Cc1cc(Br)ccc1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 408554407 DURZPYZRTFJYNL-UHFFFAOYSA-N 392.252 4.810 0 40 GJAB Cc1cccc2c1CCCN2C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 603853186 ZQAKBLMYGPINKC-UHFFFAOYSA-N 394.478 4.836 0 40 GJAB CCC(C)(C)NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 1342687 KKJRAZFKWSGUMI-UHFFFAOYSA-N 379.529 4.618 0 40 GJAB CCCc1nc(SCC(=O)Nc2ccc(OCC)cc2)c2ccccc2n1 1342741 TUHBIPKBUYREKJ-UHFFFAOYSA-N 381.501 4.712 0 40 GJAB CCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(C)c1)Nc1ccccc1-2 2093095 URLLMKCYMKUJRC-LJQANCHMSA-N 394.500 4.861 0 40 GJAB COc1ccc(C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)cc1 2367541 BTUMILXXNREDNA-UHFFFAOYSA-N 384.815 4.553 0 40 GJAB CCOc1ccc(C(C)=O)cc1CSc1nnc2c(Cl)cc(Cl)cn12 2619762 ITYLGSATVOTJHL-UHFFFAOYSA-N 396.299 4.930 0 40 GJAB Cc1cccc(N(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)n1 3241560 UBOCKIINCLGOBD-UHFFFAOYSA-N 376.412 4.870 0 40 GJAB Cc1ccc(-c2cc(C(F)F)nc(N3CCN(c4ccccc4)CC3)n2)cc1 4762816 DIGNWOGFTKTMED-UHFFFAOYSA-N 380.442 4.716 0 40 GJAB C[C@@H]1C[C@@H](C)CN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCCC3)C1 4980639 PQWHZHVYVLVXAX-HZPDHXFCSA-N 378.495 4.897 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc4c(c3c2)C(=O)CCC4)cc1 5214431 HBQMPSXTWUKRFC-UHFFFAOYSA-N 389.860 4.714 0 40 GJAB COC(=O)c1cc(-c2ccccc2)nn1-c1nc(-c2ccc(F)cc2)cs1 5243682 WVUJXJMKIVPSBH-UHFFFAOYSA-N 379.416 4.589 0 40 GJAB Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCCCC1=O 5441374 ZHDSTNDWCSSQQM-UHFFFAOYSA-N 387.277 4.527 0 40 GJAB CCN(CC)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 6564562 XRLSYPGPSDNTGV-UHFFFAOYSA-N 388.924 4.793 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1C(F)(F)F 6586433 BNEFUQKHPFWCNJ-CKEIUWERSA-N 386.410 4.866 0 40 GJAB CCOC(=O)C1=C(C)N=C2SC=C(C)N2[C@@H]1c1cccc(Br)c1 6891648 DLTKJNCFOAAJAS-OAHLLOKOSA-N 393.306 4.607 0 40 GJAB O=C1CCCC[C@@H]1Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 7564644 IGIYMHBJTOJOLI-KRWDZBQOSA-N 396.537 4.540 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1 7601272 GMUVUBAWIDVTJG-UHFFFAOYSA-N 388.924 4.869 0 40 GJAB COc1cc(CNC2CC(C)(C)NC(C)(C)C2)ccc1OCc1ccccc1 8775644 CXJNPNPMMLSICP-UHFFFAOYSA-N 382.548 4.673 0 40 GJAB O=C(CSCc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 10611869 ZLZBKRDOAYMYEJ-KRWDZBQOSA-N 398.553 4.742 0 40 GJAB Cc1cc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)c(C)o1 11835536 WGHKZEWBFZWNLP-UHFFFAOYSA-N 397.378 4.696 0 40 GJAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1 12525548 MNUPAGSEYPCIKA-HOTGVXAUSA-N 379.529 4.973 0 40 GJAB Cc1ccc2c(C)c(CCC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)c(=O)oc2c1 12728895 LMYZGUPKNPKMDW-HNNXBMFYSA-N 399.437 4.840 0 40 GJAB CC(C)c1ccc(-c2nnc(NC(=O)c3ccc(Br)o3)s2)cc1 12809026 QPOHDLQMKMIFNJ-UHFFFAOYSA-N 392.278 4.936 0 40 GJAB O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccccc1-c1ccccc1 14085256 ZLIKCJGCBCTXBC-UHFFFAOYSA-N 392.528 4.935 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H](c1ccccc1)N(C)C 16599880 GJNBMOQLJIGWHN-SFHVURJKSA-N 399.947 4.805 0 40 GJAB CC(C)NC(=O)CC1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCC1 16960937 CKKVKWDYXFTONI-UHFFFAOYSA-N 390.833 4.772 0 40 GJAB Clc1cccc(-n2ncc3c(NCCc4c[nH]c5ccccc45)ncnc32)c1 17200819 LSIXLZHOCBZESP-UHFFFAOYSA-N 388.862 4.605 0 40 GJAB CN(C)[C@@H](CNC(=O)c1cc2c(s1)-c1ccccc1CC2)c1cccs1 17796002 QZKRMMJZKRCOCQ-KRWDZBQOSA-N 382.554 4.608 0 40 GJAB Cc1ccccc1[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccccc1 20492457 DARNAGDUTKRCGO-OAQYLSRUSA-N 385.916 4.857 0 40 GJAB Cc1ccc(C(=O)C2CCN([C@H](C)c3nc(-c4ccco4)no3)CC2)c(C)c1 26644479 ORWXBRAVHGABHZ-MRXNPFEDSA-N 379.460 4.602 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCc2ccccc21 29482873 FOZCVZSYQCAHBM-QGZVFWFLSA-N 382.813 4.917 0 40 GJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)COc1ccc(Cl)c(Cl)c1 29787196 UKLJGUOKHJMMMI-SFHVURJKSA-N 381.303 4.855 0 40 GJAB COc1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 29911719 OOXXXOHULCREDY-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1cnc2c(-c3ccccc3)cnn2c1C 38829581 JBNQNFBWDSHENF-UHFFFAOYSA-N 392.846 4.619 0 40 GJAB CC(C)(C)C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1ccc(F)cc1 40122589 WEIRFUYXJUSBGP-INIZCTEOSA-N 375.488 4.733 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)n(C2CCCCC2)c1C 48325829 VBOVKSMTCRJQPC-INIZCTEOSA-N 389.569 4.902 0 40 GJAB COc1ccc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1NC(C)=O 50027781 VMQLEFWTAHYKMC-UHFFFAOYSA-N 389.864 4.616 0 40 GJAB Cc1ccc2nc([C@@H]3CCCN(C(=O)[C@H](C)Sc4ccccc4)C3)[nH]c2c1 58196824 WBUQSMIOXQUHEK-DLBZAZTESA-N 379.529 4.758 0 40 GJAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cccc(C)c1C 82086484 ZTUASSOBQUQPQZ-QFIPXVFZSA-N 391.515 4.806 0 40 GJAB CC(C)[C@@H](C(=O)Nc1cccc2c1ccn2C(C)C)N1Cc2ccccc2C1=O 95480844 CZUAEJLYKJJLPY-QFIPXVFZSA-N 389.499 4.841 0 40 GJAB O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cnccc1N1CCCCC1 95958972 GOSFNDVZUSBKLU-UHFFFAOYSA-N 396.878 4.562 0 40 GJAB Fc1cccc(-c2ccc3nc(C4CCN(Cc5ccoc5)CC4)nn3c2)c1 96038195 ZKBNYKLCAKFPST-UHFFFAOYSA-N 376.435 4.508 0 40 GJAB CCOc1ccccc1[C@@H]1C2=C(O)C[C@H](c3ccccc3)CC2=Nc2ncnn21 102591644 JPURMFOAEPRBKD-OPAMFIHVSA-N 386.455 4.742 0 40 GJAB CC(C)c1noc([C@@H](C)N2CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C2)n1 105726743 MUTVRXGSUWLRKX-IAGOWNOFSA-N 394.560 4.612 0 40 GJAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CCCN1C(=O)c1cccs1 108617212 QFJLQRCIFMIGLQ-KRWDZBQOSA-N 390.464 4.891 0 40 GJAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccccc2Cl)cc1)C(=O)O 169259268 ITUMSYJPDSNSNQ-KRWDZBQOSA-N 375.852 4.527 0 40 GJAB COc1ccc(NC(=O)N2CCS[C@H](c3ccccc3F)CC2)cc1OC 219138643 HVNPYEVZAYKDNJ-IBGZPJMESA-N 390.480 4.555 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc3ccccc3c1)CC(C)(C)O2 222837727 BBPDKEBOJJRQBF-NRFANRHFSA-N 391.467 4.646 0 40 GJAB CCCOCc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OC 224414299 ROAHPKIDVGBSIC-UHFFFAOYSA-N 396.256 4.776 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2c(C)cc(C)cc2C)cc1 224689254 ALEKDACARXYDOG-STZFKDTASA-N 388.467 4.923 0 40 GJAB COc1ccc(C2(C(=O)Nc3ccc(OC4CCCC4)cc3)CCOCC2)cc1 225583828 FNOJWADWNRZLKH-UHFFFAOYSA-N 395.499 4.704 0 40 GJAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(C(F)(F)F)cc1 225740406 APGBONQICCKLHQ-AWEZNQCLSA-N 393.478 4.833 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCC)c(C(=O)OCC)c2)CCC(C)CC1 225856555 OHYFLYBYMDAGFU-UHFFFAOYSA-N 391.508 4.576 0 40 GJAB CCOC(=O)COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 225933029 OVIWDOPQJUTRAP-UHFFFAOYSA-N 395.499 4.778 0 40 GJAB O=S(=O)(O)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc3cccc1c32 226249504 DBGMUUUMKLCINQ-UHFFFAOYSA-N 393.251 4.937 0 40 GJAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1CCCCC1 226330400 MHBCCEWWWJLKFM-UHFFFAOYSA-N 388.309 4.582 0 40 GJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1 409094560 DRZWKZLVSFSHLU-UHFFFAOYSA-N 385.920 4.907 0 40 GJAB Cc1cccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)cc2)c1 409205624 DFIVSYASRQJPOF-HZHRSRAPSA-N 398.462 4.667 0 40 GJAB O=C(N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)c1cc(=O)c2ccccc2[nH]1 568200716 JTGVNEHVEDJIGN-NVXWUHKLSA-N 380.875 4.638 0 40 GJAB CSc1ccc(/C=C/C(=O)NC[C@@H](c2ccsc2)n2nc(C)cc2C)cc1 618255362 BOEUQJKIXSUGCY-ZGBFETHSSA-N 397.569 4.702 0 40 GJAB CC(=O)N1CCCCCCCN(C(=O)Cc2ccccc2)Cc2ccccc21 643588961 OETJWNPISUIJHE-UHFFFAOYSA-N 378.516 4.575 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)c1csc(-c2ccccc2)n1 1775968809 LVHZQALJQTWKPU-HNNXBMFYSA-N 396.493 4.595 0 40 GJAB O=C(CC1=CCCCC1)N1CCC2(CCC(CC(=O)N3CCCC3)CC2)CC1 2055824358 FOEAPYVITDEOOU-UHFFFAOYSA-N 386.580 4.688 0 40 GJAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1cccc(C)c1 706920 CTRUZDOXPJXKGG-UHFFFAOYSA-N 395.480 4.918 0 40 GJAB CCCc1cc(-c2onc(C)c2-c2ccc(C(=O)OCC)o2)c(O)cc1OC 1504602 IWCWQQFBNYRLMT-UHFFFAOYSA-N 385.416 4.753 0 40 GJAB biogenic O=C(Nc1ccc(F)cc1F)c1cccc(-c2cc3ccccc3oc2=O)c1 2405321 SJJDVEKKGFJZFE-UHFFFAOYSA-N 377.346 4.991 0 40 GJAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 2488044 ARALTDJIGJRMAW-DEOSSOPVSA-N 379.500 4.591 0 40 GJAB CC(=O)Oc1cccc(/C=C2/N=C(c3ccc(Oc4ccccc4)cc3)OC2=O)c1 3236560 GWAJFEUOCONMCK-PXLXIMEGSA-N 399.402 4.749 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1F 3399972 NBIFIMBIUZZJGU-UHFFFAOYSA-N 395.349 4.573 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)NCc3ccc(F)cc3)cccc2c1=O 3459138 SMTFEGRGNAHJJG-UHFFFAOYSA-N 387.410 4.838 0 40 GJAB COc1cccc(C2=N/C(=C\c3ccccc3OCc3ccccc3)C(=O)O2)c1 4673297 QHFIAPGQHJWVGG-QNGOZBTKSA-N 385.419 4.619 0 40 GJAB CCOc1cc(OCC)c(/C=C2\C(=O)Nc3ccccc32)cc1Br 4690170 AIYPYZZIPRKJAZ-ZROIWOOFSA-N 388.261 4.739 0 40 GJAB Cc1occc1-c1nnc(SCc2ccc3c(c2)OCO3)n1-c1ccccc1 4843399 KNFNZLYWLSZYOU-UHFFFAOYSA-N 391.452 4.857 0 40 GJAB O=C(CCSCc1ccc(Cl)c(Cl)c1)NCc1ccc2c(c1)OCO2 4983077 YEFFVLCDOXLTGT-UHFFFAOYSA-N 398.311 4.662 0 40 GJAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1C 5019851 YXQLDWJERDLDBC-UHFFFAOYSA-N 391.467 4.601 0 40 GJAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(Oc2ccccc2)cc1 5323285 AQRLKWGXRZHGNF-UHFFFAOYSA-N 399.450 4.608 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 6468267 GZLLUFUUOFHFEG-CKEIUWERSA-N 398.532 4.602 0 40 GJAB COc1cc2sc(NC(=O)COc3cccc(C)c3C)nc2cc1Cl 6479138 GGJUREVIRVCKMA-UHFFFAOYSA-N 376.865 4.593 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@@H]3CCCC[C@@H]3C)c2n1 6547126 URMJRJFLOISXIV-MEDUHNTESA-N 381.303 4.924 0 40 GJAB COc1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc(OC)c1 6789153 XGZABECKUJBSNL-UHFFFAOYSA-N 388.876 4.662 0 40 GJAB Cc1c(C(=O)Nc2ccc(Br)cc2)nnn1-c1ccc(C(C)C)cc1 6816612 RQHVIDRSZKHPEK-UHFFFAOYSA-N 399.292 4.714 0 40 GJAB Cc1cc(C(=O)COc2ccc(Cl)cc2Cl)c(C)n1C[C@H]1CCCO1 6903130 VBOXXBYXXUVTHI-OAHLLOKOSA-N 382.287 4.852 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)OCc1cn2cc(Cl)ccc2n1 6934886 FQXWORUHECIHTL-UHFFFAOYSA-N 383.860 4.777 0 40 GJAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 7072423 PFCTZARBSYPJHL-IEBWSBKVSA-N 394.515 4.979 0 40 GJAB COc1ccc(N(CC(=O)c2ccc(OC)cc2F)C2=NCCCCC2)cc1 7275536 RZDCYNMJTIKXHA-UHFFFAOYSA-N 384.451 4.505 0 40 GJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C)ccc3C)c2)c1 8180693 JKDKNFLFNJYRRT-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1cc2ccccc2o1 8239153 ZMRFNNXFXCWNIF-OLZOCXBDSA-N 388.261 4.840 0 40 GJAB O=C(NCCCSc1ccccc1)c1cc(C2CC2)nn1-c1ccccc1 8345568 KGPIZQNFAATQLY-UHFFFAOYSA-N 377.513 4.662 0 40 GJAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)Nc1cccc(F)c1 8854044 ABQWXNTXYCBUBM-UHFFFAOYSA-N 376.453 4.895 0 40 GJAB O=C(NCCSc1ccc(Br)cc1)Nc1ccc(F)cc1F 9376984 NAAMXJZPNIHQAH-UHFFFAOYSA-N 387.249 4.641 0 40 GJAB O=C(NCC1CC1)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12366509 FQUOORKYAZAEEP-UHFFFAOYSA-N 389.495 4.965 0 40 GJAB COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cnn(-c3ccccc3)c2)c1 12549191 ZAMXXLPIMZBKST-HSZRJFAPSA-N 396.450 4.652 0 40 GJAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3)C[C@H]21 12661116 CBDXQNJHOXWFAA-XXBNENTESA-N 378.472 4.524 0 40 GJAB biogenic CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2ccco2)n1 12738930 VMBRGRGQMHSTCT-UHFFFAOYSA-N 395.406 4.669 0 40 GJAB Cc1cc(Cl)ccc1Nc1nc(NCCc2ccccc2)nc2nccnc12 13010897 SNBRDTJWUGKFMZ-UHFFFAOYSA-N 390.878 4.780 0 40 GJAB CCCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 13578957 QFSRFVYFSRRSRY-IBGZPJMESA-N 396.512 4.548 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13685276 NNMWSXVJMGXRRM-IRXDYDNUSA-N 390.483 4.774 0 40 GJAB CCCCOc1ccccc1C(=O)Nc1ccc(I)cc1 14031985 RWJNSQPMYYHZFG-UHFFFAOYSA-N 395.240 4.722 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1Cl 14068062 CYFFFXQLHXKQJR-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB CC1CCC(N(C)C(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)CC1 14077843 ANTQZMYOOXJSEG-ADKAHSJRSA-N 385.577 4.513 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 14582476 SHSADIDVGLLJEU-CQSZACIVSA-N 385.514 4.545 0 40 GJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 14899898 YUVMYYMQARQPSD-HNNXBMFYSA-N 391.298 4.543 0 40 GJAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc(Cl)c3C)ccc12 15393235 GBTMVSOAFGPUFT-ZDUSSCGKSA-N 385.847 4.723 0 40 GJAB COc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc(OC)c1OC 15540096 FMVFCEWTDFOEJR-UHFFFAOYSA-N 389.757 4.637 0 40 GJAB CC(=O)c1cccc(-n2c3c(c(SCc4ccc(C)cc4)nc2=O)CCC3)c1 15840523 OXBJBJGYMRLLJX-UHFFFAOYSA-N 390.508 4.525 0 40 GJAB Cc1nc2c(sc3ccccc32)c(=O)n1CC(=O)Nc1ccc(C(C)C)cc1 16841893 ZPIPDHMNTQKUCJ-UHFFFAOYSA-N 391.496 4.682 0 40 GJAB COc1ccccc1-c1noc(CCCC(=O)Nc2cc(Cl)ccc2C)n1 19816367 WCFMZWKVMCNAIC-UHFFFAOYSA-N 385.851 4.668 0 40 GJAB CCCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1CC 20033957 JKNGRLBMPLWVSC-UHFFFAOYSA-N 380.517 4.708 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1Cl 20486331 HRHSNCLXDBVKHM-NSHDSACASA-N 382.243 4.576 0 40 GJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(-n2ccnc2)cc1 23889961 ZYNMHODUXWKFLH-UHFFFAOYSA-N 378.432 4.696 0 40 GJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@@H](O)c1ccccc1 24591256 IPHTUKOHIDOKNZ-XMMPIXPASA-N 383.495 4.705 0 40 GJAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1cccc(-c2nnco2)c1 24736499 OWYPSIWPXAOVHT-UHFFFAOYSA-N 394.434 4.997 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCCN(C(=O)C(C)C)C3)ccc21 24975222 IWIHBWWRWLIVKZ-KRWDZBQOSA-N 391.515 4.648 0 40 GJAB CC1(C)C[C@H]([C@@H](CCNCc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 26532606 PWNDMUMGAWMMEF-FCHUYYIVSA-N 395.543 4.959 0 40 GJAB Cc1nc(C)c2c(C)c(C(=O)N[C@H]3CCSc4c(F)cccc43)sc2n1 28044773 WSYAFQWJGJOJON-AWEZNQCLSA-N 387.505 4.723 0 40 GJAB Cc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2)c1 28527927 MKNARRSFMAATII-UHFFFAOYSA-N 375.476 4.552 0 40 GJAB CCOc1c(Cl)cc(C(=O)Nc2cccc(CN(CC)CC)c2)cc1OC 31538429 FXTHVAHBIIQFPK-UHFFFAOYSA-N 390.911 4.841 0 40 GJAB O=C(N[C@@H](c1ccccc1)C1CCCCC1)C1CCN(C(=O)c2ccoc2)CC1 31798197 HGPWOXYNMJUIBI-QFIPXVFZSA-N 394.515 4.570 0 40 GJAB COc1cccc(Nc2nnc(SC[C@@H](O)c3ccc(Cl)cc3)s2)c1 32906267 DOSHGRMLRVHJSO-OAHLLOKOSA-N 393.921 4.769 0 40 GJAB Cc1nn(C)cc1/C=C1\C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 38290822 WEMMMOPGBRUKBZ-XNLVUTAESA-N 392.543 4.823 0 40 GJAB COc1ccc(NC(=O)[C@@H](NCc2cccs2)c2ccccc2)cc1Cl 57024551 QTECOGXLLVSZKI-IBGZPJMESA-N 386.904 4.880 0 40 GJAB COc1ccc(NC(=O)CN[C@H](C)c2ccc(-c3ccccc3)cc2)c(OC)c1 57383513 VGRYNSYRMHTZRT-QGZVFWFLSA-N 390.483 4.660 0 40 GJAB O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 63114055 GGDFFROIMYFVKK-GFCCVEGCSA-N 381.328 4.688 0 40 GJAB O=C(Nc1c(F)cc(F)cc1-c1ccccc1)c1csc(-c2ncccn2)n1 67494734 CGXCUMCLELJZOT-UHFFFAOYSA-N 394.406 4.798 0 40 GJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2Cc2ccc(F)cc2)n1 72354579 YOFASTUGAPZADU-IBGZPJMESA-N 382.870 4.855 0 40 GJAB CS[C@H]1CC[C@H](N(C)C(=O)c2oc3ccc(Br)cc3c2C)C1 78934073 WRZKMBVTXLMZTE-STQMWFEESA-N 382.323 4.860 0 40 GJAB COC1CCN(c2ccc(NC(=O)CCc3c(F)cccc3Cl)cc2)CC1 96104477 KJESAOWODZYWRR-UHFFFAOYSA-N 390.886 4.666 0 40 GJAB CC(C)[C@@H](C)NC(=O)c1cnc(-c2noc3cc(-c4ccncc4)ccc23)s1 96266564 GLNKXSAPFXESAS-CYBMUJFWSA-N 392.484 4.788 0 40 GJAB CCOCCn1/c(=N/C(=O)Cc2ccc(C(C)C)cc2)sc2ccccc21 101143274 VRPZORRAKRZCGC-FCQUAONHSA-N 382.529 4.533 0 40 GJAB CCOC(=O)c1sc(C(F)(F)F)cc1-c1c(C)nn(-c2ccccc2)c1O 101455976 DLHWRVCPBIYVEG-UHFFFAOYSA-N 396.390 4.810 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1cccc(OC)c1 216365262 RULQPLATFXUIJZ-HSZRJFAPSA-N 377.484 4.755 0 40 GJAB COC(=O)c1cc2cc(NC(=O)c3cc(-c4ccccc4)on3)ccc2s1 224065268 FMMVILCTRCYJOU-UHFFFAOYSA-N 378.409 4.595 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)c1 225434567 VODSQRKHHHLEJR-QGZVFWFLSA-N 391.467 4.774 0 40 GJAB COc1ccc(NC(=S)NCCCSC2CCCCC2)c2cccnc12 225592391 UJYLLSRMRRRECD-UHFFFAOYSA-N 389.590 4.986 0 40 GJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225799956 SQYJYESQONEVBQ-YCRPNKLZSA-N 379.497 4.574 0 40 GJAB CC(C)(C)C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Br 226287452 IYNJHXCCOCMTJR-UHFFFAOYSA-N 387.277 4.594 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)cc1 408697981 KPHQEIHWKODZLL-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1ccc(-c2nnc(CN(C)C(=O)Cc3ccc(-c4ccccc4)cc3)o2)cc1 408714048 HJGHVWQNSUBHBM-UHFFFAOYSA-N 397.478 4.913 0 40 GJAB Cc1ccccc1CSCCNC(=O)CSCc1cccc(Cl)c1 409026057 DYLFSIOJMOLSBZ-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)c1 409168900 NMKSNNMPPJEGMB-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB COc1ccc([C@H]2C[C@@H]2[C@H](C)N[C@H]2c3ccccc3CC23CCOCC3)cc1 582516996 QPPAQCVDBCCURY-YABBVRICSA-N 377.528 4.871 0 40 GJAB Cc1ccccc1-n1nc(C)c(CN(C)C(=O)c2cccc3c2ccn3C)c1C 588849191 DQLOZRUHMBLTQW-UHFFFAOYSA-N 386.499 4.561 0 40 GJAB Cc1ccccc1[C@@H](C)N(CC(C)C)S(=O)(=O)c1ccc(C)c(N(C)C)c1 1661943563 STPRMURVQPPYKM-LJQANCHMSA-N 388.577 4.777 0 40 GJAB Cc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCC2 722308 ATXFOQFFZGGCHI-UHFFFAOYSA-N 390.508 4.979 0 40 GJAB CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cccc(F)c4)n3)ccc21 1366602 DCKNMGNGUDIOAD-UHFFFAOYSA-N 395.459 4.501 0 40 GJAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(N3CCc4ccccc4C3)ncc21 2411987 DGFCWKWYUBYITF-SFHVURJKSA-N 389.886 4.605 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(NC2CCCCC2)s1 3259077 PSKUYPCMZJZLJE-UHFFFAOYSA-N 396.969 4.975 0 40 GJAB O=C(/C=C/c1cccs1)OCC(=O)N(C1CCCCC1)C1CCCCC1 3271844 GQKQGZGYIOGYKG-BUHFOSPRSA-N 375.534 4.799 0 40 GJAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F 3313776 MOJXCQGMNVVFDK-KRWDZBQOSA-N 397.277 4.916 0 40 GJAB COc1ccc(C)cc1NC(=O)CCCOc1ccc(Br)cc1 3567204 ZCOKPLXJBDQFRB-UHFFFAOYSA-N 378.266 4.564 0 40 GJAB CCC(=O)c1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 4671780 MATVOKBMDVSRGQ-UHFFFAOYSA-N 385.769 4.969 0 40 GJAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NCc4ccccc4)c(C)c3cc2c1C 4744028 IMZODIWUDRQOLD-UHFFFAOYSA-N 389.451 4.632 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 4815074 GJZNARPKLDPRHB-OALUTQOASA-N 380.879 4.655 0 40 GJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)cc1OC 5158139 FKRPXPXSMAVQSM-ZTCOLXNVSA-N 399.506 4.711 0 40 GJAB CCCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 6552640 MOOPWIBTRFUIRG-BOPFTXTBSA-N 386.245 4.582 0 40 GJAB C[C@@H]1CCc2onc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c2C1 6851913 RGHBBJPXTNHAMG-HCVBEMKVSA-N 397.544 4.976 0 40 GJAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1cc(F)ccc1F 6947841 JBURMFJYBVBRDO-UHFFFAOYSA-N 393.817 4.612 0 40 GJAB CCOc1ccccc1C[C@H]1SC(=O)N(Cc2ccc(Cl)cc2)C1=O 6965322 ADFSGWDRDLJMSB-QGZVFWFLSA-N 375.877 4.545 0 40 GJAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)o1 7194422 VEQIPOREESIERP-UHFFFAOYSA-N 397.456 4.673 0 40 GJAB Cc1nn(-c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)c(C)c1Cl 8025478 FOIYNSISNZYLFM-UHFFFAOYSA-N 394.906 4.995 0 40 GJAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3C)c2)c1 8207664 JVYPDLXRWSMYPD-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(CNC(=O)c2sc(NC(=O)Nc3cccc(C)c3)nc2C)cc1 8770962 MDMMREIZYVIPBU-UHFFFAOYSA-N 394.500 4.642 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1cccc(Cl)c1N1CCOCC1 9427030 LYOIKYQAINLOHP-UHFFFAOYSA-N 396.874 4.591 0 40 GJAB COc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCCC3)n2)cc1 10213479 LZJKYRHCFCHRQE-UHFFFAOYSA-N 396.882 4.621 0 40 GJAB O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1 12376630 ARNVCCCCJQCVJT-UHFFFAOYSA-N 375.859 4.668 0 40 GJAB O=C(NCc1ccc(Cl)cc1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 12376873 RVHPGAVHMBZRQA-UHFFFAOYSA-N 388.854 4.987 0 40 GJAB COc1ccccc1N(C(=O)Nc1ccc(Cl)cc1)C1=NC[C@@H](C)S1 12418125 NLQXDPTXESXYCX-GFCCVEGCSA-N 375.881 4.878 0 40 GJAB C[C@H](O)CN(Cc1cccc(-c2cccc(F)c2)c1)Cc1ccc2c(c1)OCO2 13991946 IZIWBPAAHSPDMZ-KRWDZBQOSA-N 393.458 4.604 0 40 GJAB CC(=O)c1ccc(N2CCN(C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)CC2)cc1 14070953 HHZBJVJYJBLOCT-QFIPXVFZSA-N 398.934 4.631 0 40 GJAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)cs2)cc1 14181328 FNSVPTKEOVKFTQ-ZDUSSCGKSA-N 386.904 4.892 0 40 GJAB Cc1cc2ccccc2n1CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 14671154 VJJPUGVBYHPCFC-UHFFFAOYSA-N 383.423 4.990 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2F)CC1 20460105 RFZHCUWWXHUGOZ-LJQANCHMSA-N 392.927 4.699 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2-n2ccnc2C)cc(C)c1Cl 20491032 OWLKZICCUYNDIB-INIZCTEOSA-N 397.906 4.535 0 40 GJAB O=C(C[C@@H]1C=CCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 20917552 QMJODAKGXSXGDV-GOSISDBHSA-N 396.481 4.555 0 40 GJAB Cc1nc2sc([C@H](c3ccccc3Cl)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 22626522 DMOMWXGJLHUGAR-MKBNYLNASA-N 390.940 4.526 0 40 GJAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1cccs1 26403166 NXVJHJPIDCPBCK-UHFFFAOYSA-N 376.525 4.941 0 40 GJAB Cc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCCCC2)cc1 27662129 ISDGSGFFQKAUDJ-HSZRJFAPSA-N 380.532 4.739 0 40 GJAB O=C(Nc1ccccc1Cl)c1ccc(Cn2cc(Br)cn2)cc1 27969782 AWBRCTTVLXBCAJ-UHFFFAOYSA-N 390.668 4.600 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2cnn(Cc3ccccc3F)c2)c1 28303613 TZPLUYZUSRXOAG-UHFFFAOYSA-N 375.856 4.698 0 40 GJAB CCC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2ccc3ccccc3c2)cc1 28919631 DRHLEGUHSPKJRN-VGSWGCGISA-N 377.484 4.523 0 40 GJAB CSc1ncccc1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 32903650 GSABGLZJTWZLHM-UHFFFAOYSA-N 376.787 4.650 0 40 GJAB Cc1ccc(C(=O)CCC(=O)CCC(=O)N(C)[C@@H]2CCc3ccccc32)s1 36837600 WVWCTOOFBGZGNO-LJQANCHMSA-N 383.513 4.515 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(N2CCCCC2=O)c1 38698855 GTMYEKZUPWFMSU-UHFFFAOYSA-N 377.366 4.866 0 40 GJAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1cc(Cl)ccc1Cl 45889067 LXMXMANCXMNOCC-UHFFFAOYSA-N 381.288 4.758 0 40 GJAB Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 46078947 PNVYKMQUWPSEFB-UHFFFAOYSA-N 388.442 4.979 0 40 GJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NCC1CCCC1 47013552 LUOFDEIPLZSMSQ-KRWDZBQOSA-N 379.504 4.832 0 40 GJAB C[C@@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)c2ccccc2S1 48236047 CAEDWEWJCPEJBN-GFCCVEGCSA-N 382.407 4.554 0 40 GJAB CN(C)Cc1ccccc1NC(=O)CCc1nc2ccccc2n1-c1ccccc1 52665901 ZIMBATNQNRWKKB-UHFFFAOYSA-N 398.510 4.658 0 40 GJAB CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc3c(F)cccc3[nH]2)cc1 53471607 ZUBBXHATLLXDNR-AWEZNQCLSA-N 396.466 4.672 0 40 GJAB Cc1cc(NC(=O)[C@@H](Nc2cccc(Br)c2)c2ccccc2)no1 53780634 RCDJJWPVVYPQFP-KRWDZBQOSA-N 386.249 4.537 0 40 GJAB CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1 67296028 VILNEBWWQKBOPT-ATJXCDBQSA-N 391.452 4.773 0 40 GJAB COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)cn1 67296455 NZUZOPBRFHRBQJ-BZZOAKBMSA-N 385.423 4.630 0 40 GJAB COc1ccc([C@@H](NC(=O)c2c[nH]c3ccc(Br)cc23)C2CC2)cc1 83937903 SZSXNZZASLZPTC-IBGZPJMESA-N 399.288 4.820 0 40 GJAB CC(C)(C)[C@H]1CCc2sc(-c3nnc(SCCn4cccn4)o3)cc2C1 89642972 XZURVZHSINHTMG-AWEZNQCLSA-N 388.562 4.938 0 40 GJAB O=C(Nc1ccccn1)N1C(=O)/C(=C(\O)c2cccs2)c2cc(Cl)ccc21 100944312 XIFOBLZSPRXXOE-MSUUIHNZSA-N 397.843 4.802 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1Cl 219531864 UKKCGGPLSGADLL-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB S=C(NCCCc1ccccc1)Nc1ccc(N2Cc3ccccc3C2)nc1 223964132 QQCPGGZUXANQJP-UHFFFAOYSA-N 388.540 4.521 0 40 GJAB CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224955459 FJDFUDCJALMJED-UHFFFAOYSA-N 394.707 4.871 0 40 GJAB Cc1ccc(CCCNC(=S)Nc2ccc(Br)cc2F)cc1 225388456 BCGXXTQAMQRYTI-UHFFFAOYSA-N 381.314 4.816 0 40 GJAB CCOc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 225683310 YTLUQHCKGXMLPV-SFHVURJKSA-N 386.517 4.683 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225721861 SFHHTUGAQAMIOF-KRWDZBQOSA-N 381.501 4.926 0 40 GJAB CCSc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@@H](c2nc(C)no2)C1 238820291 CMJMCBROCRMITN-OALUTQOASA-N 393.512 4.513 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CCC(Cc3ccccn3)CC2)cc1 257285435 PHBQKOHKSOUUNG-UHFFFAOYSA-N 386.495 4.902 0 40 GJAB O=C1N/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1C1CCCCC1 409077551 GAFNWTBEPSTFEL-ZHZULCJRSA-N 394.446 4.630 0 40 GJAB CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1 409104396 YWBNKLHOGWKAGX-UHFFFAOYSA-N 386.908 4.739 0 40 GJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Cl)c1Cl 628593 KKAQHCPNQGCELR-KRWDZBQOSA-N 388.254 4.805 0 40 GJAB Cc1cc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1Cl 646320 IZRIATUAOQQSON-UHFFFAOYSA-N 376.840 4.929 0 40 GJAB Cc1sc2ncn([C@@H](C)C(=O)OC(C)C)c(=O)c2c1-c1ccc(Cl)cc1 812683 OFRWSEFDIMQPGF-NSHDSACASA-N 390.892 4.599 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(Cl)cc2)cc1Cl 938184 IUPMJTLHBOERTQ-BCRSCGJKSA-N 378.255 4.885 0 40 GJAB COCc1cc(C)nc2sc(C(=O)Nc3ccc(Cl)cc3Cl)c(N)c12 974258 TXWAZUNEYMNYIP-UHFFFAOYSA-N 396.299 4.892 0 40 GJAB Cc1cccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3Cl)s2)c1 1379020 WEXSKUATSNYNNZ-UHFFFAOYSA-N 385.876 4.918 0 40 GJAB O=C(NCCCCCCNC(=O)c1ccccc1Cl)c1ccccc1Cl 2028865 NKUMUXKWMHIMPX-UHFFFAOYSA-N 393.314 4.714 0 40 GJAB CCc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1 2249283 GWEZIGVRWZKGCP-UHFFFAOYSA-N 388.471 4.674 0 40 GJAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)c2c(C)nn(-c3ccccc3)c2n1 2740988 JTYPXKHKJIYHFZ-UHFFFAOYSA-N 376.847 4.943 0 40 GJAB C[C@@H]1Sc2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2NC1=O 3371471 UECQDWAQHPJZBO-HNNXBMFYSA-N 388.492 4.962 0 40 GJAB COc1cccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1 4070814 RPDURHBBUGJWIL-UHFFFAOYSA-N 395.303 4.895 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 4699097 NKJSVGNHUYUISA-UHFFFAOYSA-N 394.496 4.530 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)COc1ccc(Cl)cc1Cl 5406240 TWXMKMSQWSXYAL-UHFFFAOYSA-N 381.284 4.641 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2ccc(C(C)C)cc2)NC(=S)N1 5446571 WNULKQMLYGFOSK-NRFANRHFSA-N 393.556 4.858 0 40 GJAB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCC3)c(C)n1Cc1ccco1 6083690 CLOYXVBOEBPYOY-UHFFFAOYSA-N 397.496 4.726 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O 6549345 MOVDGOJDCVIVQL-UHFFFAOYSA-N 399.535 4.517 0 40 GJAB COc1ccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1OC 6881090 VVFVOCCNMALCOZ-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(N4CCOCC4)cc3)ccc21 7504959 SVGVVTQYLGYTDI-UHFFFAOYSA-N 399.494 4.903 0 40 GJAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccccc1-c1ccccc1 7831144 MWQYORPZIYHUFY-UHFFFAOYSA-N 397.478 4.577 0 40 GJAB CC(C)[C@@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccc2c(c1)OCCCO2 7973659 XVCOTPMLEVAYHJ-HSZRJFAPSA-N 390.483 4.766 0 40 GJAB CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(C)n1 8303631 CAHHXDHLKODZLT-GFCCVEGCSA-N 398.359 4.932 0 40 GJAB O=C(CCc1nc2ccccc2[nH]1)Nc1ncc(Cc2ccc(Cl)cc2)s1 10895288 FXQLPRCNAMNPRA-UHFFFAOYSA-N 396.903 4.835 0 40 GJAB COc1cccc(-n2ccnc2SCc2nc(-c3ccccc3Cl)no2)c1 11205094 XWOKVTWXCIAARZ-UHFFFAOYSA-N 398.875 4.877 0 40 GJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(N2CCCCC2)cc1 11329560 GYAFSVQGXPAOKH-UHFFFAOYSA-N 375.472 4.903 0 40 GJAB CCCOc1cc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)nc(C)n1 11613261 GXHGVHUSTSZMKV-UHFFFAOYSA-N 398.413 4.848 0 40 GJAB Cc1cccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)c1C 11835126 NXTWKBCKRQZTFV-UHFFFAOYSA-N 397.475 4.723 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(-c2ccccc2)n1C 12656134 GSCFOBIGTCHCFF-NJAFHUGGSA-N 387.549 4.578 0 40 GJAB O=C(O)c1cc(S(=O)(=O)Oc2ccc(C3CCCCC3)cc2)ccc1Cl 13074513 TVNWIIDHTUHZAX-UHFFFAOYSA-N 394.876 4.854 0 40 GJAB COc1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)c(OC)c1 13098557 MQEZNFVXIBYWER-GOOCMWNKSA-N 393.574 4.645 0 40 GJAB FC(F)(F)[C@H]1CCCN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)C1 14185618 JUXSZLYQFNEANF-NSHDSACASA-N 388.484 4.709 0 40 GJAB CCCN1CCC(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 14242564 JBLBNYFVIPHKTB-QHCPKHFHSA-N 375.516 4.556 0 40 GJAB Cc1cc(C)cc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c1 17010700 HMEYEAHFGZGNBA-UHFFFAOYSA-N 399.903 4.847 0 40 GJAB CN(Cc1ccc(Br)s1)C(=O)CCCc1c[nH]c2ccccc12 21925450 SPZZNJZMFXOXQD-UHFFFAOYSA-N 391.334 4.973 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1cnn(Cc2cccc(F)c2)c1 28234528 XJGCBRARRFUTHW-UHFFFAOYSA-N 378.329 4.733 0 40 GJAB COC(=O)c1c(NC(=O)c2sc(-c3ccccc3)nc2C)sc2c1CCC2 28540196 KCFKHCKHVBIWBQ-UHFFFAOYSA-N 398.509 4.708 0 40 GJAB Cc1nc(NC(=O)c2ccccc2F)sc1-c1nc(-c2cccs2)no1 31815306 SCKPJTDAODDBPO-UHFFFAOYSA-N 386.433 4.621 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1C(F)(F)F 32755403 BIZKTODOWQMKTC-ZDUSSCGKSA-N 396.434 4.566 0 40 GJAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 33000567 AFBFJDZFEWPDRT-UHFFFAOYSA-N 389.477 4.515 0 40 GJAB Cc1ccc2c(c1)c(O)nc1c(C(=O)Nc3cccc(F)c3)sc(=S)n12 33251543 BIWVKQQVWIVWOJ-UHFFFAOYSA-N 385.445 4.684 0 40 GJAB O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(F)cc1 33326047 DKSMYCDBSHQJKZ-KRWDZBQOSA-N 397.475 4.518 0 40 GJAB CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 38510708 WGYQNFPABJCWNU-UHFFFAOYSA-N 375.472 4.792 0 40 GJAB COc1cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC 40096238 KWOHXMSNZREDKS-SNVBAGLBSA-N 399.274 4.902 0 40 GJAB Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccccc2)cc1 44086035 AJKJJUYANMVUGT-UHFFFAOYSA-N 391.540 4.952 0 40 GJAB O=C(NCc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44932078 WLHINEFFQRELHB-UHFFFAOYSA-N 395.305 4.661 0 40 GJAB CC(C)OC(=O)C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccccc1Cl 48253927 HSTOPMCAZPSWIS-MRXNPFEDSA-N 398.261 4.945 0 40 GJAB C[C@@H](c1ccccc1)n1cnnc1S[C@H](C)C(=O)Nc1ccccc1Cl 58018158 YSBQPPUODALHSO-UONOGXRCSA-N 386.908 4.660 0 40 GJAB CCOc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)cc1 67257077 AEOWPTPOHBXMIX-UHFFFAOYSA-N 397.475 4.721 0 40 GJAB C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)c(F)c1 68605490 UNIQTAHDEBNTBX-LJQANCHMSA-N 388.486 4.945 0 40 GJAB biogenic Cc1occc1-c1nnc(SC(c2ccc(F)cc2)c2ccc(F)cc2)n1N 68889310 FYKIGSKKJMAARR-UHFFFAOYSA-N 398.438 4.720 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2SC(C)(C)C)cc1 72217431 KGMWRFRWCYXVKW-SFHVURJKSA-N 390.574 4.806 0 40 GJAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1 72348659 SFPIZZNOODMDHB-LJQANCHMSA-N 390.458 4.916 0 40 GJAB Cc1ccsc1CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl 84257573 NVMWYXNDXWBMBJ-UHFFFAOYSA-N 399.825 4.887 0 40 GJAB Cc1nnc(-c2ccc(Br)cc2)n1-c1ccc(Br)cc1 84847503 ZOXUEIFDIFOFNO-UHFFFAOYSA-N 393.082 4.768 0 40 GJAB Cc1cccc(OCCc2nnc(NC(=S)Nc3ccccc3)s2)c1C 95116412 KGEPFKZZUAYFHX-UHFFFAOYSA-N 384.530 4.585 0 40 GJAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(N(C)c3ccccc3)cc2)cc1 95471649 FUTFAVKFXQFKHW-GOSISDBHSA-N 390.483 4.660 0 40 GJAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ncccc1C 96305759 BYMWCQAILQWOAW-UHFFFAOYSA-N 376.522 4.802 0 40 GJAB Cc1ccc(C)c(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)c1 100423205 UTQMWKQLDJBBBM-NHCUHLMSSA-N 379.573 4.785 0 40 GJAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2Cl)cc1 100745025 JEDVWJZXOSCSDV-WZBLMQSHSA-N 379.843 4.752 0 40 GJAB O=C(O)c1cc(=O)c(OCc2ccccc2)cn1-c1cccc(-c2ccccc2)c1 118885846 XVFQBCUOQOKXPY-UHFFFAOYSA-N 397.430 4.782 0 40 GJAB O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1cc2cc(F)ccc2s1 206773431 CMAGUAZQYZUDTF-HNNXBMFYSA-N 395.459 4.580 0 40 GJAB COc1ccc([C@H]2CCCCN(C(=O)c3cc(-c4cccs4)nn3C)C2)cc1 206883846 ANZZTUPXZZJAIQ-KRWDZBQOSA-N 395.528 4.567 0 40 GJAB Cc1c(Cl)cnc(NC(=S)N[C@@H](C)c2ccccc2)c1Br 223955767 OSJKXDFENHRSLK-JTQLQIEISA-N 384.730 4.854 0 40 GJAB COc1cccc(NC(=O)c2ccc(OC)c(COCc3ccccc3)c2)c1 224461752 SWLXXHPWYRZVKH-UHFFFAOYSA-N 377.440 4.673 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)C1CCCCC1 224556690 KKQVIUSEDZZYMX-UHFFFAOYSA-N 392.908 4.660 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)c1 224637364 UURNTJFGCNEIQZ-HXUWFJFHSA-N 394.559 4.798 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108072 RWBGDMDCTCJRPS-MRXNPFEDSA-N 390.892 4.532 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 225492439 VZPDPWTUJJQNBW-NZQKXSOJSA-N 394.559 4.568 0 40 GJAB COC(=O)c1cccc(NC(=S)NCCCc2cccc3ccccc23)c1C 225808777 DXKXIQSNZNCKGZ-UHFFFAOYSA-N 392.524 4.854 0 40 GJAB CC(=O)N[C@]12CCO[C@@H](c3ccc(C(C)C)cc3)[C@@H]1C[C@H]1C[C@H]2[C@@H](C)NC1(C)C 257286318 PLCYXMYTIFPXFK-PGSZWAPMSA-N 398.591 4.559 0 40 GJAB CCOc1ccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)cc1Cl 408621173 KDUQMBXFHSOVNO-UHFFFAOYSA-N 381.259 4.993 0 40 GJAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)c1C 408697800 JRGJOMNESLARMS-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CC(F)(F)C1(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)CC1 585107106 XTNMYZAKOFGUMP-UHFFFAOYSA-N 398.862 4.705 0 40 GJAB CCOC(=O)c1cc(CC)sc1NC(=O)COc1cc(C)ccc1C(C)C 708656 CCVRZDLRWXSABG-UHFFFAOYSA-N 389.517 4.937 0 40 GJAB CN(C)c1ccc([P@@](=O)(OCc2ccccc2)[C@@H](O)c2ccccc2F)cc1 724041 LODQNKQWPYWQSD-SKCUWOTOSA-N 399.402 4.703 0 40 GJAB COc1cc(/C=C2\N=C(c3ccco3)OC2=O)ccc1OCc1ccc(C)cc1 842767 DILKNBSHTIYONL-PDGQHHTCSA-N 389.407 4.520 0 40 GJAB Cc1ccccc1-c1nnc(SCCN2CCCCC2)n1-c1ccccc1 877866 SBPASICKMWTBNC-UHFFFAOYSA-N 378.545 4.821 0 40 GJAB COc1ccc(C(=O)COc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 993068 BRBGOXGLTURFAG-UHFFFAOYSA-N 395.842 4.863 0 40 GJAB O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1cccnc1 1087363 ARKKFFWOFZSIJD-UHFFFAOYSA-N 380.014 4.646 0 40 GJAB O=C(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1cccnc1Cl 2760136 IQXKXKJEWKWOKG-UHFFFAOYSA-N 381.650 4.539 0 40 GJAB O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cccnc1 3241796 MZNBOCIFTFBZBK-UHFFFAOYSA-N 385.345 4.605 0 40 GJAB CCCN(CC1CC1)C(=O)CSc1nc(C)nc2sc3c(c12)CCCC3 3297229 IDGDDMCDNDDICH-UHFFFAOYSA-N 389.590 4.619 0 40 GJAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N(Cc1ccccc1)C(F)F 3315495 ANWAKUZKEJKTLA-UHFFFAOYSA-N 399.768 4.772 0 40 GJAB COc1ccc(CN2C(=O)/C(=C/c3ccccc3C)c3ccccc3C2=O)cc1 3425504 LJVNMDPNDDCFPG-HZHRSRAPSA-N 383.447 4.727 0 40 GJAB CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccco2)c2c[nH]c3ccccc23)cc1 3427751 KJGMDBWBRPSZEP-TWLJRWAQSA-N 399.494 4.788 0 40 GJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)c1OC 4535157 DRMWSOVOERZZOW-DKPMNZTPSA-N 379.456 4.699 0 40 GJAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccco4)c3)nc2c1 4703847 PJLWEERPBOEGMM-UHFFFAOYSA-N 391.452 4.831 0 40 GJAB O=C(Nc1ncc(-c2cccnc2)s1)c1ncoc1-c1ccc(Cl)cc1 4932770 HVQQIJWIAGATHB-UHFFFAOYSA-N 382.832 4.766 0 40 GJAB COc1ccc(Cn2cc(C(=O)c3ccc(C)c(C)c3)c(=O)c3ccccc32)cc1 4937237 ILDARMRRMXAAPG-UHFFFAOYSA-N 397.474 4.906 0 40 GJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cc(Cl)ccc1Cl 5484649 KJVCZRJFHLFIHJ-UHFFFAOYSA-N 396.661 4.969 0 40 GJAB Clc1ccc(OCc2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 5557042 JDTLVGABFAUQCW-UHFFFAOYSA-N 377.256 4.739 0 40 GJAB Fc1ccc(COc2ccc(Br)cc2C(=S)N2CCCC2)cc1 5863072 SRALZZRWAIUUEF-UHFFFAOYSA-N 394.309 4.939 0 40 GJAB COC(=O)c1ccc([C@H]2C3=C(N=C4N=NNN42)[C@@H](C2CCCCC2)CCC3)cc1 5867968 UNSZUPWZLXBDQR-XLIONFOSSA-N 393.491 4.706 0 40 GJAB c1ccc(OCCSc2nnc(SCCOc3ccccc3)s2)cc1 6241377 LQTCCHMUKSNSMA-UHFFFAOYSA-N 390.555 4.880 0 40 GJAB CCOc1ccc(-n2c(CSC3CCCC3)nc3ccccc3c2=O)cc1 6549483 FQFKOERWEXCJCB-UHFFFAOYSA-N 380.513 4.960 0 40 GJAB Cc1ccccc1CSc1ncc(Cl)c(C(=O)NCc2ccccc2)n1 6748155 MCFRGLBJIIDKED-UHFFFAOYSA-N 383.904 4.661 0 40 GJAB COc1ccc(C)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 6789578 OBYQZRBOPKBZHX-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CCc1ccc(-c2noc(CSc3nnc(C)n3Cc3ccccc3)n2)cc1 7112672 BGIPMNFJQVTFOU-UHFFFAOYSA-N 391.500 4.540 0 40 GJAB Cc1sc2nc(SCc3ncc(-c4ccccc4)o3)n(C)c(=O)c2c1C 7779546 FNAIBRCIISONKR-UHFFFAOYSA-N 383.498 4.559 0 40 GJAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 7928326 PTYZFHVRYACAAN-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)ccc2c1 7987637 KDYBURYYNJFBNW-HNNXBMFYSA-N 377.440 4.752 0 40 GJAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1 8113241 IGPUTOHAOZHLDT-UHFFFAOYSA-N 396.874 4.978 0 40 GJAB Cc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 8902649 HYRHIJIUKZCNOF-UHFFFAOYSA-N 377.425 4.702 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 9134472 PESXMOQIKBPFAW-UHFFFAOYSA-N 388.423 4.720 0 40 GJAB O=C(Nc1ccccc1N1CCOCC1)c1ccc2noc(-c3ccccc3)c2c1 9751496 MVJQSBLBBOTPOY-UHFFFAOYSA-N 399.450 4.584 0 40 GJAB Cn1c(CNC(=O)c2ccccc2SCc2cccs2)nc2ccccc21 9915550 PRDZYBVMAUXXIG-UHFFFAOYSA-N 393.537 4.857 0 40 GJAB COc1ccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2C)cc1 10243531 SGEATQFLZDRIQQ-UHFFFAOYSA-N 379.407 4.802 0 40 GJAB CCc1cc(C(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)no1 12186539 RDAIRWBIASQGBH-IBGZPJMESA-N 383.423 4.789 0 40 GJAB Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC(C)C)n1 12226021 DSEMUJURPNJSRE-UHFFFAOYSA-N 377.448 4.960 0 40 GJAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1cccc(Br)c1)N3 12522005 XXXOJNJUQZWXMQ-OAHLLOKOSA-N 388.290 4.530 0 40 GJAB COc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1OC 12540968 WSEVPLSJTUKRNO-UHFFFAOYSA-N 387.439 4.603 0 40 GJAB O=C(Nc1cccc(Cl)c1)c1cccc(OCc2cn3ccccc3n2)c1 12550449 ALSNRYOCOASWFH-UHFFFAOYSA-N 377.831 4.819 0 40 GJAB CCc1ccc(-c2csc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)n2)cc1 12617444 HEGUNFUYWWETLA-SFHVURJKSA-N 384.888 4.968 0 40 GJAB C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)cc1Cl 12818406 KHDYGJPZOLRSLZ-ADLMAVQZSA-N 381.278 4.803 0 40 GJAB Cc1cc(NC(=O)c2sc(-c3ccccn3)nc2C)ccc1Br 12997379 PUNWUYMKWZEIJJ-UHFFFAOYSA-N 388.290 4.837 0 40 GJAB CCOc1cc(C=O)ccc1OCc1nc(-c2cccc(C(F)(F)F)c2)no1 14224023 APDGBSQMDVOXRW-UHFFFAOYSA-N 392.333 4.546 0 40 GJAB CN(c1ccccc1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl 16089129 QUUMCAYKYNRODJ-UHFFFAOYSA-N 395.105 4.581 0 40 GJAB CCN(CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccccc12 16740434 PAQFOXWZZIFJAB-GOSISDBHSA-N 390.531 4.537 0 40 GJAB CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OCCOCCO 16892237 QUYITUXSUUKIRL-VZOQVYJPSA-N 386.573 4.547 0 40 GJAB COc1ccc(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)c(OC)c1 17053230 AKDMYBQKPABGKV-UHFFFAOYSA-N 398.484 4.706 0 40 GJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)NC3CCCCC3)c2C(N)=O)C1 17080031 MRDAKJCJZCSCQE-CYBMUJFWSA-N 391.581 4.842 0 40 GJAB CCOc1cc([C@H]2NC(=O)c3ccccc3N2C)ccc1OCc1cccs1 18054173 JPIJARFMHDPOIP-NRFANRHFSA-N 394.496 4.604 0 40 GJAB COc1ccc(NC(=O)c2cc(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccc23)cc1 18173556 GOWWGNCXZGMPDC-CALCHBBNSA-N 389.499 4.978 0 40 GJAB CNC1CCC2(CC1)CN(Cc1cccc3cccnc13)Cc1ccccc1O2 19592016 ZLHWCYKLCHLWDO-UHFFFAOYSA-N 387.527 4.530 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 20037951 DPPHGIDRLFKGHL-KRWDZBQOSA-N 382.504 4.602 0 40 GJAB O=C(O)c1sc2cc(-n3c(S)nnc3-c3ccccc3)ccc2c1Cl 20530520 DAIWMVLAYYFVJF-UHFFFAOYSA-N 387.873 4.789 0 40 GJAB Cc1ccc(C)c(NC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 20543355 XLCHDQMIFPGQRH-UHFFFAOYSA-N 391.437 4.672 0 40 GJAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccc(F)cc1F 21533433 BFZUFENGDMOHGG-UHFFFAOYSA-N 393.846 4.843 0 40 GJAB COc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)c1 24355936 YVDFVNUEKRWGGR-GDNBJRDFSA-N 389.839 4.675 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(-n2ccnc2C)cc1 28242089 FCPMLKWONYAWRY-UHFFFAOYSA-N 399.498 4.555 0 40 GJAB Cc1cc(NC(=O)[C@@H](C)SCc2coc(-c3ccc(Cl)cc3)n2)no1 31423922 JWEXADVOSQOKAG-LLVKDONJSA-N 377.853 4.552 0 40 GJAB CCc1c(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cnn1-c1ccccn1 31813456 UNURFVMHCYYNCV-LBPRGKRZSA-N 389.286 4.628 0 40 GJAB CCOc1ccccc1NC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 32962597 UQKBWYKQBGGSEP-UHFFFAOYSA-N 381.453 4.837 0 40 GJAB O=C(O)C(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1 37528404 OWFKJEZZFMKCQG-UHFFFAOYSA-N 398.094 4.698 0 40 GJAB COc1ccccc1CN(CCCn1ccnc1)Cc1ccc(Cl)c(F)c1 43277820 XGLWNPNPOYKGAT-UHFFFAOYSA-N 387.886 4.777 0 40 GJAB COc1ccc2[nH]c(C(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)C3CC3)cc2c1OC 48314680 XWGVUKAKTQMNHT-XJKSGUPXSA-N 394.471 4.706 0 40 GJAB CC(C)CCO[C@H](C)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 58049872 IEDDGRJVKCHFRI-LJQANCHMSA-N 391.515 4.607 0 40 GJAB COCCN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)c1ccccc1 58298065 CUFHDYCETLCCHF-AWEZNQCLSA-N 381.303 4.642 0 40 GJAB FC(F)Oc1ccc2c(c1)CCC[C@H]2NCc1cnc(-c2ccccc2)nc1 58477545 JQYVAYMXIJUBAY-HXUWFJFHSA-N 381.426 4.912 0 40 GJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(Nc2ccc(F)cc2)CC1 65532001 VKODFOPMEHCURP-UHFFFAOYSA-N 382.410 4.942 0 40 GJAB CN(C)[C@@H]1CCCN(c2nc(C3CC3)nc3scc(-c4ccccc4)c23)C1 65547938 YTVLIDWTVFELMV-QGZVFWFLSA-N 378.545 4.766 0 40 GJAB COc1ccc(CN(C(=O)CSc2nccc3ccccc23)C2CC2)cc1 83944254 ADGHBSRLWYLFEY-UHFFFAOYSA-N 378.497 4.527 0 40 GJAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=S)Nc1ccccc1 100426855 NZXSARBWFRXSLY-PMACEKPBSA-N 393.556 4.507 0 40 GJAB CN(C)[C@H](CNC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)c1ccccc1Cl 102361240 ZGUFFRUYRWVNON-PXWGPDOFSA-N 395.374 4.637 0 40 GJAB Cn1cnnc1-c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)cc1 105949206 MEVQLDDTIRGOLD-UHFFFAOYSA-N 390.393 4.680 0 40 GJAB O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccccc1Cl 214086576 SSAHEFSDMGOYAT-OVCLIPMQSA-N 380.252 4.936 0 40 GJAB CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 224728594 BSWINLGELRBMGF-UHFFFAOYSA-N 395.105 4.581 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CCCc2cc(OC)ccc21 225366222 VRRZMMIDTVWDMX-BJKOFHAPSA-N 393.527 4.925 0 40 GJAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c2cccnc12 225579815 ZRMWDLZRCGERPM-KRWDZBQOSA-N 393.512 4.832 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225801712 KCEIGSSOWPIIPC-BTYIYWSLSA-N 379.497 4.574 0 40 GJAB Cc1cccc(-c2noc(CNC(=S)Nc3cccc(C(F)(F)F)c3)n2)c1 225814548 RNORFWNOTCOVIH-UHFFFAOYSA-N 392.406 4.550 0 40 GJAB O=C(NCc1ccccc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408624071 UDWKWQJDDAVFRM-UHFFFAOYSA-N 388.854 4.759 0 40 GJAB CC(C)(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 408628727 WNYRCJNMNORZSX-UHFFFAOYSA-N 395.484 4.544 0 40 GJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2F)cc1 408675286 HECRQOISNQOTBK-UHFFFAOYSA-N 388.398 4.575 0 40 GJAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(F)cc2)c1 408696040 VLORSUOMXPYHRR-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O)c1ccccc1 409220358 XUQVHHLIDFKAOW-MOSHPQCFSA-N 389.432 4.866 0 40 GJAB Brc1ccccc1-n1cc(CNCc2csc3ccccc23)nn1 557169110 HVRUZKSUKSJOFB-UHFFFAOYSA-N 399.317 4.534 0 40 GJAB CN(C)[C@H](CNC(=O)c1c(F)cccc1Cl)c1csc2ccccc12 575622216 XVDUDWBBZHYRCC-MRXNPFEDSA-N 376.884 4.727 0 40 GJAB COc1ccc2cc3c(N)c(C(=O)N4CCCc5ccccc54)sc3nc2c1 1223887 BCSDXJWJSYFMNF-UHFFFAOYSA-N 389.480 4.633 0 40 GJAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccccc3C)c(C)c2oc1=O 2093754 VYMKJMZDPCBLCH-UHFFFAOYSA-N 394.467 4.793 0 40 GJAB biogenic Cc1cccc(-c2nnc(SCc3ccc(Br)cc3F)n2C)c1 2650039 MPHFFHLFZTVWJE-UHFFFAOYSA-N 392.297 4.984 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)cc1 3451467 OUTDQQVSSKPEDE-UHFFFAOYSA-N 376.384 4.672 0 40 GJAB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccccc3s2)CC1 3669548 VZRDSTHDAKPOCS-UHFFFAOYSA-N 392.311 4.566 0 40 GJAB C[C@@H]1CCc2sc(NC(=O)c3cc(Cl)cc(Cl)c3)c(C(N)=O)c2C1 4071916 HLCAYXGMQBJWNK-MRVPVSSYSA-N 383.300 4.531 0 40 GJAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccs3)sc2c1 4739329 XJDAJVFGNGRGFY-UHFFFAOYSA-N 375.544 4.827 0 40 GJAB COc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1OC 4825475 BYVPFFLEXCUMTO-UHFFFAOYSA-N 388.423 4.693 0 40 GJAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 5231590 NYLTWGVNSKZTKS-UHFFFAOYSA-N 382.460 4.643 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)cc1 5441999 GQKNXTAJCPKRSK-UHFFFAOYSA-N 396.487 4.643 0 40 GJAB Cc1nnc(S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)O)[nH]1 5721343 QDCJDXWCIDDXLY-RIYZIHGNSA-N 395.362 4.610 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1sccc1C)c1ccccc1 5967157 HDWJNDUQUMQIHX-IBGZPJMESA-N 395.480 4.910 0 40 GJAB O=C(c1ccc(Cl)cc1)c1ccc(CSc2nc3ccccc3[nH]c2=O)o1 6668534 FZKPSLHEQKHEDW-UHFFFAOYSA-N 396.855 4.693 0 40 GJAB FC(F)(F)c1cccc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1 7449861 WSYIKVIZVOMSLK-UHFFFAOYSA-N 387.405 4.683 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2)cc1OC 7652479 AJHAVBBPCCZNOU-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cc(Cl)ccc1F 7922978 SIXQPPVNTVHWHQ-NSHDSACASA-N 377.872 4.720 0 40 GJAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1sccc1-c1ccccc1 7980225 OYUBFEXHEKHEND-UHFFFAOYSA-N 380.860 4.902 0 40 GJAB COC(=O)c1cc(NC(=O)CSCc2cccc(Cl)c2)ccc1Cl 8092194 RFTFVFOUHQYFFX-UHFFFAOYSA-N 384.284 4.652 0 40 GJAB Cc1cccc(N2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)c1C 8178128 XDKAURTUXPRFDN-UHFFFAOYSA-N 395.510 4.635 0 40 GJAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccc3F)ccc2o1 9660114 DZWRHAMVQMITIV-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB biogenic CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2coc(-c3cccs3)n2)cc1 10880883 LGHWQFRWBFCHBO-UHFFFAOYSA-N 399.472 4.680 0 40 GJAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1 12525545 MNUPAGSEYPCIKA-HZPDHXFCSA-N 379.529 4.973 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 12785445 PXWOEPFQTABCKO-AOMKIAJQSA-N 398.503 4.614 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2c[nH]c3ccc(Br)cc23)cc1 12794196 DNXSAZRLJRXNRZ-IBGZPJMESA-N 399.288 4.916 0 40 GJAB c1csc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13769356 MTMODDHTEBMFBX-IIBYNOLFSA-N 376.437 4.719 0 40 GJAB Fc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13777802 XYTJWHSFAGZGJR-WMZHIEFXSA-N 388.398 4.797 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccc(OC(C)C)cc2)c(Br)c1 14646137 DYYBVAFANBBAEU-UHFFFAOYSA-N 392.293 4.816 0 40 GJAB O=C(/C=C/c1cccc2cccnc12)OCc1c(F)c(F)c(F)c(F)c1F 14812385 ANAJGGVLNPONCX-VOTSOKGWSA-N 379.284 4.687 0 40 GJAB COc1ccc(NC(=O)[C@H](C)SCc2ccccc2Br)cc1 15493165 NACFSICCZVFQAH-LBPRGKRZSA-N 380.307 4.718 0 40 GJAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc2c(c1)Cc1ccccc1-2 16059415 SGFSZKTWERXDEE-UHFFFAOYSA-N 387.464 4.941 0 40 GJAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)Nc1ccccc1Cl 18457918 SFMJQMUKTPOXOX-LLVKDONJSA-N 375.856 4.989 0 40 GJAB CCOc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 22075650 HGFUMMAWXGPQTK-UHFFFAOYSA-N 397.346 4.622 0 40 GJAB CCOc1ccc(C(=O)Nc2cnn(Cc3ccccc3Cl)c2)cc1OCC 27920754 MEHWWWGNLOOQPK-UHFFFAOYSA-N 399.878 4.635 0 40 GJAB O=C(COc1ccccc1F)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 29013096 MCDJDKKORQYMLH-UHFFFAOYSA-N 396.365 4.986 0 40 GJAB CSCc1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)oc2ccccc12 32983785 TUNGNTWYYUVQNM-FQEVSTJZSA-N 394.540 4.863 0 40 GJAB O=C(NC1CCCCC1)c1sc(=S)n2c1nc(O)c1cc(Cl)ccc12 33251329 IACZBNBJWIVXCF-UHFFFAOYSA-N 393.921 4.700 0 40 GJAB O=C(O)CCCN1CCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 34884332 PVCTYSQBVIGZRU-QGZVFWFLSA-N 389.879 4.840 0 40 GJAB CCOc1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)cc1 34909961 IFTAJKKOYUCIRF-UNOMPAQXSA-N 382.485 4.808 0 40 GJAB O=C(C1CCCC1)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 36752112 RXWSFPGBSQZDEP-UHFFFAOYSA-N 380.435 4.904 0 40 GJAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(F)c1 41078082 LOPLHADAUDKOPU-UHFFFAOYSA-N 381.451 4.728 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 57416744 GOOPQSHBGSMKJZ-UHFFFAOYSA-N 388.298 4.746 0 40 GJAB O=C(Nc1ccc2cc[nH]c2c1)c1cc(O)c(OCc2ccc(Cl)cc2)cn1 61719839 XMSIQXYMNOIIRJ-UHFFFAOYSA-N 393.830 4.753 0 40 GJAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1[nH]c2ccc(F)cc2c1Cl 65538736 NTVWHAJSYPXEDQ-UHFFFAOYSA-N 382.782 4.795 0 40 GJAB CCc1ccc(NC(=O)COc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1 72242806 OUHGXXJTNWLFII-UHFFFAOYSA-N 399.450 4.984 0 40 GJAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)N(c2ccc(O)cc2)C3=O)cc1 78547162 AEPWKCPPMQLIPX-HSZRJFAPSA-N 381.435 4.841 0 40 GJAB FC(F)(F)c1cc(N2CCCN(Cc3ccccc3)CC2)c2ccccc2n1 89834947 DOGLFIISUWVYEI-UHFFFAOYSA-N 385.433 4.966 0 40 GJAB CC1(C)C[C@@H](NC(=O)C[C@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)CCO1 95478219 JXRMNOPSHXLVAJ-PGRDOPGGSA-N 393.955 4.631 0 40 GJAB COc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c(OC)c1 98073345 MUHUZUQBXHNDTP-MRXNPFEDSA-N 389.451 4.677 0 40 GJAB COc1ccc([C@H]2CC(=O)CC(=O)[C@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 100917856 APLRHUIRZISVRH-PBHICJAKSA-N 397.780 4.562 0 40 GJAB COc1ccc2nc(NC(=O)C34C[C@@H]5C[C@H](CC(Cl)(C5)C3)C4)sc2c1 101042953 UXCFAZBOYFMCDB-VMFHFQHDSA-N 376.909 4.821 0 40 GJAB Cc1ccc(C2=C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1C 101100860 GILUOIQUSCSCDS-GOSISDBHSA-N 381.277 4.713 0 40 GJAB Cc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(Cc4ccccc4)c(=N)c32)cc1 101348767 ZRAFUWCIJFCSTG-QFIPXVFZSA-N 395.462 4.711 0 40 GJAB O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCc2ccccc2C1 216366203 XPXVXBMKFWGZRW-UHFFFAOYSA-N 382.507 4.838 0 40 GJAB COc1ccc(NC(=O)N2CCS[C@@H](c3ccccc3F)CC2)cc1OC 219138565 HVNPYEVZAYKDNJ-LJQANCHMSA-N 390.480 4.555 0 40 GJAB O=C(c1c(F)cccc1Cl)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219189520 QEHFBHLMYCLTIK-QGZVFWFLSA-N 393.867 4.528 0 40 GJAB COC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 219767620 JVWXPXYAXCBHET-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB COc1cc(C)c(S(=O)(=O)NCc2cccc3ccccc23)cc1C(C)C 222896556 YUQXDIRRNATKNW-UHFFFAOYSA-N 383.513 4.759 0 40 GJAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)c1 224297067 OUALYNWRBXWHJJ-YADHBBJMSA-N 390.556 4.831 0 40 GJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1CCc1ccccc1 225000993 XPMLWWSQBIEMBJ-UHFFFAOYSA-N 386.495 4.561 0 40 GJAB CCOc1ccccc1NC(=S)NCCSCc1ccc(Cl)cc1 225301980 QBDUHGPCXXQOJT-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 225538445 ZJSQOTYHZYKVSY-SFHVURJKSA-N 395.572 4.977 0 40 GJAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225607666 HQZCYYCXTKYGLR-HSZRJFAPSA-N 390.568 4.721 0 40 GJAB CCN(C(=O)C(F)(F)F)c1ccc(F)c(-c2cc3ccccc3oc2=O)c1 226358392 BPBGXXNLJMDATM-UHFFFAOYSA-N 379.309 4.514 0 40 GJAB Cc1noc(C)c1-c1cccc(C2CCN(C(=O)c3cccc(F)c3)CC2)n1 257216103 CTCRCKHLKVTTKK-UHFFFAOYSA-N 379.435 4.512 0 40 GJAB COc1ccc([C@H]2C[C@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)c(OC)c1 257277856 NZTZOOWOBHZUBM-QDUYCGMJSA-N 389.536 4.501 0 40 GJAB O=C(NCc1ccccc1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408975324 AGLSMOCULLGAMU-UHFFFAOYSA-N 393.450 4.550 0 40 GJAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)cc1 409339089 DWIYIRLLKOGMSV-MHWRWJLKSA-N 386.498 4.547 0 40 GJAB CC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3cnc4ccccn34)n2)CC1 2037838459 HWRMLNAWVPKZKG-UHFFFAOYSA-N 392.503 4.586 0 40 GJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccccc1 703875 SGSCIFKCECPHPZ-GOSISDBHSA-N 385.442 4.744 0 40 GJAB CCOc1ccccc1C(=O)Nc1cc(NC(=O)c2cccs2)ccc1C 1330053 MXGZZRZZDBETHY-UHFFFAOYSA-N 380.469 4.960 0 40 GJAB Cc1ccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)cc1 1354164 OUUGYDAYKLRSFO-UHFFFAOYSA-N 385.826 4.642 0 40 GJAB Fc1ccc(-c2nc3ccccn3c2Nc2ccc(N3CCOCC3)cc2)cc1 1412158 CKJRLOZNLZOZPS-UHFFFAOYSA-N 388.446 4.721 0 40 GJAB S=C(Nc1ccc(Cl)cc1Cl)NC1CCN(Cc2ccccc2)CC1 2636073 DSYPCNCZRPRTQR-UHFFFAOYSA-N 394.371 4.944 0 40 GJAB COc1cc(C(=O)c2c(-c3ccccc3)cc3ccccn23)cc(OC)c1OC 3242318 OJUOOAPGSSWVCY-UHFFFAOYSA-N 387.435 4.863 0 40 GJAB O=C(Oc1ccc2c(c1)OCO2)c1ccccc1OCc1ccc(Cl)cc1 3289146 YNMOAMRKFSEBLG-UHFFFAOYSA-N 382.799 4.867 0 40 GJAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(Cl)cc1 3321645 XQYOMBSTVIKQLI-UHFFFAOYSA-N 390.921 4.534 0 40 GJAB CC(=O)CCc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 3334641 RPLPUJDVMBWOKB-UHFFFAOYSA-N 399.796 4.898 0 40 GJAB COc1ccc(CN2C(=O)/C(=C/c3ccc(C)cc3)c3ccccc3C2=O)cc1 3406310 FZXNQSHWBJEJRA-HZHRSRAPSA-N 383.447 4.727 0 40 GJAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc(Cl)c(Cl)c1 3475024 XWOZALPDQAKEFS-UHFFFAOYSA-N 386.285 4.836 0 40 GJAB CCCC[C@@H](CC)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 3991749 HEWZIANOBHPGOO-QGZVFWFLSA-N 388.533 4.951 0 40 GJAB Cc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(C)c2)c1 4518138 WUOYTZNRURZIPL-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)cc1 4734507 ITHVGAMVQLABID-XMMPIXPASA-N 395.462 4.660 0 40 GJAB CC(C)OCCCNc1nc2c(-c3ccc(Cl)cc3)nnn2c2ccccc12 5035230 HYXIHKQPLZAZQJ-UHFFFAOYSA-N 395.894 4.825 0 40 GJAB CCc1ccc2nc(N(CCN(C)C)C(=O)/C=C/c3cccs3)sc2c1 5115384 SYGUQTIVVWFFJN-CSKARUKUSA-N 385.558 4.528 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)n2)cc1 5180225 MQEFZYIAFANWHL-UONOGXRCSA-N 398.507 4.531 0 40 GJAB Cc1ccc(Cn2c([C@@H](C)NC(=O)COc3ccccc3)nc3ccccc32)cc1 5545785 PUWJYQBKRBAMDE-LJQANCHMSA-N 399.494 4.649 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(Cl)ccc1N1CCCC1 6508901 TXPFWWPGDYFHCA-UHFFFAOYSA-N 394.906 4.995 0 40 GJAB CCN(CC)c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(OC)c1 6629969 AYGOEJJJCMKDBK-FOLIBTTPSA-N 389.565 4.631 0 40 GJAB Cc1cccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)c1 8729272 KFIXYBJZBOTRPC-UHFFFAOYSA-N 375.350 4.635 0 40 GJAB COc1ccc(-c2nnc(SCc3coc(-c4ccccc4)n3)o2)cc1OC 9503420 WHJZKTPSHVEFPD-UHFFFAOYSA-N 395.440 4.701 0 40 GJAB Cc1cccc2sc(N(Cc3ccncc3)C(=O)COc3ccccc3)nc12 10254239 PJJHZTFFUCGOIC-UHFFFAOYSA-N 389.480 4.612 0 40 GJAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@H](c1ccccc1)c1cccs1 10490565 IVLJKPUJXXHOEX-LJQANCHMSA-N 397.368 4.892 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCC[C@@H](C)C2)cc1C 12437934 JEIZCJHLJPUSNJ-MRXNPFEDSA-N 394.540 4.921 0 40 GJAB O=C(/N=c1/[nH]c2ccccc2s1)c1cc(-c2ccncc2)nc2ccccc12 12537299 ZIVGMXSCIMPRRW-UHFFFAOYSA-N 382.448 4.581 0 40 GJAB Cc1cc(NC(=O)N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)no1 12561641 BHAULMSKJGXTFN-HNNXBMFYSA-N 375.432 4.547 0 40 GJAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)ccc21 12617352 VFNBTGWCOBECDM-LLBVYWAGSA-N 389.495 4.793 0 40 GJAB CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 12652972 PPELYUTTZHLIAZ-JUQWDDINSA-N 387.520 4.612 0 40 GJAB biogenic CCc1ccc([C@H](C)NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)cc1 12798955 JHXZHFNBWITRFM-HRAATJIYSA-N 392.524 4.659 0 40 GJAB CC[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(C)cc1 12911380 HOWHMOVJOBXFFE-RBNVVWFDSA-N 390.527 4.514 0 40 GJAB CCCc1noc(CCC(=O)Nc2ccc(Oc3ccc(OCC)cc3)cc2)n1 12912310 JUNMFBBNZYQSMB-UHFFFAOYSA-N 395.459 4.784 0 40 GJAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)cc1 12917479 GSBSYSLNIAUAGS-INIZCTEOSA-N 386.300 4.528 0 40 GJAB Cc1cc(C)cc(NC(=O)c2ccccc2SCC(=O)NCc2ccco2)c1 13041865 OZWGGMUFMSPPCI-UHFFFAOYSA-N 394.496 4.557 0 40 GJAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3CCCC[C@H]3C)s2)cc1 13135174 IFLFFNSXVHENLI-CQSZACIVSA-N 390.578 4.898 0 40 GJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCCc1ccc(Cl)cc1 13613646 QHKASBJYZALBOK-UHFFFAOYSA-N 392.735 4.699 0 40 GJAB Cc1c(Cl)ccc2sc(N(Cc3ccccc3)C(=O)c3ccn(C)n3)nc12 13667712 JIHJKVGEPLYWTI-UHFFFAOYSA-N 396.903 4.839 0 40 GJAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 13710358 WYFIPBHFBOJPLY-INIZCTEOSA-N 377.937 4.774 0 40 GJAB COc1cccc(OC)c1OCCN1CCC(c2nc3ccccc3s2)CC1 13729142 APWSHWFFHQZMGQ-UHFFFAOYSA-N 398.528 4.572 0 40 GJAB CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 14011394 ZUXRDCIRWJNKOT-HKWRFOASSA-N 389.480 4.784 0 40 GJAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 15445345 SNAUOCRGOPUOJO-UHFFFAOYSA-N 397.544 4.756 0 40 GJAB CSc1ccc(CN(C)C(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 17972485 GKGJYCJJRIUPAB-UHFFFAOYSA-N 387.505 4.668 0 40 GJAB CCOc1ccccc1N/C=C1/C(=O)N(c2ccccc2)C(=O)c2ccccc21 18100195 WUVXMIQSPFVGID-CAPFRKAQSA-N 384.435 4.725 0 40 GJAB O=C(C1CCCCC1)N1CC[C@@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 19704561 LRCPAUJKLBTXQF-MRXNPFEDSA-N 387.911 4.538 0 40 GJAB O=C(C[C@H]1C=CCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 20917546 QMJODAKGXSXGDV-SFHVURJKSA-N 396.481 4.555 0 40 GJAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccccc1 21787413 ZWMZOHJQVCVRLQ-JOCHJYFZSA-N 377.488 4.579 0 40 GJAB CN(Cc1cccc(Cl)c1)Cc1nnc(-c2ccccc2Br)o1 24812047 OIBMHHWUPZVOIB-UHFFFAOYSA-N 392.684 4.785 0 40 GJAB C[C@@H](NCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(Cl)cc1 29961906 LKFZNAIGBVXZEC-OAHLLOKOSA-N 394.906 4.692 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 30758965 SATZACSRCFZXJW-HRAATJIYSA-N 393.483 4.892 0 40 GJAB COc1ccc([C@H](C)NC(=O)N(Cc2ccco2)Cc2cccs2)cc1F 32863150 DRWWYRHSOJCSFH-AWEZNQCLSA-N 388.464 4.962 0 40 GJAB CCc1ccccc1NC(=O)CSc1ncnc2c1[nH]c1ccc(C)cc12 33172475 ZUZPQDANNJOJBG-UHFFFAOYSA-N 376.485 4.713 0 40 GJAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 40086868 GCHJQEWKCUXELX-YADHBBJMSA-N 398.591 4.579 0 40 GJAB O=C(CCn1ccc2c(Br)cccc21)Nc1ccc2cc[nH]c2c1 40312663 ZMDRQIYBPAZWIQ-UHFFFAOYSA-N 382.261 4.914 0 40 GJAB biogenic CC(=O)N1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215675 GVSBIITWSIALFZ-LJQANCHMSA-N 387.524 4.839 0 40 GJAB O=C(NC1CCCCCCC1)c1cn[nH]c1-c1cccc(Br)c1 72329037 YIDURCOBOSYOOM-UHFFFAOYSA-N 376.298 4.682 0 40 GJAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)COc3ccccc3)n2)cc1 72357774 DQIFMCOAHIQDCB-DEOSSOPVSA-N 386.495 4.723 0 40 GJAB O=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1cccc(Br)c1 96119586 OOPBJMCYBLZTIW-UHFFFAOYSA-N 398.260 4.553 0 40 GJAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)n1 100148387 CTRBTGYPYPJVOQ-HSALFYBXSA-N 390.531 4.593 0 40 GJAB C[C@@H](Sc1ccccc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 104656846 UXICJSDWXKKABO-OAHLLOKOSA-N 394.462 4.535 0 40 GJAB Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)o1 215050261 XLTWPYWWRNISHW-RIYZIHGNSA-N 378.247 4.587 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1Cl 216401962 BVQUHEHZSDEJHW-UHFFFAOYSA-N 383.831 4.931 0 40 GJAB Cc1cc(OCC(=O)NCCOc2ccccc2C(C)(C)C)ccc1Cl 223704740 HMCUUKHGFFXSSY-UHFFFAOYSA-N 375.896 4.520 0 40 GJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)C)c1 224556853 JSOFIFFHYHNMNJ-RTWAWAEBSA-N 392.528 4.650 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2cc(C)ccc2C)c1 225537122 MTAFBDKUNUUMJO-CYBMUJFWSA-N 376.909 4.791 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCCC1 225654787 MDPDBGFGXVIWJR-IBGZPJMESA-N 388.552 4.618 0 40 GJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OC)c1 225826718 WBCWJRBLTHHPJK-JOCHJYFZSA-N 393.524 4.966 0 40 GJAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)C1(c2ccccc2)CC1 225989024 OAJCMSAKTMGNJJ-UHFFFAOYSA-N 379.891 4.538 0 40 GJAB C[C@H](CN1CCC[C@@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 248173955 UOPJJORNGHLBHK-UYAOXDASSA-N 395.547 4.720 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)cc1 408648980 WXPBISNLOMMRQB-GOSISDBHSA-N 386.451 4.779 0 40 GJAB COc1ccccc1N1C(=O)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O 409057008 GCVUZVMALOIIEQ-ZSOIEALJSA-N 396.251 4.949 0 40 GJAB CCOc1nccc(C)c1C(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 622579461 GPNPUBDFEZWWGO-UHFFFAOYSA-N 376.859 4.543 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)CCc2ccc(F)cc2)CN1c1ccc(F)cc1 1615120676 MBGQOQLVWGEQQV-XMMPIXPASA-N 398.497 4.948 0 40 GJAB Cc1ccc(NC(=O)COc2cccc3ccc(C)nc23)c(Br)c1 645881 OMZXTUGRXCZEJB-UHFFFAOYSA-N 385.261 4.632 0 40 GJAB Nc1c(C(=O)NCCc2ccccc2)sc2nc(-c3ccc(F)cc3)ccc12 661615 UOTQSZWGHFZUIF-UHFFFAOYSA-N 391.471 4.657 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 814016 MMKWJVBZVMWVRZ-UHFFFAOYSA-N 391.452 4.669 0 40 GJAB CCC(=O)N(CCc1ccccc1)c1nc(-c2cc(OC)ccc2OC)cs1 881041 PTBVCBXIMUXBLA-UHFFFAOYSA-N 396.512 4.813 0 40 GJAB Cc1cccc(C(=O)N[C@H](Sc2ccccn2)C(Cl)(Cl)Cl)c1 971185 KUABAPDGPWZWKU-CQSZACIVSA-N 375.708 4.608 0 40 GJAB COc1ccc2cc([C@@H](C)c3nnc4c(N(C)C)nc5ccccc5n34)ccc2c1 1081967 KLZNJYHMKYXYRW-OAHLLOKOSA-N 397.482 4.657 0 40 GJAB O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)Nc1ccc(N2CCCC2)cc1 1355580 IESHSYFJDCWIBU-UHFFFAOYSA-N 396.491 4.547 0 40 GJAB Cc1nc(C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccc(Cl)cc1 1397411 GNNQKEZOJDMMSL-UHFFFAOYSA-N 381.650 4.788 0 40 GJAB C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C 1574296 RMEZJKHOZLUOHB-WZDDYSHLSA-N 388.548 4.606 0 40 GJAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 2740380 JNGKOQKJZPTSNE-IRXDYDNUSA-N 378.453 4.569 0 40 GJAB Cc1nnc(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)s1 3533876 FRDSEFFSDJDKRM-OAHLLOKOSA-N 383.542 4.556 0 40 GJAB CCOc1ccc(-n2c(S[C@@H]3CCCC3=O)nnc2-c2ccccc2)cc1 3562622 YORWCNZFZYRPJO-LJQANCHMSA-N 379.485 4.547 0 40 GJAB CCN(CC)CCN(C(=O)Cc1ccccc1)c1nc2c(C)cccc2s1 4359466 BFEAJAPGNUSLDR-UHFFFAOYSA-N 381.545 4.522 0 40 GJAB CCCC1=C(C(=O)OCC)[C@@H](c2cc(F)cc(F)c2)n2c(nc3ccccc32)N1 4735603 JKDHOJLHRMMZTE-HXUWFJFHSA-N 397.425 4.947 0 40 GJAB C[C@H]1CCCN(C(=O)CSc2nc(Cc3ccccc3)nc3ccccc23)C1 4936351 AJRVJBQHIZFELW-KRWDZBQOSA-N 391.540 4.571 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)n(CC(C)C)c1C 5262888 MRNWBOMUVKWLGK-LBPRGKRZSA-N 385.455 4.693 0 40 GJAB Cc1cccc(CSc2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)o2)c1 5295421 IVESDKXDXAGKDJ-HNNXBMFYSA-N 375.494 4.742 0 40 GJAB CCc1cccc(C)c1NC(=O)CSc1ncnc2sc3c(c12)CCC3 6112490 GRZDMURYFDVPNQ-UHFFFAOYSA-N 383.542 4.782 0 40 GJAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc(OC)cc(OC)c1 6359458 WKUWXYXONYKAGI-UHFFFAOYSA-N 389.908 4.928 0 40 GJAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 6455364 GXXOWKVSFUEDIJ-UDABTGFVSA-N 397.603 4.872 0 40 GJAB COc1ccc(-c2c(C)nn3c(N)c(-c4ccc(Cl)cc4)cnc23)cc1OC 6721570 IMMRSFAUGYYVOA-UHFFFAOYSA-N 394.862 4.625 0 40 GJAB Cc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 6753254 CQZQDPZQJNELTQ-QHCPKHFHSA-N 399.450 4.738 0 40 GJAB aggregator CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccccc1Nc1ccccc1 6831759 OYYCFJWRKBWVGT-PKOBYXMFSA-N 380.488 4.767 0 40 GJAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(C(C)C)cc1 7428310 KAGZBXCAWDXEKS-UHFFFAOYSA-N 389.498 4.612 0 40 GJAB CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(Cc3ccccc3)nn2c1C 7508729 JNSRNEILCJBIGB-UHFFFAOYSA-N 399.494 4.710 0 40 GJAB C[C@H](C(=O)Nc1ccccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 8249197 WFWCYMXIJRHOSZ-CABCVRRESA-N 383.492 4.642 0 40 GJAB Cc1cc(C)c(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)c1 8310375 LJPQJHDWFKDPTE-FQEVSTJZSA-N 394.515 4.549 0 40 GJAB Cc1cc(C)c2c(-c3ccccc3)nc(SCc3nccn3C(F)F)n2n1 8725275 OAJFJKNPTPOSBT-UHFFFAOYSA-N 385.443 4.897 0 40 GJAB COC(=O)Nc1sc(NC(=O)CCc2ccccc2)nc1-c1ccccc1 9420493 HUARRVTYDSDPGN-UHFFFAOYSA-N 381.457 4.560 0 40 GJAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C(C)C)cc1 9698985 UJPSGNXEVIYGEU-UHFFFAOYSA-N 396.516 4.574 0 40 GJAB CC(C)c1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccccc1O)C3 10156948 VXAQFLOJWPJRIM-INIZCTEOSA-N 398.466 4.533 0 40 GJAB COc1cccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCCC3)n2)c1 10213531 ZHJMMVFEUDARPQ-UHFFFAOYSA-N 390.491 4.584 0 40 GJAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 11217651 OCXACCOAMVFZGJ-OAQYLSRUSA-N 381.435 4.821 0 40 GJAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 11667295 DMRBOMNZDZPSSH-CQSZACIVSA-N 379.847 4.822 0 40 GJAB Cc1ccc(CN(C(=O)COc2ccc(Cl)c(C)c2)c2ccccn2)cc1 11914728 IELZXJKIGMLNNP-UHFFFAOYSA-N 380.875 4.964 0 40 GJAB Cc1cc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c2c(C)noc2n1 12017949 JTKOJANKSGBUKH-UHFFFAOYSA-N 398.875 4.793 0 40 GJAB CCOc1ccc(NC2=NN=C(c3ccc(NC(=O)C(C)C)cc3)CS2)cc1 12647885 SIRFOBRTPCMRKE-UHFFFAOYSA-N 396.516 4.599 0 40 GJAB CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@]34CCO4)[C@H]12 12655427 QICBLZXMSFTNCM-GYLYOQPXSA-N 388.573 4.936 0 40 GJAB biogenic CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1 13001194 NDBXSFGMYQNRHV-UHFFFAOYSA-N 396.487 4.827 0 40 GJAB O=C(O)c1ccc(CNC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 13092439 JGBRHQUZAFDQCY-UHFFFAOYSA-N 390.222 4.882 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1cc2ccccc2o1 14240358 WLGYWAQJSZRHCF-OUKQBFOZSA-N 387.439 4.933 0 40 GJAB Cc1cccc(CN(C(=O)Nc2cccc(C)c2)c2nnc3n2CCCCC3)c1 16769864 OHVNLBXLTWENKJ-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB C[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)Nc1ccccc1Cl 18457920 SFMJQMUKTPOXOX-NSHDSACASA-N 375.856 4.989 0 40 GJAB O=C(NCc1nnc(-c2cccs2)o1)c1cccc(-c2ccc(F)cc2)c1 19293289 DMGUMERTYSCYQH-UHFFFAOYSA-N 379.416 4.534 0 40 GJAB O=C(C1CCCCC1)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19376507 HDZUNSMSXVQDSR-UHFFFAOYSA-N 390.487 4.571 0 40 GJAB CCn1cc(CN2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)c(C)n1 19691982 KWUXIIVTDNNZMT-XMMPIXPASA-N 392.522 4.982 0 40 GJAB O=C(CSc1nccn1-c1ccccc1)NC1c2ccccc2-c2ccccc21 24928172 SSPIPKIRBNWIID-UHFFFAOYSA-N 397.503 4.851 0 40 GJAB O=C(CCC1CCCC1)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 27602524 AMOBLBLPVHJQCU-UHFFFAOYSA-N 380.444 4.577 0 40 GJAB O=C(COc1cccc(Cl)c1)NC[C@H](c1cccs1)N1CCCCCC1 27662763 QVVXYTYFOQNEAF-GOSISDBHSA-N 392.952 4.514 0 40 GJAB COc1ccc(OCC(=O)N2CCCC[C@H]2CCSc2ccccc2)cc1 27987746 CAFFSEBIXKSSCK-SFHVURJKSA-N 385.529 4.638 0 40 GJAB COc1ccc(Cc2nc(-c3cccc(NC(=O)c4cccc(C)c4)c3)no2)cc1 28222158 GLRBJXIHDHJLBV-UHFFFAOYSA-N 399.450 4.897 0 40 GJAB Cc1cc(C)c2[nH]c(CSCC(=O)Nc3ccc(Cl)cc3)cc(=O)c2c1 33063689 SAVPLIGHEOYJAP-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB COc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1 40485960 SGQFHTLEQSMMAS-HXUWFJFHSA-N 395.842 4.994 0 40 GJAB CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44932261 JJUNVDPVEQQPLV-UHFFFAOYSA-N 380.532 4.780 0 40 GJAB Cc1ccc(OCCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1C 48287809 XMNZLIVVQVCQBF-UHFFFAOYSA-N 391.515 4.533 0 40 GJAB O=C(Nc1ccccc1)N1CCC(Oc2nc3c(F)cc(F)cc3s2)CC1 49443468 VNSUTHVYWCQCSG-UHFFFAOYSA-N 389.427 4.650 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)Cc2ccnn2[C@H]2CCCCO2)cc1 57796915 QRZRMGRUOYEVJX-XMMPIXPASA-N 390.531 4.742 0 40 GJAB Cc1ccc2nc([C@H]3CCCN(C(=O)[C@H](C)Sc4ccccc4)C3)[nH]c2c1 58196826 WBUQSMIOXQUHEK-IRXDYDNUSA-N 379.529 4.758 0 40 GJAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3ccc(F)cc3)N1CC2 72342014 KSYQVNXNSLMYCA-BJKOFHAPSA-N 390.458 4.915 0 40 GJAB Cc1cc(C(=O)COc2cccc([C@H](C)O)c2)c(C)n1CCc1cccs1 79016380 ZDLTWGSKYMIREJ-KRWDZBQOSA-N 383.513 4.724 0 40 GJAB C[C@@H](NC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1 80356626 UMDSPECINGRAIK-MRXNPFEDSA-N 383.451 4.651 0 40 GJAB Cc1n[nH]c(=S)n1-c1cccc(NC(=O)c2cnc(-c3ccccc3)s2)c1 89736194 SGMCSQJYRCMGCV-UHFFFAOYSA-N 393.497 4.614 0 40 GJAB O=C(c1ccc(OC2CSC2)cc1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166548 GWXZSTOXUQXBON-PMACEKPBSA-N 397.515 4.871 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)cc12 101987275 RROVAUSODFWSPM-AAJLLMFJSA-N 379.529 4.950 0 40 GJAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12 169690646 XNVKQUIGVYDPJL-GREKMHCPSA-N 381.781 4.617 0 40 GJAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 219415009 QBWMBBGHPKVHPF-UHFFFAOYSA-N 391.342 4.864 0 40 GJAB CC(C)Oc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 219679151 NNABUXKAMXBOQU-CYBMUJFWSA-N 378.266 4.642 0 40 GJAB CCOc1cc(C)c([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OCC 222565377 SYEHOGWYUVUIQA-ONGXBYRLSA-N 397.544 4.777 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2ccccc2C(C)C)cc1Cl 222811552 CJQVXCFADZGJGQ-UHFFFAOYSA-N 375.852 4.658 0 40 GJAB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc2c(c1)CCCC2 223138945 TYCIYZOHXLAOSY-SFHVURJKSA-N 393.936 4.657 0 40 GJAB Cc1ccccc1[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 224046796 BWDHPLJRBLSKIL-XMMPIXPASA-N 385.507 4.949 0 40 GJAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccccc1 224088633 JMSIENRLSMCSHQ-UHFFFAOYSA-N 393.439 4.544 0 40 GJAB O=C(COc1ccc2c(c1)CCCC2)NCCSc1ccc(Cl)cc1 224674254 MLNKGMHCVOTEOD-UHFFFAOYSA-N 375.921 4.506 0 40 GJAB COC(=O)c1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1C 225518994 DFIZGXSXRVKSDZ-UHFFFAOYSA-N 390.508 4.858 0 40 GJAB O=C(NCc1cccnc1-c1cccs1)c1cccc(Oc2ccccn2)c1 225761424 MZCSOQBHDWMUHX-UHFFFAOYSA-N 387.464 4.927 0 40 GJAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NC1CCCCCCC1 225805872 RJPPOZSLMWGGEZ-UHFFFAOYSA-N 395.425 4.917 0 40 GJAB Cc1ccccc1-c1noc(CCC(=O)NCc2ccc(Cl)cc2Cl)n1 225815234 HTGJTFFZENGQRT-UHFFFAOYSA-N 390.270 4.601 0 40 GJAB Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)n1 408620467 JCBGULJLROCHKN-ZRDIBKRKSA-N 397.887 4.830 0 40 GJAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC 408902179 LLENYHOORBCPAX-LICLKQGHSA-N 389.860 4.988 0 40 GJAB O=C1S/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1Cc1ccccc1F 409021794 YTONXWOEUYVPSI-UNOMPAQXSA-N 394.427 4.559 0 40 GJAB COC(=O)c1cccc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)c1 409083186 AAKBZJNVBUKCCJ-UNOMPAQXSA-N 377.421 4.819 0 40 GJAB CCOc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc12 409244668 HAINTUAJCPFBBZ-CPNJWEJPSA-N 392.842 4.989 0 40 GJAB C[C@@H]1CCc2ccccc2N1Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1 521396797 ACRNYTOLTJIOMM-LJQANCHMSA-N 398.572 4.593 0 40 GJAB COc1ccc(Nc2nc(C(=O)N3CCc4sccc4[C@H]3C)cs2)cc1 607043922 KQIMYAJJQOKJOU-GFCCVEGCSA-N 385.514 4.716 0 40 GJAB COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Cc2cnccc2C)c1 613439309 XECOVPCVRMYGPD-ILBGXUMGSA-N 386.495 4.699 0 40 GJAB C[C@H](NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1)c1cc(Cl)ccc1Cl 1523956239 OUGPZWNSLKLFNY-IUCAKERBSA-N 380.197 4.647 0 40 GJAB O=C(Nc1ccc(Cl)cc1Nc1ccc(F)cc1)c1cc(O)nc(C2CC2)n1 1556887489 UTEOWBGPSKHOBQ-UHFFFAOYSA-N 398.825 4.848 0 40 GJAB COCc1ccc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)cc1 1615121228 NQWLEOGDJQAYKY-DEOSSOPVSA-N 396.506 4.636 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)c4cc(OC)ccc4OC)c(N)c3cc2C1 661982 ZRJQLWFGAJIOQI-GFCCVEGCSA-N 396.512 4.642 0 40 GJAB Cc1ccc(CSc2nnc(NC(=O)COc3ccc(C)c(C)c3)s2)cc1 702361 MPCSAELTEIWDRT-UHFFFAOYSA-N 399.541 4.773 0 40 GJAB O=C(Nc1cccc2ccccc12)C1CCN(C(=O)c2cccc(Cl)c2)CC1 783951 KJBXMWZKBMRJRJ-UHFFFAOYSA-N 392.886 4.984 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 901910 RRBKVTOSOACLBE-RYUDHWBXSA-N 399.438 4.637 0 40 GJAB Cc1ccc(C)c(Oc2coc3cc(O[C@@H](C)C(=O)OC(C)C)ccc3c2=O)c1 948947 UXYNVQBOLWDXIO-INIZCTEOSA-N 396.439 4.921 0 40 GJAB COc1ccc(-c2cc(C(F)(F)F)n3nc(C(C)(C)C)cc3n2)cc1OC 1040225 ABVPFDWJXPMWFE-UHFFFAOYSA-N 379.382 4.730 0 40 GJAB O=C(CCCC(=O)OCC(=O)c1ccc(F)cc1)Nc1cccc2ccccc12 2191093 GXNDANCLYIYFRK-UHFFFAOYSA-N 393.414 4.514 0 40 GJAB Cc1ccc(CN2C(=O)[C@](O)(c3c[nH]c4ccccc34)c3ccccc32)c(C)c1 2327053 RXUCURWJSKFVCH-RUZDIDTESA-N 382.463 4.567 0 40 GJAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)(C)C)cc3)o2)cc1 2650026 FPIGGIUUAOSCIE-UHFFFAOYSA-N 397.500 4.774 0 40 GJAB CC(=O)c1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 2652143 DPUKGNZNXRXDEF-UHFFFAOYSA-N 397.471 4.732 0 40 GJAB Clc1ccc(-c2nnc(SC[C@H]3CCCCO3)n2Cc2ccco2)cc1 3412905 NPCOSHNOPNTNFU-QGZVFWFLSA-N 389.908 4.901 0 40 GJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 4083471 UOGVUQZHAFLJIR-GBUCOABZSA-N 391.511 4.603 0 40 GJAB CC(=O)O[C@H]1C[C@H]2CCCC[C@]2(C)[C@H]2C[C@@H](O)[C@](C)(C3SCCS3)C[C@H]12 4114360 GEFRKHXTFACOQE-LNAKBZROSA-N 398.634 4.718 0 40 GJAB O=C(O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)n1 4477284 KHGIULIJNXXSGI-UHFFFAOYSA-N 389.358 4.866 0 40 GJAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)C1(C)C 4721859 DOAPFWMHYCYJDH-RTWAWAEBSA-N 376.500 4.794 0 40 GJAB O=C([C@H]1CCCN(Cc2ccccc2F)C1)N1CCC(Cc2ccccc2)CC1 4745027 WMWDKSUEACMBLJ-QHCPKHFHSA-N 394.534 4.519 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)NC2=S)cc1 5068849 CCDZKSWJXQGGLB-YBEGLDIGSA-N 393.295 4.654 0 40 GJAB Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccccc2)c(C)c1 5483306 DLIBROOYDRRHPI-QHCPKHFHSA-N 388.442 4.564 0 40 GJAB O=c1[nH]c(/C=C/c2cccc(Br)c2)nc2sc3c(c12)CCCC3 5695744 MECPXTSNJJWDCI-CMDGGOBGSA-N 387.302 4.796 0 40 GJAB CCN(C(=O)CSc1nc2cc(Cl)cnc2[nH]1)c1cccc2ccccc12 5903686 KMESPCWFGNWMKN-UHFFFAOYSA-N 396.903 4.910 0 40 GJAB CC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 6640466 OQNZQTVNLJDBEY-QFIPXVFZSA-N 397.478 4.688 0 40 GJAB COc1ccccc1-c1nnc(SCCc2ccncc2)n1-c1ccccc1 7111524 VKZJVUJXUGXFLU-UHFFFAOYSA-N 388.496 4.673 0 40 GJAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)c1 7599173 XHWOBQZBYBMXNG-UHFFFAOYSA-N 384.435 4.665 0 40 GJAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 8230435 RLIGYJSZUKECNM-UHFFFAOYSA-N 380.831 4.745 0 40 GJAB CCCc1nc2sc3c(NCc4cccnc4)ncnc3c2c2c1CCC2 8644874 GDWAVBPGLUTHJQ-UHFFFAOYSA-N 375.501 4.688 0 40 GJAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)[nH]n2)c1 8973033 MYOJVYRSQSKVAS-UHFFFAOYSA-N 398.875 4.915 0 40 GJAB O=C(COc1ccccc1Cl)NCc1ccc(-c2nc3ccccc3o2)cc1 9226463 SATNRTOHGKAWMG-UHFFFAOYSA-N 392.842 4.843 0 40 GJAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N(C)Cc4ccco4)sc32)cc1 10030383 XCWNWTSCAMXOSC-UHFFFAOYSA-N 379.485 4.628 0 40 GJAB COc1ccccc1-c1nc(Cn2nnc(-c3ccc(C(C)C)cc3)n2)cs1 10450678 OXYSAAOYRFWTBD-UHFFFAOYSA-N 391.500 4.644 0 40 GJAB O=C(Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccccc1O 12375385 UCFRXYKUCQGTOI-UHFFFAOYSA-N 390.483 4.799 0 40 GJAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3n2C(F)F)cc1 12544526 LJIAREPHQDSVFA-NSHDSACASA-N 389.427 4.753 0 40 GJAB Cc1ccc2nc(S[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)[nH]c2c1 12546495 LTQRZQUGPQRVSE-SECBINFHSA-N 381.288 4.692 0 40 GJAB Cc1[nH]c(SCC(=O)Nc2cccc3cccnc23)nc1Cc1ccccc1 12547513 WUFJOOXGMBCNGT-UHFFFAOYSA-N 388.496 4.588 0 40 GJAB CCOc1ccc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)cc1 12999655 SPOBYMOWLRKTES-UHFFFAOYSA-N 382.485 4.990 0 40 GJAB COc1ccc(NC(=O)[C@H](C)SCc2cccc(Br)c2)cc1 15493433 NANBOODXVNCWTE-LBPRGKRZSA-N 380.307 4.718 0 40 GJAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccccc1OC)C3 19882370 KMUOIZGDTQHQFJ-UHFFFAOYSA-N 399.874 4.760 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Br)c2cccnc12 27930121 SLWUVRUYJYYWRZ-UHFFFAOYSA-N 380.245 4.660 0 40 GJAB O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(COc2ccc3c(c2)CCC3)o1 28243579 AIOQHACAWKKGCQ-UHFFFAOYSA-N 399.450 4.785 0 40 GJAB C[C@@H](NCc1ccc(OCc2ccncc2)cc1)c1ccc(-n2ccnc2)cc1 30544913 OTADZWKBIFEFRR-LJQANCHMSA-N 384.483 4.697 0 40 GJAB Cc1cc(C)c2c(n1)oc1c(SCC(=O)Nc3cccc(Cl)c3)ncnc12 32074743 SSVPKYJEPGJOKU-UHFFFAOYSA-N 398.875 4.772 0 40 GJAB O=C(COc1ccc(Oc2ccccn2)cc1)N[C@H]1CCSc2ccccc21 32339148 AAGDZLUKQZXJOH-IBGZPJMESA-N 392.480 4.606 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nonc1-c1ccc2c(c1)CCCC2 32594078 QHRQYRYDZKIOHQ-IBGZPJMESA-N 395.434 4.551 0 40 GJAB Cc1nc(COc2ccccc2C(=O)Oc2ccc(Cl)c3ccccc23)no1 37133331 BPXDSDGXPOTRRW-UHFFFAOYSA-N 394.814 4.983 0 40 GJAB COc1cc([C@@H](C)n2c(=S)[nH]c3ccccc3c2=O)ccc1OCC(C)C 40087763 WWKHBEZDDNHAQZ-CQSZACIVSA-N 384.501 4.712 0 40 GJAB COc1ccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)cc1 49005244 NNUSGXYKRKKYJP-MRXNPFEDSA-N 390.487 4.705 0 40 GJAB COc1ccc(-c2nc(NC(=O)c3c(F)cccc3F)sc2C)cc1OC 61237047 MZTKGBOUCDYIAH-UHFFFAOYSA-N 390.411 4.666 0 40 GJAB CCCCOc1ccccc1-c1cc2c(=O)n(Cc3ccc(F)cc3)ccn2n1 64977390 SKCJFUGUYRWINZ-UHFFFAOYSA-N 391.446 4.529 0 40 GJAB COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)c3cc4ccccc4o3)n2)c1 79054538 PWLMFUDGYONYHT-LJQANCHMSA-N 387.439 4.809 0 40 GJAB COc1cc(CNc2ccccc2N2C[C@H](C)O[C@H](C)C2)ccc1OC(C)C 84713939 UCZMCTHWRGCBRM-HDICACEKSA-N 384.520 4.708 0 40 GJAB CCC(CC)[C@@H](CCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)OC 89943073 QOJXFPUPFOLRCB-JOCHJYFZSA-N 396.531 4.818 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3ccc(-n4cncn4)cc3C)sc2C)s1 95961535 IETIDWSLTPMTQB-UHFFFAOYSA-N 395.513 4.630 0 40 GJAB Cc1ccc(-c2ncc(CN3CCC[C@H](c4nnc5ccccn45)C3)s2)cc1 97032578 LQDODGXWDUYLRB-SFHVURJKSA-N 389.528 4.541 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718308 LKLGFHLDKPFWJS-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1OCC 222848568 RBACJLIMVZYFIC-HNNXBMFYSA-N 391.895 4.530 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 222888409 MDUCMRMTHHOIBT-FQEVSTJZSA-N 382.504 4.573 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223091457 LYOYGMLQMOOBHL-UXHICEINSA-N 382.577 4.943 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223091567 LYOYGMLQMOOBHL-PMACEKPBSA-N 382.577 4.943 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223718888 IPHSJWYRUYUDMS-IBGZPJMESA-N 389.923 4.990 0 40 GJAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 223843663 IIOUOASNGBAFPZ-IRXDYDNUSA-N 387.917 4.679 0 40 GJAB CCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1 224460970 BGWPHYHODLEHKL-QHCPKHFHSA-N 377.484 4.755 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(SCC(C)C)s1 224786333 BLGLOLOXCRXBKH-AWEZNQCLSA-N 379.551 4.699 0 40 GJAB FC(F)(F)c1cc(NC(=S)NCCCN2CCCCCC2)ccc1Cl 225399583 WQJGVOCAWRBGNY-UHFFFAOYSA-N 393.906 4.911 0 40 GJAB C[C@H]1C[C@H](C)CN(c2cc(Cl)nc(NC(=S)NC3CCCCCC3)n2)C1 226011359 MUNCHQSKYGTEFO-KBPBESRZSA-N 396.004 4.622 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 244236011 WELVXIYOOSTIBO-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@]12C 253505177 RMEZJKHOZLUOHB-NUTKRBGISA-N 388.548 4.606 0 40 GJAB biogenic,in-vitro O=C(Cc1ccccn1)N1CCCC[C@@H]1c1ccc(-c2cccc(F)c2)nc1 257235782 GZKDPKNOCWZRFF-JOCHJYFZSA-N 375.447 4.579 0 40 GJAB COc1cccc(C)c1NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 571364585 CIHIVBKXHONZFA-UHFFFAOYSA-N 383.423 4.695 0 40 GJAB CO[C@H]1C[C@@H]2CN(Cc3ccccc3F)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242896 YCTWNHCTGBLQEV-PLWWPAAYSA-N 393.506 4.582 0 40 GJAB CCOc1ccc2nc(NS(=O)(=O)c3ccc4ccccc4c3)sc2c1 649450 SEEHIHLJIYLBII-UHFFFAOYSA-N 384.482 4.649 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1I 690371 WWBGOZDAIAVKAT-UHFFFAOYSA-N 387.139 4.657 0 40 GJAB Cc1cccc(C)c1NC(=O)C(C)(C)NC(=O)c1ccc(Cl)cc1Cl 792665 DLVQYRUODZGVCG-UHFFFAOYSA-N 379.287 4.757 0 40 GJAB COc1cccc(C(=O)COc2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1 993023 WWEWNLRUVWTRHG-UHFFFAOYSA-N 395.842 4.863 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CC3)cc2c1 1364873 DZLXOQSEZFZUDM-UHFFFAOYSA-N 381.863 4.686 0 40 GJAB O=C(O[C@H](C(=O)NCc1cccs1)c1ccc(Cl)cc1)c1cccs1 1381231 CIYYQGLSRBZRNF-INIZCTEOSA-N 391.901 4.678 0 40 GJAB CCc1cccc(C)c1N(C(=O)Cn1cnc2cc(C)c(C)cc21)[C@H](C)COC 1447787 WMHROXSFSBKQDM-LJQANCHMSA-N 393.531 4.592 0 40 GJAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1Cl 1993679 NQMSCHZSVFZXOC-UHFFFAOYSA-N 379.843 4.654 0 40 GJAB COc1ccc(-n2ccnc2SCC(=O)Nc2c(C)cc(C)cc2C)cc1 2723195 XLDXCLYRFMJWCN-UHFFFAOYSA-N 381.501 4.537 0 40 GJAB CCOC(=O)C1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cccc(Cl)c1 3073395 SUQYWCZYCPFPKY-GOSISDBHSA-N 379.843 4.751 0 40 GJAB COc1ccc([C@@H]2CN3C(=O)c4ccccc4[C@@H]3c3[nH]c4ccccc4c32)cc1 4085167 HOTPJNHJORDMLS-GBXCKJPGSA-N 380.447 4.867 0 40 GJAB biogenic CCCC(=O)Nc1ccc2nc(SCC(=O)NC3CCCCC3)sc2c1 4682098 SRCSTRSQNWKJGB-UHFFFAOYSA-N 391.562 4.576 0 40 GJAB Cc1cccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c1 5099421 UKDQZXYXMFHBKU-UHFFFAOYSA-N 390.508 4.831 0 40 GJAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 5219822 SYTMKGASQUQBOW-WMLDXEAASA-N 387.549 4.821 0 40 GJAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccc(F)cc1Cl 5263812 FXRNFRZVBPTHGV-GFCCVEGCSA-N 389.883 4.999 0 40 GJAB Cc1nn2c(-c3ccccc3NC(=O)c3ccccc3)nnc2c2ccccc12 5321944 YRJVGWOECDOQIS-UHFFFAOYSA-N 379.423 4.505 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H]2CCCc3ccccc32)cc1 5442849 OHUUHYQPDQJGEC-QHCPKHFHSA-N 390.483 4.607 0 40 GJAB Cc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 5498787 VHCSZPWUCPLHRG-FQEVSTJZSA-N 381.907 4.614 0 40 GJAB COc1ccc(Cl)cc1-c1n[nH]c(SCCOc2cccc(C)c2)n1 6066781 FPZOOUXRAYKMKL-UHFFFAOYSA-N 375.881 4.613 0 40 GJAB O=c1[nH]c2scc(-c3ccccc3)c2c(=O)n1-c1ccc(Cl)c(Cl)c1 6448860 XMKRUAUAGJWOOW-UHFFFAOYSA-N 389.263 4.714 0 40 GJAB CCOc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)sc2=S)cc1 6693816 VKYIPTYZQZCCLW-UHFFFAOYSA-N 382.514 4.803 0 40 GJAB CCOc1ccc2nc(NC(=O)c3cc(=O)c4cc(C)cc(C)c4o3)sc2c1 6811431 RFCCDADMMSWJMG-UHFFFAOYSA-N 394.452 4.671 0 40 GJAB COc1cc(CNCCc2ccc(F)cc2)ccc1OCc1ccc(F)cc1 8471584 ZNGCRTSHGDIZGY-UHFFFAOYSA-N 383.438 4.885 0 40 GJAB O=C(c1ccccc1)C1CCN(C(=O)c2ncc(Cl)c(Cl)c2Cl)CC1 9989032 GWDYGBVYRGHEIV-UHFFFAOYSA-N 397.689 4.777 0 40 GJAB CCCn1ccnc1SCc1csc(N(C(C)=O)c2ccccc2F)n1 10270585 REDJYOSGYUXAJE-UHFFFAOYSA-N 390.509 4.866 0 40 GJAB CCc1nnsc1C(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 12552378 MLGYMPPXEQLREI-UHFFFAOYSA-N 399.426 4.765 0 40 GJAB O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12581543 BUMYEHKQARCGCL-IBGZPJMESA-N 388.496 4.593 0 40 GJAB CC(=O)Nc1ccc2c(COC(=O)C3CCC(C(C)(C)C)CC3)cc(=O)oc2c1 12980066 PLLPERZXGBZIEA-UHFFFAOYSA-N 399.487 4.647 0 40 GJAB Cc1ccc(OCc2nc(C)c(C(=O)NCc3ccccc3Cl)s2)cc1 12995397 MUVHBDGJJUWGDD-UHFFFAOYSA-N 386.904 4.922 0 40 GJAB CCOCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2ccccc21 13081111 YLOPBMBNOSZHAO-UZYVYHOESA-N 395.311 4.787 0 40 GJAB O=C(NCCC(=O)N(Cc1cccs1)Cc1cccs1)Nc1ccccc1 14120676 MTVAZJASIAFUBM-UHFFFAOYSA-N 399.541 4.550 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3OCC(F)(F)F)c12 14372736 YXDUKUIQVDVXJW-UHFFFAOYSA-N 391.349 4.602 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 14398417 DGALEIQYPJETMF-UHFFFAOYSA-N 397.950 4.601 0 40 GJAB Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccccc3)Cc3ccco3)oc2c1 15831255 XUFAALJYWPPQRT-UHFFFAOYSA-N 387.435 4.845 0 40 GJAB Cc1ccsc1CN(C)Cc1nc(-c2cccnc2OC2CCCCC2)no1 19238568 FDWGTVQLTGKXFU-UHFFFAOYSA-N 398.532 4.845 0 40 GJAB COc1ccc(-c2noc(-c3cccc(NC(=O)C4CCCCC4)c3)n2)cc1 20900039 VSIZFSCSLSCEMW-UHFFFAOYSA-N 377.444 4.931 0 40 GJAB CCN(CC)Cc1ccccc1CNC(=O)c1ccccc1SC(F)F 22459953 OSEHSLGMQCJDAA-UHFFFAOYSA-N 378.488 4.773 0 40 GJAB C[C@H]1c2ccsc2CCN1Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 23908962 QNQUKUJZDGHTGO-ZDUSSCGKSA-N 393.537 4.832 0 40 GJAB Cc1ccc2c(COC(=O)c3csc(-c4ccsc4)n3)cc(=O)oc2c1 25185578 XTANBQJZTZVRLP-UHFFFAOYSA-N 383.450 4.643 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nc(-c2ccccc2)cs1 26765207 VFSIHZSFYJUJHM-UHFFFAOYSA-N 388.496 4.794 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(-n2ccnc2)cc1 30758421 PQXVPOXXJVHVMU-UHFFFAOYSA-N 381.479 4.711 0 40 GJAB CCSCn1nnc(-c2ccc(OC)cc2)c1C(=O)Nc1cccc(C)c1C 32611880 XZMFCYPUWWMXED-UHFFFAOYSA-N 396.516 4.533 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1C 33245397 MYOZKLQCSGALKQ-HNNXBMFYSA-N 399.541 4.853 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 40112870 GXHFHRRKVHVOLS-AWEZNQCLSA-N 381.501 4.792 0 40 GJAB Cc1ccc2cccc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)c2n1 57315720 YYRHRYJKRJUIRU-UHFFFAOYSA-N 393.512 4.705 0 40 GJAB CC1=NN(c2ccc(C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)cc2)CC1 58193829 FSXQMBFTLHJYMA-OAQYLSRUSA-N 393.487 4.993 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1C 59227361 AKGHIEPEQMIWRM-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1 67296315 JDOYJDOLRFRBHJ-FLFQWRMESA-N 375.815 4.966 0 40 GJAB COc1cc(OC)c2cc(C(=O)N(Cc3ccncc3)C3CCCCC3)[nH]c2c1 72390309 INCANHQMGCSGGK-UHFFFAOYSA-N 393.487 4.555 0 40 GJAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1ccc(F)cc1 89873310 VAKGWBAQOATORA-UHFFFAOYSA-N 393.805 4.635 0 40 GJAB O=C(O)c1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 95424255 IVCQCLFPBVEESM-UHFFFAOYSA-N 397.434 4.549 0 40 GJAB CN1C(=O)CCc2cc(NC(=O)N3CCCC[C@@H]3CCc3ccccc3)ccc21 95467114 UWIGEVRBHKFTTI-OAQYLSRUSA-N 391.515 4.615 0 40 GJAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3c(C)cccc3C)n2)cc1 95962632 CZQFSFPNOARFEV-HNNXBMFYSA-N 393.512 4.876 0 40 GJAB O=C(O)C/C(=C/c1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2o1 96891518 GKHMKAOPPMSVBF-JYRVWZFOSA-N 385.803 4.658 0 40 GJAB Cc1ccc(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)c(Br)n1 134099900 JVGRLZMEMHZKRR-UHFFFAOYSA-N 399.292 4.714 0 40 GJAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223424858 AAAFZJCOXJFVTD-NFBKMPQASA-N 394.559 4.650 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)n1 223502517 HNMXHDXVWFMJIP-FQEVSTJZSA-N 375.516 4.965 0 40 GJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCCC(C)C)o2)c(OC)c1 224937203 WTOQVFZJFHQBJG-UHFFFAOYSA-N 394.471 4.802 0 40 GJAB Cc1cc(C)nc(N2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)n1 257238462 HLCGFLNGKNFJMV-FQEVSTJZSA-N 376.479 4.602 0 40 GJAB CC(C)CC(=O)N1CCC[C@@H]1c1ccc(C(=O)O)c(-c2ccc(Cl)cc2)n1 257328061 XDYMPTYFMURTOA-GOSISDBHSA-N 386.879 4.810 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1Cl 408556648 IWVDXQDYJQPIMA-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)CC1 408708574 QNVNSIBNRPQOKC-XEVCZEQESA-N 384.564 4.768 0 40 GJAB O=C(O)Cc1sc(=Nc2ccc(Cl)cc2Cl)[nH]c1-c1cccs1 408900865 YFVWWAVURQYMKA-UHFFFAOYSA-N 385.297 4.971 0 40 GJAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccccc4)o3)C2=O)c1 409221198 MMDZVHMRULSCEI-CPNJWEJPSA-N 390.464 4.832 0 40 GJAB FC(F)(F)c1cccc([C@H](NCc2nc(-c3ccncc3)no2)C2CCC2)c1 585081384 TULMOAMMDXJPEB-GOSISDBHSA-N 388.393 4.781 0 40 GJAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CC(C)(C)C)CCOCCO2 643572198 AYLSWXPVZIGCEH-UHFFFAOYSA-N 395.543 4.760 0 40 GJAB O=C(O)[C@@H](c1c(F)cccc1Cl)N1CCC(c2cccc(F)c2F)CC1 652449927 VSQJGXBCCWISFI-GOSISDBHSA-N 383.797 4.763 0 40 GJAB O=C(N[C@@H]1C[C@H](C(=O)O)c2ccccc21)OCC1c2ccccc2-c2ccccc21 723268136 ASVZIEVAFBQBPI-JTHBVZDNSA-N 399.446 4.838 0 40 GJAB Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)C[C@@H](c1cccs1)C2 2469592 VLUIOMLCWRDHCP-HNNXBMFYSA-N 395.480 4.533 0 40 GJAB Cc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C 3238926 LJBJQGRREHRIJV-CYBMUJFWSA-N 396.270 4.559 0 40 GJAB Cc1ccc(N2C[C@@](O)(c3ccc(Cl)c(Cl)c3)[N+]3=C2CCCCC3)cc1 4086848 QWEAZQRAMNZTGJ-OAQYLSRUSA-N 390.334 4.952 0 40 GJAB COc1ccc(-c2c(C)c3ccc(OC(=O)C(C)(C)C)cc3oc2=O)cc1OC 4340135 KOXSBCCEIOAMMH-UHFFFAOYSA-N 396.439 4.737 0 40 GJAB biogenic Cc1csc(SCc2cc(=O)c(OC(=O)c3cc4ccccc4o3)co2)n1 4518850 VODZLRPYYDNNSW-UHFFFAOYSA-N 399.449 4.662 0 40 GJAB CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 4703029 FSZZURFIJRRMMN-IBGZPJMESA-N 394.515 4.810 0 40 GJAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cccc(C(F)(F)F)c1 4866508 MRRMSZBIROPAKW-UHFFFAOYSA-N 385.695 4.521 0 40 GJAB Cc1ccc(C2=NN(C(=O)CSc3nc(C)cs3)[C@@H](c3ccco3)C2)cc1 5101563 RSOAXTABAFRNSO-QGZVFWFLSA-N 397.525 4.823 0 40 GJAB Cc1nnc2ccc(-c3cccc(NC(=O)c4cccc5ccccc45)c3)nn12 5168919 BSKCCAKBKAHBMS-UHFFFAOYSA-N 379.423 4.505 0 40 GJAB CCc1nc(SCC(=O)Nc2ccc(F)cc2)c2oc3ccccc3c2n1 5501146 OGLRDOHLUZFMIP-UHFFFAOYSA-N 381.432 4.808 0 40 GJAB Cc1cc2ncn(S(=O)(=O)c3ccc(Cl)c(Cl)c3Cl)c2cc1C 6189413 WUCTWJSIQFMKRJ-UHFFFAOYSA-N 389.691 4.850 0 40 GJAB CCCc1ccc(-c2csc(NC(=O)COc3ccccc3OC)n2)cc1 6221620 WCDMAUKATKWVFB-UHFFFAOYSA-N 382.485 4.789 0 40 GJAB CCCCOc1cccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)c1 6323577 CKPXERBZNKLZAX-UHFFFAOYSA-N 384.457 4.514 0 40 GJAB CCCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCC)cc2)cc1 6767585 MRYMXMCBUXUFNX-UHFFFAOYSA-N 381.432 4.567 0 40 GJAB CCCOc1c(Cl)cc(C(=O)OCC(=O)c2ccccc2)cc1OCC 6891069 FHXOHDMDCMTKBD-UHFFFAOYSA-N 376.836 4.567 0 40 GJAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(CC(=O)O)cc3)c2C)cc1 7375785 IHXJTSLQICMXIM-MDWZMJQESA-N 389.451 4.626 0 40 GJAB COc1ccccc1-n1c(SCc2cc(C)no2)nnc1-c1cccs1 8163782 KYDKCPDCBPNKGU-UHFFFAOYSA-N 384.486 4.593 0 40 GJAB CCOCCCNCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 8253169 DIKBTRXIJKAXOJ-UHFFFAOYSA-N 381.875 4.583 0 40 GJAB Cc1nc2cc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)ccc2o1 8327742 CDSIVBJNKDFOQG-UHFFFAOYSA-N 375.384 4.542 0 40 GJAB O=C(CN(C1=NCCCCC1)c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 8418846 YDKSNUDUZFBMGN-UHFFFAOYSA-N 398.890 4.773 0 40 GJAB Cc1ccc(OCc2n[nH]c(SCC(=O)Nc3ccccc3C(C)C)n2)cc1 8507291 SZAKGUBRKNAPMW-UHFFFAOYSA-N 396.516 4.546 0 40 GJAB COc1ccc(-c2noc(CCCC(=O)Nc3cccc(Cl)c3C)n2)cc1 8673566 SXIDKMVLEKDAIV-UHFFFAOYSA-N 385.851 4.668 0 40 GJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1ccc(Cl)cc1Cl 8706018 TUZLFZUNABIIGV-UHFFFAOYSA-N 383.300 4.642 0 40 GJAB O=C1C[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ccccc2N1 10643060 IIJFSFJKYYSPJC-KNQAVFIVSA-N 390.870 4.672 0 40 GJAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3n2C(F)F)cc1 12544525 LJIAREPHQDSVFA-LLVKDONJSA-N 389.427 4.753 0 40 GJAB CSCc1ccc(C(=O)NCCSc2ccc(Br)cc2)cc1 12806897 GTSBXXDMSSAJTI-UHFFFAOYSA-N 396.375 4.834 0 40 GJAB Cc1ccc([C@H](Nc2ccc3nnc(C(F)(F)F)n3n2)c2cccs2)cc1 13010329 ASIGPYWAITTYDL-INIZCTEOSA-N 389.406 4.715 0 40 GJAB Cc1ccc(C)c(Cn2c(CCNC(=O)Cc3ccccc3)nc3ccccc32)c1 13017364 ABETZKNPQPMFJW-UHFFFAOYSA-N 397.522 4.603 0 40 GJAB CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)Cc1ccc(Cl)cc1Cl 13648994 MVUAKOZTSNATMV-UHFFFAOYSA-N 399.343 4.560 0 40 GJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 14398267 YVOZMTRVPMSEBT-INIZCTEOSA-N 398.684 4.907 0 40 GJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1Cl 14596194 IHRCEJOVDPBCCM-UHFFFAOYSA-N 387.785 4.565 0 40 GJAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 14609397 WFKCRSVAGZYCBF-UHFFFAOYSA-N 384.439 4.585 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1csc(-c2ccc(C)cc2)n1 15832585 VDRLOCKNHPMCHZ-LJQANCHMSA-N 384.476 4.731 0 40 GJAB CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)N3CCSCC3)cc12 16846979 QTKOLZWZNXZXKU-UHFFFAOYSA-N 392.524 4.798 0 40 GJAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(Oc2ncccn2)cc1 19372806 UCNFSJHEPOGCGF-UHFFFAOYSA-N 388.452 4.569 0 40 GJAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 20488342 QHUFIXKBOFMTHK-CABCVRRESA-N 391.895 4.619 0 40 GJAB CCCCn1c(C)c(C)c2c1ncn1nc(-c3ccccc3Br)nc21 21801446 YNZOSBWQAQWPJP-UHFFFAOYSA-N 398.308 4.925 0 40 GJAB COc1cccc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)c1 21957727 AULMKKDSDFPSRM-FNORWQNLSA-N 384.229 4.875 0 40 GJAB Cc1noc(CSc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)n1 24991184 OXDIJBDKZSZJFH-UHFFFAOYSA-N 377.828 4.715 0 40 GJAB O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccc(Br)o1 28227890 ZBSKZTYSMSAIND-UHFFFAOYSA-N 396.244 4.692 0 40 GJAB CC(C)(C)c1ccc2c(Cl)c(C(=O)NCCCn3ccnc3)sc2c1 28629229 LKRUVEHQGDMUAZ-UHFFFAOYSA-N 375.925 4.869 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C 30855943 RECCDDUYWJRIBN-IBGZPJMESA-N 388.895 4.522 0 40 GJAB Cc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1C(F)(F)F 32859874 VXIULDRNUBLIEC-HNNXBMFYSA-N 379.378 4.824 0 40 GJAB O=S(=O)(CCCc1ccccc1)Cc1coc(-c2cccc(Cl)c2)n1 40070025 KRYKATQHPIVRQZ-UHFFFAOYSA-N 375.877 4.543 0 40 GJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cn(-c2ccccc2)nn1 40073704 DBNWFLFGBFUINB-UHFFFAOYSA-N 397.463 4.796 0 40 GJAB O=C(NCc1nc2ccccc2s1)Nc1ccc(OC(F)F)c(Cl)c1 40103225 PFLMGSMFODXRKV-UHFFFAOYSA-N 383.807 4.873 0 40 GJAB Cc1ccc(SCC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1 40106735 CZBGUCXQXDDAEF-UHFFFAOYSA-N 390.508 4.656 0 40 GJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 65491890 AFRBYZMTHFGEIK-UHFFFAOYSA-N 393.299 4.862 0 40 GJAB CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccn1 67296252 ARYXNDSXJQJLAK-BZZOAKBMSA-N 385.423 4.711 0 40 GJAB Cc1cc(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc23)ccc1Cl 71775395 HQNDYEPAJMMLDH-UHFFFAOYSA-N 391.652 4.505 0 40 GJAB COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72349652 UOARWDMRGOUMDZ-FQEVSTJZSA-N 378.516 4.577 0 40 GJAB Cc1cc(=O)oc2cc(Oc3ncccc3NC(=O)CC3CCCC3)ccc12 72404155 SWXFXDILXSRURY-UHFFFAOYSA-N 378.428 4.808 0 40 GJAB biogenic C[C@](O)(CNC(=O)c1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1 77184147 UZINCKBPRGGWBW-QFIPXVFZSA-N 383.850 4.784 0 40 GJAB Fc1cccc(C2(c3nnc(-c4ccc5ccccc5n4)o3)CCOCC2)c1 84598171 IQHHGGMGALRYKX-UHFFFAOYSA-N 375.403 4.520 0 40 GJAB COc1ccc(NC(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1 101093566 JFUISQWDZVXOCQ-UHFFFAOYSA-N 393.443 4.800 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)C[C@H](c2ccccc2)C1 102709634 JUFNTDMMAPEXIK-RNODOKPDSA-N 378.382 4.622 0 40 GJAB COc1ccc([C@@H]2CCCCN(C(=O)c3cc4cccc(OC)c4o3)C2)cc1 208002569 VTRJLISXZZHWIE-GOSISDBHSA-N 379.456 4.860 0 40 GJAB COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 210198085 OWGCYINHCJGVRJ-CXUHLZMHSA-N 375.833 4.598 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1C 222884863 WKBUKALJRKVXCW-NHCUHLMSSA-N 376.529 4.563 0 40 GJAB Cc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1Cl 224118649 SFZSHWLMWNBZIO-CYBMUJFWSA-N 384.328 4.978 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(C)c(Cl)c1 224164538 MHHAAKAURKPEIY-SFHVURJKSA-N 382.287 4.654 0 40 GJAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(C)c(C)c1 224284208 ZKWJVJUGZDWUQT-NHCUHLMSSA-N 376.529 4.697 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(Cl)cc1 224454545 OWDFVCLFBNTRQH-FQEVSTJZSA-N 383.875 4.846 0 40 GJAB O=C(Cc1cccc(Br)c1)NCCSCc1cccc(Cl)c1 225612795 BFXSDGLLAYTTMX-UHFFFAOYSA-N 398.753 4.695 0 40 GJAB COc1cc(C)c(C(=O)NCCSCc2ccccc2F)cc1C(C)C 225661611 MRCVZIOZNWIVOV-UHFFFAOYSA-N 375.509 4.929 0 40 GJAB Fc1cc(Br)ccc1NC(=S)NC1(c2ccco2)CCCC1 225861202 PMEUESKHJUYESI-UHFFFAOYSA-N 383.286 4.937 0 40 GJAB CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)Cc2cccnc2)CO[C@H]1c1ccc(F)cc1 257247588 IZPGZMYYDVTQHJ-XWGVYQGASA-N 396.506 4.558 0 40 GJAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)on1 257293998 QRZPVEKELSCVHU-MRXNPFEDSA-N 397.450 4.536 0 40 GJAB COc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccc(Cl)cc1Cl 408701315 WDGPLHDNZMKPIZ-UHFFFAOYSA-N 388.316 4.604 0 40 GJAB O=C(O)c1ccc(CN2CCC(Cc3ccc(F)c(F)c3)CC2)cc1Cl 579118804 CGLXKYYAWSCYRG-UHFFFAOYSA-N 379.834 4.771 0 40 GJAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cc(-c2ccccc2)[nH]n1 585150601 WTBHYQFHAPEAIT-UHFFFAOYSA-N 383.455 4.529 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 592780878 SDTCVUWYPRKJRZ-MRXNPFEDSA-N 388.653 5.000 0 40 GJAB COC(=O)[C@@H](Sc1nc2ccc(OC)cc2[nH]1)c1ccc(Cl)c(Cl)c1 1559311189 JGHHWCWEYQHXKC-HNNXBMFYSA-N 397.283 4.885 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCOc2ccccc2)N1c1cccc(F)c1 1615153764 FCDRPBQPQTWGDE-VXKWHMMOSA-N 396.506 4.643 0 40 GJAB COc1ccc(-c2nccc(Nc3ccc(Oc4ccc(C)nn4)cc3)n2)cc1 1655154792 SMUKEZKQYGDZHA-UHFFFAOYSA-N 385.427 4.787 0 40 GJAB CNc1oc(-c2ccc(Cl)cc2Cl)nc1S(=O)(=O)c1ccc(C)cc1 635311 XWECQEGLIAUUGZ-UHFFFAOYSA-N 397.283 4.831 0 40 GJAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n21 882895 WKPKFZNMFZUMHJ-UHFFFAOYSA-N 398.919 4.621 0 40 GJAB CSc1nc2sc3c(c2c2nnc(SC(C)C)n12)C[C@@H](C(C)C)OC3 1254826 NTMLYHVXPDKMOG-NSHDSACASA-N 394.591 4.659 0 40 GJAB Cc1cc(C)c(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(OCC(C)C)n1 1388777 YGLOQBXROJLHCW-UHFFFAOYSA-N 387.423 4.585 0 40 GJAB O=C(O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1ccc(-c2ccccc2)cc1 2580195 FUCJVBLRANSGOH-UHFFFAOYSA-N 376.252 4.527 0 40 GJAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)o1 2623664 KIJIHMKQXQTLRL-UHFFFAOYSA-N 387.530 4.718 0 40 GJAB CCCCOc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1 3179651 BMHLFGLJULFBDW-FYYLOGMGSA-N 378.516 4.622 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3)s2)c1C 3284363 ISJNNDOLQRRBBG-HNNXBMFYSA-N 398.557 4.868 0 40 GJAB Cc1nc(NC(=O)c2cc3ccccc3o2)sc1Cc1ccc2c(c1)OCO2 3419990 VQAPEODFXIIYMQ-UHFFFAOYSA-N 392.436 4.770 0 40 GJAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)Cc1cccnc1 4054586 DWNKLNNIALBMHH-UHFFFAOYSA-N 376.243 4.624 0 40 GJAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)CSC3)cc1 4087593 BTQMIAPPMOMGSU-UHFFFAOYSA-N 393.512 4.967 0 40 GJAB COc1cccc(CSc2nnc(C(F)(F)F)n2Cc2ccc(F)cc2)c1 4107084 BHOCEKUVHFECJN-UHFFFAOYSA-N 397.397 4.785 0 40 GJAB O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccccc1F 4225246 TYHOQPLIKWWQNO-LJQANCHMSA-N 399.469 4.939 0 40 GJAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)c1c[nH]c2ccccc12 4287176 BPAUASZIDULDGH-LBPRGKRZSA-N 396.903 4.980 0 40 GJAB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 4477544 NSDDZZJDZQZEGK-OAQYLSRUSA-N 382.822 4.600 0 40 GJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3)c3ccccn23)cc1C 4585203 GDYNXQMNXVDPEE-UHFFFAOYSA-N 383.451 4.622 0 40 GJAB COc1ccc(Cc2nnc(SCc3ccccc3Cl)o2)cc1OC 4943097 JWFSVIVZFSVUAG-UHFFFAOYSA-N 376.865 4.623 0 40 GJAB CCSc1nnc([C@@H]2CCCN2C(=O)[C@H](c2ccccc2)C2CCCC2)n1C 5001647 FYDQXIYEGKWOOA-RBUKOAKNSA-N 398.576 4.565 0 40 GJAB O=c1c(N2CCN(C/C=C/c3ccccc3)CC2)csc2ccc(Cl)cc12 5202475 VDTQOMBWIPQBCW-QPJJXVBHSA-N 396.943 4.750 0 40 GJAB Cc1cc(C)cc(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1 5625879 DIQPSCCLHCRPMM-UHFFFAOYSA-N 396.922 4.651 0 40 GJAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1NCc1ccco1 5894357 KPGUCKQIICHTML-UHFFFAOYSA-N 393.483 4.834 0 40 GJAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 6056273 YKLOOBLJDOSAOS-HNNXBMFYSA-N 377.513 4.736 0 40 GJAB Cc1occc1-c1nnc(SCc2cc(Cl)c3c(c2)OCCCO3)o1 7086667 QCHNHQQZNCUWKN-UHFFFAOYSA-N 378.837 4.745 0 40 GJAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H](c2nc3ccccc3s2)C1 7775863 GCDKBCDZVNUGEO-INIZCTEOSA-N 388.496 4.706 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)cc1Cl 7928631 OPYVVEWXIKATIK-OAHLLOKOSA-N 385.891 4.904 0 40 GJAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8103680 TWLOIQMXVXTRHH-LSDHHAIUSA-N 384.476 4.609 0 40 GJAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1)N(c1nccs1)C3=O 8549555 TVJSZDKMXOQUSF-GOSISDBHSA-N 388.448 4.616 0 40 GJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C)cc2)CC1=O 8844972 MVVBDGKYFZJCOV-IBGZPJMESA-N 391.515 4.540 0 40 GJAB O=C(C1CCN(Cc2ccccc2F)CC1)N1CCC(Cc2ccccc2)CC1 9063487 XDKFNQUUQKFKOH-UHFFFAOYSA-N 394.534 4.519 0 40 GJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1C 9665526 OELQARPHOHAXQP-UHFFFAOYSA-N 394.544 4.627 0 40 GJAB CCCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccccc2c1=O 10022354 KBXXPKKAWWLJHK-UHFFFAOYSA-N 395.528 4.661 0 40 GJAB CCc1cccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)c1 10273429 DCBCVTZEWISASJ-UHFFFAOYSA-N 397.478 4.745 0 40 GJAB CCc1cc(C(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)no1 12186538 RDAIRWBIASQGBH-LJQANCHMSA-N 383.423 4.789 0 40 GJAB Cc1ccc(Nc2nc(NCCc3ccccc3)nc3nccnc23)cc1Cl 13010942 SDQBDYUIKBIGSV-UHFFFAOYSA-N 390.878 4.780 0 40 GJAB CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(CCC)c(C)s2)cc1 15355024 HEISNAHWPWXTMQ-UHFFFAOYSA-N 387.501 4.787 0 40 GJAB CCC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3CC)n3ccsc23)C1 19523087 XVJWBSHLLMBFCN-MRXNPFEDSA-N 382.533 4.818 0 40 GJAB Cc1nc2sc(C(=O)Nc3cc(Cl)c4oc(C)cc4c3)c(C)c2c(=O)[nH]1 19719001 FQNCQWGKYHBVBT-UHFFFAOYSA-N 387.848 4.562 0 40 GJAB Cc1ccc([C@](O)(CCNC(=O)Nc2ccc(C)c(Cl)c2)C(F)(F)F)o1 24839104 PDQZAOWOPRSKOW-MRXNPFEDSA-N 390.789 4.512 0 40 GJAB Cc1ccccc1NC(=O)c1c(N)n(C(=O)c2ccc(F)cc2)c2ccccc12 28535131 WGBCVLPNZFBBSQ-UHFFFAOYSA-N 387.414 4.612 0 40 GJAB CC[C@H](Nc1ccc2c(c1)c1ccccc1n2CC)C(=O)Nc1cc(C)on1 28625730 VKMQRPSOFQTLRO-SFHVURJKSA-N 376.460 4.940 0 40 GJAB COc1ccccc1-c1nc(CNc2ccccc2N2CCCC2=O)cs1 32836263 XZKPXOIMKVRNTP-UHFFFAOYSA-N 379.485 4.558 0 40 GJAB CC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 32926334 YBWVLKRMEFITBS-UHFFFAOYSA-N 378.664 4.650 0 40 GJAB CCOc1ccc(-n2nnc(-c3nc(-c4cccc(OC)c4)cs3)c2C)cc1 38486435 AEZXVBNLBPCTCN-UHFFFAOYSA-N 392.484 4.774 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 39762887 UHMFDCACKQFNCC-SFHVURJKSA-N 384.951 4.690 0 40 GJAB COCc1ccccc1C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1 40112458 WMFMJXCSPLJVNK-UHFFFAOYSA-N 376.456 4.567 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccccc1Cl 44847860 OCIPINOGQNDMJL-IBGZPJMESA-N 393.936 4.556 0 40 GJAB CCCc1nc(CSc2nc(-c3ccccc3Br)n[nH]2)cs1 45525809 JMMDFJYBCSGFER-UHFFFAOYSA-N 395.351 4.936 0 40 GJAB CCCCNc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213696 MAJGLNNNKUWWMP-FQEVSTJZSA-N 387.549 4.518 0 40 GJAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(Cl)cc2)[nH]n1 72331594 KKEVGDXHYBHNJC-UHFFFAOYSA-N 383.879 4.839 0 40 GJAB CCc1ncc(CN2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)cn1 72350248 XRHLSGNBKNKUIV-GOSISDBHSA-N 376.479 4.620 0 40 GJAB CCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccc(Cl)cc1 85397567 NLIBNAWCTSFRNC-UHFFFAOYSA-N 388.876 4.801 0 40 GJAB COc1cccc(NC(=O)NCc2sc(-c3cccs3)nc2C)c1OC 90592813 PYIJSXOIIWJFMQ-UHFFFAOYSA-N 389.502 4.519 0 40 GJAB O=C(Cc1ccccc1Cl)NCc1ccc(C(=O)c2cccs2)s1 90610563 LPPNMVDDQHHLIZ-UHFFFAOYSA-N 375.902 4.553 0 40 GJAB COc1ccc([C@@H]2CCCCN(C(=O)c3cc(Br)cs3)C2)cc1 206886069 FTRHWJNTZREBJG-CQSZACIVSA-N 394.334 4.929 0 40 GJAB O=C1O[C@@]2(CCCN(C(=O)c3ccc(-c4ccsc4)cc3)C2)c2ccccc21 211111811 DNKXEEBUDDGWOW-HSZRJFAPSA-N 389.476 4.717 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 222958489 PDGBDPLMPOKGMM-KRWDZBQOSA-N 375.852 4.540 0 40 GJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cc(C)ccc3OC)o2)cc1 224859442 POUYYBNYRLJUQI-UHFFFAOYSA-N 380.444 4.629 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1C1CCCC1 225030588 VWWXEJCEGRJHJC-YADHBBJMSA-N 388.540 4.787 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 225529848 VHBOKAHFACJLIS-REWPJTCUSA-N 394.559 4.650 0 40 GJAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(Cc3ccc(Cl)cc3)oc12 226271309 AJTAELZTSUYDFA-UHFFFAOYSA-N 382.769 4.906 0 40 GJAB O=C(O)Cc1sc(=Nc2ccc(Cl)c(Cl)c2)[nH]c1-c1ccccc1 408885872 GFQJSHUCTXUNQT-UHFFFAOYSA-N 379.268 4.910 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(I)c(C)c2)cc1Cl 409051333 CFMHBHZMSIQWGZ-UHFFFAOYSA-N 385.632 4.814 0 40 GJAB Cc1ccc2c(c1Br)CN(C(=O)Nc1cccc(OCCF)c1)C2 666335515 KJHXCYFEMLOSLP-UHFFFAOYSA-N 393.256 4.654 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 901886 WDUGIOHUIFLAIC-GFCCVEGCSA-N 399.438 4.639 0 40 GJAB C[C@H]1CCCN(C(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)C1 922140 NMIDQEAECHFBJO-HNNXBMFYSA-N 395.503 4.787 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(C)n2-c2cccc(Cl)c2)c1C 925049 ZIIBSQNYZMZJRT-UHFFFAOYSA-N 386.908 4.577 0 40 GJAB COc1ccccc1CCNC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1 998973 IDGCELZIMKRGKO-UHFFFAOYSA-N 393.483 4.963 0 40 GJAB COc1ccc(-n2c(SCc3ccc(C)cc3)nc3ccccc3c2=O)cc1 1088859 KAEKBVPZBIYEOY-UHFFFAOYSA-N 388.492 4.995 0 40 GJAB O=C(Nc1ccc2ccccc2c1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 2638790 SRNXGTDSWASKNF-JOCHJYFZSA-N 396.446 4.639 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc(F)c(F)c(F)c2F)sc(C)c1CC 3273598 ROXUWRSIGAUNQA-UHFFFAOYSA-N 389.370 4.604 0 40 GJAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NCCC1=CCCCC1 3390830 QGYNYJDZDANNCF-INIZCTEOSA-N 396.560 4.632 0 40 GJAB CCc1cccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c1 3426541 GWHFFMZVBZEKBY-UHFFFAOYSA-N 394.544 4.726 0 40 GJAB CC1(C)CC(NCC(=O)N2c3ccccc3C=Cc3ccccc32)CC(C)(C)N1 4644964 HDNMHQRKVIYXHH-UHFFFAOYSA-N 389.543 4.734 0 40 GJAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc(Cl)cc1Cl 5249151 FGLSZSIVEHNQLO-UHFFFAOYSA-N 387.679 4.649 0 40 GJAB O=C(/C=C/c1ccccc1)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 5389816 RXXURPGSOGAPJQ-OONMUKGGSA-N 379.475 4.734 0 40 GJAB CN(C)C[C@H]1CCCC[C@@H]1OC(=O)CCCOc1ccc(Cl)cc1Cl 5526193 XBTCUCCTGZQYBA-PBHICJAKSA-N 388.335 4.816 0 40 GJAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(Cl)ccc1Cl 5861677 GPKFSXVTIBJWKR-UHFFFAOYSA-N 380.271 4.587 0 40 GJAB C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)NCc1ccco1 6114559 CFSJNLQKSVBHTM-CYBMUJFWSA-N 395.509 4.748 0 40 GJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCC)cc1 6752973 NBEVBCAMEKMDKE-JOCHJYFZSA-N 391.471 4.526 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)c1 6852082 FMWICELGGCUGFU-UHFFFAOYSA-N 378.403 4.615 0 40 GJAB CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)c1 6994066 YPPCDXZDXNSELV-UHFFFAOYSA-N 387.411 4.607 0 40 GJAB CCc1ccc(-c2csc(NC(=O)Cc3cc(C(C)=O)ccc3OC)n2)cc1 7471676 NDSOVGOPUFHNBS-UHFFFAOYSA-N 394.496 4.765 0 40 GJAB CCOCCCNC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl 7782811 MOZBHLGJGGMOPN-UHFFFAOYSA-N 382.287 4.729 0 40 GJAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c(Cl)c1 8268804 YMAGGCGKWMSWGO-UHFFFAOYSA-N 392.902 4.530 0 40 GJAB COCCc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)n2)cc1 8703877 YNSZOVYIXLOPRP-MRXNPFEDSA-N 396.512 4.713 0 40 GJAB COc1ccc(C(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1 9651455 NWTSHIMGRSRALM-UHFFFAOYSA-N 389.455 4.781 0 40 GJAB CSc1ccc(CC(=O)Nc2nc3ccc(Br)cc3s2)cc1 10252237 WJMYNYQIRSVWGA-UHFFFAOYSA-N 393.331 4.962 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@@H]1c1ccn(C)n1 12119546 VFUBDZICIWAYPZ-GOSISDBHSA-N 398.894 4.794 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@H]1c1ccn(C)n1 12119548 VFUBDZICIWAYPZ-SFHVURJKSA-N 398.894 4.794 0 40 GJAB Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 12323604 GMHVULFIUFZJAH-AWEZNQCLSA-N 376.847 4.623 0 40 GJAB CCn1c(SCC(=O)c2cc(C)c(C)c(C)c2C)nnc1-c1ccncc1 12552128 ZDMHJTVIEPQQAJ-UHFFFAOYSA-N 380.517 4.569 0 40 GJAB CC(C)(C)C(=O)COC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1 12554249 NFHJSZDWFNWZTP-UHFFFAOYSA-N 377.387 4.804 0 40 GJAB Cc1ccc(CN(C)C(=O)CSc2nccn2-c2ccc(C)cc2C)cc1 12600602 CQGLKIXNYMMWBG-UHFFFAOYSA-N 379.529 4.548 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13684740 DOLLJKLFYYOIBL-UHFFFAOYSA-N 388.467 4.658 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccc2ccccc2c1 13695459 HAAPEMCUMPWAJC-UHFFFAOYSA-N 382.419 4.888 0 40 GJAB CCc1nc(SCC(=O)Nc2ccccc2OC)c2c(C)c(C)sc2n1 15935727 FXDKYQWFUFEWJZ-UHFFFAOYSA-N 387.530 4.610 0 40 GJAB CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1CCc1ccccc1)c1ccccn1 19081711 LRGFKSWVIAQCKE-FYYLOGMGSA-N 393.575 4.772 0 40 GJAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(C)C3 20023870 DXXGLYBROFCCPZ-UHFFFAOYSA-N 399.585 4.636 0 40 GJAB Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC[C@@H](C)C3)c2c1 20380806 AXZCIJAQRJLCOW-QGZVFWFLSA-N 380.513 4.612 0 40 GJAB CC(C)CNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20745939 RKTVHEZEGDYBMX-JOCHJYFZSA-N 390.527 4.906 0 40 GJAB Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3c2C(=O)[C@H](C)[C@H]3C)cc1 26896977 XCZUZXPVGMDCHU-HZPDHXFCSA-N 379.481 4.636 0 40 GJAB Cc1ccc2oc(C(=O)N(Cc3ccco3)Cc3sccc3C)cc(=O)c2c1 27990900 DIQRVKDHVWWSDQ-UHFFFAOYSA-N 393.464 4.907 0 40 GJAB COc1ccccc1NC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 40161260 AXTJRSJRUNDASA-HXUWFJFHSA-N 386.455 4.677 0 40 GJAB O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCC(Cc2ccccc2)CC1 40478385 DGNMEBOWRARAJE-UHFFFAOYSA-N 379.891 4.825 0 40 GJAB CSc1ccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)cc1 57427605 HKSWJESRAOVJKD-UHFFFAOYSA-N 379.529 4.913 0 40 GJAB COc1ccc(CCC(=O)Oc2cccc(-c3nc(C)cs3)c2)cc1OC 58246169 CMROMCBAKMZWTE-UHFFFAOYSA-N 383.469 4.674 0 40 GJAB O=C(Nc1nc(-c2ccccc2F)cs1)c1cnn(-c2ccccc2F)c1 58697214 SCSNCSYEGASXGC-UHFFFAOYSA-N 382.395 4.526 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 59227235 PKAJGAZNOGHAGZ-JTQLQIEISA-N 383.662 4.638 0 40 GJAB O=C(N[C@H]1c2ccccc2CC[C@H]1n1ccnc1)c1cc(Cl)cc(Cl)c1 78733236 NWJAJDFGKZPBTE-MOPGFXCFSA-N 386.282 4.849 0 40 GJAB Cc1ccc(N(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)C2CCCCC2)nc1 84191532 LYJIFUNRXZIOCP-JOCHJYFZSA-N 394.515 4.927 0 40 GJAB COC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)nc2C)sc2c1CCC2 89537046 KSFJYUJUMZDOIV-UHFFFAOYSA-N 392.480 4.646 0 40 GJAB CO[C@@H]1CCN(c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 96122321 IEVAODOZTUCORG-QGZVFWFLSA-N 379.382 4.575 0 40 GJAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2/SC(=S)N=C2O)cs1 96662801 GHHAYTOMNTZSAQ-VGOFMYFVSA-N 389.527 4.774 0 40 GJAB O=C(Nc1ccccn1)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 101518659 MYRWYPNLLDNLQA-HZPDHXFCSA-N 391.393 4.641 0 40 GJAB COc1ccc(COCc2cccc(NC(=O)/C=C/c3cncc(F)c3)c2)cc1 104330482 BKBKIHSCFPOUCE-JXMROGBWSA-N 392.430 4.598 0 40 GJAB Cc1nc(-n2cccc2)sc1C(=O)N1CCS[C@H](c2cccs2)CC1 219460174 ARFCJFRFHQDXSC-HNNXBMFYSA-N 389.571 4.624 0 40 GJAB COc1ccc(-c2cc(C)nc(S[C@H]3C(=O)[C@H]4CC[C@@]3(C)C4(C)C)n2)cc1 221828301 TYYQZGMUYLJLMG-GTCCEBARSA-N 382.529 4.947 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1Cl 222853955 MEVHYUZDOGCTEM-GFCCVEGCSA-N 396.270 4.885 0 40 GJAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccccc2C)cc1C(C)C 223322258 GKMLOTKBPVQSGU-QGZVFWFLSA-N 375.534 4.616 0 40 GJAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223393267 JFZLPHRNDBCHHG-NHCUHLMSSA-N 376.529 4.637 0 40 GJAB CCCc1ccc(OCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 223431211 YVOSKEBIHPRPBJ-PTGBLXJZSA-N 375.468 4.968 0 40 GJAB CC[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(OC)cc1 224389720 YJWLCINHXCDWLF-LJQANCHMSA-N 391.533 4.565 0 40 GJAB Cn1c(=O)sc2cc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)ccc21 225022927 PANNQGNGNOOOBM-XMHGGMMESA-N 386.476 4.779 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1C 225073529 PZNYIGPDEKATBE-UHFFFAOYSA-N 396.668 4.840 0 40 GJAB Cc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)nc1 225343155 CEOAVQZUSUYGKT-UHFFFAOYSA-N 386.373 4.917 0 40 GJAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c1 225538207 BHQBWELVNJRXTM-QGZVFWFLSA-N 381.545 4.786 0 40 GJAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2ccsc2)cc1 225618501 GNVCQYKOWVDORS-LJQANCHMSA-N 391.414 4.595 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1 225810389 QRFMEMDVSDHYOW-UHFFFAOYSA-N 377.406 4.566 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225842313 FALUJMREOUFKFA-OAQYLSRUSA-N 379.497 4.574 0 40 GJAB CCc1cc(Br)cc(C)c1NC(=O)Cc1ccc(OC)c(OC)c1 226092237 UCCFYYLFBHBNRP-UHFFFAOYSA-N 392.293 4.518 0 40 GJAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260812360 ASDCRBYWEXGYHB-XXBNENTESA-N 390.568 4.864 0 40 GJAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)c2ccccc2)cc1 408676264 MTEYOIIYZBNBED-GOSISDBHSA-N 382.463 4.975 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(Oc2ccsc2)CC1 575621032 XGKBPCODZTYUCI-UHFFFAOYSA-N 379.909 4.629 0 40 GJAB O=C(Nc1cccnc1Oc1ccccc1)N1CCC[C@H](Oc2ccccc2)C1 603566724 MBYZBBLPMSPCEV-FQEVSTJZSA-N 389.455 4.949 0 40 GJAB CC(=O)Nc1ccc(N2CCC(C)CC2)c(NC(=O)c2ccc(Cl)cc2)c1 675031162 MLPKOHYTKGDUKH-UHFFFAOYSA-N 385.895 4.787 0 40 GJAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Cl)cc1 623800 XRFFZNCIAUBDFJ-UHFFFAOYSA-N 383.238 4.980 0 40 GJAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2C)n1C 648221 XZSCCMXVNZQEAJ-UHFFFAOYSA-N 394.544 4.646 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 795414 PFOIRNAWURPZNR-UHFFFAOYSA-N 381.457 4.514 0 40 GJAB O=C(Nc1ccc(Cl)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 841756 QLHDDIQMTBMGOX-QGOAFFKASA-N 382.872 4.811 0 40 GJAB CCCc1cc2c(=O)c(-c3cc4ccccc4o3)coc2cc1OCC(=O)O 941917 NULDYROKPPXNJI-UHFFFAOYSA-N 378.380 4.622 0 40 GJAB biogenic O=C1c2ccccc2[C@H]2N1CCCN2C(=O)c1sc2ccccc2c1Cl 1048067 KRRNJWNNXQJXKX-SFHVURJKSA-N 382.872 4.555 0 40 GJAB O=C(Nc1ccccc1I)c1ccc(Cl)cc1Cl 1500191 LLEIXLWJRBEBND-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB COc1ccc([C@H](CCN(Cc2ccc(OC)c(OC)c2)C(C)=O)C(C)C)cc1 1762296 ZBDKQYVXGDKTGI-JOCHJYFZSA-N 399.531 4.891 0 40 GJAB CCCn1nc(NC(=O)c2ccc(OCC)cc2)c2cc3cc(C)ccc3nc21 2383997 DPBNXGSWENAOMF-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB O=C(COc1ncnc2sccc12)Nc1ccc(Oc2ccccc2)cc1 2620057 DVBMSZVSXZXYNJ-UHFFFAOYSA-N 377.425 4.501 0 40 GJAB c1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc4c(cc32)OCO4)cc1 2689420 UNHUDDKGVIEPRP-UHFFFAOYSA-N 379.419 4.980 0 40 GJAB O=C(CSCC(=O)Nc1ccccc1Oc1ccccc1)Nc1ccccc1 3193880 JYTOTOKBBCDSKS-UHFFFAOYSA-N 392.480 4.789 0 40 GJAB CC(=O)Nc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 3438080 OQCJZTSNBUMNIM-NWDGAFQWSA-N 395.286 4.597 0 40 GJAB COc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)c2ccccc2)c1 3507061 BDAOGHYGAGATRU-FQEVSTJZSA-N 395.842 4.885 0 40 GJAB COCCn1c(SCc2cccc(C)c2)nnc1-c1c[nH]c2ccccc12 4138681 BNBXLEIPJMCGSF-UHFFFAOYSA-N 378.501 4.674 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 4660025 XVVSKLUELNVPNP-HNNXBMFYSA-N 394.858 4.998 0 40 GJAB CCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@H]1c1ccc(Cl)cc1 4816547 ZRZDPLORGRRJMZ-OALUTQOASA-N 380.879 4.717 0 40 GJAB O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 4967117 QVQAIFRSXGRSDK-UHFFFAOYSA-N 398.919 4.818 0 40 GJAB CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)[C@H]1CC[C@H](C)[C@H](C)[C@@H]1C 5047948 DSDOVAAVIZFCDR-PEQWJCPASA-N 381.601 4.501 0 40 GJAB COc1cc(C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/[C@@H](O)[C@@H]2C(C)C)ccc1O 5638787 OLJDCWYDXLXFJK-QJJHTSDZSA-N 388.504 4.636 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2ccccc2o1 6169092 MXYMFVVDRQISNI-UHFFFAOYSA-N 396.447 4.581 0 40 GJAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc2ccccc12 6886065 FANGMPMKDSSWOI-UHFFFAOYSA-N 392.414 4.893 0 40 GJAB O=c1c(Cl)c(NCCNc2cccc3ccccc23)cnn1-c1ccccc1 7039837 DCKFGGTVQMANIF-UHFFFAOYSA-N 390.874 4.563 0 40 GJAB COc1ccc(CN(Cc2cccs2)C(=O)Cc2cccs2)cc1OC 7777826 DMVGFZVVMGWIOI-UHFFFAOYSA-N 387.526 4.598 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C)c3C)c2)cc1 8207634 MTBPUTPKXFAYGD-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB C[C@H](OC(=O)CSc1ccc2ccccc2c1)C(=O)N(C)C1CCCCC1 8231087 AAPNHKWVEOLNLM-INIZCTEOSA-N 385.529 4.655 0 40 GJAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc3oc(C)nc3c2)no1 8369404 HCPVLYPFVGABAR-UHFFFAOYSA-N 379.441 4.977 0 40 GJAB O=C(NCc1ccccc1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 8476798 OWNHULNAKNQKMX-UHFFFAOYSA-N 388.858 4.518 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1 8493703 CNJSBNAOSUEZCD-CQSZACIVSA-N 381.900 4.604 0 40 GJAB Cc1ccc(C(=O)Nc2cccc([C@H]3Nc4ccccc4C(=O)N3C3CC3)c2)cc1 8704821 OHTFLBYOYKJMAJ-QHCPKHFHSA-N 397.478 4.976 0 40 GJAB COc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccc(OC)cc3)C2)cc1 9303427 WKUMZSXDAZKWGK-HXUWFJFHSA-N 379.485 4.824 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC(c2c[nH]c3ccccc23)CC1 10225124 OQDWBESHSVJQDQ-SFHVURJKSA-N 375.516 4.991 0 40 GJAB O=C(c1ccc(F)c(F)c1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254599 IMGWQIQCVUQDMC-UHFFFAOYSA-N 378.806 4.871 0 40 GJAB Cc1ccc(-c2csc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2)cc1 12461998 VIIVNKXRAQJYLF-UHFFFAOYSA-N 376.485 4.660 0 40 GJAB CSc1nc(C)c(CCC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)c(C)n1 12754899 KIOUILCBEXZFBB-IBGZPJMESA-N 391.968 4.915 0 40 GJAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)NCCc1cccs1 12779249 JKNMGPCJLQRJEA-UHFFFAOYSA-N 394.521 4.763 0 40 GJAB Cc1ccc(C(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)cc1C 12798792 VYEXIYYSFPIKCU-UHFFFAOYSA-N 380.469 4.640 0 40 GJAB COc1ccc(CCC2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 12867400 VLXUEJUWHCXHER-UHFFFAOYSA-N 380.532 4.595 0 40 GJAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1csc(-c2ccc(C)cc2)n1 12930837 ILRVVRGFWLHEHW-UHFFFAOYSA-N 396.512 4.798 0 40 GJAB O=C(CSc1nnc(NC2CCCCC2)s1)N1CCC[C@H]2CCCC[C@@H]21 12971978 JJVOZFMAJQQQMG-ZBFHGGJFSA-N 394.610 4.556 0 40 GJAB COc1ccc(C)cc1NC(=O)c1cccnc1SCc1c(C)noc1C 13006445 UIDZDCUULGZCIG-UHFFFAOYSA-N 383.473 4.548 0 40 GJAB O=C(O)c1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 13167851 QEFDVMLAGONZJU-UHFFFAOYSA-N 381.815 4.870 0 40 GJAB COc1ccc(-c2nnc(Nc3ccc(Nc4ccccc4)cc3)nc2O)cc1 16806911 GFLWUULHIQBIMG-UHFFFAOYSA-N 385.427 4.740 0 40 GJAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(F)cc1F 21595460 KZFOKEXUVBKFHR-DHZHZOJOSA-N 384.407 4.751 0 40 GJAB CCOC(=O)c1c(NC(=O)c2oc3ccccc3c2COC)sc(C)c1C 23660455 MXSQLTOMSPMVNK-UHFFFAOYSA-N 387.457 4.687 0 40 GJAB Cn1cccc1[C@H]1CCCCCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 25711590 NBRKEUABALNHEH-GFOMBABLSA-N 386.879 4.564 0 40 GJAB CCCOc1cccc(C(=O)N(Cc2ccc(OC)cc2)c2ccccn2)c1 27794509 BXQOWNIFMYTSAR-UHFFFAOYSA-N 376.456 4.726 0 40 GJAB COc1cccc(CO[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c1 31697032 FJFNOWLXEIVDJJ-OLZOCXBDSA-N 382.287 4.785 0 40 GJAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 36384958 RQZAXGRLVPAYTJ-BFRWAMQBSA-N 384.516 4.575 0 40 GJAB COc1cc(CN[C@H](C)C(C)(C)C)ccc1OCC(=O)Nc1cccc(C)c1 36612739 OAPHGFYDDKEAOS-QGZVFWFLSA-N 384.520 4.545 0 40 GJAB CC1=C(c2ccccc2)c2ccccc2N(C(C)(C)C(=O)O)N1C(=O)C(C)C 38337667 UVAYAQLNNQRBGF-UHFFFAOYSA-N 378.472 4.549 0 40 GJAB O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(-n2cc[nH]c2=S)c1 40087159 CVIXHGCKVSIYGS-UHFFFAOYSA-N 394.283 4.859 0 40 GJAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1csc(Br)c1 40110606 ZTULEQLCSCTFFM-UHFFFAOYSA-N 389.274 4.628 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 44937382 SFFWFGGZNXXPSZ-HSZRJFAPSA-N 391.515 4.766 0 40 GJAB COc1ccc([C@H](NC(=O)c2ccc3nc(C)c(C)nc3c2)c2ccccc2)cc1 48286375 MYGLFFFGCDJAPA-XMMPIXPASA-N 397.478 4.775 0 40 GJAB COc1ccc2[nH]c(C(=O)N(Cc3ccc([C@H]4C[C@H]4C)o3)C3CC3)cc2c1OC 48314673 XWGVUKAKTQMNHT-CJNGLKHVSA-N 394.471 4.706 0 40 GJAB O=S(=O)(/N=C(\O)Cc1ccc(Cl)cc1)c1c(Cl)cccc1Cl 48593122 FAJZDXUSIVHBCM-UHFFFAOYSA-N 378.664 4.535 0 40 GJAB Cc1ccc(Cn2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2=O)cc1 49007411 XIVWIUPVKLNMOA-UHFFFAOYSA-N 377.831 4.575 0 40 GJAB Cc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccccc3)CC2)c1C 54072981 LAIRGCIHFMWSSL-UHFFFAOYSA-N 395.528 4.532 0 40 GJAB COc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nccs3)c2)c(OC)c1 56777831 XDUZYMKCDBZFMM-ZDUSSCGKSA-N 383.473 4.710 0 40 GJAB CN(Cc1ccc(Cl)cc1Cl)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 57504069 BIHPBTVITIJYJB-SFHVURJKSA-N 381.278 4.584 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccncc2)C12CCCCC2 79464257 XJZMFYHIRLPWPM-LAUBAEHRSA-N 391.515 4.761 0 40 GJAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nccs2)C12CCCCC2 79489750 BVEBBZSAMMMHRR-GOSISDBHSA-N 397.544 4.824 0 40 GJAB Cc1cc(NC(=O)c2ccc(N3CCCCCC3)nc2)ccc1N1CCCC1 84090361 IVROEPRCDORRDM-UHFFFAOYSA-N 378.520 4.623 0 40 GJAB CCN(CCC1CCN(C(=O)Nc2ccccc2N(C)CC)CC1)CC1CC1 95458236 GWDYWYULYXIOKD-UHFFFAOYSA-N 386.584 4.509 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(-c2cc3ccccc3o2)cc1 100221603 ZPRFWGVOJIMMSJ-LXNNMKQJSA-N 381.431 4.657 0 40 GJAB CC1=C(C(=S)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)NC(=O)N1 100857997 GNJBKMBFWQVZND-INIZCTEOSA-N 391.418 4.773 0 40 GJAB Cc1cccc(CNC(=O)COc2ccc(C(C)C)cc2Br)c1 218875864 OUDJSZYKGMNCHR-UHFFFAOYSA-N 376.294 4.576 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C)c1 222866204 SUOVGZBUBPUHCU-RTWAWAEBSA-N 376.529 4.563 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)ccc1Cl 222896976 TWJBSHCRMPTSDG-IBGZPJMESA-N 389.879 4.875 0 40 GJAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2C)c1 223934422 LADGVGAEWNGLHA-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(C)c(OCCNC(=O)c2cccc(OCc3ccccc3)c2)c1 224016710 XBPFPDCKHRATRZ-UHFFFAOYSA-N 375.468 4.691 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H](C)SCc3ccccc3)ccc21 225132012 YRVYNIZHRLEAIK-CQSZACIVSA-N 386.542 4.904 0 40 GJAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(OC)c1 225673131 KAESLIXWHMGZAA-QGZVFWFLSA-N 386.517 4.601 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225842412 WJVRPLBZVKTMCT-OPAMFIHVSA-N 393.524 4.965 0 40 GJAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 243123457 JIXVEZNTBMMLOG-UHFFFAOYSA-N 391.298 4.793 0 40 GJAB Cc1cc(C)nc(N2CCC[C@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)n1 257297313 RGSTYASQMDEGCB-SFHVURJKSA-N 394.469 4.741 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1Cc1ccco1 260752855 AEKLGYZTCBXENB-IPHXSNPTSA-N 392.528 4.731 0 40 GJAB CSCC[C@H](NC(=O)[C@H](CC(C)C)n1cccc1)c1nc2ccccc2n1C 575444530 UTGLJINURSAZPQ-ICSRJNTNSA-N 398.576 4.573 0 40 GJAB COc1ccc(Oc2ccc(C(=O)N3CCC[C@@H]3c3ccc(O)cc3)nc2)cc1 1545502908 FUJBSUZGBXAWNG-JOCHJYFZSA-N 390.439 4.565 0 40 GJAB Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)ccc1Br 678938 DPBOAKJYVURRAU-UHFFFAOYSA-N 383.698 4.538 0 40 GJAB Cc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)O1 721353 IMQWKOFNZRCMJT-UHFFFAOYSA-N 376.256 4.633 0 40 GJAB CCOC(=O)C1=C(NC(=O)c2ccccc2)c2ccccc2CC12CCCC2 866553 NOZAUCUBXIYKIL-UHFFFAOYSA-N 375.468 4.507 0 40 GJAB Fc1cccc(-c2nnc3sc(Cc4ccc(Cl)cc4Cl)nn23)c1 1018188 TYVZUWJRYUKDIL-UHFFFAOYSA-N 379.247 4.890 0 40 GJAB CCN(CC)CCC[C@@H](C)Nc1ncnc2c1[C@H](c1ccccc1)C(C)(C)O2 1708594 PUPZSDCVJPVQTJ-XLIONFOSSA-N 382.552 4.702 0 40 GJAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](O)c2ccccc2F)cc1 2207468 MBRFXMGACHREKF-ZBLYBZFDSA-N 391.423 4.836 0 40 GJAB Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1)N1NC=NC1=N2 2262572 YMQXEQVZSOELPN-DHIUTWEWSA-N 396.425 4.630 0 40 GJAB O=S(=O)(Nc1nc2c(F)cc(F)cc2s1)c1ccc2ccccc2c1 2649469 PHOFAYXHLMFBTJ-UHFFFAOYSA-N 376.409 4.529 0 40 GJAB COc1cc(/C=C/C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)ccc1O 3227942 NTJQFXWGOAWXPA-RIYZIHGNSA-N 388.419 4.507 0 40 GJAB Cc1nnc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)s1 3332672 TVJHAEFSNKPDRC-SFYZADRCSA-N 376.334 4.511 0 40 GJAB CCCn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033466 UZHYHUFJSFKDJL-AWEZNQCLSA-N 398.304 4.729 0 40 GJAB Cc1ccccc1CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2 4106543 ZIIFMBMZGXLJGF-UHFFFAOYSA-N 384.501 4.621 0 40 GJAB COc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 4384089 PQQXDHVAVGZRDU-UHFFFAOYSA-N 379.460 4.614 0 40 GJAB COc1ccc(-c2cn3cc(-c4cccc(Br)c4)n(C)c3n2)cc1 4678344 AQSIYRBSUYSQKB-UHFFFAOYSA-N 382.261 4.778 0 40 GJAB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(Br)cc1 4688533 DQTQVLVJKPFAJN-UHFFFAOYSA-N 379.685 4.955 0 40 GJAB CCCC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@@H]1c1ccc(C)cc1 4816585 IAXGXIUYDAXKDR-UXHICEINSA-N 378.451 4.593 0 40 GJAB CCCOc1ccc(-c2csc(NC(=O)c3cccc(OC)c3OC)n2)cc1 5169349 XEQVFSICKNTSHQ-UHFFFAOYSA-N 398.484 4.868 0 40 GJAB O=C(CCOc1cccc(Br)c1)N[C@@H]1CCSc2ccccc21 6086238 XAWHFCYCVKFMOA-MRXNPFEDSA-N 392.318 4.571 0 40 GJAB COc1cccc(/C=C/C(=O)Oc2ccc(C3SCCS3)cc2OC)c1 6551458 KDPNGBMASJGYAC-RMKNXTFCSA-N 388.510 4.801 0 40 GJAB CC(C)c1ccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1 6736994 DBSHCZPZZZCVLY-UHFFFAOYSA-N 393.487 4.676 0 40 GJAB C[C@@H](Sc1nnc(C2CC2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 7288617 ZSHSJUHLWMBYKI-CYBMUJFWSA-N 381.457 4.859 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CSc3ccc4c(c3)OCCO4)c2)cs1 7780283 PEGCLCGQDNRSRR-UHFFFAOYSA-N 398.509 4.621 0 40 GJAB O=C(Nc1ccc2ccccc2c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 7973404 RZJRMBJXXBBNJD-JLHYYAGUSA-N 384.479 4.730 0 40 GJAB c1ccc(Cn2c(SCc3ccc4c(c3)OCO4)nnc2-c2ccco2)cc1 8314358 JPURBZJWQVNDHO-UHFFFAOYSA-N 391.452 4.607 0 40 GJAB CCn1c(SCCCOc2cccc(C(=O)O)c2)nnc1-c1ccc(C)cc1 8731814 CJMOUHMZYGQMHX-UHFFFAOYSA-N 397.500 4.533 0 40 GJAB Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1NS(=O)(=O)c1ccccc1 10314580 VKJLGOQDAXQVAQ-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccc2c(c1)CCCN2C(=O)CSc1ccc(Br)cc1 11358325 CVOBFVJPLZLNAD-UHFFFAOYSA-N 392.318 4.529 0 40 GJAB CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 12157620 VJEWBXQKKFUZPD-RHSMWYFYSA-N 398.359 4.539 0 40 GJAB CC[C@@H](C)NC(=O)C1(Cc2ccccc2-c2cc(F)ccc2OC)CCOCC1 12231507 GPOSHAUTHBYJEK-QGZVFWFLSA-N 399.506 4.755 0 40 GJAB COC(=O)c1cc(-c2cccs2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 12397219 SSTOKTNUDFQLHI-UHFFFAOYSA-N 393.443 4.952 0 40 GJAB COC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 12589321 MYWFKULOJQWHRZ-UHFFFAOYSA-N 397.434 4.578 0 40 GJAB O=S(=O)(Nc1cc(Cl)ccc1N1CCCC1)c1ccc2ccccc2c1 13074371 CQNMEXJKABVUSR-UHFFFAOYSA-N 386.904 4.894 0 40 GJAB Cc1ccccc1CSCCNC(=O)[C@H](C)Oc1cccc2ccccc12 13709193 YMZRXVVPSRKBSB-SFHVURJKSA-N 379.525 4.965 0 40 GJAB S=c1n(CN2CCC[C@@H]2c2cccs2)nc(-c2cccnc2)n1C1CC1 14197103 RILXYSRISKURDG-MRXNPFEDSA-N 383.546 4.667 0 40 GJAB COc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)c1 15081514 JUFMDJXWXSJUSD-HNNXBMFYSA-N 379.437 4.596 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 15132759 GNGJITXBCMPIJI-KRWDZBQOSA-N 375.468 4.791 0 40 GJAB Nc1ccc(Cl)cc1-n1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O 16525468 HTERSWRKJCHYRJ-UHFFFAOYSA-N 382.250 4.942 0 40 GJAB CCc1cc(C(F)(F)F)c2c(C3CCN(Cc4cccnc4)CC3)noc2n1 19522100 XLDYYTULFNKLNR-UHFFFAOYSA-N 390.409 4.579 0 40 GJAB Cn1c(CCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)nc2cc(Cl)ccc21 19714222 NXSZLZTWEYZLLA-KRWDZBQOSA-N 397.906 4.578 0 40 GJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1CCc1ccccc1 20484214 UOZGHDFNCGFRIB-UHFFFAOYSA-N 384.479 4.851 0 40 GJAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(CCc1cccc(F)c1)C3 20610313 PXXBRRZKDHUMBR-UHFFFAOYSA-N 381.447 4.669 0 40 GJAB biogenic Cc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(C(C)C)nn3c2C)cc1 20797907 IVHPXMJLSYCTMB-UHFFFAOYSA-N 385.471 4.784 0 40 GJAB COc1cccc(CNC[C@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1 22075176 NBTSOSDJMLMEDT-NRFANRHFSA-N 397.902 4.751 0 40 GJAB Cc1c(C(=O)NCCCO[C@@H](C)c2ccccc2)cnn1-c1ccc(Cl)cc1 23022006 NFVBTAPEIWETNM-KRWDZBQOSA-N 397.906 4.732 0 40 GJAB Cc1cc(Br)ccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 23134223 IOEKJZCHXSREEN-UHFFFAOYSA-N 386.289 4.848 0 40 GJAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(SCc2cccs2)s1 32823807 JQLMXDARQJHWIC-YPMHNXCESA-N 399.632 4.679 0 40 GJAB FC(F)(F)Oc1ccc(Oc2ccc(I)cc2)cc1 34660362 YRGFOYJINYGKDE-UHFFFAOYSA-N 380.103 4.982 0 40 GJAB CC(C)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36365635 LAEXHYQEYMXCEI-QFIPXVFZSA-N 390.527 4.906 0 40 GJAB COC(=O)Nc1ccc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 58159939 IWAFRIWROMDXJK-UHFFFAOYSA-N 383.448 4.508 0 40 GJAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)N1CCC[C@H](C)CC1 58430099 RKZOQUYNUPREMP-AWEZNQCLSA-N 393.453 4.699 0 40 GJAB CCc1ccsc1C(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 59984542 DWXKZXMMYYKUNI-MRXNPFEDSA-N 380.916 4.670 0 40 GJAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cccc(C(F)(F)F)c1 60208659 OJMGJNLHTYHJDL-UHFFFAOYSA-N 395.331 4.789 0 40 GJAB O=c1c2sccc2nc(SCCc2ccccc2)n1Cc1ccc(F)cc1 71327556 JCEIUHLVVPJLTN-UHFFFAOYSA-N 396.512 4.980 0 40 GJAB Cc1cc(NCCCCCCCNc2cc(C)[nH]c(=S)n2)nc(=S)[nH]1 71775408 GNZBRGPWYAANAH-UHFFFAOYSA-N 378.571 4.683 0 40 GJAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2cccc(Br)c2)C1 72405150 LKPBQFUHZALDMO-AWEZNQCLSA-N 388.290 4.879 0 40 GJAB CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1Cl 75104786 JTPDSGPDGZPFFF-KSSFIOAISA-N 377.916 4.522 0 40 GJAB CC(=O)c1ccc(C(=O)N(C)c2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1 95958541 FYWZUZLLSNXKRL-IBGZPJMESA-N 390.508 4.895 0 40 GJAB Cc1ccc(CN2CCC[C@@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)s1 96071972 HGDNDWOMBFEXLP-JOCHJYFZSA-N 386.536 4.743 0 40 GJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)c2C(N)=O)C1 102173096 NEEWECOJLDTDDK-NYTXWWLZSA-N 388.577 4.763 0 40 GJAB CCSC[C@@H]1CCCN1C1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 206792850 HSHWAVRMDTWTJX-FQEVSTJZSA-N 375.582 4.517 0 40 GJAB CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1ccc(F)cc1Cl 216825023 ZQBBNZTZTVDIHW-UHFFFAOYSA-N 398.221 4.742 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)cc1Cl 219609773 BZLQKGMBPVBFRN-KRWDZBQOSA-N 396.270 4.966 0 40 GJAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1 222911765 DOGSUWZBPHFQCG-YADHBBJMSA-N 390.556 4.809 0 40 GJAB Cc1cc(OCC(=O)Nc2nnc(SCC(C)C)s2)cc(C)c1Cl 223152093 GUKQXCOOYCUBFQ-UHFFFAOYSA-N 385.942 4.574 0 40 GJAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(SC)cc2)c2ccccc2O1 223621073 DIBQTTYDHCRPGE-GOSISDBHSA-N 391.558 4.769 0 40 GJAB CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224612952 HKWJCPORCGCDNW-UHFFFAOYSA-N 388.316 4.834 0 40 GJAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COCC(C)C 224734675 DJFWAQKZJBLORL-UHFFFAOYSA-N 375.896 4.841 0 40 GJAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)COC)c(Cl)c2)CCCCCC1 225712237 OEFWZAJJUHXLRM-HNNXBMFYSA-N 383.916 4.822 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cccc(C(F)(F)F)c1 225814017 BQTZBFWVELBDPU-QGZVFWFLSA-N 393.405 4.811 0 40 GJAB CC(C)(C)c1ccc(-c2nc3ccc(S(=O)(=O)O)c4cccc([nH]2)c34)cc1 226249367 SSMAMHJJLVGKLB-UHFFFAOYSA-N 380.469 4.927 0 40 GJAB Cc1ccc2cnn(CCCNC(=O)c3sc(C)nc3-c3ccccc3)c2c1 257173420 MNYLZSHTHUPNSL-UHFFFAOYSA-N 390.512 4.597 0 40 GJAB CC(C)n1nccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257344086 ZVSPATVNKDLKKA-GOSISDBHSA-N 398.894 4.674 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260814747 NBYZTEJFSXBZJX-AUSIDOKSSA-N 390.568 4.864 0 40 GJAB COc1c(F)c(F)c(C(=O)Nc2nc3c(Cl)cccc3s2)c(F)c1F 408621302 LKEZNXBIAJCLHT-UHFFFAOYSA-N 390.745 4.767 0 40 GJAB Cc1ccc(-c2nnc(CN(C)C(=O)C(c3ccccc3)c3ccccc3)o2)cc1 408714703 VPFUZPPDISBERD-UHFFFAOYSA-N 397.478 4.836 0 40 GJAB C[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)[C@@H]1COc2ccccc21 535103365 CJVUOTRLUNZEKQ-YJYMSZOUSA-N 376.431 4.546 0 40 GJAB FC(F)(F)[C@@H]1C[C@@H](Nc2nnc(-c3ccon3)s2)C[C@H](C(F)(F)F)C1 672162010 TUOSPQNSUYZBIJ-JIGDXULJSA-N 386.321 4.515 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)Cc2ccc(F)cc2)N1c1cccc(F)c1 1615159039 SFQMPOUNFWQCLA-SFTDATJTSA-N 384.470 4.556 0 40 GJAB Cc1nc(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)cs1 2055745680 UEHBXMLPLCCYEF-UHFFFAOYSA-N 389.524 4.777 0 40 GJAB Cc1cc(C)c2c(N)c(C(=O)Nc3nc(-c4ccccc4)cs3)sc2n1 888468 YXVYRCDCOPSRLX-UHFFFAOYSA-N 380.498 4.871 0 40 GJAB Cc1cccc(N2C(=O)C(Cl)=C(Nc3cccc(Cl)c3C)C2=O)c1C 941800 RLLLWYSGMCGKLV-UHFFFAOYSA-N 375.255 4.701 0 40 GJAB COc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3NC(C)=O)n2)cc1 1415859 YLNLCCHSQYFACM-UHFFFAOYSA-N 390.468 4.630 0 40 GJAB CCc1cc(=O)oc2c(C)c(OCC(=O)c3c(C)n(C)c4ccccc34)ccc12 2095983 XTUTUOKEOAZGRA-UHFFFAOYSA-N 389.451 4.726 0 40 GJAB biogenic Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1)N1NC=NC1=N2 2262571 YMQXEQVZSOELPN-XZOQPEGZSA-N 396.425 4.630 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2cccnc2Cl)c2ccccc2)c1 3220940 UHLSOVVUWBQVLJ-IBGZPJMESA-N 394.858 4.889 0 40 GJAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(Cl)c1 3293303 XFQCVALARQTLDG-UHFFFAOYSA-N 375.906 4.564 0 40 GJAB CC(=O)Nc1cccc(C(=O)Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 3406449 CKUSCOWFXJIYCD-UHFFFAOYSA-N 391.267 4.902 0 40 GJAB CCc1ccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 4856772 GBWQJXIOSXCDEM-FRIKZZABSA-N 379.573 4.731 0 40 GJAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(OC)cc3)o2)cc1 5170240 VOBHJJYJWWOWGS-CYBMUJFWSA-N 384.457 4.507 0 40 GJAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(C)n2-c2cccc(C)c2)cc1 5360600 FQSUXSWDKFOLTR-OAHLLOKOSA-N 381.501 4.646 0 40 GJAB Cc1cc(C)n(-c2nc(N3CCC(C)CC3)c3c4c(sc3n2)CCCC4)n1 5561799 IZMTWEWDXRKCLC-UHFFFAOYSA-N 381.549 4.609 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(Cl)c2C)c1C 5995624 KUKKKNJWWOBIPL-UHFFFAOYSA-N 396.874 4.863 0 40 GJAB COc1ccc2nc(SCC(=O)Nc3c(Cl)cccc3Cl)[nH]c2c1 6786795 KGDOJTZLVOKZON-UHFFFAOYSA-N 382.272 4.609 0 40 GJAB CCCN1C(=O)S[C@@H](Cc2ccccc2OCc2ccccc2Cl)C1=O 6879242 OBNSLVLMINNNFO-SFHVURJKSA-N 389.904 4.936 0 40 GJAB CCOc1ccc(-c2nc(CSC(=S)N3CCCC3)cs2)cc1OC 6943886 AXEIEYISVCXQAO-UHFFFAOYSA-N 394.587 4.831 0 40 GJAB CNc1nnc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)s1 7102109 OOIUFZLDDRJKMZ-QGZVFWFLSA-N 380.498 4.777 0 40 GJAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)s1 7269589 FXWYPNVYRFNSGZ-UHFFFAOYSA-N 397.481 4.506 0 40 GJAB Oc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)c1 7570796 QXPFBEUXAKNZHZ-TZIWHRDSSA-N 377.831 4.683 0 40 GJAB COc1ccc(COC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1F 7790081 MJGILHGBOWZGKN-UHFFFAOYSA-N 385.439 4.640 0 40 GJAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O 7928210 YLGVUUXDVNJBQA-KRWDZBQOSA-N 384.907 4.765 0 40 GJAB O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8156142 UCFMYOCJQOGLQQ-INIZCTEOSA-N 383.831 4.835 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1Cl 8218234 YEFTVNLCVBWDRD-GFCCVEGCSA-N 396.796 4.659 0 40 GJAB CCOc1c(Br)cc(CNC23CC4CC(CC(C4)C2)C3)cc1OC 8253329 JSVUEURWLOLXQI-UHFFFAOYSA-N 394.353 4.915 0 40 GJAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 8586631 UMSREZGRKXRYBQ-CQSZACIVSA-N 384.476 4.609 0 40 GJAB CC[C@@H](C)Cc1c(C)sc2nc(SCc3nccn3C(F)F)[nH]c(=O)c12 8725172 LVGKEAUYOXLFAZ-SECBINFHSA-N 398.504 4.766 0 40 GJAB Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc(Br)s3)cc2c1C 9883662 YYEZPJPECFXHRH-UHFFFAOYSA-N 377.307 4.881 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)c1 10225042 OFSREDWQHZBMAA-GOSISDBHSA-N 375.516 4.991 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCCC2=O)c(Cl)c1 11140428 ZNEPLCHIBTXFTD-UHFFFAOYSA-N 381.863 4.519 0 40 GJAB Cn1ccc(NC(=O)c2sc3cccc(F)c3c2COc2ccccc2)n1 11169080 GDFMSQUGHLGKQY-UHFFFAOYSA-N 381.432 4.605 0 40 GJAB O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCCN(Cc3cccs3)[C@H]2C1 12188332 XEOJFKOWKDLQLX-QAPCUYQASA-N 394.462 4.504 0 40 GJAB CCOC(=O)Cn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(F)cc1 12413523 NKAONOYRCHWQPE-QOCHGBHMSA-N 390.867 4.805 0 40 GJAB CC(C)c1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12866110 QGPRFJQFNVOAKH-OAQYLSRUSA-N 394.515 4.747 0 40 GJAB CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 13000691 FZOOJTZNOLTXJT-HNNXBMFYSA-N 382.529 4.810 0 40 GJAB COc1cc(NC(=O)CCCc2nc3ccccc3s2)c(OC)cc1Cl 15970715 APTDAULUWWZTBO-UHFFFAOYSA-N 390.892 4.928 0 40 GJAB O=C(NC(=S)Nc1nc2ccccc2s1)c1ccc(Cl)cc1Cl 16545444 BHRGLCVSWIKKSE-UHFFFAOYSA-N 382.297 4.730 0 40 GJAB C[C@@]12CC3CC(Nc4nc(N5CCOCC5)nc5ccccc45)(C1)C[C@](C)(C3)C2 18254947 NEQKRQNJWVQPQG-MDQWUCQQSA-N 392.547 4.627 0 40 GJAB Cc1ccc([C@@H]2CC(=O)c3cn4nc(-c5ccc(Cl)cc5)nc4nc3C2)cc1 20632431 TXACWYNASBCESX-INIZCTEOSA-N 388.858 4.666 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc1 21170516 HBCJKKJEHFEPNA-OAQYLSRUSA-N 386.580 4.620 0 40 GJAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3cccc(F)c3)s2)cc1 24716204 DILRCLDWYHIPGD-YBEGLDIGSA-N 387.867 4.653 0 40 GJAB c1ccc(-c2ccc(Oc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2)cc1 24985448 OCAHZKCGKVDOTF-UHFFFAOYSA-N 387.487 4.531 0 40 GJAB C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4nc5ccc(F)cc5s4)no3)ccc2O1 27992282 IKEWENRILVUDGV-SNVBAGLBSA-N 395.415 4.666 0 40 GJAB Cc1ccc(C(=O)c2oc3ccccc3c2NS(=O)(=O)c2ccccc2)cc1 27995622 KAFWVANNABBNKJ-UHFFFAOYSA-N 391.448 4.773 0 40 GJAB CCn1c(SCc2ccc(F)cc2)nnc(Nc2ccc(C(C)C)cc2)c1=O 28536920 IZWSUEDNOFYEKI-UHFFFAOYSA-N 398.507 4.957 0 40 GJAB COc1ccc2[nH]c(CSCC(=O)Nc3ccc(C(C)C)cc3)cc(=O)c2c1 33064240 HISQKUNHCWOPTD-UHFFFAOYSA-N 396.512 4.532 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=S)Nc2ccc(F)cc2F)cc1OC 40040165 ZMGIZVYKIRUEBF-INIZCTEOSA-N 378.444 4.516 0 40 GJAB CCn1nc(C)c(NC(=O)c2cc3sccc3n2Cc2ccccc2)c1C 40286464 WQXGUANSPRBPDA-UHFFFAOYSA-N 378.501 4.837 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Cl)o1 57586404 PWOXRCKUHIMPHE-UHFFFAOYSA-N 380.231 4.687 0 40 GJAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 72216637 IHIUMXLAPBUYKU-OAQYLSRUSA-N 379.504 4.936 0 40 GJAB CNc1nc(CNc2nc(COC)nc3scc(-c4ccccc4)c23)cs1 72301714 NOQRMWWKPIBRGS-UHFFFAOYSA-N 397.529 4.615 0 40 GJAB CCN(C(=O)Nc1ccc2c(c1)OCCO2)[C@H](Cc1ccc(C)cc1)C1CC1 72303856 BDHLGAIAGBKAMR-HXUWFJFHSA-N 380.488 4.641 0 40 GJAB CCC(=O)N1CC[C@H](c2cc(Cc3ccc(C(F)(F)F)cc3)cc(C)n2)C1 72374745 NXXHTXSJRHZWJS-KRWDZBQOSA-N 376.422 4.726 0 40 GJAB O=C(Nc1cccc(Cn2cccn2)c1)N[C@@H](C1CCCCC1)C(F)(F)F 79059415 NNOVONAHLUXINI-KRWDZBQOSA-N 380.414 4.564 0 40 GJAB Cc1cc(C)n(-c2ccc(NC(=O)N[C@H]3CCSc4ccccc43)cc2F)n1 84105065 OFJSTIABXGNHQK-SFHVURJKSA-N 396.491 4.987 0 40 GJAB O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccccc1OC1CCC1 84500212 WKQOKNYYUFELRV-UHFFFAOYSA-N 384.863 4.650 0 40 GJAB Clc1ccccc1[C@@H]1Cn2cnc(-c3nc(-c4ccccc4)no3)c2CO1 97077477 STBHLDVEJGYGKF-KRWDZBQOSA-N 378.819 4.525 0 40 GJAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104681426 NJHPQNYJQKUIGL-RRPUWOKSSA-N 376.544 4.858 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219596871 XKZFBWSUEOXWHH-VQTJNVASSA-N 383.488 4.580 0 40 GJAB COC(=O)c1cn(C(=O)CSCc2c(F)cccc2Cl)c2ccccc12 222572806 QEDSFRHSPNNTNK-UHFFFAOYSA-N 391.851 4.794 0 40 GJAB CCCSc1nnc(NC(=O)c2ccc(CN3CCCCCC3)cc2)s1 222782307 WOEQKKOPNWSXKL-UHFFFAOYSA-N 390.578 4.669 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 223953720 IUTHWEGCGAWECR-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COC(=O)c1cc2cc(NC(=S)NCc3ccccc3Cl)ccc2s1 225212471 BXYRCKFOTFAJHP-UHFFFAOYSA-N 390.917 4.828 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(Br)c2)cc1C 225789227 QRKWRBZWVGVNTR-AWEZNQCLSA-N 393.350 4.820 0 40 GJAB Cc1ccc2c(c1)OC1(CCN(C(=O)Nc3ccc(Cl)cc3)CC1)CC2=O 225816691 VEOZLOQZCMGUKE-UHFFFAOYSA-N 384.863 4.680 0 40 GJAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OCC)c2)CCCC1 225849782 GDTFVUUKVSGKIF-INIZCTEOSA-N 391.508 4.719 0 40 GJAB Cc1cc([C@@H]2CCCCN2Cc2nccn2C(C)C)nc(-c2c(C)noc2C)n1 257326486 WXJOYZJDWDMIPG-IBGZPJMESA-N 394.523 4.561 0 40 GJAB CC1=NN(C(=O)COc2ccc(C3CCCCC3)cc2)[C@](O)(c2ccccc2)C1 408562794 CJSIHWFAICVUDU-XMMPIXPASA-N 392.499 4.567 0 40 GJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2ccccc2F)cc1 408628322 WUAMIOKQZYPVLL-UHFFFAOYSA-N 385.460 4.538 0 40 GJAB CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C)cc1 932907 NMOFNBDNRFRTMU-UHFFFAOYSA-N 379.485 4.541 0 40 GJAB CC1(C)c2ccccc2N(CCC(N)=O)[C@@]12C=Cc1c(ccc3ccccc13)O2 1044426 ZIWLSXUIITVCGZ-RUZDIDTESA-N 384.479 4.615 0 40 GJAB Cc1c(CC(=O)O)c(=O)oc2cc(OCc3ccc(C(C)(C)C)cc3)ccc12 2212374 SQKGBBVCDXMSNW-UHFFFAOYSA-N 380.440 4.605 0 40 GJAB CCOc1ccc(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)cc1 2806490 AZXMCSMBNANBRT-UHFFFAOYSA-N 396.450 4.922 0 40 GJAB Cc1cc(C)c(C(=O)COC(=O)/C=C/c2ccc(Br)cc2)cc1C 3417099 RSCDXFCBXMSOKD-RMKNXTFCSA-N 387.273 4.814 0 40 GJAB COc1cccc(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 3447001 RPFRMOVVDNPVAW-UHFFFAOYSA-N 375.346 4.904 0 40 GJAB CC(C)(C)NC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 4591001 XVSKEROUVUXIKL-UHFFFAOYSA-N 390.936 4.740 0 40 GJAB COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1 4659979 HSQYRWPWKXFKFC-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB Cc1cccc(C)c1-n1nnnc1C1(N(N=O)c2ccccc2Cl)CCCC1 4772541 KLQFOOVXFIHPKR-UHFFFAOYSA-N 396.882 4.890 0 40 GJAB COc1ccccc1CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1cccc(Cl)c1)C2 4888143 UMDZBEWZACIENJ-SEJPIABJSA-N 398.934 4.664 0 40 GJAB C[C@@H]1CCCCN1C(=O)CSc1ncnc2sc(-c3ccccc3)cc12 5212833 JYSAFFRRWBMAHN-CQSZACIVSA-N 383.542 4.851 0 40 GJAB O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)NCC1CCCCC1 5753706 BJARGZLMDGYDOC-QFIPXVFZSA-N 397.540 4.760 0 40 GJAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(-c2ccccc2)cc1 6083000 JYRFMXRFHSDNSC-UHFFFAOYSA-N 398.384 4.741 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCCC3)c1 6501670 IZTXWUHJWFQQAN-UHFFFAOYSA-N 395.450 4.722 0 40 GJAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3ccc(F)cc3)c12 6945325 QPASBYWSNDAAKD-UHFFFAOYSA-N 392.352 4.727 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CN(c1ccccc1)c1n[nH]c(=S)s1 7277569 ZDMJPNNITQLLHP-UHFFFAOYSA-N 390.921 4.939 0 40 GJAB Cc1cc(F)ccc1NC(=O)c1ccccc1OCc1cn2ccccc2n1 7319029 HAPYWIPUOQSYFQ-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(OCCC(C)C)cc3)CC2=O)cc1 8085760 SZRAARMUQGHPDE-LJQANCHMSA-N 394.515 4.666 0 40 GJAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CC[C@H]2CCCC[C@@H]2C1 8095277 UUMIHGXKSHQLCC-UYAOXDASSA-N 386.499 4.587 0 40 GJAB CCCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2CC)cc1 8134571 FTGAGEGLECNFDN-UHFFFAOYSA-N 381.501 4.770 0 40 GJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1ccc[nH]1 8428488 NHVYXSYSXBNWLU-UHFFFAOYSA-N 384.480 4.893 0 40 GJAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccccc1NCc1ccco1 11329435 SCYGBOVWJOXPEI-UHFFFAOYSA-N 381.819 4.550 0 40 GJAB COc1ccc([C@H]2CCCN2Cn2ncn(-c3ccccc3C)c2=S)cc1 12597731 DDRFRJFSFCJEMP-HXUWFJFHSA-N 380.517 4.515 0 40 GJAB CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1c[nH]c2ccccc12 12651017 KYMMYXGQKBCPRR-QFIPXVFZSA-N 377.488 4.573 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)NC34CC5CC(CC(C5)C3)C4)n2)cc1 12855909 KEIZVIMURKKPFP-UHFFFAOYSA-N 393.531 4.878 0 40 GJAB O[C@H](c1ccccc1)c1nc2ccccc2n1CCOc1ccccc1Cl 13540885 JKKJTVYRJUBIKW-OAQYLSRUSA-N 378.859 4.850 0 40 GJAB CCc1cccc(C)c1NC(=O)CN[C@H](c1ccccc1)c1ccc(OC)cc1 14085790 LDAOXKVMFNTBQB-RUZDIDTESA-N 388.511 4.884 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 14398268 PFNHHAYBRAZFBX-OAHLLOKOSA-N 388.895 4.666 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 14495754 PGQXNTUZWXGWKE-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB Cc1cccc(N2C(=O)/C(=C\Nc3ccc(Cl)cn3)c3ccccc3C2=O)c1 16745578 DVVFOQNTSBRRNH-UYRXBGFRSA-N 389.842 4.683 0 40 GJAB O=C(NC/C(Br)=C\Br)Nc1cccc2ccccc12 17002922 FQKRWHAWNPZLEJ-DHZHZOJOSA-N 384.071 4.593 0 40 GJAB Cc1nc2sc([C@H](c3cccc(Cl)c3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 17144216 MUZJPFBLOFZGSM-OZVIIMIRSA-N 390.940 4.526 0 40 GJAB O=C(Nc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)cc1)c1ccccc1 19542460 VVVMHRMGSNGTFL-SFHVURJKSA-N 379.485 4.653 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C 20451562 RWTYPADISYPBPY-KRWDZBQOSA-N 377.893 4.944 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C 20457748 AZFRXBKOWLYDFB-HXUWFJFHSA-N 382.504 4.629 0 40 GJAB CCCCCOc1ccc(S(=O)(=O)Nc2cccc(C)n2)c2ccccc12 28251811 WRAANEHMZJEVFR-UHFFFAOYSA-N 384.501 4.913 0 40 GJAB CC(=O)c1cnc2sc(C(=O)Nc3ccccc3Br)c(C)c2c1 32814657 HPHFZTYJSTVQKL-UHFFFAOYSA-N 389.274 4.822 0 40 GJAB O=C1c2ccccc2C(=O)N1CCSCc1coc(-c2ccc(Cl)cc2)n1 32909387 OYOCWPHRKUVPNW-UHFFFAOYSA-N 398.871 4.524 0 40 GJAB Cc1cc(C)cc(NC(=O)CSCc2cc(=O)c3c(C)cc(C)cc3[nH]2)c1 33063732 OELOOAFVVGDOAT-UHFFFAOYSA-N 380.513 4.634 0 40 GJAB Cc1nn(C)c(C)c1NC(=O)c1cc2occc2n1Cc1ccccc1Cl 36360382 AUOKNYVMCINSTC-UHFFFAOYSA-N 382.851 4.539 0 40 GJAB NC(=O)c1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1Cl 40060376 LJSZLADKLONRQN-UHFFFAOYSA-N 378.859 4.600 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(Cc1ccc(F)cc1)C1CC1 40131577 CILQQZHWHWQGDW-UHFFFAOYSA-N 395.453 4.501 0 40 GJAB O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44921666 BIZURPWINFCHQI-NRFANRHFSA-N 380.532 4.540 0 40 GJAB O=C(NCc1cccc2ccccc12)N1CCC[C@H](COCc2ccccc2)C1 56923431 KNQPQJIRKAXMOP-NRFANRHFSA-N 388.511 4.978 0 40 GJAB C[C@@H](OC[C@@H](O)CSc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 58012320 YOSMAHDWDUYHQQ-BXUZGUMPSA-N 396.921 4.682 0 40 GJAB Cc1cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c2ccc(F)cc2n1 65474923 KLVCRUJHHBXMHK-UHFFFAOYSA-N 389.430 4.618 0 40 GJAB COc1ccc(CN2CCC[C@@H](c3cccc(-c4ccc(CO)cc4)n3)C2)cc1 72348594 JVRWDWCFDVPKIR-JOCHJYFZSA-N 388.511 4.629 0 40 GJAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1cn2c(C)cccc2n1 84810944 IQZRGVQAFRKPNE-HNNXBMFYSA-N 377.488 4.974 0 40 GJAB O=C(Nc1ccccc1)N1CCC2(CC1)CCn1c(-c3cccc(F)c3)cnc12 96080118 VRXVZZIDQOGMTR-UHFFFAOYSA-N 390.462 4.659 0 40 GJAB Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)s1)N1CCCCC1 199405131 ZOWSXVWABNEBDV-GOSISDBHSA-N 387.940 4.569 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219322675 RGMBUCSAWDWHFH-QGZVFWFLSA-N 399.878 4.514 0 40 GJAB COc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1C 225096109 QXDNOZQHEOJOSJ-UHFFFAOYSA-N 384.328 4.974 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(Br)cc3)ccc21 225129964 LBNSYNNEAAIALG-UHFFFAOYSA-N 391.290 4.659 0 40 GJAB COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccccc1Cl 226288047 HVYOLPMKIZIWQH-UHFFFAOYSA-N 392.842 4.761 0 40 GJAB COc1ccc(C(=O)Nc2cc(N3[C@@H](C)CCC[C@@H]3C)c(C)cc2N)cc1OC 226331422 BZUARQQNBUEWMX-HOTGVXAUSA-N 397.519 4.614 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)n1 257284330 PCGFNVZLOFVWBS-KRWDZBQOSA-N 395.890 4.642 0 40 GJAB CC(C)C(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccncc2)CC1 257304336 SLCNERHQMKUOIW-UAPYVXQJSA-N 380.536 4.708 0 40 GJAB O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 408613645 ZFPZBIHMXUNCIZ-RUZDIDTESA-N 382.507 4.626 0 40 GJAB CC(C)(C)c1ccc(C(=O)Nc2ccc(I)cc2F)cc1 408622007 PAPDQJCTUFNEQR-UHFFFAOYSA-N 397.231 4.980 0 40 GJAB CC(C)CC(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 408627181 LAWCUEUPRQCZCA-UHFFFAOYSA-N 386.908 4.742 0 40 GJAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1C 409075963 ZLWOKBFQVIKVJV-DEDYPNTBSA-N 391.858 4.845 0 40 GJAB C[C@H](O)C[C@H]1CCCCN1C(=O)c1ccc(-c2nc3ccccc3s2)s1 548397496 IEWDTVKZWGIGCB-UONOGXRCSA-N 386.542 4.790 0 40 GJAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)cc1 1260425341 BJWMKEAIXDTTQN-UHFFFAOYSA-N 378.664 4.650 0 40 GJAB CC1(C)CC(=O)c2cnc(SCc3cscc3Br)nc2C1 1559437382 SUPZGEGUGCUEKX-UHFFFAOYSA-N 383.336 4.748 0 40 GJAB O=C(O[C@@H](c1ccc2c(c1)OCO2)c1nccc2ccccc12)c1ccccc1 712517 RPLKMVYEFYBCHZ-QHCPKHFHSA-N 383.403 4.910 0 40 GJAB S=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccco1 1377747 AFLJGFNCKSEUNX-HZPDHXFCSA-N 389.952 4.805 0 40 GJAB Cc1sc2ncn3c(SCC(=O)c4ccc(Cl)cc4)nnc3c2c1C 1379178 FLKAKSVLEGYFNP-UHFFFAOYSA-N 388.905 4.584 0 40 GJAB CC(C)Cc1nc2sc3c(NCCCN(C)C)ncnc3c2c2c1CCCC2 1902223 NZSHXSACHFFQDX-UHFFFAOYSA-N 397.592 4.680 0 40 GJAB COc1ccc(CN(CC[C@H](C(C)C)[C@H]2CCOC(C)(C)C2)C(C)=O)cc1 2100269 SIEFQYYABPFRTB-RBBKRZOGSA-N 375.553 4.911 0 40 GJAB biogenic Cc1ccc(-n2c(=O)c3c4c(sc3n3cnnc23)C[C@@H](C(C)(C)C)CC4)cc1 2288220 MHESBTSARFOFCO-AWEZNQCLSA-N 392.528 4.554 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)CN4CCC(C)CC4)cc3)sc2c1 2396225 NEOVPEUGWGKLTF-UHFFFAOYSA-N 379.529 4.942 0 40 GJAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)[C@H]1CCCC[C@H]1C(=O)O 2764761 VDJHONBBLJSAHT-DLBZAZTESA-N 380.469 4.793 0 40 GJAB S=C(NCCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 4088094 LMRZDODNVOVKNS-OAQYLSRUSA-N 395.959 4.664 0 40 GJAB CSc1ccc(CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)cc1 4307091 GJSFHASUYFLAED-JOCHJYFZSA-N 376.481 4.529 0 40 GJAB O=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 4854379 ZQNNMLNIONYFNC-LJQANCHMSA-N 396.288 4.888 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 4920704 KFAPICJTIFBFTA-UHFFFAOYSA-N 375.350 4.635 0 40 GJAB CC(=O)N(C)Cc1nc2ccccc2n1CCCCOc1ccccc1Cl 4943210 CFVOTRSXMCQBHE-UHFFFAOYSA-N 385.895 4.527 0 40 GJAB CCc1nc(N2CCN(c3ccccc3Cl)CC2)c2oc3ccccc3c2n1 5164982 VVZSCZOMLJASQU-UHFFFAOYSA-N 392.890 4.918 0 40 GJAB Cc1c(C(=O)Nc2nonc2-c2ccccc2)oc2cc(Br)ccc12 5484108 VCUVOXLGXNLMKB-UHFFFAOYSA-N 398.216 4.806 0 40 GJAB COc1cccc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 5780840 VYGRXSPSAWKQTK-UHFFFAOYSA-N 393.283 4.750 0 40 GJAB CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1cccc(Cl)c1 5783324 QEPZSJRMSHIRBH-UHFFFAOYSA-N 381.819 4.819 0 40 GJAB Cc1ccc(CNC(=O)c2nc(SCc3cccc(C)c3)ncc2Cl)cc1 6748167 BYJATCWCBUEHMH-UHFFFAOYSA-N 397.931 4.969 0 40 GJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cc(Cl)ccc1Cl 6885619 LRPQKWHWAAUTTJ-UHFFFAOYSA-N 379.272 4.509 0 40 GJAB CCN(C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)C1=CCCCC1 7427842 SUHZTTLFNPLQPI-UHFFFAOYSA-N 396.560 4.602 0 40 GJAB CCOc1cccc(CNCc2ccc(C(=O)O)cc2)c1OCc1ccccc1 7539437 KRERCZJIWUVHCV-UHFFFAOYSA-N 391.467 4.652 0 40 GJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 8273600 WFJFZVGNQKWRPZ-UHFFFAOYSA-N 398.304 4.643 0 40 GJAB CCc1cccc(OCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c1 8328559 GBANUBIVXHJKCT-UHFFFAOYSA-N 380.469 4.593 0 40 GJAB C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1cn2ccccc2n1 8707090 XCIMFVMKBGGLTC-QGZVFWFLSA-N 375.497 4.669 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(Cc2ccccc2Cl)c1 8924900 WLMNIONYRJJKAX-UHFFFAOYSA-N 393.796 4.534 0 40 GJAB CCCN(CCC)C(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 9784914 KBFKEUGFVDNAFS-UHFFFAOYSA-N 394.928 4.632 0 40 GJAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 11443397 BAOIDISEUPKBHB-OAHLLOKOSA-N 393.512 4.509 0 40 GJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cccc(Cl)c1 12700444 HLTOAUZHUUFJEX-ZDUSSCGKSA-N 398.919 4.917 0 40 GJAB C[C@@H](Sc1nncc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 12849398 UBGTVDZKXYGOBZ-LLVKDONJSA-N 377.391 4.768 0 40 GJAB COc1ccc([C@@H]2CCCCCN2Cc2nc(-c3cccc(OC)c3)no2)cc1 12910057 XDGXLKANHTYUGB-NRFANRHFSA-N 393.487 4.871 0 40 GJAB CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC 12923245 ZKOCXQOZHILMML-UHFFFAOYSA-N 384.483 4.781 0 40 GJAB C[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)N3CCC[C@@H](C)[C@@H]3C)cc2)[C@@H]1C 13573382 DVMVMYMDLLKZEC-FZDBZEDMSA-N 386.540 4.991 0 40 GJAB Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc4ccccc4c3)CC2)c1C 13708736 QIICZFCJJMSFCW-FQEVSTJZSA-N 388.511 4.573 0 40 GJAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 14404623 STNMTMNYRRIQMU-DHZHZOJOSA-N 394.862 4.584 0 40 GJAB CCCOc1ccc(Br)cc1C(=O)Nc1cc(OC)ccc1OC 14651719 CAUDKXGKDQAIJG-UHFFFAOYSA-N 394.265 4.507 0 40 GJAB CCn1nnc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)n1 15356930 JVFFHYMSFGRLIZ-UHFFFAOYSA-N 393.878 4.691 0 40 GJAB O=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccc(Cl)c(Cl)c1 17744931 MJDNABVZHDEJJG-UHFFFAOYSA-N 375.259 4.560 0 40 GJAB O=C(CCOc1ccccc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 18110609 OJIYUYVZRVEXNE-UHFFFAOYSA-N 397.478 4.625 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c(C)c1 20450314 WCHKNYQSWQMNRM-KRWDZBQOSA-N 394.515 4.656 0 40 GJAB CC(C)c1ccc(-c2nnc(NC(=O)c3ccc(Br)cc3)o2)cc1 20495961 RHTWFXJYSDXIHS-UHFFFAOYSA-N 386.249 4.875 0 40 GJAB COc1ccc([C@H](NCc2ccccc2)[P@](=O)(O)CCc2ccccc2)cc1 20567237 LDEIBDPASBMKHI-HSZRJFAPSA-N 395.439 4.997 0 40 GJAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2nsnc2c1 21595949 ADMIJIXWPCTUGG-UHFFFAOYSA-N 391.296 4.981 0 40 GJAB CCC[C@H](C(=O)Nc1ccc(N2CCN(CC)CC2)c(C)c1)c1ccccc1 22068223 WKFVEEPKUOWFDP-QFIPXVFZSA-N 379.548 4.659 0 40 GJAB Cc1sc2nc(-c3cccs3)nc(Sc3nc4ncccn4n3)c2c1C 22089278 VTAARPRMDVENJQ-UHFFFAOYSA-N 396.526 4.626 0 40 GJAB O=C(CSc1nnc(NC2CC2)s1)c1ccc2c(c1)-c1ccccc1C2 22173104 YQYFWWZSDVNNJS-UHFFFAOYSA-N 379.510 4.659 0 40 GJAB Fc1ccc(-c2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 24432644 IATKINLGQIDXND-IBGZPJMESA-N 380.419 4.589 0 40 GJAB Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1cccnc1)CC(O)=N2 31819876 ZFTOYVFEQFUOHZ-CYBMUJFWSA-N 381.432 4.967 0 40 GJAB Cc1cn(S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c(-c2ccccc2)n1 32603663 WCDKUAPJSCSFTA-UHFFFAOYSA-N 381.284 4.711 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccc(-n4cccc4)cc3)c12 36613728 GQHNDLCIAGGWSO-CQSZACIVSA-N 386.455 4.690 0 40 GJAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 39753156 DGONQVSCSMECSJ-UHFFFAOYSA-N 387.321 4.608 0 40 GJAB Cc1ccc(CCCNC(=O)c2ccccc2SCc2noc(C)n2)c(C)c1 40051455 VBGYQAMNJRRTNK-UHFFFAOYSA-N 395.528 4.650 0 40 GJAB COc1ccc2oc(C)c(C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)c2c1 41156466 AWHWKXQRXVLOGA-UHFFFAOYSA-N 381.428 4.815 0 40 GJAB COc1cc(OC)c2[nH]c(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)cc2c1 43773525 KTVJVQXUCIAEFX-UHFFFAOYSA-N 393.443 4.876 0 40 GJAB COc1cccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc23)c1 49005250 UPCHZVONYWGSAC-INIZCTEOSA-N 390.487 4.705 0 40 GJAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1F 67296297 DHRXXLFEEKUZPF-DAFNUICNSA-N 377.350 4.591 0 40 GJAB O=c1[nH]c(CSC[C@@H](O)c2ccccc2)nc2scc(-c3ccccc3)c12 69390009 GMTOZHVJSKMUQJ-QGZVFWFLSA-N 394.521 4.618 0 40 GJAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(Cl)cc(Cl)c1 72330071 QYVKTMNYGVSAAG-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 72359340 FNYKUIUFISVSLI-LJQANCHMSA-N 375.447 4.611 0 40 GJAB CCCNC(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 84756565 GPJPVCKUFCSBTK-UHFFFAOYSA-N 392.228 4.928 0 40 GJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)/C=C/c3ccoc3)cc21 96103563 FTGUSCFVVZKURD-VMPITWQZSA-N 396.487 4.729 0 40 GJAB O=C(Nc1ncccc1OCc1ccncc1)c1ccc2ccc(Cl)cc2n1 97013475 RFQOTQOPIXTGTP-UHFFFAOYSA-N 390.830 4.510 0 40 GJAB COc1ccccc1CN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1Cl)C2 100425938 AYDUUQGPJPCWSS-OALUTQOASA-N 398.934 4.664 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 222972556 NHGJUWNNZRBSGZ-RTBURBONSA-N 385.504 4.746 0 40 GJAB CCOc1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1OCC 224113860 TYFVVEBRUAKIKI-UHFFFAOYSA-N 397.500 4.574 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc(C)c(Cl)c1 224184344 CUIFWMBWDCTJII-FQEVSTJZSA-N 375.896 4.618 0 40 GJAB CCCCOc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 224283410 DXOCECOFNQSUBV-UHFFFAOYSA-N 381.407 4.839 0 40 GJAB O=C(CCSc1ccc(Cl)cc1)NCC1(c2ccccc2)CCOCC1 225367348 BXDNYYFDVSRAIK-UHFFFAOYSA-N 389.948 4.687 0 40 GJAB CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCCCCC1 225830516 QRTUVSJEDQYKAD-UHFFFAOYSA-N 391.508 4.576 0 40 GJAB COCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c(C)n1 225863447 MKVBJIYTRRWJNI-UHFFFAOYSA-N 388.895 4.519 0 40 GJAB O=C(Cc1c(F)cccc1Cl)N1CCC(Oc2cccc3cccnc23)CC1 238886315 QBHAFHSLPOAQOG-UHFFFAOYSA-N 398.865 4.640 0 40 GJAB CC(C)n1nccc1C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257344087 ZVSPATVNKDLKKA-SFHVURJKSA-N 398.894 4.674 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1Cl 408587355 BONHNZLDNAUNFR-UHFFFAOYSA-N 379.787 4.558 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)cc1 408693612 AZGISCIHHBPPQB-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)cc1OC 409008432 YLGZPBJVHSYXGW-ZHZULCJRSA-N 397.496 4.681 0 40 GJAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 796988 CJTMOSYUBXKCGE-UHFFFAOYSA-N 375.453 4.561 0 40 GJAB CC(=O)c1sc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)nc1C 959516 OUHZVRYDZISVNA-JLHYYAGUSA-N 392.480 4.885 0 40 GJAB N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(Cl)cc2)o1 1269903 NFOWIDAVDJHUOG-INIZCTEOSA-N 384.892 4.739 0 40 GJAB COc1cc(NC(=O)c2oc3ccccc3c2C)ccc1NC(=O)c1ccco1 1411737 HQBCHZPEUKGRLA-UHFFFAOYSA-N 390.395 4.847 0 40 GJAB CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cc1OCC 3431535 MOZOIRBJZDVPRB-KRWDZBQOSA-N 399.487 4.593 0 40 GJAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 6221284 DLCYSEDBNYWRSW-UHFFFAOYSA-N 379.485 4.946 0 40 GJAB CCN(CC)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1 6318497 BEFGSGUOTODJBF-UHFFFAOYSA-N 395.286 4.635 0 40 GJAB COc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)ccc1OCC(C)C 6832104 UXMHSSQXSHJBDT-UHFFFAOYSA-N 383.473 4.501 0 40 GJAB CCCN1C(=O)S[C@@H](Cc2ccccc2OCc2ccc(Cl)cc2)C1=O 6879240 XUURUHLUSJRZCP-SFHVURJKSA-N 389.904 4.936 0 40 GJAB Cc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1Br 7056262 NCJFXOUBIAQNTL-UHFFFAOYSA-N 394.212 4.577 0 40 GJAB CCn1c(S[C@@H](C)C(=O)N(C(C)C)C(C)C)nnc1-c1ccc(Cl)cc1 7258546 DRHUXZCQCBCGPG-AWEZNQCLSA-N 394.972 4.744 0 40 GJAB Cc1cc(C)cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 7929483 OVDSHWOJNILGTR-CYBMUJFWSA-N 378.255 4.569 0 40 GJAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(F)c(Br)c1 7973547 ZAWCHPZAKLZYGP-ZSOIEALJSA-N 380.600 4.586 0 40 GJAB O=c1[nH]c(O)nc2c1sc1nc(-c3ccccc3Cl)cc(C(F)(F)F)c12 8783266 NAURIWDBARJPEC-UHFFFAOYSA-N 397.765 4.578 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C 9336973 WBDZQODZBODEJD-HXUWFJFHSA-N 378.875 4.722 0 40 GJAB c1ccc2c(c1)O[C@@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 10215127 IDJMWUPOOHOZJT-UTKZUKDTSA-N 376.437 4.719 0 40 GJAB COc1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 12022960 SBEZPLKQYYQNMG-UHFFFAOYSA-N 397.478 4.537 0 40 GJAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@H]1c1nc(-c2cccnc2)n[nH]1 12115776 SFEORRVCCVBBKD-NRFANRHFSA-N 395.466 4.511 0 40 GJAB Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc(-c3ccccc3)cs2)n1 12441715 RPADSOHPULTLSZ-UHFFFAOYSA-N 396.422 4.835 0 40 GJAB COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c(F)c1 12735785 OPMWOTBPDQWAAD-UHFFFAOYSA-N 382.416 4.634 0 40 GJAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)ccc12 12778456 VTSNCOZXKXSJMZ-LLVKDONJSA-N 392.238 4.814 0 40 GJAB COc1ccc(C)cc1-c1csc(NC(=O)c2cc3cc(F)ccc3[nH]2)n1 12910408 SHOPKLRUOFXGBY-UHFFFAOYSA-N 381.432 5.000 0 40 GJAB CCOc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cc1 12927036 JHNJYNSHVIICGT-HSZRJFAPSA-N 392.524 4.733 0 40 GJAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2oc(C)nc2c1 15579259 CHLBICOYPTYWFT-FPYGCLRLSA-N 387.233 4.559 0 40 GJAB Cn1ccnc1[C@H](NC(=O)CCCSc1ccccc1)c1ccc(Cl)cc1 16262021 KDANPRFTTFRKER-HXUWFJFHSA-N 399.947 4.852 0 40 GJAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 16690031 KBAIUAJMRMHVQW-MLGOLLRUSA-N 390.940 4.534 0 40 GJAB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1c1ccccc1 16790636 OQRONRHMIXJLBO-SFQUDFHCSA-N 380.856 4.862 0 40 GJAB CCC(=O)N1CCCc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc21 17247843 SFEOFDCEMUDYCE-UHFFFAOYSA-N 376.378 4.647 0 40 GJAB Cc1cccc(NC(=O)c2ccccc2NC(=O)[C@]2(C)CC2(Cl)Cl)c1 22190812 WKXGLIOZEQJPKU-SFHVURJKSA-N 377.271 4.770 0 40 GJAB CC[C@@H](NC(=O)CCn1nc(C(F)(F)F)cc1C1CC1)c1ccc(C)cc1 28236772 AJISBLHILHDVGB-MRXNPFEDSA-N 379.426 4.745 0 40 GJAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 28288666 VRXFLXHVSZNXJV-QHCPKHFHSA-N 394.559 4.950 0 40 GJAB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2cccc(C)c2)cc1 33561228 HJZZIGXWODTKIW-UHFFFAOYSA-N 379.456 4.568 0 40 GJAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccccc4F)cc3)n2)cc1 33582078 IBKSJXDMHSNEMA-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(F)c(Cl)c1 35684843 OFTQFPDHUMMCQN-INIZCTEOSA-N 398.825 4.823 0 40 GJAB CSc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 38677993 HTIDCMNVFXMMCL-UHFFFAOYSA-N 380.513 4.740 0 40 GJAB O=C(NCc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 44932076 WSBPQMKUVFEWLX-UHFFFAOYSA-N 395.305 4.661 0 40 GJAB CC(C)n1nc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c2ccccc2c1=O 48234917 RJKRZEDUXUNEJW-UHFFFAOYSA-N 398.466 4.973 0 40 GJAB Cc1ccc2c(c1)CCCN2C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 48323996 MGFNTETXEXNITK-UHFFFAOYSA-N 384.785 4.578 0 40 GJAB COc1ccc(-c2nc(Nc3ccc4c(c3)OCCO4)sc2C)cc1OC 58471646 UKUKVVSPSNTJRQ-UHFFFAOYSA-N 384.457 4.651 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1Cl 59227207 NITGMLVJKZPLOA-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB CC(=O)Nc1ccccc1OCc1nnc(-c2ccc(Cl)cc2Cl)o1 63414891 AYHNICVPDPGJIN-UHFFFAOYSA-N 378.215 4.581 0 40 GJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CC[C@@H]1CCCCO1 71894033 ANPOSTQCNVUFHM-AVRDEDQJSA-N 394.515 4.808 0 40 GJAB Cc1ccc(-c2nc(NCc3ccc(F)cc3)ncc2-c2cc(C)no2)cn1 72336743 OVSKINNEIWRCLC-UHFFFAOYSA-N 375.407 4.562 0 40 GJAB COc1ccccc1-c1nn(CN2CCC(Cc3ccccc3)CC2)c(=S)o1 89483991 FBNXBCUHKKHAJP-UHFFFAOYSA-N 395.528 4.793 0 40 GJAB Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(O)o1 137818911 RFOIOFLULFPGSL-LJQANCHMSA-N 379.437 4.717 0 40 GJAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1C(=O)N1CCCCCC1 222716068 HJJBFDXKBYJMCO-UHFFFAOYSA-N 388.870 4.677 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(Cl)cc1 224127984 IUFVIVLNVDEBSO-OAHLLOKOSA-N 375.896 4.600 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NC1CCCC1 224449096 PLUCGWMCKIPZJH-KRWDZBQOSA-N 385.335 4.569 0 40 GJAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(CN2CCCCCC2)cc1 224928538 XDZBJPSSIUQFSZ-UHFFFAOYSA-N 377.532 4.915 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1Cl 225178906 JXXVLSMJRRXHQN-UHFFFAOYSA-N 376.865 4.558 0 40 GJAB CC[C@@H](CNC(=S)Nc1ccc(OC)c2ncccc12)Cc1ccccc1 225634257 ZBDMGWRCLDDBEW-MRXNPFEDSA-N 379.529 4.799 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 225853913 UNBAXXTZJXPVNA-SFHVURJKSA-N 396.531 4.910 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3cccs3)CCCC2)c1 225862021 IKSOPQSDWYQNLV-UHFFFAOYSA-N 394.949 4.944 0 40 GJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CN(Cl)C[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 226335031 ZXLHRZRTZBQUAS-CVERSAMXSA-N 379.972 4.725 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 408619590 JPXCPRHCFDNREE-IBGZPJMESA-N 396.490 4.927 0 40 GJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cccc(C)c3)sc2n1 408621517 OLXVIVBEKLHWPG-UHFFFAOYSA-N 384.530 4.574 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2ccc(F)cc2)cc1 408696799 BYVHXHVASKIBLV-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c1 408722679 CMIAFNSEMWKMLP-DDBVPJQNSA-N 393.486 4.740 0 40 GJAB CC(C)COC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 408998650 BQQKQQHWTJPOPB-SFHVURJKSA-N 380.444 4.782 0 40 GJAB COCCn1c(SCCCc2ccccc2)nnc1-c1ccc(Cl)cc1 409107308 QUBBHKGSWIVSRG-UHFFFAOYSA-N 387.936 4.970 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1 409177096 AMHKHOBISXKQGN-UHFFFAOYSA-N 397.814 4.516 0 40 GJAB Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(NC(=O)c2ccncc2)cc1 531709002 QNGXZANLPQCHII-JOCHJYFZSA-N 387.483 4.646 0 40 GJAB CC[C@@H](CSc1ccccc1)NC(=O)Nc1ccc(Oc2cccnc2)nc1 556311255 QVPOACNJTNZKAC-INIZCTEOSA-N 394.500 4.961 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3cc(-c4ccc(C)cc4)no3)no2)cc1 606422403 WVKJGTSQCWHECS-UHFFFAOYSA-N 375.384 4.566 0 40 GJAB Cc1cc(C)cc(Oc2cccc(F)c2NC(=O)N(C)Cc2nnc(C)o2)c1 667287650 OBGWRLSYVDUKBN-UHFFFAOYSA-N 384.411 4.590 0 40 GJAB C=CC(=O)NCc1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2(C)C)cc1 1584988298 VEXKYQKJQHZQIG-HXUWFJFHSA-N 396.918 4.551 0 40 GJAB C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 1675481768 RBXGSQZERAYESD-PBHICJAKSA-N 379.932 4.573 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CCC23OCCO3)C1 2049238302 DPBGWNOQXKBDCB-BIBIXIOVSA-N 376.537 4.704 0 40 GJAB CC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1nc2ccccc2s1 752982 ZKGZZNDSSPSZMH-UHFFFAOYSA-N 381.844 4.569 0 40 GJAB Cc1cc(C)cc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C)C(=O)O)c1 799529 RFWOUCYBEZXBDI-KSSFIOAISA-N 393.405 4.840 0 40 GJAB COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OC(=O)C(C)C 804888 OIHPEKGZYMNSJC-GOSISDBHSA-N 389.451 4.884 0 40 GJAB O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CCCCCC1 865741 JVXSJKRVJYVZSO-WFASDCNBSA-N 398.454 4.621 0 40 GJAB CC[C@@H](C)OC(=O)COc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 957125 RFQUKHQWYGXBKO-OAHLLOKOSA-N 382.412 4.614 0 40 GJAB Cc1cc(NC(=O)Nc2cccc(Cl)c2)c(O)c(-n2nc3ccccc3n2)c1 1425367 YCTCTWAAHCJCJI-UHFFFAOYSA-N 393.834 4.732 0 40 GJAB CC[C@@H](C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1 2461083 SVWSXOBSUJKOPJ-LLVKDONJSA-N 381.450 4.797 0 40 GJAB COc1ccc(OCCNC(=S)Nc2ccc(-c3ccccc3)cc2)cc1 3079878 IFQQWGKFOQDQKJ-UHFFFAOYSA-N 378.497 4.728 0 40 GJAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1ccccc1 3244874 NSYZJPXTZGEODP-UHFFFAOYSA-N 388.448 4.759 0 40 GJAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1-c1ccccc1 3252840 WUBMBDGNBKLFGZ-UHFFFAOYSA-N 382.419 4.697 0 40 GJAB O=C(Cc1c(F)cccc1Cl)Nc1c(F)cc(F)cc1Br 3449299 LQPQRMGQYFVUNK-UHFFFAOYSA-N 378.575 4.701 0 40 GJAB Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)cc2)c1 4120208 IJXGBXQSUUNJQD-UHFFFAOYSA-N 389.318 4.503 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c1 4330916 ZFDHFWAAMCCQPP-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB CCOc1ccc2nc3sc(C(=O)N4CCc5ccccc54)c(N)c3cc2c1 4848820 ZQOJZEOKVIYYDJ-UHFFFAOYSA-N 389.480 4.633 0 40 GJAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 4849302 GWOPNIOBPXHDAO-UHFFFAOYSA-N 393.512 4.795 0 40 GJAB O=C(NCCSCc1ccc(Cl)cc1)c1ccccc1Br 5245403 YLQAFAPKHYNJHX-UHFFFAOYSA-N 384.726 4.766 0 40 GJAB O=C(Cc1ccccc1F)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 5780863 AXODSLZBESPXLP-UHFFFAOYSA-N 387.410 4.943 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccccc12 6384095 UTTFAQLYXBXKDB-MRXNPFEDSA-N 378.472 4.713 0 40 GJAB COC(=O)c1ccc(CSc2nnc(Nc3cccc(Cl)c3)s2)o1 7578511 YECFEBXBJAKPMI-UHFFFAOYSA-N 381.866 4.607 0 40 GJAB C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)c1ccccc1Cl 7736661 WDEIOVKCTANOKT-JTQLQIEISA-N 396.850 4.767 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)c3ccc4c(c3)OCO4)s2)cc1C 7754636 LNJJLKPUBUXDJV-UHFFFAOYSA-N 399.497 4.602 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 7881991 TXWCLQVAXPKODP-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 7882111 QYOHMWQUGXFKGK-GXTWGEPZSA-N 377.271 4.542 0 40 GJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc1 7935366 OWJIAHKFTPVKGY-SNVBAGLBSA-N 384.270 4.716 0 40 GJAB CCc1cccc(C)c1NC(=O)CCc1c(C)nc(SC(F)F)nc1C 8007545 KNEXLGTVDHTHIU-UHFFFAOYSA-N 379.476 4.850 0 40 GJAB COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1cccc2ccccc12 8113675 SCCGDNSECWYNRG-DEDYPNTBSA-N 398.462 4.613 0 40 GJAB COc1ccc(NC(=O)c2cc3ccccc3o2)cc1NC(=O)c1ccco1 8191093 MZYIZTAGTIERFV-UHFFFAOYSA-N 376.368 4.539 0 40 GJAB O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N(Cc1cccnc1)C1CC1 8194059 ITRHWNFFDVLRBO-UHFFFAOYSA-N 394.478 4.739 0 40 GJAB COc1ccc(C(=O)CN(C2=NCCCS2)c2cccc(C)c2C)cc1OC 8415086 FHWHSPJLQJIZCT-UHFFFAOYSA-N 398.528 4.503 0 40 GJAB O=C(O)c1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 8470173 DLRXLVYHFPMIFB-UHFFFAOYSA-N 394.814 4.543 0 40 GJAB CC(=O)c1cc(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)oc1C 9256449 JWVUMZCEGTVSQE-GOSISDBHSA-N 382.485 4.697 0 40 GJAB Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)c(C)c3)n3ccccc23)c1 9316496 JKVOVEHTHMUHNT-UHFFFAOYSA-N 397.478 4.930 0 40 GJAB COc1ccc(C(=O)c2oc3cc(NC(=O)C(C)C)ccc3c2C)cc1OC 9420137 WCYGQEAKUNWVGP-UHFFFAOYSA-N 381.428 4.584 0 40 GJAB biogenic C[C@H](C(=O)NC[C@@H](O)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9420419 DVUPTRVSXBZMLM-RCDICMHDSA-N 392.886 4.928 0 40 GJAB O=C(N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1 9607397 LYLROKZEQMXEAE-IBGZPJMESA-N 389.842 4.909 0 40 GJAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc2c(c1)OCCCO2 9643061 DZPLWNWATNLRDW-UHFFFAOYSA-N 381.403 4.818 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C)cc2C)cc1 10363638 FCDFLDBCTQBOFA-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)ccc1Br 11375641 HVTNGHZEQHFGGC-UHFFFAOYSA-N 385.261 4.984 0 40 GJAB CC[C@H](C(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1)c1ccccc1 12183940 PBVUFESJGQMIJS-SFHVURJKSA-N 392.524 4.911 0 40 GJAB O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2cccs2)nn1-c1ccccc1 12590324 XBTWJYWJDYULSJ-UHFFFAOYSA-N 385.452 4.729 0 40 GJAB O=C(/C=C/c1ccccc1Br)N1CCC[C@H]1c1nc2ccccc2[nH]1 12739420 OIJWBHZBVGZQJW-DXRVJIQQSA-N 396.288 4.702 0 40 GJAB CCOc1ccc(CN(C)C(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 12878921 DDOMBQUEJNRFSN-UHFFFAOYSA-N 398.484 4.573 0 40 GJAB CCC[C@H](C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccccc1 12975575 FKNMFPVHZUQTFR-RBBKRZOGSA-N 392.543 4.675 0 40 GJAB Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(C)c(C)c2)c1 13006124 ZMLBOECRNKHAQG-UHFFFAOYSA-N 388.467 4.773 0 40 GJAB O=C(CCCc1ccccc1)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 13695025 XYVBTRSWYJGRCY-UHFFFAOYSA-N 376.500 4.727 0 40 GJAB O=C(CCCOc1ccccc1)NCCSCc1c(F)cccc1Cl 14400427 IMJNEWOCXUKIDV-UHFFFAOYSA-N 381.900 4.688 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)N(Cc3ccco3)Cc3cccs3)cc2)n1 14999512 JCVPQZMSMRVHCS-UHFFFAOYSA-N 391.496 4.986 0 40 GJAB Cc1ccc(CC(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 19209464 KLXHYEULACEWKY-INIZCTEOSA-N 399.441 4.726 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1Cl 20455312 ZJVCZAOXKJZLHQ-UHFFFAOYSA-N 381.856 4.528 0 40 GJAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 27792485 AWTQRSKZMWHNMI-KRWDZBQOSA-N 381.907 4.854 0 40 GJAB CCc1nc(C)c2c(C)c(C(=O)N3CCC[C@H]3c3ccc(OC)cc3)sc2n1 32903163 MZJWBDVCZZRNEK-KRWDZBQOSA-N 395.528 4.856 0 40 GJAB CSc1cccc(NC(=O)Cc2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)c1 35592879 ACKWXJPXDDZNGD-CYBMUJFWSA-N 380.469 4.568 0 40 GJAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccc(NC(=O)c2ccccc2)c1 36393066 HEAGGLYUPSUQHT-KRWDZBQOSA-N 397.478 4.840 0 40 GJAB Cc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2c1 36612976 MCMDZPOVTWFPFC-UHFFFAOYSA-N 379.847 4.757 0 40 GJAB O=C(Cn1ccc2ccc(Cl)cc21)NCCc1c[nH]c2ccc(Cl)cc12 40286801 SBOXUTVIHANAKU-UHFFFAOYSA-N 386.282 4.788 0 40 GJAB CC(C)C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 44936785 HQUZGCIFWTXAGL-GMAHTHKFSA-N 382.523 4.941 0 40 GJAB NC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)ccc1Cl 46645406 WOXRIQDBIANHKQ-UHFFFAOYSA-N 375.211 4.605 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)n[nH]2)c(OC)c1 57412986 RZEUVOIIPKFCRG-UHFFFAOYSA-N 392.242 4.653 0 40 GJAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccccc3Cl)n2)cc1 67257524 ADNVAFGAASTCMH-UHFFFAOYSA-N 399.903 4.845 0 40 GJAB O=C(N[C@@H]1C[C@H]1c1ccccc1)C1(c2ccc(Cl)cc2Cl)CCOCC1 67516521 YPKXMTSUBDLWLO-QFBILLFUSA-N 390.310 4.714 0 40 GJAB COc1ccc2cc([C@@H]3CC(c4ccc(F)cc4)=NN3C(C)=O)c(Cl)nc2c1 69351377 OBSOCGICXUQUFX-FQEVSTJZSA-N 397.837 4.734 0 40 GJAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3ccc(C)o3)N1CC2 72342217 SFDNJAHXLUUHEA-PKTZIBPZSA-N 376.456 4.677 0 40 GJAB Cc1noc(C)c1/C=C1\SC(=O)N=C1Nc1ccc(OC(F)(F)F)cc1 72401599 LPSJZXPWFCQUMB-QPEQYQDCSA-N 383.351 4.908 0 40 GJAB COc1ccc(NC(=O)c2ccc(-c3cccs3)nc2C)c2cccnc12 84040873 XWPHWGFBZGRFTH-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB O=C(O)c1ccc([C@@H]2SCC(O)=Nc3ncn(-c4ccc(Cl)cc4)c32)cc1 95476155 XTLXQZXAKSKMGP-KRWDZBQOSA-N 399.859 4.648 0 40 GJAB CC[C@H](C)Sc1ccc(NC(=O)N[C@@H]2CCCC3(C2)OCCO3)c(C)c1 96006820 ZDABIBOVMRZBKN-JKSUJKDBSA-N 378.538 4.693 0 40 GJAB CCCc1ccc(-c2nc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)sc2C)cc1 102343002 ZLHNHDHHBZTYSM-FJIDUMEYSA-N 396.512 4.532 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccccc1C(C)C 219301080 VEWOTKMAMHPIES-HNNXBMFYSA-N 399.516 4.738 0 40 GJAB O=C(COc1ccc(Cl)cc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219316333 SRSFAQIMPRXPBQ-SFHVURJKSA-N 397.874 4.704 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cc1 222884948 DKGJFZWMUWQKSO-SFTDATJTSA-N 376.529 4.563 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224697050 QRYIEXXLYCZVKF-XMMPIXPASA-N 394.559 4.709 0 40 GJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225618889 MERZXCVAFBYIOE-PWHSHALESA-N 390.568 4.577 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(C)c1 225801719 HBZFSMYQYWEULK-CYBMUJFWSA-N 387.892 4.881 0 40 GJAB Cc1ncc(-c2nc(-c3ccsc3)no2)c(N[C@H]2CCc3ccccc32)n1 239846211 KZFWUAVWBATLDO-KRWDZBQOSA-N 375.457 4.663 0 40 GJAB CCCCn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1ccccc1OC 257259495 KYQPYWSAHQYFBG-UHFFFAOYSA-N 380.444 4.733 0 40 GJAB CCOc1cc(/C=C/C(=O)Nc2ccc(Br)c(C)c2)ccc1OC 408612336 UZIQSWDRWXFJOD-UXBLZVDNSA-N 390.277 4.817 0 40 GJAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1 409341253 AOIOLPCSJSBUHN-UNOMPAQXSA-N 394.496 4.541 0 40 GJAB COc1ccccc1C(=O)c1cc2cc3c(cc2oc1=O)N(C)C(C)(C)C[C@@H]3C 575473061 BJZGJTUBTIOHKH-AWEZNQCLSA-N 391.467 4.755 0 40 GJAB Cc1ccc(CC2CN(C(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)C2)cc1 665950586 RMMIIEYAWHTBPH-UHFFFAOYSA-N 398.413 4.689 0 40 GJAB CCOc1ccc2ccccc2c1C(=O)NCC(c1ccco1)c1ccco1 669660830 FXRILUWNBZDMHB-UHFFFAOYSA-N 375.424 4.986 0 40 GJAB C[C@@H](C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1cccc(C(=O)c2ccccc2)c1 1632457788 PDSYVHDTORRLHM-MRXNPFEDSA-N 396.446 4.501 0 40 GJAB CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 646318 BYNJCSDQCOBNAI-UHFFFAOYSA-N 388.876 4.880 0 40 GJAB Cc1cc2cc3c(cc2nc1SCC(=O)c1c[nH]c2ccccc12)OCO3 929870 ZEEVSTKBIUJRAT-UHFFFAOYSA-N 376.437 4.728 0 40 GJAB COc1cccc(C(=O)N(CC(C)C)c2nnc(-c3ccccc3C)s2)c1 1345324 ITSSADHJNOARCD-UHFFFAOYSA-N 381.501 4.825 0 40 GJAB CC[C@@H](C)[C@@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O 2604893 SGYQTZNDBKRINT-CXAGYDPISA-N 375.428 4.954 0 40 GJAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 3014715 BYAUYHGCJQVZBG-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cccc(F)c1)c1ccccc1 3401451 OWGHZNFEIRNLCY-OAQYLSRUSA-N 393.414 4.761 0 40 GJAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CSCc1ccccc1 4033102 ZXNGHRHHNBRDEN-UHFFFAOYSA-N 388.496 4.577 0 40 GJAB O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)Nc1ccccc1F 4162832 GOLIVJCASUVNAR-LJQANCHMSA-N 396.443 4.628 0 40 GJAB aggregator CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 4262960 WJXKAOLUUZZWTE-QGZVFWFLSA-N 390.270 4.568 0 40 GJAB Clc1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)cc1Cl 4327282 YXEWZUVMAXPRRO-UHFFFAOYSA-N 388.283 4.785 0 40 GJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CC(c1ccccc1)c1ccccc1 5429136 WGVHKYGTILNMOH-UHFFFAOYSA-N 397.478 4.917 0 40 GJAB CN(CCN(C)C(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl 6226777 JKCIDLQCZKIFSM-UHFFFAOYSA-N 395.290 4.621 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1 6236230 RODRNVLCGZLGPM-UHFFFAOYSA-N 376.456 4.540 0 40 GJAB Cc1ccc(NC(=O)Nc2cccc(NC(=O)Nc3ccc(C)cc3)n2)cc1 6276000 ZENYWLXWUPUAQB-UHFFFAOYSA-N 375.432 4.986 0 40 GJAB O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 6416269 NZTRJKLIGJHPNQ-UHFFFAOYSA-N 375.315 4.587 0 40 GJAB O=S(=O)(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccs1 7054308 NHGFKKYLHFNVND-UHFFFAOYSA-N 386.523 4.749 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1CCc1ccccc1 7128359 HTEWLNBPKHHLNN-DEOSSOPVSA-N 394.478 4.682 0 40 GJAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cc(Cl)c2c(c1)OCO2 7782322 BTJQFMSJBDEERK-BQYQJAHWSA-N 378.815 4.886 0 40 GJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1 8041154 ZGNRJVAXWPPBBU-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB O=C(c1cc2c(F)cccc2s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8279451 DHBCXBPIWNLDRP-MRXNPFEDSA-N 383.444 4.789 0 40 GJAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)cc1 8433658 YAJYUVJPUMYJJX-UHFFFAOYSA-N 381.815 4.928 0 40 GJAB COc1cc(CNCCc2ccc(F)cc2)ccc1OCc1ccccc1F 8472267 RBLOAECCUXNXQO-UHFFFAOYSA-N 383.438 4.885 0 40 GJAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O 8844978 AHBGCLBEFJIHPN-IBGZPJMESA-N 391.515 4.540 0 40 GJAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)cc1 8991843 WAUWYFQPMKPVCF-NRFANRHFSA-N 375.403 4.555 0 40 GJAB O=C(Nc1nonc1-c1ccccc1)c1cc(-c2ccc3c(c2)CCCC3)on1 9575742 UMZIWWVOMFUIMA-UHFFFAOYSA-N 386.411 4.523 0 40 GJAB Cc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 9668729 WKTYYVVLHGSISA-UHFFFAOYSA-N 378.394 4.632 0 40 GJAB Fc1ccccc1COc1ccc2ccccc2c1CNCCCn1ccnc1 10313975 ZKWDXBALDXLAME-UHFFFAOYSA-N 389.474 4.934 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)CCSc2ccc(Cl)cc2)c1 10444149 IKGRKKOTGMMOJA-UHFFFAOYSA-N 377.893 4.946 0 40 GJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10546311 ZXPSHKLPOOZMKR-INIZCTEOSA-N 389.430 4.982 0 40 GJAB CCCCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21 12420117 WUVCSHIBIOFFAT-VWLOTQADSA-N 397.478 4.759 0 40 GJAB Cc1cc(F)ccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 12551727 LXOLSAMLWYNIEL-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB O=C(CCc1nc2ccccc2s1)N1CCC(CCc2ccc(O)cc2)CC1 13003237 KWVJWWJWURCMLG-UHFFFAOYSA-N 394.540 4.806 0 40 GJAB Cc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1C 13426965 UMNKTLBPMNCGQK-BZZOAKBMSA-N 388.423 4.511 0 40 GJAB Cc1nc(Nc2nc(C)c(C(=O)Nc3ccc(Cl)cc3)c(C)n2)sc1C 13610748 AQEDFQYTBZQQHL-UHFFFAOYSA-N 387.896 4.816 0 40 GJAB Cc1ccc(C)c(-c2csc(NC(=O)Cc3cnn(-c4ccccc4)c3)n2)c1 14848137 XRQHKQSHDXJWQX-UHFFFAOYSA-N 388.496 4.794 0 40 GJAB CN(CCCNC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 16188511 YOIABAVFOUKJOI-UHFFFAOYSA-N 395.290 4.669 0 40 GJAB Cc1ccc(-c2nc3n(c2CNC(=O)c2ccc(Cl)cc2)CCS3)cc1 17051248 OSCKXTQSESFUSH-UHFFFAOYSA-N 383.904 4.548 0 40 GJAB Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)Cc1cccc(Cl)c1 19239584 CSSRZBHEDIQQEL-HXUWFJFHSA-N 394.906 4.730 0 40 GJAB Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)C[C@H]2C=CCC2)n1 19286995 NLAIMGCAPUZUMM-FQEVSTJZSA-N 398.510 4.732 0 40 GJAB CCn1ncc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)no2)c1C 19523955 WEWUPYBJMYUQJG-QFIPXVFZSA-N 394.519 4.992 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1cccc(OC)c1 20106427 OZOHFCUHVSELCU-LJQANCHMSA-N 377.937 4.968 0 40 GJAB CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCCC3)c(O)n2n1 22852999 XAHJLVWTTICPSA-AWEZNQCLSA-N 397.331 4.551 0 40 GJAB CCOC(=O)c1c(NC(=O)N2CCC[C@H]2c2cccs2)sc(C)c1C 24564476 QHXBUPFHBAAHFC-ZDUSSCGKSA-N 378.519 4.972 0 40 GJAB CCOc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(CC)cc2)cc1 27027388 WYQOINZULRHRSQ-UHFFFAOYSA-N 382.529 4.830 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 27385128 PTJMBTIWBRXJPP-AWEZNQCLSA-N 390.936 4.740 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1F 27976885 ZBANXXDOGZOLDE-UHFFFAOYSA-N 377.341 4.899 0 40 GJAB CCn1cc(Cl)c(C(=O)Nc2ccc(Br)cc2C(F)(F)F)n1 28304302 IKLBMAHEZWVBNB-UHFFFAOYSA-N 396.594 4.590 0 40 GJAB CCCCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c2cccnc12 32623698 VRYBFFQZBWJSDO-UHFFFAOYSA-N 388.423 4.772 0 40 GJAB CCc1ccc(NC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)cc1 33172462 HGNSLRZIQSUOIX-UHFFFAOYSA-N 376.485 4.713 0 40 GJAB CC(=O)Nc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)cc1 36748096 DYWJLQDLWLBOLS-HZHRSRAPSA-N 396.446 4.681 0 40 GJAB O=C(Nc1ccc(I)cc1)c1cc2cc(Cl)ccc2o1 39897554 RQNXUVXQCUAJTA-UHFFFAOYSA-N 397.599 4.943 0 40 GJAB Cc1cccc(OCCNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c1C 41156701 KWOIZXOKKAVWMC-UHFFFAOYSA-N 390.483 4.646 0 40 GJAB CCCCc1ccc(NC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)cc1 58099739 SIVZQOUQMDGZRB-KRWDZBQOSA-N 386.439 4.573 0 40 GJAB CC[C@@H](NS(=O)(=O)c1ccc(C(C)C)cc1)c1nc(-c2ccccc2)c[nH]1 58216374 PNKINKRTWNATOP-LJQANCHMSA-N 383.517 4.630 0 40 GJAB Clc1cccc(-c2nnn3c2nc(NCc2ccccn2)c2ccccc23)c1 67261516 SFZLDJWBDXYCCP-UHFFFAOYSA-N 386.846 4.605 0 40 GJAB COc1ccc(OC)c(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)c1 71977921 JYHZBGJAMNQMJN-UHFFFAOYSA-N 376.243 4.717 0 40 GJAB CC[C@H](C)Nc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213574 NQDYRELIMKYKSL-PXNSSMCTSA-N 387.549 4.516 0 40 GJAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN2CCCc2ccccc2)n1 72378680 DPKIEXXQRFZKAB-NRFANRHFSA-N 375.520 4.555 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)c1ccc2oc(C(C)C)nc2c1 95993504 QUNRRSUSDHMOGH-UHFFFAOYSA-N 382.508 4.626 0 40 GJAB COc1ccc([C@H]2CC3=Nc4nc(C)nn4[C@@H](c4ccccc4)C3=C(O)C2)cc1 102715061 UODIEKVFTSZTSA-JTSKRJEESA-N 386.455 4.660 0 40 GJAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](N5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118923127 JYBLPRVSUYUPPM-KXQNOTADSA-N 385.592 4.878 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1ccc(OC)c(OC)c1 216359760 XWSUECPJQIWURO-FQEVSTJZSA-N 393.483 4.673 0 40 GJAB O=C(N1CCS[C@H](c2ccccc2F)CC1)C1(c2ccccc2)CCOCC1 219112766 VBHWTQZSZBWBPW-NRFANRHFSA-N 399.531 4.581 0 40 GJAB O=S(=O)(NCc1cccnc1-c1ccsc1)c1c(Cl)cccc1Cl 225649256 OYOVHVOZDKFOPO-UHFFFAOYSA-N 399.324 4.595 0 40 GJAB Cc1cccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3Cl)n2)c1 225813755 XGNLJBRXKDAFHK-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](OC(C)=O)CC[C@H]32)C1 253497779 BQIBBYLXJDSLIR-PTXFAPMGSA-N 376.537 4.893 0 40 GJAB biogenic CCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 408585791 IQMLHLMXRNXEHM-UHFFFAOYSA-N 397.652 4.541 0 40 GJAB CCOC(=O)C1=C(c2ccccc2)NC(SC(C)C)=N[C@@H]1c1ccccc1 408986449 CJKZWFCJEZQAHP-LJQANCHMSA-N 380.513 4.803 0 40 GJAB O=C(Nc1ccccc1)Nc1ccc(-c2noc(-c3conc3C3CC3)n2)cc1 582010470 GOGKXYBQGVNKFG-UHFFFAOYSA-N 387.399 4.913 0 40 GJAB CC(=O)N1CCCCCCCCN(C(=O)Cc2ccccc2)Cc2ccccc21 2037884947 KXVRKYGJPQQYNU-UHFFFAOYSA-N 392.543 4.965 0 40 GJAB Fc1ccc([C@@H](OCCN2CCCC2)c2ccc(Br)cc2)cc1 702120 HCENOERZKIRXPE-IBGZPJMESA-N 378.285 4.790 0 40 GJAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 958123 ACHDLWPCNWEIIA-KRXBUXKQSA-N 384.646 4.842 0 40 GJAB CCOc1ccc(-c2c(C)sc3ncn(Cc4ccccc4)c(=O)c23)cc1 958893 VYRORPGJSIHQQO-UHFFFAOYSA-N 376.481 4.880 0 40 GJAB CC(C)(C)c1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 1016495 YVFNWDMADVCHLK-UHFFFAOYSA-N 388.500 4.548 0 40 GJAB CCCc1nc2sc3c(NCCCN(CC)CC)ncnc3c2c2c1CCC2 2407986 OLOMOJQYRMMWSF-UHFFFAOYSA-N 397.592 4.825 0 40 GJAB CCCCSc1nc(NC[C@H](C)O)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2423495 CYQUGIJRQGOHNL-BUXKBTBVSA-N 395.594 4.618 0 40 GJAB CC[C@H](C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1 2461086 SVWSXOBSUJKOPJ-NSHDSACASA-N 381.450 4.797 0 40 GJAB O=C(c1ccco1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 5022719 BUAJDIJSJPZOMI-OAHLLOKOSA-N 385.217 4.627 0 40 GJAB O=S(=O)(Nc1ccccc1Br)c1cc(Cl)ccc1Cl 5392769 UDMNBKYYHXNJSB-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB O=C1NC(c2ccncc2)=C(c2nc3ccccc3s2)[C@@H](c2ccccc2)N1 5572273 IMURLTYUVVVYMS-LJQANCHMSA-N 384.464 4.614 0 40 GJAB CSc1cccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)c1 6038277 DUXTZSBWHQQYGO-UHFFFAOYSA-N 392.480 4.948 0 40 GJAB COc1ccc(-c2cn3c(C)c(C(=O)N4CCc5ccccc54)sc3n2)cc1 6309192 YCDIEINJGZSCNU-UHFFFAOYSA-N 389.480 4.583 0 40 GJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(Cl)cc2)cc1 6630400 RKWVBZMWIQHCFV-UHFFFAOYSA-N 394.858 4.759 0 40 GJAB Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccccc3)c3ccccn3)oc2c1 6660432 YGGXKLDHIATIMW-UHFFFAOYSA-N 384.435 4.652 0 40 GJAB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)N(C)c3ccccc32)c1C 6964126 VLMGDQPNBIILJD-DEDYPNTBSA-N 387.439 4.828 0 40 GJAB Cc1ccc(Sc2ncccc2C(=O)NCCSCc2ccco2)cc1 7000031 CBRPLRRZXDKXEN-UHFFFAOYSA-N 384.526 4.797 0 40 GJAB C[C@@H]1C[C@@H](Sc2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)C(=O)O1 8192515 XFCVZHYMQQMBCG-MLGOLLRUSA-N 399.497 4.870 0 40 GJAB O=C(Cc1cn2ccsc2n1)Nc1ccccc1SCc1ccccc1 8725434 CRNZDQZOTCRXSL-UHFFFAOYSA-N 379.510 4.869 0 40 GJAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1c2c(nc3ccccc13)CCC2 9096538 IKRIDJZYNYPPHI-UHFFFAOYSA-N 399.538 4.617 0 40 GJAB CN(Cc1ccsc1)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 9605844 XYXZVROVKZOKJD-UHFFFAOYSA-N 379.510 4.935 0 40 GJAB COc1ccc(NC(=O)[C@H](Sc2ccc(C(F)(F)F)cn2)C(C)C)cc1 10536000 PZJZSRXNERKEMB-MRXNPFEDSA-N 384.423 4.864 0 40 GJAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1F 12548960 OPUUISFBHMACBS-UHFFFAOYSA-N 377.444 4.895 0 40 GJAB COc1ccc(-c2noc(CN3CCCCC[C@H]3c3ccc(OC)cc3)n2)cc1 12567906 ILPLSZXXZPMYJX-NRFANRHFSA-N 393.487 4.871 0 40 GJAB COc1cccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)c1OC 12801568 AJUUJBBZJRQTME-UHFFFAOYSA-N 380.469 4.621 0 40 GJAB C[C@H](NC(=O)c1ccccc1I)c1cc2ccccc2o1 12924927 BMZRLITWRKGAOG-NSHDSACASA-N 391.208 4.528 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)C1CCCC1 13266690 KYLNQCJGLGDCAY-UHFFFAOYSA-N 395.528 4.628 0 40 GJAB COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 13495021 NQUHPDUNUYKUKK-CQSZACIVSA-N 379.460 4.534 0 40 GJAB CC(=O)[C@@]12C(=O)Oc3ccc4ccccc4c3[C@@H]1[C@@]2(C)C(=O)c1ccc(C)cc1 13757457 COLOXOVVOKQLDC-ZODMCCGTSA-N 384.431 4.629 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(F)c(Cl)cc1Cl 14198949 VJTKOTPGFDLTCH-INIZCTEOSA-N 385.266 4.683 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1-c1ccccc1 15980785 CIIRAIBDFJUEEJ-KRWDZBQOSA-N 379.529 4.909 0 40 GJAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)c2ccc(F)cc2F)C1 19461686 JHNJEWFVJAHEGI-HXUWFJFHSA-N 395.453 4.653 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1C 20144016 AJMQWSLYEQXLKF-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB CCN(C(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(F)cc1 23300089 ZYZFDMAWJJBGIK-UHFFFAOYSA-N 382.435 4.605 0 40 GJAB C[C@@H](OC(=O)c1cccnc1Oc1ccccc1)c1nnc(-c2ccccc2)o1 23328650 CZYIOLILYNCXJK-OAHLLOKOSA-N 387.395 4.842 0 40 GJAB COc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 27583991 HSQDGKGEAJCAFN-HXUWFJFHSA-N 386.923 4.696 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)CSCc2nc3ccccc3s2)cc1 28326263 ZTSZXTPAVDWEDS-SFHVURJKSA-N 398.553 4.902 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3Cl)n2)cc1OC 29147302 QVCOXIHWSPGYBR-UHFFFAOYSA-N 392.839 4.872 0 40 GJAB CSc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 40104442 RVRBQCAUWASPDB-UHFFFAOYSA-N 395.484 4.918 0 40 GJAB CN(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 40122762 SGWUDRBBFKEFIH-GOSISDBHSA-N 389.430 4.658 0 40 GJAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 40128165 OGWNOBSHHBWMAP-INIZCTEOSA-N 391.437 4.826 0 40 GJAB CC(C)CN1CCC(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)CC1 40150819 YPEUKWCDBOEEOV-UHFFFAOYSA-N 391.968 4.694 0 40 GJAB C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)Nc1nccs1 42757420 VEETVYZRJXFMBE-AWEZNQCLSA-N 377.473 4.707 0 40 GJAB CCOc1ccc(CCC(=O)NCCSc2ccc(C)cc2)cc1OCC 44902796 KULAPQFDYJHLLR-UHFFFAOYSA-N 387.545 4.634 0 40 GJAB Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 44912296 MBPXYVHZEMXNHR-QGZVFWFLSA-N 391.342 4.830 0 40 GJAB CC(C)C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 44936776 HQUZGCIFWTXAGL-GGAORHGYSA-N 382.523 4.941 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1Cl 65827469 GTPHMPWNDBEGHV-CQSZACIVSA-N 388.895 4.583 0 40 GJAB CSc1ccc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 72328595 MYUROCHFGNMXBT-UHFFFAOYSA-N 375.494 4.573 0 40 GJAB FC(F)(F)c1cccc(-c2cncc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 72359438 MLRGLRIYRLWUGR-QGZVFWFLSA-N 398.432 4.937 0 40 GJAB O=C(CSCc1ccccc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200154 PTGYVFSGJHTHRH-VQTJNVASSA-N 398.528 4.596 0 40 GJAB Cc1cc2ncn(C[C@H](O)CSc3ncc(-c4ccc(F)cc4)o3)c2cc1C 84129028 LZQYSQWAOGURIW-KRWDZBQOSA-N 397.475 4.600 0 40 GJAB COc1ccc([C@@H](CNc2cc(C(F)(F)F)nc3ccccc23)N(C)C)cc1 89313897 GOADHUSZCVMPAS-LJQANCHMSA-N 389.421 4.977 0 40 GJAB Cc1nc(Cl)c(C)c(NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 95464807 QFKCDBWQVXSFDP-KRWDZBQOSA-N 398.919 4.724 0 40 GJAB CC1(C)[C@@]2(C(=O)Nc3ccccc3F)CC[C@@]1(C)c1nc3ccccc3nc12 100190311 RGRFTQAEEOJLCI-GOTSBHOMSA-N 375.447 4.737 0 40 GJAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2ccccc2)CC1 206988125 OXHUAGHMENTEGC-GOSISDBHSA-N 379.447 4.955 0 40 GJAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CCCN1C(=O)c1cccs1 209863894 QFJLQRCIFMIGLQ-QGZVFWFLSA-N 390.464 4.891 0 40 GJAB O=C(Cc1ccccc1Cl)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219321369 RQNSTRWUIVZNAT-GOSISDBHSA-N 381.875 4.868 0 40 GJAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 224656487 SOHAGPTZZVBBAE-UHFFFAOYSA-N 381.497 4.886 0 40 GJAB Cc1cccc(CSCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225175941 OXXBCTXTWIEXPI-UHFFFAOYSA-N 386.542 4.824 0 40 GJAB Cc1cccnc1Nc1cccc(C2CCN(C(=O)C3CCCCC3)CC2)n1 257299956 RSIHXVDPMASXBJ-UHFFFAOYSA-N 378.520 4.815 0 40 GJAB O=C(COc1ccccc1Cl)Nc1ccccc1-c1cn2ccccc2n1 390826639 AZGBJLCCZREULY-UHFFFAOYSA-N 377.831 4.672 0 40 GJAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1C 408624897 DHJQJMDPKHBASK-UHFFFAOYSA-N 387.439 4.833 0 40 GJAB COc1cccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 408628059 SIFUPIJJYRGVDV-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB CCc1ccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)CC)CC3)CC2=O)cc1 408706912 FAGQYHHZLLUOSA-XEVCZEQESA-N 384.564 4.713 0 40 GJAB Cc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c(C)c1 408713924 CRRFQGKAKQLTHZ-UHFFFAOYSA-N 377.488 4.923 0 40 GJAB Cc1cccc(C(=O)Oc2ccccc2/C=C2/N=C(Cc3ccccc3)OC2=O)c1 408847528 SRMMNHURVLJOGY-LTGZKZEYSA-N 397.430 4.753 0 40 GJAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21)c1ccccc1 409373797 YVDUQCOOQMZPBF-QCFAMHMHSA-N 375.855 4.735 0 40 GJAB CC[C@@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1nc(C(F)(F)F)cs1 525799818 SVCCZNIFDWDZIP-LLVKDONJSA-N 399.369 4.837 0 40 GJAB Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4ccco4)C3)ccn2)n1 585292323 KQNXCMYOZJWCDV-YXBWYFRISA-N 388.471 4.541 0 40 GJAB O=C(CCc1ccc(C(F)(F)F)cc1)NCC(c1ccco1)c1ccco1 675007756 NQMLYCKIVQJEPJ-UHFFFAOYSA-N 377.362 4.772 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3cc(F)ccc3F)CC[C@@H]2N1c1cccc(F)c1 1615152560 ALLJBUSYROCMGQ-VLIAUNLRSA-N 388.433 4.624 0 40 GJAB Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)cc1 1363418 QLQNIOGKSVSOEF-MRXNPFEDSA-N 381.863 4.718 0 40 GJAB CCCSc1nnc2c(n1)O[C@@H](c1ccccc1OCC)Nc1ccccc1-2 2095801 OASXHIVHHDGWLP-IBGZPJMESA-N 394.500 4.943 0 40 GJAB COc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C 2628492 QUDBKUAVSSEJAD-UHFFFAOYSA-N 397.496 4.688 0 40 GJAB COc1ccc(C(=O)c2c[nH]cc2-c2ccc(Br)cc2)cc1OC 3105282 BBGKVNFCHKBRBM-UHFFFAOYSA-N 386.245 4.692 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)c2ccccc2Cl)cc1)c1ccc(F)cc1 3116767 VPRSFEBBFBBEGT-UHFFFAOYSA-N 389.835 4.564 0 40 GJAB O=C(Cc1cccc2ccccc12)OCC(=O)c1ccccc1Br 3296413 VABAGAALUQYYFO-UHFFFAOYSA-N 383.241 4.571 0 40 GJAB CC1=NN(C(=O)c2sc3cccc(Cl)c3c2Cl)[C@@](O)(C(F)(F)F)C1 4178904 BHHNXVRYGFQTDR-ZDUSSCGKSA-N 397.205 4.681 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4231047 QKRUVFHMRFSPCA-UHFFFAOYSA-N 382.891 4.737 0 40 GJAB COc1ccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)cc1 4598308 JVDBQTBVTSKYSF-UHFFFAOYSA-N 391.283 4.619 0 40 GJAB CC1=C(C)C/S(=N/c2ccc(Cl)cc2)N(S(=O)(=O)c2ccccc2)C1 4832818 GJMZRGFFUBFIFJ-UHFFFAOYSA-N 394.949 4.729 0 40 GJAB C[C@H]1C[C@H](C)CN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)C1 4980744 SYIANJXEGMWYPP-HOTGVXAUSA-N 378.495 4.897 0 40 GJAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 5111203 QSFXSTVNQIFQCX-UHFFFAOYSA-N 375.424 4.891 0 40 GJAB CC[C@@H](C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1)c1ccccc1 5240094 ZTIBLBQMBZBYPE-OAQYLSRUSA-N 397.478 4.826 0 40 GJAB C[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(-n2cncn2)cc1 5245851 XAHUWULJSPXTNM-QGZVFWFLSA-N 384.439 4.551 0 40 GJAB CC(C)c1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1 5269830 AIDZOSXBNDRTOK-UHFFFAOYSA-N 380.875 4.926 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C12CC3CC(CC(C3)C1)C2 5417407 PXONJCZFLGDXML-UHFFFAOYSA-N 390.531 4.826 0 40 GJAB Cc1cccc2cc3c(NC(=O)c4ccc(F)cc4)nn(CC(C)C)c3nc12 5500069 VRKDTJLFZJLMKE-UHFFFAOYSA-N 376.435 4.940 0 40 GJAB COC(=O)c1sccc1NC(=O)CSc1nc2cc(Cl)ccc2s1 5719941 SLKSKGNEWJRTQD-UHFFFAOYSA-N 398.918 4.529 0 40 GJAB Cc1ccc2cc(CSc3nnc(-c4ccncc4)n3C)c(Cl)nc2c1C 6654620 NIKDTZYENNBSCD-UHFFFAOYSA-N 395.919 4.988 0 40 GJAB CCOC(=O)c1cc2cc3c(cc2nc1CSc1ccc(C)cc1)OCO3 6758467 HYHGGFFICAODKE-UHFFFAOYSA-N 381.453 4.741 0 40 GJAB Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 6850285 BEJXZSVKQJJKMO-UHFFFAOYSA-N 387.407 4.797 0 40 GJAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1Cl 7073577 BYBGERNVEMMUCA-MDZDMXLPSA-N 382.891 4.539 0 40 GJAB CCOc1ccccc1OCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 8115239 LRHXHRVYMRARIY-HSZRJFAPSA-N 393.508 4.700 0 40 GJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(C)c3OC)sc2c1 8903171 AZABLXHOBSUMBW-UHFFFAOYSA-N 398.484 4.823 0 40 GJAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccc(Cl)cc1Cl 9453016 UBPPLUFTQVOFOT-QMMMGPOBSA-N 399.328 4.959 0 40 GJAB Cc1ccn2c(NC(=O)COc3cccc(F)c3)c(-c3ccc(F)cc3)nc2c1 9515281 HPLLISPRUZDUPJ-UHFFFAOYSA-N 393.393 4.605 0 40 GJAB COc1cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(C)n1 11613271 QCPUSOGOVJGFFV-UHFFFAOYSA-N 383.839 4.835 0 40 GJAB O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1Nc1ccc(F)cc1 12419367 SUYRKMNUBAOHHI-UHFFFAOYSA-N 384.388 4.650 0 40 GJAB CCCCCn1c([C@H](C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 12538730 XJRZJPZQFVGCKE-INIZCTEOSA-N 395.503 4.735 0 40 GJAB COc1ccc(CNC(=O)[C@H](C)SCc2ccc(C(C)C)cc2)cc1OC 12598690 FPINPAWIXBMZQI-INIZCTEOSA-N 387.545 4.765 0 40 GJAB CCOc1ccc(NC(=O)Cc2csc(-c3ccccc3OCC)n2)cc1 12619204 VMFSJTMLRGRZJE-UHFFFAOYSA-N 382.485 4.789 0 40 GJAB CCOc1cc2c(cc1CNC(=O)c1cc(Cl)ccc1Cl)O[C@@H](C)C2 12981170 BOZWXBOCICYLGF-NSHDSACASA-N 380.271 4.646 0 40 GJAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 13228244 NDEIAQZAUWZVKA-NRFANRHFSA-N 382.419 4.555 0 40 GJAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccc3ccccc3n2)n1 15637315 PPZUNBQFWXECJN-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB CCN(C)[C@@H]1CN(C(=O)c2csc(Cc3ccccc3)n2)C2(CCCCC2)C1 19703808 PHNIFSPBXUDKRP-IBGZPJMESA-N 397.588 4.603 0 40 GJAB COc1ccccc1-n1ncc2c(C(C)C)nnc(SCc3ccccn3)c21 23137903 CIDFYVOLTPMSPG-UHFFFAOYSA-N 391.500 4.635 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2CNCCc2ccccc2)cc1 23330270 QLESJDQBDJBHHT-UHFFFAOYSA-N 383.495 4.880 0 40 GJAB Cc1cnc2c(S(=O)(=O)Nc3cccc(-c4csc(C)n4)c3)cccc2c1 23371841 QDEDYACRQYWWKT-UHFFFAOYSA-N 395.509 4.776 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 24383880 HAYDMKHLPBEIRM-QGZVFWFLSA-N 390.464 4.770 0 40 GJAB CCCc1nc(CSc2nnc(N3CCCC3)n2-c2ccc(C)cc2)cs1 24971675 GZSQJGRXENYXPM-UHFFFAOYSA-N 399.589 4.877 0 40 GJAB Cc1ccc2[nH]c3c(SCC(=O)Nc4cccc(Cl)c4)ncnc3c2c1 33172489 FUYKZXPRXAQXAB-UHFFFAOYSA-N 382.876 4.804 0 40 GJAB CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1 35597389 DADCNBXLJPIMSV-UHFFFAOYSA-N 399.458 4.612 0 40 GJAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3ccccc3F)N1CC2 36735065 YQDRBIASGDVUCF-BJKOFHAPSA-N 390.458 4.915 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1Cl 44847808 NJEASKSTHLWKDK-UHFFFAOYSA-N 382.641 4.532 0 40 GJAB CN(C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccccc1 44910219 RTPOOGUUTGFYTQ-INIZCTEOSA-N 377.315 4.868 0 40 GJAB C[C@H](NC(=O)N1CCC(c2ccc(O)cc2)CC1)c1cccc(OC(F)F)c1 46608152 YWTHUBVLFSXKFI-AWEZNQCLSA-N 390.430 4.644 0 40 GJAB CCN(CCCSc1ccccc1Cl)Cc1nc(=O)c2ccccc2[nH]1 58296848 YFOGQBZPXCADKJ-UHFFFAOYSA-N 387.936 4.581 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(OC)c(Cl)c3)o2)cc1 63890162 YMUYETIFSDGGCO-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72348988 AXPFYJFFYQVUNY-HXUWFJFHSA-N 386.495 4.706 0 40 GJAB O=C(Cc1ccccn1)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 72357943 HWLYUOPDQRZVNK-JOCHJYFZSA-N 391.902 4.627 0 40 GJAB Clc1cccc2c1CC[C@@H]2NCc1cc(Br)c2c(c1)OCO2 84445477 PNSGZPTZCZKWSY-HNNXBMFYSA-N 380.669 4.608 0 40 GJAB CCc1nc(C)ncc1C(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 95960220 LBLBRDABISQMOR-UHFFFAOYSA-N 392.406 4.742 0 40 GJAB Cc1cc(C)n(Cc2cccc(C(=O)N3CCC[C@H]3/C=C/c3ccccc3)c2)n1 96002286 UFGHLSDGAOFDGW-XXFRDUSWSA-N 385.511 4.866 0 40 GJAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 103718684 LCKSJWWRKLNAFI-OAHLLOKOSA-N 390.405 4.820 0 40 GJAB COc1ccc(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 216362684 DQTATTZXDUHFBU-UHFFFAOYSA-N 384.328 4.594 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219378359 MRLWFBCDFXANOO-UXHICEINSA-N 397.515 4.888 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219596521 LWKSYLCDJDSVHD-UXHICEINSA-N 383.488 4.580 0 40 GJAB Cc1cc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1Cl 222681026 HWFUNHKXEWQOJF-UHFFFAOYSA-N 394.283 4.838 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1cccc2ccccc12 223571510 LWAJTTNOFHDOON-JOCHJYFZSA-N 377.484 4.809 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1Cl 224458876 KBOMDVXRHKFGAY-FQEVSTJZSA-N 383.875 4.846 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224620904 PKYUHSWDXPGQJD-INIZCTEOSA-N 387.892 4.963 0 40 GJAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccccc1Sc1ccccc1 225720917 DRXNIIIXOXAEAW-UHFFFAOYSA-N 386.476 4.791 0 40 GJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225735037 DNAIXCJZVUSHCL-QHCPKHFHSA-N 390.568 4.721 0 40 GJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc(C)c2nc(N)sc2c1 226311948 NNMSDZNAHQMTOU-UHFFFAOYSA-N 396.299 4.820 0 40 GJAB Cc1nn(CCNC(=O)c2cc(Cl)ccc2Cl)c(C)c1-c1ccccc1 238874420 NRPHKESQFUORNE-UHFFFAOYSA-N 388.298 4.904 0 40 GJAB O=C(NC1CCCCC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257334352 YFNMSGUCHHNTCH-UHFFFAOYSA-N 378.516 4.537 0 40 GJAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCC5(C[C@]4(C)[C@@H]3CC[C@]12C)OCCO5 257350359 WNKZGFORAZKXGS-NXWUBYMWSA-N 376.537 4.704 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)c(C)c2)n1 408698222 MJPFUFPLLBKBJL-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 408809823 JOHLNIMIEXARPO-YVLHZVERSA-N 389.860 4.594 0 40 GJAB O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1cccc2ccccc12 408964601 WLUZNMSEWBKMDD-UHFFFAOYSA-N 390.464 4.771 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 409333894 FNOCMOFJNDJIFM-PMVMPFDFSA-N 399.446 4.642 0 40 GJAB Cc1cc(S(=O)(=O)Oc2ccc3ccccc3c2)ccc1Br 1561071553 SWGPWAPQUNEELH-UHFFFAOYSA-N 377.259 4.678 0 40 GJAB CCOC(=O)c1oc2ccccc2c1CNc1nccc(Oc2ccccc2)n1 1651475114 CNCYLSBVNITQHD-UHFFFAOYSA-N 389.411 4.804 0 40 GJAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cccc2ccccc12 1311961 YRVKXCXUKVBYAP-UHFFFAOYSA-N 381.457 4.715 0 40 GJAB CCN(CC)C(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C)C3 1377298 XEZJHPFABWFUJE-LBPRGKRZSA-N 389.590 4.654 0 40 GJAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NC(C)(C)C)c23)C1 1377327 JPWYOTLIDKHBPZ-LLVKDONJSA-N 389.590 4.700 0 40 GJAB O=C(OCc1ccccc1)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1384892 NWWQAFUZKSPSPP-UHFFFAOYSA-N 388.250 4.560 0 40 GJAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)c1 2602331 ODSFWPGVCFYCAY-UHFFFAOYSA-N 385.217 4.559 0 40 GJAB Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccc(F)cc2)CSC3)c1C 3008352 DCDYUEJULDYBAS-UHFFFAOYSA-N 381.476 4.556 0 40 GJAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(Br)cc2)cc1 3241993 JUSGCCITQXCYIU-UHFFFAOYSA-N 390.277 4.542 0 40 GJAB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3cccc(Cl)c3)c(C)c2c1 3296026 CQEZJJYEYUPGPS-LBPRGKRZSA-N 387.819 4.587 0 40 GJAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1OC 4281995 RYZNZEKFIFHLAV-WZONZLPQSA-N 390.439 4.848 0 40 GJAB O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccncc2)cs1 4303379 URESOAUWVYLOGP-UHFFFAOYSA-N 375.906 4.979 0 40 GJAB COc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OCc1ccccc1 4471191 IPLFKZPSRVHJJM-STZFKDTASA-N 399.446 4.927 0 40 GJAB Cc1ccc(C)c(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccco2)c1 4857265 SZKFQMLYXCHMDH-YQQQUEKLSA-N 383.561 4.769 0 40 GJAB Cn1c(NC(=O)c2ccccc2F)c(-c2ccccc2F)c(=O)c2ccccc21 5347129 NQYHLUHGOFNYTN-UHFFFAOYSA-N 390.389 4.736 0 40 GJAB CCn1c(-c2ccccc2)c(C(=O)CSc2cccc[n+]2[O-])c2ccccc21 5406408 YVJJKEDSMOXZID-UHFFFAOYSA-N 388.492 4.937 0 40 GJAB O=C(Nc1c(Cl)cccc1Cl)c1cccc(I)c1 5944340 LRLJAICZOMLHLW-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB O=c1c2ccccc2nc(SCc2ccccc2Cl)n1C[C@@H]1CCCO1 6067174 YBNSJRVQAVDZBI-HNNXBMFYSA-N 386.904 4.521 0 40 GJAB CC[C@@H](C)c1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)cc1 6077817 DIMXMHOGLXLANI-OAHLLOKOSA-N 395.528 4.979 0 40 GJAB CSc1nsc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 6408412 XTUVFFHCDFPCLE-UHFFFAOYSA-N 399.872 4.663 0 40 GJAB O=C(COCc1cc(-c2cccs2)on1)Nc1cc(Cl)ccc1Cl 6876554 RCRLIRMZCSYCFE-UHFFFAOYSA-N 383.256 4.865 0 40 GJAB COc1ccc2c(c1)CCc1cc(C(=O)Nc3nc4ccccc4[nH]3)sc1-2 6908340 FPLRCWKFXJNSAT-UHFFFAOYSA-N 375.453 4.651 0 40 GJAB CC(C)NC(=O)NCc1ccc(C(=O)OCc2c(Cl)cccc2Cl)cc1 6940479 AJDJKWZNPONLDW-UHFFFAOYSA-N 395.286 4.558 0 40 GJAB CCOc1ccc(CC(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 7614757 DZVWBBVOOYHJSY-UHFFFAOYSA-N 395.509 5.000 0 40 GJAB Cc1cc(C2=Nn3cc(-c4ccccc4)nc3SC2)c(C)n1C[C@@H]1CCCO1 7989625 XDWQJORBBPETOL-SFHVURJKSA-N 392.528 4.506 0 40 GJAB CCn1nnnc1NCc1c(OCc2ccccc2Cl)ccc2ccccc12 8339864 PBTIERTZIOVQNP-UHFFFAOYSA-N 393.878 4.691 0 40 GJAB COc1ccc(-c2nnc3sc(-c4cccc(C(F)(F)F)c4)nn23)cc1 8715073 SAORUOXWBSRRBY-UHFFFAOYSA-N 376.363 4.547 0 40 GJAB O=C(NC1CC1)[C@H](Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1 8725243 GLGMPAVJAQJMPY-JOCHJYFZSA-N 382.467 4.662 0 40 GJAB O=C(CCCc1nc2ccccc2s1)Nc1nc(-c2ccccn2)cs1 9657213 YRHMECHXKWLAQL-UHFFFAOYSA-N 380.498 4.776 0 40 GJAB COCCN1C(=O)C(C)=C(C)[C@@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 9669320 SGQRINZKJYDQTO-HSZRJFAPSA-N 390.483 4.710 0 40 GJAB O=C(CCC(=O)N1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(F)cc1 10881062 CVUQPSKXHBUJBR-UHFFFAOYSA-N 378.447 4.676 0 40 GJAB COc1cccc(OCc2noc3cc(OC(=O)c4ccccc4F)ccc23)c1 11854251 ORSRUYFOBBRKJJ-UHFFFAOYSA-N 393.370 4.774 0 40 GJAB CCc1ccc(Cc2cnc(NC(=O)c3ccc4nnsc4c3)s2)cc1 12274812 XUEZBJLOBHMDOR-UHFFFAOYSA-N 380.498 4.553 0 40 GJAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C)cc4)c3)cn2n1 12441245 YLKHWZCTMYSCAQ-UHFFFAOYSA-N 392.846 4.619 0 40 GJAB Fc1ccc(-c2cc3ncnc(NC[C@H]4COc5ccccc5O4)c3s2)cc1 12690160 CDAUCIIHUTUVGG-HNNXBMFYSA-N 393.443 4.749 0 40 GJAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccccc1Oc1ccccc1 12754628 LAQQZUODOBWYRR-UHFFFAOYSA-N 386.451 4.787 0 40 GJAB C[C@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1cccc(F)c1 12782698 MUKUOHUQMGVOSR-GFCCVEGCSA-N 383.448 4.577 0 40 GJAB CCN(C(=O)c1ccc(OCc2csc(C)n2)c(OC)c1)C1CCCCC1 12987318 LRPSVRJYZWBVAN-UHFFFAOYSA-N 388.533 4.834 0 40 GJAB Cc1nc(N2CCN(Cc3ccccc3)CC2)c2c3c(sc2n1)CCCCC3 13038857 SUIGGBYWWLJKPT-UHFFFAOYSA-N 392.572 4.591 0 40 GJAB Cc1c(C(=O)Nc2ccc3nsnc3c2)oc2cc(Br)ccc12 15841358 KVJWUXNWYVXLNB-UHFFFAOYSA-N 388.246 4.761 0 40 GJAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccccc1)c1nnc2n1CCCCC2 16769787 CBRVZMPFAQEITH-UHFFFAOYSA-N 395.894 4.897 0 40 GJAB CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 19081750 KUKVZNFEICBDBJ-IRLDBZIGSA-N 397.538 4.869 0 40 GJAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3cccc(Cl)c3)sc2C1 20897472 DVAKYZRJRAIZEX-GFCCVEGCSA-N 378.925 4.965 0 40 GJAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1Cl 22540383 DLWIUQANIAKOTB-OAHLLOKOSA-N 381.925 4.703 0 40 GJAB CN(C)[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccsc1 25330696 GCOAGUHLHJVBNG-KRWDZBQOSA-N 392.615 4.650 0 40 GJAB CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)n1 27778887 GCULODNJWJVPCF-CYBMUJFWSA-N 384.505 4.700 0 40 GJAB C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccc(-n2ccnc2)cc1 30016245 UMZGPEBPQBHYJP-AWEZNQCLSA-N 392.846 4.672 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 30758973 SATZACSRCFZXJW-IIBYNOLFSA-N 393.483 4.892 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 31264621 JZGXHHBHLMDYHR-LJQANCHMSA-N 389.879 4.694 0 40 GJAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1 32096070 XJJQMTIJLNCKQV-MRXNPFEDSA-N 380.835 4.683 0 40 GJAB COc1ccc(CC(=O)Nc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 32622533 BSAZIXDGZQMTPW-UHFFFAOYSA-N 399.450 4.902 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1C 38753293 HNMYZGSDHLWWJC-UHFFFAOYSA-N 394.515 4.656 0 40 GJAB COc1ccc(CCCNC(=O)CCSc2ccc(Cl)cc2)cc1OC 65086590 IUVXZDWROMESSM-UHFFFAOYSA-N 393.936 4.588 0 40 GJAB O=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1ccc(Cl)cc1 67350423 FSKDQFNYYQBMKJ-UHFFFAOYSA-N 381.863 4.979 0 40 GJAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1cnc(C)s1 72370501 GFRMZHNFCAKEGM-OAHLLOKOSA-N 399.585 4.623 0 40 GJAB COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)c3cc4ccccc4o3)n2)c1 79054531 PWLMFUDGYONYHT-IBGZPJMESA-N 387.439 4.809 0 40 GJAB C[S@](=O)c1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 95951423 GWZHKYLLGJRISZ-HHHXNRCGSA-N 392.505 4.953 0 40 GJAB CC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3C2CCCCC2)c1 100424376 RCVGWLSFFCWWCV-FGZHOGPDSA-N 383.536 4.729 0 40 GJAB CCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2c(OC)ccc(OC)c21 101061493 MQGJPEYATNCQNQ-ZPHPHTNESA-N 396.921 4.586 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSc1ccccc1 223134058 KWRDUVQNXMOEKW-HXUWFJFHSA-N 398.572 4.501 0 40 GJAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cccc(C)c1 224115236 DNHSHHYQNVEOGH-UHFFFAOYSA-N 387.479 4.781 0 40 GJAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 224747602 POCOTXCARZEBLY-UHFFFAOYSA-N 384.951 4.690 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)CSCc2c(F)cccc2Cl)c1 225140163 OGQQVFNYQUMWMH-LBPRGKRZSA-N 397.899 4.607 0 40 GJAB CCOC(=O)c1cc(NC(=O)COc2cc(C)ccc2C(C)C)ccc1Cl 225559769 GZGBLFAYCSKOTF-UHFFFAOYSA-N 389.879 4.966 0 40 GJAB CC[C@@H](CNC(=S)Nc1cc(C(=O)OC)ccc1Cl)Cc1ccccc1 225632150 DONBYVNTOQGYBO-CQSZACIVSA-N 390.936 4.682 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)c1 225863171 JYPKNEHDQCIRJZ-UHFFFAOYSA-N 382.529 4.928 0 40 GJAB COc1cc(C=O)cc(CSC)c1OC(=O)c1ccc(Cl)cc1Cl 226288831 FECAGJCJQZSMFX-UHFFFAOYSA-N 385.268 4.897 0 40 GJAB CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(C)cc1OC 409106950 QCDVATINVSCFEC-NVNXTCNLSA-N 377.362 4.914 0 40 GJAB O=C(NC1CCCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409409301 HCVIGAVHVSFZEO-JOCHJYFZSA-N 398.528 4.506 0 40 GJAB CCCC(=O)N1CCCC[C@@H]1c1nc(-c2ccc(OCC)c(Cl)c2)no1 516347216 PTPFMPOPPPGPPK-OAHLLOKOSA-N 377.872 4.642 0 40 GJAB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)sc1-c1cccc(Cl)c1 588018076 PBQDQFPUBOSMCO-UHFFFAOYSA-N 398.871 4.960 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)c2c(F)cccc2F)CN1c1ccc(F)cc1 1615119002 GUVMYEGNDIDNQR-JOCHJYFZSA-N 388.433 4.768 0 40 GJAB C=CCc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1O 1151224 KPZHAYCJQLPXEF-PDGQHHTCSA-N 397.521 4.844 0 40 GJAB COc1cc(OC)cc(-c2cc3nc(C)c(C)c(N4C[C@H](C)C[C@@H](C)C4)n3n2)c1 1340868 OKTBNPCULPRGGP-HUUCEWRRSA-N 394.519 4.513 0 40 GJAB COc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 1415868 KRQLPPFUHVHDLT-UHFFFAOYSA-N 382.876 4.907 0 40 GJAB O=C1[C@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=S)N1c1ccc(Cl)cc1 1437058 GFBAPUHTSGRVHK-GDBMZVCRSA-N 395.336 4.741 0 40 GJAB O=C(Nc1cccc2c(NC(=O)N3CCCCC3)cccc12)N1CCCCC1 1589628 QJQAUPMZXOOJQV-UHFFFAOYSA-N 380.492 4.875 0 40 GJAB CCSc1nc(NC[C@H]2CCCO2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2410988 MXLBJTPQFOXVDV-BLVKFPJESA-N 393.578 4.636 0 40 GJAB COCCNc1nc(-c2cc(C)n(CCc3ccc(OC)cc3)c2C)cs1 2645419 RZRPPPRBJOJFMQ-UHFFFAOYSA-N 385.533 4.538 0 40 GJAB O=C(Nc1ccccc1)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 2725430 FVVCYFPQXBFJOS-UHFFFAOYSA-N 393.148 4.802 0 40 GJAB CCOc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)cc1 2806333 YXCYWYMXASBJSW-UHFFFAOYSA-N 386.411 4.515 0 40 GJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1ccco1 3278749 KINOGTVZCBHINV-JLHYYAGUSA-N 387.414 4.601 0 40 GJAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 3367887 LSMVXTZAVSTJLC-MRXNPFEDSA-N 394.544 4.940 0 40 GJAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)cc1 3498845 RFLQBIWAWPHYCL-HNNXBMFYSA-N 380.517 4.632 0 40 GJAB C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]21CCC(=O)O1 3882029 QZDICFWNRZAVJB-HBVKEFHRSA-N 386.532 4.768 0 40 GJAB biogenic COc1ccc(C(=O)NCC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 4044839 OVEJXWIQAFPTFM-IRLDBZIGSA-N 381.516 4.804 0 40 GJAB biogenic COc1ccc2nc(SCC(=O)c3ccc(NC(=O)CC(C)C)cc3)[nH]c2c1 4252383 XGYHBXIAJPRRTQ-UHFFFAOYSA-N 397.500 4.531 0 40 GJAB Cc1ccc(N2C(=O)[C@@H]3CS[C@H](c4ccc(C(F)(F)F)cc4)N3C2=O)cc1 4698493 QPFVHNLSKYARRB-DOTOQJQBSA-N 392.402 4.597 0 40 GJAB O=C(CCN1CCCCCC1)c1ccc(C(=O)CCN2CCCCCC2)cc1 4844095 ZBAWPXJEJJOENA-UHFFFAOYSA-N 384.564 4.584 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1cccc(Cl)c1Cl 5021196 HUQHVZIMFUSBKI-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCc4cccnc4)c23)CO1 5160535 ARTUCHMQHBSPTR-IBGZPJMESA-N 386.546 4.662 0 40 GJAB COc1ccc(CCC(=O)Oc2ccc(C3SCCS3)cc2OC)cc1 5244599 LQNLTBGFWXLARI-UHFFFAOYSA-N 390.526 4.721 0 40 GJAB Cc1nc(S[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c2c(C)c(C)sc2n1 5429078 KCGXOGYVOQPYAQ-VZJVUDMVSA-N 377.579 4.792 0 40 GJAB Cc1cc(C(=O)COC(=O)c2csc3c2CCCC3)c(C)n1Cc1ccco1 5938420 DJHINDCOMIIRSD-UHFFFAOYSA-N 397.496 4.726 0 40 GJAB CC(C)c1ccc(CSc2nnc(S[C@@H](C)C(=O)NC3CC3)s2)cc1 6000060 HAZVBZOTBUPTPA-LBPRGKRZSA-N 393.603 4.713 0 40 GJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c1 6000389 YCEHUBNJOBHABG-UHFFFAOYSA-N 395.406 4.711 0 40 GJAB CCc1nnc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)s1 6125623 YRHZETNYMDIXGE-UHFFFAOYSA-N 383.260 4.623 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)COc1ccccc1C(=O)Nc1ccccc1 6460970 PCCJCIXODGJUGR-UHFFFAOYSA-N 384.435 4.990 0 40 GJAB COc1ccc(-c2noc(COc3cc(Cl)ccc3Cl)n2)c(OC)c1 6551693 FKGVLXRWZMOSHG-UHFFFAOYSA-N 381.215 4.640 0 40 GJAB O[C@H](CNCCC12CC3CC(CC(C3)C1)C2)COc1ccc(Cl)cc1Cl 6638121 TVFIWRKREYOCDA-DIKOGFFKSA-N 398.374 4.929 0 40 GJAB COc1ccc(C(=O)CN(C2=NCCCC2)c2ccc(Cl)cc2)cc1OC 7276021 NLUUNIAEDZEJAY-UHFFFAOYSA-N 386.879 4.629 0 40 GJAB Cc1ccc(Cn2c(CNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1 7546046 KRYLKIMZSCRYDV-UHFFFAOYSA-N 389.886 4.976 0 40 GJAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nc(-c3ccccc3)cs2)c1C 7987256 DJWAEBLCPRTAGV-UHFFFAOYSA-N 386.498 4.517 0 40 GJAB O=C(NC1CC1)[C@H](Oc1ccc(Cl)cc1Br)c1ccc(F)cc1 12475556 WHTODDQOIXTFJY-MRXNPFEDSA-N 398.659 4.640 0 40 GJAB CSc1ncccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 12754865 JPRAVNCYSFZUSE-HNNXBMFYSA-N 391.496 4.547 0 40 GJAB C[S@@](=O)c1ccccc1C(=O)OCc1csc(-c2ccc(Cl)cc2)n1 12857064 HGIRZWHIUNJUDN-VWLOTQADSA-N 391.901 4.558 0 40 GJAB C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)c1nc(C(C)(C)C)no1 12872316 GFAQYOIYTCDTCP-JTQLQIEISA-N 393.513 4.823 0 40 GJAB CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cccc(O)c3)C[C@@H]21 13036481 UYNIDVCEECNRFJ-PGRDOPGGSA-N 376.412 4.626 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708674 WAAFUPPKUBFEBE-QGZVFWFLSA-N 390.483 4.728 0 40 GJAB CCOc1cc(Cl)c(S(=O)(=O)N(CC)Cc2ccccc2)cc1Cl 16780584 QUHSUTRGNZRDIC-UHFFFAOYSA-N 388.316 4.603 0 40 GJAB Cc1csc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)c1 19124569 YNPCSVNVDCEUFL-IBGZPJMESA-N 392.528 4.893 0 40 GJAB COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1-c1ccc(CO)o1 20137704 NGDUCNRLMFIJFJ-UHFFFAOYSA-N 379.456 4.997 0 40 GJAB O=C1c2ccccc2-c2nc(N3CCCCC3)nc(-c3ccc(Cl)cc3)c21 20798102 GCEWVDZGMRANJM-UHFFFAOYSA-N 375.859 4.999 0 40 GJAB Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 21596705 MGJIWWRATPOMGU-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(C)n1 23792486 DLJCZRYTLIIGGS-SNVBAGLBSA-N 398.359 4.932 0 40 GJAB Cc1cc([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)c(C)s1 40080942 NFCNHIQMJYBXNL-GJZGRUSLSA-N 386.561 4.658 0 40 GJAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)N[C@H]1CCOc2ccccc21 61139652 FAEVACJRVNYNSS-SFHVURJKSA-N 382.847 4.923 0 40 GJAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN([C@@H]1CCCc2ccccc21)C3 61997634 ZLCWWBDENHTLHN-OAQYLSRUSA-N 375.468 4.948 0 40 GJAB biogenic CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1C 63181237 OMXWOXYAVPWAGV-UHFFFAOYSA-N 388.533 4.733 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(F)c2)nc1 67296535 QYFNULKZGFXEFS-ROMGYVFFSA-N 391.377 4.899 0 40 GJAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(Cl)cc1Cl 72228896 JRVSMYOGLFHXGB-UHFFFAOYSA-N 375.259 4.697 0 40 GJAB Cc1nc(NCCCc2ccc(F)cc2)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 72373204 OTKXVVFHMPLMFJ-HNNXBMFYSA-N 395.526 4.894 0 40 GJAB Cc1ccc([C@H](OC[C@H](O)CN[C@H](C)c2ccccc2)c2ccccc2)cc1 102283320 UTLMVRAUAPUKKC-NIJXNBFTSA-N 375.512 4.813 0 40 GJAB C[C@@H](NC(=O)c1ccccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 102320667 VNMBCNYYGSCKPZ-UMGGQSCQSA-N 376.500 4.942 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1[C@@H]1CCCN(Cc2ccccc2)C1 106159619 GWAUMLQKPZBCMR-IFMALSPDSA-N 382.935 4.857 0 40 GJAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)c3ccccc3)n2C)c1 107604240 OSXOVZXMFMQPEI-UHFFFAOYSA-N 395.528 4.801 0 40 GJAB COc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 216307009 BKWXWBRIAGOBLF-UHFFFAOYSA-N 389.860 4.942 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(-n2ccnc2C)cc1 216428433 WMTIGCFJCCTHTA-QHCPKHFHSA-N 399.494 4.808 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(C)cc1C 222969522 QLLZNBNLFWGTAW-NRFANRHFSA-N 383.532 4.999 0 40 GJAB Cc1ccc(CN2CCC(C(=O)NCCOc3ccccc3C(C)C)CC2)cc1 223793278 FAEBMKZEIOEWSP-UHFFFAOYSA-N 394.559 4.526 0 40 GJAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C 224161662 ZTJNAFSVRMTLJZ-RTWAWAEBSA-N 376.529 4.697 0 40 GJAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NC1CCCCCC1 224353440 YIUMGMFCSAWTPX-HKWRFOASSA-N 382.529 4.666 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1ccc(OC)cc1 224596876 KWNPKLYTTPQAMV-UHFFFAOYSA-N 377.440 4.925 0 40 GJAB CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccccc3C)CC2)c1 224651460 JFPYJKKNCDDWQZ-UHFFFAOYSA-N 378.560 4.648 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 225529755 VHBOKAHFACJLIS-NFBKMPQASA-N 394.559 4.650 0 40 GJAB S=C(NCc1nc(-c2ccccc2)no1)Nc1ccc(OC2CCCC2)cc1 225813945 DXFYMVWVUBJAIF-UHFFFAOYSA-N 394.500 4.545 0 40 GJAB CCCCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C 225873892 SWHLNQKFELZQEI-UHFFFAOYSA-N 382.504 4.564 0 40 GJAB CCN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)c(Br)c1C 231424997 WDLLJMVDZRBGHR-UHFFFAOYSA-N 388.371 4.718 0 40 GJAB Cc1ccc(-c2cc(-c3ccc(F)cc3)n(CC(C)C)n2)c(OCC(=O)O)c1 257260448 LCWIMBNORXEQIR-UHFFFAOYSA-N 382.435 4.784 0 40 GJAB Cn1ncc(C2CCC2)c1C(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 615167339 GRXIEUAVIVYAOD-UHFFFAOYSA-N 384.842 4.794 0 40 GJAB CCc1cccc2c(C3CCN(C(=O)c4cnc5cnccc5c4)CC3)c[nH]c12 684952586 ZKUNRLMVRPFEFG-UHFFFAOYSA-N 384.483 4.693 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccccc4F)n3c2c1C 903175 QSGDSIIHPCGERJ-UHFFFAOYSA-N 394.475 4.678 0 40 GJAB CCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2ccc(OC)c(OC)c2)s1 1356553 BZUFUVHTNNXSEJ-UHFFFAOYSA-N 397.500 4.588 0 40 GJAB CC[C@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C)cc1)CC2=O)c1ccccc1 2408090 MCEFSJVOEVDHJN-UXHICEINSA-N 399.494 4.830 0 40 GJAB Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)cc1 2419582 QAWKUYUDMPCBRB-JOCHJYFZSA-N 381.431 4.847 0 40 GJAB COc1cccc(-c2nnc(S[C@@H]3CCCCC3=O)n2-c2ccc(C)cc2)c1 2638714 SVIHTOJABZRNRW-HXUWFJFHSA-N 393.512 4.855 0 40 GJAB CCCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 2738837 MHUDUEGGINDYGC-CYBMUJFWSA-N 387.501 4.701 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H](C)Cc3cccs3)cc12 3231034 NZAKECPFVXZXJS-GFCCVEGCSA-N 399.516 4.957 0 40 GJAB CCC(=O)N(Cc1ccccc1Cl)Cc1cc2cc(C)c(C)cc2[nH]c1=O 4231063 HZYNZMNOYIFJRS-UHFFFAOYSA-N 382.891 4.737 0 40 GJAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C)c3)c3ccccn23)cc1 4585210 CHVLLMDQWOQUJD-UHFFFAOYSA-N 383.451 4.622 0 40 GJAB CCN(CC)c1ccc(NC(=O)CSc2ncnc3sc(C)cc23)cc1 4934777 ASZNOJNHSGZHFW-UHFFFAOYSA-N 386.546 4.577 0 40 GJAB CC(=O)CCSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 5231028 CRLDUOLPZFCURV-UHFFFAOYSA-N 381.501 4.534 0 40 GJAB Cc1ccccc1-c1noc(COc2ccccc2C(=O)NCc2ccccc2)n1 5404594 BIXWDQARXQFJTJ-UHFFFAOYSA-N 399.450 4.554 0 40 GJAB COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N1CCCC1=O 5440363 CHZSUOCIEPOIPE-UHFFFAOYSA-N 386.451 4.741 0 40 GJAB CC[C@H](C)CCCNc1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)s1 5504972 GYPJYMHDVRVNNV-YHUYYLMFSA-N 398.642 4.809 0 40 GJAB CCCCOc1cccc(C(=O)Nc2ccc(OC)c(Br)c2)c1 6264468 DNWGJLGBVHCZLQ-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB CC(=O)Nc1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 6821306 POENRPFLYNRLDU-UHFFFAOYSA-N 383.300 4.824 0 40 GJAB CC(C)(CO)NCc1cc(Br)ccc1OCc1ccccc1Cl 6883131 NXZYRGDGXQFKLP-UHFFFAOYSA-N 398.728 4.542 0 40 GJAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 7060785 WQPYZTUIJLHLOW-HXUWFJFHSA-N 378.859 4.840 0 40 GJAB COc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1OC(F)F 7748059 HNAMDMBEZQBQFZ-XYOKQWHBSA-N 391.395 4.922 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ccccc2Cl)CC1 7781153 RWDRELSTKYSOHC-UHFFFAOYSA-N 377.315 4.583 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7882491 VHMXCBJPQOAMAK-MRXNPFEDSA-N 378.859 4.793 0 40 GJAB CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7981005 HDBNBLBNJDAISE-QGZVFWFLSA-N 384.907 4.954 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 8497076 KXPUPEZWOQEPMO-FQEVSTJZSA-N 398.478 4.684 0 40 GJAB Cc1cccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)c1 8690317 WBWVGGCUSNNYOF-YQQQUEKLSA-N 385.602 4.929 0 40 GJAB Cc1occc1-c1nnc(SCc2csc(Nc3ccccc3)n2)n1C 8707316 OVRGMPQWIAHEBT-UHFFFAOYSA-N 383.502 4.876 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1sccc1C)C[C@@H]1CCCO1 8869412 RRHOAAGWZULRNP-KRWDZBQOSA-N 393.936 4.605 0 40 GJAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 9220609 OOERMFHXAHSUAT-LJQANCHMSA-N 375.497 4.923 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3C)ccc2C)cc1 10314473 YDLYHXHNZHGSKT-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CC(C)n1ncc2c(C(=O)N3CCCc4ccccc43)cc(-c3ccco3)nc21 10506578 YXZIUBZJXDUVNC-UHFFFAOYSA-N 386.455 4.865 0 40 GJAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccc(F)cc1 10964706 OVSNUMXSBBNBRU-UHFFFAOYSA-N 392.308 4.942 0 40 GJAB CCOc1ccc(-c2c(NCCOC)oc3c2c(=O)oc2ccc(C)cc23)cc1 11614568 BZPRAWKNKCXUJP-UHFFFAOYSA-N 393.439 4.972 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2Br)cc1 12760670 XALMUXQLCQIAGN-QHSLDKKCSA-N 386.289 4.835 0 40 GJAB COc1ccc([C@@H](NCc2nnc(-c3cc(C)oc3C)o2)c2ccccc2)cc1 12781138 SEYDEZSYOJPJSF-QFIPXVFZSA-N 389.455 4.834 0 40 GJAB COc1ccc(NC(=O)CSc2ccc(Br)cc2C)cc1OC 12816447 AYVVBTIDHURKRR-UHFFFAOYSA-N 396.306 4.506 0 40 GJAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4)c(C)s3)ccc21 12979329 AEAUKAVESKGAOT-UHFFFAOYSA-N 397.891 4.789 0 40 GJAB CC(=O)Nc1cccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 13683998 KIPNIQGGMVGXPL-UHFFFAOYSA-N 385.876 4.603 0 40 GJAB COc1ccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cc1OC 14201697 SJGYFRMNTBZISM-UHFFFAOYSA-N 380.469 4.621 0 40 GJAB C[C@H]1CCc2c(sc3ncnc(Sc4nc(-c5ccccc5)n[nH]4)c23)C1 14252941 YTQLOUPYBKGXOF-NSHDSACASA-N 379.514 4.752 0 40 GJAB COc1ccc(-c2nc(CC(=O)Nc3cccc4cccnc34)cs2)cc1 16963104 BTNUPMZAMPEEAK-UHFFFAOYSA-N 375.453 4.548 0 40 GJAB Fc1ccc([C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2cccc(F)c2)cc1 19293771 MGCRSPYOIKJTIS-XZOQPEGZSA-N 380.438 4.545 0 40 GJAB CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(CC)cc4)cc3)nn12 20609718 VIXBIWYTEKKYPM-UHFFFAOYSA-N 391.500 4.620 0 40 GJAB CCCCCNC(=O)N(C)Cc1c(C)nn(Cc2ccccc2Cl)c1C 25060557 IIEXOFIBTLFSCP-UHFFFAOYSA-N 376.932 4.533 0 40 GJAB COc1ccc(OC)c(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 25804202 NCVWBZOBUNSDSZ-UHFFFAOYSA-N 394.298 4.744 0 40 GJAB Cc1ccc(-c2noc(CN3CCC(C(=O)c4ccc(C)cc4C)CC3)n2)cc1 26641336 TXRVFKDSMFQDKM-UHFFFAOYSA-N 389.499 4.757 0 40 GJAB COc1ccc(CN(C(=O)c2ccccc2Br)c2ccccn2)cc1 27662332 FNWZIQFWLJLPRP-UHFFFAOYSA-N 397.272 4.700 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c(C)c1 28236087 SGYQJFUTIUPZCY-DGCLKSJQSA-N 387.833 4.919 0 40 GJAB O=S(=O)(Nc1ccc(OC2CCCC2)cc1)c1ccccc1Br 28260563 DKOUMUBUAARCPV-UHFFFAOYSA-N 396.306 4.571 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2ccsc2)c1[C@@H]1C(=O)Nc2ccc(Cl)cc21 32069711 BBWAYANPMTWXKS-OAHLLOKOSA-N 386.860 4.576 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 32239161 WUOREGTZUXJPHT-KRWDZBQOSA-N 392.952 4.512 0 40 GJAB Cc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 33563325 MVPOIUBJUXSZCB-QFIPXVFZSA-N 392.480 4.615 0 40 GJAB O=C(O[C@@H](C(=O)NC1CCCCC1)c1ccc2ncccc2c1)c1cccs1 35311515 OYLVJJLGZOZMMK-HXUWFJFHSA-N 394.496 4.643 0 40 GJAB COc1ccc(-c2nc(COC(=O)c3ccc4[nH]c(C)c(C)c4c3)co2)cc1 48234982 KQTVYXQTFMAQSN-UHFFFAOYSA-N 376.412 4.805 0 40 GJAB Cc1cccc(C)c1OCCC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 48287973 NOFLTKLMZWFYAE-UHFFFAOYSA-N 391.515 4.533 0 40 GJAB Cc1ccccc1-n1nc(-c2nc(-c3cccc(F)c3)no2)c2ccccc2c1=O 64950183 PFNWKDZHYFJUPH-UHFFFAOYSA-N 398.397 4.550 0 40 GJAB CCOc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)/C(=C/c3cnn(C)c3)C[C@H]12 71782827 BXJRUGUVBIWBJI-UKTMEEMBSA-N 392.543 4.729 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72349829 GYMPLKJMBVDPMA-MRXNPFEDSA-N 381.476 4.672 0 40 GJAB Cc1cccc(Nc2cncc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n2)n1 72376335 FGTQBKBKOWHJQV-QFIPXVFZSA-N 396.498 4.809 0 40 GJAB CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1ccccc1CN(CC)C(C)=O 79104981 NDRAAOCYFGPPJI-JOCHJYFZSA-N 395.547 4.930 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 95482354 BXXIUAFUTJHFQS-KRWDZBQOSA-N 399.878 4.514 0 40 GJAB C[S@@](=O)c1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 95951422 GWZHKYLLGJRISZ-MHZLTWQESA-N 392.505 4.953 0 40 GJAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)c1 216034494 YGULKNGFVMDQEV-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219359160 QZMIHVUHJZEUJU-UXHICEINSA-N 383.488 4.580 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)NCCSCc1c(Cl)cccc1Cl 219482253 KFPAMYSTSTXTPU-ZDUSSCGKSA-N 384.328 4.810 0 40 GJAB Cc1cc(C)cc(CSCC(=O)Nc2nnc(SCC(C)C)s2)c1 223076242 XVYSQEIZTWXSKC-UHFFFAOYSA-N 381.592 4.775 0 40 GJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)c1 224225779 DMLBDQWFFMLCHW-RTWAWAEBSA-N 376.529 4.950 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 224543703 SGULAJNPRPJYET-QGZVFWFLSA-N 397.500 4.627 0 40 GJAB Cc1cccc(CSCCNC(=S)Nc2ccc(Br)cc2)c1 225336620 BWPJYMOBLUPQQJ-UHFFFAOYSA-N 395.391 4.977 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)COc2cccc(C(F)(F)F)c2)c1 225813344 BGDRHNWTHNBWMY-UHFFFAOYSA-N 395.421 4.620 0 40 GJAB Cc1nc2ccccn2c1-c1nnc2sc(/C=C/c3ccccc3Cl)nn12 227143651 SNSAKZJGXUGSBB-MDZDMXLPSA-N 392.875 4.633 0 40 GJAB Cc1ccc2c(c1)OC1(CCN(Cc3scnc3C)CC1)[C@H]1CCCO[C@H]21 257328025 XDUVUSGUIOKMNT-GHTZIAJQSA-N 384.545 4.655 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)OC)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 408626111 ZWIKECLFGIFQCD-BQEVRZRTSA-N 391.467 4.556 0 40 GJAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2c1[C@@H](c1cccs1)CC(=O)N2 409130054 NARCURDPYLDROR-LLVKDONJSA-N 388.901 4.750 0 40 GJAB COc1ccc([C@H](Cc2cccnc2)NCc2cc(Cl)cc3c2OCC3)cc1 585083714 XRETWFNVVUKBKO-QFIPXVFZSA-N 394.902 4.752 0 40 GJAB CC(C)(C)OC(=O)N1[C](c2nc3cc(Br)ccc3[nH]2)[C@H]2CC[C@@H]1C2 1560407695 TZLOONDKKBDLHG-CMPLNLGQSA-N 391.289 4.625 0 40 GJAB Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1)N1NC=NC1=N2 2262569 YMQXEQVZSOELPN-GOTSBHOMSA-N 396.425 4.630 0 40 GJAB CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1Cl 3176614 ACLWBEWVFYECLS-IBGZPJMESA-N 379.843 4.751 0 40 GJAB O=C(COc1ccc(Br)cc1Br)c1ccc(F)cc1 3515756 JYVPLMZMQGCMME-UHFFFAOYSA-N 388.030 4.612 0 40 GJAB Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc(F)cc2F)n1 4167452 FSZUBFHCKRELPF-UHFFFAOYSA-N 377.441 4.523 0 40 GJAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3C2)cc1 4777144 IKWWYWAQMYAQTI-HLIPFELVSA-N 377.532 4.995 0 40 GJAB Cc1cc2oc(=O)cc(COC(=O)CCC(=O)c3cccs3)c2cc1C(C)C 5078694 RQRCFCADSXYAHS-UHFFFAOYSA-N 398.480 4.993 0 40 GJAB CCCC(=O)Nc1ccc(C(=O)COC(=O)c2cccc3ccccc23)cc1 5215922 NGCJCEYVECCRLA-UHFFFAOYSA-N 375.424 4.618 0 40 GJAB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)NC3CCCC3)c3ccccc32)c1 6967319 AQYDHDYBGRZCLV-ZHZULCJRSA-N 383.495 4.964 0 40 GJAB CC(=O)N[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 7306528 QGUXIHOJALOGSA-MRXNPFEDSA-N 384.785 4.565 0 40 GJAB CC(C)CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2C)cc1 8807926 SHEQRVDZKYQIRM-UHFFFAOYSA-N 381.501 4.533 0 40 GJAB CCOc1cccc2cc(-c3nnc(NC(=O)c4ccccc4SC)o3)oc12 9168738 PVOIJRNALSYQOA-UHFFFAOYSA-N 395.440 4.856 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CCc3nc(-c4ccccc4)no3)c2)cs1 9549460 LTLWVYFUSFQQBF-UHFFFAOYSA-N 390.468 4.740 0 40 GJAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(C)C 9664000 YKZGUVAMHOOMHK-UHFFFAOYSA-N 394.544 4.743 0 40 GJAB CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cccs3)C[C@H]21 10216149 MIFOYGKZZZWSPE-UTKZUKDTSA-N 377.469 4.784 0 40 GJAB Cc1cc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)ccc1C(C)C 12577558 XUIYITNMFBUAFA-NRFANRHFSA-N 377.488 4.737 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1Cl 12737950 FKRGHTLJZQSKKJ-UHFFFAOYSA-N 379.847 4.921 0 40 GJAB O=C(c1ccc(F)cc1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 12760911 ZMMFEHBFQXDSJN-QPJJXVBHSA-N 389.426 4.957 0 40 GJAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3ccc(C)cc3)[nH]c2=S)cc1 12812444 QEUSMZXUBISLPZ-IBGZPJMESA-N 380.517 4.719 0 40 GJAB O=C(c1ccccc1)C1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 12920684 XOJXLYPYSMZHIR-DEOSSOPVSA-N 398.506 4.961 0 40 GJAB O=C(Nc1ccc(SC(F)F)cc1)c1ccccc1OC[C@@H]1CCCO1 12933154 VLOHWVMGUNRRPY-AWEZNQCLSA-N 379.428 4.811 0 40 GJAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 14401547 IZBSUWJHSVEOSJ-UHFFFAOYSA-N 394.515 4.809 0 40 GJAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2s1 17081304 DORYULZWPPEVIK-UHFFFAOYSA-N 397.500 4.669 0 40 GJAB C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1cccc(Cl)c1 17908570 XKNRPQSNARMMLA-ZDUSSCGKSA-N 396.903 4.691 0 40 GJAB O=C(C1CCC1)N1CCC[C@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 19294196 ANGDWSMQINFHOB-HNNXBMFYSA-N 398.507 4.785 0 40 GJAB Cc1nc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n(C[C@@H]2CCCO2)c1C 21569317 YJOWYRVKZXUJQK-CVEARBPZSA-N 383.517 4.524 0 40 GJAB O=C(COc1ccc(F)cc1Cl)Nc1ccc(Br)cc1Cl 22066729 AIRUNFOZIGUYIW-UHFFFAOYSA-N 393.039 4.913 0 40 GJAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC[C@@H](c3ccco3)N(C)C)c2c1 23078626 YDGUHWFTEOWKLP-QHCPKHFHSA-N 399.494 4.836 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(F)cc3)n2)cc1 23392680 FVOKARXWTCQIQX-HNNXBMFYSA-N 381.451 4.809 0 40 GJAB CC(C)Cc1noc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)n1 24988574 BYYWOZFGTOQFBC-UHFFFAOYSA-N 394.504 4.635 0 40 GJAB CCCOc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1 27741585 UYOJPGPIQJVSIZ-FQEVSTJZSA-N 386.561 4.884 0 40 GJAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 28220981 APRXISMYGKPMGE-UXHICEINSA-N 379.891 4.944 0 40 GJAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cccc(C(F)(F)F)c1 28303762 BJWVCKVFUXBPGU-UHFFFAOYSA-N 379.769 4.856 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Nc2ncccn2)c1 32342636 IMGQEIJHIGKGSV-AWEZNQCLSA-N 389.484 4.663 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 33748072 KKEJSKCORBNZST-UHFFFAOYSA-N 394.858 4.531 0 40 GJAB Cc1ccc(N(Cc2ccco2)C(=O)CCc2nnc(-c3ccsc3)o2)cc1 40051012 YMVLKXZQTQNEHW-UHFFFAOYSA-N 393.468 4.866 0 40 GJAB Cc1nn(CCc2ccccc2)c(C)c1NC(=O)c1cc2sccc2n1C 40786263 DUHRQKCKPPIUSP-UHFFFAOYSA-N 378.501 4.548 0 40 GJAB Cc1cc(NC(=O)CNc2ccccc2Oc2ncc(Cl)cc2Cl)no1 42740971 WIUAEUMHHBOTDR-UHFFFAOYSA-N 393.230 4.528 0 40 GJAB CC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)cc1C 44856685 RXFMSNFIFSEEHE-QHCPKHFHSA-N 382.523 4.922 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccccc2C)cc1OCC 44884942 KSTJYAFNVKQMRO-HKUYNNGSSA-N 385.504 4.827 0 40 GJAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)c1 57313386 AJJRNUSQIJWCDR-OAHLLOKOSA-N 393.512 4.847 0 40 GJAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)CCSc1ccc(C)c(C)c1 58178336 PKNVVVWRUBYZPZ-UHFFFAOYSA-N 378.444 4.661 0 40 GJAB COc1cc(C(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)cc2occc12 72244410 DPFAAZVWNPISQM-GOSISDBHSA-N 386.879 4.518 0 40 GJAB Cc1sc2nc(-c3ccccn3)nc(N(C)C[C@@H](C)O)c2c1-c1ccccc1 78702696 TZPRUJRCYLVLEQ-CQSZACIVSA-N 390.512 4.546 0 40 GJAB CN(C)C(=O)Sc1cccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 79053323 WARHZIAFRUAFCI-IBGZPJMESA-N 390.936 4.687 0 40 GJAB O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1cccc(Cl)c1)SCC(O)=N2 95478204 UOLZRPZIBPEWDO-INIZCTEOSA-N 377.897 4.759 0 40 GJAB CO[C@](C)(CNC(=O)C1(c2cccs2)CCCC1)c1cccc(Cl)c1 96392592 GJCWANHXMABOIM-LJQANCHMSA-N 377.937 4.891 0 40 GJAB Fc1ccc([C@H](Cn2cnc3ccccc32)NCc2ccc3cn[nH]c3c2)cc1 105435087 PNEJJVBBMZMEQR-QFIPXVFZSA-N 385.446 4.583 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 216326597 TUNSJBQXGGPNJT-LOULHMMLSA-N 383.488 4.629 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)cc1Cl 222897121 NBKKAKKWWLLLBS-IBGZPJMESA-N 389.879 4.875 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 223158196 DYNMWUNSUPRMOY-SFHVURJKSA-N 381.501 4.872 0 40 GJAB COc1ccc(/C=C(/C(=O)NCCOc2cccc(C)c2)c2ccccc2)cc1 223427467 GFFYKYOVOUEAEB-HKOYGPOVSA-N 387.479 4.739 0 40 GJAB O=C(NCCOCc1ccccc1)c1ccccc1SCc1ccccc1 224093212 MASGASXCRFPZNB-UHFFFAOYSA-N 377.509 4.926 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COCC(C)C 224448459 CEXPCBQEIJGJMC-UHFFFAOYSA-N 392.293 4.883 0 40 GJAB Cc1ccccc1CSCC(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225131550 JYPODQYMITZEBZ-UHFFFAOYSA-N 386.542 4.824 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@@H](C)CCc2ccccc2)ccc1Cl 225515309 NTZVVQXSRZRFJR-AWEZNQCLSA-N 390.936 4.824 0 40 GJAB CCC1(CC)C[C@H](NC(=O)CCc2ccc3c(c2)OCO3)c2ccccc2O1 225699123 MDVVOJCOKFTKTI-SFHVURJKSA-N 381.472 4.547 0 40 GJAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1 225813801 LBEZYQGKYRETBQ-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB O=C(c1ccccn1)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257260393 LCQWQLVFGSOMFI-LJQANCHMSA-N 381.863 4.681 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCC[C@H](C)C3)cc12 328593209 CMYYGKHAGAIHGV-GUYCJALGSA-N 385.508 4.902 0 40 GJAB CCOC(=O)C1=C(C)N=C(SCc2ccc(F)cc2)N[C@H]1c1ccccc1 408985960 BNFTXNVSNAYZDA-IBGZPJMESA-N 384.476 4.597 0 40 GJAB CCOC(=O)CC[C@@H](C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 1127225792 AQOHQGGQSFPNLJ-CQSZACIVSA-N 393.405 4.834 0 40 GJAB Cc1c2ccc(NC(=O)N3CCC[C@H](c4ccc(F)c(F)c4)C3)cc2nn1C 1616042537 BRAALFUQBBWSFG-HNNXBMFYSA-N 384.430 4.571 0 40 GJAB CC(C)(C)OC(=O)Nc1nc2cc(Br)cc(C(F)(F)F)c2o1 1857793123 PUIVMFFKTHGYPJ-UHFFFAOYSA-N 381.148 4.956 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 707632 CQFQPTFAKDMWCC-UHFFFAOYSA-N 380.149 4.910 0 40 GJAB CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cc(C)cc23)cc1 949066 GZTHLNMBFMEJCA-UHFFFAOYSA-N 392.455 4.949 0 40 GJAB COc1ccc(NCN2C(=O)S/C(=C\c3ccc(C)cc3)C2=O)cc1Cl 1013694 JWUVLTBYGIUWBA-MFOYZWKCSA-N 388.876 4.763 0 40 GJAB CCOC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 1016750 XSIPDRICAYVQRE-UHFFFAOYSA-N 396.446 4.947 0 40 GJAB CCC(=O)Oc1ccc([C@@H]2CC(=O)c3c(ccc4ccccc34)N2)cc1OC 1073262 AGYKHIAIMCVHHP-SFHVURJKSA-N 375.424 4.903 0 40 GJAB COc1ccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)cc1OC 1342778 FKBRPCLHEOCRGQ-UHFFFAOYSA-N 393.468 4.610 0 40 GJAB COc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc(OC)c1OC 2310258 KFXDZFRQLCWQFP-UHFFFAOYSA-N 391.467 4.555 0 40 GJAB Cc1c(C(=O)OCCOc2ccc(Br)cc2)oc2ccccc12 2634872 CLVOWUXJJZGWIZ-UHFFFAOYSA-N 375.218 4.740 0 40 GJAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1cc(Cl)ccc1Cl 2644679 PMOZBTIEAXRDIP-SECBINFHSA-N 395.267 4.787 0 40 GJAB CCOc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 3402726 KRIIVNYBPVKUQX-JOCHJYFZSA-N 388.467 4.585 0 40 GJAB CC[C@@H](CO)Nc1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12 3434553 OCSHRTLQNZNXBK-KRWDZBQOSA-N 396.560 4.527 0 40 GJAB O=[S@](CC(O)(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1 4040706 DOMYPULKFPEEIB-SANMLTNESA-N 392.854 4.662 0 40 GJAB O=c1ccc(-c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2CN(Cc2ccccc2)C1 4237519 FYYKJIUHUOCNNT-AZUAARDMSA-N 390.914 4.788 0 40 GJAB biogenic,in-vitro CCCCC(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 4354004 ZWLBMXLCPPABJV-UHFFFAOYSA-N 380.400 4.543 0 40 GJAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 4660026 XVVSKLUELNVPNP-OAHLLOKOSA-N 394.858 4.998 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)cc1 4723341 FGZDUWPSPIPQKR-UHFFFAOYSA-N 386.455 4.634 0 40 GJAB O=C(/C=C/c1ccccc1)n1nc(-c2ccco2)nc1NCc1cccs1 4783728 KINHDDBVEOLZBK-ZHACJKMWSA-N 376.441 4.565 0 40 GJAB CCOc1ccc2nc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)sc2c1 5445624 WFCUQECTMRFGFI-VNHYZAJKSA-N 378.563 4.728 0 40 GJAB COC(=O)c1ccc([C@H]2C3=C(N=C4N=NNN42)[C@H](C2CCCCC2)CCC3)cc1 5867957 UNSZUPWZLXBDQR-PXNSSMCTSA-N 393.491 4.706 0 40 GJAB CCOc1ccc(OCC(=O)Nc2nc(-c3ccc(CC)cc3)cs2)cc1 6220602 XYCYSMKRSQNSQO-UHFFFAOYSA-N 382.485 4.789 0 40 GJAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 6362074 QZYBGEZEEJXHHP-UHFFFAOYSA-N 388.316 4.928 0 40 GJAB O=C(COCc1cc(-c2cccs2)on1)Nc1ccc(Cl)c(Cl)c1 6876562 QCIQZWRJOMFOAL-UHFFFAOYSA-N 383.256 4.865 0 40 GJAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)N(C1=CCCCC1)C1CC1 7170266 FIMMMEOWGMNFDU-UHFFFAOYSA-N 389.908 4.931 0 40 GJAB COc1cccc(-n2c(SCc3cccc(F)c3)nc3ccccc3c2=O)c1 7802604 WRUAVCDAYGLVOL-UHFFFAOYSA-N 392.455 4.826 0 40 GJAB CSCc1cccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 8303313 GBRHMRHBQLMNLY-UHFFFAOYSA-N 397.327 4.567 0 40 GJAB O=C(CSc1ccc2c(c1)OCCO2)N[C@@H](c1ccccc1)c1cccs1 8327549 VLBWSXDNWDPQMX-NRFANRHFSA-N 397.521 4.517 0 40 GJAB Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 8395741 MYLXFIGELHXCRK-UHFFFAOYSA-N 378.394 4.632 0 40 GJAB Cc1nc(SCC(=O)N2CC[C@H]3CCCC[C@H]3C2)c2c(C)c(C)sc2n1 8560418 ZWLJAPQIMIACMF-CVEARBPZSA-N 389.590 4.747 0 40 GJAB NC(=O)N[C@H](CC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1Cl 9335553 UIKRGADUMVBPKC-HXUWFJFHSA-N 393.874 4.745 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 9827833 QTEDTQDDZCPEDA-UHFFFAOYSA-N 388.423 4.625 0 40 GJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCC(C)C)cc1Cl 10119256 RDXKIPQIAFYLIU-UHFFFAOYSA-N 398.890 4.613 0 40 GJAB C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1cccc2ccccc12 12782967 QZLLALGWMDJYLB-LAUBAEHRSA-N 375.468 4.889 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3cccc(Br)c3)cc2)cs1 12805540 SGSGVQAKYBVBJH-UHFFFAOYSA-N 387.302 4.811 0 40 GJAB CN(CCOc1ccccc1Cl)Cc1nnc(-c2ccccc2Cl)o1 12855391 BBGNVSJKWAPBQJ-UHFFFAOYSA-N 378.259 4.554 0 40 GJAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(C)cc1 14082294 XJKJLRXSMDCKPK-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB CCCCc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 15356447 OSRYPPOUASBLQK-UHFFFAOYSA-N 382.548 4.690 0 40 GJAB CCc1ccc(Nc2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)s2)cc1 18129566 HFBJWDVSBOFMJM-OKILXGFUSA-N 390.578 4.726 0 40 GJAB CCN(Cc1ccccc1F)[C@@H]1CCO[C@H](c2ccc(CN(C)C(C)=O)cc2)C1 19712674 LASASRPYXLQOJN-VWNXMTODSA-N 398.522 4.546 0 40 GJAB CCCCn1c(=N)n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19879836 LZDIKMLPJKXVJI-GOSISDBHSA-N 378.303 4.763 0 40 GJAB Cc1ccc(C2=NC3(CCCCC3)N(C(=O)c3cccc(Cl)c3)C2=O)cc1 21147493 MKWUTMNTUOYKEN-UHFFFAOYSA-N 380.875 4.781 0 40 GJAB C[C@H]1c2ccsc2CCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 22242260 KDDCRVRIXXKMCY-NSHDSACASA-N 379.407 4.936 0 40 GJAB O=C(NCC1(c2ccccc2)CCCC1)c1ccccc1OCc1ccncc1 25082789 KWRSEMRBWRZVEV-UHFFFAOYSA-N 386.495 4.902 0 40 GJAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccccc1C(F)(F)F 25453457 CMXGUJUQUJGGHF-UHFFFAOYSA-N 376.422 4.621 0 40 GJAB O=C(CSc1noc(-c2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1 28527442 IMMGYTKBVPGZLB-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1ccccc1OC(F)F 28923904 OPPIRUWQXNXRSZ-IBGZPJMESA-N 384.382 4.672 0 40 GJAB O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1Cc3ccccc3[C@H]21 33780280 LPPJOZNFNZVIEJ-PWRODBHTSA-N 386.407 4.764 0 40 GJAB Cc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 35289196 MFEZQZGVFAWMQQ-SEJPIABJSA-N 379.573 4.867 0 40 GJAB COc1ccc(OC)c(NC(=O)CCSc2ccccc2Br)c1 40106593 JUKOEBZUAFKHMD-UHFFFAOYSA-N 396.306 4.587 0 40 GJAB Cc1nc(-c2ccco2)nc2sc(C(=O)N(C)Cc3ccc(O)cc3)c(C)c12 41677616 PTEWFPKCLAXBQB-UHFFFAOYSA-N 393.468 4.546 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C)cc3nc(N)sc3c2C)c1 45890201 JHABTBVUSQJOLB-UHFFFAOYSA-N 383.517 4.945 0 40 GJAB Cc1nc(C)c([C@H](C)NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)s1 56022811 LPWHWKNAVBDZCR-NSHDSACASA-N 389.521 4.746 0 40 GJAB Cc1nc(NC(=O)c2ccc(OCc3nc(C4CC4)cs3)cc2)sc1C 56907832 GLUIMCTUQFGSDN-UHFFFAOYSA-N 385.514 4.925 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)N[C@H](c1ccccc1)c1ccco1 57978036 GUSQVUKFWLTYOZ-LJQANCHMSA-N 380.494 4.913 0 40 GJAB Cc1c(CCC(=O)N2CCCC2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 62001470 BRILKUNDUMSPQQ-UHFFFAOYSA-N 393.483 4.590 0 40 GJAB biogenic COc1ccc2[nH]cc(C3CCN(CCC(=O)Nc4ccccc4F)CC3)c2c1 64483074 YFTMTXOLJSNQEQ-UHFFFAOYSA-N 395.478 4.524 0 40 GJAB CC[C@@H](C)Nc1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72213461 HFMCMJUZHMBYDZ-XLIONFOSSA-N 387.549 4.516 0 40 GJAB O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccc2nc(C(F)(F)F)[nH]c2c1 96231446 GPTHJXAADYTIMZ-INIZCTEOSA-N 398.388 4.870 0 40 GJAB CCOc1ccccc1NC(=O)NCC1(Sc2ccccc2)CCOCC1 96331366 MCQATACQSFROKP-UHFFFAOYSA-N 386.517 4.548 0 40 GJAB Cc1cccnc1C1(O)[C@@H]2CCC[C@@H]1CN(Cc1ccc(Cl)c(Cl)c1)C2 100149168 CWENTLVNHHEKEY-IAGOWNOFSA-N 391.342 4.817 0 40 GJAB COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@H](c3cccs3)CC(O)=C21 102754478 CCSNQPQREKKEIN-VOJFVSQTSA-N 394.456 4.769 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 103718057 YQMCZRSLJDIQNX-OAHLLOKOSA-N 386.879 4.511 0 40 GJAB CN1CCC[C@H](COC(=O)CCc2ccco2)[C@H]1c1ccc(C(F)(F)F)cc1 107137937 XWSHGVUTEFJWQX-OXQOHEQNSA-N 395.421 4.857 0 40 GJAB 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[C@]12C 118924266 HZUUHCXBSGFHDC-PGFPPNSYSA-N 376.537 4.750 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)CCSCc1ccccc1)CC(C)(C)O2 218999094 CZKHZHIENZNXNX-LJQANCHMSA-N 385.529 4.737 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1Cl 219547797 GHXAUONRIOSUDO-AWEZNQCLSA-N 375.852 4.540 0 40 GJAB Cc1ccc(N2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)cc1 219864894 TXJFEDJFDMWZQL-QFIPXVFZSA-N 392.543 4.938 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C 222809571 XKWHHZBTOIDQLS-VXKWHMMOSA-N 390.556 4.790 0 40 GJAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1 222821318 BRGVGDZUEYQTSW-RTWAWAEBSA-N 376.529 4.562 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 222974509 GZNDALYAUSRWOW-HXUWFJFHSA-N 390.571 4.963 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1C1CCCC1 225030295 QZDGPIKWBNRVPC-RTWAWAEBSA-N 380.561 4.913 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 225579280 SEUZWJDWFHBFPG-REWPJTCUSA-N 394.559 4.568 0 40 GJAB CSc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1 225604364 KIDPGFJCDFCLKU-UHFFFAOYSA-N 391.905 4.745 0 40 GJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 225826893 VSYIKIZHFNMZLU-QFIPXVFZSA-N 393.524 4.966 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)cc1C(=O)OC 225842135 YFVLYMPRPANVTG-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB CCOc1ccc(C2(NC(=S)Nc3ccc4c(c3)OCCO4)CCCC2)cc1 225857777 FXKNHLLSKXDDAV-UHFFFAOYSA-N 398.528 4.612 0 40 GJAB CCCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225908638 BKCNCFLYIDFOHD-OAQYLSRUSA-N 380.529 4.509 0 40 GJAB O=C(O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 226334242 UWFKMMPRTDEXMN-QHHAFSJGSA-N 385.616 4.918 0 40 GJAB CNc1cccc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257267171 MGFGDLFMLYBHNI-JOCHJYFZSA-N 387.483 4.826 0 40 GJAB Cc1cccnc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257305837 SRUIOHFCRVCMLG-IBGZPJMESA-N 395.890 4.990 0 40 GJAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c1 408607757 ODQGCILFPRFNQO-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 408629344 XWOOUEVRGBSQJE-UHFFFAOYSA-N 388.895 4.602 0 40 GJAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)cc1C 408695018 OCMRJQOHXRHYSE-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB O=C(NCC[C@H](CCO)c1cccs1)C1c2ccccc2Oc2ccccc21 575606252 FSQZDAKVVUTUEU-MRXNPFEDSA-N 393.508 4.658 0 40 GJAB Cc1ccc(CN2C(=O)CC[C@]23CCCN(CCc2ccccc2)CC3)cc1 585100192 HJLSLUWUCVUYRC-VWLOTQADSA-N 376.544 4.585 0 40 GJAB COc1cccc(-c2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)c1 632732 YSJYLUYDMKYGIO-UHFFFAOYSA-N 376.363 4.547 0 40 GJAB Cc1cc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)no1 1339881 QOZIOYCHALVEBJ-UHFFFAOYSA-N 389.480 4.853 0 40 GJAB Cc1nc2ccccc2n1C1CCN(C(=O)c2ccc(Br)cc2)CC1 1371015 LGIRLTWOFUBRJU-UHFFFAOYSA-N 398.304 4.585 0 40 GJAB Cc1nc2sc3c(c2c2nc(-c4ccc(Cl)cc4)nn12)CC(C)(C)OC3 2214236 ABSAGGHNVDPYKI-UHFFFAOYSA-N 384.892 4.819 0 40 GJAB CCCCn1c(N)c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc21 2246062 JYYJLAAITBNSBR-UHFFFAOYSA-N 391.519 4.587 0 40 GJAB CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(SCc3cccc(F)c3)N2C1=O 2964552 XCPGOMWJQHEDEH-UGSOOPFHSA-N 381.476 4.764 0 40 GJAB O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1cnccn1 3345033 QGCJRJRERLYXKL-UHFFFAOYSA-N 386.274 4.643 0 40 GJAB CCOc1ccccc1NC(=O)COC(=O)c1sc2ccccc2c1Cl 3452217 NRQXCARLJPAORH-UHFFFAOYSA-N 389.860 4.749 0 40 GJAB CCOc1ccc(-c2cnc(NCc3ccc(SC)cc3)n2CCOC)cc1 4679258 OMMZQXMAUKDDPO-UHFFFAOYSA-N 397.544 4.929 0 40 GJAB CCOc1ccc(-c2cn3c(CC(=O)N4CCCC[C@H]4CC)csc3n2)cc1 5146958 ZPVOHEZKSMZFIZ-QGZVFWFLSA-N 397.544 4.795 0 40 GJAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 6128429 YTZXETAJZHDXSO-CYBMUJFWSA-N 398.919 4.917 0 40 GJAB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)c1 6496328 RSKAUAYSCZTMOP-ZDLGFXPLSA-N 392.388 4.673 0 40 GJAB O=C(c1ccc(Cl)cc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 6788236 JOBYWGSNNMTQFJ-UHFFFAOYSA-N 388.254 4.848 0 40 GJAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)O[C@H](C(=O)NC1CC1)c1ccccc1 7114062 JXRBPBZVCODIBS-SSVWKNEZSA-N 390.266 4.570 0 40 GJAB CCOc1ccc([C@H]2CCCN2Cn2ncn(-c3ccccc3C)c2=S)cc1 7317577 PQWGEMUMHBFNJY-OAQYLSRUSA-N 394.544 4.905 0 40 GJAB Cc1ccc2nc3n(c2c1)CN(Cc1ccccc1)CN3CCc1ccccc1 7496211 KUJUFYRLYJJETB-UHFFFAOYSA-N 382.511 4.825 0 40 GJAB COc1ccc(CN(C)C(=O)c2ccccc2COc2ccccc2)cc1F 7717841 JIIRTAYUFREXSS-UHFFFAOYSA-N 379.431 4.686 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3ccc4c(c3)CCC4)n2)cc1 7784243 XLCZWXOZLYURRM-CQSZACIVSA-N 377.513 4.886 0 40 GJAB COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)ccc2c1 7926669 IFEWBDPHVJXNEI-MRXNPFEDSA-N 390.483 4.510 0 40 GJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(s1)CC[C@H](C)C2 7983276 NNOFHGZRXZVJDM-ZDUSSCGKSA-N 385.489 4.568 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1ccccc1Cl 8041481 JGFHEIISQKPERW-QGZVFWFLSA-N 393.936 4.556 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 8389810 JJVPHUWZCOONPC-UHFFFAOYSA-N 386.492 4.755 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)COc3ccc4ccccc4c3)s2)cc1 8793811 NDISJELXDYEQAB-UHFFFAOYSA-N 375.453 4.684 0 40 GJAB COc1ccc(Nc2nc(Nc3ccccc3)c3nccnc3n2)cc1Cl 9075233 UHHVRKXSDDYBMC-UHFFFAOYSA-N 378.823 4.569 0 40 GJAB COc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCCC3)n2)cc1 10213629 CBFUTIYWCYMISD-UHFFFAOYSA-N 390.491 4.584 0 40 GJAB CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cccs3)C[C@H]21 10216130 VDLZYOORAQNKOJ-UTKZUKDTSA-N 377.469 4.784 0 40 GJAB CCCOc1cc(Nc2ccc(NC(=O)c3ccc(OC)cc3)cc2)nc(C)n1 12225544 FQTGGEOIBGDOFQ-UHFFFAOYSA-N 392.459 4.578 0 40 GJAB Cc1ccc(OCc2nc(C(=O)N3CCSc4ccccc43)cs2)cc1 12973999 DFQSOOVFGFOARQ-UHFFFAOYSA-N 382.510 4.783 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 12995302 DGTVIWHOLXYVEZ-AWEZNQCLSA-N 398.484 4.792 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13685320 PTMPNSFKCZYCDZ-QGZVFWFLSA-N 390.483 4.776 0 40 GJAB Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)cc1 20121052 CUCKJLMFPYEEGR-HSZRJFAPSA-N 387.531 4.634 0 40 GJAB CCCn1nc(NC(=O)COc2cccc(C)c2)c2cc3cc(C)ccc3nc21 21596586 UEOOXUSZMWHZKZ-UHFFFAOYSA-N 388.471 4.629 0 40 GJAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)N(C1=CCCCC1)C1CC1 22216548 FPDPLSMDEABGRG-UHFFFAOYSA-N 397.331 4.577 0 40 GJAB COc1cc(Br)c(CN[C@@H](C)c2ccc(F)cc2F)cc1OC 22787054 VMCYJYPRBJFYFX-JTQLQIEISA-N 386.236 4.595 0 40 GJAB C[C@H](Oc1ccccc1F)C(=O)N(Cc1ccccc1Cl)c1ccccn1 28293725 OKVMSRJFPQZWQR-HNNXBMFYSA-N 384.838 4.875 0 40 GJAB C[C@H](NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccccc1 32578747 AWIVBDMKQRKVRW-KRWDZBQOSA-N 399.450 4.660 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1 32836717 ZPAFMFLDKRKFFX-PJSGTAFOSA-N 391.471 4.903 0 40 GJAB O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1Cc3ccccc3[C@@H]21 33780277 LPPJOZNFNZVIEJ-QHAWAJNXSA-N 386.407 4.764 0 40 GJAB Cc1ccccc1C(=O)Nc1ccccc1NC(=O)Cc1cn(C)c2ccccc12 36709588 ISNQAEUFKNVZTA-UHFFFAOYSA-N 397.478 4.920 0 40 GJAB COc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 39860658 VLGBEWJAXDZFSV-YBEGLDIGSA-N 375.833 4.598 0 40 GJAB C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)c1nc(C(C)(C)C)no1 40057284 SAOUPCLHZCTVFN-JTQLQIEISA-N 394.884 4.836 0 40 GJAB Cc1nc2cc(NC(=O)/C=C/c3ccc(OCc4ccccn4)cc3)ccc2o1 40079751 DZJJQIWRNFYCBZ-KPKJPENVSA-N 385.423 4.762 0 40 GJAB COc1cccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2Cl)c1OC 49550115 IVGIRWGKIZWJGX-HNNXBMFYSA-N 397.862 4.726 0 40 GJAB Cc1cc2cc(CNc3ccc(N4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2cc1C 57712702 PNNFNSRSRLNNLK-MRXNPFEDSA-N 375.516 4.993 0 40 GJAB COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 58983910 IKIGXECOJGUXQF-HNNXBMFYSA-N 381.369 4.700 0 40 GJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc(C)cc1 59351768 WWVQORKYKJCRIC-KSSFIOAISA-N 376.294 4.792 0 40 GJAB CCn1cc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)cn1 71785082 OYOBEWYVPOOXAW-BJWUORFOSA-N 378.516 4.519 0 40 GJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CC[C@H]1CCCCO1 71894036 ANPOSTQCNVUFHM-XMSQKQJNSA-N 394.515 4.808 0 40 GJAB CNc1ncccc1CN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359811 OZSZIHBJNKCKOO-KRWDZBQOSA-N 393.922 4.613 0 40 GJAB CCCN(C(=O)Nc1cc(Cl)ccc1N1CCOCC1)C1CCCCC1 95454875 APLYJVSTDHCMRR-UHFFFAOYSA-N 379.932 4.753 0 40 GJAB CC(C)[C@H](N[C@@H](C)c1ccc(I)cc1)c1ccccn1 95968212 XRGUYVBLPUTUHF-GUYCJALGSA-N 380.273 4.734 0 40 GJAB CCOc1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1OCC 101013860 IUWSFDKGGAQTDK-HNNXBMFYSA-N 390.277 4.525 0 40 GJAB O=C(c1ccccc1Cl)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207013761 BQDISXRMJNDOHI-ZDUSSCGKSA-N 387.892 4.546 0 40 GJAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cnccn1 208011502 BMIUSETZPKWAIU-UHFFFAOYSA-N 376.416 4.659 0 40 GJAB O=C(N1CCS[C@@H](c2cccs2)CC1)C1(c2ccccc2)CCOCC1 219502913 YATWJSPVQQWUKZ-LJQANCHMSA-N 387.570 4.503 0 40 GJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)S1 222624458 ZRHRZJNQTBBKAQ-UAOJZALGSA-N 378.476 4.601 0 40 GJAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 222629358 KCAFIUYASPUFCN-SFHVURJKSA-N 398.572 4.501 0 40 GJAB O=C(CSCc1ccc(Cl)cc1F)NCCSCc1ccccc1 222868887 WRHPFOIXJFCXIW-UHFFFAOYSA-N 383.941 4.762 0 40 GJAB O=C(NCC1=CCCCC1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 224540201 ZIQFQTMZOWTFHH-UHFFFAOYSA-N 381.347 4.822 0 40 GJAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 224858837 BBFFMCCYXCJKFC-IAGOWNOFSA-N 387.917 4.679 0 40 GJAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN(CC)CC)cc2)CCC[C@H](C)C1 225662573 WNNOTGYNUGVOHG-CVDCTZTESA-N 390.568 4.721 0 40 GJAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cc(C(F)(F)F)ccc1Cl 225745335 JKDRHNYKZPPWCK-UHFFFAOYSA-N 394.780 4.621 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 225824859 WUECJXKJUQQGSA-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB CCC[C@H]1CCN(Cc2ccc(NC(C)=O)cc2)C[C@H]1Nc1cccc(F)c1 257236328 HBPXQLIWJGXPSC-WMZHIEFXSA-N 383.511 4.887 0 40 GJAB Cc1cc(C)n(-c2cccc([C@H]3C[C@@H](NC(=O)CC(C)C)[C@@H]4CCC[C@H]4O3)c2)n1 257330983 XQWPZNPKWFCKEC-WBADGQHESA-N 395.547 4.650 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1csc(-c2ccccc2)n1 390830009 ICOLZLLYDDHWGG-MRXNPFEDSA-N 396.493 4.595 0 40 GJAB COc1ccc(Br)cc1C(=O)Nc1nc2c(C)ccc(C)c2s1 408620708 JFUBEQVMIRCJAJ-UHFFFAOYSA-N 391.290 4.937 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C 408678355 FZPKAZXALSSYDQ-GOSISDBHSA-N 394.515 4.772 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccccc3C)n2)cc1 408696223 XXVGUOPSFBOBJL-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB S=C1N2N=C(c3ccccc3)SC2=N[C@@H](c2ccco2)N1c1ccccc1 408720950 BSHWFQKMBNWXEC-QGZVFWFLSA-N 390.493 4.850 0 40 GJAB CCCNC(=O)c1cc(Br)c(OCc2ccccc2)c(OCC)c1 409371302 VUCDTDZANRNACH-UHFFFAOYSA-N 392.293 4.567 0 40 GJAB CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1cnc(C)c1 521219283 WIUVIBKAEGRXAL-UHFFFAOYSA-N 390.698 4.911 0 40 GJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2F)c1 1006591 IJLQEDIZCOBHES-UHFFFAOYSA-N 378.403 4.729 0 40 GJAB COc1ccc(OCCCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 1903920 NIKVLVIZEZSUJY-UHFFFAOYSA-N 382.485 4.925 0 40 GJAB Cc1cc(C)cc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)c1 2255411 CXVLKJCOWQFORS-UHFFFAOYSA-N 388.471 4.586 0 40 GJAB CCCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc21 2372970 UHPDUCVWPKCZPL-UHFFFAOYSA-N 380.473 4.707 0 40 GJAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NCc1ccc(Cl)cc1 2629304 HJUXTGBDQPEYEH-UHFFFAOYSA-N 395.842 4.606 0 40 GJAB COc1ccccc1Cn1cc(C(=O)c2ccc(C)cc2)c(=O)c2ccccc21 2687700 XODWHWRKFGSYAI-UHFFFAOYSA-N 383.447 4.598 0 40 GJAB Cc1ccc(C(=O)N/C(=C\C=C\c2ccccc2)C(=O)NC2CCCCC2)cc1 3056056 GREVXJWOURTWRD-LABNAMAPSA-N 388.511 4.771 0 40 GJAB Cc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2-c2cccnc2)c(C)c1 3430188 PYOMJABACJBFQD-UHFFFAOYSA-N 380.517 4.653 0 40 GJAB CCc1ccc(Nc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)s2)cc1 3461599 HFBJWDVSBOFMJM-ZIAGYGMSSA-N 390.578 4.726 0 40 GJAB c1csc(CNc2nc(CN3CCCCC3)nc3sc4c(c23)CCC4)c1 3503783 GUGBGIZDZCGFDX-UHFFFAOYSA-N 384.574 4.840 0 40 GJAB CCCCCOc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C 4000018 QLKRITATAFOFFV-DACFSCGWSA-N 390.527 4.893 0 40 GJAB biogenic O=C(/C=C\c1ccccc1)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4088769 AAUAYZQJUUVXPI-KTKRTIGZSA-N 381.888 4.924 0 40 GJAB CC[C@H](C)Sc1nc2c(c(=O)n1-c1cccc(C(F)(F)F)c1)SCC2 4358865 KDOKZBJCYLRROP-JTQLQIEISA-N 386.464 4.790 0 40 GJAB O=C1NC(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)S1 4675815 DQDRLEHZTIKDEX-IUXPMGMMSA-N 386.835 4.806 0 40 GJAB CCOc1ccc(-c2cnc(NCc3cccc(Cl)c3)n2CCOC)cc1 4679108 PSYKPURRTYQNBQ-UHFFFAOYSA-N 385.895 4.861 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4815073 GJZNARPKLDPRHB-RTBURBONSA-N 380.879 4.655 0 40 GJAB CCc1ccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccco2)cc1 4857270 VEGHIBJDHRUQOR-IHWFROFDSA-N 383.561 4.714 0 40 GJAB CCOc1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)cc1 4883302 SBOOOUKSUDFDPX-YQQQUEKLSA-N 399.560 4.854 0 40 GJAB Cc1c(C(=O)N2CCc3ccccc3C2)sc2nc(-c3ccc(F)cc3)cn12 4930870 AXGULKWVACORSW-UHFFFAOYSA-N 391.471 4.709 0 40 GJAB COc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccc(F)cc3)=NN2)cc1 6973400 JANDKWBFLTZNEN-UHFFFAOYSA-N 379.822 4.922 0 40 GJAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 8494468 VXOPEHNVLIGWFM-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB Cc1cc(C(F)(F)F)nn1C[C@H](C)c1nnc(Cc2ccc(Cl)cc2)o1 8782565 LVLHKDJYXAIIEH-JTQLQIEISA-N 384.789 4.641 0 40 GJAB c1ccc(CCSc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1 9420350 KGVGEJBPUWEYRB-UHFFFAOYSA-N 383.480 4.674 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C)c2C)cc1 10314685 OXEBVZFUCXYRQW-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)(F)F)cc1 10860359 DUJYSCAVQNJQBA-UHFFFAOYSA-N 379.256 4.622 0 40 GJAB CC1CCN(S(=O)(=O)c2ccc(-c3csc(-c4ccccc4)n3)cc2)CC1 11916944 CEBUAVAKWVYEFU-UHFFFAOYSA-N 398.553 4.898 0 40 GJAB C[C@@H](c1ccccc1)N(C)C(=O)Cc1csc2nc(-c3ccccc3)cn12 12535707 QLSGQTJAMXUTOU-INIZCTEOSA-N 375.497 4.825 0 40 GJAB Cc1cccc(N2C(=O)/C(=C/Nc3c(C)cccc3C)c3ccccc3C2=O)n1 12651934 DHRXYRSTJKZCKW-XSFVSMFZSA-N 383.451 4.647 0 40 GJAB CCn1ncc2c(C(=O)Nc3ccc(C(C)=O)cc3)cc(-c3ccccc3)nc21 12831111 OLHLCQXKDUZLMC-UHFFFAOYSA-N 384.439 4.573 0 40 GJAB COc1ccc([C@H]2CCCCCN2Cc2nc(-c3cccc(OC)c3)no2)cc1 12910062 XDGXLKANHTYUGB-OAQYLSRUSA-N 393.487 4.871 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 12930234 FCNOAUULPLGMLH-UHFFFAOYSA-N 380.875 4.824 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1 13002037 MSRMMYFWSBROEJ-KRWDZBQOSA-N 397.906 4.568 0 40 GJAB O=C(COc1c(C(=O)O)ccc2ccccc12)Nc1cccc(C(F)(F)F)c1 13085950 SHKFBEMNSQXDKZ-UHFFFAOYSA-N 389.329 4.574 0 40 GJAB S=c1n(CN2CCc3sccc3[C@H]2c2cccs2)nc2ccccn12 14181822 RYJDZZFBINDHCM-KRWDZBQOSA-N 384.555 4.593 0 40 GJAB COc1ccc(NC(=O)[C@@H](C)SCc2ccccc2Br)cc1 15493164 NACFSICCZVFQAH-GFCCVEGCSA-N 380.307 4.718 0 40 GJAB Cc1ccc(CC(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1 19209329 GMPYILHOLCSRDN-UHFFFAOYSA-N 399.441 4.726 0 40 GJAB O=C(C1CC1)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373029 FZYLATGMBYVILM-OAQYLSRUSA-N 399.498 4.746 0 40 GJAB C[C@H](CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 19456065 XWNVRXYYQYFAPA-XXBNENTESA-N 393.575 4.801 0 40 GJAB Cc1noc2nc([C@@H]3CCCN(Cc4cccc(F)c4)C3)cc(C(F)F)c12 19564341 ZMLZADDVPYSEKB-CQSZACIVSA-N 375.394 4.988 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CCc1ccc2ccccc2n1 21432284 SUSKRBLNQXTWHU-MRXNPFEDSA-N 386.451 4.772 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)no2)cc1 21786655 HGXFVIUQQPVERT-UHFFFAOYSA-N 387.233 4.755 0 40 GJAB O=C(Nc1cccc(COc2cccc(F)c2)c1)C1C[C@@H]2CCC[C@H](C1)C2=O 26011538 DGRDMBVLBWKBGU-JWTNVVGKSA-N 381.447 4.739 0 40 GJAB Cc1cc(Br)c(NC(=O)OCC(F)(F)F)c(Br)c1 32628798 CCOQBRSUIKMOND-UHFFFAOYSA-N 390.981 4.631 0 40 GJAB Cc1ccc(Nc2c(-c3ccccc3O)nc3ncccn23)c(Br)c1 35616459 WUXBSUJWAKQFMN-UHFFFAOYSA-N 395.260 4.916 0 40 GJAB COc1cc(CSc2nnc(-c3sc(C)nc3C)o2)ccc1OC(F)F 37163408 HCMGXYKYELEAEF-UHFFFAOYSA-N 399.444 4.712 0 40 GJAB COc1ccc2nc(C)c(C(=O)Nc3cccc(-c4nccs4)c3)cc2c1 40150693 HEHNXXRWZFXHQZ-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB C[C@@H]1CCCCN1C(=O)c1cc(Br)cc(Br)c1Cl 41127302 FSLQPVNDGYFCOG-MRVPVSSYSA-N 395.522 4.880 0 40 GJAB Cc1ccc(CN(CCCn2ccnc2)Cc2cccn2-c2ccccc2F)o1 43277765 HXAQIFKFGNBISD-UHFFFAOYSA-N 392.478 4.807 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCOc1cccc2ccccc12 48312905 PVKBMVUVCSQCRR-UHFFFAOYSA-N 399.494 4.512 0 40 GJAB O=C(c1ccc2c(c1)CCCC2)N1CCC(Oc2nc3ccccc3s2)CC1 49431190 QQMSLDLHGAZRAL-UHFFFAOYSA-N 392.524 4.859 0 40 GJAB CN(C(=O)NCc1cccc(COCc2ccccc2)c1)C(C1CC1)C1CC1 51272258 CRHDQYVPVBVRDK-UHFFFAOYSA-N 378.516 4.733 0 40 GJAB CCN(Cc1ccccc1)[C@@H](c1ccc(C)cc1)c1nnnn1C(C)(C)CC 57613808 PUUZKSNYSNKYBU-NRFANRHFSA-N 377.536 4.738 0 40 GJAB COc1ccccc1/C(C)=C/C(=O)N(C)Cc1cc(Br)cs1 69703806 GRSNNPPIEWGMPI-XYOKQWHBSA-N 380.307 4.581 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3ccccc3)n2)cc1 72029748 OHPWCWAYOXNLFQ-ROUUACIJSA-N 377.469 4.511 0 40 GJAB Cc1sc(N2CCSCC2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1 72078662 WMSSIBCTLICPBX-UHFFFAOYSA-N 375.563 4.656 0 40 GJAB O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCC[C@@H]1c1ccncc1 84490542 HYZSSQZRKWPHQU-MRXNPFEDSA-N 384.386 4.600 0 40 GJAB COc1ccc(Br)c(CO)c1OCc1c(Cl)cccc1Cl 95095094 IEDQDJSYSYFZME-UHFFFAOYSA-N 392.076 4.836 0 40 GJAB CCc1noc(C2CCC(N[C@@H](C)c3cccc(Br)c3)CC2)n1 95466816 PNEZGHSJRXWRBO-FUJMWEONSA-N 378.314 4.772 0 40 GJAB Clc1ccc(C2=C[C@@H](c3c(Cl)cccc3Cl)n3nnnc3N2)cc1 101166968 RJSVMQXFRCPNSZ-AWEZNQCLSA-N 378.650 4.689 0 40 GJAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(Br)cc3)C2=O)cc1 214511637 RUDKJQLVQDBLJD-MHWRWJLKSA-N 388.286 4.994 0 40 GJAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224406291 FEBKDWZYTJDPQS-VQTJNVASSA-N 380.492 4.780 0 40 GJAB COCCN(Cc1cccn1C(C)C)C(=O)c1ccc2sc(Cl)nc2c1 225984794 ZHMJKEBJAWTMTE-UHFFFAOYSA-N 391.924 4.621 0 40 GJAB CC(C)Sc1ccc(CC(=O)NCCc2cnc(-c3ccccc3)nc2)cc1 252551401 UEMCQHNXKYJNKB-UHFFFAOYSA-N 391.540 4.546 0 40 GJAB CC(C)C[C@@H]1[C@H](Nc2cccc(Cl)c2)CCCN1C(=O)Cc1cccnc1 257218460 DDFIETZMKSVMDD-NHCUHLMSSA-N 385.939 4.795 0 40 GJAB COC(=O)c1c(NC(=O)CSCc2cccc(Cl)c2)sc2c1CCC2 408576315 SFFONVBFSPSHOC-UHFFFAOYSA-N 395.933 4.549 0 40 GJAB CC(C)N1CCN(c2cccc(N[C@H](c3ncc[nH]3)C3CCCCC3)c2)CC1 552281524 AFYLRODGWNWNFM-QFIPXVFZSA-N 381.568 4.674 0 40 GJAB O=C(NCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(-c2cccs2)s1 585148319 YSVIFVNDZHQACE-AWEZNQCLSA-N 392.933 4.663 0 40 GJAB CCc1nnc(-c2ccc(NC(=O)NC3(c4c(F)cccc4F)CCC3)cc2)o1 626414474 NKXSNYANWYWBTF-UHFFFAOYSA-N 398.413 4.778 0 40 GJAB Cc1ccc(-c2nc(-c3cccc(NC(=O)c4ccccc4F)c3)no2)nc1C 1615612932 MKCUYFAHEXJCKN-UHFFFAOYSA-N 388.402 4.807 0 40 GJAB COc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1ccco1 803435 YFEJPOGVRLNDSG-UHFFFAOYSA-N 394.427 4.580 0 40 GJAB Cc1cccc2cc(CN(C(=S)NC3CCCCC3)C3CCCC3)c(=O)[nH]c12 907821 JWTYTSBTUIGYDK-UHFFFAOYSA-N 397.588 4.788 0 40 GJAB CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1 993104 LJUKYXGVHFVNGC-UHFFFAOYSA-N 394.254 4.628 0 40 GJAB O=CNc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 1405091 OKAHLXXVRXGIKH-UHFFFAOYSA-N 380.860 4.885 0 40 GJAB CCCCCn1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 2335508 CKYJDJLTJJGNAD-UHFFFAOYSA-N 380.492 4.846 0 40 GJAB Oc1ccccc1-c1nc2c3c(ncn2n1)-c1ccccc1CC31CCCCC1 2358998 JYEJEAZVQMTJNO-UHFFFAOYSA-N 382.467 4.922 0 40 GJAB O=Cc1ccc(OCc2cccc3ccccc23)c(I)c1 2777301 HEXHNNNTKUBTAC-UHFFFAOYSA-N 388.204 4.836 0 40 GJAB COc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)cc1Cl 3254392 UFDWPKGLRKACIB-XBXARRHUSA-N 383.778 4.611 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nc2ccccc2s1 3323501 YXRWVQTUBRSVPE-UHFFFAOYSA-N 394.525 4.830 0 40 GJAB Fc1ccc(Nc2nc3nonc3nc2Nc2cccc(C(F)(F)F)c2)cc1 3470826 BINAUYXGNYHGCE-UHFFFAOYSA-N 390.300 4.658 0 40 GJAB COc1cccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)c1OC 4479356 XDZZBQWAYWOVHA-UHFFFAOYSA-N 397.481 4.689 0 40 GJAB COc1ccc(C2=N/C(=C\c3cccc(OCc4ccccc4)c3)C(=O)O2)cc1 4712816 MNEWTBJWRVCDTI-JCMHNJIXSA-N 385.419 4.619 0 40 GJAB CCOc1ccc(-c2nnc(SCc3cccc4ccccc34)n2N)cc1 5100636 HHTPDLYWXITKTE-UHFFFAOYSA-N 376.485 4.503 0 40 GJAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccccc4C)n3C)c[nH]c12 5859712 ZXAMTBYRBORZMN-UHFFFAOYSA-N 390.512 4.809 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cccc(C)c2O)c2ccccc2)c1 5986262 IMUIELLYCCXLCZ-QFIPXVFZSA-N 389.451 4.854 0 40 GJAB COc1ccc(/C=C/C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 6053871 MNXGIZUCLOYEPO-LFIBNONCSA-N 387.435 4.704 0 40 GJAB COc1ccc(-n2nc3c(c2NC(=O)CCC2CCCCC2)CSC3)cc1 6441604 SUWRMVTZKGUBMO-UHFFFAOYSA-N 385.533 4.927 0 40 GJAB CCN(CC)C(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 6636666 NYQVZRWIIZFFGA-UHFFFAOYSA-N 392.293 4.519 0 40 GJAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)cc1OC 6922843 QZYSXKPKTXYODP-ZODMCCGTSA-N 395.543 4.881 0 40 GJAB biogenic CCCCOc1ccc2ccccc2c1/C=C(\Sc1nnc(CC)[nH]1)C(=O)O 7342539 XZNGOQXOMQTVGH-AQTBWJFISA-N 397.500 4.917 0 40 GJAB COCCNc1oc2c(c1-c1cccc(OC)c1)c(=O)oc1c(C)cccc12 7636160 RVYOEHUNTVCWBV-UHFFFAOYSA-N 379.412 4.582 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(CN3CC[C@@H]4CCCC[C@@H]4C3)cs2)cc1 8266884 YADUZOYLRIBXLG-ZWKOTPCHSA-N 383.561 4.645 0 40 GJAB CNC(=O)c1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1 8423963 RESUTJRPHQHFSX-UHFFFAOYSA-N 390.508 4.508 0 40 GJAB O=C(Nc1nc2c(s1)CCCC2)c1cccc(NC(=O)c2cccs2)c1 9337298 SEXDDKPYQKXLPI-UHFFFAOYSA-N 383.498 4.588 0 40 GJAB Cc1cn2c(CC(=O)Nc3nnc(-c4ccc(C(C)C)cc4)s3)csc2n1 12531445 DBSCQKDDORXPLS-UHFFFAOYSA-N 397.529 4.527 0 40 GJAB CCCCc1noc(CSc2nnc(Nc3ccc(C)c(C)c3)s2)n1 12728475 OXDGMFIPGOGXMC-UHFFFAOYSA-N 375.523 4.916 0 40 GJAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccc(C)cc3C)ccc2c1 12748859 SHFVZDOZIBYVGZ-SFHVURJKSA-N 376.500 4.924 0 40 GJAB COc1cc(OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1Cl 12786879 UQNJJXDRJMIOKH-NSHDSACASA-N 384.259 4.725 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cccc(Br)c2)cc1 12887393 IYJRTSLOYQUWLM-LKQLOZHYSA-N 386.289 4.835 0 40 GJAB Cc1c(C(=O)Nc2ccc(Cl)c3ncccc23)cnn1-c1ccccc1F 12908389 IHSLNAAGJPWWJT-UHFFFAOYSA-N 380.810 4.774 0 40 GJAB C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 12909098 CLJBSRIKGZFGFB-ADLMAVQZSA-N 381.278 4.803 0 40 GJAB O[C@@H](c1ccccc1)c1nc2ccccc2n1CCCOc1ccc(F)cc1 13811624 FDCQNYABFLRHCD-QFIPXVFZSA-N 376.431 4.726 0 40 GJAB Cc1ccc([C@H](NC(=O)c2ccccc2Br)c2cccnc2)cc1 15839694 XUVOAYATKDXEFT-IBGZPJMESA-N 381.273 4.672 0 40 GJAB CCOc1ccc(CN2CCCC[C@@H]2c2n[nH]cc2-c2onc(C)c2C)cc1 19533255 QWQQTTPKTDZYNE-HXUWFJFHSA-N 380.492 4.807 0 40 GJAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccccc1F)c1ccccc1 19628927 PXVJDJJNBSYIBB-QGZVFWFLSA-N 390.458 4.888 0 40 GJAB Cc1nc(NCCc2ccccc2C)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 19717899 GZPXVSZUJRSPJS-INIZCTEOSA-N 377.536 4.674 0 40 GJAB Clc1ccc([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)cc1 20121023 HWDHTIZWGYDUTQ-OAQYLSRUSA-N 393.922 4.589 0 40 GJAB CCn1cc(C(=O)NC2CCCCCCC2)c(=O)c2cc(C(F)(F)F)ccc21 22236995 JPGRLWGWIGZOBW-UHFFFAOYSA-N 394.437 4.883 0 40 GJAB Cc1noc(-c2ccc(C(=O)N(Cc3ccco3)Cc3cccs3)cc2)n1 24462396 YNWZAPJGIAIINX-UHFFFAOYSA-N 379.441 4.542 0 40 GJAB Cc1nn(-c2ccc(NC(=O)c3ccc(CN4CCCC4)o3)cc2)c(C)c1Cl 28241200 BHOLSQKMNJPRQW-UHFFFAOYSA-N 398.894 4.584 0 40 GJAB CCc1ccc([C@@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)N(C)C)cc1 32733970 YRKANCQSWZBDFF-GOSISDBHSA-N 383.294 4.728 0 40 GJAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(SCc2cccs2)s1 32823809 JQLMXDARQJHWIC-AAEUAGOBSA-N 399.632 4.679 0 40 GJAB CCOC(=O)c1cc(CC)sc1NC(=O)Cc1nc(-c2ccccc2)oc1C 32900052 FEWUQWZNRDLJTN-UHFFFAOYSA-N 398.484 4.632 0 40 GJAB Cc1cc(C)c2[nH]c(CSCC(=O)Nc3cccc(C)c3C)cc(=O)c2c1 33063698 FPIHRSAIIGCAGO-UHFFFAOYSA-N 380.513 4.634 0 40 GJAB Cc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1 33262533 VTXPFJAXMHNRGU-UHFFFAOYSA-N 378.432 4.933 0 40 GJAB O=C(OCc1cc(-c2ccc(F)cc2F)on1)c1ncc(-c2ccccc2)o1 38767286 FWEJHEAZWIRXGQ-UHFFFAOYSA-N 382.322 4.632 0 40 GJAB COc1ccc(C2=CCN(C(=O)CCc3nc4ccccc4s3)CC2)cc1 40119699 PRRSZSFBEZMIEC-UHFFFAOYSA-N 378.497 4.553 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)c1 59176075 NVNGSVNRWSSBLS-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB Cc1cnc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)s1 59250088 KAWPHMHGGHUFCL-UHFFFAOYSA-N 395.315 4.742 0 40 GJAB Cc1ccc(OCCn2c(C(F)(F)F)nc3cc4c(cc32)OCCO4)cc1C 64814449 UEUGKFMLORKYKJ-UHFFFAOYSA-N 392.377 4.522 0 40 GJAB O=C(Nc1cc(-c2cccc(Br)c2)ncn1)C1(c2ccccc2)CC1 72290550 IUQGXRSTFDABJK-UHFFFAOYSA-N 394.272 4.576 0 40 GJAB CCCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccccc3[nH]2)C[C@H]1C(C)C 72320800 XJWYCQFFAMPTTA-FHWLQOOXSA-N 382.552 4.669 0 40 GJAB biogenic,in-vitro O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72357612 IAJMLOPCETXEGY-JOCHJYFZSA-N 378.422 4.928 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(OC(C)C)cc1)SCC(O)=N2 79486441 AFXQBBAUCZVOHK-HXUWFJFHSA-N 394.500 4.787 0 40 GJAB CSc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccn2)cc1 79490644 CEHAICNVZUZDHV-GOSISDBHSA-N 382.514 4.722 0 40 GJAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)N1CCCCCCC1 84364391 KJQYFCSGJJKDJT-UHFFFAOYSA-N 398.469 4.729 0 40 GJAB COc1ccc2c(c1)c(C(=O)N[C@@H](C)c1nc3ccccc3[nH]1)cn2C(C)C 96118674 NINHKMKEEWNALC-AWEZNQCLSA-N 376.460 4.598 0 40 GJAB CCCN1[C@H]2CC[C@H]1CC(C(=O)Nc1ccc(-n3cnc4ccccc43)cc1)C2 101433072 JQJQIJNUDANJGA-SFTDATJTSA-N 388.515 4.617 0 40 GJAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)c1ccc(OC)c(OC)c1 219322099 IRDCNQWKKRDTQR-DLBZAZTESA-N 391.895 4.782 0 40 GJAB CC(C)n1c(Cl)nc2cc(C(=O)NCc3cccn3-c3ccccc3)ccc21 222559031 RNZPGYVETLUKQV-UHFFFAOYSA-N 392.890 4.991 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 222965839 BBOLRMRREYHALT-GOSISDBHSA-N 396.531 4.571 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 224342543 QTGGUTODRQMLNA-GOSISDBHSA-N 394.515 4.960 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224428912 HJBVXCAOROECAZ-VQTJNVASSA-N 394.519 4.954 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C 224487938 CBCBEWLVUKEYPI-UHFFFAOYSA-N 380.488 4.709 0 40 GJAB CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224991231 PEONWBSLXBNBNG-UHFFFAOYSA-N 376.330 4.931 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)NC[C@H](CC)Cc2ccccc2)c1 225632543 ZUTGRYBGRMQZNJ-QGZVFWFLSA-N 384.545 4.727 0 40 GJAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc(Br)c1 226254753 HBYXBYLDMITOPQ-CYBMUJFWSA-N 388.309 4.662 0 40 GJAB Cc1csc(C2CCN(Cc3ccc(-c4ccccc4C(=O)O)o3)CC2)n1 257302823 SEQCRCZYVUORKF-UHFFFAOYSA-N 382.485 4.789 0 40 GJAB COc1cccc(-c2cccc(N[C@H](c3ccc(F)c(F)c3)[C@H](O)[C@H](C)O)c2)c1 257333773 YCZBICJNMIMCIV-NYDQNWGQSA-N 399.437 4.535 0 40 GJAB CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCC[C@H](C)C1 260812524 FIHGGMBYMASEJW-PONJGIIJSA-N 391.508 4.574 0 40 GJAB Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 409093907 BNPKGKSSCFWGGJ-UHFFFAOYSA-N 393.299 4.613 0 40 GJAB C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)c1cnc(O)c2ccccc12 585082867 BDTNFHQXJVVYRN-ZDUSSCGKSA-N 388.389 4.662 0 40 GJAB COC[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccc(C(F)(F)F)c1 605309460 JKZRZTOIKDEAHE-KRWDZBQOSA-N 396.796 4.958 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc(C)c1Cl 943450 AOSNJNAQQKKADH-UHFFFAOYSA-N 375.852 4.540 0 40 GJAB O=C(Nc1ccc(I)cc1)c1cc(Cl)ccc1Cl 997255 VIPQLLQAYOQONE-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1 1369132 PNZPGFYCLJMZHY-QZTJIDSGSA-N 399.560 4.854 0 40 GJAB CCOc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2N)cc1 2388553 HLMULFCWEVIOSH-UHFFFAOYSA-N 395.315 4.657 0 40 GJAB C[C@@H](CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccc(OC(C)(C)C)cc1 2518262 RJOJJTDMJJLFBO-FXAWDEMLSA-N 395.499 4.948 0 40 GJAB COc1cc(OC)cc([C@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)c1 3120636 PVHVXVBAVHTRQZ-RPWUZVMVSA-N 390.435 4.606 0 40 GJAB COc1cccc(C(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 3276501 KAULWGRMQYOARZ-QFIPXVFZSA-N 389.451 4.849 0 40 GJAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1cccc(C(F)(F)F)c1 4167268 BNAIHVWZBTVMPW-UHFFFAOYSA-N 395.431 4.955 0 40 GJAB COc1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1OC 4331023 QLEMQBUYYVJDCB-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB COc1ccc(-c2csc(NC(=O)CSc3ccccc3)n2)c(OC)c1 4496646 XYRKVPBYOPNKPQ-UHFFFAOYSA-N 386.498 4.558 0 40 GJAB CC(C)C(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 4593273 OPFAXSDVXVTLJW-UHFFFAOYSA-N 394.254 4.628 0 40 GJAB CCCNC(=O)CSc1nc(-c2cccc(C)c2)nc2ccc(CC)cc12 4894932 UPTFBSCWABBOIE-UHFFFAOYSA-N 379.529 4.786 0 40 GJAB Cc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4cccc(C)c4)cc3)C(=O)O2)cc1 5543813 RXGFZLWVVZHORO-PXLXIMEGSA-N 397.430 4.867 0 40 GJAB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2cccc3ccccc23)c1 5606912 FQXSXTISNVHOHX-UHFFFAOYSA-N 378.497 4.970 0 40 GJAB O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2c3c(ccc12)OCCO3 5675689 ZCDWCSMJPNXCTB-UHFFFAOYSA-N 382.721 4.903 0 40 GJAB Clc1cccc(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)c1 6335383 OBJAJBWYMHDXTP-UHFFFAOYSA-N 384.936 4.550 0 40 GJAB CN(C)Cc1ccccc1CNC(=O)c1ccc(C2SCCCS2)cc1 7065537 PAWNLORMJAVLTK-UHFFFAOYSA-N 386.586 4.547 0 40 GJAB Cc1nc(NCCSc2nccn2C)c2c(-c3ccccc3)csc2n1 7129596 VKOHCAODTCBRNC-UHFFFAOYSA-N 381.530 4.604 0 40 GJAB O=C(c1ccc(F)cc1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 7424478 RCAFQODPAXNGEZ-UHFFFAOYSA-N 398.438 4.508 0 40 GJAB O=C(Nc1ccccc1)c1ccc(CSc2nncn2-c2ccccc2)cc1 7777943 GYBPJHQGCURBIY-UHFFFAOYSA-N 386.480 4.812 0 40 GJAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1 8041153 ZGNRJVAXWPPBBU-INIZCTEOSA-N 377.937 4.774 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3ccccn3)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 9307954 NXVAKJWZOQVXDJ-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccc3ncsc3c2)c(C(F)(F)F)c1 10641228 DEOLQDOFLAEYMU-UHFFFAOYSA-N 379.363 4.526 0 40 GJAB Cc1ccccc1-n1nc(C)c(CN(Cc2sccc2C)C[C@H](C)O)c1C 12185450 VJILNGIJTZUZLT-KRWDZBQOSA-N 383.561 4.550 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCc2nc(-c3ccc(C)c(F)c3)no2)cc1 12553328 BWDKUJDZERQLET-UHFFFAOYSA-N 395.463 4.674 0 40 GJAB CCc1ccc(CN(Cc2ccc(N3CCCC3=O)cc2)Cc2cccnc2)cc1 13569131 RKSLSFXLTTWOFF-UHFFFAOYSA-N 399.538 4.973 0 40 GJAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(OC)cc1 14649229 NGBPCKHMAQFLEK-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB FC(F)(F)c1cccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 15227982 IGXDEQKMBBGCKD-UHFFFAOYSA-N 380.347 4.776 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)COc2cccc3ccccc23)CC1 15950147 VNEGBPZJYIJZEL-UHFFFAOYSA-N 394.902 4.529 0 40 GJAB CN(C)[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 16599594 ASUWYEFMGJGPDF-IBGZPJMESA-N 386.586 4.588 0 40 GJAB CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)c1 16751280 MLXHPOGPMJXRCJ-HXUWFJFHSA-N 377.440 4.537 0 40 GJAB Cc1csc([C@H](Cc2ccsc2)NCc2ccccc2-n2cccn2)n1 19240254 KDAHLJCVURCUFN-SFHVURJKSA-N 380.542 4.772 0 40 GJAB Cc1cccc(CN(Cc2ccccc2)Cc2ccc(N3CCCC3=O)cc2)n1 19662795 LVWGKQBMLSTVMS-UHFFFAOYSA-N 385.511 4.719 0 40 GJAB Cc1onc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1CN(C)C 19714775 KMCZCGQAXSYNTI-UHFFFAOYSA-N 392.484 4.574 0 40 GJAB CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 20111040 ZGVLMAPDXHWDNW-UHFFFAOYSA-N 392.329 4.915 0 40 GJAB COc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 20460062 ZHHFISOOJQDBQG-UHFFFAOYSA-N 387.785 4.947 0 40 GJAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccccc1Cl 20493010 KVLDLVQLLDLXFF-ZDUSSCGKSA-N 384.328 4.810 0 40 GJAB CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(F)cc2)[C@@H]1c1ccccc1OC 22699403 IBWSDDWGQQJSTO-UGKGYDQZSA-N 398.478 4.553 0 40 GJAB COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1C 27744079 UQPKGBFDMPMKHD-HNNXBMFYSA-N 395.459 4.583 0 40 GJAB Cc1cccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)c1 28288715 XSCCOFQESXYBBL-QHCPKHFHSA-N 394.559 4.625 0 40 GJAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccco1 32610218 HBYPRFNLRZNHNQ-UHFFFAOYSA-N 380.231 4.689 0 40 GJAB CCOc1cc(C(=O)N[C@@H](CC)c2ccc(Br)cc2)ccc1OC 36758647 SUXJHGDSDJUPLS-INIZCTEOSA-N 392.293 4.738 0 40 GJAB CCn1cc(/C=C2\C[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)cn1 71785084 OYOBEWYVPOOXAW-XBKRQXCESA-N 378.516 4.519 0 40 GJAB Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2nnc(C(C)C)s2)c1 72306016 OACGGSYKMFGXMK-UHFFFAOYSA-N 381.505 4.599 0 40 GJAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 72356086 CFNLTIPEVLRVSI-OAQYLSRUSA-N 389.474 4.535 0 40 GJAB COc1cc(C)ccc1CN1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)n1 72372692 NNFIVAHGTZFMEZ-OAQYLSRUSA-N 389.503 4.578 0 40 GJAB CCC(=O)Nc1ccc(-c2cn3nc(-c4ccco4)c(-c4ccco4)nc3n2)cc1 72373388 VUDAWTCFFHICHM-UHFFFAOYSA-N 399.410 4.660 0 40 GJAB FC(F)Oc1ccc2c(c1)CCC[C@H]2NCc1cc(Cl)c2c(c1)OCCO2 84490035 XVGAPYKHNJAPTG-QGZVFWFLSA-N 395.833 4.880 0 40 GJAB Cc1ccc(CCC(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc1 89632215 XNIXNVZTCQCVMY-QHCPKHFHSA-N 399.494 4.610 0 40 GJAB CCc1c(C(=O)Nc2nc(-c3ccc(C)s3)cs2)cnn1-c1ccccn1 97212522 HTAZDGMDFIKMTE-UHFFFAOYSA-N 395.513 4.575 0 40 GJAB CN(C)[C@@H](CNC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)c1ccccc1Cl 102361237 ZGUFFRUYRWVNON-ZVENVLNASA-N 395.374 4.637 0 40 GJAB CC(=O)c1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 102850949 SVZSWPSNIXZDPQ-SNEKZUEESA-N 390.321 4.952 0 40 GJAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 222761554 AHAYNXYVNKKUNP-RBUKOAKNSA-N 383.904 4.906 0 40 GJAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1C 223286583 IHPGCVSRGFLZKB-MRXNPFEDSA-N 375.534 4.649 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 223768753 UILABSCQOLTULG-NHCUHLMSSA-N 392.528 4.650 0 40 GJAB CCOc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225582252 ALDCVTAPXMDCFG-UHFFFAOYSA-N 390.886 4.729 0 40 GJAB COc1cc(C)c(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C(C)C 225669857 IDYNPYXPFTWHML-UHFFFAOYSA-N 399.878 4.760 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1csc2ccccc12 225693752 SOLHSEYFYJXWDG-QGZVFWFLSA-N 389.904 4.562 0 40 GJAB S=C(Nc1ccc(Br)cc1)NC1(c2ccncc2)CCCC1 225846268 YKBFCVIVCLQVEU-UHFFFAOYSA-N 376.323 4.600 0 40 GJAB O=C(O)c1cc(OCc2ccc(Cl)cc2Cl)cc(Br)c1O 226298969 BJJVKKPAMZDFKI-UHFFFAOYSA-N 392.032 4.739 0 40 GJAB O=C(NCCc1cnc(-c2ccccc2)nc1)Nc1ccc(Cl)c(Cl)c1 244933300 CLGYPRREYIMJOA-UHFFFAOYSA-N 387.270 4.815 0 40 GJAB COc1ccc(Br)c(C(=O)NC2(c3cccs3)CCCC2)c1 390829163 WTVNANHZOQJMRN-UHFFFAOYSA-N 380.307 4.719 0 40 GJAB Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)C(C)(C)C)c3)oc2c1 408627134 KOAVUODPPSYGJL-UHFFFAOYSA-N 381.501 4.971 0 40 GJAB O=S(=O)(NCc1nc(C2CCCCC2)cs1)c1cccc2ccccc12 575609121 OTYKHJCROQUERG-UHFFFAOYSA-N 386.542 4.823 0 40 GJAB CCc1ccc2occ(-c3nc(-c4cccc(CN5CCCC5=O)c4)no3)c2c1 576385041 YWXSBQDGXMYQAX-UHFFFAOYSA-N 387.439 4.835 0 40 GJAB CN(C(=O)c1ccccc1OCc1cccnc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 585084105 JKMCELRVJFGDEP-CALCHBBNSA-N 392.421 4.854 0 40 GJAB Cc1coc(-c2cc(NC(=O)NCc3cccc(OC4CC4)c3F)ccc2C)n1 666357055 CONKMXJJUGQYCH-UHFFFAOYSA-N 395.434 4.960 0 40 GJAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)ccc12 846904 FRECHKISTLIPPC-GFCCVEGCSA-N 391.345 4.526 0 40 GJAB COC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CCCC2 942638 UATBFWOMBLJFQD-UHFFFAOYSA-N 379.481 4.748 0 40 GJAB COC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 1397656 LYRFTFDZWBXRTP-OAHLLOKOSA-N 381.653 4.632 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 1886285 HVFNXBATEXBKAM-UHFFFAOYSA-N 375.852 4.623 0 40 GJAB O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(Cl)cc1Cl 2846428 CFCWVHJCRBLINY-UHFFFAOYSA-N 389.032 4.706 0 40 GJAB C[C@@H](NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 3297275 KYXMDSYBKPJZCC-QGZVFWFLSA-N 375.424 4.513 0 40 GJAB C[C@@H]1CCCCN1C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 3400910 WYSHZIBJEHTXBM-LLVKDONJSA-N 399.994 4.810 0 40 GJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)o2)cc1 3459034 FMPOOGOKLQEVLP-OAHLLOKOSA-N 397.500 4.790 0 40 GJAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 4165404 XDNVIJCNYRHZEN-UHFFFAOYSA-N 390.405 4.505 0 40 GJAB O[C@@]1(c2ccc(Cl)cc2)CC(C(F)(F)F)=NN1c1nc2ccccc2s1 4322763 MORYWVOBJVXRSB-MRXNPFEDSA-N 397.809 4.923 0 40 GJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 4815081 CCOGLVOYNBKWKG-RBUKOAKNSA-N 380.879 4.799 0 40 GJAB CCC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 5200779 HLGIGYBKCRYQEM-UHFFFAOYSA-N 386.879 4.550 0 40 GJAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1cccs1 5245353 OHFLQBBRDLXXIP-UHFFFAOYSA-N 391.404 4.503 0 40 GJAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc(Cl)cc(Cl)c1)CC2 5354621 BMBTZBNBINSPFU-NSHDSACASA-N 380.271 4.770 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1n[nH]c2nc3ccccc3n12 6509094 DDHDZZVJTLAKBC-ZIAGYGMSSA-N 393.516 4.843 0 40 GJAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 6622654 LCCPOQOZCSEUIO-NSHDSACASA-N 393.299 4.693 0 40 GJAB Cc1ccc(F)cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 6790557 OQUGBEDNNVOLFH-NRFANRHFSA-N 376.431 4.634 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 6879671 JTLDEGWYLQBSEE-UHFFFAOYSA-N 392.480 4.519 0 40 GJAB Cc1ccc(C)c(-n2ccnc2S[C@@H](C(=O)NC2CC2)c2ccccc2)c1 6933980 SXEKTCFYFDMUGO-HXUWFJFHSA-N 377.513 4.601 0 40 GJAB Cn1c(Sc2ncnc3scc(-c4ccccc4)c23)nnc1C(F)(F)F 7007548 QGJFQGDMRFZULX-UHFFFAOYSA-N 393.419 4.657 0 40 GJAB Cc1ccc2c(COC(=O)c3csc(-c4cccs4)n3)cc(=O)oc2c1C 7075282 JFFSBGNTEMIMDX-UHFFFAOYSA-N 397.477 4.952 0 40 GJAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc2oc3ccccc3c2c1 7735451 NZYPIKRRMJHSFE-UHFFFAOYSA-N 398.418 4.601 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CCc3nc(-c4cccs4)no3)c2)cs1 8262521 JIINXZHDMBYLLB-UHFFFAOYSA-N 396.497 4.801 0 40 GJAB C/C(=C/c1ccccc1)C(=O)Nc1nnc(CCCOc2ccccc2)s1 9426491 IYXZHVFQOBFJOE-NXVVXOECSA-N 379.485 4.592 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-c2ccc(Cl)cc2)o1 9909448 PIQOXBTWMUFDDZ-QGZVFWFLSA-N 384.863 4.760 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 11916220 ZKDNHFBEUOURES-LJQANCHMSA-N 398.503 4.999 0 40 GJAB COc1ccc(-c2csc3ncnc(NC[C@@H](O)c4ccccc4)c23)cc1 12614194 VPJRXBRLYAABQK-GOSISDBHSA-N 377.469 4.512 0 40 GJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1OCc1ccccc1 12735913 POVHNTNSJAOSTI-UHFFFAOYSA-N 386.451 4.645 0 40 GJAB Cc1cc(Br)ccc1NC(=O)c1cc(F)ccc1Br 13006767 AJXDUQLFKNIDMC-UHFFFAOYSA-N 387.046 4.911 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1N1CCCC1=O 15614667 FIJHRRRGKHDSNL-UHFFFAOYSA-N 384.479 4.974 0 40 GJAB CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757623 PAHIGNLANJMIHA-UHFFFAOYSA-N 389.480 4.743 0 40 GJAB CC[C@@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc(OC)cc1 20044915 AKRBXFCRANQGLD-WZONZLPQSA-N 380.532 4.808 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20144765 VSCPDXFEFAZNJS-UHFFFAOYSA-N 385.847 4.888 0 40 GJAB COc1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1OC 20411981 QRLVZXVUVAKLCK-UHFFFAOYSA-N 380.425 4.826 0 40 GJAB Cc1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)o1 20922614 VZTCEOYTAPSXOU-UHFFFAOYSA-N 392.286 4.720 0 40 GJAB COc1cccc(-c2nc3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3o2)c1 21579269 HDQBHDNYYLNFJB-UHFFFAOYSA-N 394.452 4.613 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1 27583198 GYPCWBGRFXXYNT-UHFFFAOYSA-N 395.390 4.971 0 40 GJAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1sccc1-c1ccccc1 31415846 NYQDBVBZKUELKC-UHFFFAOYSA-N 384.888 4.779 0 40 GJAB O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccccc1Br 32906527 MMPIZRTVWGERPQ-UHFFFAOYSA-N 392.146 4.782 0 40 GJAB O=S(=O)(NCc1nc(-c2ccccc2)cs1)c1cc(Cl)ccc1Cl 32916415 ONAWESGVLSHJLS-UHFFFAOYSA-N 399.324 4.595 0 40 GJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2Cc2ccncc2)n1 72376858 HSAXFAZBQFCACX-LJQANCHMSA-N 379.895 4.501 0 40 GJAB COc1cccc([C@H](C)Sc2nnc(CN3CCCC3)n2-c2ccccc2)c1 79001627 RWLNKQLOUWHSOH-KRWDZBQOSA-N 394.544 4.725 0 40 GJAB COC(=O)c1cc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)ccc1Cl 79058194 UBTOZUKGRMMJBR-SECBINFHSA-N 385.819 4.524 0 40 GJAB Cc1ccc(-c2noc([C@@H](C)SCc3nc(C(C)(C)C)no3)n2)cc1F 84185381 QFJCXWSDMIVSRU-LLVKDONJSA-N 376.457 4.859 0 40 GJAB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc3c(c2)OCO3)S1 85412052 JDTPWIYKBAIGRB-GOSISDBHSA-N 385.489 4.687 0 40 GJAB Cc1noc2nc(C(C)C)cc(C(=O)N(C)Cc3ccccc3C(F)(F)F)c12 95947856 OKUBCBNSCASNDW-UHFFFAOYSA-N 391.393 4.946 0 40 GJAB COC1=CC=C2[C@@H]3Cc4ccc(OC)c(Oc5ccccc5)c4[C@]2(CCN3C)C1 96316423 WZTKOQWLQWUDKG-SQJMNOBHSA-N 389.495 4.846 0 40 GJAB biogenic,in-vitro CC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(OC)c(C)c1 222616033 VJRZCFVKWQFQGR-HSZRJFAPSA-N 394.559 4.792 0 40 GJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225618805 MERZXCVAFBYIOE-SELNLUPBSA-N 390.568 4.577 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)c1cc2cc(Cl)ccc2oc1=O 226041184 RQJRFHUAAHUAHO-UHFFFAOYSA-N 382.630 4.683 0 40 GJAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(OC)cc1 408560137 CCZVWDSDZMAMSP-FCQUAONHSA-N 380.513 4.911 0 40 GJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)c(F)c3)ccc21 408693750 CZKMXEJWYOABGZ-UHFFFAOYSA-N 398.459 4.763 0 40 GJAB CC1(C)OC(=O)C([C@H](c2cccc3ccccc23)c2c[nH]c3ccccc23)C(=O)O1 409117373 XOBXITQOMFAJBM-OAQYLSRUSA-N 399.446 4.905 0 40 GJAB C[C@H]1CCc2c(C(=O)N3CCC[C@@H](c4cc(C(F)(F)F)n[nH]4)C3)csc2C1 461966172 OEHQTOIYIZHZNC-NWDGAFQWSA-N 397.466 4.635 0 40 GJAB Cc1ccc2c(C)c(C(=O)N=c3[nH]nc(-c4cc(F)ccc4F)s3)oc2c1 526052233 HENQEDIJQOIYFM-UHFFFAOYSA-N 385.395 4.521 0 40 GJAB Cc1ncc(CN[C@@H](C)c2nc(-c3ccc(Br)cc3)cs2)o1 628229093 JKRVEPAQCXFYBG-JTQLQIEISA-N 378.295 4.720 0 40 GJAB C[C@@H]1COCC[C@H]1c1noc(C2(c3cccc(OC(F)(F)F)c3)CCC2)n1 656019684 MTCBYIMJPFEPHX-IUODEOHRSA-N 382.382 4.578 0 40 GJAB CCc1ccc2occ(C(=O)N[C@H](C)[C@@H](O)c3c(F)cccc3Cl)c2c1 1545594985 AUHMDCIRIWNNMD-NSPYISDASA-N 375.827 4.640 0 40 GJAB COc1ccc2cc(C)c(SCC(=O)N3c4ccccc4C[C@@H]3C)nc2c1 932976 GBWMTIDAZKNTLJ-HNNXBMFYSA-N 378.497 4.622 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 1012814 NWRADDXWJURPSO-UNOMPAQXSA-N 394.496 4.793 0 40 GJAB O=C1OC(c2ccccc2Br)=N/C1=C\c1cccc2ccccc12 1084850 JVDKZFYHJQKUOW-PDGQHHTCSA-N 378.225 4.947 0 40 GJAB CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 2052937 HUIDNBMAGMEAIP-UHFFFAOYSA-N 392.238 4.751 0 40 GJAB O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]1(O)c1c[nH]c2ccccc12 2339978 NWHPCYPBWLDGBW-QHCPKHFHSA-N 388.854 4.604 0 40 GJAB C[C@H](O)CNc1nc(SCc2ccccc2)nc2sc3c(c12)CCCC3 2377704 DXFRMPIKGJZNTM-ZDUSSCGKSA-N 385.558 4.655 0 40 GJAB Cc1ccccc1-n1nnnc1SCC(=O)c1ccc(-c2ccccc2)cc1 3286989 ZHDINGNSTPVSGF-UHFFFAOYSA-N 386.480 4.613 0 40 GJAB CC(C)(C)c1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3395157 RITOVFKVRUAHKI-UHFFFAOYSA-N 389.499 4.673 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccc(Cl)c(Cl)c1 3434436 ZQDQQKKNNDMFCF-MRXNPFEDSA-N 382.291 4.935 0 40 GJAB Cc1ccc(C(=O)OCc2nc3ccccc3s2)cc1NC(=O)c1ccco1 3602457 FSNDYHSPKIKIMV-UHFFFAOYSA-N 392.436 4.807 0 40 GJAB COc1ccc(C2=NNC(c3cccs3)=Nc3ccc(Cl)cc32)cc1OC 4129889 RUCCRGOTOCENTD-UHFFFAOYSA-N 397.887 4.853 0 40 GJAB CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(Br)cc3)c(O)cc12 4424917 CVGJHRDYNJJHQS-UHFFFAOYSA-N 388.261 4.799 0 40 GJAB Cc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)cc2)cc1 4518110 BFDUJZHYMBJTMP-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)(C)C)CC2=O)cc1Cl 4588777 IPLUFCLOAXYULF-HNNXBMFYSA-N 384.907 4.938 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)c1 4649349 GENKOUIHXWCEKN-UHFFFAOYSA-N 388.496 4.675 0 40 GJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 4735550 JWMYMVGHCHBMOA-NRFANRHFSA-N 375.472 4.977 0 40 GJAB O=C([C@H]1CCCN(Cc2cccc3ccccc23)C1)N1CCc2ccccc2C1 4745075 VLIHKSXDDPUCHU-DEOSSOPVSA-N 384.523 4.637 0 40 GJAB COC(=O)[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccccc1 4747493 JSHBNZSVAYLBJK-FQEVSTJZSA-N 398.842 4.618 0 40 GJAB CCOc1ccccc1C(=O)NCCc1sc(-c2cccc(F)c2)nc1C 5137068 SMHDVOIVRWMVQX-UHFFFAOYSA-N 384.476 4.629 0 40 GJAB COc1cccc(-c2c(NC(=O)c3ccc(C)cc3)n(C)c3ccccc3c2=O)c1 5267638 VOEFOJGPFNZYJW-UHFFFAOYSA-N 398.462 4.775 0 40 GJAB COCCn1c(SCc2cc(C)ccc2C)nnc1-c1c[nH]c2ccccc12 6426289 WWOMNVWHKWIQIB-UHFFFAOYSA-N 392.528 4.982 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccc(Cl)cc2)c1 6440991 DSMFRNLTOPHTLP-UHFFFAOYSA-N 384.284 4.652 0 40 GJAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(Cl)cc1Cl 6527348 ARDBGWDIHSLWCN-UHFFFAOYSA-N 389.238 4.769 0 40 GJAB COc1cccc(NC(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)c1 6623838 HGEJACIFSRWRKK-UHFFFAOYSA-N 391.423 4.654 0 40 GJAB biogenic Cc1cc2ncn(Cc3nc(-c4cccc(Br)c4)no3)c2cc1C 6648008 ITVASNAZIBUOKI-UHFFFAOYSA-N 383.249 4.514 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc2ccccc2c1 6886661 DFRDXJOEZFEKIS-UHFFFAOYSA-N 382.345 4.692 0 40 GJAB Cc1cccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 6967847 ZLWKYFIBDYEVEX-CPNJWEJPSA-N 377.831 4.536 0 40 GJAB COc1ccc(CCNCc2ccc(OCCc3ccccc3)c(OC)c2)cc1 7540146 MHPKRDQDJPFEJW-UHFFFAOYSA-N 391.511 4.658 0 40 GJAB C[C@@H]1CCCC[C@@H]1NC(=S)Nc1cccc(-c2nnc3n2CCCCC3)c1 7582554 PATFLAHMOJVBAF-QAPCUYQASA-N 383.565 4.537 0 40 GJAB Cc1ccc(Cn2nccc2NC(=O)COc2ccccc2-c2ccccc2)cc1 7696864 YDPMOZOBAISNRL-UHFFFAOYSA-N 397.478 4.924 0 40 GJAB Cc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c(Cl)c1 7919651 KXRISCUNIFNFPB-UHFFFAOYSA-N 380.860 4.967 0 40 GJAB Cc1csc(N(C(=O)/C=C/c2ccc3c(c2)OCCO3)c2ccccc2)n1 7989908 LTUZABMRCFYMFI-CSKARUKUSA-N 378.453 4.601 0 40 GJAB CC(=O)c1c(C)[nH]c(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c1C 8042048 POEVORQMVVALED-UHFFFAOYSA-N 379.485 4.973 0 40 GJAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CC[C@H]2CCCC[C@H]2C1 8095279 UUMIHGXKSHQLCC-QUCCMNQESA-N 386.499 4.587 0 40 GJAB COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)cc1OC 8903901 RRXSBUGVLVFMRK-JXMROGBWSA-N 390.395 4.757 0 40 GJAB CC(C)c1nc2sc3c(=O)n(CCc4ccccc4)cnc3c2c2c1CCC2 9423877 AQMFFZMCVXYWBO-UHFFFAOYSA-N 389.524 4.861 0 40 GJAB O=C(Nc1ccc(SCc2cccc(C(F)(F)F)c2)nn1)c1ccco1 11739281 NMXRYOQFNWMDPQ-UHFFFAOYSA-N 379.363 4.633 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCc4sccc4C3)c12 12216814 WNQXHVCWACMJQR-UHFFFAOYSA-N 393.443 4.597 0 40 GJAB Cc1ccsc1-c1nnc2sc(-c3ccc(Br)cc3)nn12 12407782 SXQMXQSCTCPTFN-UHFFFAOYSA-N 377.292 4.652 0 40 GJAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 12463083 DQTVULXYIJFHKA-FQEVSTJZSA-N 381.479 4.914 0 40 GJAB CC[C@H](C(=O)O[C@H](c1ccc2c(c1)OCCO2)C(F)(F)F)c1ccccc1 12569409 OJZZKFGVEUBSJK-MAUKXSAKSA-N 380.362 4.798 0 40 GJAB CCCn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1cccc(C)c1 12793551 HOIDQGYRBBBZDK-UHFFFAOYSA-N 398.507 4.924 0 40 GJAB Brc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@H](c1ccncc1)O2 13752143 OECXDQQNWHIUCS-APWZRJJASA-N 396.244 4.679 0 40 GJAB Cc1ccc(OCc2nc(CC(=O)N3c4ccccc4C[C@H]3C)cs2)cc1 14680452 YGQSKNRSRARHPC-MRXNPFEDSA-N 378.497 4.551 0 40 GJAB CC(C)COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 15834040 WMPLUALCUVFUQL-SFHVURJKSA-N 377.488 4.618 0 40 GJAB C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 16576670 VOAHIOBULFQAOI-XUXNNNHQSA-N 377.326 4.778 0 40 GJAB CCCCCOc1ccc(C=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1OC 16818877 WROFQHLAXIHBIB-UHFFFAOYSA-N 399.512 4.911 0 40 GJAB Cc1nc(C(=O)Nc2ccccc2C(F)(F)F)nn1-c1ccc(Cl)cc1 17193655 YWJADPQPXIDMBR-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB CCn1cc(-c2cc(C(=O)Nc3ccc(-c4csc(C)n4)cc3)on2)c(C)n1 19524727 OQUKHGNDLYRUNX-UHFFFAOYSA-N 393.472 4.551 0 40 GJAB COc1ccc(-c2nc(NC(=O)C[C@H](C)n3nc(C)cc3C)sc2C)cc1 19573144 ZHRMQRSWJCPTDY-AWEZNQCLSA-N 384.505 4.530 0 40 GJAB COc1ccc(C(=O)N2CN(Cc3ccccc3)Cc3c2sc(C)c3C)cc1 20218815 CDYKHJAZGZZNSW-UHFFFAOYSA-N 392.524 4.994 0 40 GJAB Cc1ccc(-c2csc3ncc(C(=O)NC4CCCCCCC4)c(=O)n23)cc1 20394117 VSLTWYRGTSMKGO-UHFFFAOYSA-N 395.528 4.574 0 40 GJAB CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCCC[C@@H]12 25184396 SDFWRNQJNYARMA-IRLDBZIGSA-N 379.891 4.664 0 40 GJAB COc1cccc(-c2nc(C(=O)N(C)[C@H](C)c3ccccc3)cs2)c1OC 25617812 KYPZOXVEGCHWOC-CQSZACIVSA-N 382.485 4.661 0 40 GJAB C[C@@H](NCc1cccc(OCc2ccccn2)c1)c1ccc(-n2ccnc2)cc1 30544907 XRQJBRYJYPLMMO-LJQANCHMSA-N 384.483 4.697 0 40 GJAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832906 ZEZJHYHGZRDWJA-KRWDZBQOSA-N 391.342 4.864 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1nnc2n1CCCCC2 40030638 IVBXJDIKVZKRHM-HNNXBMFYSA-N 394.306 4.680 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3C(=O)NCc3ccc(C)cc3)n2)cc1 41155501 ROQRLWLMYNMLFC-UHFFFAOYSA-N 399.450 4.651 0 40 GJAB CCOc1cccc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 44899827 WMRNADCPIOHJKZ-UHFFFAOYSA-N 384.328 4.942 0 40 GJAB O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44917150 LTBLOQKXXQMYCE-LJQANCHMSA-N 396.506 4.998 0 40 GJAB O=c1[nH]c(CN2CCC[C@H]2c2cccs2)nc2scc(-c3ccco3)c12 58160613 HHLBHGGPZVAGMF-ZDUSSCGKSA-N 383.498 4.643 0 40 GJAB C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(-c2ccc(F)cc2)no1 58417586 GZZFINFONOLYNI-LBPRGKRZSA-N 385.464 4.697 0 40 GJAB CN1c2ccccc2C(=O)N[C@@H]1c1csc(-c2ccc(C(F)(F)F)cc2)n1 60523306 HLVXDPQCWWLZFH-INIZCTEOSA-N 389.402 4.707 0 40 GJAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72218891 FAYONVJBHRZOLM-OAQYLSRUSA-N 379.504 4.854 0 40 GJAB CN(C)CC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 72259319 LEHPMDSRZDWLNR-HSZRJFAPSA-N 390.502 4.767 0 40 GJAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 72379080 MZYSYGWIESMKIX-IBGZPJMESA-N 378.495 4.909 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C)n2)C12CCCC2 79495411 CIVXLHSFBZBSFR-DYESRHJHSA-N 391.515 4.679 0 40 GJAB COCCn1ccc2c(NC(=O)Cn3ccc4ccc(Cl)cc43)cccc21 95479503 HLHQSSUXSZUQNK-UHFFFAOYSA-N 381.863 4.535 0 40 GJAB c1ccc(Nc2ccc3nc(C4CCN(Cc5cccs5)CC4)nn3c2)cc1 96038315 UNNISRPSBOOCHU-UHFFFAOYSA-N 389.528 4.914 0 40 GJAB CO[C@@H](CNC(=O)CC(c1ccccc1)c1ccccc1)c1cccc(F)c1 96388255 CMKWVCMKJTZOGX-QHCPKHFHSA-N 377.459 4.852 0 40 GJAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc(Cc2c[nH]c3ccccc23)n1 97001747 XQMDSGKPUMSBAY-QGZVFWFLSA-N 384.480 4.754 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 136532511 VPRGASMYRBOBFD-HDICACEKSA-N 396.874 4.580 0 40 GJAB O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)Nc1ccccc1 214681781 OYMUFCIRVZCIGM-CPNJWEJPSA-N 388.448 4.515 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1C 222970218 GICGXLIYFAYUID-UHFFFAOYSA-N 393.814 4.785 0 40 GJAB CCc1ccc(CC)c(CNS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 223731312 SDJXCGUWYBSZJO-UHFFFAOYSA-N 389.561 4.730 0 40 GJAB COc1cccc(-c2cnc(CCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c1 224846549 AFEJNNULWQIQCF-UHFFFAOYSA-N 390.361 4.940 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2C(F)(F)F)CC1 408709900 ZEIYDAPLVGBKNQ-UHFFFAOYSA-N 384.442 4.755 0 40 GJAB Cc1cccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@H]3[C@@]2(O)C(F)(F)F)c1 409098882 MMYMTVGUTJAJTP-QMTMVMCOSA-N 382.426 4.520 0 40 GJAB O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 529089484 JOCDYEQGIPFJSK-UYXZNNOOSA-N 388.920 4.524 0 40 GJAB C[C@@H]1NCCO[C@H]1c1ccc(-c2cc(F)ccc2OCc2ccncc2)cc1 629704859 DEZNQXVDZNPIKM-QMHKHESXSA-N 378.447 4.516 0 40 GJAB FC(F)(F)[C@H]1CC(Nc2nnc(-c3ccon3)s2)C[C@H](C(F)(F)F)C1 672162011 TUOSPQNSUYZBIJ-RNFRBKRXSA-N 386.321 4.515 0 40 GJAB CC(C)(C(=O)N1CCC[C@H](C2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 1597236477 SKZGVCALRDMRHG-HNNXBMFYSA-N 384.347 4.936 0 40 GJAB CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3 986194 DKBTXRRQBQLTSR-HNNXBMFYSA-N 386.542 4.575 0 40 GJAB Cc1c(/C=C2/SC(=O)N(C)C2=O)c2ccccc2n1Cc1ccccc1F 1094684 XVUUNPVWRZXSAY-YBFXNURJSA-N 380.444 4.803 0 40 GJAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(=O)[nH]c2c1C 1359435 UPZXJOYIAXTZNS-UHFFFAOYSA-N 392.480 4.642 0 40 GJAB C[C@@H]1C(=O)N(Cc2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 1385977 GEWYNZJJVBJZCD-OAHLLOKOSA-N 392.405 4.547 0 40 GJAB COc1c(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)ccc2ccccc12 1409983 KVTCELVAHDCFKM-UHFFFAOYSA-N 396.874 4.591 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2OC(C)=O)C1 2557218 BQIBBYLXJDSLIR-CULVSFGYSA-N 376.537 4.893 0 40 GJAB biogenic O=C(Nc1ccc(F)cc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2582941 WSVXSPJFKVBMET-UHFFFAOYSA-N 377.371 4.885 0 40 GJAB COc1ccc(-c2csc(NC(=O)Cc3coc4cc(OC)ccc34)n2)cc1 3374278 NVIZFRZVGQEICM-UHFFFAOYSA-N 394.452 4.755 0 40 GJAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Cc1ccc(Cl)cc1 4033105 OLXYZKANVGVZLA-UHFFFAOYSA-N 376.847 4.539 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2c(C)ccc3c2N[C@@H]2Cc4ccccc4[C@@H]32)cc1 4114311 DLDDWBXKFOARQU-RTWAWAEBSA-N 391.492 4.553 0 40 GJAB CCn1c(SCc2cn3cccc(C)c3n2)nnc1-c1ccc(Cl)cc1 4274936 RUKZINDYPMOZPL-UHFFFAOYSA-N 383.908 4.867 0 40 GJAB O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)Nc1ccc(Cl)cc1 4535331 YHFAUISGZVIZHQ-UHFFFAOYSA-N 380.753 4.678 0 40 GJAB COc1ccc(-c2nc3cccc(C)n3c2NCCc2ccccc2)cc1OC 4848469 YHSKUEXGFHFUHY-UHFFFAOYSA-N 387.483 4.982 0 40 GJAB CC1(C)Cc2c(c(-c3ccco3)nc3oc(C(=O)c4ccccc4)c(N)c23)CO1 5261003 ATLXWYXNDMYMGL-UHFFFAOYSA-N 388.423 4.752 0 40 GJAB Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@@H]2c2ccsc2)c(C)c1 5452250 AVIXSBHWLREFQO-QFIPXVFZSA-N 390.508 4.794 0 40 GJAB Cc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(F)cc1 5559857 UHUWEFMWMJHADF-UHFFFAOYSA-N 393.466 4.691 0 40 GJAB Cc1cccc(OCC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 6053203 LLMQRVJAIHDXCU-UHFFFAOYSA-N 382.529 4.937 0 40 GJAB COC(=O)c1ccc(C)c(NC(=O)CCCSc2ccc(Cl)cc2)c1 6235783 FBIFZLIUZPMSMX-UHFFFAOYSA-N 377.893 4.946 0 40 GJAB Cc1c(F)cccc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 6389817 LOEROJRLROAYJF-UHFFFAOYSA-N 378.403 4.673 0 40 GJAB C[C@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(=O)c1ccc(F)cc1 7137685 CWUQIZPKGXTYRA-NEPJUHHUSA-N 390.411 4.851 0 40 GJAB Cc1c(O)ccc2c(CN[C@H](C)c3ccc(Cl)cc3Cl)cc(=O)oc12 7267710 QMSIHMMLWTZRMG-LLVKDONJSA-N 378.255 4.965 0 40 GJAB O=C(O)c1ccc(CNCc2ccc(-c3ccc(Br)cc3)o2)cc1 7524926 AQPKBPKFIRLWLZ-UHFFFAOYSA-N 386.245 4.697 0 40 GJAB COc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1Cl 8393451 XYGHUZNRUXBSRL-UHFFFAOYSA-N 384.867 4.804 0 40 GJAB C[C@H](NC(=O)Cc1csc(SCc2ccc(F)cc2)n1)c1ccccc1 8853972 AFEHVHVSQFWCFB-AWEZNQCLSA-N 386.517 4.994 0 40 GJAB O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 9063654 CPXGOLOIOJADEN-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3c(F)cccc3F)ccc1O2 9135342 SIULDVHFKRAXKH-UHFFFAOYSA-N 394.377 4.908 0 40 GJAB COc1ccc2c(CC(=O)N[C@@H](c3ccccc3)c3cccs3)coc2c1 10220083 CFEFMRUPGJKQDW-QFIPXVFZSA-N 377.465 4.951 0 40 GJAB COc1ccccc1NC(=O)[C@@H](C)Sc1cc(-c2ccccc2)nc(C)n1 12017020 LRRRXYZPFSRSGW-CQSZACIVSA-N 379.485 4.580 0 40 GJAB CCOc1ccc(NC(=O)c2cnc3c(C(F)(F)F)cccc3c2O)cc1 12421858 KMUWIRAFWNILON-UHFFFAOYSA-N 376.334 4.610 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 13058378 UDTOISRLGPLELZ-GFCCVEGCSA-N 379.287 4.655 0 40 GJAB Cc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C)cc1Cl 13635587 KVYHWAOSTCVCJF-UHFFFAOYSA-N 391.862 4.622 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2ccc(OC(F)F)c(OC)c2)c(OC)c1 15367162 BBTFJYCVMITQNY-KRWDZBQOSA-N 393.430 4.651 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(-c2nccs2)cc1 17590819 LTJCFMOEKVPAJI-UHFFFAOYSA-N 388.496 4.924 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 20144664 HSYIQUVRLAAFST-MRVPVSSYSA-N 388.634 4.751 0 40 GJAB Cc1cc(C)cc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)c1 20197036 NYNCYHROZXFGPS-UHFFFAOYSA-N 394.456 4.608 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)C1(S(=O)(=O)c2ccccc2)CCCC1 22240103 PKMCCBDCVYYCPZ-UHFFFAOYSA-N 398.311 4.719 0 40 GJAB CC(C)C(=O)N1CCCc2cc(NC(=O)NCc3ccc(Cl)cc3)ccc21 22504366 FOBHVKSJPVUWNJ-UHFFFAOYSA-N 385.895 4.597 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 23012150 JZGQWYMDTGXDDX-UHFFFAOYSA-N 375.428 4.982 0 40 GJAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(CN2CCCCC2)cc1 25712913 IZSPHQUPWUGWFS-HSZRJFAPSA-N 379.548 4.769 0 40 GJAB COc1ccc(N(Cc2cccs2)S(=O)(=O)c2cc(C)sc2C)cc1 26543217 NEFOLSCLJXNOHV-UHFFFAOYSA-N 393.555 4.831 0 40 GJAB CN(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)[C@@H]1CCCc2ccccc21 32898768 WHJUWZNMBMKBAD-HSZRJFAPSA-N 396.494 4.629 0 40 GJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1Cl 41077055 AATNAAMEOAGZBL-UHFFFAOYSA-N 383.879 4.934 0 40 GJAB CN(C)c1ccccc1NC(=O)N1CCC(c2nc3ccccc3s2)CC1 44082095 KTUHTAMVDGIAJW-UHFFFAOYSA-N 380.517 4.774 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 44904184 RUIFNLNJLRQDRA-IBGZPJMESA-N 388.895 4.666 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nc(C(F)(F)F)nc2ccccc12 45660862 RFCIULZUDWWHMO-LBPRGKRZSA-N 383.439 4.532 0 40 GJAB Cc1cccc(NC(=O)NCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)c1 58478569 UGIADPOILINFSI-NRFANRHFSA-N 393.531 4.778 0 40 GJAB Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc(-c2cccc(F)c2)n1 67257345 STNXYYSZHZSARQ-UHFFFAOYSA-N 387.867 4.975 0 40 GJAB CCCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1 67339615 NCDZHSGLORXIDP-PKNBQFBNSA-N 379.412 4.660 0 40 GJAB O[C@H](CSc1nnc2sc3ccccc3n12)c1ccccc1C(F)(F)F 84501690 CFDWEZUMXYBWMY-CYBMUJFWSA-N 395.431 4.789 0 40 GJAB O=C(NC1CCC(c2ccccc2)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 84525481 LYUXXDUDWIRYLA-UDJZJCJKSA-N 382.479 4.635 0 40 GJAB CO[C@@H](C)c1cccc(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccccc2)c1 89905237 UECPKRVVCLUCDU-OXJNMPFZSA-N 382.504 4.626 0 40 GJAB CC(C)COc1cccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)c1 107642617 JZCLBUNQZXJMBW-UHFFFAOYSA-N 394.496 4.707 0 40 GJAB COc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C 222784958 QIUDVENJKCXLTQ-UHFFFAOYSA-N 379.431 4.652 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 222843967 NOYCBHVXXAZQKH-LSDHHAIUSA-N 388.895 4.583 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 222865749 RGOBUIVHJBOECD-VQTJNVASSA-N 396.947 4.908 0 40 GJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cccc2ccccc12 223544548 FNAFMADTSQCPMV-SFHVURJKSA-N 385.463 4.956 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 223746790 NTDBVOHTWOEHHV-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1cccc(C)c1C 223963648 OQKPUJPLIAIJLD-OAQYLSRUSA-N 383.532 4.954 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)NCc1cccc(CN2CCCC2)c1 224640631 ALFHYWJCCMYGHE-UHFFFAOYSA-N 391.342 4.838 0 40 GJAB O=C(CCSCc1ccccc1)NCc1cccc(CN2CCCCC2)c1 224676316 LWHLQFTYKZBJCG-UHFFFAOYSA-N 382.573 4.612 0 40 GJAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3)o2)c1 224897615 XYNWFMZCZPVAEV-UHFFFAOYSA-N 384.435 4.947 0 40 GJAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C(=O)OCC 225840629 OWYFGLAGAPXHHH-JOCHJYFZSA-N 393.524 4.822 0 40 GJAB Fc1cccc(C[n+]2cc(Br)cc(-c3nc4ccccc4o3)c2)c1 226308124 FOYPYXGDZDLYNB-UHFFFAOYSA-N 384.228 4.732 0 40 GJAB CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 409380857 JAUJPSDKDKXMHH-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB O=C1Cc2cc(CCCC(=O)Nc3ccccc3N3CCCCCC3)ccc2N1 519104749 QSWPWLPFYDMBKV-UHFFFAOYSA-N 391.515 4.523 0 40 GJAB O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CC[C@H](OC(F)F)C1 585080614 ONTVBKQBRDNBAE-VIFPVBQESA-N 393.242 4.571 0 40 GJAB C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)c1cc(O)nc2ccccc12 1544611848 UQMBXDGMAVCEMP-QFIPXVFZSA-N 398.865 4.970 0 40 GJAB COCc1ccc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)cc1 1615121237 NQWLEOGDJQAYKY-XMMPIXPASA-N 396.506 4.636 0 40 GJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 674119 UAPNKPGJTORZMR-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1cc(=O)oc2cc(OC(=O)COc3ccc(-c4ccccc4)cc3)ccc12 959352 QIRFSQPVLREUOL-UHFFFAOYSA-N 386.403 4.753 0 40 GJAB CCCCOC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 1747442 OWONGIIGDCASQL-ZJUUUORDSA-N 397.682 4.689 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 1871177 ZHRWTGQQFIGOKS-UHFFFAOYSA-N 397.500 4.705 0 40 GJAB CCCCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2799124 FFAKSMLEBRZOFX-GFCCVEGCSA-N 383.439 4.559 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ncc(C(F)(F)F)cc1Cl 3335733 IUPLGCYENAPOID-JTQLQIEISA-N 386.826 4.824 0 40 GJAB COc1ccccc1-c1nnc(SCc2cnc(-c3ccccc3)s2)n1C 3406589 YCGZETPUPRMNCH-UHFFFAOYSA-N 394.525 4.907 0 40 GJAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 4816519 PLRMZPUORWIHTI-GOTSBHOMSA-N 394.478 4.968 0 40 GJAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1Cl 4966431 UWKBQLJCXXMHKD-UHFFFAOYSA-N 385.920 4.768 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccco1 5156039 XBPOALPDUIGPFB-LJQANCHMSA-N 391.810 4.785 0 40 GJAB CCCCN(CCCC)C[C@H](CN(CC)CC)OC(=O)Nc1ccccc1 5973425 YNMMCCYCCHKNIQ-NRFANRHFSA-N 377.573 4.848 0 40 GJAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 6438665 QTBJJNCXYOERND-IBGZPJMESA-N 397.475 4.954 0 40 GJAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccccc1F 6535848 DXRPWGRFYUGMOQ-UHFFFAOYSA-N 394.789 4.532 0 40 GJAB CCc1cccc(C)c1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 6790299 ITPZIWYPYLRDNR-UHFFFAOYSA-N 383.451 4.509 0 40 GJAB Cc1cccc(Nc2ccccc2C(=O)NCCOc2ccccc2F)c1C 6832113 BMNUTKXIEDVLLW-UHFFFAOYSA-N 378.447 4.995 0 40 GJAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cccc(Cl)c1 6861986 HUNLXLRIFPMJFU-UHFFFAOYSA-N 382.297 4.730 0 40 GJAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c(OC)c1 8114998 XOEALSMFUVLSSH-RQZCQDPDSA-N 389.860 4.594 0 40 GJAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2C)n1 8476699 QQLRJNQYAMFNQL-UHFFFAOYSA-N 389.286 4.689 0 40 GJAB COCCN1C(=O)C(C)=C(C)[C@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 9669319 SGQRINZKJYDQTO-QHCPKHFHSA-N 390.483 4.710 0 40 GJAB CCOc1ccccc1CCCNC(=O)CSCc1ccccc1Cl 10110868 BQIHLYXYMYHZAW-UHFFFAOYSA-N 377.937 4.721 0 40 GJAB COc1cc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)cc(OC)c1OC 10120207 NJGLEWVAZBUDFQ-UHFFFAOYSA-N 384.432 4.505 0 40 GJAB COc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4ccc(Cl)cc4)c3C2)cc1OC 10338881 YXVZNLJSVUXVTF-HNNXBMFYSA-N 396.874 4.764 0 40 GJAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCc4sccc4C3)c2C)cc1 10923986 QMJLJRFFEAKPSN-CMDGGOBGSA-N 391.540 4.516 0 40 GJAB COc1ccc([C@@H]2CC(=O)Nc3ccsc32)cc1OCc1cccc(F)c1 12371396 UFSKTUNBJNLXFF-INIZCTEOSA-N 383.444 4.949 0 40 GJAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(F)c(F)c1 12762847 UWPVMRCYMWNVKF-NRFANRHFSA-N 384.451 4.613 0 40 GJAB Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](/C=C/c1ccccc1)C3 13610823 YIMXSPJUEGXCCS-QFQMRYFISA-N 380.451 4.558 0 40 GJAB CC(C)Cn1c(SCc2ncon2)nnc1-c1ccc(Cl)cc1Cl 14122260 URAFSPSJWRBOKP-UHFFFAOYSA-N 384.292 4.583 0 40 GJAB CCCCOC(=O)c1cccc(NC(=O)C2=Cc3cc(OC)ccc3OC=C2)c1 15838810 HUPFMJVAHZPJSU-UHFFFAOYSA-N 393.439 4.580 0 40 GJAB Cc1cc(-c2cnn(C)c2)cc(C2CCN(Cc3ccnc4ccccc34)CC2)n1 19692191 CWFWXSCNKSJSIX-UHFFFAOYSA-N 397.526 4.718 0 40 GJAB COc1ccc(CSCC(=O)NCCSCc2cccc(Cl)c2)cc1 20237777 YJSCQBBIRTWVMK-UHFFFAOYSA-N 395.977 4.631 0 40 GJAB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(Cl)cc1 21577172 UIDZZNBGXWHHSL-UHFFFAOYSA-N 391.899 4.596 0 40 GJAB CCN1C(=O)CCc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc21 22507272 ZNTWPAPTDVAVEY-UHFFFAOYSA-N 399.494 4.897 0 40 GJAB CC(C)(C)c1nc2cc(NC(=O)CCc3nnc(-c4ccsc4)o3)ccc2o1 32818769 WFQGGBZZZVMMOR-UHFFFAOYSA-N 396.472 4.808 0 40 GJAB CCC(=O)Nc1ccc(CNC(=O)CCc2cccc(Cl)c2Cl)cc1 32924584 QTWVZDYDAIQOEI-UHFFFAOYSA-N 379.287 4.591 0 40 GJAB O=C1NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)S1 33365630 XRSPZHGMGXNSKE-YBEGLDIGSA-N 381.844 4.517 0 40 GJAB COc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn23)cc1OC 35373566 QHGGKKWOHHZJJL-UHFFFAOYSA-N 385.427 4.638 0 40 GJAB COc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC 40096236 KWOHXMSNZREDKS-JTQLQIEISA-N 399.274 4.902 0 40 GJAB Cc1c(C(=O)N2CCCCC2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn12 40385104 INWJKFKQKIZZNY-UHFFFAOYSA-N 397.910 4.503 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44838093 IFAVBOJATUWBAG-UHFFFAOYSA-N 385.423 4.659 0 40 GJAB C[S@@](=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc1 53726137 GLGJLIFAASEXKX-DFHRPNOPSA-N 389.476 4.690 0 40 GJAB Cc1ccc(C)c(OCc2nnc(SCc3ccc(-n4cccn4)cc3)o2)c1 58371444 IIZMNWJYCZAKGZ-UHFFFAOYSA-N 392.484 4.743 0 40 GJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1csc(Nc2ccccn2)n1 62022545 UWMQBHIRVCIUGJ-UHFFFAOYSA-N 387.877 4.797 0 40 GJAB CCc1ccc(C(=O)c2ccccc2C(=O)Nc2cc(C(=O)O)ccc2F)s1 97036148 JACSSXKRHFHBSC-UHFFFAOYSA-N 397.427 4.631 0 40 GJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@H](c4ccccc4)C3=C(O)C2)cc1 102736706 XXKBAGGTVZPQQX-FOIQADDNSA-N 388.427 4.707 0 40 GJAB COc1ccccc1SCC(=O)N(C)c1ccc(Br)cc1C 121251666 VUJYVMJUSVQPAY-UHFFFAOYSA-N 380.307 4.521 0 40 GJAB COc1ccnc(CSc2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)C4(C)C)c1C 139085944 RUTMNCYLHDVUCJ-UHFFFAOYSA-N 395.528 4.705 0 40 GJAB CN(C(=O)c1ccc(-c2ccccc2F)o1)c1ccc(Br)nc1 173104896 IFFVTJTVFOEZFR-UHFFFAOYSA-N 375.197 4.520 0 40 GJAB CCOC(=O)c1cc(Br)c(OCc2cccc(F)c2)c(OCC)c1 216830909 QCTGLGKEHONBDV-UHFFFAOYSA-N 397.240 4.743 0 40 GJAB COC(=O)c1cn(C(=O)COc2c(C)cc(Cl)cc2Cl)c2ccccc12 216860736 LHSQLRWZPPPZCF-UHFFFAOYSA-N 392.238 4.762 0 40 GJAB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 219300612 ZERIMYXZWAVVLV-QGZVFWFLSA-N 393.487 4.594 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219319764 WMFVWKHKXQXPNP-SFHVURJKSA-N 399.878 4.514 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)cc1 219609885 YZABRCABSGFKGP-HXUWFJFHSA-N 375.896 4.645 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 222552696 PPWDABLNMSOHEE-UHFFFAOYSA-N 390.449 4.542 0 40 GJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1cccc(Br)c1 222580673 SEWDLBRBCSGKAW-UHFFFAOYSA-N 386.224 4.606 0 40 GJAB CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCC(C)C 223056791 YTNTUBXWDZUODE-QHCPKHFHSA-N 394.559 4.589 0 40 GJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)[nH]1 225358318 OAVOLYHEWPKQHO-NHCUHLMSSA-N 392.528 4.682 0 40 GJAB Fc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)c(F)c1 225368330 XJHDWXFFUHFVLR-UHFFFAOYSA-N 390.883 4.977 0 40 GJAB O=C(NCc1ccc(Oc2nccs2)cc1)c1cc(-c2ccccc2)on1 225647138 BTDAGSMTKFEPKU-UHFFFAOYSA-N 377.425 4.520 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(OC)c(OC)c1 225718916 LXJRDYGVXLDRQC-HNNXBMFYSA-N 394.924 4.804 0 40 GJAB O=C(Nc1ccc(Br)cc1F)c1cc2cc(Cl)ccc2oc1=O 226041508 VTYYHWUKKDLTRX-UHFFFAOYSA-N 396.599 4.600 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c(C)c1 243699492 PLTOGFHQUSJZCY-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cc1ccc(C(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCCN3C)cn1 257221961 DRHLMJNGDXTZSB-FIXSFTCYSA-N 377.532 4.610 0 40 GJAB Cc1ccc2c(c1)OC1(CCN(Cc3ccc(C)nc3)CC1)[C@H]1CCCO[C@H]21 257302678 SDVKOEFVNTZLRI-JTHBVZDNSA-N 378.516 4.593 0 40 GJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260812423 BFZAJVMNDAMSDN-AUSIDOKSSA-N 390.568 4.864 0 40 GJAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 408628039 PUKJOJRFUKLXSM-AWEZNQCLSA-N 387.936 4.846 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)CC[C@@H]2N1c1ccc(F)cc1 1615161138 VRHUPOPBRNDKFG-QRWLVFNGSA-N 388.433 4.624 0 40 GJAB CCn1cc([C@H](C)NC(=O)c2ccc(COc3ccccc3Cl)cc2)c(C)n1 654083 HFVGJCLSQSNCSV-HNNXBMFYSA-N 397.906 4.935 0 40 GJAB CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2 2417464 RPHMJXWONGRKII-QZTJIDSGSA-N 395.894 4.816 0 40 GJAB Cc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccc(Cl)cc2)cc1 2454421 BXGBLAKNHUUDHJ-LJQANCHMSA-N 383.904 4.917 0 40 GJAB CC(C)(C)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 3325951 GOFDKEFTPZPXFX-UHFFFAOYSA-N 390.528 4.596 0 40 GJAB CN(C)CCCN(C(=O)c1ccccc1Cl)c1nc2c(F)cccc2s1 4359753 RNBSOWTXBHHPMQ-UHFFFAOYSA-N 391.899 4.687 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)CCC2CCCCC2)cc1 4585509 GSWJEIHEAINGHZ-UHFFFAOYSA-N 389.499 4.993 0 40 GJAB C[C@@H]1CCCN(C(=O)CSc2nc(-c3cccs3)nc3ccccc23)C1 4601690 GHWSMPQJSIUOSR-CQSZACIVSA-N 383.542 4.709 0 40 GJAB Cc1coc2cc3oc(=O)c(CC(=O)NCc4ccc(Cl)cc4)c(C)c3cc12 4744228 NDUUHOIHKQIHQM-UHFFFAOYSA-N 395.842 4.668 0 40 GJAB CCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 4875241 HGCYSEXWPDONBL-UHFFFAOYSA-N 395.452 4.955 0 40 GJAB O=C(O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 5749953 LYHSADNNINVVLV-UHFFFAOYSA-N 394.814 4.543 0 40 GJAB CCc1cc2c(CSc3nnc(-c4ccc(C)cc4)o3)cc(=O)oc2cc1O 5864366 FNWSDRKJBQRWHP-UHFFFAOYSA-N 394.452 4.712 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 5948671 YXZKOHBYRXGKPR-UHFFFAOYSA-N 390.826 4.690 0 40 GJAB O=C(CSc1nc(-c2cccs2)n[nH]1)N(c1ccccc1)C1CCCCC1 6035341 ZNZUZIRQEHCHLP-UHFFFAOYSA-N 398.557 4.991 0 40 GJAB Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 6238646 IZEVEJTVRRTAAV-UHFFFAOYSA-N 379.843 4.897 0 40 GJAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccccc1 6630767 AICQOTKLJBFHEE-UHFFFAOYSA-N 376.456 4.715 0 40 GJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccccc3)n2C(C)C)cc1 6633956 UCNSVEGTMRENMQ-OAHLLOKOSA-N 381.501 4.898 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(-n3ccnc3)cc2)N1Cc1ccccc1 7128416 CHQCWNHXWAKDTF-HSZRJFAPSA-N 380.451 4.639 0 40 GJAB Cc1cc(-c2nnc(CSc3nc(C4CC4)n(-c4ccccc4)n3)o2)c(C)o1 7216161 GGFGBMWCORAAPT-UHFFFAOYSA-N 393.472 4.697 0 40 GJAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1Cl 7236304 WLTWUNDOAHVWLO-UHFFFAOYSA-N 380.300 4.993 0 40 GJAB O=C(Oc1ccccc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7929478 NZNYTBXFDXUJNM-JTQLQIEISA-N 384.646 4.605 0 40 GJAB CCS(=O)(=O)c1ccc2oc(/C=C/c3ccc(Br)cc3)nc2c1 8321080 IHTOCQQBAGAASR-BJMVGYQFSA-N 392.274 4.554 0 40 GJAB Cc1cc(C)cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1 8335507 OKYCLLVOBRYRGM-OAHLLOKOSA-N 384.545 4.867 0 40 GJAB C[C@H](Sc1nnc2n1CCCCC2)c1nnc(-c2cccc(Cl)c2)o1 9217895 JWOPTUMOUDWUEE-NSHDSACASA-N 375.885 4.561 0 40 GJAB COCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@@H](c1cccs1)C3 9290259 CCTCZXLUUXAYDG-HNNXBMFYSA-N 389.480 4.517 0 40 GJAB COc1ccc(C2=NN(c3nc(C)cs3)[C@H](c3ccc(OC)cc3)C2)cc1 9303424 WKUMZSXDAZKWGK-FQEVSTJZSA-N 379.485 4.824 0 40 GJAB O=C1CCC[C@@H]1Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 9592999 FTXYCCAXNNEGQI-SFHVURJKSA-N 399.903 4.713 0 40 GJAB O=C(NC1CC1)[C@@H](Oc1ccc(Cl)cc1Br)c1ccc(F)cc1 12475560 WHTODDQOIXTFJY-INIZCTEOSA-N 398.659 4.640 0 40 GJAB CCCn1c(NC(=O)c2sc3nc(C)nc(C)c3c2C)nc2ccccc21 12544650 FQJHKVLFSOQHGI-UHFFFAOYSA-N 379.489 4.629 0 40 GJAB O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1c1ccc(OC(F)F)cc1 12608166 ASUSDWZGIHMCLU-LJQANCHMSA-N 382.366 4.765 0 40 GJAB CC(=O)Nc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)s1 12748178 YPPCQMPFVLZRIM-UHFFFAOYSA-N 378.497 4.592 0 40 GJAB CC(=O)O[C@H]1C=C2CC[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 12869095 YSKYSQZEVNUXOX-OZZKZOCUSA-N 386.532 4.957 0 40 GJAB O=C(CCc1nc2ccccc2s1)NCCc1ccc(C(F)(F)F)cc1 14201683 RLCHHOIPVDBVJI-UHFFFAOYSA-N 378.419 4.607 0 40 GJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc(Cl)c1 17991586 KHDNWQCKSRZGQF-JQBYJRRVSA-N 385.850 4.737 0 40 GJAB biogenic CCOc1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 18184438 VBFFKCIXQSMPPY-UHFFFAOYSA-N 382.485 4.610 0 40 GJAB O=C(NCCc1csc(-c2ccncc2)n1)C(c1ccccc1)c1ccccc1 19942511 ZQZBALJLUSHINX-UHFFFAOYSA-N 399.519 4.696 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn23)cc1 21833940 GHDUKFWPMLLGNJ-UHFFFAOYSA-N 399.450 4.530 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1cc(C)c(C)cc1C 22540360 KIIYDIGWIFYEOC-OAHLLOKOSA-N 381.925 4.703 0 40 GJAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N[C@H](C)C3CC3)c12 25773634 XELBQSOLUZWFSO-SNVBAGLBSA-N 389.377 4.745 0 40 GJAB Cc1cccc(-n2c(S[C@@H]3CCCCCC3=O)nc3ccccc3c2=O)c1 28188256 MDTUDBOGFSCFBE-HXUWFJFHSA-N 378.497 4.688 0 40 GJAB COc1ccc(S[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc1 30865750 MGYKZKMHENMCAC-CYBMUJFWSA-N 381.950 4.738 0 40 GJAB CN(Cc1ccsc1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 32747139 JFCOUOTYPKVCSC-UHFFFAOYSA-N 399.825 4.878 0 40 GJAB Cc1c(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)n(C)c2ccc(Cl)cc12 35322762 GPKIHDULMOYTJB-UHFFFAOYSA-N 396.853 4.776 0 40 GJAB O=C(Nc1ccccc1OC(F)(F)F)c1ccc(OCc2ccncc2)cc1 40059732 VTEDUQXGZZYNPV-UHFFFAOYSA-N 388.345 4.812 0 40 GJAB O=C(c1cc(-c2ccc3c(c2)CCCC3)on1)N1CCSc2ccccc21 41155163 JPOZREBIQJSAJX-UHFFFAOYSA-N 376.481 4.973 0 40 GJAB O=C(CCc1ccc(Cl)s1)NC1CCN(Cc2ccc(Cl)cc2)CC1 45007168 JCQWHWBZQJHXCB-UHFFFAOYSA-N 397.371 4.768 0 40 GJAB COc1ccc(OC)c(-c2cc(=O)c3cc(Cl)cc(Br)c3o2)c1 48057027 QJOLITICRMTMTL-UHFFFAOYSA-N 395.636 4.893 0 40 GJAB biogenic O=C(Nc1cccc(N2CCOC2=O)c1)N[C@@H](c1cccs1)C1CCCC1 48300411 MDXBAEXSEUVYBI-GOSISDBHSA-N 385.489 4.758 0 40 GJAB O=C(NCCc1cccs1)c1cc2ccc(OCc3ccccc3)cc2[nH]1 58016184 FTSIPMNCCBSHTF-UHFFFAOYSA-N 376.481 4.781 0 40 GJAB Cc1cc2oc(=O)cc(CN3CCN(c4ccccc4F)CC3)c2cc1C(C)C 58165798 NLWYQPYKHRMXPN-UHFFFAOYSA-N 394.490 4.686 0 40 GJAB Cc1ccc(C)n1C1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 65543102 GKCBIQYIGWNQIA-UHFFFAOYSA-N 382.895 4.626 0 40 GJAB CN(C)c1nc2sc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc2s1 65552310 UGCUROVRWAZHLH-UHFFFAOYSA-N 387.317 4.565 0 40 GJAB Cc1c(C(=O)Nc2cccc3c2ccn3CCC(C)C)sc2nc[nH]c(=O)c12 71288269 UJYRAIUSJHWAOK-UHFFFAOYSA-N 394.500 4.546 0 40 GJAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353861 CACKOLOLALBKRM-FQEVSTJZSA-N 389.474 4.535 0 40 GJAB CCc1nnc(Nc2cccc([C@@H]3CCCN(CCc4ccccc4)C3)n2)s1 72375937 DFDAQNQVMCWFAR-GOSISDBHSA-N 393.560 4.661 0 40 GJAB CN(C)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)cc1 78654496 PDEIFFYSURANGA-XMMPIXPASA-N 386.495 4.597 0 40 GJAB Cc1cccc(C)c1OC1CCN(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)CC1 78710921 WNHYYEFZCMIMAN-SFTDATJTSA-N 382.479 4.551 0 40 GJAB COc1ccc(CCC(=O)N[C@H](Cc2cccc(O)c2)c2ccccc2)cc1F 83953137 CLBQTQYKMPBCDL-JOCHJYFZSA-N 393.458 4.573 0 40 GJAB Nc1c(Cl)cc(NC(=O)c2ccc(N3CCCCCC3)nc2)cc1Cl 84425473 BISSUFZFYXZLNQ-UHFFFAOYSA-N 379.291 4.603 0 40 GJAB C[C@H](NC(=O)CSCc1ccccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1C2 103122299 FUQCFIAXZNMTAB-NHIYQJMISA-N 382.367 4.623 0 40 GJAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccccc1F 219024956 POWKONOBSXZGEN-INIZCTEOSA-N 383.488 4.796 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219600998 SNDMSTPYWNCKND-GOSISDBHSA-N 399.878 4.514 0 40 GJAB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc2c(c1)CCCC2 223138889 TYCIYZOHXLAOSY-GOSISDBHSA-N 393.936 4.657 0 40 GJAB COc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1C(C)C 223742337 DEWDQPUJQKOUNF-UHFFFAOYSA-N 383.513 4.793 0 40 GJAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COCc1ccccc1 224457725 ARCPFFYKSVWOKA-UHFFFAOYSA-N 375.468 4.650 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 225075052 GHMCMSRXKCQBDC-NHCUHLMSSA-N 394.559 4.568 0 40 GJAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)COc1cccc(C(F)(F)F)c1 225813794 QXBGYOUWYQJQQU-OAHLLOKOSA-N 379.422 4.957 0 40 GJAB COc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br 408558274 SQOPJRGECOBROL-MRXNPFEDSA-N 398.709 4.890 0 40 GJAB CCCC(=O)NC(=S)NCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 408623259 RHQUTRGXRCUICZ-UHFFFAOYSA-N 395.528 4.909 0 40 GJAB O=S(=O)(c1ccccc1)N(Cc1cccc(Cl)c1)c1cccc(F)c1 408626044 KLQJKPVWNPUHFA-UHFFFAOYSA-N 375.852 4.875 0 40 GJAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408667149 QIBBILNHFPGTTC-SFHVURJKSA-N 391.854 4.966 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1Cl 408706358 GPQNJKVHCDBBDF-CYBMUJFWSA-N 384.328 4.810 0 40 GJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCC(C)C)cc3)S2)cc1 408768254 DGDKREOBBHRHGK-WLJFKGHSSA-N 382.529 4.883 0 40 GJAB COCCn1c(C)cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 409128237 DHUMCYATRRZTEF-BOPFTXTBSA-N 390.892 4.646 0 40 GJAB O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@@H]1CC[C@H]1c1ccc(F)cc1 528365880 GNNXVWQLRRWILM-JKSUJKDBSA-N 387.361 4.946 0 40 GJAB COc1ccc(CN2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)cc1 585100676 SJEZFLVRCRHDFY-DEOSSOPVSA-N 384.564 4.623 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2cc3c(C)c(Br)ccc3[nH]2)cc1 1595104420 ULUXXNLSURJYFY-GFCCVEGCSA-N 387.277 4.738 0 40 GJAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc(C)c1C 655505 DYTPSTOAQUUSQM-UHFFFAOYSA-N 381.881 4.521 0 40 GJAB CC(=O)COc1ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc2c1 957160 GEJMRZSGJUWPEY-UHFFFAOYSA-N 392.329 4.880 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CC[C@@H](CC)C2 1102467 LIPCXWZKLBCXHH-CYBMUJFWSA-N 387.501 4.701 0 40 GJAB CCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1 1368630 CYLXYPXMRXCLCA-FGZHOGPDSA-N 393.531 4.793 0 40 GJAB NC(=O)[C@@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1 1401090 ZUBVWWQYGHUYKT-KRWDZBQOSA-N 390.295 4.552 0 40 GJAB C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)c1ccccc1 1771459 CBYLONQVHNNZGI-LLVKDONJSA-N 389.274 4.863 0 40 GJAB CCCCCCc1cc2c3c(c(=O)oc2cc1O[C@@H](C)C(=O)OCC)CCC3 1775991 RBEZBRYHOOWITJ-HNNXBMFYSA-N 386.488 4.735 0 40 GJAB Cc1ccccc1Cc1nnc2sc(Cc3ccc(Cl)cc3Cl)nn12 2182920 JRFBXGWZRNHWHV-UHFFFAOYSA-N 389.311 4.983 0 40 GJAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(N4CCC(C)CC4)c23)CO1 2426028 IUSOGWAZXDEERA-IBGZPJMESA-N 377.579 4.891 0 40 GJAB C[C@@]1(c2ccccc2Cl)NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 2616789 ALWMYYJPJUTOMP-KRWDZBQOSA-N 383.662 4.614 0 40 GJAB COc1ccc(CN(CC[C@@]2(C(C)C)CCOC(C)(C)C2)C(C)=O)cc1OC 4046461 YLLVUYCHRPRTOE-HSZRJFAPSA-N 391.552 4.674 0 40 GJAB biogenic Cc1nc(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2n1 4240478 DGSHGDZNRAGSCB-AUUYWEPGSA-N 377.513 4.613 0 40 GJAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(Br)cc1 4406896 RSQLZEBLXKJNCQ-UHFFFAOYSA-N 396.697 4.710 0 40 GJAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc2ccccc2c(=O)o1 4540189 VIPUZEGDLQDWGV-UHFFFAOYSA-N 396.855 4.746 0 40 GJAB COc1cc(C(=O)Nc2cccc3ccccc23)cc(Br)c1OC 4741093 NKFDJDPPNIAOEB-UHFFFAOYSA-N 386.245 4.872 0 40 GJAB O=C1C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)OCCc1ccccc1 4886776 BLWXWRNPYHUOTD-HVCNVCAESA-N 384.475 4.929 0 40 GJAB Cc1ccc(CNC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1 4941123 FHGJKLIRFHOXRG-UHFFFAOYSA-N 390.874 4.621 0 40 GJAB O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)Nc1ccccc1F 5184510 GPPWAHOMMNUZPN-UHFFFAOYSA-N 381.476 4.621 0 40 GJAB Cc1cc(OCCCCCCCCCCOc2cc(C)oc(=O)c2)cc(=O)o1 5538988 LZWKUABNTHAXHT-UHFFFAOYSA-N 390.476 4.788 0 40 GJAB COC(=O)c1c(NC(=S)NCc2ccc(Cl)cc2)sc2c1CCCC2 6288190 WZBBSYCHXUTYGM-UHFFFAOYSA-N 394.949 4.554 0 40 GJAB CCOc1ccc(N(CC(=O)c2ccc(C)cc2C)C2=NCCCS2)cc1 6870372 DNMYIEFTOHBMMC-UHFFFAOYSA-N 382.529 4.884 0 40 GJAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1cc(Cl)ccc1Cl 7294080 LUGAWZJCCVQIQY-LLVKDONJSA-N 395.311 4.849 0 40 GJAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3ccc(Cl)cc3Cl)o2)cc1 7398100 QNKJSZOJWCDWFJ-JTQLQIEISA-N 393.226 4.970 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1 7491159 CIIZJXNKVQYDDV-UHFFFAOYSA-N 378.255 4.515 0 40 GJAB O=C(O)/C(=C/c1ccc(Cl)cc1)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 7603278 FBXVBQCORWIQFN-ZROIWOOFSA-N 392.267 4.996 0 40 GJAB Cc1noc(C)c1CSCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 8230885 FQSFGDQBARANGR-UHFFFAOYSA-N 398.532 4.647 0 40 GJAB COc1ccc(CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C2CC2)cc1 8268423 DIUSUEPNIQQKMP-UHFFFAOYSA-N 385.463 4.731 0 40 GJAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(OC)c1OC 8404484 KMSDBPUCBYUAHK-SNVBAGLBSA-N 384.259 4.510 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)c2)cs1 8855620 YEYKBCZJZVNUOY-UHFFFAOYSA-N 386.860 4.795 0 40 GJAB COc1ccc(Nc2nc(NC3CCCCC3)nc3c2cnn3C)cc1Cl 9212237 BJLNVMZQEIVCCH-UHFFFAOYSA-N 386.887 4.514 0 40 GJAB COc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 9356578 YTFKFPRRHIADQE-UHFFFAOYSA-N 394.283 4.697 0 40 GJAB CN(CCCNC(=O)c1sc2cc(F)ccc2c1Cl)Cc1ccccc1 9982485 PDYHPJBJBYQOBT-UHFFFAOYSA-N 390.911 4.946 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c(C)c1 10500034 DLWKOZRINHKFOB-UHFFFAOYSA-N 393.512 4.516 0 40 GJAB Cc1cc(C)cc(-n2nnnc2SCc2nc(-c3cccs3)oc2C)c1 11057034 WVCUNSXZODGXSH-UHFFFAOYSA-N 383.502 4.596 0 40 GJAB Cc1cc(C)nc(Nc2cccc(NC(=O)COc3ccc(Cl)cc3)c2)n1 11640342 PPAKFRXXHJPJHQ-UHFFFAOYSA-N 382.851 4.508 0 40 GJAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(C)cc2)OC3=O)c1 11666567 IVLSRTLQVRFJDQ-QHCPKHFHSA-N 399.446 4.904 0 40 GJAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCc1cccnc1 12325039 MXMQXSWENVNUJP-UHFFFAOYSA-N 378.284 4.750 0 40 GJAB Cc1sc2nc(CN(C)Cc3cccc(Cl)c3Cl)nc(N)c2c1C 12563426 MHYYVXATFJQHBZ-UHFFFAOYSA-N 381.332 4.829 0 40 GJAB O=C(Nc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1)c1cccs1 12874668 XXEYLEOIONHCDS-UHFFFAOYSA-N 388.492 4.930 0 40 GJAB COc1cc(C)c(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1OC 12924626 HTOKGISGKNJINB-UHFFFAOYSA-N 396.491 4.714 0 40 GJAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2cccs2)cc(Cl)c1OC 13071481 NJFWYNLRAMELDC-KIUWMYQTSA-N 377.893 4.796 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1c(F)cccc1Cl 13695050 RJDKTHQOCWRQQI-UHFFFAOYSA-N 386.854 4.811 0 40 GJAB O=C(Nc1ccc(NC(=O)[C@@H]2CC=CCC2)c(C(F)(F)F)c1)c1ccco1 14809750 QUZHEXFNESFTLI-GFCCVEGCSA-N 378.350 4.846 0 40 GJAB Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@H](c3ccsc3)C2=O)c1C 15412724 GBFQESYQEPFMKR-OAQYLSRUSA-N 394.471 4.625 0 40 GJAB COP(=O)(OC)c1nc(-c2cccs2)oc1NCc1ccccc1Cl 16752208 VQRIFLDXXPREIK-UHFFFAOYSA-N 398.808 4.780 0 40 GJAB CC[C@H](C)Nc1nc(Nc2ccc(OC)cc2)c2cnn(-c3ccccc3)c2n1 17268824 WXCMCOPADIDFGI-HNNXBMFYSA-N 388.475 4.778 0 40 GJAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(Cc3ccc(OC)cc3)CC2)C1 19712783 VOMOTSJWAPDTAX-UPVQGACJSA-N 394.559 4.560 0 40 GJAB Cc1c(C(=O)Nc2ccccc2Cl)nnc2c(-c3ccc(Cl)cc3)cnn12 19817104 STABMMAMYNJWAD-UHFFFAOYSA-N 398.253 4.659 0 40 GJAB N=c1n(CCCOc2ccccc2)c2ccccc2n1Cc1ccccc1F 19901279 YKDXINNUSOMVQA-UHFFFAOYSA-N 375.447 4.579 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)ccc1Cl 20111165 QVCBBHRFXWINPF-CQSZACIVSA-N 375.852 4.540 0 40 GJAB O=C(c1cc(-c2ccccc2)on1)N(Cc1cccc(F)c1)Cc1ccco1 21524141 GMBZANOORKTUDX-UHFFFAOYSA-N 376.387 4.916 0 40 GJAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 24092441 YTOTWLLOUCUXDI-UHFFFAOYSA-N 381.435 4.570 0 40 GJAB Cc1ccc(C)c(NC(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)c1 32609840 GYZHZFFPBJMMPU-UHFFFAOYSA-N 382.439 4.936 0 40 GJAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccn(-c2ccccc2)n1 33164885 RGBHYPTYXRJNIX-UHFFFAOYSA-N 395.768 4.719 0 40 GJAB Cc1ccc(CCCNC(=O)c2ccccc2SCc2nc(C)no2)c(C)c1 40050877 FZLHETUGAZBNNF-UHFFFAOYSA-N 395.528 4.650 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)n[nH]2)c(OC)c1 57412977 VVFHUKLVOBLCTK-UHFFFAOYSA-N 392.242 4.653 0 40 GJAB Cc1cc(C)n2cc(CSc3nc(C(F)(F)F)nc4ccccc34)nc2n1 58366055 CCGLXRUFHOFVEW-UHFFFAOYSA-N 389.406 4.600 0 40 GJAB CCC[C@@H](NC(=O)CN(C)C(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1 60378385 YIHZKNFQZVDLOC-OAHLLOKOSA-N 388.430 4.530 0 40 GJAB CCn1cc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)cn1 71785081 OYOBEWYVPOOXAW-IGZBYKAFSA-N 378.516 4.519 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCCc2ccc(Cl)cc2)cc1 72329005 UHXIAMDNFMECSA-UHFFFAOYSA-N 397.906 4.882 0 40 GJAB Cc1nc(-c2ccc(Cl)c(Cl)c2)n(Cc2nc(-c3ccsc3)no2)n1 78875234 FBKHWVAZRPPRJN-UHFFFAOYSA-N 392.271 4.720 0 40 GJAB CO[C@@H](C)c1cccc(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)c1 89905235 UECPKRVVCLUCDU-JXFKEZNVSA-N 382.504 4.626 0 40 GJAB O=C(c1ccc(Br)o1)N(CCc1cccs1)Cc1ccoc1 90612361 ZQRXQGFSALBQJO-UHFFFAOYSA-N 380.263 4.582 0 40 GJAB Cc1nnc(S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)O)o1 211534998 IDLVSXGBZMZJBH-ZSOIEALJSA-N 396.346 4.875 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc2ccccc12 219040485 RJALKKUWJSPDCN-SFHVURJKSA-N 377.484 4.755 0 40 GJAB COc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c1 223342890 CNCIZORPHNVTGY-SJORKVTESA-N 385.504 4.780 0 40 GJAB Cc1c(Br)cnc(NC(=S)NCCCc2ccccc2)c1Cl 223961635 CLLYRORXBIYVOZ-UHFFFAOYSA-N 398.757 4.725 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)ccc1Cl 224183664 BZGMAMGJXATTPP-AWEZNQCLSA-N 382.287 4.573 0 40 GJAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2F)cc1C 225178337 YBCGBFOYMQVIMT-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(CC2CC2)CC1 257200517 ADQSRBZSYYTBCL-UHFFFAOYSA-N 396.600 4.976 0 40 GJAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 408620515 GXHWKNIIKSJRGJ-UHFFFAOYSA-N 386.407 4.946 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)OC)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 408625093 WHGPWRAPZPTTBR-OPXVNJCFSA-N 391.467 4.556 0 40 GJAB COC[C@H](NC(=O)CCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 605277802 QQHXVABFQXIOPD-KRWDZBQOSA-N 385.813 4.795 0 40 GJAB Cc1nnc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)s1 664567624 ARBATLUSOHVJGT-ZDUSSCGKSA-N 384.480 4.555 0 40 GJAB COCC1(C2CCC2)CN(C(=O)Nc2ccccc2-c2c(F)cccc2F)C1 666813312 YUFRUZBEXLBRBE-UHFFFAOYSA-N 386.442 4.912 0 40 GJAB Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCC([C@@H]2CCCCO2)CC1 667043481 FOFNWHVDTRAIIE-QHCPKHFHSA-N 393.531 4.794 0 40 GJAB CC(C)NC(=O)[C@]12CC[C@](C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C 703815 OXCXQTMZFZLXBR-UXHICEINSA-N 392.330 4.790 0 40 GJAB CC(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1c(C)cccc1C 873523 PSDQLKZBWRCINW-UHFFFAOYSA-N 379.485 4.558 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1 1518574 HFXQLHGLIVTXGG-UHFFFAOYSA-N 380.256 4.814 0 40 GJAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(Br)c3n2)s1 2786356 KRSDJXZWMCKGJK-UHFFFAOYSA-N 376.201 4.856 0 40 GJAB NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1 3405679 XKNGIVBGJJMQLT-UHFFFAOYSA-N 399.519 4.843 0 40 GJAB Cc1ccc2c(COc3ncnc4sc5c(c34)CCCC5)cc(=O)oc2c1 3427668 QGKIXRRFMPTNJA-UHFFFAOYSA-N 378.453 4.564 0 40 GJAB O=C(COc1ccccc1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 4487817 QGGUDGNATCFLDG-UHFFFAOYSA-N 386.407 4.703 0 40 GJAB Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)cc3)co2)n1 4518831 XLPXQZQMQINCDF-UHFFFAOYSA-N 393.873 4.570 0 40 GJAB O=C(CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)N1CCCC1 5699252 AAJGQDWYOURBDM-UHFFFAOYSA-N 378.419 4.931 0 40 GJAB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1cccc(Cl)c1 6329577 IZLODJCAABBTLM-NDENLUEZSA-N 389.886 4.971 0 40 GJAB CCCCc1ccc(Nc2nnc(SCC(=O)NC(C)(C)C)s2)cc1 6650601 SIGGRNAZILGQJA-UHFFFAOYSA-N 378.567 4.631 0 40 GJAB COc1cc(CNc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1 6965549 TYDJXBRDXDJOCI-UHFFFAOYSA-N 390.483 4.942 0 40 GJAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 6987322 QTYLFZMXPMLNRA-UHFFFAOYSA-N 390.527 4.608 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(N2CCCC2=O)c1 6987644 XQJAPQNLYNRXTJ-UHFFFAOYSA-N 384.479 4.974 0 40 GJAB C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 7554583 FDWYTTUXNGQTBD-RQDOONKYSA-N 398.311 4.877 0 40 GJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(N2CCCC2=O)c1 7910977 GIVUBENMPCCGTL-UHFFFAOYSA-N 386.451 4.645 0 40 GJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(N2CCCC2=O)c1 7921997 UXJSVQGIVJALNL-UHFFFAOYSA-N 397.887 4.843 0 40 GJAB Cc1ccn2c(-c3nnc(SCc4ccc(Cl)cc4)n3C)c(C)nc2c1 8382937 XYBMFSKPEQVPTA-UHFFFAOYSA-N 383.908 4.692 0 40 GJAB COC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 8383061 IJBXTPLNHFCJFC-UHFFFAOYSA-N 393.826 4.610 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1 8390632 CFSZHQRUHYISLZ-HXUWFJFHSA-N 394.496 4.837 0 40 GJAB CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 9063441 KRTCSWGKMGFSKG-UHFFFAOYSA-N 386.923 4.978 0 40 GJAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc2ncccc12 9419692 KSBNOZWCOQELMG-UHFFFAOYSA-N 378.819 4.510 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Nc2ccc(C(N)=O)cc2)c2ccccc2)cc1Cl 9913252 ZUILXKRCBZLWBR-FQEVSTJZSA-N 393.874 4.539 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2nc3ncccc3cc2-c2ccccc2)c1 11695924 MNCZEXWRHVTEQV-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)cc1C 11914543 FXTHMGLSLSHXOH-UHFFFAOYSA-N 380.875 4.964 0 40 GJAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(N)n(CCC2=CCCCC2)c1C 12372585 ZFKXQPSZXVVXTA-UHFFFAOYSA-N 376.497 4.550 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1cn2cccc(C)c2n1 12520140 RFWOLODFNUQOMA-UHFFFAOYSA-N 399.809 4.756 0 40 GJAB CCCc1ccc(-c2csc(NC(=O)c3ccc(-n4ccnc4)nc3)n2)cc1 12781911 IGVAIKSFOWAHRH-UHFFFAOYSA-N 389.484 4.596 0 40 GJAB O=C(CCSCc1cc(Cl)c2c(c1)OCCO2)Nc1cccc(F)c1 12912747 WAMAGGVEOAVOPF-UHFFFAOYSA-N 381.856 4.512 0 40 GJAB COc1ccc(CN2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 19564329 LJDFZTNLTCQQAO-HNNXBMFYSA-N 387.430 4.857 0 40 GJAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC 20043169 FDJXVESYRWROGG-CHWSQXEVSA-N 379.909 4.715 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(CN2CCCC2=O)cc1 20111882 WFNIJWOYQRHQLD-UHFFFAOYSA-N 396.796 4.734 0 40 GJAB Nc1c(Br)cc2oc(Cc3ccccc3)nc2c1Br 20134697 MUDUFZIKRLOXFB-UHFFFAOYSA-N 382.055 4.526 0 40 GJAB C[C@H](Sc1ccccc1)C(=O)Nc1nnc(SCc2ccccc2)s1 21953896 KXLQTTRAYFKUEE-ZDUSSCGKSA-N 387.555 4.950 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 22531793 CRVUSIOKBXCHGK-UZLBHIALSA-N 382.504 4.628 0 40 GJAB CN(C)C[C@H](N[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 22789438 ZIVTYNYWZTVDRW-DQEYMECFSA-N 397.522 4.984 0 40 GJAB Cc1ccc(Cl)c2sc(N(C[C@@H]3CCCO3)C(=O)C3CCCC3)nc12 22890503 QTDQBMMSDWDUMG-AWEZNQCLSA-N 378.925 4.960 0 40 GJAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccco3)c2)o1 23017264 OYYVJSCYQSEGSK-ZYRHBWTNSA-N 376.412 4.900 0 40 GJAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(COc2ccc(F)cc2)o1 24908692 QIAQQGWOXMSCIN-UHFFFAOYSA-N 393.370 4.519 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1C 30852041 ZPPYYPWTMHDMFY-FQEVSTJZSA-N 382.504 4.629 0 40 GJAB Cc1nccn1Cc1ccc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1 44854402 HCAPRIOIMSJHPI-GOSISDBHSA-N 375.516 4.726 0 40 GJAB Cc1cc(OCC(=O)Nc2c(C)cc3nc(N)sc3c2C)cc(C)c1Cl 45890314 QYTFFTZFGQBLOD-UHFFFAOYSA-N 389.908 4.783 0 40 GJAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cc(OC)ccc1F)NC2 55028093 FCBRLORQVUWBRL-HSZRJFAPSA-N 396.462 4.615 0 40 GJAB COc1ccc2cc(C(=O)Nc3ccc(-c4noc(C(C)(C)C)n4)cc3)[nH]c2c1 65512802 WEHWVYADMSHMMS-UHFFFAOYSA-N 390.443 4.776 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(C)c3)oc12 67293428 NZXDGVMMCIKRHM-BZZOAKBMSA-N 385.423 4.630 0 40 GJAB Cc1ccc(-c2csc3ncnc(N4CCC(CN(C)C)CC4)c23)cc1C 71811106 ASNFSKAVSQCYIR-UHFFFAOYSA-N 380.561 4.753 0 40 GJAB C[C@H](Oc1ccc(F)cc1)c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1 71889870 GTGYCRJZLSDXAB-AWEZNQCLSA-N 386.398 4.584 0 40 GJAB CCc1onc(C)c1-c1nc(N2C[C@@H](C)C[C@H](C)C2)ncc1-c1ccncc1 72342882 JYKFIZMFFSMTCW-GJZGRUSLSA-N 377.492 4.547 0 40 GJAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)c2ccc(Cl)cc2)c1 72380252 KZPSMUDPNREFKW-LJQANCHMSA-N 381.863 4.716 0 40 GJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](CCCO)c1ccccc1 84064634 LAPANOCGTFEBKD-SFHVURJKSA-N 384.476 4.501 0 40 GJAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](c1cccc(O)c1)SCC(O)=N2 95476243 VAAZGZCKLZSIDI-GOSISDBHSA-N 387.505 4.592 0 40 GJAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc(-c2cccnc2)cs1 95962330 OASRUQZYGCKPMR-UHFFFAOYSA-N 395.875 4.605 0 40 GJAB CC(C)c1noc(-c2ccccc2NC(=O)c2cc(-c3cccs3)on2)n1 96346749 KJLXGUREMDRVPG-UHFFFAOYSA-N 380.429 4.829 0 40 GJAB COc1cccc2s/c(=N/C(=O)c3cccc(Oc4ccccc4)c3)n(C)c12 97549919 FPLSHTZMWSVYIB-GHVJWSGMSA-N 390.464 4.782 0 40 GJAB Cc1ccc(C)c(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 100423198 UTQMWKQLDJBBBM-SFTDATJTSA-N 379.573 4.785 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1Cl 219516250 GUDMIBUIXANUAJ-CQSZACIVSA-N 375.852 4.540 0 40 GJAB CCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 223947108 NLIUZZDDROXTQI-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)c1 224290720 IUXTYPJRUZFVSJ-RTWAWAEBSA-N 376.529 4.820 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1CN1CCCCC1 224837738 AUFUZLOEWBXZKN-HSZRJFAPSA-N 394.559 4.763 0 40 GJAB CCOc1ccc(-c2cnc(CCC(=O)N[C@H](C)CCc3ccccc3)o2)cc1 224862942 SWZYSDOZXIPULH-GOSISDBHSA-N 392.499 4.810 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)Cc3ccc(Cl)cc3F)ccc21 225178565 OJVCDAJTPJOWQT-UHFFFAOYSA-N 378.856 4.618 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1 226253163 KJEKDPWSLLFHJH-KRWDZBQOSA-N 381.520 4.789 0 40 GJAB Fc1ccc(COc2ccc(C(=S)NCc3ccc4c(c3)OCO4)cc2)cc1 408578617 ZHESDKICHWCVJV-UHFFFAOYSA-N 395.455 4.599 0 40 GJAB Cc1ccc(CN2C(=O)CC[C@@]23CCCN(Cc2cccc(F)c2)CC3)cc1 585100685 SSXHGYJMWNAPGP-XMMPIXPASA-N 380.507 4.681 0 40 GJAB CCC1CCC(C(=O)N[C@@H](CC(C)C)C(=O)N(CC(C)C)CC(C)C)CC1 1505840491 FBMFCVLHUUPBLE-CBNMVNINSA-N 380.617 4.874 0 40 GJAB Cc1sc(-c2ccc(Cl)nc2)nc1OC(=O)C(Cl)=C(Cl)Cl 1385778 YXZJIWJYKMSBJH-UHFFFAOYSA-N 384.071 4.958 0 40 GJAB Cc1ccc(CS(=O)(=O)c2ccccc2-c2nnc(-c3ccccc3)o2)cc1 1400941 ADZJDKCBFKJEMA-UHFFFAOYSA-N 390.464 4.686 0 40 GJAB CC[C@H](C)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)cc1 3271327 WVQCOOMLLDLAFI-HNNXBMFYSA-N 396.512 4.924 0 40 GJAB CCOC(=O)[C@@H](C)Oc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 4586205 VIEYULCHRBWYCJ-CYBMUJFWSA-N 378.380 4.537 0 40 GJAB biogenic O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccccc1F 4846832 XJKOTQOMWDLIIY-UHFFFAOYSA-N 377.415 4.530 0 40 GJAB C[C@H]1CCC[C@H](NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)[C@@H]1C 4863718 VJYHHKMHISXAIU-FCEWJHQRSA-N 391.939 4.636 0 40 GJAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)cc1 5256084 JOLGQZONIAFRHG-FQEVSTJZSA-N 381.863 4.787 0 40 GJAB Cc1ccc(CSCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 6233847 GRPCLMNIUJHWMZ-UHFFFAOYSA-N 390.357 4.514 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C1=O 6323955 YFWXPDFSAHNAPE-XDJHFCHBSA-N 383.469 4.591 0 40 GJAB CCc1cccc2c(C(=O)CSc3nnc(Cc4ccccc4)o3)c[nH]c12 6543965 OLUYKYSJLONRNB-UHFFFAOYSA-N 377.469 4.679 0 40 GJAB COc1cc(CC(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C)C)cc(OC)c1OC 6789890 GPIZJHFUOJWNMW-HSZRJFAPSA-N 399.531 4.892 0 40 GJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(F)cccc2s1 7981671 NKIRWCORHPGPFJ-UHFFFAOYSA-N 385.420 4.736 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)OCc3ncc(-c4ccc(F)cc4)o3)c2C)no1 7986984 OTSRBYBBEKGALJ-UHFFFAOYSA-N 395.390 4.542 0 40 GJAB CC(C)Oc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1 8041030 CAOBFSYIQLHRQC-UHFFFAOYSA-N 381.900 4.930 0 40 GJAB COc1cc(CNC2CC2)cc(Br)c1OCc1ccc(Cl)cc1 8470183 XTGREGMEESTENQ-UHFFFAOYSA-N 396.712 4.942 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(Br)c(C)c1 8497095 TWIAQOOWERHJPU-OAHLLOKOSA-N 378.266 4.562 0 40 GJAB CC(=O)Nc1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)c1 8724726 KEXXAVLUWZEHFI-UHFFFAOYSA-N 394.858 4.983 0 40 GJAB Cc1cccc(OCCC(=O)Nc2nc(SCc3ccccc3)ns2)c1 9315559 FXDNCMJODGZYNE-UHFFFAOYSA-N 385.514 4.546 0 40 GJAB O=C(Cc1ccc(F)cc1Cl)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188116 BNGJRODLYMDQKN-SFHVURJKSA-N 382.866 4.976 0 40 GJAB NC(=O)c1cccc(NCc2cc(-c3cccc(F)c3)cnc2-c2ccncc2)c1 12337344 LXBORLTWDILCDS-UHFFFAOYSA-N 398.441 4.661 0 40 GJAB CN(Cc1cccc(Cl)c1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 12941976 NFEWQCPHDXDUGW-JOCHJYFZSA-N 381.903 4.879 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Nc2ccccc2)CC1 13012950 XXNQEYUSFKNUJA-UHFFFAOYSA-N 391.393 4.588 0 40 GJAB Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc3c(c1)OCO3)CC(O)=N2 13550796 VDSBLSFTRLNIAM-CYBMUJFWSA-N 381.819 4.686 0 40 GJAB COc1ccc2c(c1)C=C(CN(Cc1cccnc1)Cc1ccccc1F)CO2 13569020 FUBPJWVYYRCAJZ-UHFFFAOYSA-N 390.458 4.708 0 40 GJAB CCN(C(=O)CNc1ccc(Br)cc1)c1nc2ccccc2s1 15376515 QPXJCFKWURIQCE-UHFFFAOYSA-N 390.306 4.524 0 40 GJAB COc1ccc(-n2c3c(c(SCc4ccc(Cl)cc4)nc2=O)CCC3)cc1 15840451 MYNCOEIGTINCFH-UHFFFAOYSA-N 398.915 4.676 0 40 GJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1Br 16388355 CDDMPCCIURUGCK-UHFFFAOYSA-N 392.684 4.785 0 40 GJAB COc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1-c1ccc(CO)o1 20143609 PFIVVRCDGJJQRM-UHFFFAOYSA-N 391.467 4.898 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3cccs3)no2)cc1 22460478 FUBXONSRMWLXAH-UHFFFAOYSA-N 391.452 4.791 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)no1 27852028 FFIKGRLZGYINAS-STQMWFEESA-N 399.438 4.521 0 40 GJAB O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 31207288 VTWNDECHKRMUMT-MRXNPFEDSA-N 398.528 4.560 0 40 GJAB Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c(Br)c1 32611704 IJUFFDKGUWPCOQ-UHFFFAOYSA-N 384.277 4.812 0 40 GJAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc(CSC)o1 32860385 KKKKPEPQUNWBJU-UHFFFAOYSA-N 398.506 4.755 0 40 GJAB Cc1c(C)n(Cc2ccncc2)c2nc3c(c(N)c12)C[C@@H](c1ccccc1)CC3 40287244 CEDPDPBKJUAAJI-FQEVSTJZSA-N 382.511 4.951 0 40 GJAB CC(C)c1ccc(OCCOC[C@@H](O)CN2C(C)(C)CCCC2(C)C)cc1 40373324 NBPAVBNJGSSYQA-FQEVSTJZSA-N 377.569 4.609 0 40 GJAB COc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 40485379 ZGLIQQFWZWOEOV-JOCHJYFZSA-N 389.426 4.887 0 40 GJAB Cc1nc(SCC(=O)N2CCC[C@@H]2c2cccs2)n(CC(C)C)c1C 48324185 VIGLUWSYSKLZPF-MRXNPFEDSA-N 377.579 4.673 0 40 GJAB CCCc1nc(-n2cccc2)sc1C(=O)NCc1ccccc1C(F)(F)F 49006261 GFJYPNFNYQGOGO-UHFFFAOYSA-N 393.434 4.835 0 40 GJAB CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C 49864526 SDQNQTAIUAGGQL-AIOSZGMZSA-N 383.576 4.859 0 40 GJAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1F 57487258 WOZGNXPVRAYYIV-UHFFFAOYSA-N 396.809 4.636 0 40 GJAB CN(C)[C@@H](CNc1nc(C(F)(F)F)nc2ccccc12)c1ccc(F)cc1 59394248 UXPFWYRMHWNMKG-INIZCTEOSA-N 378.373 4.503 0 40 GJAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4c(C)noc4C)C3)n2)c1 72350222 MFZULXRCYRFZKO-HXUWFJFHSA-N 389.499 4.611 0 40 GJAB Clc1ccccc1CN1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 72375921 VSRDUJNTFRGVDR-KRWDZBQOSA-N 379.895 4.648 0 40 GJAB O=C(CCc1ccc(-c2ccccc2F)o1)NCCc1nc2c(s1)CCCC2 89821252 ZAEJVMQHNCNHSB-UHFFFAOYSA-N 398.503 4.713 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3csc(-c4cnccn4)n3)sc2C)cc1 95947414 DKJYUIJSALWWNA-UHFFFAOYSA-N 393.497 4.593 0 40 GJAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c2c(-c3ccc(F)cc3)noc2n1 101986976 ZPYCPBKYWRMZBQ-MMNPAVHPSA-N 393.462 4.892 0 40 GJAB CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)cc1 102584301 ZLZFSDZPYCQIJJ-QGZVFWFLSA-N 384.505 4.706 0 40 GJAB OC1=C2C(=NC(Nc3nc4ccccc4s3)=N[C@@H]2c2cccnc2)CCC1 102678507 JKZCXJJMLKJTBZ-GOSISDBHSA-N 375.457 4.651 0 40 GJAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)c(OC)c1OC 102731842 CMFRLIYHLHJQDY-KRWDZBQOSA-N 398.459 4.859 0 40 GJAB Cc1cc2c(N)c(C(=O)N3C[C@@H](C)C[C@@H](C)C3)sc2nc1-c1ccccc1 215683509 UOJFHNUCCQDOAD-OKILXGFUSA-N 379.529 4.972 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OC(C)C)cc1 225000678 FGAOURWXZQQZBA-QHCPKHFHSA-N 381.516 4.826 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1Cl 225157019 GJVHJNBGABFVLK-UHFFFAOYSA-N 390.892 4.623 0 40 GJAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(Br)cc2F)cc1 225446899 CAVVEKUXEMSBBM-UHFFFAOYSA-N 397.313 4.862 0 40 GJAB Cc1ccccc1CSCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 225599549 KWQNMMVLXUGJDH-SFHVURJKSA-N 383.557 4.691 0 40 GJAB CCc1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 408625434 YCFYGDUYEJNOLS-UHFFFAOYSA-N 384.888 4.888 0 40 GJAB COCCN1C(=O)S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 409126292 FHZMYPMUPHJCLS-FOWTUZBSSA-N 391.533 4.670 0 40 GJAB Cc1ccc(SCC(=O)Nc2ccc(C(=O)Nc3ccc(O)cc3)cc2)cc1 693130 NTUFEBBTJBFFBV-UHFFFAOYSA-N 392.480 4.684 0 40 GJAB COc1cccc(C(=O)CSc2ncnc3sc4c(c23)CC[C@H](C)C4)c1 928923 TYKFKHMWCYRNKU-LBPRGKRZSA-N 384.526 4.800 0 40 GJAB CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(CC)cccc23)cc1 955147 MUDSPSQEMWGQBN-UHFFFAOYSA-N 392.455 4.894 0 40 GJAB CCOC(=O)c1nc(Nc2ccc(N3CCC(C)CC3)cc2)c2ccccc2n1 956533 NNZZNPOTZHAVPJ-UHFFFAOYSA-N 390.487 4.786 0 40 GJAB CCOc1ccc(-c2ncncc2Oc2ccccc2Br)c(O)c1 2402409 KAFMDJDBVBOLEF-UHFFFAOYSA-N 387.233 4.803 0 40 GJAB biogenic CCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 2461093 WZVWMXXRWAJQMR-UHFFFAOYSA-N 383.878 4.923 0 40 GJAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccccc1C(N)=O 2736801 HAWJTAJVPXWVNF-UHFFFAOYSA-N 381.435 4.561 0 40 GJAB COc1ccc(C(C)=O)cc1CSc1nnc(NC2CCCCC2)s1 3290907 RDPIXQAOFPOTTL-UHFFFAOYSA-N 377.535 4.786 0 40 GJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CN1Cc1ccccc1 4033498 DFXHWWURRISFIP-FQEVSTJZSA-N 399.469 4.740 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)C[C@@H](c3ccco3)Sc3ccccc32)cc1 4162793 KUULEONUCWUVPI-FQEVSTJZSA-N 392.480 4.797 0 40 GJAB COc1ccccc1-c1nnc(NC(=O)C(c2ccccc2)c2ccccc2)o1 4276017 XCYPRXJMSKBKFL-UHFFFAOYSA-N 385.423 4.516 0 40 GJAB COc1ccc(C)c2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc12 4331157 GTOFYQXYLRFVOQ-UHFFFAOYSA-N 397.283 4.938 0 40 GJAB CCOC(=O)c1c(NC(=O)C(C)C)sc(C)c1-c1ccc(OC)c(OC)c1 4569108 OZMXUNIVFHISEA-UHFFFAOYSA-N 391.489 4.512 0 40 GJAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccc2cccnc12)CCCC3 4735775 KTGLFOSJRJHJTI-UHFFFAOYSA-N 392.480 4.969 0 40 GJAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc(N3CCc4ccccc43)ncc21 4747487 WHWUZVCVDRVYCA-MRXNPFEDSA-N 375.859 4.737 0 40 GJAB CN(C)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(F)cc2s1 5115272 AAJCYAFVUBZUJS-UHFFFAOYSA-N 393.487 4.797 0 40 GJAB CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(Cl)c3)cc2Cl)CC1 5353056 UWAFXTRHTZSJDV-UHFFFAOYSA-N 392.330 4.696 0 40 GJAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1 5521778 UIBWTJSTQWPBIC-UHFFFAOYSA-N 398.572 4.554 0 40 GJAB COc1ccc(NC(=O)CSCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 6586167 NUAWIVIZULIZNV-UHFFFAOYSA-N 397.500 4.741 0 40 GJAB COc1ccc(OC)c(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1 7062278 TYQFXWUXHPXYEE-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB Cn1c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nnc1C1CC1 7087241 FTLWCVCIPIWDEI-UHFFFAOYSA-N 387.512 4.838 0 40 GJAB CCN1CCN(c2ccccc2NC(=O)C(c2ccccc2)c2ccccc2)CC1 7268365 OVWAZSNDQGKQBP-UHFFFAOYSA-N 399.538 4.599 0 40 GJAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7684264 PQGBIFMTTCGWLW-HRAATJIYSA-N 390.483 4.738 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 7929153 WIVVMGTYRSUFNT-GOSISDBHSA-N 379.500 4.950 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c2)cs1 7990582 SHDGPVGFCBGVOT-HXUWFJFHSA-N 394.496 4.929 0 40 GJAB Cc1ccc2c(CC(=O)Nc3nc(CN4CCC(C)CC4)cs3)coc2c1 8754819 MXGIPANVJYNTGO-UHFFFAOYSA-N 383.517 4.611 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(OCc2cscn2)cc1 9218415 NCFZTKAGBXSZPK-UHFFFAOYSA-N 395.509 4.604 0 40 GJAB O=C(Cn1cc(-c2nnc(-c3ccco3)o2)c2ccccc21)Nc1ccccc1 11695960 MNIFNRWJYMIXNM-UHFFFAOYSA-N 384.395 4.590 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1cc(-c2ccccc2)on1 11905278 VXTXYAHRRBHYNA-LJQANCHMSA-N 395.528 4.750 0 40 GJAB COc1cc(-c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC 12323415 MNLZBZURIXOVJF-UHFFFAOYSA-N 395.436 4.609 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccccc2Nc2ccc(C)cc2)cc1OC 12525973 VCWVEOLVAMVILJ-UHFFFAOYSA-N 398.484 4.557 0 40 GJAB O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccccc1 13284464 UQNMBQAEJAYXSC-JOCHJYFZSA-N 380.451 4.758 0 40 GJAB Cc1nc(S[C@H](C)C(=O)NC(C)C)c2c(-c3cccs3)csc2n1 14198675 AMLVDMDRQJKRIQ-SNVBAGLBSA-N 377.560 4.733 0 40 GJAB O=C(OCCOc1cccc(Cl)c1)c1ccccc1C(=O)c1ccccc1 15275647 NGNBFCVAQYOMHR-UHFFFAOYSA-N 380.827 4.807 0 40 GJAB Cc1nc(-c2cccs2)c(CC(=O)NCCc2ccc(Cl)cc2)s1 15840102 NQJGESWHMGDKPK-UHFFFAOYSA-N 376.934 4.735 0 40 GJAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Oc2ccc(F)cc2)cc1 16181943 XZABLQYSWQJZBU-UHFFFAOYSA-N 390.414 4.997 0 40 GJAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)Cn2nc(C)c(C)c2C)n1 19690583 BKDAMMSVPNNSLI-QHCPKHFHSA-N 388.515 4.542 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 20767760 ZQELTHWSAAVMID-UHFFFAOYSA-N 395.871 4.637 0 40 GJAB CCCOc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cc1OC 22763392 ICXZVROMPQXHRB-GLCAFCFESA-N 385.426 4.735 0 40 GJAB Cc1cccc(OCCOC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)c1 32936268 WNOPTZVZIDFWRD-JLHYYAGUSA-N 389.451 4.604 0 40 GJAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)c1OC 36366563 YFELEBLMFKADKA-CYBMUJFWSA-N 383.835 4.667 0 40 GJAB COCCN(Cc1cccs1)C(=O)c1cc2cccc(Br)c2o1 36848715 XKFBFBBUKNVXDT-UHFFFAOYSA-N 394.290 4.546 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1Cl 38752888 KJXLKLQFSQCZBS-INIZCTEOSA-N 396.270 4.966 0 40 GJAB CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1 48235167 GBEYAZFKIGSGET-GOSISDBHSA-N 386.517 4.750 0 40 GJAB CCc1noc(CCCC(=O)Nc2cc3oc4ccccc4c3cc2OC)n1 56246484 OHVPDFRZUVCTBR-UHFFFAOYSA-N 379.416 4.501 0 40 GJAB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc3c(c2)OCO3)S1 85412048 JDTPWIYKBAIGRB-SFHVURJKSA-N 385.489 4.687 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3csc(-c4cnn(C)c4)n3)sc2C)cc1 95950184 SXMBKFNSQACUCU-UHFFFAOYSA-N 395.513 4.536 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccccc1Cl 219057890 IEXQDAUBFMBURX-INIZCTEOSA-N 375.896 4.645 0 40 GJAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCN1CCCc2ccccc21 219301265 AZBNPQOOLRREAA-IBGZPJMESA-N 380.532 4.536 0 40 GJAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 224688963 AXNQVWQWAZPRIM-UHFFFAOYSA-N 377.815 4.882 0 40 GJAB O=C(NCc1ccnc(-c2cccnc2)c1)C1(c2ccc(Cl)cc2)CCCC1 225639893 BALAYRZEOKBBKI-UHFFFAOYSA-N 391.902 4.925 0 40 GJAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1c(F)cccc1F 225803976 BVGXAXXKBDHXFI-UHFFFAOYSA-N 397.303 4.605 0 40 GJAB CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCC[C@H](C)C1 225853496 SFKDLOHUNSVUPV-AOMKIAJQSA-N 391.508 4.574 0 40 GJAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Oc2ccc(C3CCCCC3)cc2)c1 226860776 DGYHKPWDINWNCZ-UHFFFAOYSA-N 394.876 4.854 0 40 GJAB Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)s1 257173040 BBYVFQCAVLFDFU-UHFFFAOYSA-N 377.469 4.601 0 40 GJAB Cc1cccc(-n2c(SCCOc3ccccc3)nnc2-c2ccncc2)c1 409108517 UVLNEDZBPQMGLE-UHFFFAOYSA-N 388.496 4.809 0 40 GJAB O=C(c1coc(C2CCOCC2)n1)N1CC2(CCCCC2)[C@H]1c1ccccc1 573207555 KAFNEUOIIPNQOR-HXUWFJFHSA-N 380.488 4.716 0 40 GJAB CCc1nc2ccc(C(=O)N[C@@H](c3cccs3)C3CCOCC3)cc2s1 585149364 LBTRSYSKCYSKRG-LJQANCHMSA-N 386.542 4.818 0 40 GJAB O=C1CCCCc2ccc(NC(=O)N3CCC[C@@]4(C3)OCc3ccccc34)cc21 643268786 GXAYRESMQNFXFV-DEOSSOPVSA-N 390.483 4.649 0 40 GJAB Cc1c(C(=O)N2C[C@H](C)c3ccccc32)cnn1-c1ccc(C(F)(F)F)cc1 1276614925 XYRNBAXJSJVBHD-ZDUSSCGKSA-N 385.389 4.963 0 40 GJAB COCc1cccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 1615124511 FJNXUBCFKZARAM-DEOSSOPVSA-N 396.506 4.636 0 40 GJAB CCCCCN1C(=O)N(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc21 1889148989 OYFHYZIHYNBDMA-UHFFFAOYSA-N 392.908 4.974 0 40 GJAB COc1ccc(OC)c(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)c1 902938 OXDCDMKFWTXVNB-UHFFFAOYSA-N 396.512 4.908 0 40 GJAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 990053 WCNHBHLABDRUIW-AREMUKBSSA-N 399.490 4.817 0 40 GJAB CC(C)c1ccc(C(=O)N2CCCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1 1112084 RDOFTSZMKSCTQI-UHFFFAOYSA-N 392.543 4.922 0 40 GJAB CCCCCCSc1nnc2c(n1)O[C@H](CC)N(C(C)=O)c1ccccc1-2 2104624 RZBKTRVSFMRVBM-QGZVFWFLSA-N 386.521 4.692 0 40 GJAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1 2349212 WVIKTHFAJJUBSS-DFBJGRDBSA-N 381.840 4.817 0 40 GJAB COc1ccc(-c2nsc(SCC(=O)Nc3cc(C)ccc3C)n2)cc1 3007364 CSOHOINCELKHGO-UHFFFAOYSA-N 385.514 4.561 0 40 GJAB Cc1cc(/N=c2\[nH]c3ccccc3n2Cc2ccccc2)n(-c2ccccc2)n1 3309915 LWZRSCLVBDUTFC-UHFFFAOYSA-N 379.467 4.744 0 40 GJAB CCOc1ccc(NC(=O)c2cc(OC)ccc2Br)cc1OCC 3355097 JYXRQPPKIVONMC-UHFFFAOYSA-N 394.265 4.507 0 40 GJAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NCCC1=CCCCC1 3390833 QGYNYJDZDANNCF-MRXNPFEDSA-N 396.560 4.632 0 40 GJAB CCc1cccc2c(C(=O)COC(=O)COc3cccc4ccccc34)c[nH]c12 3450231 PMANHJZEZWUXPS-UHFFFAOYSA-N 387.435 4.688 0 40 GJAB CCCCCC[C@H](C)NC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 4724851 YDPGENSYUANQFL-FQEVSTJZSA-N 396.531 4.843 0 40 GJAB O=C(CCC1CCCC1)N1CCC(Nc2ccc(Br)cc2)CC1 4749396 OHPXNSDMAPXFAE-UHFFFAOYSA-N 379.342 4.822 0 40 GJAB CN1CCC(=C2c3ccccc3CC(=O)c3sc(Br)cc32)CC1 5525389 MXGSWUZNIPJDMX-UHFFFAOYSA-N 388.330 4.777 0 40 GJAB Cc1cccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)n1 6422418 WMJRZBGPUCLNLI-OVCLIPMQSA-N 379.268 4.933 0 40 GJAB O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)Nc1ccc2ccccc2c1 6509795 JCEIVBBFIHLDBT-HXUWFJFHSA-N 386.480 4.945 0 40 GJAB Cc1cc(C(=O)COc2ccc(Cl)cc2Cl)c(C)n1C[C@@H]1CCCO1 6903126 VBOXXBYXXUVTHI-HNNXBMFYSA-N 382.287 4.852 0 40 GJAB O=C(CSc1ncnc2sccc12)N[C@@H](c1ccccc1)c1cccs1 7329436 VVSHQDZMASQUIU-KRWDZBQOSA-N 397.550 4.751 0 40 GJAB CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 7419704 UNXFJPDBQCNERL-ZDUSSCGKSA-N 381.303 4.851 0 40 GJAB O=C(COc1cccc(Cl)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7890637 LVMWNQVQOQPWPO-CQSZACIVSA-N 386.904 4.735 0 40 GJAB CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1 8326284 YUPJFZYTJHUIFS-KRWDZBQOSA-N 398.330 4.832 0 40 GJAB O=C1c2ccccc2N[C@@H](c2cnn(Cc3ccccc3)c2)N1c1ccc(F)cc1 9339117 JBBHJSNEEYLIAO-HSZRJFAPSA-N 398.441 4.842 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 10287120 PJEOPQIITYMPLX-ZUOKHONESA-N 388.895 4.869 0 40 GJAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 10469516 CPOOIMNUDWAHLB-VGOFRKELSA-N 383.488 4.774 0 40 GJAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)c1c[nH]c2ccccc12 11408624 LDOSSHASWOWYQJ-CYBMUJFWSA-N 394.525 4.995 0 40 GJAB C=Cn1ncc(CN(Cc2ccccc2OC)C2CC(C)(C)NC(C)(C)C2)c1C 12186576 MFZZYKYSMDQHLM-UHFFFAOYSA-N 396.579 4.612 0 40 GJAB CCOc1cc2c(cc1NC(=O)Cc1c(Cl)cccc1Cl)O[C@H](C)C2 12992749 VGJHQJLQYZPIPC-LLVKDONJSA-N 380.271 4.897 0 40 GJAB O=C1CCN(c2nc(CSc3ccccc3)nc3sc4c(c23)CCC4)CC1 13001923 MJBQEFUHDZVPFA-UHFFFAOYSA-N 395.553 4.642 0 40 GJAB O=C(COc1cc2ccccc2cc1C(=O)O)Nc1cc(Cl)cc(Cl)c1 13080353 HQAOWQNAMYMDIO-UHFFFAOYSA-N 390.222 4.862 0 40 GJAB c1ccc(CCN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1 13217391 IQQSGUWPUMPOIQ-UHFFFAOYSA-N 381.483 4.684 0 40 GJAB COc1ccc(CN(Cc2ccncc2)Cc2ccc(C)c(C)c2)cc1OC 13989908 UXCZQTJNUPNANL-UHFFFAOYSA-N 376.500 4.918 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccc(Cl)cc1Cl 15582752 FCEFOISBEOJDME-LJQANCHMSA-N 389.282 4.574 0 40 GJAB Cc1cc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc(C)c1Cl 17079417 YZCJWQOZDLQTSX-BQYQJAHWSA-N 388.920 4.648 0 40 GJAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)on1 19121059 XCWAFYLPGLMXJO-HNNXBMFYSA-N 391.258 4.657 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)ccc1Cl 20144277 RWRAUBSQCQSQSQ-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB Cc1ccc(SCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20451930 ZOGIKJRRMZCRBK-LJQANCHMSA-N 382.573 4.749 0 40 GJAB O=c1cc(C(F)(F)F)c2ccc(OCc3ccc(-n4cccn4)cc3)cc2o1 21561423 DUXHFOXYUFVPHA-UHFFFAOYSA-N 386.329 4.577 0 40 GJAB Cc1nc2ccc(C(=O)OCc3nc(-c4cccs4)oc3C)cc2nc1C 22378701 DWQKKWXYIOZXKP-UHFFFAOYSA-N 379.441 4.629 0 40 GJAB O=c1c2ccccc2sn1CN1CCCC[C@H]1c1nc2ccccc2s1 23882180 GSVCOPTWXCENET-INIZCTEOSA-N 381.526 4.857 0 40 GJAB CCOc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 29505338 YHVQMGZZJXXMNM-UHFFFAOYSA-N 389.377 4.851 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)n2)cc1 32843324 PVRCGTNMROAQFF-SJLPKXTDSA-N 383.517 4.945 0 40 GJAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1cc(Cl)ccc1Cl 33662715 IOJKNJCWKUJDOM-UHFFFAOYSA-N 391.279 4.979 0 40 GJAB Cc1cccc(CC(=O)Nc2cnc(C)n2-c2nc(-c3cccs3)cs2)c1 35682829 YBVNUYDMAQBBAG-UHFFFAOYSA-N 394.525 4.855 0 40 GJAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)Nc1cccs1 38489869 BXRPCPNHNCJLIX-UHFFFAOYSA-N 383.498 4.652 0 40 GJAB C[C@@H](CCc1ccco1)NC(=O)CCn1ccc2cc(Br)ccc21 41105493 KNMKWNMWHFNXIJ-AWEZNQCLSA-N 389.293 4.524 0 40 GJAB Cc1ccc(SCCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44873410 YGDDMWMNCSPVPJ-UHFFFAOYSA-N 382.573 4.780 0 40 GJAB O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078444 ZJLCTXDNLATTLK-UHFFFAOYSA-N 392.405 4.810 0 40 GJAB O=C(NCc1cccc(NC(=O)C2CC2)c1)Nc1ccc(SC(F)F)cc1 48333010 YOLWPCJFHCKAKT-UHFFFAOYSA-N 391.443 4.672 0 40 GJAB O=C([C@H]1CC=CCC1)N(Cc1ccc(Br)cc1)Cc1ccccn1 48333482 VKVBPVNFGAFEQP-KRWDZBQOSA-N 385.305 4.729 0 40 GJAB Cn1cccc1CN(Cc1cccs1)C(=O)c1cccc(C(F)(F)F)c1 49026681 OEPPWLMIIOBDDN-UHFFFAOYSA-N 378.419 4.948 0 40 GJAB CC(C)CCc1nc(CS(=O)(=O)Cc2ccc(F)cc2Cl)cs1 58155711 OKXBTKALVNUKHF-UHFFFAOYSA-N 375.918 4.639 0 40 GJAB Cc1c(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)nnn1-c1ccc(F)cc1 60319086 LSIYYANNNIHSDI-UHFFFAOYSA-N 391.450 4.578 0 40 GJAB O=C(COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)Nc1ccccc1Sc1ccccc1 102402998 ATBLQDQEOQPXCG-BQFCYCMXSA-N 379.481 4.532 0 40 GJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)c2C(N)=O)C1 102624448 NEEWECOJLDTDDK-AYDFFVQHSA-N 388.577 4.763 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 222889581 PODWVSXCLINZDM-FCHUYYIVSA-N 390.556 4.872 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 223173730 RCOCVKMJGASWTQ-LJQANCHMSA-N 395.543 4.869 0 40 GJAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C(C)C 224574498 PURBENLWWIDBCH-LEWJYISDSA-N 392.528 4.650 0 40 GJAB COc1ccc(-c2nnc(NC(=O)c3cc4ccccc4cc3OC)s2)cc1 224809183 IJXXUVDPOYUZJU-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(OC)c(C)c1 225455708 CZMLKNOHRIYTKI-DYESRHJHSA-N 381.516 4.917 0 40 GJAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C 225584941 REBZWPMHJHHRBU-SFHVURJKSA-N 397.515 4.868 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225739029 JYDGQGQVXFKNSH-JOCHJYFZSA-N 378.557 4.721 0 40 GJAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)cc2F)C1 257313522 USZKPTYLNXBFRA-ZVDOUQERSA-N 377.406 4.982 0 40 GJAB COCCC(=O)N[C@@H]1C[C@H](c2cccc(-c3cccc(F)c3)c2)O[C@@H]2CCC[C@@H]12 257340787 ZHOCVGOKCMGSGE-WBADGQHESA-N 397.490 4.644 0 40 GJAB COc1ccc(Oc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 408616926 ASCFRHFXUWQVHE-UHFFFAOYSA-N 379.412 4.757 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(C)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409351014 VILRGOBYSMPHBN-JXXFODFXSA-N 396.453 4.910 0 40 GJAB Cn1nccc1[C@@H]1CCCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)C1 505852870 BNGAKXDXHWCSJW-NTKDMRAZSA-N 398.510 4.705 0 40 GJAB Cc1c(OCC(=O)Nc2ccc(Cl)cc2Cl)c(=O)ccn1CCC(C)C 524733279 KVQNKQZNTSESGI-UHFFFAOYSA-N 397.302 4.527 0 40 GJAB O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 528365874 GNNXVWQLRRWILM-HZPDHXFCSA-N 387.361 4.946 0 40 GJAB C[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)[C@@H]1OCCc2sccc21 569013527 DVVGCHWGIZCOJM-QKVFXAPYSA-N 396.487 4.745 0 40 GJAB Cc1ccc(CC(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)s1 1615125690 GIWBBEGPYNCPFN-QFIPXVFZSA-N 386.536 4.788 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 670372 BHGQQGOESDFXLR-LLVKDONJSA-N 382.243 4.576 0 40 GJAB CCOc1ccc(NC(=O)CSc2nc3ccc(OC)cc3cc2C)cc1 881241 HVYIKOSKVFYBAG-UHFFFAOYSA-N 382.485 4.681 0 40 GJAB Cc1sc2ncnc(SCC(=O)Nc3nc(C(C)(C)C)cs3)c2c1C 928942 XDSGWYXVAYFYEY-UHFFFAOYSA-N 392.575 4.793 0 40 GJAB COc1ccc(-c2nnc3n2C(=O)C[C@H](c2cccc4ccccc24)S3)cc1 957036 QWNXOWKNMJDCAW-LJQANCHMSA-N 387.464 4.984 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc(C)c1 976324 GKZIXEPSOLBANQ-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB CCc1cc(I)ccc1NC(=O)c1ccccc1Cl 1265660 QFTBHMATCKREMJ-UHFFFAOYSA-N 385.632 4.759 0 40 GJAB CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)ccc1C 1268190 RDQLUFTZKNAVEP-UHFFFAOYSA-N 394.254 4.690 0 40 GJAB Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1Cl 2265685 ZMJAWDRXTPFZJG-UHFFFAOYSA-N 385.707 4.911 0 40 GJAB CC(C)c1nc2sc3c(N4CCCC4)ncnc3c2c2c1COC(C)(C)C2 2292634 YKKAGXSMVMKIRT-UHFFFAOYSA-N 382.533 4.814 0 40 GJAB CC(C)c1nc2sc3c(NCc4cccnc4)ncnc3c2c2c1CCC2 2410146 QQHJCPLXKQYPND-UHFFFAOYSA-N 375.501 4.859 0 40 GJAB CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1 2434403 ACTVAWCHEWRCKE-UHFFFAOYSA-N 387.892 4.505 0 40 GJAB O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccc(Cl)cc1 3655959 ULBKDFLWWGJQFW-UHFFFAOYSA-N 378.815 4.757 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 4063092 CCTCNIQXZRICPC-UHFFFAOYSA-N 389.480 4.938 0 40 GJAB CCc1nnc2n1N=C(c1ccc(-c3ccc(Cl)cc3Cl)o1)CS2 4100348 RNKKYLUKZMDNLQ-UHFFFAOYSA-N 379.272 4.765 0 40 GJAB C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)c1ccccc1 4134819 CBYLONQVHNNZGI-NSHDSACASA-N 389.274 4.863 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC2=CCCCC2)cc1C 4649057 RTDMDWSMMDUQCA-JWGURIENSA-N 392.499 4.674 0 40 GJAB COc1ccc(-c2nc3cc(NC(=O)COc4cccc(C)c4)ccc3o2)cc1 4671634 BVPJESDYXAQGCX-UHFFFAOYSA-N 388.423 4.829 0 40 GJAB O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)c1 4671905 RTJPWVVBBDIEMG-UHFFFAOYSA-N 394.814 4.543 0 40 GJAB Cc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)cs2)cc1 4676107 HRXGSIQAHWVCLC-UHFFFAOYSA-N 386.860 4.888 0 40 GJAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 4735552 JWMYMVGHCHBMOA-OAQYLSRUSA-N 375.472 4.977 0 40 GJAB COc1ccccc1NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 5146501 ITKCNHGWVKXBBY-UHFFFAOYSA-N 397.887 4.906 0 40 GJAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@](C)([C@@H](C)NC(C)=O)C=C3CC[C@@H]12 5160269 VHIFCGQMUHNGPP-UCUQPJEISA-N 375.553 4.633 0 40 GJAB Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1N1CCCCC1=O 5441850 JZHCNHWQLIMWPC-UHFFFAOYSA-N 376.378 4.783 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cccc(C)c2O)c2ccccc2)c1 5986245 IMUIELLYCCXLCZ-JOCHJYFZSA-N 389.451 4.854 0 40 GJAB CCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O 6094115 GPXKUJBZHWBHML-AWEZNQCLSA-N 391.496 4.570 0 40 GJAB Cc1nc2ccc3nc(NC(=O)c4cc(=O)c5ccccc5o4)sc3c2s1 6479842 LAGSJOJEENUOLP-UHFFFAOYSA-N 393.449 4.573 0 40 GJAB CCCOc1c(Br)cc(C(=O)NCc2ccccc2)cc1OCC 6593370 FJPRVVIZMNIAJM-UHFFFAOYSA-N 392.293 4.567 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCC4)n2)cc1 6647587 NMAHOEHPDVEOEQ-UHFFFAOYSA-N 377.469 4.510 0 40 GJAB N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(=O)NC1CCCC1 6971862 FXWRAJMVMPSDHD-AQTBWJFISA-N 387.458 4.794 0 40 GJAB CN(C)C(=O)[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 7074042 BEILGXRUNPEQQQ-HNNXBMFYSA-N 391.418 4.570 0 40 GJAB COC(=O)c1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 7504086 PSWHOTQGBHBAEB-FQEVSTJZSA-N 385.423 4.725 0 40 GJAB C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)NC1CCCCCC1 8255337 UYFYVCCQUHMDNJ-GFCCVEGCSA-N 379.913 4.710 0 40 GJAB Cc1[nH]c(SCC(=O)N[C@@H](C)c2ccccc2Cl)nc1Cc1ccccc1 8709917 XTCIJVNEPWMRTN-AWEZNQCLSA-N 399.947 4.932 0 40 GJAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1cccc(C(F)(F)F)c1 9457997 MSPCZQZSQGYMAN-UHFFFAOYSA-N 389.329 4.709 0 40 GJAB Cn1ccnc1[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1F 10260908 UFWOLIYDSANCON-MRXNPFEDSA-N 393.249 4.777 0 40 GJAB Cc1ccccc1-c1noc(-c2nnn(-c3cccc(C(F)(F)F)c3)c2C)n1 10273391 HFRAWRUUZSWLDI-UHFFFAOYSA-N 385.349 4.620 0 40 GJAB CC(C)Oc1ccccc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 10280701 OYQLSCOSSIIFLA-UHFFFAOYSA-N 380.488 4.789 0 40 GJAB Brc1ccc(CSc2nnc(COc3ccccc3)o2)cc1 12249455 PZNFUNZLILFJHL-UHFFFAOYSA-N 377.263 4.703 0 40 GJAB NC(=O)c1ccc(NCc2cc(-c3cccc(F)c3)cnc2-c2ccncc2)cc1 12337343 FQNDLEAMEGUNQK-UHFFFAOYSA-N 398.441 4.661 0 40 GJAB COc1ccc(CNC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc1 12766467 OKUOSPJBOUZZEA-UHFFFAOYSA-N 399.450 4.651 0 40 GJAB COc1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)ccc1C 12819471 QVERLGORFHMSAO-UHFFFAOYSA-N 390.270 4.808 0 40 GJAB CCc1nc(SCc2nnsc2Cl)nc(N)c1-c1ccc(Cl)cc1 12822653 CTLXXSGDRNLJIH-UHFFFAOYSA-N 398.344 4.739 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Br)cc3)s2)cs1 12894080 BELWAQOWWBLCPS-UHFFFAOYSA-N 393.331 4.873 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)CCC(C)C 13020196 AGSHTDVALDEGSG-UHFFFAOYSA-N 394.924 4.824 0 40 GJAB C[C@H]1C[C@@H](C)CN(c2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCCC3)C1 13562784 PQWHZHVYVLVXAX-IYBDPMFKSA-N 378.495 4.897 0 40 GJAB COc1ccc(CN(C)C(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 20108029 OSQGYADHJMYGJT-UHFFFAOYSA-N 375.424 4.875 0 40 GJAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 20141968 AMLWLDJWCGAMST-HNNXBMFYSA-N 395.455 4.877 0 40 GJAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 20144084 XGCBIVRKPSLCOB-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB Cc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 20241730 CSVBOTBMZFSMRR-UHFFFAOYSA-N 385.511 4.570 0 40 GJAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(O)=Nc2cc(-c3ccc(Cl)cc3)nn21 20733877 IAMHTNIFRWBWSF-INIZCTEOSA-N 384.798 4.514 0 40 GJAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(OC(F)(F)F)cc1 22088226 VUJJATLOYKAHNI-UHFFFAOYSA-N 387.361 4.512 0 40 GJAB Cc1noc([C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)n1 22967911 CIYHBAMUCDCUSV-LLVKDONJSA-N 399.426 4.757 0 40 GJAB Cc1noc2nc(-c3ccco3)cc(C(=O)NC3CCC(C(F)(F)F)CC3)c12 29614694 XOTJSTYCLALPNF-UHFFFAOYSA-N 393.365 4.642 0 40 GJAB CCOC(=O)/C(=C/c1cccc(C(F)(F)F)c1)P(=O)(OCC)OCC 31841931 MEDXYYIKJQZTTB-KAMYIIQDSA-N 380.299 4.876 0 40 GJAB CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2C 36615946 FGSLUBLSTQSGPB-GOSISDBHSA-N 376.504 4.657 0 40 GJAB O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 39576971 BJALGHSWGXUFNG-UHFFFAOYSA-N 393.361 4.764 0 40 GJAB O=C(Nc1ccccc1Cc1ccccc1)N1CCN(Cc2ccsc2)CC1 40098897 NDDIIDAMTUYZIT-UHFFFAOYSA-N 391.540 4.689 0 40 GJAB CC(C)[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N1CCCC[C@@H]1C 42944761 HQKCUOQSTQXDRT-KBXCAEBGSA-N 398.532 4.736 0 40 GJAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1 48310910 ANWSZHACTZTFSZ-IAGOWNOFSA-N 383.536 4.514 0 40 GJAB Fc1ccc(-n2cc(CN(Cc3cccnc3)Cc3cccs3)cn2)cc1 57796993 VKQMOPAIELNPNM-UHFFFAOYSA-N 378.476 4.670 0 40 GJAB O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)C1CCCCC1 58482498 BYOWETYAQMZHLF-UHFFFAOYSA-N 388.515 4.571 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)c1 59227285 DVFGGHCZRAZNDS-LBPRGKRZSA-N 396.796 4.659 0 40 GJAB Cc1ccc(C)c(-n2nc(C)c(CNCc3ccc4c(c3)OCCO4)c2Cl)c1 61013287 BIYCBZMDXXNOCL-UHFFFAOYSA-N 397.906 4.512 0 40 GJAB CC(C)c1nnc(NC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)s1 69949189 LHWDBJLYBHDTGO-STQMWFEESA-N 384.530 4.960 0 40 GJAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](c1ccc(O)c(Cl)c1)CC(O)=N2 71281684 DRSGLDCIQNWYNF-AWEZNQCLSA-N 389.883 4.944 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N[C@H]2CCc3ccccc32)cc1 72329017 BLAMOBZYHNEDAZ-NRFANRHFSA-N 375.472 4.673 0 40 GJAB C[C@@H]1CCCN(C(=O)CC2(CC(=O)N3CCC[C@@H](C)CC3)CCCC2)CC1 78528506 JSIFUNCNDMRTCQ-WOJBJXKFSA-N 376.585 4.624 0 40 GJAB Cc1ccc2cc(C(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)c(C)nc2c1 89665892 HDOKDJYPWATNLE-XLIONFOSSA-N 380.513 4.641 0 40 GJAB C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cncc(Br)c1Cl 95452778 ROAQSZMYGYTTCL-AAEUAGOBSA-N 394.700 4.907 0 40 GJAB O=C(COc1ccc2occ(C(=O)c3ccccc3)c2c1)Nc1ccc(F)cc1 96184207 FXSKBCKWRCJIOP-UHFFFAOYSA-N 389.382 4.820 0 40 GJAB Cc1cccc(C)c1OCc1nn2c(-c3cc4ccccc4o3)nnc2s1 96193885 CLSTYUVOSWEUKN-UHFFFAOYSA-N 376.441 4.795 0 40 GJAB CCc1cccc(C)c1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102233800 XUNFCFQGFRUMCW-KILAXVPQSA-N 389.923 4.617 0 40 GJAB Cc1nc(-n2cccc2)sc1C(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 207960094 PVFURVXNJVNXQC-KRWDZBQOSA-N 383.492 4.791 0 40 GJAB O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1ccc(Br)cc1 212488964 RCSSZCMDCAWYIG-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222712350 ODQVNQRMADCROM-IIBYNOLFSA-N 391.467 4.646 0 40 GJAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1cccc(OC)c1 224584825 IMXXXZNAYHSTTE-UHFFFAOYSA-N 383.488 4.735 0 40 GJAB Cc1cc(N2CCC(CNC(=O)C(c3ccccc3)c3ccccc3)CC2)ccn1 253398127 GNSKWAVPTAOMSD-UHFFFAOYSA-N 399.538 4.555 0 40 GJAB Cc1csc(Nc2cccc(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)n2)n1 257215370 CPUKICFFJRWMSE-QGZVFWFLSA-N 382.533 4.652 0 40 GJAB CN(Cc1ccccn1)C(=O)c1nc(-c2ccn(C3CCCC3)c2)n2ccccc12 306142972 XPLOGYUDKXMBMW-UHFFFAOYSA-N 399.498 4.585 0 40 GJAB CCCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccccc1 409100901 XEZWVBPWCRERNP-UHFFFAOYSA-N 380.517 4.648 0 40 GJAB O=C(Nc1ccc2cccc(Cl)c2n1)c1c(C(F)(F)F)nc2n1CCCC2 613361850 FTXKOVMHWRLSFL-UHFFFAOYSA-N 394.784 4.692 0 40 GJAB FC(F)c1cc(N2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)ncn1 1612545331 MNUAGJGASQMZFM-UHFFFAOYSA-N 393.652 4.701 0 40 GJAB Cc1ncsc1CN1CCC2(CC1)Oc1ccccc1[C@@H]1O[C@@H](C)CC[C@H]12 1615157569 OVDBSHPDAROKQJ-KLHJMIIUSA-N 384.545 4.735 0 40 GJAB CC(C)(C)C[C@H](NC(=O)N1CCC(O)(C2CC2)CC1)c1ccc(Cl)cc1 1616043704 AGIXGNLHDFJTSV-SFHVURJKSA-N 378.944 4.764 0 40 GJAB COc1ccc2nc(SCC(=O)N3c4ccccc4C[C@H]3C)c(C)cc2c1 933002 ASDRSURUFODIPK-OAHLLOKOSA-N 378.497 4.622 0 40 GJAB CCOC(=O)[C@@H](CC)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 948950 SFGVMJRHTPQJRX-GOSISDBHSA-N 396.439 4.923 0 40 GJAB O=C(Nc1ccc(Br)cc1)/C(Br)=C/c1ccccc1 955917 GDCRBRGQFSECSZ-UVTDQMKNSA-N 381.067 4.824 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)c1 1020381 MAMCMNZFJJCLMK-LOSJGSFVSA-N 399.494 4.800 0 40 GJAB biogenic Cc1sc2nc(C3CC3)nc(SCC(=O)NCCc3ccccc3)c2c1C 1377418 SPNHXCBMHRXJLP-UHFFFAOYSA-N 397.569 4.637 0 40 GJAB Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1 1377803 BOYKIOIIGFQJFA-QZTJIDSGSA-N 385.602 4.929 0 40 GJAB O=C(Nc1ccc(Cl)cn1)c1cccc(-c2cc3ccccc3oc2=O)c1 2417175 HVDIAPCPAJNHLO-UHFFFAOYSA-N 376.799 4.761 0 40 GJAB COc1ccc(C(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1 3244053 YHQDANQAAIZGBV-SFQUDFHCSA-N 384.478 4.785 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncc(C(F)(F)F)cc1Cl 3335734 IUPLGCYENAPOID-SNVBAGLBSA-N 386.826 4.824 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2Oc2ccccc2)c1C 3587742 YETZPVCRPMYJOI-UHFFFAOYSA-N 391.423 4.666 0 40 GJAB O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1 4166972 HUHWNRCBQOHRDU-UHFFFAOYSA-N 376.403 4.801 0 40 GJAB C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)Nc1nc(-c2ccccc2)cs1 4332261 BWMXYDXSKFFWIS-CYBMUJFWSA-N 392.436 4.740 0 40 GJAB O=C(C1CCCCC1)n1nc(-c2cccnc2)nc1NCc1ccc(Cl)cc1 4732418 JHZYFDCKHRQMOG-UHFFFAOYSA-N 395.894 4.826 0 40 GJAB CC(=O)N(C)Cc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 4943211 BIUQJBVIZNFPMO-UHFFFAOYSA-N 385.895 4.527 0 40 GJAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C(C)C)CC2)cc1 4954423 IWEVFPSWGVPYDH-JOCHJYFZSA-N 375.516 4.739 0 40 GJAB Cc1nnc2ccc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nn12 5168896 VLUMFQWMBBHMLN-UHFFFAOYSA-N 385.471 4.650 0 40 GJAB COc1ccc([C@H](CCNCc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 5500481 DOBPIMCXQMEFQY-JOCHJYFZSA-N 393.458 4.875 0 40 GJAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3cccs3)n2)cc1 5636000 YSLMMZXIJXFMKH-GFCCVEGCSA-N 386.498 4.618 0 40 GJAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 6441652 ZZVYAJIZIBBSEX-IZZDOVSWSA-N 396.830 4.846 0 40 GJAB O=C(c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCc2ccccc21 6607630 AWFRITKNZFVKLS-UHFFFAOYSA-N 385.492 4.863 0 40 GJAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 6629525 XYEYZOWNGOJRRM-CPNJWEJPSA-N 383.517 4.606 0 40 GJAB Cc1cc(OCC(=O)N(Cc2ccco2)Cc2ccccc2F)ccc1Cl 6747651 SLOZYPWZCKQYBW-UHFFFAOYSA-N 387.838 4.988 0 40 GJAB CC[C@@H](C)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3 6759402 QDHGGEZMHARVIX-OAHLLOKOSA-N 397.515 4.587 0 40 GJAB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cccc(O)c3)C[C@H]21 7596960 UYNIDVCEECNRFJ-GCJKJVERSA-N 376.412 4.626 0 40 GJAB Cc1ccc(-c2noc(CNC(=O)c3cccc(OCc4ccccc4)c3)n2)cc1 7668678 NUQAXPXUOPWXOC-UHFFFAOYSA-N 399.450 4.554 0 40 GJAB CCOc1ccc(C(=O)CCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 8269441 HOGLYBOSZRUZIJ-UHFFFAOYSA-N 375.852 4.657 0 40 GJAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1ccc(Cl)cc1 9190321 BOKGUTKXAWHLKM-UHFFFAOYSA-N 393.830 4.869 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)C3CCCCC3)cc2c1 9462186 BTZPXBZUFBNPRT-UHFFFAOYSA-N 380.513 4.873 0 40 GJAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)c1ccccc1 9884913 GNLPSVCPVBDVOY-OAHLLOKOSA-N 378.497 4.875 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(N2CCCCC2)cc1 9885236 GKVJWGOOQWPQGJ-UHFFFAOYSA-N 388.515 4.791 0 40 GJAB O=C(NCCCN1CCCCCC1)c1ccc(CSc2ccccc2)cc1 10111098 YTOPQUBCFDIPFT-UHFFFAOYSA-N 382.573 4.975 0 40 GJAB CC(C)[C@@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc12)c1ccccc1 10494354 GGMLTPFEIOACBN-HSZRJFAPSA-N 389.499 4.817 0 40 GJAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 11592831 PSGAAPLEWMOORI-ZSYUOJKMSA-N 386.532 4.655 0 40 GJAB in-vitro CCCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1 12225907 UMSCFIPLUHFEPU-UHFFFAOYSA-N 377.448 4.961 0 40 GJAB O=C(Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1)NCc1cccs1 12389464 BYMWYXCLKFNRDF-UHFFFAOYSA-N 398.431 4.629 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)Cc2ncc(-c3ccc(Cl)cc3)o2)c(C)c1 12992529 XDLLOCWQSWMRDT-UHFFFAOYSA-N 397.906 4.991 0 40 GJAB Cc1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1Cl 13602182 XNWDSBUGOCKABZ-ODLFYWEKSA-N 392.867 4.679 0 40 GJAB COc1ccc(-c2c(C)nn3c2N=C(c2ccco2)C[C@@H]3c2cccnc2)cc1 14607642 HBUCRPHRNASKJX-HXUWFJFHSA-N 384.439 4.969 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 14673431 LTYXSEYKDRYKSR-INIZCTEOSA-N 380.513 4.553 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 14824760 OTJZERWZVMGPKD-UHFFFAOYSA-N 395.261 4.623 0 40 GJAB O[C@@H](CNCc1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccccc1 16477411 JBFKDAVLCDWLDH-NRFANRHFSA-N 385.866 4.881 0 40 GJAB O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2cccnc2)nc2ccccc12 17295598 XSAACZDYCQIFPG-UHFFFAOYSA-N 392.462 4.751 0 40 GJAB biogenic Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)n1 27970821 KZDVRTUPEFGCEN-UHFFFAOYSA-N 389.377 4.699 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)Cc2nc(-c3ccccc3)oc2C)cc1 32900243 MZMNUZJDFUVEKE-OAQYLSRUSA-N 376.456 4.565 0 40 GJAB Cc1nc(C)c(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)s1 32996024 WEMHSYUESXJDHJ-GOSISDBHSA-N 375.497 4.803 0 40 GJAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1F 37210491 ATBWPTNYDGETEX-HXUWFJFHSA-N 386.517 4.843 0 40 GJAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCC[C@H]2CCCC[C@@H]21 40090228 RCRJKRKADYUDIB-QAPCUYQASA-N 387.911 4.894 0 40 GJAB CCOC(=O)c1cc2cc(NC(=O)c3cnn(C(C)(C)C)c3CC)ccc2s1 40151978 YWWUZIVGAOOYRY-UHFFFAOYSA-N 399.516 4.844 0 40 GJAB COc1ccc(Nc2ncccc2C(=O)Nc2cc(Cl)ccc2OC)cc1 40556530 KRUUAMJGDHLDGY-UHFFFAOYSA-N 383.835 4.748 0 40 GJAB CCOc1ccc(-c2csc3c(=O)n(CCC(C)C)cnc23)cc1OCC 44167005 MPTOOOUBJUXQEW-UHFFFAOYSA-N 386.517 4.969 0 40 GJAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)cc1 46012666 AKPBLZLJVYETOJ-UHFFFAOYSA-N 398.466 4.894 0 40 GJAB O=C(Nc1ccccc1OCCc1ccccc1)c1ccn(-c2ccccc2)n1 48287578 OJIGHEFJVQULPN-UHFFFAOYSA-N 383.451 4.746 0 40 GJAB CCc1ccccc1NC(=O)COc1cc(C)nc(-c2ccc(Cl)cc2)n1 49006961 VOVVTNBZKBAARC-UHFFFAOYSA-N 381.863 4.685 0 40 GJAB Cc1nc(S)sc1CC(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 56872694 AUNIINRTGOKBCX-UHFFFAOYSA-N 394.525 4.545 0 40 GJAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 59433393 CKGWEVNGNACHBT-FGEXJBCWSA-N 397.449 4.787 0 40 GJAB O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 59488472 CFOBPLVQNYJQOB-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB Cc1c(F)cc(C(N)=O)cc1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 60829707 ZRSSLTTYTYZXGW-UHFFFAOYSA-N 397.475 4.732 0 40 GJAB COCc1c(C(=O)Nc2cc(F)c(N(C)C)c(F)c2)sc2cccc(F)c12 69485202 XGQMEINBYRVOTB-UHFFFAOYSA-N 394.418 4.783 0 40 GJAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 72374919 KQERNYXALLNMQR-LJQANCHMSA-N 378.520 4.733 0 40 GJAB Cc1ccc2c(c1)O[C@H](C)CN2C(=O)CCCc1ncc(-c2ccccc2)o1 79001221 SZVBFFPSLDJWCV-QGZVFWFLSA-N 376.456 4.787 0 40 GJAB CSc1ccc(NC(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc(F)cc2)cc1 100419822 KLUCXZWHVIVPDN-WOJBJXKFSA-N 399.535 4.865 0 40 GJAB Cc1cccc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)c2ccccc2C)C3)c1 100426207 DFVSUUHSRVHVTD-SFTDATJTSA-N 391.515 4.651 0 40 GJAB O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CCC[C@@H](n2cccn2)C1 102533664 NDSWZLZRZBDGGY-MRXNPFEDSA-N 388.899 4.727 0 40 GJAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](CCc3ccccc3)[C@@H]1[C@H]2C 105363883 FCPKYEAPHJRRQX-UOHDKQONSA-N 385.548 4.987 0 40 GJAB O=C(NCc1ccc2ccccc2c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 222813657 LZXUMMJIMHBBLX-JOCHJYFZSA-N 376.475 4.507 0 40 GJAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 222841793 HHTBBZRILYMCHM-INIZCTEOSA-N 377.937 4.774 0 40 GJAB Cc1cc(O[C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)ccc1Cl 222897098 WLLDZFSPMNDIIX-LLVKDONJSA-N 385.942 4.654 0 40 GJAB COc1ccc2cc(S(=O)(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2c1 223464071 UQGUSSASVAKVGY-QFIPXVFZSA-N 383.513 4.914 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1 224012390 JVPFQYJTUZYJHC-ZDUSSCGKSA-N 385.335 4.569 0 40 GJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225731220 KNOUVKACOMHWQV-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225824938 OXRINYVFXFGGPQ-NRFANRHFSA-N 379.497 4.574 0 40 GJAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C(=O)OCC 225831804 VTIAEJBMRBICAR-OPAMFIHVSA-N 391.508 4.576 0 40 GJAB COc1ccc2ccccc2c1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O 257227338 FOVPWAIECFZDPA-IELSQRAESA-N 393.527 4.867 0 40 GJAB C[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1F 257270465 MUIBWFCFJRHEOR-ODJOKMJGSA-N 384.447 4.874 0 40 GJAB O=C(O)c1ccc(CN2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)cc1 257334233 YFCNIBIKAUIGLZ-NRFANRHFSA-N 394.446 4.830 0 40 GJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1OC 408993028 BLSLQUDYFVJVAX-WHPBGRISSA-N 379.456 4.699 0 40 GJAB Cc1cc(C)n([C@H](CNC(=O)Nc2cccc(C(F)(F)F)c2)c2ccco2)n1 575614624 ZFAVLDNOWYIYGO-MRXNPFEDSA-N 392.381 4.523 0 40 GJAB COc1cc(-c2nc(O)c3c(n2)S[C@@H]2CCCCC[C@H]32)ccc1OC(F)F 1505840487 WWLTUTOICKGHLC-SMDDNHRTSA-N 394.443 4.981 0 40 GJAB Cc1cc(Br)cc(C)c1N1CCC[C@@H](NCc2cccc(O)c2)C1 1656218783 WHAODBIZVFFBMZ-GOSISDBHSA-N 389.337 4.530 0 40 GJAB O=C(NCc1ccccc1F)c1cc2sccc2n1Cc1ccc(F)cc1 1324371 LQARKEZYLZJGPF-UHFFFAOYSA-N 382.435 4.959 0 40 GJAB O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccco1)C1CCCC1 1380107 QAGGKUXCROYGQQ-NRFANRHFSA-N 398.478 4.604 0 40 GJAB C[C@@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)C[C@@H](C)O1 1447533 ROEFXBGBQFYOFH-QZTJIDSGSA-N 384.483 4.701 0 40 GJAB Brc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 3295080 MPWVTGHLUPVAOQ-UHFFFAOYSA-N 391.246 4.520 0 40 GJAB O=C(O)CCCCCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 4119337 BUPDEHNMNYYOPF-UHFFFAOYSA-N 399.057 4.541 0 40 GJAB Cc1ccc(-n2ncc3c(NCCc4ccc(Cl)cc4)ncnc32)c(C)c1 4659361 GVEANTZLLOOQTR-UHFFFAOYSA-N 377.879 4.740 0 40 GJAB CC(C)n1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1F 4736151 VAGWCCSUOPWYOM-UHFFFAOYSA-N 388.443 4.535 0 40 GJAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc2c(c1)OCCO2 4736790 NIVDNNADPNQQME-UHFFFAOYSA-N 385.423 4.562 0 40 GJAB O=C1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)OCCc1ccccc1 4886775 BLWXWRNPYHUOTD-ICDZXHCJSA-N 384.475 4.929 0 40 GJAB Cc1ccc(-c2ccsc2C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 5562730 GCVPZUJLTZILRI-INIZCTEOSA-N 391.492 4.858 0 40 GJAB COc1ccc(CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)cc1F 6009407 GUKHAGNEOALIIY-UHFFFAOYSA-N 379.844 4.574 0 40 GJAB COc1cc2sc(NC(=O)COc3ccccc3Cl)nc2cc1Cl 6441327 RIZIRKWKDRHIMQ-UHFFFAOYSA-N 383.256 4.629 0 40 GJAB O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cc(F)cc(F)c1 7032048 IRGFANDNNLHHRE-LJQANCHMSA-N 385.341 4.641 0 40 GJAB Cc1noc(C)c1CCC(=O)Nc1cc(Cl)ccc1N1CCCCCC1 7987779 DPYUVNPKRLPVPO-UHFFFAOYSA-N 375.900 4.897 0 40 GJAB COc1ccc2[nH]c(SCC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)nc2c1 9096222 YXTOEUHUDZHTOH-DDUZABMNSA-N 376.522 4.668 0 40 GJAB CC(C)c1ccc(/C=C(/C(=O)N(C)C2CCCCC2)n2ccccc2=O)cc1 9434978 AKYGTAOXPBHTEB-XLNRJJMWSA-N 378.516 4.761 0 40 GJAB Cc1ccc(-c2ccsc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 10220131 DIJLVRSWDWXQKF-IBGZPJMESA-N 380.513 4.883 0 40 GJAB O=C(NCCCc1nc2ccccc2[nH]1)C1c2ccccc2Oc2ccccc21 10541723 DURIXZLPBVHSLL-UHFFFAOYSA-N 383.451 4.550 0 40 GJAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NCCc1ccco1 10999172 HXUZOTNDHVAXIR-UHFFFAOYSA-N 376.431 4.859 0 40 GJAB Cc1cc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)ccc1Cl 11615661 XKARREGKJCEJKJ-ODLFYWEKSA-N 392.867 4.679 0 40 GJAB CC(C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2nccnc2c1 12420896 ZCJWHLXUIRPHPV-FQEVSTJZSA-N 378.863 4.617 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2nc3c(C(F)(F)F)cccc3s2)cc1 12813309 KSFYBKNIRLZFKW-UHFFFAOYSA-N 394.374 4.535 0 40 GJAB Cc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)c(Br)c1 12889807 LRZNAWGGGVURLN-UHFFFAOYSA-N 388.290 4.837 0 40 GJAB O=C(Cc1noc2ccccc12)Nc1cccc(OCc2ccc(F)cc2)c1 12989577 LIWWRKWIDGTKPN-UHFFFAOYSA-N 376.387 4.727 0 40 GJAB CC(C)(C)c1ccc(/C(O)=C(/C(=S)NCc2ccco2)[n+]2ccccc2)cc1 13468782 MHPXYPRYKBAARD-UHFFFAOYSA-O 393.532 4.866 0 40 GJAB aggregator COc1ccc2[nH]cc(CCNC(=O)C(c3ccccc3)c3ccccc3)c2c1 13655372 IEBKEYIXCRCZCT-UHFFFAOYSA-N 384.479 4.667 0 40 GJAB biogenic CCOc1c(Br)cc(Cl)cc1NC(=O)Cc1ccc(OC)cc1 14556045 VAZQKRJXMCCYKT-UHFFFAOYSA-N 398.684 4.691 0 40 GJAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(NC(C)=O)cc1 14582976 PQXVOPWGSWJOTD-UHFFFAOYSA-N 380.366 4.705 0 40 GJAB CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H](Sc1ccccc1)c1ccccc1 14701361 XFVKTEYRSGEJSP-JOCHJYFZSA-N 391.492 4.907 0 40 GJAB O=C1CN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c2ccccc2N1 15911650 DREYORBMTDPJEG-UHFFFAOYSA-N 386.329 4.564 0 40 GJAB O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1nccs1 16848911 KWEQKCYBCHKVFN-UHFFFAOYSA-N 388.905 4.744 0 40 GJAB CC1CCN(c2nc(Nc3ccccc3)c3cnn(-c4ccccc4)c3n2)CC1 17246132 PTTXFGAZUOWDPR-UHFFFAOYSA-N 384.487 4.795 0 40 GJAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3cccc(F)c3)cc2n1 19116906 BCEWEITXORPYAQ-MRXNPFEDSA-N 378.373 4.533 0 40 GJAB Cc1cccc(C2(C(=O)N[C@H](C)c3nc4ccccc4s3)CCOCC2)c1 19234524 RKWCJGKMEPSBDN-MRXNPFEDSA-N 380.513 4.530 0 40 GJAB O=C(C1CC1)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373028 SSAJPARIJSOVFB-NRFANRHFSA-N 399.498 4.746 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)c1C 20112208 OFNRSEMIZLCTSR-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1)c1cccs1 20509697 GLKKCIGYZMIYFQ-KRWDZBQOSA-N 395.871 4.971 0 40 GJAB Cc1ccc2nc(NC(=O)CSc3ccc(C(F)(F)F)cn3)sc2c1 21739398 BVADGQIXFTZAQO-UHFFFAOYSA-N 383.420 4.749 0 40 GJAB CC(=O)Nc1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 24628239 RELVVKXKUSGHCI-UHFFFAOYSA-N 387.483 4.989 0 40 GJAB CCn1c(C)cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1C 24890577 UOPRMWPYFWCUAE-UHFFFAOYSA-N 379.485 4.925 0 40 GJAB Cc1ccc(C)c(NC(=O)c2c(N)n(C(=O)c3cccs3)c3ccccc23)c1 28535447 ALSXNILBWXAMKT-UHFFFAOYSA-N 389.480 4.843 0 40 GJAB O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1 35314688 GKFUFGDUKWITAF-JOCHJYFZSA-N 385.467 4.989 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)CCc2ncc(-c3ccccc3)o2)cc1OC 40087545 YQUCWWRDIPRDRP-MRXNPFEDSA-N 394.471 4.559 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)N2CCCc3c(F)cc(F)cc32)o1 48236399 NDYRPBCCEYAPNA-UHFFFAOYSA-N 399.393 4.738 0 40 GJAB CC(C)[C@H]1CN(Cc2ccco2)CCN1C(=O)Nc1ccccc1C(F)(F)F 57729375 HXIVOOXRMGYHAP-GOSISDBHSA-N 395.425 4.673 0 40 GJAB Cc1cccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc34)n2)c1 64949749 JRIMKPDFPJQXLI-UHFFFAOYSA-N 394.434 4.720 0 40 GJAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2Cc2ccc(F)cc2)n1 72354578 YOFASTUGAPZADU-LJQANCHMSA-N 382.870 4.855 0 40 GJAB O=C(CCCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1N1CCCC1=O 79493127 AKYPSACTZNPPRR-UHFFFAOYSA-N 395.890 4.910 0 40 GJAB COc1ccccc1/C=C/c1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 80346259 NCOADNBOEBGCHG-VOTSOKGWSA-N 392.528 4.833 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C 95945972 MRSSCPCWXXTGNX-YCRPNKLZSA-N 382.479 4.636 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219332320 NZQYMUIHURXIRH-UXHICEINSA-N 385.504 4.746 0 40 GJAB O=C(CCCSc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 222684754 MVFQOIZWZRXTFF-UHFFFAOYSA-N 392.927 4.700 0 40 GJAB COc1cc2ccccc2cc1C(=O)NCCOc1ccccc1C(C)(C)C 223715089 CUKIWSHVAHFFGE-UHFFFAOYSA-N 377.484 4.955 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(C)cc1C 224461096 HYKIYYXKEKPUGW-QFIPXVFZSA-N 377.484 4.809 0 40 GJAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1cccc(OC)c1 224585021 ZPUQVXJVHNPYEG-UHFFFAOYSA-N 391.467 4.603 0 40 GJAB CCN(CC)C(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224935207 QYHFYFFMQBCKQA-UHFFFAOYSA-N 380.444 4.508 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCSC2CCCCC2)c1 225591361 PFYUDQUTAUNYIJ-UHFFFAOYSA-N 394.606 4.914 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(OCC)c(C)c2)sc2c1CCCC2 225765242 AETUHDOJAZPYCY-UHFFFAOYSA-N 387.501 4.763 0 40 GJAB COc1cccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)c1 225831975 LQCKFBRIVMABPD-UHFFFAOYSA-N 399.450 4.984 0 40 GJAB CCOc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 225834374 HLRRIEAHZLLFTO-HKWRFOASSA-N 392.480 4.556 0 40 GJAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1cc(-c2ccccc2)on1 225897861 OFMYIXBMQVUEEY-GFCCVEGCSA-N 383.245 4.696 0 40 GJAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)sc2c1 408625515 DSBRMWYJLVCURF-UHFFFAOYSA-N 399.541 4.827 0 40 GJAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)cc1 408695289 PMRMEPNYQYQKHR-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB O=C1N/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1Cc1ccccc1 409251294 USSIXNFVYUWZFC-HKWRFOASSA-N 386.476 4.931 0 40 GJAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)c1 409333281 JJMXYNVKQMAWFH-IGHDPAQPSA-N 392.480 4.535 0 40 GJAB CC(C)[C@@H](Oc1ccc(Br)cc1)c1noc(CCOCC2CC2)n1 508685141 FTAJEYFHYGJGDQ-QGZVFWFLSA-N 395.297 4.577 0 40 GJAB C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1C(=O)c1cc(O)nc2ccccc12 1132351394 PRRAEXMVZQNHMC-JOCHJYFZSA-N 398.865 4.970 0 40 GJAB Cc1cccc(CC(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)c1 1615160831 STQRFXWVTVPXBO-KNQAVFIVSA-N 380.507 4.583 0 40 GJAB O=C([C@@H]1CCCN(C(c2ccccc2)c2ccccc2)C1)N1CCC(F)(F)CC1 2298251272 DFCQOWIEEOQDRS-OAQYLSRUSA-N 398.497 4.746 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1 827297 YWUSAVPNQSUUMM-GFCCVEGCSA-N 396.796 4.659 0 40 GJAB Cc1c(Cl)cccc1NC1=C(Cl)C(=O)N(Cc2ccccc2Cl)C1=O 938214 FWSLTZJCUJCOBO-UHFFFAOYSA-N 395.673 4.733 0 40 GJAB COc1ccc(-c2cc3nc(C)c(C)c(N4C[C@@H](C)C[C@H](C)C4)n3n2)cc1OC 1340850 CQYDSKABIZLRRK-GJZGRUSLSA-N 394.519 4.513 0 40 GJAB Oc1ccc(Br)cc1Sc1cc(Br)ccc1O 1587802 HQRWNPFVXNLBJX-UHFFFAOYSA-N 376.069 4.774 0 40 GJAB CCOc1ccc(C(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1 1924392 SHPHMMKORVMVFL-UHFFFAOYSA-N 377.469 4.565 0 40 GJAB O=C(OCCOc1ccc(Cl)cc1Cl)c1cc(Cl)nc(Cl)c1 2555951 CMNCWSGJUVLPOW-UHFFFAOYSA-N 381.042 4.931 0 40 GJAB O=C(COc1ncnc2ccccc12)Nc1cc(Cl)c(Cl)cc1Cl 3233201 LKWLFZUHYJEWCG-UHFFFAOYSA-N 382.634 4.608 0 40 GJAB CCc1cccc(C)c1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 3273317 RGJBHOLFUSRLQM-UHFFFAOYSA-N 383.463 4.690 0 40 GJAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1cc(Cl)cc(Cl)c1 3311259 SINAXVFINNDIOM-UHFFFAOYSA-N 388.250 4.871 0 40 GJAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccccc1C(=O)c1ccccc1 3350326 YMFATYYHBYVENK-UHFFFAOYSA-N 396.490 4.645 0 40 GJAB C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1nc(-c2ccccc2)cs1 3353536 HSQLNLKRLLWJJE-LLVKDONJSA-N 398.538 4.934 0 40 GJAB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(C)=O)[C@@H]3c2ccc(OC)cc2)cc1 4257784 VGVQKVUMSKPNJG-JNFAEOHTSA-N 390.483 4.847 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)Nc1cccc(Cl)c1 4304998 ZYVDSRLBBLNBBV-IBGZPJMESA-N 381.863 4.859 0 40 GJAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(C)cc1 4816670 CFBOJDMGDJBKLH-RTBURBONSA-N 380.879 4.717 0 40 GJAB Cc1cc(NC(=O)c2cccnc2)cc(-c2nc3cc(Cl)ccc3o2)c1O 4988467 ZGMUDXMBAYBPQF-UHFFFAOYSA-N 379.803 4.810 0 40 GJAB O=C(NCc1cccnc1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 5447304 JOMAATGRIIMHSM-DEDYPNTBSA-N 380.394 4.540 0 40 GJAB CC(=O)c1ccc(OCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 6221218 BLVFMEFBLJCQKZ-UHFFFAOYSA-N 394.496 4.955 0 40 GJAB O=C(CSc1ccccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 7361552 GQKKOMLGLFRSCM-AWEZNQCLSA-N 386.517 4.934 0 40 GJAB Cc1ccc(Cn2nccc2NC(=O)COc2cc(C)ccc2C(C)C)cc1 7696862 LKERMROYYYVVLZ-UHFFFAOYSA-N 377.488 4.689 0 40 GJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2ccccc2F)o1 7718776 BJSZYLSKADNULZ-UHFFFAOYSA-N 392.430 4.964 0 40 GJAB CC1(C)C(c2ccc(Cl)cc2)=[N+]([O-])C(C)(C)C(c2ccc(Cl)cc2)=[N+]1[O-] 7813298 BSZYSYOTMYHAQV-UHFFFAOYSA-N 391.298 4.863 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 7882069 ZPWHBDZCYZZSMW-JSGCOSHPSA-N 377.271 4.542 0 40 GJAB CC[C@H](NC(=S)Nc1cccc(Br)c1)c1ccc(OC)cc1 8107648 RFVGTEAVFCXXTA-INIZCTEOSA-N 379.323 4.895 0 40 GJAB Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)oc2ccc(F)cc12 8269136 IXLOPCHTABBOEA-UHFFFAOYSA-N 396.399 4.985 0 40 GJAB Cc1ccc(C)c(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)c1 8369956 GEZXPCXHVQILJQ-UHFFFAOYSA-N 396.556 4.728 0 40 GJAB O=C(Nc1nnc(CCCOc2ccc(Cl)cc2Cl)s1)c1ccco1 9170540 QPNZRCUYQXLYRX-UHFFFAOYSA-N 398.271 4.702 0 40 GJAB Cc1cccc(C(=O)N(Cc2cc(=O)[nH]c3ccccc23)c2cccc(C)c2)c1 9281884 ADJXSUNXNWINJH-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cc1cc(C)cc(NC(=O)Cc2csc(NC(=O)Nc3cccc(C)c3)n2)c1 9625591 AMWKPSNRIPIQJN-UHFFFAOYSA-N 394.500 4.894 0 40 GJAB CCCn1c(S[C@H](C)C(=O)NC(C)(C)C)nc2ccc(C(F)(F)F)cc21 11021887 BDJYWCOMKVHTMU-LLVKDONJSA-N 387.471 4.860 0 40 GJAB Cc1ccc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1F 11464867 NQNAXNFGYRQGAX-UHFFFAOYSA-N 380.297 4.560 0 40 GJAB Cc1sc(-c2ccc(OC(F)(F)F)cc2)nc1C(=O)Nc1nccs1 11865767 BFNIDIADEVSISA-UHFFFAOYSA-N 385.392 4.726 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc(-c2ccccc2)cs1 12807984 PLRGOHOKQLSZDD-HXUWFJFHSA-N 389.480 4.713 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1nnc(CSc2ccccc2)s1 13844517 ZTKYJIIGVFKKNZ-UHFFFAOYSA-N 391.905 4.501 0 40 GJAB Cc1cc(C(F)(F)F)nn1C[C@H](C)c1nnc(Cc2cccc(Cl)c2)o1 13960112 LGVHYKZRAWXOSZ-JTQLQIEISA-N 384.789 4.641 0 40 GJAB CC(C)[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccs1 15183068 GYVBCQUILYXCQA-IBGZPJMESA-N 385.533 4.506 0 40 GJAB COc1ccc(CCN(C)C(=O)c2sc3ccccc3c2Cl)cc1OC 15427550 XTFGFMDIQLXAJW-UHFFFAOYSA-N 389.904 4.887 0 40 GJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 16687857 ONRBPIOBWBJJSN-RMKNXTFCSA-N 394.254 4.831 0 40 GJAB Cc1cc(C)c2nc(C)c(C(=O)N[C@@H](CCN(C)C)c3ccccc3)cc2c1 19715323 OKUDYHIRGVAOBT-QFIPXVFZSA-N 375.516 4.583 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(OC(C)C)c2)cc1OC 20460878 GREUXDRMZQEABL-AWEZNQCLSA-N 375.490 4.610 0 40 GJAB COc1cccc(-c2nc3cc(NC(=O)COc4cccc(C)c4)ccc3o2)c1 21579417 LOSQEHCEIDOJMN-UHFFFAOYSA-N 388.423 4.829 0 40 GJAB O=C(Nc1ccccc1F)c1cccnc1Nc1cccc(Br)c1 22072849 BMZXSLKQORGTKZ-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB Cc1cc2oc(=O)cc(COC(=O)c3cnc4ccccc4n3)c2cc1C(C)C 22125137 VYGKRNVKFUDLTC-UHFFFAOYSA-N 388.423 4.525 0 40 GJAB CC(C)Oc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1 33326283 BLKNWNFDYNUFKT-UHFFFAOYSA-N 382.485 4.691 0 40 GJAB CSc1cccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1 33331624 SFBINIUISMIRCF-UHFFFAOYSA-N 383.473 4.599 0 40 GJAB Cc1ccc(C[C@H](C)CC(=O)Nc2ccccc2I)cc1 33663933 LXJIZJDQOMEKOW-AWEZNQCLSA-N 393.268 4.807 0 40 GJAB CCOc1ccccc1[C@H]1c2cc3c(cc2O[C@@](C)(N2CCCC2)[C@@H]1C)OCO3 33701660 LPWYMVXRDVBDOS-QQTNTEGQSA-N 395.499 4.786 0 40 GJAB CCOc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 36611714 JTLMRFOWVMZABF-UHFFFAOYSA-N 386.455 4.688 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccccc1F 38756916 FBYDYLJWMRIKAX-LJQANCHMSA-N 375.509 4.650 0 40 GJAB C[C@@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)[C@H]2CCCC[C@@H]21 40133848 ZMHKAXHAYPOCNU-AHRSYUTCSA-N 396.556 4.719 0 40 GJAB CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1cc(Cl)ccc1Cl 45890514 RNERANNNPWPGBS-UHFFFAOYSA-N 382.316 4.772 0 40 GJAB Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OCC(C)C)cc1)c1ccccc1 46086184 NZESAQHLKAOXHO-UHFFFAOYSA-N 391.515 4.919 0 40 GJAB COc1cccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c1 64471592 NMBIJUSKXAZQBK-UHFFFAOYSA-N 379.435 4.752 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2SC(C)C)cc1 72217580 BVUFFLCUBVWJMY-IBGZPJMESA-N 390.574 4.806 0 40 GJAB COc1ccc(OC)c([C@@H]2CC(c3ccccc3O)=N[C@H](c3ccccc3)N2)c1 80325056 VFFVWMVIOSXMPN-URXFXBBRSA-N 388.467 4.632 0 40 GJAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)C1=NO[C@H](c2ccccc2)C1 95360989 VHNICMNHMYXBIC-INIZCTEOSA-N 385.395 4.544 0 40 GJAB C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 95423953 RDVNNIJXAPFBKT-HOYKHHGWSA-N 391.486 4.976 0 40 GJAB Cc1ccc2c(-c3cc4c(CNCC(C)C)cnc(C)c4o3)cc(=O)oc2c1 96115230 NQGZHTSEHHYACR-UHFFFAOYSA-N 376.456 4.964 0 40 GJAB biogenic Cc1c(-c2nnc3sc(CSc4ccncc4)nn23)oc2ccccc12 96194374 FQVSIWWJRGMIIP-UHFFFAOYSA-N 379.470 4.595 0 40 GJAB CC(C)n1cc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c2ccccc21 100148911 FMILMRXZAGAZQI-SFTDATJTSA-N 389.543 4.737 0 40 GJAB C[C@]12CC[C@H]3c4ccc(OCc5ccc(F)cc5)cc4CC[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O 105365896 GWXDJKCRYNAAKC-GVOYAPIASA-N 396.502 4.593 0 40 GJAB C[C@@H](NC(=O)CSCc1cccc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 105920779 MNFMKNHOQGCCDG-RPCCPQHDSA-N 382.367 4.623 0 40 GJAB O=C(c1cnc(-c2ccccn2)s1)N(CC(F)F)c1cccc(Cl)c1 176933137 WIFONCXESUVWEE-UHFFFAOYSA-N 379.819 4.770 0 40 GJAB C[C@](O)(CNC(=O)c1ccc2ncsc2c1)c1ccc(-c2ccccc2)cc1 206702223 VXKXOOVYDQAMBS-QHCPKHFHSA-N 388.492 4.601 0 40 GJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1C 218858276 ZSLVNQPKFRVLSG-ZDUSSCGKSA-N 396.712 4.976 0 40 GJAB CC(C)c1ccc(OCC(=O)NCCSCc2cccc(Cl)c2)cc1 218958786 MWYZCQUYRSMDCD-UHFFFAOYSA-N 377.937 4.892 0 40 GJAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C(C)C 223474219 QLBCHEASIBCAHB-QGZVFWFLSA-N 375.534 4.783 0 40 GJAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)oc1ccccc12 224317657 NNGAILFUVQPEBL-UHFFFAOYSA-N 398.418 4.601 0 40 GJAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 224332303 KIBCZJXRKBOAPB-YADHBBJMSA-N 390.556 4.776 0 40 GJAB CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224661341 YGLVQZOHSLXYLP-UHFFFAOYSA-N 389.517 4.540 0 40 GJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c1 224895443 VLNIXNYFGHPEHE-CQSZACIVSA-N 379.551 4.617 0 40 GJAB CCCO[C@@]1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCC[C@@H](C)C1 225667338 XQAHITWTDCTUFW-QRWLVFNGSA-N 383.916 4.679 0 40 GJAB CCO[C@@]1(C(=O)Nc2ccc(O[C@H](C)COC)c(Cl)c2)CCC[C@@H](C)C1 225718849 ZYBWDZHVSVXTSK-SXGZJXTBSA-N 383.916 4.678 0 40 GJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225736884 MKRHAYJURZVDNP-YWZLYKJASA-N 385.932 4.924 0 40 GJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225826821 QHTKSTUFLNKXKQ-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccnc2)c(Br)c1 226341723 YTYDLBQHFOCTGG-AATRIKPKSA-N 396.668 4.653 0 40 GJAB COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c(N)c1 226348080 PDMKIOGHFZURGH-UHFFFAOYSA-N 387.233 4.552 0 40 GJAB Cc1cccnc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257207344 BHIIWFCMFADGIT-LJQANCHMSA-N 395.890 4.990 0 40 GJAB CC(C)Oc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 408621192 KHYBWIAUQJUNGK-UHFFFAOYSA-N 388.467 4.907 0 40 GJAB C[C@@H](NCc1ccc(CN2CCCC[C@H]2C)cc1)c1ccc2c(c1)CCC(=O)N2 532192866 ZPCQJTOYZQYQFI-RTBURBONSA-N 391.559 4.797 0 40 GJAB CC(C)CN1C(=O)C2(CCN(C3CCCC3)CC2)C[C@@H]1Cc1cccc(F)c1 2037846188 UQQLACDWNBZQPV-QFIPXVFZSA-N 386.555 4.650 0 40 GJAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(F)cc1 855411 LMNYLAXIAQFHOQ-UHFFFAOYSA-N 375.465 4.615 0 40 GJAB Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3c(F)cccc3Cl)c2cc1C 1401782 UXKBWIYUUVKMTL-UHFFFAOYSA-N 381.838 4.849 0 40 GJAB CCOC(=O)c1ccc(N2C(=O)[C@@](Cl)(c3ccccc3)[C@H]2c2ccco2)cc1 1589521 FWKHHZHUPJRWLK-DENIHFKCSA-N 395.842 4.679 0 40 GJAB CCOc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1OCC 2284633 JIEGAZRFXKAQIL-ZHZULCJRSA-N 387.435 4.982 0 40 GJAB COc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1Cl 2343379 NHPQODZBRXQGJD-UHFFFAOYSA-N 393.921 4.701 0 40 GJAB COc1ccccc1-n1cnnc1SCc1csc(-c2ccccc2)n1 2644739 QUXWTMQJDHYQBL-UHFFFAOYSA-N 380.498 4.692 0 40 GJAB O=C(NCc1ccc(Cl)cc1)C(F)(F)Oc1cccc(C(F)(F)F)c1 3117024 VUENTSBOKGIANO-UHFFFAOYSA-N 379.712 4.647 0 40 GJAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3cccs3)nc12 4273301 MFFJDTSIYYTCQF-UHFFFAOYSA-N 395.509 4.917 0 40 GJAB COc1ccc(-c2c(C)c3cc(OC(=O)C(C)(C)C)ccc3oc2=O)cc1OC 4340714 BDIJRMLDCDPSPA-UHFFFAOYSA-N 396.439 4.737 0 40 GJAB biogenic CN(C)CCCN(C(=O)c1ccc(Cl)s1)c1nc2c(F)cccc2s1 4359765 VFPXYDPMTWXNCS-UHFFFAOYSA-N 397.928 4.749 0 40 GJAB CCOc1cccc2c1OC1(CCC(C)CC1)N1N=C(c3cccnc3)C[C@@H]21 4715950 SKRUSHYXAWGBNU-UKAYHFCDSA-N 377.488 4.930 0 40 GJAB Cc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2c2ccccc2)cc1 4815008 CHFJRHLYPSIIJZ-XZOQPEGZSA-N 394.478 4.968 0 40 GJAB O=C(Nc1ccccc1N1CCOCC1)c1ncoc1-c1ccc2ccccc2c1 4932803 GLRXDZDKGRUADC-UHFFFAOYSA-N 399.450 4.584 0 40 GJAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C(C)C)cc1 5100898 UMBFGWSVXWGLKB-HFZDXXHNSA-N 375.449 4.896 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3ccc(C)cc3C)n2)c1 5268063 HQEROWYEGOCAOD-UHFFFAOYSA-N 382.485 4.625 0 40 GJAB C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1[C@H](C)CCC[C@H]1C 5612207 UNHYISUNSMWEAB-GUDVDZBRSA-N 379.500 4.540 0 40 GJAB CCCCn1c(S[C@@H](C)C(=O)c2ccc(C)cc2)nc2ccccc2c1=O 6034808 FQGBFYRJNBKJKM-INIZCTEOSA-N 380.513 4.869 0 40 GJAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1 6097339 KTBJMFIQLPITNO-LJQANCHMSA-N 396.491 4.616 0 40 GJAB CCOc1ccc(-c2nc(NC(=O)c3c(OC)cccc3OC)sc2C)cc1 6355305 KCVHEPZWMHQPSM-UHFFFAOYSA-N 398.484 4.787 0 40 GJAB C[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccccc1F 6612044 IZDNQFNJFJMHHC-CQSZACIVSA-N 391.398 4.634 0 40 GJAB Cc1nc2ccc(NC(=O)COc3ccc(Br)cc3F)cc2s1 6654643 VWWSKAMCOQTFGP-UHFFFAOYSA-N 395.253 4.524 0 40 GJAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Br)c2)C1=O 6654761 QFLJQRAUDSYJCY-YRNVUSSQSA-N 390.686 4.557 0 40 GJAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1nc(-c2ccccn2)cs1 7987801 JWNRZHFGIQWNAC-UHFFFAOYSA-N 395.513 4.592 0 40 GJAB CC[C@H](C)NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 8326641 QNVSNRGMNRSHKL-AWEZNQCLSA-N 378.310 4.925 0 40 GJAB COc1ccc(N2C[C@H](c3nc4ccccc4n3CCC(C)C)CC2=O)cc1 8657267 BLGRRMHEDBEFPP-QGZVFWFLSA-N 377.488 4.612 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H](c1ccsc1)N1CCCC1 8862562 JVQUOXVXFXGCIF-HSZRJFAPSA-N 390.552 4.911 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)cc1 10135528 VXEHSOIVBRJEJZ-UHFFFAOYSA-N 392.455 4.787 0 40 GJAB Cc1ccc(NC(=O)c2cccc(OCc3cn4cccc(C)c4n3)c2)c(F)c1 10393047 SJNHQJDKXYUHMM-UHFFFAOYSA-N 389.430 4.922 0 40 GJAB CCc1ccc(-c2csc(NC(=O)C[C@H](NC(C)=O)c3cccs3)n2)cc1 12486803 KDHFILLVAYABTO-INIZCTEOSA-N 399.541 4.640 0 40 GJAB Cc1cnc2c(S(=O)(=O)Oc3ccccc3-c3ccccc3)cccc2c1 12764523 RTLHPGKYQCKEAR-UHFFFAOYSA-N 375.449 4.978 0 40 GJAB O=C(Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)s1)c1ccco1 12927994 DVJQESNXBWDYCF-UHFFFAOYSA-N 380.347 4.865 0 40 GJAB O=C(COc1cc2ccccc2cc1C(=O)O)Nc1ccc(Cl)c(Cl)c1 13080486 FMAKEPLCAVNGIK-UHFFFAOYSA-N 390.222 4.862 0 40 GJAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nccs3)[C@H]2c2cccs2)cc1 14461726 HWNCVEKYSJCUMN-QAPCUYQASA-N 397.525 4.636 0 40 GJAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 14792842 TZZCHNXXNNAGHH-QGZVFWFLSA-N 397.478 4.840 0 40 GJAB O=c1c(Cl)c(Nc2ccc(F)cc2F)cnn1C12CC3CC(CC(C3)C1)C2 16385301 AUTTVGCQOOIYFM-UHFFFAOYSA-N 391.849 4.844 0 40 GJAB S=C(NCCSCc1ccccc1)Nc1cccc(Br)c1 16944241 OLYSBDLSZXXZNA-UHFFFAOYSA-N 381.364 4.669 0 40 GJAB CCOCCSc1nc2c(c(=O)[nH]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 17145458 ZRGTXQFTGBYVBF-HSZRJFAPSA-N 398.572 4.960 0 40 GJAB C[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2C1 18205459 ZTXBFFRIMLSCDV-PCNHZNLASA-N 384.479 4.975 0 40 GJAB O=C(N[C@H](C[C@@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 19400894 ZXIGFMHJUXKYEJ-JTHBVZDNSA-N 395.522 4.623 0 40 GJAB CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)noc2n1 19462809 IEQZWMFUQHHXDS-WCQYABFASA-N 395.425 4.727 0 40 GJAB CCN(C(C)=O)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(CC(C)(C)C)CC2)C1 19712762 QZEYDBRZRGYRPI-VXKWHMMOSA-N 386.580 4.656 0 40 GJAB O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(Oc2ccccc2)cc1 20041282 GSLUKZWYOUCADJ-QFIPXVFZSA-N 379.481 4.835 0 40 GJAB CCCCC(=O)Nc1ccc(OCC(=O)O)c(-c2nc3ccccc3s2)c1 20157751 ZNVAOBAIAGNEPC-UHFFFAOYSA-N 384.457 4.555 0 40 GJAB COc1cc(NC(=O)[C@H](C)SC2=Nc3ccccc3CS2)cc(OC)c1 22022167 YZKQVVXUAOYOCE-LBPRGKRZSA-N 388.514 4.699 0 40 GJAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(F)cc1 22072599 BXNFSJGQQSDAJQ-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB COc1ccccc1Nc1ncccc1C(=O)Nc1ccccc1Br 22072664 XTGPPOCLDGFCKM-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1nc(CN2CCCCC2)cs1 22288830 LJCWWVZHRNKUPV-UHFFFAOYSA-N 395.528 4.960 0 40 GJAB O=C(c1ccc(F)c(F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22590193 PAFCEUPVYXZJSG-UHFFFAOYSA-N 392.449 4.512 0 40 GJAB O=C(Oc1ccccc1/C=C1/N=C2CCCCCN2C1=O)c1ccc(Cl)cc1 27525370 PDEFAYPEGXTMIO-NBVRZTHBSA-N 394.858 4.715 0 40 GJAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3Cl)c2)o1 29884914 KKQHUMVPIQXLHI-RDTXWAMCSA-N 383.879 4.573 0 40 GJAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4CCCCCC4)c(C)c3cc12 30819161 ALBPXORYRTWWBI-UHFFFAOYSA-N 381.472 4.800 0 40 GJAB C[C@@H](c1cccs1)N(C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 32845091 FOZSZSCRDLPAAY-INIZCTEOSA-N 391.496 4.808 0 40 GJAB Cc1ccc(/C=C/C(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 32903822 KRPVWSNEUDDJJH-SIFUEBAJSA-N 383.442 4.981 0 40 GJAB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(C(=O)O)cc1 35647168 QXXROIYPQHKKLY-VGOFMYFVSA-N 393.251 4.583 0 40 GJAB CCCn1ncc2c(C(=O)Nc3cc(C)nn3C3CCCC3)cc(C3CC3)nc21 36616269 HAKTXWFTFYJWPI-UHFFFAOYSA-N 392.507 4.591 0 40 GJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)NCc3cccs3)ccc1O2 36705416 GUVUABPBTYMDLM-UHFFFAOYSA-N 379.441 4.736 0 40 GJAB O=C(NCCc1ccccc1F)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 40061957 AALPVOAKJBJAJZ-IRXDYDNUSA-N 380.488 4.844 0 40 GJAB CCOc1ccc(-c2nc(CC(=O)N(C)c3nc4ccccc4o3)cs2)cc1 40069746 SAWZJQZBNQSAHJ-UHFFFAOYSA-N 393.468 4.556 0 40 GJAB Cc1cc(=O)oc2cc(OCc3ccc(F)cc3)c(CCC(=O)OC(C)C)cc12 41435680 ROPHVJOZLDQOSO-UHFFFAOYSA-N 398.430 4.704 0 40 GJAB biogenic Cc1nc(C)c(-c2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)o2)s1 45852707 DWCVVROSBQDVHO-UHFFFAOYSA-N 384.486 4.575 0 40 GJAB CC(C)c1cc(C(=O)Nc2nc(-c3cccnc3)cs2)n(-c2ccccc2)n1 72400970 UXYMSOUWCSVSPF-UHFFFAOYSA-N 389.484 4.767 0 40 GJAB Cc1ccnc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)c1 79479044 ANLRITUMXGODDN-OAQYLSRUSA-N 391.515 4.537 0 40 GJAB CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cccc(OC(F)F)c2)cc1 95441880 ALLTXMFCRRQHNP-UHFFFAOYSA-N 385.414 4.529 0 40 GJAB CC(C)Cc1sc(Cl)nc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 96232779 SUPPHNWCIFXPFY-AWEZNQCLSA-N 388.924 4.849 0 40 GJAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 103718688 LCKSJWWRKLNAFI-HNNXBMFYSA-N 390.405 4.820 0 40 GJAB CC1CCN(c2ccc(C(=O)NCC3(N4CCCCC4)CCCCC3)cc2)CC1 141538363 QCTZHKPAPFRQPB-UHFFFAOYSA-N 397.607 4.842 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 216234890 PCWLLJQGYMXXQW-HNNXBMFYSA-N 387.501 4.771 0 40 GJAB CCOc1ccccc1CNC(=O)CSCc1ccc(Cl)c(Cl)c1 216470898 WEULCYNUNXPWHV-UHFFFAOYSA-N 384.328 4.942 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)COc2ccc3ccccc3c2)cc1 222835610 ILSUSZCRCZLZFU-UHFFFAOYSA-N 377.484 4.755 0 40 GJAB CCOc1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)ccc2Cl)cc1 224599760 BRFCTHVSPYCRMZ-UHFFFAOYSA-N 393.814 4.583 0 40 GJAB COc1ccccc1CNC(=S)Nc1ccc(Br)c(Cl)c1 225312578 GARXYOWXQWVSTJ-UHFFFAOYSA-N 385.714 4.598 0 40 GJAB CCc1ccccc1O[C@H](C)C(=O)Nc1nnc(SCc2ccccc2)s1 225604120 KHVUVCHQYZSJJQ-CQSZACIVSA-N 399.541 4.799 0 40 GJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccccc2)c1 225633462 XWTJPUAOANELQF-SZHLLGMXSA-N 390.508 4.705 0 40 GJAB COc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1Cl 225733164 SUFBGWFUGOFZKX-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB CC(C)Sc1ccc(CC(=O)NCc2ccc(-c3cccnc3)nc2)cc1 225764542 INAXETILRBTBRX-UHFFFAOYSA-N 377.513 4.503 0 40 GJAB Cn1cc(C(=O)N2CCCC[C@H]2c2ccc(-c3cccc(Cl)c3)nc2)cn1 257274374 NKTVYICPJLJMSW-FQEVSTJZSA-N 380.879 4.503 0 40 GJAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)N4CCCC4)CCOCC3)cc2)c1 257301022 RWPFTOOJZUNEAH-UHFFFAOYSA-N 377.528 4.932 0 40 GJAB CCc1nc2ccccc2n1Cc1noc([C@H]2C[C@H]2c2cccc(F)c2F)n1 546595508 ACRKKDUSXPGQIZ-KBPBESRZSA-N 380.398 4.579 0 40 GJAB O=C(N[C](C(=O)O)C1CCCCC1)OCC1c2ccccc2-c2ccccc21 1560406754 XDALVGKJVZVWNU-UHFFFAOYSA-N 378.448 4.722 0 40 GJAB Cc1cc(OC[C@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)ccn1 1775971852 VUAINFNAUSTXOY-HNNXBMFYSA-N 393.409 4.732 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OCCC(C)C)cc2)cc1OC 942136 OENVAWQSVZAIQD-WUXMJOGZSA-N 397.471 4.559 0 40 GJAB biogenic Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(-c3ccc(Cl)cc3)nc21 2204555 VIRUBCFTXDNOMC-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB Cc1cccc(C)c1Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)s1 2648620 MASUMCYBEVBVPM-HUUCEWRRSA-N 390.578 4.780 0 40 GJAB COc1cc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc(OC)c1 2760063 NIYFXRYGHZISMK-UHFFFAOYSA-N 387.819 4.782 0 40 GJAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 2802063 USBMUJSWNATPBE-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1sc2ccccc2c1Cl 3239459 GDOVKVSJJDKHBQ-LBPRGKRZSA-N 385.872 4.689 0 40 GJAB Cc1ccc2c(CC(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)coc2c1 3305883 HVSXBPFKYFJBBA-UHFFFAOYSA-N 382.803 4.731 0 40 GJAB Fc1ccccc1OCCSc1nnc(-c2ccco2)n1-c1ccccc1 3346597 VXDLHCMSBOCTKI-UHFFFAOYSA-N 381.432 4.838 0 40 GJAB Cc1ccccc1NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 4592917 OMBHGVXIPDFHQD-HXUWFJFHSA-N 378.859 4.758 0 40 GJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1OC 4866698 DHSNFKSCDGDCQV-UHFFFAOYSA-N 392.386 4.903 0 40 GJAB CC(C)n1cnnc1S[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 5417279 ZQQLLIHHDUBJOA-MRXNPFEDSA-N 396.516 4.557 0 40 GJAB CC(C)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 6154018 BATZRLTVRFIUKM-UHFFFAOYSA-N 395.528 4.558 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(F)cc1 6340634 FUKYSPULRXQPDU-FQEVSTJZSA-N 396.849 4.979 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 6657277 QLEFVEJOMPPTFG-LDADJPATSA-N 398.440 4.620 0 40 GJAB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)Nc1ccccc1 6995439 SWLORKGWKXKSQZ-UHFFFAOYSA-N 388.448 4.759 0 40 GJAB CCc1cc(=O)oc2cc(OCc3nc(-c4cccc(Cl)c4)no3)ccc12 8224023 PJMPFZUDYYKRRB-UHFFFAOYSA-N 382.803 4.638 0 40 GJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1c(OC)ccc2ccccc12 8496554 CWHQVPFFFIUFAY-UHFFFAOYSA-N 392.484 4.522 0 40 GJAB COc1ccc(Nc2nc(Nc3ccccc3)c3cnn(C)c3n2)cc1Cl 9212203 FZGZOCSYNIGKPM-UHFFFAOYSA-N 380.839 4.513 0 40 GJAB Clc1ccc(-n2nnnc2CSc2nc3ccccc3s2)cc1Cl 9340124 MTBYELIUDFSJFL-UHFFFAOYSA-N 394.312 4.871 0 40 GJAB CC(=O)c1ccc(-c2ccc(C(=O)NCCCn3ccc4ccccc43)o2)cc1 12517308 LLCXOYNTENHGRS-UHFFFAOYSA-N 386.451 4.924 0 40 GJAB COc1cccc(N2C(=O)c3ccccc3N[C@H]2/C=C/c2ccccc2OC)c1 12550110 WZGVSQUCNLXSBK-WOOPDLCSSA-N 386.451 4.816 0 40 GJAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12578393 XDDMMLLAOVQBKO-JOCHJYFZSA-N 397.478 4.972 0 40 GJAB O=C(Nc1ccc(-c2nccs2)cc1)c1cc(Br)ccc1F 12898946 FGZKLSIACNXJQY-UHFFFAOYSA-N 377.238 4.964 0 40 GJAB COc1cc(CC(=O)Oc2cc(C(C)C)c(Cl)cc2C)cc(OC)c1OC 13097211 KGNQROSUDYGNHE-UHFFFAOYSA-N 392.879 4.946 0 40 GJAB O=C(Nc1ccc(CN2CCCC2)cc1)c1cc(Br)ccc1Cl 17080462 YISIQURUXSUTQW-UHFFFAOYSA-N 393.712 4.951 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)[C@@H](C)n2nccc2C)n1 19691270 XGKHXBRUUDOTPY-VGSWGCGISA-N 392.478 4.626 0 40 GJAB COc1ccccc1[C@@H]1CC(=O)c2c(C)nc(Nc3ccc(F)cc3)nc2C1 20795856 IRWKCXDDYYEUQA-AWEZNQCLSA-N 377.419 4.589 0 40 GJAB CC(C)n1nccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 22289618 JXGPRRQLEOIUBL-UHFFFAOYSA-N 388.880 4.684 0 40 GJAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 22521975 CQYMZVCUQGHRGQ-GFCCVEGCSA-N 388.316 4.573 0 40 GJAB C[C@@H](SCc1nc(-c2cccs2)no1)C(=O)Nc1ccc2c(c1)CCC2 24843738 JPVCZHGKWKCOPW-GFCCVEGCSA-N 385.514 4.547 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3nc2C)cc1OC 25617655 DIIXXDZJHDYAFZ-HXUWFJFHSA-N 394.446 4.677 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)cc1Cl 28287025 HQSKPGBZHDONBE-NSHDSACASA-N 384.819 4.579 0 40 GJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 30316743 GKEFUWFBFNBRPN-NSHDSACASA-N 375.255 4.668 0 40 GJAB C[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(OCc2cccnc2)cc1 32676323 ZOHYEGZNKNFPRR-MRXNPFEDSA-N 380.875 4.734 0 40 GJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1F)O[C@@H](C)C2 32854023 GLJIJKKUWKARNG-RYUDHWBXSA-N 392.858 4.640 0 40 GJAB CSc1ncc(Cl)c(C(=O)Sc2ccc(Br)cc2)n1 39165326 KEMFHQGQEQJGHG-UHFFFAOYSA-N 375.700 4.547 0 40 GJAB Cc1ccccc1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 39918138 FXSMWVIGXATPQI-GFCCVEGCSA-N 396.796 4.659 0 40 GJAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40082802 UNIXFKKNHNXBLY-UHFFFAOYSA-N 377.341 4.507 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@H](c1cc(Cl)ccc1F)SCC(O)=N2 44891400 VSBQHJYBLZNMBO-KRWDZBQOSA-N 388.855 4.792 0 40 GJAB COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(F)cc3)C2=S)cc1 45932925 HROCSEMXBSXMBH-UHFFFAOYSA-N 396.487 4.767 0 40 GJAB CCn1c(-c2c(C)oc3ccccc23)cs/c1=N\S(=O)(=O)c1ccccc1 54084921 LJIHKSJWTOJTQV-MRCUWXFGSA-N 398.509 4.581 0 40 GJAB Cc1ccc(OCCCCNC(=O)NCCCCOc2ccc(C)cc2)cc1 58158937 FIVWJFNAPDPSCA-UHFFFAOYSA-N 384.520 4.621 0 40 GJAB CC1(C)CC(NCc2cccc(NC(=O)c3ccccc3Cl)c2)CC(C)(C)N1 61003159 UWIOQOGSPPJPLY-UHFFFAOYSA-N 399.966 4.991 0 40 GJAB COC(=O)N1CCC(Nc2ncnc3scc(-c4ccc(C)c(C)c4)c23)CC1 71824457 RYBGUMGVGQNFSZ-UHFFFAOYSA-N 396.516 4.618 0 40 GJAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214615 LHDWQAUWHMVLGZ-INIZCTEOSA-N 391.512 4.915 0 40 GJAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(C)=O 72215291 UTSABZZLJWPEFS-CRAIPNDOSA-N 375.513 4.695 0 40 GJAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CC[C@H](CSc2ccccc2)C1 72303134 GEGOYXAICXVAPC-INIZCTEOSA-N 379.447 4.889 0 40 GJAB O=C(Cc1ccccn1)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396371 CEZMTUWHJFNTBC-IBGZPJMESA-N 396.494 4.574 0 40 GJAB O=C(Nc1cccnc1Oc1ccc2c(c1)N=C(O)CC2)c1ccc(Cl)nc1 72404309 PMYDGXWHNWMUMT-UHFFFAOYSA-N 394.818 4.709 0 40 GJAB Cc1nc(CC(=O)N(c2cc3c(cc2Cl)OCO3)C2CCCCC2)cs1 89709065 IDEHNCLCEGXOCX-UHFFFAOYSA-N 392.908 4.742 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc4ncccc4c3)n2)cc1OC 95956781 CJINYNIUPARYJX-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccc(Cl)s1 96119697 IDSGZXVMQKQKDH-UHFFFAOYSA-N 385.832 4.888 0 40 GJAB FC(F)(F)Oc1cccc2c1[C@@H]1O[C@@H]2C(Br)=C1Br 100644893 CXXOZCNTZGCSRJ-UWVGGRQHSA-N 385.961 4.713 0 40 GJAB Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)cc1 222733845 LPDZEJCNRLYXPD-RTBURBONSA-N 381.526 4.737 0 40 GJAB COc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H](C)Oc1cccc2c1CCCC2 223294892 RKGMHAALCXHUOR-KSFYIVLOSA-N 379.500 4.535 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 223738706 XFEIKGANYHGMEJ-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)o2)cc1 224854382 PYBSJMSAASBOMS-AWEZNQCLSA-N 384.863 4.814 0 40 GJAB Cc1ccc(SCCNC(=S)Nc2ccc(Br)cc2)cc1 225285778 NEBFTOAPEMQUAV-UHFFFAOYSA-N 381.364 4.836 0 40 GJAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1Cl 225573381 LZQOZKHOLINIFX-UHFFFAOYSA-N 391.870 4.955 0 40 GJAB COc1cc(/C=C/c2nnc(N)o2)cc(Cl)c1OCc1ccc(Cl)cc1 226338544 VJUOGTUTFHFLFF-QPJJXVBHSA-N 392.242 4.717 0 40 GJAB O=C(NCC1CCN(C2CCSCC2)CC1)c1ccc(-c2ccccc2)cc1 240067760 SAQWBBROEWPUAR-UHFFFAOYSA-N 394.584 4.691 0 40 GJAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)on1 257232071 GJHYAQPGCCFNKX-IBGZPJMESA-N 379.460 4.744 0 40 GJAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(F)c2F)C1 257267872 MJDVVMCRBBLZJD-UEXGIBASSA-N 377.406 4.982 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 408582357 NCVKBBWPCOEHIN-UHFFFAOYSA-N 383.517 4.577 0 40 GJAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 408626375 GVEOATUIHPJFKC-UHFFFAOYSA-N 381.501 4.971 0 40 GJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)cc2)cc1 408674699 BIPTVPUMQNWCAH-UHFFFAOYSA-N 384.435 4.745 0 40 GJAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3)n2)cc1 408693973 GINSYLPVPVGWHQ-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1nn(CCNC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1-c1ccco1 575615520 PSUDDUQVRUHHNU-UHFFFAOYSA-N 392.381 4.600 0 40 GJAB Cn1ccc2cc(C(=O)N(Cc3ccccc3)Cc3ccc(C(=O)O)cc3)ccc21 585091704 AZNADMZOIPQOPQ-UHFFFAOYSA-N 398.462 4.719 0 40 GJAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(SC)cc2)CC1 819297 IVGSRUDKIQQZKN-UHFFFAOYSA-N 382.573 4.669 0 40 GJAB CN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(F)cc2)cs1 932820 GHENYQCKFBZWHL-UHFFFAOYSA-N 391.265 4.988 0 40 GJAB Cc1ccc2nc3c(cc2c1)c(NC(=O)COc1ccccc1)nn3CC(C)C 2420925 KFCPBPZSOZLQQS-UHFFFAOYSA-N 388.471 4.566 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1(c2ccccc2F)CCCC1 3346198 BDOMNINNTQZMDT-UHFFFAOYSA-N 379.431 4.853 0 40 GJAB COc1ccc(-c2nnc(SCC(=O)c3c(C)c(C)cc(C)c3C)o2)cc1 3459143 SWPZRZDRAXOBBJ-UHFFFAOYSA-N 382.485 4.954 0 40 GJAB Cc1cc(C(=O)N2N=C(CCC(C)C)C[C@]2(O)C(F)(F)F)ccc1Cl 4200068 NTABZWCMEJDVNS-INIZCTEOSA-N 376.806 4.537 0 40 GJAB CC(C)[C@H](c1nnnn1C1CCCCC1)N1CCC(Cc2ccccc2)CC1 4230369 UHAVCMUJIZMVIX-JOCHJYFZSA-N 381.568 4.830 0 40 GJAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 4262959 QJPAMZCEYZNAMQ-LJQANCHMSA-N 383.879 4.730 0 40 GJAB CCc1ccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 4685329 NIXOYFGRMWEGRE-IRXDYDNUSA-N 388.302 4.876 0 40 GJAB COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1cccc(C)c1 4726423 YSAXAUGOOKAJBW-UHFFFAOYSA-N 387.482 4.589 0 40 GJAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=S)Nc1cccc(Cl)c1 4888345 XJKZNTMPHUFNEG-ALOPSCKCSA-N 393.984 4.585 0 40 GJAB CCc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccccc3Cl)C2)cc1 5023127 FXMNXWJUZHQNCK-HXUWFJFHSA-N 398.890 4.835 0 40 GJAB O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 5091904 WXOJHLYALXYYFQ-AQTBWJFISA-N 399.837 4.532 0 40 GJAB N=C1NC(=O)/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)S1 5595579 CXZMSLBQEIKVKM-MTJSOVHGSA-N 383.476 4.981 0 40 GJAB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C\c1cccc(Br)c1 6043671 MQCYDXUNSVOOHT-IUXPMGMMSA-N 386.289 4.962 0 40 GJAB Cc1ccc(F)c(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)c1 6627017 DXJMCVSIYFJVJN-UHFFFAOYSA-N 378.403 4.673 0 40 GJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(OCc2ccccc2)c1 6669895 MYDURHHTXLDJBQ-UHFFFAOYSA-N 399.450 4.588 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(C)Cc3ccsc3)c2n1 7896863 BPBSDYVZNDDXOC-UHFFFAOYSA-N 395.311 4.949 0 40 GJAB O=C1CN(C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c2ccccc2N1 8229685 XLUKZRCPWDQAIZ-UHFFFAOYSA-N 392.842 4.518 0 40 GJAB COc1ccc(CCC(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 8474247 DVLILDUXHHQTSB-HSZRJFAPSA-N 399.494 4.604 0 40 GJAB CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1cccc(Cl)c1 8479464 DHIIUKHNLNNWOP-KRWDZBQOSA-N 381.900 4.686 0 40 GJAB CC(C)[C@H](NC(=O)N(C)Cc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 9871901 QSQOAMRIVYBNHI-QFIPXVFZSA-N 394.494 4.609 0 40 GJAB Cc1nc(S[C@@H](C(N)=O)c2ccccc2)c2cc(-c3ccccc3)sc2n1 10340542 ZELYNWRVLIWIDS-GOSISDBHSA-N 391.521 4.985 0 40 GJAB CCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 11466878 YWWAIHYZKSVIOH-UHFFFAOYSA-N 379.435 4.541 0 40 GJAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3c(C)noc3C)no2)cc1 12185514 OHPLRZLAHJCXKL-IBGZPJMESA-N 395.459 4.713 0 40 GJAB COc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccnc3)C[C@@H]21 12196200 DKJCJNAFDPVDRB-SIKLNZKXSA-N 393.393 4.611 0 40 GJAB COc1ccc2cc([C@H](C)C(=O)NCc3ccccc3OC(F)F)ccc2c1 12797842 BFEQNZAZZUINEK-AWEZNQCLSA-N 385.410 4.870 0 40 GJAB CC(C)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 13324948 ICCVKHRTFWWORN-UHFFFAOYSA-N 377.941 4.875 0 40 GJAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccc(F)cc1 13777758 OYPVOPCWDLCKSV-BGWNEDDSSA-N 397.490 4.733 0 40 GJAB CCc1cccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)c1 14076889 PAUKOZAVNVZNPV-UHFFFAOYSA-N 389.377 4.889 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)c1 17370454 PDOOKEPWJKQMTD-QGZVFWFLSA-N 375.468 4.713 0 40 GJAB O=C(COC(=O)c1cc2sc3ccccc3c2s1)Nc1ccc(O)cc1 18348883 AKMAWGBNEDMKDS-UHFFFAOYSA-N 383.450 4.617 0 40 GJAB Cc1cc(Nc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)c(C)s2)n(C)n1 24835511 FNELPCCETHIBCT-UHFFFAOYSA-N 383.521 4.889 0 40 GJAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cnn(-c2ccccc2)c1C1CC1)CC3 25547985 PGJFQUCGDGJKFB-UHFFFAOYSA-N 396.494 4.738 0 40 GJAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1 27385545 VRRHNXHUYJNCOG-UHFFFAOYSA-N 393.443 4.804 0 40 GJAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1c(F)cccc1Cl 27515274 UHKOEZXSRDECAP-UHFFFAOYSA-N 380.810 4.750 0 40 GJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 32462709 ODUNONFPJSFDAP-MRXNPFEDSA-N 388.964 4.733 0 40 GJAB COc1cccc(NC(=O)[C@@H](NCCc2c[nH]c3ccccc23)c2ccccc2)c1 34872870 YGEPUFXXQGFEAK-DEOSSOPVSA-N 399.494 4.689 0 40 GJAB CN(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 38308502 HXESJOMKFDHHCM-UONOGXRCSA-N 397.363 4.719 0 40 GJAB Cc1ccc(-n2cc(-c3nc(-c4cccnc4)no3)c3ccccc3c2=O)cc1C 38486892 BEMUNDMHKDNMAZ-UHFFFAOYSA-N 394.434 4.720 0 40 GJAB CCCSc1nnc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)s1 39989145 TZULRCGJBVYMQP-LBPRGKRZSA-N 379.551 4.744 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)N(C)Cc1nc2ccccc2s1 40099156 RMUARXPPKKEIPU-UHFFFAOYSA-N 375.881 4.931 0 40 GJAB O=C(NCCc1cccs1)c1[nH]c2ccc(Br)cc2c1Cl 40145050 YWTIVYVTLOSDDO-UHFFFAOYSA-N 383.698 4.618 0 40 GJAB Cn1c(CN2CCC[C@@H](c3nc4ccccc4o3)C2)nc2cc(Cl)ccc21 48374615 NQXWZXAHLSMNBF-CQSZACIVSA-N 380.879 4.748 0 40 GJAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1 59418705 BLFYHABYCWKVGQ-LQDNNDEMSA-N 399.877 4.742 0 40 GJAB Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1c(F)cc(F)cc1-c1ccccc1 67494602 PIUIQDNCRFXMHF-CMDGGOBGSA-N 387.817 4.979 0 40 GJAB Cc1ccc(C(N)=O)cc1NC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 72289440 YTJPZONUKDWILG-UHFFFAOYSA-N 383.467 4.600 0 40 GJAB Cc1ccc([C@@H]2c3ccccc3NC(=O)CN2C(=O)c2ccccc2Cl)cc1 72314649 UOWJOZALKZWYLN-JOCHJYFZSA-N 390.870 4.832 0 40 GJAB CC(C)NC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 72324938 QWNKCIOVTYAJMU-OAQYLSRUSA-N 376.500 4.658 0 40 GJAB biogenic O=C(c1ccc(F)cc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72348681 KUCLNVDQHYICLF-IBGZPJMESA-N 392.449 4.970 0 40 GJAB O=C1N=C(Nc2ccc(F)cc2)/C(=C/c2c(Cl)nc3sccn23)S1 72401452 WHQQLKJVCNWTHN-XFFZJAGNSA-N 378.841 4.907 0 40 GJAB Cc1cccc(-c2nc(CC(=O)NC[C@H](c3cccnc3)C(C)C)cs2)c1 79049106 FKUJKAUUZPWZHB-FQEVSTJZSA-N 379.529 4.612 0 40 GJAB O=C(CCc1ccc(C(F)(F)F)cc1)NCC1(c2cccs2)CCOCC1 96120241 OBVLHEFEISEDJR-UHFFFAOYSA-N 397.462 4.564 0 40 GJAB COc1cc(C)c(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1OC 97013746 ASITZGXMFREUBV-UHFFFAOYSA-N 396.468 4.591 0 40 GJAB Fc1cccc([C@H](NCc2cncs2)c2cccc(Br)c2)c1 97019031 LZNBKIMBMFGOBJ-QGZVFWFLSA-N 377.282 4.924 0 40 GJAB Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C(=O)Nc2ccccc2C)c1 100426144 QTMSEKCYYBAMSR-SFTDATJTSA-N 391.515 4.651 0 40 GJAB Clc1ccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)n3nnnc3N2)cc1 100980132 SMMHLDYYSCNFPL-HNNXBMFYSA-N 378.650 4.689 0 40 GJAB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccco1 102362713 QXRGOEYOJSGCPT-VGWMRTNUSA-N 396.516 4.838 0 40 GJAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)CC1=O 103718882 DIPOXDPZEOOALM-HNNXBMFYSA-N 384.907 4.938 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc(OC)c3OC(C)C)N21 222659752 PDFWXCFSJKKYRU-CDHQVMDDSA-N 397.544 4.857 0 40 GJAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)s1 223047426 GPXJDGLKJDYKCI-INIZCTEOSA-N 387.530 4.990 0 40 GJAB CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223746448 VQCXZEUOUKVWHZ-UHFFFAOYSA-N 387.545 4.734 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C(C)C 225012858 FLHFNZYJZFRAHN-LEWJYISDSA-N 382.577 4.996 0 40 GJAB C[C@H](NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1)c1ccccc1 242754696 DIVVSLMMMRFRKW-SFHVURJKSA-N 392.543 4.714 0 40 GJAB CN(C)Cc1ccc(OCCCCCCOc2ccc(CN(C)C)cc2)cc1 248149923 XBKXUDARFVPOLJ-UHFFFAOYSA-N 384.564 4.828 0 40 GJAB CC(=O)N[C@]1(C)C[C@H](c2cccc(-n3nc(C)cc3C)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257227521 FPTKDQPXCMEJMS-IWLVLQTDSA-N 395.547 4.650 0 40 GJAB O=C(Cc1cc2ccccc2c(O)n1)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 574614953 CYUSYXZEMQJEBP-LPHOPBHVSA-N 394.902 4.979 0 40 GJAB Cc1nn(CCNC(=O)CCc2cccc(Cl)c2)c(C)c1-c1ccsc1 575614784 HNRHNOGBKGYHBO-UHFFFAOYSA-N 387.936 4.631 0 40 GJAB COc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)c(OCCC(C)C)c1 1523466452 WKZCGAGBMDIMIN-INIZCTEOSA-N 375.431 4.827 0 40 GJAB C[C@H](C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1)c1ccccc1 1528558180 HFGBNMFFZNVIOA-KKSFZXQISA-N 386.486 4.800 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CCC[C@@](O)(COc3ccc(F)cc3)CC2)cc1 2037912211 GXNQOZDXOPLMSN-DEOSSOPVSA-N 399.506 4.559 0 40 GJAB COc1cc(OC)c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 683178 LHTHNUQLCGCQPS-UHFFFAOYSA-N 389.757 4.637 0 40 GJAB O=C(N[C@]1(C(Cl)(Cl)Cl)Oc2ccc(Cl)cc2O1)c1ccccc1 1050517 KGICMMYHELQHQG-OAHLLOKOSA-N 393.053 4.565 0 40 GJAB CCOc1ccccc1NC(=S)NC(=O)/C=C/c1cccc2ccccc12 2137176 ZUUTUVIAAIMKFL-CCEZHUSRSA-N 376.481 4.765 0 40 GJAB O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccccc1 2248156 KIPKCUQYZOQNAN-UHFFFAOYSA-N 391.434 4.711 0 40 GJAB Cc1ccc2cc3c(NC(=O)c4ccccc4F)nn(CC(C)C)c3nc2c1 2409775 CYIMXIXRBIWBKO-UHFFFAOYSA-N 376.435 4.940 0 40 GJAB CCC(=O)Oc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 2807383 VUSURAMGBDSARJ-XMHGGMMESA-N 377.440 4.644 0 40 GJAB CC1CCN(Cc2nc(N3C[C@@H](C)C[C@@H](C)C3)c3c4c(sc3n2)CCC4)CC1 3504499 QWMAEGORXUJQDA-CALCHBBNSA-N 398.620 4.894 0 40 GJAB CCCCNC(=S)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O 4132582 QJECKMMWGGXRFR-UHFFFAOYSA-N 393.556 4.513 0 40 GJAB C[C@@H](c1ccccc1)n1c(CCNC(=O)C2CCCCC2)nc2ccccc21 4906606 PNLIKNYEMNYTKQ-SFHVURJKSA-N 375.516 4.885 0 40 GJAB Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 5164296 VVUPZNIMWNJEHN-XXBNENTESA-N 388.398 4.797 0 40 GJAB O=C(CCc1nc2ccccc2[nH]1)NCC[C@@H](c1ccc(F)cc1)c1ccco1 5209732 ZSHYHEXRTPVDNN-SFHVURJKSA-N 391.446 4.566 0 40 GJAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(Cl)c3ccccc23)c1 6582713 KUAPOYJUFNYRKB-ZDUSSCGKSA-N 385.847 4.916 0 40 GJAB Cc1nc(SCC(=O)NCCc2c[nH]c3ccccc23)n(C2CCCC2)c1C 7031031 OVGKCHQBRLNBCA-UHFFFAOYSA-N 396.560 4.547 0 40 GJAB Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccc(Br)cc2)o1 7194975 DDJXSQGJHNKXMJ-SNVBAGLBSA-N 393.262 4.764 0 40 GJAB COc1ccc(CN(Cn2nc(C)n(-c3ccccc3C)c2=S)C2CC2)cc1 7316446 KHDYJZOMALWIPH-UHFFFAOYSA-N 394.544 4.651 0 40 GJAB O=C(c1ccc(-n2cccn2)cc1)N1CCc2sccc2[C@H]1c1cccs1 7948262 BCPBAIMMLWPDAP-FQEVSTJZSA-N 391.521 4.783 0 40 GJAB Cc1cc(-c2csc(NC(=O)[C@H]3CCCO3)n2)c(C)n1CCc1ccccc1 8073200 PQCYWPUIYDOPIZ-HXUWFJFHSA-N 395.528 4.589 0 40 GJAB CCOc1ccc(CN(CC)C(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1OC 8073719 HBLQFXXPMNFZKL-UHFFFAOYSA-N 380.488 4.854 0 40 GJAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1C 8673491 QJUQNXWNEVNDNV-NRFANRHFSA-N 387.907 4.543 0 40 GJAB Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2)c1 9361102 QQCMAZVVZZQSKX-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB COc1cc(CNC(=O)c2cc(Cl)ccc2Cl)ccc1OC(F)F 10441115 FNUGXTDZJUILEQ-UHFFFAOYSA-N 376.186 4.533 0 40 GJAB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C(=O)c1ccccc1 16807298 AKXHPFJLHUZQDI-UHFFFAOYSA-N 389.842 4.818 0 40 GJAB CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)noc2n1 19462811 IEQZWMFUQHHXDS-AAEUAGOBSA-N 395.425 4.727 0 40 GJAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c(C)c1 20144048 AUXSLNLMVNDTLC-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB CCCCCC(=O)Nc1ccc(OCC(=O)O)c(-c2nc3ccccc3s2)c1 20157744 XTMJHORUDHTSLI-UHFFFAOYSA-N 398.484 4.946 0 40 GJAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1ccc2ccccc2c1 21000930 VMBFLANKQHQKET-UHFFFAOYSA-N 386.476 4.848 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 22523931 JPBYSDHHPIQSHA-FCHUYYIVSA-N 385.504 4.765 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 22990546 PHTOAVBENUYXFF-GFCCVEGCSA-N 381.501 4.685 0 40 GJAB COc1cccc(CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 23568500 JXXKSAPLPVOQJG-UHFFFAOYSA-N 389.455 4.611 0 40 GJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCc1ccco1 24504652 AEHCYMRLNKRSFY-KRWDZBQOSA-N 376.456 4.684 0 40 GJAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 27824454 YSNIWDWXGBYDJA-GJZGRUSLSA-N 387.973 4.884 0 40 GJAB Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3cccs3)N(C)C)sc2c1 28287532 SPOSQEQLYRVFSV-CYBMUJFWSA-N 378.950 4.957 0 40 GJAB COc1cc(CN[C@H](C)c2cccc(Br)c2)cc(Cl)c1OC 28925713 CMWPSGPXMILWOF-LLVKDONJSA-N 384.701 4.971 0 40 GJAB O=C(NCCc1ccccc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 32901970 CTOPEBQBIGLEBD-UHFFFAOYSA-N 381.479 4.571 0 40 GJAB CC(=O)N1N=C(c2ccc(C)cc2)O[C@H]1c1cccc(OCc2ccccc2)c1 41097663 SYGHCSXDSVFNEL-DEOSSOPVSA-N 386.451 4.813 0 40 GJAB Cc1sc(NC(=O)c2ccc([S@](C)=O)cc2)nc1-c1ccc(Cl)cc1 47983121 CURIWIZHVOYQTJ-RUZDIDTESA-N 390.917 4.762 0 40 GJAB Cc1cc(=O)oc2cc(NC(=O)c3ccc(COc4ccccc4F)o3)ccc12 49574316 UENYBKAXTULPMU-UHFFFAOYSA-N 393.370 4.665 0 40 GJAB O=C1c2ccccc2N[C@@H](c2cccc(C(F)(F)F)c2)N1Cc1cccnc1 57771013 IAXMIZJNOAJLEB-LJQANCHMSA-N 383.373 4.867 0 40 GJAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(Cl)cc1Cl 58356195 HCTADDNTGGWHFH-UHFFFAOYSA-N 378.303 4.699 0 40 GJAB CN(C)c1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 64471618 NOBJMGAUMLNVHD-UHFFFAOYSA-N 392.478 4.810 0 40 GJAB Cc1ccc(-c2nc(C(=O)N(C)c3ccc(Br)cc3F)cs2)o1 97712465 CUPLAMOCAYMRGU-UHFFFAOYSA-N 395.253 4.890 0 40 GJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1 142406880 ADYITPCIKQLRNK-QGZVFWFLSA-N 383.488 4.559 0 40 GJAB COc1cc(NC(=O)c2ccccc2)ccc1NC(=O)c1ccccc1Cl 198359264 JNLJWNNXAWLFAQ-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB Cc1cc2c(N)c(C(=O)N3C[C@@H](C)C[C@H](C)C3)sc2nc1-c1ccccc1 215683557 UOJFHNUCCQDOAD-KBPBESRZSA-N 379.529 4.972 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 219320623 MEJGGHPSHACFGT-LJQANCHMSA-N 375.896 4.645 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)CSCc1cccc(C)c1)CC(C)(C)O2 222745600 FHNHCKXMPPZSPN-IBGZPJMESA-N 385.529 4.655 0 40 GJAB C[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCC2 223201263 ADHIAMAQBARJBX-GFCCVEGCSA-N 384.328 4.663 0 40 GJAB COc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(Cl)c(C)c1 224202795 CPPPWGMOPWRNHG-UHFFFAOYSA-N 385.847 4.759 0 40 GJAB CCCc1ccc(OCCNC(=O)CCCc2nc3cc(C)ccc3o2)cc1 224950617 HWLXKYINMGPUPK-UHFFFAOYSA-N 380.488 4.607 0 40 GJAB Cc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)c(I)c1 225024805 PYZPWHFNWBVPHT-AWEZNQCLSA-N 393.268 4.707 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)CCc2ccc(OC)c(OC)c2)c2ccccc2O1 225061738 XJTAPMCBMXDUDN-LJQANCHMSA-N 397.515 4.835 0 40 GJAB COc1ccc(-c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2N)cc1OC 225182590 UOYNWUFZEMJTKK-UHFFFAOYSA-N 397.784 4.811 0 40 GJAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1Cl 225576557 NDFUIYNIGAYELR-OAHLLOKOSA-N 376.909 4.937 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1C(C)C 225786833 DQDCPNBUSHLTSO-KRWDZBQOSA-N 375.534 4.783 0 40 GJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)NCc1cccc2ccccc12 225810065 YIAQXRNJYBTXCI-UHFFFAOYSA-N 391.858 4.792 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)NCCCc1cccc2ccccc12 225814926 AILSAVXZYQWNQL-UHFFFAOYSA-N 387.401 4.986 0 40 GJAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C)n1 225876161 PIUZMYQQHOHTTH-UHFFFAOYSA-N 388.895 4.519 0 40 GJAB CCOc1ccc(C2=NN3[C@H](c4ccsc4)Oc4ccccc4[C@H]3C2)cc1 240122652 WFFFIFOIKNIYGN-IRLDBZIGSA-N 376.481 5.389 0 40 GJAB CNC[C@H]1CC[C@H](c2cc(CN(C)CC[C@H](C)c3ccccc3)n(C)n2)CC1 257277730 NZDNDERJOJHPRF-ONTIZHBOSA-N 382.596 4.539 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H]3CCC[C@@H](C)C3)cc12 328593207 CMYYGKHAGAIHGV-CXAGYDPISA-N 385.508 4.902 0 40 GJAB O=C(c1cccc(Cn2ccnc2)c1)N1CC2(CCCC2)c2c(F)cccc21 513369528 ATOPALGBFFRMAM-UHFFFAOYSA-N 375.447 4.543 0 40 GJAB O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCc2c([nH]c3ccccc23)C1 524730331 FMUPUGCMCNCKGZ-NRFANRHFSA-N 375.497 4.595 0 40 GJAB biogenic Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2ccccc2SC(F)F)C1 575615017 AUKFCVIIJKBCEH-CQSZACIVSA-N 387.455 4.747 0 40 GJAB O=C(NCc1nccnc1-c1cccs1)Nc1ccc(C(F)(F)F)cc1 575620311 LXDIGEJOUKRJMO-UHFFFAOYSA-N 378.379 4.546 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccsc1)c1ccco1 675007832 TTWLKKFQPXMOAP-CQSZACIVSA-N 396.295 4.975 0 40 GJAB COC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc(O)cc2)CC1 2037926451 LEPNFEKBJMGQBZ-UHFFFAOYSA-N 396.314 4.759 0 40 GJAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)CC)cc2c1 1366955 DMUXFRFISXSGSZ-UHFFFAOYSA-N 398.890 4.519 0 40 GJAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NC[C@H]4CCCO4)ncnc32)c1 1447698 XMBVQVRWJNIZJO-HXUWFJFHSA-N 384.483 4.987 0 40 GJAB O=C(CCc1nc(-c2ccccc2)no1)Nc1cc(C(F)(F)F)ccc1Cl 2196254 WQNOHGHOTAVOHN-UHFFFAOYSA-N 395.768 4.980 0 40 GJAB O=C1O[C@@](Nc2ccc(Br)cc2)(c2ccccc2)c2ccccc21 2893091 IGCDQVLGLJPBHQ-FQEVSTJZSA-N 380.241 4.933 0 40 GJAB CCOc1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)ns2)cc1 2917535 CCSJHOSMPRKQCO-UHFFFAOYSA-N 385.514 4.643 0 40 GJAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 3336724 OXEXCXKRPXMOBZ-UHFFFAOYSA-N 387.407 4.602 0 40 GJAB COc1ccc(NC(=O)CSc2cc(C)c3cccc(C)c3n2)cc1OC 3406623 SAPOFGKDXFJDFE-UHFFFAOYSA-N 382.485 4.600 0 40 GJAB COc1ccc(C(C)=O)cc1COc1ncnc2sc3c(c12)CC[C@H](C)C3 3597448 NVZQNDNCWGELDP-LBPRGKRZSA-N 382.485 4.606 0 40 GJAB COc1ccc(OC)c2sc(NC(=O)c3ccc(Cl)cc3Cl)nc12 4330948 FMIALNPCFBORSN-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccccc3)n3ccccc23)cc1C 4585216 NIXCBWBEYBNUFX-UHFFFAOYSA-N 383.451 4.622 0 40 GJAB CC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 4816847 MYUFUSQOGBNFNF-ROUUACIJSA-N 387.270 4.672 0 40 GJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)c(F)c2)cc1 4854437 XJAXMONLRVHUGQ-NRFANRHFSA-N 397.425 4.802 0 40 GJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)o2)sc2c1CC[C@H](CC)C2 5235458 MFFMGZAQJIYVDS-MARXPDLDSA-N 387.501 4.993 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)CC(C)(C)C)c1 5259013 VGAQALRPNNHERS-UHFFFAOYSA-N 383.879 4.722 0 40 GJAB Cc1cc(C)c(C(=O)COC(=O)c2ccccc2NCc2ccco2)cc1C 5894564 OQWYFOKEIGIHCJ-UHFFFAOYSA-N 377.440 4.857 0 40 GJAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(OC)c(Br)c2)c1 6555310 FGADQLXPBKOLIQ-LBPRGKRZSA-N 378.266 4.887 0 40 GJAB CCCN1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O 6629570 TXJFYXHUEPDFPB-RVDMUPIBSA-N 391.290 4.686 0 40 GJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(Cl)c2)cc1 6630409 NQIHEPCYCWTXMG-UHFFFAOYSA-N 394.858 4.759 0 40 GJAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(Oc2ccccc2)c1 7405389 GPLUWOUMFXEWFH-UHFFFAOYSA-N 388.467 4.806 0 40 GJAB COc1cccc(C(=O)C[C@H](c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 8475349 ZWDWELVADSKLSY-HSZRJFAPSA-N 394.492 4.792 0 40 GJAB CCCC[C@H](Sc1nnc(-c2ccccc2)n1CC)C(=O)Nc1cc(C)on1 8709446 BNMDANABOWHCQS-INIZCTEOSA-N 399.520 4.551 0 40 GJAB O=C([C@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1)N1CCCCC1 8753279 DWKYYIHOVJBHJD-HXUWFJFHSA-N 393.512 4.506 0 40 GJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc2nnsc2c1 11692739 NODQGPFKYNIEKC-UHFFFAOYSA-N 386.889 4.644 0 40 GJAB O=C(COc1c(Cl)cccc1Cl)Nc1ccccc1OCC(F)(F)F 12730841 VURDNBZEWFRCDM-UHFFFAOYSA-N 394.176 4.952 0 40 GJAB CC(=O)N(c1nc(COC(=O)c2ccsc2)cs1)c1cccc(C)c1C 14202363 MKEMYULLRGTDIL-UHFFFAOYSA-N 386.498 4.863 0 40 GJAB O=C(Nc1ccc(F)cc1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 14609429 JLPVSIQHXQCFAJ-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@@H](c3ccsc3)C2=O)c1C 15412721 GBFQESYQEPFMKR-NRFANRHFSA-N 394.471 4.625 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2n1-c1ccccc1 15913142 BVBFOYBORYKPQX-IAGOWNOFSA-N 379.529 4.907 0 40 GJAB Cc1cc(NC(=O)c2ccccc2Br)ccc1-c1ccc(CO)o1 20137842 YYJHZZFIBWPPCB-UHFFFAOYSA-N 386.245 4.762 0 40 GJAB Cc1nc(Nc2nc(-c3ccccc3)cs2)ncc1C(=O)Nc1ccccc1 20799696 VZSJNYUHKKGHEP-UHFFFAOYSA-N 387.468 4.904 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cn1cnc3ccccc31)CC2 23508615 MITHCGYJFWXZPJ-VWLOTQADSA-N 399.494 4.659 0 40 GJAB CC(C)[C@H](NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 24702780 YRLOWYPHODPAQE-SFHVURJKSA-N 375.312 4.577 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1)c1ccco1 25325982 JVMSITWKOGRDBG-IBGZPJMESA-N 378.403 4.648 0 40 GJAB O=C(CSc1nnc(SCc2cccs2)s1)Nc1cccc(F)c1 32823801 TVSUKSAUEHLGPL-UHFFFAOYSA-N 397.547 4.762 0 40 GJAB Cc1cccc2sc(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)c(Cl)c12 32906367 PEJFDYZLJIGUNX-ZDUSSCGKSA-N 396.903 4.935 0 40 GJAB COc1c(Br)cc(Cl)cc1NC(=O)[C@H](C)OCc1ccccc1 32937979 IKKYVGHYWIEPFP-NSHDSACASA-N 398.684 4.655 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@H](C)CCc3ccco3)c12 36613977 RDFSOPSDKVVABM-CYBMUJFWSA-N 393.418 4.681 0 40 GJAB Cc1cccc(-n2ncc(C(=O)O[C@@H](c3ccccc3)c3ccncc3)c2C)c1 48368857 XFSICJFUQBJJIY-QHCPKHFHSA-N 383.451 4.831 0 40 GJAB Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC[C@H](C)C4)cc3)cc12 57712678 FWEOOLXQCRBINC-INIZCTEOSA-N 375.516 4.993 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1C 59351234 DCVVUMYZGZYLQL-CABCVRRESA-N 376.294 4.711 0 40 GJAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCc1cccc(N(C)C)c1 60277312 IVBYPUVCOVUBLC-UHFFFAOYSA-N 391.949 4.829 0 40 GJAB CCC(=O)c1c(N)sc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2 64220285 ULIBYJMBJWFJQE-UHFFFAOYSA-N 389.830 4.553 0 40 GJAB CCc1ccccc1NC(=O)CSc1cc(C)nc(-c2ccc(OC)cc2)n1 67257561 PIWKYWWUYNGWSB-UHFFFAOYSA-N 393.512 4.754 0 40 GJAB CCOCCCn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O 67259179 ZFEHHGKQFJYXII-UHFFFAOYSA-N 388.920 4.769 0 40 GJAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1cccnc1N1CCCCCC1 72216697 XLYFKQCHIZZSGE-OAQYLSRUSA-N 379.504 4.936 0 40 GJAB C[C@H](c1ccccc1F)N(C(=O)NC1CCN(Cc2ccccc2)CC1)C1CC1 78702664 JYMMRLAJKXGKHO-GOSISDBHSA-N 395.522 4.725 0 40 GJAB CS[C@H](C)c1cccc(NC(=O)NCc2ccc(F)c(CN(C)C)c2)c1 84656178 DMVRRPMOLTXDDD-CQSZACIVSA-N 375.513 4.633 0 40 GJAB Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)Cc1ccsc1 89547853 VQMVPFKZIWSADC-UHFFFAOYSA-N 379.407 4.738 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 96627688 WMNASJRPHONPBO-OAHLLOKOSA-N 396.384 4.575 0 40 GJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)n1 100738834 UDHGYTHGEQJTMD-TYKWCNGQSA-N 392.547 4.817 0 40 GJAB C[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(F)cc1 222743198 CCYJXPMLZCZLDF-CPOQMQJTSA-N 394.471 4.536 0 40 GJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C 223487935 SIRJPPKBGNFVKI-TZIWHRDSSA-N 382.523 4.840 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 223658505 FCLSAYFTBPXXAA-QHCPKHFHSA-N 394.559 4.651 0 40 GJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc2c(c1)CCCC2 225635476 MTBSKEQDDSXLSP-UHFFFAOYSA-N 381.863 4.541 0 40 GJAB Cc1cc(C)c(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C 225653023 HKWDBAVZGAGYKQ-UHFFFAOYSA-N 377.488 4.889 0 40 GJAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(=O)OC 225755267 ONIZXSOQEMFZQD-UHFFFAOYSA-N 381.472 4.713 0 40 GJAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)C(C)C 225761691 SCFHHYYZMVHHGY-OAQYLSRUSA-N 381.545 4.806 0 40 GJAB Cc1ccccc1-c1noc(CNC(=S)Nc2cccc(C(F)(F)F)c2)n1 225828454 QTEPPAKEDUMOKJ-UHFFFAOYSA-N 392.406 4.550 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N(C)CC2CC2)[C@@H]1c1cccs1 257173371 LMIAJHBXYYXDAL-RTWAWAEBSA-N 396.556 4.553 0 40 GJAB CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 257173715 VOGZOQZBHKOREB-BEVDRBHNSA-N 384.545 4.600 0 40 GJAB Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)n1 257216240 CTRBTGYPYPJVOQ-UFYCRDLUSA-N 390.531 4.593 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)cc2C)n1 408699997 YESHIXDABYRUEN-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1CCc1ccccc1 409007814 SAIUJKKYQNGGRF-GDNBJRDFSA-N 394.279 4.978 0 40 GJAB Fc1ccc([C@H]2C[C@H]2c2nc(-c3ccc(OC4CCOCC4)cc3)no2)cc1 538313303 KFESUESIAIVKNJ-WOJBJXKFSA-N 380.419 4.705 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 547135471 ZEODZSHXZVMBTB-BWPNAZKDSA-N 397.519 4.568 0 40 GJAB CC[C@H]1CN(Cc2nc3cc(C(=O)O)ccc3n2CC)CC[C@@H]1c1ccccc1 571768811 OLPZHBFBHGKOHO-PXNSSMCTSA-N 391.515 4.770 0 40 GJAB COC1(C(=O)Nc2ccc3cccc(Br)c3n2)CCC(F)(F)CC1 612279179 KHJUVGYCRYVJSU-UHFFFAOYSA-N 399.235 4.530 0 40 GJAB Cc1ccccc1[C@H](C)N(CC(C)C)S(=O)(=O)c1ccc(C)c(N(C)C)c1 1661943562 STPRMURVQPPYKM-IBGZPJMESA-N 388.577 4.777 0 40 GJAB CCSc1nnc2c(n1)O[C@H](c1ccsc1)N(C(=O)CC)c1ccccc1-2 684701 VFVFLTGGLVCBEU-GOSISDBHSA-N 398.513 4.546 0 40 GJAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2)c1 703973 LOTXFQGEBKGMDF-QFIPXVFZSA-N 397.430 4.547 0 40 GJAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(Br)cc2)C1=O 1787875 CILYJIVNFZLDOT-GDNBJRDFSA-N 390.258 4.699 0 40 GJAB Cc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)cc1 2258087 JLEVPGWAQZDJQC-UHFFFAOYSA-N 394.434 4.732 0 40 GJAB Cn1nc(C(F)(F)F)c(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl 2557799 KGFLWSSUVPLRIS-VOTSOKGWSA-N 397.706 4.763 0 40 GJAB COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2Cc1ccccc1 2689894 QDDCUTYOZQAEKH-UHFFFAOYSA-N 383.447 4.598 0 40 GJAB Cc1nn(C)c(C)c1CN(C)C(=O)c1sc2cccc(Cl)c2c1Cl 2769816 PEQOMWAJJTZDBW-UHFFFAOYSA-N 382.316 4.831 0 40 GJAB O=C(CN1CCCCCCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 3341665 LOLBUAITTXAZHR-UHFFFAOYSA-N 384.907 4.776 0 40 GJAB COc1ccc(-c2nnc(SCCOc3ccc(F)cc3)n2C(C)C)cc1 3361437 FNXRGVNLHNEDDL-UHFFFAOYSA-N 387.480 4.845 0 40 GJAB COCCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)nc2ccccc21 3448057 KXCNGXBJDVGGFE-HNNXBMFYSA-N 393.512 4.836 0 40 GJAB COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)c2ccccc2C)cc1 4169118 UHFOIQCGOWYXQF-UHFFFAOYSA-N 399.446 4.957 0 40 GJAB Cc1ccc(NC(=O)c2ccccc2NC(=O)COc2cc(C)cc(C)c2)cc1 4576122 HSOHAOFOBLXCPE-UHFFFAOYSA-N 388.467 4.882 0 40 GJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(C2CC2)on1 4881232 IFTYJYMHYPYTPN-UHFFFAOYSA-N 382.441 4.710 0 40 GJAB CC(C)Cc1nc2sc3c(SCCN(C)C)ncnc3c2c2c1CCC2 5205238 BRINAHICTVZLPP-UHFFFAOYSA-N 386.590 4.580 0 40 GJAB CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1 5485234 LSVKKAVBCMXEEP-KRWDZBQOSA-N 399.487 4.838 0 40 GJAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)n1C 5847503 DZGSLGGYROZFOZ-UHFFFAOYSA-N 385.464 4.515 0 40 GJAB Cc1cc(Br)c(-c2nc3ccccc3o2)c(Br)c1N 6275716 LWUMPAOFNFVNCL-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB Cc1ccccc1COc1ccc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 6678686 HNEYYCUGRIDJQP-QRWLVFNGSA-N 393.512 4.769 0 40 GJAB CCn1c(SCc2nc3ccccc3s2)nnc1-c1ccccc1OC 6790443 ZZIOOKFGSKVWFD-UHFFFAOYSA-N 382.514 4.876 0 40 GJAB O=C1N/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)N1c1ccc(Cl)cc1 6970581 GHVQYBSALBLGHB-XDHOZWIPSA-N 399.853 4.567 0 40 GJAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccccc1F 7160708 ULPUCSRITIUEFQ-SNVBAGLBSA-N 395.381 4.907 0 40 GJAB Cc1ccc2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc2c1C 7424802 OZIUPSGGHQSNNZ-UHFFFAOYSA-N 396.541 4.908 0 40 GJAB CCOc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1cccs1 7523801 LFKPLHFUECUGTL-UHFFFAOYSA-N 397.496 4.714 0 40 GJAB CC[C@@H](C)n1c(S[C@@H](C)C(=O)Nc2cccc(F)c2)nc2ccccc2c1=O 7621052 URUKJQVVVLHUSI-KGLIPLIRSA-N 399.491 4.626 0 40 GJAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)c1nc2ccccc2c(=O)[nH]1 9544914 GEIBTVPCRGHGAS-SNVBAGLBSA-N 399.476 4.511 0 40 GJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 9665529 NKBJKOHGWQGDME-UHFFFAOYSA-N 394.544 4.627 0 40 GJAB O=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccc(C(F)(F)F)cc1 10275087 OAMYDEDLMWUPNP-UHFFFAOYSA-N 392.352 4.749 0 40 GJAB O=C(OCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(Cl)cc1 10574463 SQBRWASRSCOBQI-UHFFFAOYSA-N 382.725 4.766 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)c2oc3ccccc3c2C)cc1 11913980 YJBHEBAKKBPZPQ-UHFFFAOYSA-N 377.400 4.832 0 40 GJAB COc1ccc(N(Cc2cccs2)C(=O)COc2c(C)cccc2C)cc1 11916544 GJXGGENDTSZWGR-UHFFFAOYSA-N 381.497 4.986 0 40 GJAB COc1cc2cc(C3CCN(C(=O)c4cc(F)ccc4F)CC3)ncc2cc1C 12188098 CTAANMOYZLYVLK-UHFFFAOYSA-N 396.437 4.850 0 40 GJAB COc1cccc(C(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)c1 12225653 BAZTXEUQMLEBCG-UHFFFAOYSA-N 392.459 4.577 0 40 GJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(SC(F)F)cc3)ccc2o1 12527841 FPTXXMRWZITBNR-SNVBAGLBSA-N 377.416 4.890 0 40 GJAB CC(=O)C(Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)C(C)=O 12603650 PSULOMVJPBTKQE-UHFFFAOYSA-N 399.497 4.713 0 40 GJAB COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3cc(C)ccc3C)ccc2c1 12773057 REJRNNQVOKPXOR-GOSISDBHSA-N 376.500 4.924 0 40 GJAB CC(=O)Nc1ccc(CC(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)cc1 12773284 BSSCMCQCVIVPJL-HSZRJFAPSA-N 380.532 4.999 0 40 GJAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2c(F)cccc2Cl)no1 12850356 SSEGSIQAUKEWRQ-LJQANCHMSA-N 387.842 4.587 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 13547322 CVNYHSDFZXHMMJ-LKOOOEITSA-N 390.564 4.686 0 40 GJAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1 13710360 FXZHFHYGICEQDV-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 13994879 DRUVELACNLAMGU-OAQYLSRUSA-N 394.515 4.854 0 40 GJAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1coc(-c2ccccc2)n1 14138721 MHOYFHIWBBSRFJ-UHFFFAOYSA-N 390.270 4.719 0 40 GJAB CC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)c1 14250453 OFOMONJGQXPEFR-UHFFFAOYSA-N 385.876 4.598 0 40 GJAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)S2 16663216 VJPKPCDVZRSSQW-UHFFFAOYSA-N 389.885 4.848 0 40 GJAB Fc1ccc(-n2cc(CN(CCc3ccccc3)Cc3ccncc3)cn2)cc1 19371161 NCSDZTZMKLOHNA-UHFFFAOYSA-N 386.474 4.651 0 40 GJAB O=C(NCCSCc1ccco1)c1ccc(CN2CCc3ccccc32)cc1 20105664 XMAWZINCWNFEIR-UHFFFAOYSA-N 392.524 4.506 0 40 GJAB CCc1n[nH]c(SCc2ccc(NC(=O)c3cccc(OC(C)C)c3)cc2)n1 20611458 DFWGWTCGSUEEJT-UHFFFAOYSA-N 396.516 4.699 0 40 GJAB COc1ccc(CN(C(=O)c2sc(-c3ccccc3)nc2C)C2CC2)cc1 21936590 WULCDGNJKHHRKN-UHFFFAOYSA-N 378.497 4.932 0 40 GJAB COCCC(=O)Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1 28221551 WANDCOGAWOUVIC-UHFFFAOYSA-N 392.242 4.685 0 40 GJAB O=C(CSCc1ccc(Cl)s1)N[C@@H](c1ccccc1)c1ccccn1 29713587 IBNWWBWOPUUGQW-IBGZPJMESA-N 388.945 4.936 0 40 GJAB C[C@H]1c2cccn2CCN1C(=O)CSC(c1ccccc1)c1ccccc1 30796457 AJEKHCWAJKROPJ-SFHVURJKSA-N 376.525 4.914 0 40 GJAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(C(F)(F)F)cc1 30882612 QEBMZQOFOKOJHS-LNLFQRSKSA-N 383.454 4.559 0 40 GJAB biogenic,in-vitro O=C(Oc1ccc(Cl)c2cccnc12)c1ccccc1OC[C@@H]1CCCO1 32492822 ORXPKZUYKZZWKL-AWEZNQCLSA-N 383.831 4.665 0 40 GJAB CCCCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)c2cccnc12 32623692 QKDAZEKLTWCWJB-UHFFFAOYSA-N 388.423 4.772 0 40 GJAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccc(Br)c2)cc1C 32796171 YOLVWDUFUFTUOQ-HNNXBMFYSA-N 388.305 4.906 0 40 GJAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(SCc2cccs2)s1 32823811 JQLMXDARQJHWIC-DGCLKSJQSA-N 399.632 4.679 0 40 GJAB Brc1cccc(CSc2nnc(NCc3ccco3)s2)c1 32860306 ZYQVXYGJDVHKCH-UHFFFAOYSA-N 382.308 4.798 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 35684662 KMMYMKJFWDUYKI-INIZCTEOSA-N 384.798 4.514 0 40 GJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccccc2N2CCCCC2)c1 57849599 NHUUSSBOZKHLER-MRXNPFEDSA-N 380.492 4.518 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(CNc3cc(C)ccc3C)C2=O)cc1 59419036 ORLGBWHEITXJKR-XDHOZWIPSA-N 382.485 4.808 0 40 GJAB Brc1ccc(-c2csc(Cc3nc(-c4cccnc4)no3)n2)cc1 67246079 CBVMORZDWFQWKV-UHFFFAOYSA-N 399.273 4.608 0 40 GJAB CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)cc1 67295576 GGOGRGCYGQTEHY-GYHWCHFESA-N 390.464 4.910 0 40 GJAB Cc1ccc2nc(C)cc(C(=O)N[C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)c2c1 89657505 GCQANJQBPGDOKZ-VXKWHMMOSA-N 378.447 4.641 0 40 GJAB C[C@H](c1ccccc1)[C@@](C)(O)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 95963498 MKRHXCJVRQQFHY-SPLOXXLWSA-N 385.847 4.593 0 40 GJAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3cccc(C)c3F)n2)cc1 95965972 LPOKTBQGCCJKMG-CYBMUJFWSA-N 397.475 4.707 0 40 GJAB O=C1O[C@@H](CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)CN1c1ccccc1 97002809 AVMRGZGIBIDZSR-SIKLNZKXSA-N 375.472 4.720 0 40 GJAB O=C(CCSc1ccccc1)NCc1ccc([C@@H](O)c2ccccc2)s1 207970044 WDLRQVJYXNAFFG-NRFANRHFSA-N 383.538 4.628 0 40 GJAB COC(=O)CC1CCC(c2ccc(C(=O)C(C)(C)Br)cc2)CC1 212419381 YFEFRJBFGLDXBE-UHFFFAOYSA-N 381.310 4.880 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)c(Br)c1 218872272 JPUBLHDAHZNDPR-UHFFFAOYSA-N 384.220 4.868 0 40 GJAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219326648 CEZXEPPEEVIWTB-OAQYLSRUSA-N 377.415 4.853 0 40 GJAB CCC1(CC)C[C@H](NC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc2O1 222748362 OYWLUABWGGSHHQ-KSEUIEODSA-N 379.456 4.627 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 222974246 OAWDGOBUENNMHS-RTWAWAEBSA-N 376.529 4.645 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 224837234 FCYRRCPHDBQUHF-DEOSSOPVSA-N 394.559 4.763 0 40 GJAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c(Cl)c1 224996483 IWKNOJKYPRPIJL-UHFFFAOYSA-N 392.886 4.873 0 40 GJAB COc1ccc(-c2nnc(NC(=O)COc3ccccc3C(C)(C)C)s2)cc1 225210545 SZUFSKYGRFSQLS-UHFFFAOYSA-N 397.500 4.529 0 40 GJAB S=C(Nc1ccc(Br)cc1)NC1(c2ccccn2)CCCC1 225846220 WGVNIPMOPXHXOR-UHFFFAOYSA-N 376.323 4.600 0 40 GJAB Cc1nn(-c2ccccc2)c2nc(Cl)c(CNCCc3ccc(F)cc3)cc12 257281045 ONKGVJSZHZBSGJ-UHFFFAOYSA-N 394.881 4.854 0 40 GJAB COc1ccccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257314155 UVODWEHIJCNANG-LJQANCHMSA-N 396.874 4.905 0 40 GJAB Cc1cc([C@H]2CCCCN2Cc2nccn2C(C)C)nc(-c2c(C)noc2C)n1 257326487 WXJOYZJDWDMIPG-LJQANCHMSA-N 394.523 4.561 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)cc2)cc1 408696130 WNSHMIZNHOBGGQ-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)c2ocnc2C(F)F)c1 626428944 XJHUPOHALVKIAK-MJGOQNOKSA-N 398.409 4.992 0 40 GJAB CC(=O)N1CCCCCCCN(C(=O)C2[C@@H]3CCCC[C@@H]23)Cc2ccccc21 643553329 LZXIZPHHDAUBPH-NHCUHLMSSA-N 382.548 4.768 0 40 GJAB CC(C)(C)OC(=O)N(CCOc1ccc(Cl)cc1C(=O)O)c1ccccc1 2037873677 ZQKOHHSRPMNYCX-UHFFFAOYSA-N 391.851 4.859 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1I 834156 HCRLEJMGRDCVBE-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901080 CUHNRKKWXFFOAW-VXGBXAGGSA-N 383.439 4.558 0 40 GJAB COc1cccc(C(=O)COc2cccc(NC(=O)c3ccc(C)cc3)c2)c1 993026 JXRNHCYWTIYUJA-UHFFFAOYSA-N 375.424 4.518 0 40 GJAB Cc1cccc(C)c1NC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 1351731 KDDADAIFYFKOGS-UHFFFAOYSA-N 397.478 4.800 0 40 GJAB CCc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccccc34)cc2oc1=O 2093497 YPMPHMBJOIAPTG-UHFFFAOYSA-N 389.451 4.726 0 40 GJAB biogenic COc1ccc2c(c1OC)C(=O)N1c3ccccc3N=C(c3ccccc3)C[C@@H]21 4023657 VBGGBOHBVMRPPY-FQEVSTJZSA-N 384.435 4.930 0 40 GJAB biogenic Cc1ccc(-n2ncc3c(NCCc4c[nH]c5ccccc45)ncnc32)c(C)c1 4659342 LFCQVOYKUIJFGR-UHFFFAOYSA-N 382.471 4.568 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(Cl)c(C(F)(F)F)c1 4694707 RKMHUHNGNXSWMW-OAHLLOKOSA-N 387.741 4.657 0 40 GJAB COc1cccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)c1 4715794 BHLDUPXQVPUYBV-AUSIDOKSSA-N 390.439 4.848 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 4816611 VHHFHYVYKYGQFC-OALUTQOASA-N 398.869 4.794 0 40 GJAB Clc1ccc(-c2nsc3c(N4CCc5ccccc5C4)ncnc23)cc1 4895006 OJFFVQADCFGQTR-UHFFFAOYSA-N 378.888 4.969 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2ccc(OC)cc2)cc1OC 5559908 YXIHLQVJDALMCO-UHFFFAOYSA-N 394.265 4.507 0 40 GJAB COc1ccccc1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 5676413 FNMNCPGXGCJMGA-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CCCC[C@@H]12 5931070 ZHLGTXFDXWAOFS-IFMALSPDSA-N 379.891 4.664 0 40 GJAB O=C(COC(=O)/C=C/c1ccccc1Cl)Nc1c(Cl)cccc1Cl 6790571 RGCUFKLSGRLBON-CMDGGOBGSA-N 384.646 4.842 0 40 GJAB Cc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3ccccn23)cc1 7049467 UTKHFPYVGUOGGQ-UHFFFAOYSA-N 398.495 4.578 0 40 GJAB O=S(=O)(CCSc1ccc(Cl)cc1)c1ccc(Br)cc1 7787693 DPMMNVHUDAZMMW-UHFFFAOYSA-N 391.739 4.669 0 40 GJAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c1OC 7884699 BHCKFLHDNLETJU-QHCPKHFHSA-N 388.467 4.513 0 40 GJAB CN(C)Cc1ccc(CNCc2ccc(-c3nc4ccccc4s3)o2)cc1 8039081 CFESSNLSNOVYIM-UHFFFAOYSA-N 377.513 4.908 0 40 GJAB O=C(CCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cccs1 8086313 COEHMSAEZUCDTO-UHFFFAOYSA-N 384.526 4.727 0 40 GJAB COc1ccccc1[C@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)N(C)C 8088755 TXJMKRLJJPPEPC-QFIPXVFZSA-N 390.483 4.520 0 40 GJAB CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1OC 8230388 UVEQVKWZXXXWEJ-UHFFFAOYSA-N 394.475 4.549 0 40 GJAB CCOCCCNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 8253150 FWDDLEOSRSSBMI-UHFFFAOYSA-N 381.875 4.583 0 40 GJAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 8323932 ZVGURUXJSPHWTJ-OAHLLOKOSA-N 393.516 4.575 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1 8345485 QHTBQIKJOBBEOI-UHFFFAOYSA-N 388.467 4.800 0 40 GJAB CC(=O)c1ccc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 8388773 IESKSZZRHZJYHP-CYFREDJKSA-N 387.479 4.871 0 40 GJAB Cc1ccc(-c2noc(CSc3nnc(C4CC4)n3-c3ccccc3)n2)cc1 8428363 QKKKZIJLEKTXPR-UHFFFAOYSA-N 389.484 4.795 0 40 GJAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(Cl)cc2)c1 8476800 ORQMXRJLSIKDHU-UHFFFAOYSA-N 394.906 4.959 0 40 GJAB C[C@@H](O)c1ccc(-c2ccc(CNn3c(-c4ccccc4)n[nH]c3=S)o2)cc1 8535230 CJEMIJRLURZIDU-CQSZACIVSA-N 392.484 4.665 0 40 GJAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1Nc1ccc(F)cc1 8728568 RORAVIFORYFRKE-UHFFFAOYSA-N 391.446 4.658 0 40 GJAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccc(C)cc3)sc2c1 8903270 ZLESNMWQLRMNHC-UHFFFAOYSA-N 398.484 4.579 0 40 GJAB Cc1cccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1 8959106 FMBSEQCCSREFDJ-UHFFFAOYSA-N 380.488 4.655 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)cc1 9194326 FUPFSZCAFJGNNN-UHFFFAOYSA-N 393.439 4.565 0 40 GJAB CCOc1ccc(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 9544943 AJKOBAXOODQBLW-UHFFFAOYSA-N 385.485 4.858 0 40 GJAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 10314782 KYNGUBRZEBHTLE-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)cn1 12186588 MVVKRLGPOMIPHN-OAQYLSRUSA-N 380.492 4.684 0 40 GJAB C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)Nc1ccccc1F 12604120 ZWVLTDUBJJXXGB-LBPRGKRZSA-N 375.856 4.784 0 40 GJAB CCOc1ccccc1-c1nc(CC(=O)NCc2ccc(Cl)cc2)cs1 12617656 DRLUOKOOSNKCKH-UHFFFAOYSA-N 386.904 4.721 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccccc1Br 12767731 MPANHYYOTPUHPX-UHFFFAOYSA-N 392.293 4.773 0 40 GJAB Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc3c(c1)OCO3)CC(O)=N2 13550793 VDSBLSFTRLNIAM-ZDUSSCGKSA-N 381.819 4.686 0 40 GJAB CCCCn1c(SCc2nc(-c3ccccc3)no2)nc2ccsc2c1=O 16843269 YWHBSDGZFSCSOG-UHFFFAOYSA-N 398.513 4.600 0 40 GJAB CSc1nc(SCc2ccc(F)cc2)c2c3c(sc2n1)CN(C)CC3 20357493 DWJUNUYSJJTLNP-UHFFFAOYSA-N 391.562 4.833 0 40 GJAB COc1cccc(CNCCc2ccccc2F)c1OCc1ccccc1F 22074457 DTBFUWUZGCLHQV-UHFFFAOYSA-N 383.438 4.885 0 40 GJAB CCn1cc(C(=O)N[C@H](C)c2ccc(SC)cc2)c(=O)c2cc(C)ccc21 22234800 DQECIEPGBDKNMX-OAHLLOKOSA-N 380.513 4.543 0 40 GJAB CCCCc1ccc(NC(=O)c2cn(CC)c3ccc(OC)cc3c2=O)cc1 22235964 MFPFAVCNXNQYKN-UHFFFAOYSA-N 378.472 4.625 0 40 GJAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)C1CCCCC1 24992780 ZEFRPTBRDQZSAB-UHFFFAOYSA-N 396.491 4.710 0 40 GJAB COc1ccccc1Oc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1 27795912 AREMNDDIKOKPOH-UHFFFAOYSA-N 387.226 4.923 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCCc2csc(-c3ccccc3)n2)c1 28288490 KTJAJNIZOJQLAU-UHFFFAOYSA-N 394.540 4.980 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2cccs2)c1[C@@H]1C(=O)Nc2c(Cl)cccc21 32095174 WDZKLTQKJZTORR-CQSZACIVSA-N 386.860 4.576 0 40 GJAB COc1ccc(COC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)cc1F 32910232 FPPNWYXLOUYPRU-AWEZNQCLSA-N 379.431 4.864 0 40 GJAB Cc1ccc(C)c(CSc2nc(O)c3c(n2)CCN(Cc2ccccc2)C3)c1 33287234 QVPIUCYXYQAQNV-UHFFFAOYSA-N 391.540 4.650 0 40 GJAB CCOc1ccccc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 39748192 COMPOFYUQQZWST-UHFFFAOYSA-N 390.886 4.729 0 40 GJAB O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C[C@@H](O)c1ccc(Cl)cc1 40050619 FMHGBAMKDQRBRR-HXUWFJFHSA-N 394.833 4.590 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(CCC)s3)no2)cc1 46086141 DFYAFQDLKUXYQP-UHFFFAOYSA-N 386.477 4.577 0 40 GJAB O=C(Nc1cccnc1N1CCCC1)N[C@@H](c1ccccc1)c1cccs1 48172269 BWQQOEPZSDMKEN-IBGZPJMESA-N 378.501 4.654 0 40 GJAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2nc3c(s2)CCC3)cs1 48346192 MOVTVDXCZYJRRA-MDZDMXLPSA-N 397.525 4.628 0 40 GJAB CCC[C@@H](NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 57289806 ZIRXKQMDGZRQLN-OAQYLSRUSA-N 376.504 4.559 0 40 GJAB Cc1ccc(-n2nc(-c3nc(-c4ccccc4)no3)c3ccccc3c2=O)cc1C 64950013 KYUROVBUAGQPEY-UHFFFAOYSA-N 394.434 4.720 0 40 GJAB Cc1csc(-c2ccc(C(=O)Nc3ccc(-n4ccnc4)c(F)c3)cc2)n1 65492562 NKNKSBYKOCFBJG-UHFFFAOYSA-N 378.432 4.696 0 40 GJAB COc1cc(-c2nnc(C3(c4ccccc4)CCOCC3)o2)ccc1OC(C)C 71889725 QEYDTYHMGPVYRJ-UHFFFAOYSA-N 394.471 4.629 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349852 XPXFMUQIEGQEKQ-KRWDZBQOSA-N 395.503 4.596 0 40 GJAB CCc1ccc(-c2csc(N3C(=O)[C@H]4[C@@H]5CC[C@H](C5=C(C)C)[C@H]4C3=O)n2)cc1 100971001 TWJGMHCAJOYFQT-SMOSDQRPSA-N 392.524 4.854 0 40 GJAB O=C(CCc1cccc2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 222666692 HZLYADLLWSXIGO-UHFFFAOYSA-N 378.903 4.775 0 40 GJAB CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 223258481 KPKKBDSWYKGKLG-UHFFFAOYSA-N 398.978 4.993 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCCC1 224875149 RBJQHHQYGFJKBP-ZDUSSCGKSA-N 385.335 4.569 0 40 GJAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(F)cc1 224876223 KJDZPJQNBRUZSD-UHFFFAOYSA-N 389.224 4.815 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C 225166908 HYOKEBNWEFSTBC-OAHLLOKOSA-N 384.501 4.667 0 40 GJAB COc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)c2cccnc12 225545908 LVFHRPVFVPJVLQ-UHFFFAOYSA-N 385.920 4.816 0 40 GJAB COc1cc(C)c(C(=O)NCc2ccccc2-n2ccnc2C)cc1C(C)C 225662767 AANUKTKPWMLTTG-UHFFFAOYSA-N 377.488 4.551 0 40 GJAB COc1cc(C)c(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1C(C)C 225662850 JHHCXYXIWCBZDP-UHFFFAOYSA-N 377.488 4.551 0 40 GJAB CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(Cc4cscn4)CC3)C[C@@H]21 257270775 MVPXBKYZQKAQIT-AZUAARDMSA-N 384.545 4.674 0 40 GJAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)NCc2ccccc2)n1 408546020 CKPAOVBLDPURBE-UHFFFAOYSA-N 383.904 4.514 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 408653993 FWFSTQFFGOUEEI-GHTZIAJQSA-N 385.463 4.869 0 40 GJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(Br)s3)S2)cc1 408772259 NHAFBDSCVSHUNY-RCBBPTIPSA-N 395.347 4.673 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 620611965 ZLDOVJAAAIYJCA-MRXNPFEDSA-N 395.890 4.560 0 40 GJAB CC(C)N(Cc1ccc2c[nH]nc2c1)Cc1nnc(-c2ccccc2Cl)o1 660162588 ZWQZTOPVPUGDJX-UHFFFAOYSA-N 381.867 4.677 0 40 GJAB Cc1sc(CNC(=O)c2onc3c2CCCC3)nc1-c1ccc(Cl)cc1 1597485993 QQSZKNFIXJALPA-UHFFFAOYSA-N 387.892 4.569 0 40 GJAB CN(C)c1ccc([P@](=O)(OCc2ccccc2)[C@@H](O)c2ccccc2F)cc1 724040 LODQNKQWPYWQSD-DFHRPNOPSA-N 399.402 4.703 0 40 GJAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 1347004 RBHOOOHFESKDPQ-FQEVSTJZSA-N 379.504 4.928 0 40 GJAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1 1518087 VCNNFSATXPWPMX-OAQYLSRUSA-N 393.874 4.903 0 40 GJAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 2658422 JQXFNELVDDJVHG-ZDUSSCGKSA-N 397.525 4.888 0 40 GJAB CC(C)Cn1c(SCC(=O)Nc2c(F)cccc2F)nc2ccccc21 4264909 WTRNKLNTNJROOQ-UHFFFAOYSA-N 375.444 4.701 0 40 GJAB COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)c1 4322988 LHOFBLOMOGYLJM-UHFFFAOYSA-N 395.850 4.538 0 40 GJAB Cc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccccc2C)c1 4518181 YXSJIWNXQLXTFP-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB Cc1ccccc1S(=O)(=O)Oc1ccc2c(Br)cccc2c1 4666451 KJRQISBHHIOUAY-UHFFFAOYSA-N 377.259 4.678 0 40 GJAB CCC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 4816607 VMMMUFRJDBQJJE-ROUUACIJSA-N 384.842 4.548 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1 4902555 BOGUQGRPLOQFRM-UHFFFAOYSA-N 375.453 4.929 0 40 GJAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1cccc(Cl)c1 4966433 JUAHDTYCWJOSDY-UHFFFAOYSA-N 385.920 4.768 0 40 GJAB COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(C)s2)c2ccccc2)c1 5110727 ATTWPHBSNZFPOW-LJQANCHMSA-N 381.453 4.602 0 40 GJAB CCC(=O)NC(=S)Nc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 6386266 MLBDMIBXLLAWDT-VGOFMYFVSA-N 395.528 4.685 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc3nc(C)sc3c2)no1 7191850 VPWQNCHBZSZGGA-UHFFFAOYSA-N 396.497 4.841 0 40 GJAB O=C(COc1cc(Cl)c(Cl)cc1Cl)N[C@H]1CCOc2ccccc21 7215384 LSKAMOAXIXHCGK-AWEZNQCLSA-N 386.662 4.666 0 40 GJAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 7721209 QAWVRDUZZGDIJO-UHFFFAOYSA-N 383.451 4.984 0 40 GJAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c1OC 7884772 ODZNQQSJRFODRO-NRFANRHFSA-N 378.403 4.614 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)CCSc2ccc(F)c(F)c2)cc1 7922366 UKOVRMGZLNDYMX-UHFFFAOYSA-N 392.471 4.568 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1ccc(OCc2cscn2)cc1 8007194 APRNFMITDNKWNJ-UHFFFAOYSA-N 389.274 4.737 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 8157232 YRNJFKKPPWEEHE-UHFFFAOYSA-N 388.467 4.800 0 40 GJAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NC3CC3)o2)cc1 8844598 ZUECSKIHVURFSJ-UHFFFAOYSA-N 388.876 4.711 0 40 GJAB CCN1C(=O)c2cccc3c(NC(=O)c4cc5cccc(OC)c5o4)ccc1c23 8960403 AZSWQFCOAZNAKZ-UHFFFAOYSA-N 386.407 4.827 0 40 GJAB CCN(CC)CCn1cnc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=N 9054227 RYUDCYHPUVKWIR-UHFFFAOYSA-N 386.499 4.785 0 40 GJAB O=C(NCCCn1ccc2ccccc21)c1ccccc1C(=O)c1cccs1 9339145 UPDKQHOLLVGUCH-UHFFFAOYSA-N 388.492 4.754 0 40 GJAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 10551262 RVAXEMVCPKDRKE-UHFFFAOYSA-N 377.469 4.510 0 40 GJAB CSc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 12039450 AYFUAVSNFVGOGP-UHFFFAOYSA-N 384.530 4.667 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 12550204 UYECJRMYRWSZLF-INIZCTEOSA-N 393.249 4.777 0 40 GJAB Cc1cc(C)c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c(Cl)c1 12774040 AVHMGBKTAVHQNZ-CMDGGOBGSA-N 396.918 4.847 0 40 GJAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)c3ccc(F)cc3)c12 12900989 ZNXTVEXHJVHXIX-ZDUSSCGKSA-N 375.403 4.828 0 40 GJAB Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 13633267 ANYDFMFYKWMFBM-SFHVURJKSA-N 388.467 4.962 0 40 GJAB CCc1ccc(NC(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)cc1 14077529 PTPKXUPEICOWBN-OAHLLOKOSA-N 392.528 4.826 0 40 GJAB Cc1ccc(N2CC(=O)N(c3cc(C)ccc3C)[C@H](c3ccccc3)C2=O)cc1 15413170 UDOSELOFHWIPGH-XMMPIXPASA-N 384.479 4.733 0 40 GJAB Cc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCC(C)CC2)o1 15860308 CLVNNNNQCSYCIZ-NRFANRHFSA-N 384.520 4.578 0 40 GJAB O=C(CCC(=O)c1cccs1)NCc1ccc(Oc2ccc(F)cc2)cc1 16180510 HRQSSPMRWNESNX-UHFFFAOYSA-N 383.444 4.959 0 40 GJAB CCCCn1nc(NC(=O)COc2ccccc2)c2cc3ccc(C)cc3nc21 17251743 RVNZCQVGYQQEIQ-UHFFFAOYSA-N 388.471 4.711 0 40 GJAB Cc1ccnc(-n2cccc2CN(Cc2cccnc2)Cc2ccccc2F)c1 19238218 CNFDXYYPFZGTAJ-UHFFFAOYSA-N 386.474 4.917 0 40 GJAB O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1N1CCCCCC1 20381045 LAGYOWGZBQCNOG-UHFFFAOYSA-N 384.476 4.587 0 40 GJAB CCOc1ccc(-c2cc(C(=O)Oc3ccccc3Br)no2)cc1 21786644 WUWVYVMOMPLVSE-UHFFFAOYSA-N 388.217 4.722 0 40 GJAB COc1ccc(-c2cc(NC(=O)COc3ccccc3)n(-c3ccccc3)n2)cc1 21944906 MVRUILZLUQAYSN-UHFFFAOYSA-N 399.450 4.565 0 40 GJAB COc1ccccc1CC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 22527221 OSDQUZIPRBNRQD-MSQOXCFKSA-N 383.491 4.651 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1SC(F)F 28337183 XTCABPKAKATFSO-UHFFFAOYSA-N 387.455 4.985 0 40 GJAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(C)c(C(F)(F)F)c2)no1 32882480 RJLWJCREUTYWGN-UHFFFAOYSA-N 391.349 4.537 0 40 GJAB COc1ccc(CN(C)C(=O)c2sccc2-c2ccccc2)c(OC)c1OC 32999658 DDFDJXCPXCCTJZ-UHFFFAOYSA-N 397.496 4.713 0 40 GJAB Cc1nccc(-c2cccc(NC(=O)c3cc(C)n(CC(F)(F)F)c3C)c2)n1 33125530 RZFGDZUKOZVCFH-UHFFFAOYSA-N 388.393 4.685 0 40 GJAB CC(C)c1nc2cc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)ccc2o1 33217505 NVQGHUHJYOBKDI-AWEZNQCLSA-N 397.500 4.504 0 40 GJAB Fc1cc(F)cc(Cc2nnc3sc(-c4ccc(F)cc4Cl)nn23)c1 36559003 UPKWPFKUXPVHHD-UHFFFAOYSA-N 380.782 4.514 0 40 GJAB COc1cccc(-c2cc(C(=O)Nc3ccccc3C)c3c(C)nn(C)c3n2)c1 36616037 BESBINKIIGHXSW-UHFFFAOYSA-N 386.455 4.513 0 40 GJAB O=C(CCc1nc(-c2ccccc2)no1)N[C@H](c1ccc(F)cc1)C1CCCC1 40117469 VVSBKKUDHZBWOT-QFIPXVFZSA-N 393.462 4.856 0 40 GJAB CCCC[C@H](CC)CNC(=O)COc1ccc(Cl)cc1Br 40942323 ABFPQRBNWQYDQE-LBPRGKRZSA-N 376.722 4.814 0 40 GJAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)NC4CCCCC4)ccc32)cc1 46078507 WGWBQMXJETWXRB-UHFFFAOYSA-N 376.500 4.651 0 40 GJAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cccc(-n2cccc2)c1 46246249 VPJPUYWKUWFQSM-UHFFFAOYSA-N 396.372 4.934 0 40 GJAB COc1cccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)c1 49005462 NGZVLFGIWIVNFZ-UHFFFAOYSA-N 390.487 4.563 0 40 GJAB COc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2C)cc1OC(F)F 58139461 XBLAVRRLXGITMA-UHFFFAOYSA-N 384.382 4.919 0 40 GJAB Cc1cc(C)cc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)c1 64471756 QJXMFGYNRDMRJI-UHFFFAOYSA-N 377.513 4.784 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OCC)cc2)cc1 72328985 GLNIFNFQVFMPHZ-UHFFFAOYSA-N 393.487 4.584 0 40 GJAB Cc1ccc([C@H](C)C(=O)N2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 72347875 SUHYCVFGLSDSQT-HNNXBMFYSA-N 398.890 4.524 0 40 GJAB O=C(c1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72357804 LRJRXQVDLONQMX-NRFANRHFSA-N 377.875 4.698 0 40 GJAB FC(F)(F)c1cccc(-c2cncc(C3CCN(Cc4cccnc4)CC3)n2)c1 72359407 LTJHKYPHZGQFCW-UHFFFAOYSA-N 398.432 4.937 0 40 GJAB Cc1cc(-c2cncnc2)cc([C@@H]2CCCN2Cc2ccnc3ccccc23)n1 72372448 AVSYCSILNMRPAX-DEOSSOPVSA-N 381.483 4.732 0 40 GJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(COCc2ccc(F)cc2)CC1 77191505 QKCCEIKFENJITC-UHFFFAOYSA-N 395.396 4.914 0 40 GJAB Cc1ccc([C@H]2CCCCN2C(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1 78870293 DPPWKZBJUBJTSL-JOCHJYFZSA-N 390.531 4.649 0 40 GJAB CCc1oc2ccccc2c1CN1C[C@H]2CCC[C@H](C1)C2(O)c1ccccn1 100149063 DWZTVNRHGAYTQO-QZTJIDSGSA-N 376.500 4.510 0 40 GJAB Cc1cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)ccc1F 107146156 PRLSLMJCXSPJPU-UHFFFAOYSA-N 398.747 4.639 0 40 GJAB CC[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(OC)c(OC)c1 222802084 JWWKJUGEHYXWKG-GOSISDBHSA-N 385.504 4.648 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C(C)C 223706418 IYHIVQYYTASNPT-UHFFFAOYSA-N 387.423 4.947 0 40 GJAB CCc1cc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)ccc1OC 223750543 UXSLNXMDPLCDPM-UHFFFAOYSA-N 397.496 4.528 0 40 GJAB Cc1cc(C)cc(OCCNC(=O)CSCc2ccc(Cl)cc2F)c1 224110291 UKBKKVNKWXUTME-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 224342490 QTGGUTODRQMLNA-SFHVURJKSA-N 394.515 4.960 0 40 GJAB O=C(NCC1=CCCCC1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224537761 QLDMWEDLJVAHNQ-UHFFFAOYSA-N 381.347 4.822 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)c(C)c3)o2)c(OC)c1 224866665 DBLIMMQXRGBVJX-UHFFFAOYSA-N 380.444 4.547 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1C1CCCC1 225011723 SVGFASSHLCRONJ-LEWJYISDSA-N 380.561 4.913 0 40 GJAB CCOC(=O)/C=C/c1ccc(OC)c(OC(=O)c2cccc3ccccc23)c1 226364976 WEZQDIGTWCGSAJ-WYMLVPIESA-N 376.408 4.644 0 40 GJAB COC(=O)C[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253498528 FMACOWSJEUFNHK-IZEJHRMFSA-N 388.548 4.545 0 40 GJAB CC(=O)N[C@@H]1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)O[C@@H]2CCCC[C@@H]12 257315909 VDFPJWGPFRSDID-OLKYXYMISA-N 397.490 4.930 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(C)n3-c3cccnc3)N21 260788325 YVECDQRTJJDVTG-HBGVWJBISA-N 389.528 4.555 0 40 GJAB O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)[C@H]1Cc2ccc(F)cc21 684479353 UEIPXJGLDHPREW-ZWKOTPCHSA-N 396.462 4.922 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1cc(-c2ccccc2)on1 1775966759 XSUZKVQXJJWJOA-HNNXBMFYSA-N 396.493 4.595 0 40 GJAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC(=O)N1Cc1ccccc1Cl 1389866 BFJNCCJWDKWYPI-INIZCTEOSA-N 397.689 4.777 0 40 GJAB COc1cc2c(cc1NC(=O)COC(=O)c1cc(C)oc1C)oc1ccccc12 2639582 UEHZHXHTDALFNX-UHFFFAOYSA-N 393.395 4.600 0 40 GJAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccc(F)cc1F 3272489 CHXHHDLOBBYYDN-UHFFFAOYSA-N 379.447 4.616 0 40 GJAB Cc1ccc(C(O)(c2ccc(C)cc2)[C@]2(C)CC[C@H](C(=O)O)C(C)(C)O2)cc1 3845831 HHUXSSCDXMJTOO-OFNKIYASSA-N 382.500 4.588 0 40 GJAB biogenic CC(=O)O[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2C[C@@H](O)[C@](C)(C3SCCS3)C[C@H]12 4114358 GEFRKHXTFACOQE-QMFSJDNRSA-N 398.634 4.718 0 40 GJAB Cc1cc(C)c2nc(N(CCN(C)C)C(=O)c3ccc(Cl)s3)sc2c1 4359392 NTUJYCAFILTOIL-UHFFFAOYSA-N 393.965 4.836 0 40 GJAB C[C@@]12C[C@@H](NC(=O)N1c1ccc(Cl)cc1)c1cc(Br)ccc1O2 4877674 AZJHWRPXZRNHGE-RHSMWYFYSA-N 393.668 4.872 0 40 GJAB CC(C)c1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1 5304404 QZXMERKKPDMVAJ-UHFFFAOYSA-N 397.478 4.821 0 40 GJAB O=C1[C@H](c2ccccc2)N(c2ccc(Cl)cc2)C(=O)CN1c1ccccc1F 5451867 WSHGCWSCNOMYBT-NRFANRHFSA-N 394.833 4.600 0 40 GJAB COc1ccc(Br)c(C(=O)NC(c2ccccc2)c2ccccc2)c1 6289016 HOWVSTVUBNHYSM-UHFFFAOYSA-N 396.284 4.977 0 40 GJAB CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2ccccc2c1 6552117 UAEBFJYBJAOUMC-UHFFFAOYSA-N 380.296 4.967 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCCCc2nc(-c3ccccc3)no2)cc1 6584248 KHLYFJBAOLOYLJ-UHFFFAOYSA-N 391.500 4.659 0 40 GJAB Cc1cc2ccccc2n1CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 7850962 FIDIPKJJGCDCGV-UHFFFAOYSA-N 399.498 4.573 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 8302582 ANJZOHPNXJDTQE-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)c1 8395412 NBJGQPSBNMEZOT-UHFFFAOYSA-N 397.478 4.701 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CSc1nnc2ccc3ccccc3n12 8844362 QWYFUMBFOQMOAB-UHFFFAOYSA-N 382.876 4.575 0 40 GJAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21 9137466 FGWYWMPZXJAKBJ-UHFFFAOYSA-N 380.488 4.661 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 10287130 PJEOPQIITYMPLX-XCLFUZPHSA-N 388.895 4.869 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 10366736 WNXHAZUXCXBCKH-AOMKIAJQSA-N 398.503 4.614 0 40 GJAB CSc1ccc(Cl)c(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1 12537252 OGJXNKYFLPZQNV-UHFFFAOYSA-N 383.904 4.868 0 40 GJAB c1ccc(-c2nc3sccn3c2CNc2ccc(N3CCOCC3)cc2)cc1 12559797 IJZGDICCULUYQT-UHFFFAOYSA-N 390.512 4.512 0 40 GJAB COc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3Cl)cs2)c1OC 12821702 VJDQIARGOKEYQS-UHFFFAOYSA-N 392.839 4.872 0 40 GJAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CC[C@@H]2CCCC[C@@H]2C1 12896562 KESFVYMUBIQWRS-AZUAARDMSA-N 386.499 4.587 0 40 GJAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(C(C)(C)C)ccc2O)c1 12995126 BQQKZIHLAIJILV-UHFFFAOYSA-N 396.516 4.558 0 40 GJAB CC1CCN([C@H](CNC(=O)c2cc(Cl)ccc2F)c2cccs2)CC1 13008844 CSXAHNCNDUOHJF-QGZVFWFLSA-N 380.916 4.744 0 40 GJAB CCCc1noc([C@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)n1 13013460 PBMCRMFJEQMUPG-AWEZNQCLSA-N 395.488 4.775 0 40 GJAB O=C(c1ccccc1)[C@@H]1CNc2cc3c(cc2C1)C[C@@H](C(=O)c1ccccc1)CN3 13403082 DGVWJRRWWSIDQW-SZPZYZBQSA-N 396.490 4.621 0 40 GJAB biogenic O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(Br)cc1 13676835 DTMKEXBPBAFFKT-UHFFFAOYSA-N 395.105 4.698 0 40 GJAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1Cl 14814396 VZRIASWIXYDBSJ-UHFFFAOYSA-N 380.835 4.751 0 40 GJAB COc1ccc(-c2nc(CNC(=O)COc3ccc(C(C)C)cc3)cs2)cc1 15832750 PMXXPISUBCLADF-UHFFFAOYSA-N 396.512 4.637 0 40 GJAB COc1ccc(-c2cc(NC(=O)Cc3coc4cc(C)c(C)cc34)n(C)n2)cc1 19125491 CFRRCMMZFFAENU-UHFFFAOYSA-N 389.455 4.640 0 40 GJAB COc1cccc(Cn2cc(NC(=O)c3cc(C4CC4)nc4ccccc34)cn2)c1 19714707 NCUXVVGSWQCQMS-UHFFFAOYSA-N 398.466 4.618 0 40 GJAB COc1ccc2c(c1)OCC(CN(Cc1ccccc1)Cc1cccc(C)n1)=C2 19717455 QBKKXOKVIQPNPY-UHFFFAOYSA-N 386.495 4.877 0 40 GJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Cl)cc1C 20144301 KFWJBYQHWZVJSK-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)c(C)c1 30754514 LESGGSCPHIWZRL-ZDUSSCGKSA-N 396.712 4.976 0 40 GJAB O=C(COc1ccc2oc3ccccc3c2c1)Nc1cccc(Cn2ccnc2)c1 31779229 YQOGYDABSYHRLD-UHFFFAOYSA-N 397.434 4.848 0 40 GJAB CC(C)[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1 32744977 CWVIKDSIJGEROH-OAQYLSRUSA-N 397.494 4.583 0 40 GJAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc2c(c1)NC(=O)CCS2 32778198 TWOPSQXRMDSYED-UHFFFAOYSA-N 394.496 4.702 0 40 GJAB COc1cccc(NC(=O)[C@H](OC(=O)c2cc(C)ccc2C)c2ccccc2)c1 32797445 LKOUWSAMPBQPOR-JOCHJYFZSA-N 389.451 4.849 0 40 GJAB COc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC(F)F 32905193 RALLLIJHGOYNQY-UHFFFAOYSA-N 376.186 4.785 0 40 GJAB O=C(Cc1csc(NC(=O)c2ccsc2)n1)Nc1cccc2ccccc12 38739608 FWILBWPBGKSCDC-UHFFFAOYSA-N 393.493 4.791 0 40 GJAB C[C@@H]1Cc2ccc(-c3cc(COC(=O)c4ccc5ccccc5n4)no3)cc2O1 38769283 FEYGZUUUVVDLSJ-CQSZACIVSA-N 386.407 4.570 0 40 GJAB CCn1c2ccccc2c2cc(/C=C/C(=O)NCc3csc(C)n3)ccc21 58492891 REPVQTBHPMGQNP-PKNBQFBNSA-N 375.497 4.909 0 40 GJAB CC[C@@H](C)Nc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213573 NQDYRELIMKYKSL-XLIONFOSSA-N 387.549 4.516 0 40 GJAB O=C(c1cccnc1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349094 ATLAGYCKSCLMQZ-SFHVURJKSA-N 377.875 4.817 0 40 GJAB CC(C)(C)OC(=O)n1cc(I)c2ccc(Cl)cc21 80443409 RMNYTKCIIXURNG-UHFFFAOYSA-N 377.609 4.683 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc2)n1 84104812 HGMQAKIQNUHCNF-UHFFFAOYSA-N 389.286 4.690 0 40 GJAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(NC4CCOCC4)cc3)s2)o1 84195524 MMPAGUDWUSGXGD-UHFFFAOYSA-N 397.500 4.863 0 40 GJAB COc1ccc(N(C)c2ccc3ccc(C(=O)NCc4ccsc4)cn23)cc1 96146225 AONGFDUPYLGSRK-UHFFFAOYSA-N 391.496 4.707 0 40 GJAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1cnn(Cc2ccccc2Cl)c1 96931048 JFOHEQQVJCIRBW-GIJQJNRQSA-N 398.249 4.583 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@]23CC[C@](C)(c4nc5ccccc5nc42)C3(C)C)cc1 100623944 LJNDZDTVFGEIRP-JWQCQUIFSA-N 399.494 4.800 0 40 GJAB CC1=C[C@H](C)[C@]2(COC(=O)CN3CCCCC3)CO[C@@H](c3ccccc3)[C@@H]1[C@H]2C 100742491 HNJMMPWWHNRBHV-TYCVKICSSA-N 397.559 4.622 0 40 GJAB Cn1/c(=N/C(=O)c2nc3ccccc3s2)sc2ccc3ccccc3c21 100846750 ULKLEZPHGANOEP-XDOYNYLZSA-N 375.478 4.744 0 40 GJAB O=C(COc1ccc2ccccc2c1Br)NCC1CCCCC1 224257550 YUZUOUSJGIERIW-UHFFFAOYSA-N 376.294 4.678 0 40 GJAB CC(C)(C)c1ccccc1OCC(=O)NCc1ccccc1CN1CCCCC1 224849595 HOJZUEWNMMRLGX-UHFFFAOYSA-N 394.559 4.665 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 225194315 MQXNQUDBQMHMRF-XMMPIXPASA-N 395.543 4.871 0 40 GJAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225589209 FWFZIPTUKPGEFM-UHFFFAOYSA-N 388.914 4.740 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSc1ccc(C)cc1 225715508 IQCJPYMQNGIAFC-JOCHJYFZSA-N 383.557 4.940 0 40 GJAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225828971 LCLHXIUUULPWDA-UHFFFAOYSA-N 387.439 4.778 0 40 GJAB CCOCCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225861263 WNVBCQVKXGQXJX-UHFFFAOYSA-N 382.504 4.564 0 40 GJAB O=C(N[C@@H]1C[C@H](c2ccccc2N2CCCC2)O[C@@H]2CCC[C@@H]12)c1ccccc1 257237950 HIYLAFIWFNMGPB-IVGWJTKZSA-N 390.527 4.716 0 40 GJAB CCN(C(=O)CSc1nc(C)cc(-c2ccc(C)cc2)n1)c1ccccc1 408547135 RRFRNRPUWDXHPW-UHFFFAOYSA-N 377.513 4.906 0 40 GJAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)sc2c1 408628445 UAEIFMYIQVSCSA-UHFFFAOYSA-N 399.541 4.827 0 40 GJAB O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CCOc1ccc(F)cc1 409050934 DTGYEEJCHJRKMV-WJDWOHSUSA-N 377.824 4.594 0 40 GJAB COc1ccccc1NC(=O)C1CCN(Cc2csc(C(F)(F)F)c2)CC1 628145329 KLLGXUCYQHSXQN-UHFFFAOYSA-N 398.450 4.626 0 40 GJAB COc1cccc2c1CC[C@@H]2NC(=O)Cc1sc(C)nc1-c1cccs1 675367242 JXSJWFNOIUOLQB-HNNXBMFYSA-N 384.526 4.535 0 40 GJAB O=C(NCCc1ccc(-c2cccs2)s1)c1ccc(Br)o1 1889271556 GBCXWRHQAOLWKD-UHFFFAOYSA-N 382.304 4.805 0 40 GJAB COc1ccc2cc(C)c3nnc(SCC(=O)c4ccc(Cl)cc4)n3c2c1 928395 XAMXVPYCRSRDGL-UHFFFAOYSA-N 397.887 4.828 0 40 GJAB COC(=O)Cc1c(C)c2ccc(OCc3cccc4ccccc34)cc2oc1=O 2092250 GIUBLZDNGHSEDY-UHFFFAOYSA-N 388.419 4.549 0 40 GJAB biogenic Cc1ccc2c(C)nc(Nc3ncc4c(n3)C[C@@H](c3ccccc3)CC4=O)nc2c1 2395425 KYVDADXMOBTYJV-QGZVFWFLSA-N 395.466 4.693 0 40 GJAB O=C(NC1CCCCCC1)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 3043647 DXZGXZCSCJPFDB-UHFFFAOYSA-N 393.512 4.501 0 40 GJAB O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1Cc1ccco1 3052093 ZBNVQCKAGPHAHF-UHFFFAOYSA-N 384.407 4.608 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1 3258102 RUIDOYGOKYYPDV-UHFFFAOYSA-N 379.363 4.526 0 40 GJAB Cc1cccc(Oc2ccc(N[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2)c1 3476779 QDDXHYHRZIIYRV-MRXNPFEDSA-N 390.439 4.955 0 40 GJAB CC(C)CC(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 4091630 CYPWLASRCKGKMF-UHFFFAOYSA-N 385.514 4.528 0 40 GJAB CNC(=O)c1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc(C)c1C 4570430 DQGNKRROPXPCBA-UHFFFAOYSA-N 380.469 4.769 0 40 GJAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 4649500 HVFWPBWVUQITEF-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB O=C(CCC1CCCC1)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1F 5000946 COKBLJIPLASYPB-UHFFFAOYSA-N 396.462 4.660 0 40 GJAB Cc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1Cl 5485643 CZCKWGXKFFMFMB-UHFFFAOYSA-N 381.859 4.908 0 40 GJAB c1ccc2c(c1)OC1(CCCCC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@@H]21 5603194 WNSLONYGAURLOZ-IBGZPJMESA-N 376.456 4.662 0 40 GJAB COC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CC[C@@H](C)C2 6250500 PCCCROZCVCJVID-SNVBAGLBSA-N 393.892 4.574 0 40 GJAB CN(c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1cccs1 6602564 LFJQTAXKBOZRFL-UHFFFAOYSA-N 393.917 4.806 0 40 GJAB CCOc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCC 6964145 PUVJROVBNLKXHB-KDWIEBRMSA-N 376.522 4.573 0 40 GJAB CCc1nnc(S/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)O)o1 7364457 YTCDGUUEXDOYGM-BOPFTXTBSA-N 397.500 4.874 0 40 GJAB COc1cc(C(=O)O)cc(Br)c1OCc1cccc2ccccc12 7604037 WUDJGEIJBMBISS-UHFFFAOYSA-N 387.229 4.888 0 40 GJAB COC(=O)c1cc(NC(=O)/C(=C/c2ccco2)c2ccccc2)ccc1Cl 8092171 MESXHPJCNMARDZ-GHRIWEEISA-N 381.815 4.899 0 40 GJAB O=C(NCc1ccc(F)cc1)c1cn(Cc2ccccc2)nc1-c1cccs1 8136577 REXKOGCPEVLZAZ-UHFFFAOYSA-N 391.471 4.729 0 40 GJAB Cc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2C)c1 9019611 CRXKACZVUFZHMF-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C 9137562 CWSZKEXFNAJDLV-UHFFFAOYSA-N 386.879 4.536 0 40 GJAB O=S(=O)(Nc1ccccc1-c1cccs1)c1ccccc1Br 10512307 MRNRBZVWEKRCSO-UHFFFAOYSA-N 394.315 4.978 0 40 GJAB COc1ccc([C@@H](NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)C(C)C)cc1 11052916 MKBJMXXNSPGRBH-FYSMJZIKSA-N 395.499 4.586 0 40 GJAB c1cncc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2ccsc2)c1 12251632 HCFCZWOTLCMIEG-UHFFFAOYSA-N 388.452 4.608 0 40 GJAB CCCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1C(C)C 12321935 PQRZBBNGIUOVBU-UHFFFAOYSA-N 376.522 4.566 0 40 GJAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)c2cc3c(s2)CCC3)CC1 12336898 FKYMPSMELMFHEQ-UHFFFAOYSA-N 396.537 4.582 0 40 GJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1ccc(Cl)cc1 12617646 APPHENPMYIWGRG-UHFFFAOYSA-N 376.790 4.522 0 40 GJAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12655011 RQZAXGRLVPAYTJ-WSVRGUTQSA-N 384.516 4.575 0 40 GJAB in-vitro CN(Cc1cccc(Cl)c1Cl)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 12814478 OGQNMPLEXSYBDS-GOSISDBHSA-N 381.278 4.584 0 40 GJAB CC(=O)c1cccc(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)c1 12986452 WFNLUTOXIPMACC-UHFFFAOYSA-N 380.469 4.794 0 40 GJAB Cc1ccc([C@@H](Nc2ccc3nnc(C(F)(F)F)n3n2)c2cccs2)cc1 13010327 ASIGPYWAITTYDL-MRXNPFEDSA-N 389.406 4.715 0 40 GJAB Cc1nc2c(=O)n(Cc3ccc(Cl)cc3Cl)nc(-c3ccco3)c2s1 13010593 JNPRFGHKPVCJHN-UHFFFAOYSA-N 392.267 4.777 0 40 GJAB O=C(Nc1nc(CN2CCCCC2)cs1)C(c1ccccc1)c1ccccc1 14129655 GNORCXSNPFRWRQ-UHFFFAOYSA-N 391.540 4.900 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)s2)c(OC)c1 15829798 CZAJMBKJGDUBNQ-CYBMUJFWSA-N 396.306 4.505 0 40 GJAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 16086571 WDJCWBHIKPSVCR-INIZCTEOSA-N 379.481 4.596 0 40 GJAB COc1ccc(CCN2CCC[C@H](c3nnc(-c4ccc(C)s4)o3)C2)cc1 19217607 YTVLAWOHNJKRLK-KRWDZBQOSA-N 383.517 4.537 0 40 GJAB Cc1ccc(-c2nnc([C@@H]3CCCN3Cc3cccc4cccnc34)o2)s1 19217751 AJLZZPDGAYIIPQ-KRWDZBQOSA-N 376.485 4.992 0 40 GJAB Cc1ccccc1NC(=O)c1nnc2c(-c3cccc4ccccc34)cnn2c1C 19817173 IXFSWTUMANPHKP-UHFFFAOYSA-N 393.450 4.814 0 40 GJAB O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1cccc(Cl)c1 20765258 OGZXTTHDNWYZEB-UHFFFAOYSA-N 396.697 4.710 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1cccnc1NCCc1ccccc1 22072330 VFYUATMABGQDJX-UHFFFAOYSA-N 396.288 4.751 0 40 GJAB COC(=O)c1cccc2c1CCCN2C(=O)c1sc(-c2cccs2)nc1C 25193022 PVEYTFOTKVOBTG-UHFFFAOYSA-N 398.509 4.560 0 40 GJAB CC(C)c1noc([C@H](C)Sc2nccn2-c2ccc(Br)cc2)n1 27811014 YXUVFGUCYIUTSI-NSHDSACASA-N 393.310 4.995 0 40 GJAB Cc1ccc(-c2csc(-n3c(NC(=O)c4cccs4)cnc3C)n2)cc1 32616159 SZBBWCIPZVTLNW-UHFFFAOYSA-N 380.498 4.926 0 40 GJAB CCOc1ccc(-c2nsc(NC(=O)c3ccc(OC(C)C)cc3)n2)cc1 35681823 HPVSVYMWUFMSBL-UHFFFAOYSA-N 383.473 4.643 0 40 GJAB CC(C)C[C@@H](NC(=O)CCCOc1ccc(F)cc1)c1nc2ccccc2[nH]1 40050496 ZJVJXTKLUBANGJ-HXUWFJFHSA-N 383.467 4.765 0 40 GJAB C[C@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)[C@@H]2CCCC[C@H]12 40133851 ZMHKAXHAYPOCNU-PWIZWCRZSA-N 396.556 4.719 0 40 GJAB Cc1cc(C)cc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc23)c1 44169680 RXTQJXYNIMXUIQ-UHFFFAOYSA-N 377.513 4.784 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)c(C)c1 44843698 FIMSYPPPMZLXOQ-UHFFFAOYSA-N 399.487 4.540 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1ccccc1Cl 44948120 NSIAEXPPBLWBEU-SFHVURJKSA-N 377.937 4.855 0 40 GJAB COc1cccc(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)c1 48313141 MHKJNGOEAQBXEP-UHFFFAOYSA-N 395.478 4.709 0 40 GJAB CC(C)=CCN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 57731748 AVCZMJOPRTVNBL-UHFFFAOYSA-N 382.552 4.973 0 40 GJAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)COc1ccccc1C(F)(F)F 58391916 ZETKPOISEHJIIB-ZDUSSCGKSA-N 388.389 4.711 0 40 GJAB Cc1cc(SCC(=O)Nc2ccc(F)cc2F)nc(-c2cccc(F)c2)n1 67257359 NBSGCOCEWBEHRB-UHFFFAOYSA-N 389.402 4.600 0 40 GJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1F 67296186 DPNPVIURCSWJQN-NMWGTECJSA-N 395.415 4.522 0 40 GJAB Cc1ccncc1C1=CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 95464864 IGBSGIZFLSFWGH-UHFFFAOYSA-N 397.316 4.500 0 40 GJAB CC(C)N(C[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)Nc1ccc(OCC2CCOCC2)cc1 101910443 CNZNAHPCJIEEEG-PCCBWWKXSA-N 398.547 4.947 0 40 GJAB CC(C)(C)[C@@H]1CCc2onc(C(=O)NCCc3ccc(C(F)(F)F)cc3)c2C1 141543278 BUKVIHWEIVFHTL-OAHLLOKOSA-N 394.437 4.817 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1Cc1ccccc1 223370279 MLSIKUKYPREDJY-ROUUACIJSA-N 385.945 4.969 0 40 GJAB COc1cc2c(cc1S(=O)(=O)N[C@@H](CC(C)C)c1ccccc1)CCCC2 223594315 XYWBDSKHPWHUMS-FQEVSTJZSA-N 387.545 4.640 0 40 GJAB CSc1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)ccc2Cl)cc1 224988969 GYFRGDNOYNGDIG-UHFFFAOYSA-N 395.855 4.906 0 40 GJAB CC[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2)c1ccc(OC)c(C)c1 225190615 YQRJVDHPKXCZDD-JTSKRJEESA-N 381.516 4.917 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cc1Cl 225515397 XJWSVHBJDOFCGP-AWEZNQCLSA-N 390.936 4.824 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(SCC(C)C)s1 225784951 NQHGZEBKEHKPDS-AWEZNQCLSA-N 379.551 4.699 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCC)cc1C(=O)OC 225824710 CDSZFAIABDTQCS-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB O=C(COc1cccc2c1CCCC2)NCCSCc1cccc(Cl)c1 225860470 WKOZSXLLOOPLML-UHFFFAOYSA-N 389.948 4.647 0 40 GJAB CCCCCC(=O)NC(=S)Nc1cc(Cl)ccc1-c1ccc(C(=O)O)o1 226350528 LYXHGZGLHQTSEZ-UHFFFAOYSA-N 394.880 4.692 0 40 GJAB c1cnc(Nc2cccc(C3CCN(Cc4cccc5ncccc45)CC3)n2)nc1 257261035 LFLZMOHVMUJYNP-UHFFFAOYSA-N 396.498 4.543 0 40 GJAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1ccccc1F 257327594 XBZKMFRBUAZYQS-HDJSIYSDSA-N 385.464 4.641 0 40 GJAB CCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCC[C@H](C)C1 260812526 FIHGGMBYMASEJW-WJONJSRFSA-N 391.508 4.574 0 40 GJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816779 QFZTUPYGHLVHMF-XXBNENTESA-N 390.568 4.864 0 40 GJAB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)C(Cl)(Cl)Cl 408629360 YXMZPLKIILPFTG-UHFFFAOYSA-N 382.630 4.769 0 40 GJAB CCOC(=O)C1=CNc2cc(-c3ccc(Cl)cc3)nn2[C@@H]1c1ccccc1 409025500 VXYMBDGNIRFKLO-HXUWFJFHSA-N 379.847 4.665 0 40 GJAB O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccn(-c2ccccc2)n1 504744375 ARAREVFTEAYYNT-UHFFFAOYSA-N 390.830 4.965 0 40 GJAB COC[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 605277803 QQHXVABFQXIOPD-QGZVFWFLSA-N 385.813 4.795 0 40 GJAB COc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)cc1 704057 PWTXMOIFZJUJLK-UHFFFAOYSA-N 396.424 4.520 0 40 GJAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c3ccccc3)c(=O)[nH]c2c1 790329 LUVUFGYQPOOIQI-UHFFFAOYSA-N 382.463 4.679 0 40 GJAB Cc1cc(C)c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)cc(C)c2c1 874968 JUHGRWALULCZTO-UHFFFAOYSA-N 394.496 4.662 0 40 GJAB COc1ccc(C(=O)[C@@H](C)Oc2cccc(NC(=O)c3ccccc3)c2)cc1 992988 BERFVGIJAKLHIG-MRXNPFEDSA-N 375.424 4.598 0 40 GJAB Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)C3CC3)c(Cl)nc2c1 1367753 NGEOBUFDKSOYQA-UHFFFAOYSA-N 379.891 4.839 0 40 GJAB O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(Cl)cc1 1383881 JQIGIYGSOWUONU-UHFFFAOYSA-N 379.891 4.602 0 40 GJAB COc1ccc([C@@H]2OCc3ccccc3N2C(=O)c2cccc(OC)c2)cc1 1444303 LZLDNORFLSKEBR-QHCPKHFHSA-N 375.424 4.580 0 40 GJAB biogenic Cn1c2ccccc2c2cc([C@H]3N[C@H](C(=O)O)Cc4c3[nH]c3ccccc43)ccc21 1787665 NGQNWWAYSMYTDE-NZQKXSOJSA-N 395.462 4.501 0 40 GJAB biogenic CCCOc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C 2130286 LDOBIWVBSLCENL-OSVJCPFSSA-N 390.527 4.811 0 40 GJAB biogenic S=C(Nc1ccc(Cl)cc1)Nc1cccc(I)c1 2623528 NTGPIJXKEMMLOG-UHFFFAOYSA-N 388.661 4.754 0 40 GJAB CCCCOc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O 2716193 ZQAJOJQKSCULJV-UHFFFAOYSA-N 388.305 4.827 0 40 GJAB CCc1ccc(NC(=O)[C@H](C)OC(=O)C2(c3cccc(F)c3)CCCC2)cc1 3313744 CLWBFGKYFFTXIM-INIZCTEOSA-N 383.463 4.770 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N(Cc1ccco1)Cc1cccs1 3344898 QRAFEZOPXZCRKO-UHFFFAOYSA-N 391.496 4.986 0 40 GJAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccccc2)cc1 4811318 QDFYVWRFPZHCGO-LADGPHEKSA-N 386.451 4.946 0 40 GJAB CN(C)CCN(C(=O)c1ccc2ccccc2c1)c1nc2c(F)cccc2s1 5115711 VMAGLXLNWLTRGS-UHFFFAOYSA-N 393.487 4.797 0 40 GJAB O=c1oc2ccccc2c2c1C(c1ccncc1)c1c(c3ccccc3oc1=O)O2 5572504 DPSUPRDPIKIRLH-UHFFFAOYSA-N 395.370 4.580 0 40 GJAB CCCCc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 6110492 VUMXAYDOZCXREQ-UHFFFAOYSA-N 380.517 4.649 0 40 GJAB COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)ccc1OC(F)F 6410774 SVTOFJKUCDIKMA-XYOKQWHBSA-N 391.395 4.922 0 40 GJAB CCCn1c(SCC(=O)c2c(C)[nH]c(C)c2C(=O)OCC)nc2ccccc21 6417896 LGUTUJWXKUKBJB-UHFFFAOYSA-N 399.516 4.543 0 40 GJAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Br)s1 6480251 SXISSBAFRBXGNN-UHFFFAOYSA-N 387.107 4.618 0 40 GJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccc(F)cc3)c(C)c12 6623849 DDFOASUNUXEDPH-UHFFFAOYSA-N 379.387 4.785 0 40 GJAB biogenic CC(C)c1ccc(Nc2nnc(SCC(=O)N[C@@H](C)C(C)C)s2)cc1 6910116 MNLJGGQAINWIJF-ZDUSSCGKSA-N 378.567 4.658 0 40 GJAB Cc1ccc(-n2c(SC[C@@H]3CCCO3)nc3cc(Cl)ccc3c2=O)cc1 7146325 WYGACHSEOOWFKR-INIZCTEOSA-N 386.904 4.619 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 7403729 LSBQRBVYZREZAV-UHFFFAOYSA-N 375.350 4.635 0 40 GJAB C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)c1c[nH]c2ccccc12 7617126 FJDLECJEZXNALI-ZDUSSCGKSA-N 389.484 4.520 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)C(=O)CCc2ccccc2F)cc1 8389285 UMVBNYCLFRFNNA-UHFFFAOYSA-N 376.475 4.945 0 40 GJAB CCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccco3)cc2o1 8769085 OGTFHLBHUFXCIH-UHFFFAOYSA-N 375.380 4.704 0 40 GJAB biogenic Clc1ccc(OCc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 8991635 MXUQDUODCUFWGG-UHFFFAOYSA-N 381.848 4.567 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 10292638 SWGSHBMPUBHLOH-QFIPXVFZSA-N 399.535 4.805 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 12598673 PTGPXDNROCLMDG-IBGZPJMESA-N 396.560 4.672 0 40 GJAB COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c(OC)c1 12746035 PDPUZCZYZWZBEP-UHFFFAOYSA-N 375.468 4.589 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)CSc1ccc(Br)cc1C 12753403 YUTOXPUOZBTJAD-CYBMUJFWSA-N 394.334 4.736 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCc4ccccc43)c2n1 12951923 IEUIISFXGZWNDI-UHFFFAOYSA-N 387.266 4.818 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 15608700 SYWFUTOHQRHBFB-QGZVFWFLSA-N 382.504 4.664 0 40 GJAB C[C@H](OC(=O)c1ccccc1Nc1ccccc1)c1nc2ccccc2c(=O)[nH]1 16210017 GBXSIAADVIWTPG-HNNXBMFYSA-N 385.423 4.585 0 40 GJAB COc1ccc(CN2C(=O)CS[C@@H]2c2ccc3cc(OC)ccc3c2)cc1 17198409 MDGVXXRFCJBOMN-JOCHJYFZSA-N 379.481 4.631 0 40 GJAB COc1ccccc1-c1ccccc1CN1CCC[C@@H](Cn2ccnc2C)C1 19714573 SJPUAQGMCCJSQD-HXUWFJFHSA-N 375.516 4.779 0 40 GJAB O=C([C@H](Sc1nnc(C2CCCCC2)o1)c1ccccc1)N1CCCCC1 32741721 QGILFQQHUBXMNI-GOSISDBHSA-N 385.533 4.963 0 40 GJAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@H]1c1cccs1 32797666 ZFHXGNDKKHTOQN-GFCCVEGCSA-N 395.855 4.946 0 40 GJAB CCOc1cc(C(=O)NCc2cc(-c3ccccc3)no2)ccc1OCC(C)C 32927970 ZXPIALPCKSTHIF-UHFFFAOYSA-N 394.471 4.705 0 40 GJAB CN(C)[C@H](CNC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccc1Cl 32988583 ZGUFFRUYRWVNON-SZGBIAQMSA-N 395.374 4.637 0 40 GJAB COc1ccc(CCCc2nnc(SCc3ccc(C)cc3)n2C)cc1C 33739594 VTMTWSOTAAUNKB-UHFFFAOYSA-N 381.545 4.908 0 40 GJAB COc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2cccc(F)c2)cc1 36247055 RGKHSEJTDQHYCF-UHFFFAOYSA-N 385.460 4.538 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)c3cnn(C)c3C(F)(F)F)ccc21 36396752 YRXYAKNNIOYXLO-UHFFFAOYSA-N 386.377 4.819 0 40 GJAB Cc1noc(C)c1CSCC(=O)Nc1ccccc1N1CCc2ccccc21 36397111 QIHBMWLFMUERRM-UHFFFAOYSA-N 393.512 4.858 0 40 GJAB Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 44912300 MBPXYVHZEMXNHR-KRWDZBQOSA-N 391.342 4.830 0 40 GJAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 59433391 CKGWEVNGNACHBT-QQNJPBSNSA-N 397.449 4.787 0 40 GJAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 59488477 OBEOGVZUXGTXDK-KRWDZBQOSA-N 384.907 4.983 0 40 GJAB COc1ccc2c(-c3ccc(Br)cc3)cc(C(=O)O)cc2c1OC 62702276 PLRWIIHLWDWSIP-UHFFFAOYSA-N 387.229 4.985 0 40 GJAB Cc1c(NCc2c(F)cccc2Cl)cccc1C(=O)N1CCSCC1 65565807 HGLBHMQEBPPQHJ-UHFFFAOYSA-N 378.900 4.589 0 40 GJAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(C)c2C)nc1 67294246 BPFBBQILNUFNFO-LCUIJRPUSA-N 399.450 4.943 0 40 GJAB Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(OC(F)F)c2ncccc12 72008125 QSJNGANMGJIBIY-INIZCTEOSA-N 386.402 4.544 0 40 GJAB CN(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2ccccc2n1 72288052 PNBKLLRBUSFNHH-UHFFFAOYSA-N 392.846 4.534 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(F)c(Cl)c1)SCC(O)=N2 79477041 JZGNNVXDOKDVKE-KRWDZBQOSA-N 388.855 4.792 0 40 GJAB CC(C)n1ncc2c1N=C(O)CS[C@@H]2c1cc(Br)ccc1F 95476403 YEFNRRUAEBFRCI-CQSZACIVSA-N 384.274 4.790 0 40 GJAB COc1cc(F)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1OC 95965849 NSMICUBATXNIHP-UHFFFAOYSA-N 390.411 4.666 0 40 GJAB CC(=O)c1sc(NC(=O)c2cnc([C@@H]3CCCO3)s2)nc1-c1ccccc1 95976488 GWXHSODIKRYWOY-ZDUSSCGKSA-N 399.497 4.573 0 40 GJAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1)C12CC3CC(CC(C3)C1)C2 100425661 PFORADPDIUYKNE-BOSZTNLGSA-N 398.616 4.966 0 40 GJAB Cc1cc(Cl)cc(Cl)c1OCC(=O)n1c(C)c(C(=O)O)c2ccccc21 216856540 BFDTXGNSESPESB-UHFFFAOYSA-N 392.238 4.982 0 40 GJAB Cc1ccccc1NC(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220936101 CZALXTUODBLSFA-OAHLLOKOSA-N 382.489 4.593 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc2ccccc2c1 222837585 QJGURSMMDKCLMX-NRFANRHFSA-N 375.468 4.946 0 40 GJAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1 224374256 JZPBHICKGOSYIG-NHCUHLMSSA-N 376.529 4.721 0 40 GJAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C 224429656 LRQPVCFFWHSGQB-RTWAWAEBSA-N 394.519 4.836 0 40 GJAB CCc1ccc([C@H](C)NC(=O)c2ccc(C)cc2I)cc1 225034100 NSCQMLQVPZTTQB-ZDUSSCGKSA-N 393.268 4.653 0 40 GJAB COc1ccc(NC(=S)NCCSCc2ccccc2C)cc1Cl 225360959 PHZOMCJOSIBUGF-UHFFFAOYSA-N 380.966 4.877 0 40 GJAB C[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 245053480 OWCIJZXKECTWBE-CYBMUJFWSA-N 397.418 4.502 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 409143881 OEZYHDPVPFQXPE-UHFFFAOYSA-N 390.936 4.847 0 40 GJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 409345325 LHVFOLVPGVJTSH-UHFFFAOYSA-N 397.500 4.559 0 40 GJAB COc1ccc([C@@H](NC(=O)N2CCc3c([nH]c4ccccc34)C2)C(C)C)cc1 535403960 NNAZDIPCFWHCSS-QFIPXVFZSA-N 377.488 4.642 0 40 GJAB biogenic CC1(C)C(=O)Nc2cc(C(=O)N3CC4(CCCC4)c4c(F)cccc43)ccc21 576652163 VQMHEJYAFPMQQU-UHFFFAOYSA-N 378.447 4.528 0 40 GJAB COc1ccc(-c2ccc(C(=O)O)c(COc3ccccc3)n2)c(OC(C)C)c1 585266019 ZFGROVYOTZHAHL-UHFFFAOYSA-N 393.439 4.822 0 40 GJAB CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CC(Cc3ccc(C)cc3)C2)c(C)c1 952994789 QXGCUSHOKAHLOX-SFHVURJKSA-N 393.531 4.538 0 40 GJAB Cc1ccc(Oc2ccc(NC(=O)[C@H](O)c3ccccc3Cl)cn2)cc1C 1625930402 XWIWMXYNRIEMFX-HXUWFJFHSA-N 382.847 4.816 0 40 GJAB CC[C@H]1CCc2nc3sc(C(=O)c4ccc(OC)c(OC)c4)c(N)c3cc2C1 661964 BPOTXELOESREBY-LBPRGKRZSA-N 396.512 4.642 0 40 GJAB CCOc1ccc2cc3c(N)c(C(=O)Nc4ccccc4F)sc3nc2c1 891610 AWTBRYMPHROWHL-UHFFFAOYSA-N 381.432 4.822 0 40 GJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C)C3 1302032 UVENCBRGWONTAN-GFCCVEGCSA-N 386.542 4.693 0 40 GJAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 1972589 SYRKSOUTHOXJDS-UHFFFAOYSA-N 381.815 4.928 0 40 GJAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccc(Cl)s1 3315903 BPOCSYUQHOUARZ-UHFFFAOYSA-N 385.055 4.796 0 40 GJAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccccc2)c(C)c1 3665017 BWPSWSYDZNAMBH-QFIPXVFZSA-N 388.467 4.642 0 40 GJAB biogenic Cc1[nH]c2ccccc2c1C(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1 4163417 PANOKNZXTVOBRT-UHFFFAOYSA-N 382.463 4.888 0 40 GJAB O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 4273259 GKQXVTRWEOELOO-UHFFFAOYSA-N 391.471 4.996 0 40 GJAB CCOc1ccc(-c2nc3c(c(SC)n2)Cc2cccc(OC)c2O3)cc1 4316263 JFSHZVHEWPQNQU-UHFFFAOYSA-N 380.469 4.969 0 40 GJAB O=C(Cc1ccccc1)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1 4703934 PTMYYQJFMRDSRM-UHFFFAOYSA-N 387.464 4.551 0 40 GJAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1cccc(C(C)=O)c1 4849403 WCPBEYCKQJLBCU-UHFFFAOYSA-N 394.496 4.739 0 40 GJAB O=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 4854378 ZQNNMLNIONYFNC-IBGZPJMESA-N 396.288 4.888 0 40 GJAB Fc1ccccc1-c1n[nH]c(SCCOc2ccc(Br)cc2)n1 4878153 QNDZYZSXYHVJRP-UHFFFAOYSA-N 394.269 4.544 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(-c3ccoc3)c(-c3ccoc3)n2)cc1C 4993564 RRRPYNPLKNNBRC-UHFFFAOYSA-N 391.452 4.983 0 40 GJAB COC(=O)c1ccc(Nc2nc(-c3ccc(C)c(C)c3)c(CC(=O)O)s2)cc1 5023178 OINOHAFTHPEKIE-UHFFFAOYSA-N 396.468 4.584 0 40 GJAB O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1cccs1 5146492 HLRRJOKIEOUTIN-UHFFFAOYSA-N 387.917 4.637 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)C)o2)cc1 5210446 ZTGODTXDIAJURL-UHFFFAOYSA-N 381.501 4.574 0 40 GJAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1Cl 5779080 AOWSRYSYVBMPBC-UHFFFAOYSA-N 379.843 4.897 0 40 GJAB COC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCCC2 5914846 WBTFKZFOGNJVJA-UHFFFAOYSA-N 395.480 4.584 0 40 GJAB C[C@H](NC(=O)COC(=O)CCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 6376491 PNYDKUSCSUAMBJ-HNNXBMFYSA-N 398.890 4.565 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(CN3c4ccccc4CC[C@@H]3C)cs2)cc1 7619025 VBALJZDQGHZHDW-KRWDZBQOSA-N 391.540 4.974 0 40 GJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc2ncsc2c1 8131186 WEXZXZSBSZXJSH-UHFFFAOYSA-N 389.484 4.534 0 40 GJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccc(Cl)cc1 8751914 DBSSTSDYVMMEEP-UHFFFAOYSA-N 375.255 4.897 0 40 GJAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccnc2)c(C)c1 9360228 RYGRHLUUZJQCFB-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccccn1 9470691 ZHOBUVRJVZWVRB-MRXNPFEDSA-N 388.496 4.546 0 40 GJAB COc1ccc(-c2nsc(NC(=O)c3oc4ccc(C)cc4c3C)n2)cc1 12111372 WUCDITURZOORTM-UHFFFAOYSA-N 379.441 4.829 0 40 GJAB CC(=O)N1c2ccc(NC(=O)c3[nH]c4c(Cl)cccc4c3C)cc2C[C@@H]1C 12204627 GXNZVCYSBRBTQO-NSHDSACASA-N 381.863 4.680 0 40 GJAB CNS(=O)(=O)c1ccc(-c2ccc(/C=C/c3ccc4ccccc4n3)o2)cc1 12554668 VNHHREBZMWUGIZ-ZHACJKMWSA-N 390.464 4.573 0 40 GJAB Cc1ccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c(F)c1 12558976 JHYVBKIXKCEPKC-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 12581963 KFOVINAOVKFKSP-KYOSRNDESA-N 388.291 4.549 0 40 GJAB Cc1noc(CSc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)n1 12735014 FBNVNFNBNWJWHI-UHFFFAOYSA-N 393.390 4.941 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1Cl 12772785 PIFFIOFUXCXSPQ-UHFFFAOYSA-N 379.847 4.976 0 40 GJAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 12881627 MJYUAUYUCJRWPZ-INIZCTEOSA-N 386.300 4.528 0 40 GJAB CC(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12929844 UUAZCULHTPOZIS-QHCPKHFHSA-N 390.508 4.537 0 40 GJAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1cc(F)cc(F)c1 12997822 LBHVUICTOHMCQU-LJQANCHMSA-N 390.480 4.674 0 40 GJAB COc1cc(/C=C/C(=O)N(C)Cc2ccccc2F)cc(Cl)c1OC(C)C 13070014 QRYKYKILQXPTAF-MDZDMXLPSA-N 391.870 4.947 0 40 GJAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(OC)c2)c1 13776579 ACOVWVRQYXXCPT-ISKFKSNPSA-N 386.451 4.946 0 40 GJAB c1ccc(-n2cc(CNCCc3c[nH]c4ccccc34)c(-c3ccncc3)n2)cc1 13988000 RWFFTTYBGJVFDZ-UHFFFAOYSA-N 393.494 4.748 0 40 GJAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)Cc1ccccc1 15583228 IIDIRQZFFFUEFB-UHFFFAOYSA-N 386.904 4.956 0 40 GJAB O=C(O)C[C@H](SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 16931445 CFLMKRQPILKQFA-FQEVSTJZSA-N 392.476 4.640 0 40 GJAB COc1ccc(-c2nnc(OCc3nc4ccccc4n3C)c3ccccc23)cc1 17355352 NIXADISHNXOHFY-UHFFFAOYSA-N 396.450 4.771 0 40 GJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 17361122 BUUUFACPTAXLHG-UHFFFAOYSA-N 396.516 4.558 0 40 GJAB Cc1ccc2cccc(NC(=O)c3noc(C)c3COc3ccccc3F)c2n1 19663936 TZLIOCPYMTVJIX-UHFFFAOYSA-N 391.402 4.810 0 40 GJAB Cc1nc2cc(NC(=O)CCc3nc(C(C)C)no3)ccc2n1C1CCCCC1 19664093 MBWFWMCNUMOJRS-UHFFFAOYSA-N 395.507 4.928 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20144172 XKCWPIRMDSEXTL-UHFFFAOYSA-N 392.238 4.763 0 40 GJAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 20144992 DTWLSMILMRXOCN-UHFFFAOYSA-N 381.815 4.870 0 40 GJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccccc1Cl 20493009 KVLDLVQLLDLXFF-CYBMUJFWSA-N 384.328 4.810 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)OCc3ccc(-n4cccn4)cc3)o2)cc1 21585521 AKNPOEFHNIIVSK-UHFFFAOYSA-N 387.439 4.512 0 40 GJAB COc1cccc(CN(C)C(=O)c2sc3cc(F)ccc3c2Cl)c1OC 23527926 GDETYGWMBWQMMK-UHFFFAOYSA-N 393.867 4.983 0 40 GJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCNC(=O)c1ccsc1 24459507 YOJLONVBSKRNQH-GFCCVEGCSA-N 399.343 4.785 0 40 GJAB CCOc1ccccc1-c1nc(CC(=O)Nc2cnc3ccccc3c2)cs1 25157557 NXSVTACFYSKROE-UHFFFAOYSA-N 389.480 4.938 0 40 GJAB Brc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222603 BFEGJKNLQIYOIO-HXUWFJFHSA-N 396.332 4.861 0 40 GJAB Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccc(C)c(C)c3o2)o1 27991075 NLABOEPBPOUBDW-UHFFFAOYSA-N 391.423 4.747 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 28573002 GXNFTMVXENHIIO-UHFFFAOYSA-N 384.277 4.812 0 40 GJAB C[C@@H](Oc1ccccc1)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 32936644 IJDBDGOBBFCPNZ-DYESRHJHSA-N 379.431 4.530 0 40 GJAB CCc1nc(COC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cs1 36806680 OQPGKIPSKZUCSI-UHFFFAOYSA-N 378.906 4.768 0 40 GJAB CC(C)c1nc2cc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)ccc2o1 40081690 KIYSVZFWJDRVOV-UHFFFAOYSA-N 397.500 4.504 0 40 GJAB Cc1nccc(-c2cccc(NC(=O)c3cc(C(C)C)n(C(C)(C)C)n3)c2)n1 44500097 IFQVQERDWWKORA-UHFFFAOYSA-N 377.492 4.779 0 40 GJAB Cc1cccc([C@@H](NC(=O)c2ccc(Cn3ccnc3)cc2)c2ccccc2)c1 44856112 AEHPOJRZJFZTRI-DEOSSOPVSA-N 381.479 4.759 0 40 GJAB CC(=O)c1ccccc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 57273928 QNKLLSFLQURNAM-QHCPKHFHSA-N 392.886 4.860 0 40 GJAB O=C(COc1ccc(Cl)c2cccnc12)N1CCC[C@H]1c1ccc(F)cc1 58356964 DWNCNUAKSUODFK-SFHVURJKSA-N 384.838 4.770 0 40 GJAB Cc1ccc2[nH]c3c(SCC(=O)NCCC4=CCCCC4)ncnc3c2c1 72331949 GSOSQJMNYVRWOV-UHFFFAOYSA-N 380.517 4.518 0 40 GJAB O=C(c1cnc2ccccc2n1)N(Cc1cccs1)c1ccc(F)cc1F 89878656 GIWZKMFIXRSOBE-UHFFFAOYSA-N 381.407 4.817 0 40 GJAB COc1ccccc1CNC(=O)c1cc2c(c3ccccc3n2C)n1C(C)C 96037269 XMPQLPAHFJRMQY-UHFFFAOYSA-N 375.472 4.653 0 40 GJAB c1ccc(Nc2ccc3nc(C4CCN(Cc5ccsc5)CC4)nn3c2)cc1 96038317 GBYBLQPKORHCNW-UHFFFAOYSA-N 389.528 4.914 0 40 GJAB CC(C)C(=O)N1CCC[C@@]2(CCCN2Cc2ccc(-c3ccccc3)cc2)C1 96071309 KHNZNHDIOHAQSZ-RUZDIDTESA-N 376.544 4.967 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2)c1 102122101 ZGEZPJPZEVUSOB-XODARUQUSA-N 375.468 4.739 0 40 GJAB C[C@H](NC(=O)c1cc(Br)ccc1OC(F)F)[C@H]1C[C@H]2CC[C@H]1C2 103152837 NCROOAVJCNIGNZ-MRBYEJRBSA-N 388.252 4.605 0 40 GJAB CCc1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC 223678621 IGQDQGGSNPBJJA-UHFFFAOYSA-N 383.469 4.851 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)c1cnn(-c2ccc(Cl)cc2)c1 224054725 LOVPTRZHFZNJRI-UHFFFAOYSA-N 380.662 4.763 0 40 GJAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1ccccc1C(C)(C)C 224516769 MBALHPUUKSOSQE-QGZVFWFLSA-N 399.531 4.727 0 40 GJAB CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(SC)cc1 224978465 YDRSLFQIFTZXTC-UHFFFAOYSA-N 375.437 4.643 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)c(I)c1 225009649 OCAZOTLBMOHTIC-UHFFFAOYSA-N 379.241 4.975 0 40 GJAB O=C(NCCSC1CCCCC1)c1cc(Br)ccc1Cl 225069019 MZVGUFVPIDGPRC-UHFFFAOYSA-N 376.747 4.898 0 40 GJAB CCCSc1nnc(NC(=O)CSCc2c(F)cccc2Cl)s1 225103098 RTHQYMGPXHCJGP-UHFFFAOYSA-N 391.946 4.705 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCOc2ccc(Cl)cc2)c1 225110716 AHKOIUKMGMDUQU-INIZCTEOSA-N 375.896 4.734 0 40 GJAB O=C(Nc1ccccc1-c1ccccc1)c1cccnc1O[C@H]1CCSC1 225726663 BJFSKLQFNRYCAU-KRWDZBQOSA-N 376.481 4.885 0 40 GJAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)cc1C(=O)OC 225845858 YZHSKNVAOLVNDY-QFIPXVFZSA-N 393.524 4.966 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 225878815 PYSBHDNQDUUOJX-WASCAKKMSA-N 377.440 4.715 0 40 GJAB Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 408574600 IWYVHLRYGUDVDO-UHFFFAOYSA-N 396.556 4.883 0 40 GJAB O=C(NC(=S)Nc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1 408596778 UQIDLVUDGLCFBM-UHFFFAOYSA-N 382.297 4.730 0 40 GJAB Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3ccc(Cl)cc3)C2=O)cc1 409250718 XYXKAGGKRQGENI-DEDYPNTBSA-N 391.858 4.532 0 40 GJAB CC(=O)Oc1ccccc1-c1csc(=Nc2ccccc2Br)[nH]1 409376163 VICOZAMGXSFNNS-UHFFFAOYSA-N 389.274 4.663 0 40 GJAB C[C@@H]1C[C@H](CCNC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)CCO1 543381928 VKISFIYNGZJYGP-DNVFCKCGSA-N 378.516 4.701 0 40 GJAB O=C(N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)c1cc(=O)c2ccccc2[nH]1 568200717 JTGVNEHVEDJIGN-RDJZCZTQSA-N 380.875 4.638 0 40 GJAB CN(C)[C@H](CNC(=O)c1ccccc1C(F)(F)F)c1csc2ccccc12 575621730 SBRWGMXOULDPEV-QGZVFWFLSA-N 392.446 4.953 0 40 GJAB CCOc1ccc2nc3sc(C(=O)c4ccc(OC)cc4)c(N)c3cc2c1 917119 DFLDRXWNWNHBHP-UHFFFAOYSA-N 378.453 4.670 0 40 GJAB CCOC(=O)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N 1036756 ZETNLSPJEBYALN-UHFFFAOYSA-N 375.453 4.784 0 40 GJAB CSc1nnc(-c2sccc2OCc2cccc(C(F)(F)F)c2)n1C 1395899 BTMDFZSYLBTEOT-UHFFFAOYSA-N 385.436 4.863 0 40 GJAB S=C(NCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 4088089 VUBRQLUCBKHTMZ-FQEVSTJZSA-N 381.932 4.621 0 40 GJAB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)CC(C)C)n2)cc1 4704925 LNMWNGQEIIVRMO-UHFFFAOYSA-N 391.519 4.805 0 40 GJAB Cc1ccc(N2C(=O)C[C@@H](c3ccc(Cl)cc3Cl)C3=C2COC3=O)cc1 5266684 ARAICZKTVQKUAQ-HNNXBMFYSA-N 388.250 4.633 0 40 GJAB COc1ccc(CSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)cc1F 6374601 NZVPQISDNXIQLY-NSHDSACASA-N 378.400 4.789 0 40 GJAB Cc1c(Cl)cccc1NC(=S)Nc1ccccc1C(=O)NCc1ccco1 6507992 LTMGWCDYFLJMCR-UHFFFAOYSA-N 399.903 4.980 0 40 GJAB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccccc1C(=O)c1ccccc1 6626039 ULGZGOSKQPTQKR-UHFFFAOYSA-N 396.446 4.632 0 40 GJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3cc(C)ccc3C)o2)cc1OC 8231601 FDDCADHCCVAIHK-CQSZACIVSA-N 398.484 4.734 0 40 GJAB Cc1cc(F)ccc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1 8734523 XUJSSAGYJMGVOZ-UHFFFAOYSA-N 393.340 4.774 0 40 GJAB COc1ccc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc3nccnc23)cc1 9074349 YGYFDXBJJSYMID-UHFFFAOYSA-N 392.850 4.877 0 40 GJAB CCCNC(=O)CC1=C(C)/C(=C\c2ccc([S@@](C)=O)cc2)c2ccc(F)cc21 9184302 FWUCKECVFCUPCY-XGOYUMGASA-N 397.515 4.807 0 40 GJAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(-n2cnc3ccccc32)cc1 12540165 ZWZVOSLIUPAAIR-UHFFFAOYSA-N 396.494 4.874 0 40 GJAB O=C(CCc1ccccc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 12698781 KJRMSGRMZPWWJC-UHFFFAOYSA-N 379.481 4.685 0 40 GJAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(OC(F)F)cc3)ccc2c1 12978002 FJLASMYPZSYVNZ-CQSZACIVSA-N 385.410 4.870 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 13830117 OFEKXFBJAZZJNZ-UHFFFAOYSA-N 380.344 4.821 0 40 GJAB COP(=O)(OC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccccc1 16752244 YWEWTYRNCVIPFM-UHFFFAOYSA-N 392.779 4.718 0 40 GJAB CCCCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)c1 20141571 LQOJIAUFMJRJEU-UHFFFAOYSA-N 395.455 4.879 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 20530705 ILRPUAQKQAGJGT-UHFFFAOYSA-N 388.898 4.868 0 40 GJAB CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20745938 RKTVHEZEGDYBMX-QFIPXVFZSA-N 390.527 4.906 0 40 GJAB O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(N2CCCCC2)cc1 24842554 HIFUGKQPZFLLKH-UHFFFAOYSA-N 392.547 4.718 0 40 GJAB O=C(Nc1cccc(N2CCOC2=O)c1)c1sc2sccc2c1Cl 24985343 XAGINBPRUNASDM-UHFFFAOYSA-N 378.862 4.825 0 40 GJAB CC(C)c1ccc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 25767416 JORNSXBMQCYQOY-RMKNXTFCSA-N 376.544 4.600 0 40 GJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 26351801 JLKHTGZKMSPNKL-UHFFFAOYSA-N 396.490 4.770 0 40 GJAB CCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 27584102 UGAAWPUMYWHSBL-JOCHJYFZSA-N 380.532 4.741 0 40 GJAB O=C(CCc1cccc(Cl)c1Cl)NCc1cccc(NC(=O)C2CC2)c1 31714258 GCLSSAOOYLUNHZ-UHFFFAOYSA-N 391.298 4.591 0 40 GJAB COc1ccc([C@H]2CC(O)=Nc3nc(N)sc32)cc1OCc1ccc(F)cc1 32093519 HLRKQSMUJPOEDZ-CQSZACIVSA-N 399.447 4.576 0 40 GJAB O=C(NCc1c(Cl)cccc1Cl)c1ccc2[nH]c(C(F)(F)F)nc2c1 32501686 MGYHCCVLSZARHO-UHFFFAOYSA-N 388.176 4.819 0 40 GJAB Cc1sc2nc(CN(Cc3ccccc3)Cc3ccccc3)[nH]c(=O)c2c1C 33412956 SBIGRGDASKMDIX-UHFFFAOYSA-N 389.524 4.804 0 40 GJAB CCc1cc(C(=O)N2CCCCCC2)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621729 XVFUINIGFBQMMU-UHFFFAOYSA-N 388.515 4.877 0 40 GJAB CC[C@H](C)n1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 39556257 UUQUORHGZDLXDG-SLDJAQPHSA-N 391.446 4.844 0 40 GJAB O=S(=O)(CCCc1ccccc1)Cc1coc(-c2ccc(Cl)cc2)n1 40051433 AHOOKNLPRGGMNE-UHFFFAOYSA-N 375.877 4.543 0 40 GJAB Cc1cc(C)n(Cc2cccc(CNC(=O)c3ccc(Cl)cc3Cl)c2)n1 40139398 UXQPFLHFXUKNCE-UHFFFAOYSA-N 388.298 4.785 0 40 GJAB COc1ccc(C)cc1NC(=O)N(Cc1cc(=O)[nH]c2ccccc12)CC(C)C 41076953 NXKWJXFPTZLNKR-UHFFFAOYSA-N 393.487 4.535 0 40 GJAB COc1ccc(S(=O)(=O)Oc2cc(C)c(Cl)c(C)c2)c2ccccc12 41097145 COFCFTZKGFFPDT-UHFFFAOYSA-N 376.861 4.886 0 40 GJAB CCCCOc1cccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)c1 45889325 SIKSMBAAFJRFTA-UHFFFAOYSA-N 384.505 4.630 0 40 GJAB CC(=O)c1ccccc1NC(=O)CN[C@H](c1ccccc1)c1ccc(Cl)cc1 57273929 QNKLLSFLQURNAM-HSZRJFAPSA-N 392.886 4.860 0 40 GJAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(F)c2)n1 67296768 HHOGTKXZFMDLJB-ROMGYVFFSA-N 391.377 4.899 0 40 GJAB COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)n2)c(OC)c1 71977942 CMZHPTRGBWYGAD-UHFFFAOYSA-N 376.243 4.717 0 40 GJAB CC(C)(C)c1cnc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)o1 78954344 XGNDTUFXGHAHRL-UHFFFAOYSA-N 395.547 4.633 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccccc1Br)N1CCC[C@H]1Cc1ccccc1 84525713 HUUODBQVWVZRDT-QXAKKESOSA-N 384.317 4.786 0 40 GJAB COc1cccc([C@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)OC)c1 96390051 VCCFDDCVYNVHGG-FQEVSTJZSA-N 387.907 4.664 0 40 GJAB CC[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(C)cc1C 218819394 SOHIANORTWETSX-GOSISDBHSA-N 376.294 4.712 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cccc2ccccc12 218914960 SVUIYJKMPHSYFK-HXUWFJFHSA-N 375.468 4.946 0 40 GJAB Cc1ccccc1[C@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CCS1 219267496 UEDBZWGDHCWVDE-OAQYLSRUSA-N 395.503 4.845 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)c(C)c1 223027798 XIZGVPASGLFWKZ-IBGZPJMESA-N 389.879 4.930 0 40 GJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1 223408455 AWIQPHNEARYMTO-UXHICEINSA-N 395.553 4.633 0 40 GJAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2)c1 224088195 WHHJZFCRLCTKJK-UHFFFAOYSA-N 377.440 4.925 0 40 GJAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COCc1ccccc1 224353983 KIYYLNVOBJVLSJ-UHFFFAOYSA-N 375.468 4.684 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccccc1Cl 224455201 BVTVOVZUIPKMCZ-IBGZPJMESA-N 383.875 4.846 0 40 GJAB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc3ccccc3c2)c1 225065983 IRTPDUICCPUDGE-UHFFFAOYSA-N 397.496 4.540 0 40 GJAB O=C1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2cc3c(cc21)CCCC3 225825685 LMABOXDRKSFGKU-UHFFFAOYSA-N 379.475 4.705 0 40 GJAB CCN(CC)c1ccc(N)cc1C(=O)Nc1c(C)cc(Br)cc1C 226324314 AVJOHZSXOMAYER-UHFFFAOYSA-N 390.325 4.747 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N(C)CC2CC2)[C@@H]1c1cccs1 257173372 LMIAJHBXYYXDAL-SFTDATJTSA-N 396.556 4.553 0 40 GJAB Cc1cccnc1Nc1cncc([C@@H]2CCCN2C(=O)CC2CCCCC2)n1 257237157 HFJDQODLUDJNNF-IBGZPJMESA-N 379.508 4.558 0 40 GJAB Cc1ccc(-c2cc(=S=NS(=O)(=O)c3ccccc3)ss2)cc1 408731736 PLLAVHOQHHAFJC-UHFFFAOYSA-N 379.553 4.972 0 40 GJAB O=C(O)Cc1sc(=Nc2ccc(Cl)c(Cl)c2)[nH]c1-c1cccs1 408878999 CEDUSVFGLAWTPX-UHFFFAOYSA-N 385.297 4.971 0 40 GJAB Cc1ccccc1CSCCNC(=O)COc1ccc(Cl)cc1Cl 409029092 VTQBDVYRLHBFKN-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB CCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O 409134601 WNFXFVKLPIBKLL-ZHZULCJRSA-N 392.480 4.777 0 40 GJAB O=C(Nc1ccc(CN2CCCCCC2)cc1)c1cccc(Cn2ccnc2)c1 553488296 VKAWQEOZHRRADL-UHFFFAOYSA-N 388.515 4.560 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1C 637468 FDYILRSDICIQFG-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB COc1ccc(C(=O)N2CN(Cc3ccco3)Cc3c2sc(C)c3C)cc1 938009 WIXNZZXOFLAFQV-UHFFFAOYSA-N 382.485 4.587 0 40 GJAB COc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1NC(=O)C(C)C 1111409 SQZJOPLEOMLZEQ-UHFFFAOYSA-N 398.503 4.605 0 40 GJAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)NC1C2CC3CC(C2)CC1C3 1266057 WCIWBTFHIJHOPL-NSCUHMNNSA-N 380.315 4.956 0 40 GJAB Cc1csc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)n1 1290796 ZCYDWZWRGWTCGM-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB CCOc1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1 1332611 YELAMHKMMJEEPJ-UHFFFAOYSA-N 379.485 4.637 0 40 GJAB CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)C3CC3)ccc2c1=O 2434467 BKTWCDQWXFPPLV-UHFFFAOYSA-N 380.396 4.608 0 40 GJAB biogenic Cc1c(Cl)cccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3231651 NNVZWAKFDQDAOT-UHFFFAOYSA-N 386.662 4.680 0 40 GJAB Cc1cc2oc(=O)cc(COC(=O)c3cc4c(s3)CC[C@H](C)C4)c2cc1C 3398772 RDSDAQNFDXIWBI-LBPRGKRZSA-N 382.481 4.953 0 40 GJAB Cc1ccc2cc([C@H]3NC(=O)c4c(sc5c4CCCC5)N3)c(Cl)nc2c1 4349833 TUUBVNTVUHTJKS-SFHVURJKSA-N 383.904 4.991 0 40 GJAB Cc1ccccc1[S@@](=O)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 4682711 PBECMKNRFIKDCK-RUZDIDTESA-N 390.917 4.518 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1 4776899 TUOBXBQPRHDAKI-UHFFFAOYSA-N 389.691 4.782 0 40 GJAB Cc1ccccc1-n1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2 5077592 SPEVJQDTNXITQY-UHFFFAOYSA-N 375.453 4.926 0 40 GJAB Cc1cc(C)cc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c1 5147330 LNOPUHWQPXUVBH-UHFFFAOYSA-N 379.460 5.000 0 40 GJAB Cc1cc(C)cc(C[C@H](C(=O)O)[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 5199512 LRIUCVQDZOCJSG-KSSFIOAISA-N 393.405 4.840 0 40 GJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc2c(c1)CCC2 5359388 PSKZOECEOUXWFN-UHFFFAOYSA-N 396.541 4.561 0 40 GJAB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cccc(Br)c1 6515916 XDZBGKZYWQXLEV-UHFFFAOYSA-N 390.277 4.542 0 40 GJAB Cc1n[nH]c2c1[C@H](c1ccc(OCc3cccc(F)c3)cc1)S[C@@H](C)C(=O)N2 6678722 QGPVDZRWYFKJHP-DJJJIMSYSA-N 397.475 4.599 0 40 GJAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1 6933461 XSDMQIJGGNKULN-XMMPIXPASA-N 395.462 4.660 0 40 GJAB COc1ccc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cc1OC 7167979 VQWJNJWRMLFQDH-ZHZULCJRSA-N 399.446 4.740 0 40 GJAB CCCCc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 7596000 DBVYESYDCNJKFV-UHFFFAOYSA-N 389.499 4.508 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3cccc(F)c3)cc12 7652771 KSOIMWWSSFVIPD-UHFFFAOYSA-N 383.423 4.985 0 40 GJAB COc1ccccc1CC(=O)Nc1cccc(-c2nnc(-c3cccc(C)c3)o2)c1 8187115 BSVGTQQPPJNYTP-UHFFFAOYSA-N 399.450 4.902 0 40 GJAB CC(C)c1ccc(CN(C(=O)c2cccc(CN3CCCC3=O)c2)C2CC2)cc1 8357660 KKNMEIOWMGTCNQ-UHFFFAOYSA-N 390.527 4.737 0 40 GJAB CCCCNC(=O)Cc1csc(SCc2ccc(Br)cc2)n1 8854517 GAGSWIMOOCXDLK-UHFFFAOYSA-N 399.379 4.657 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)o3)cc2)c1 9062072 QSDJGITZEKDVFQ-UHFFFAOYSA-N 398.422 4.550 0 40 GJAB Cc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c2c(C)noc2n1 10577424 UPDMHXLMHRQDSY-UHFFFAOYSA-N 379.416 4.524 0 40 GJAB COc1cc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)cc(OC)c1 11341104 HTOIRXAVMOHUCP-LLVKDONJSA-N 396.306 4.586 0 40 GJAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1OC(F)F 12558912 PCIFFHOGNFAKGL-HNNXBMFYSA-N 389.446 4.717 0 40 GJAB CCOc1ccc(OCCSCCC(=O)Nc2ccccc2SC)cc1 13017181 AJMPBHMTYPPNBN-UHFFFAOYSA-N 391.558 4.948 0 40 GJAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccccc1 13284463 UQNMBQAEJAYXSC-QFIPXVFZSA-N 380.451 4.758 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(F)cc1F 14796147 WQUFZVUVWIREIQ-UHFFFAOYSA-N 375.806 4.732 0 40 GJAB C[C@@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1ccc(F)cc1F 15694230 AQPPLHZTKKAMIU-LLVKDONJSA-N 396.231 4.568 0 40 GJAB Cc1ccc(C)c(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1 16899412 HRSQSBWYEZSKRX-INIZCTEOSA-N 394.418 4.764 0 40 GJAB Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCCCN2C2CCCCC2)n1 19766964 UHZUDQKLUHWRKK-QFIPXVFZSA-N 392.547 4.575 0 40 GJAB COc1ccccc1[C@H]1CC(=O)c2c(C)nc(Nc3ccc(F)cc3)nc2C1 20795861 IRWKCXDDYYEUQA-CQSZACIVSA-N 377.419 4.589 0 40 GJAB Cc1ccc(OC[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1C 21659916 OSAVBCPJTWDQTF-OAQYLSRUSA-N 386.495 4.684 0 40 GJAB C[C@H]1C[C@H](C)CN(C(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)C1 21741607 MAWWDUVYOJUCIG-MELADBBJSA-N 393.603 4.648 0 40 GJAB CC(=O)c1ccccc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C 23437110 FFKWPJSOOOOMDG-UHFFFAOYSA-N 384.432 4.625 0 40 GJAB COc1ccc2nc(C)c(C(=O)Nc3ccc(C)cc3Br)cc2c1 25766863 NRJBBUXBSMVGDX-UHFFFAOYSA-N 385.261 4.875 0 40 GJAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1nc(C2CC2)cs1 26051394 LOQNVXBJQQBWGH-UHFFFAOYSA-N 375.906 4.979 0 40 GJAB COc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 27530291 WEFQADLGVZVPOZ-QFIPXVFZSA-N 380.532 4.560 0 40 GJAB CCc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)c2ccccn2)cc1 27662001 MEGCVOGBGLYXRU-UHFFFAOYSA-N 380.875 4.910 0 40 GJAB COc1ccc(OCc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)o2)cc1 27983817 DGJWUHCOOBFYII-OAQYLSRUSA-N 377.440 4.675 0 40 GJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(Cl)c1C)O[C@@H](C)C2 32854020 HURUTYZIYUNRLK-GXTWGEPZSA-N 388.895 4.810 0 40 GJAB CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1cnn(-c2ccccc2)c1 32891579 MVKGMXMQUUYZHC-UHFFFAOYSA-N 389.286 4.521 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCCCCCC1 33659395 BRJIQRNCDBWHBD-QFIPXVFZSA-N 378.516 4.777 0 40 GJAB CC(=O)c1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 36442619 MRDRDAGEXQMFNR-OAQYLSRUSA-N 396.537 4.598 0 40 GJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 38500881 URHBJTAEJNLRSE-NVXWUHKLSA-N 387.499 4.745 0 40 GJAB Cc1nc(NC(=O)COc2ccc(C(F)(F)F)cc2)sc1-c1ccccn1 40141767 MPICMWIPBCEHIF-UHFFFAOYSA-N 393.390 4.550 0 40 GJAB CCc1nn2c(ncc3c(=O)n(CCc4ccccc4)ccc32)c1-c1ccccc1 40387844 IHKHSDHGODWYBF-UHFFFAOYSA-N 394.478 4.516 0 40 GJAB Clc1ccc(OCCn2cc(-c3cnn(Cc4ccccc4)c3)cn2)cc1 49592518 UZNNRUMPHFDHBG-UHFFFAOYSA-N 378.863 4.527 0 40 GJAB O=C(NC1CC1)c1ccc(NCc2ccc(Br)cc2F)cc1Cl 55873143 JYIQZVUYJLNHAZ-UHFFFAOYSA-N 397.675 4.746 0 40 GJAB Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1C 57486569 DFGGWUMCXIHSSS-UHFFFAOYSA-N 390.418 4.600 0 40 GJAB Cc1ncc(CN(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)s1 58265641 FKKNWFSQZMSPHR-UHFFFAOYSA-N 398.454 4.734 0 40 GJAB Cc1cc(Cc2ccccc2F)cc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 72356061 CBNHWKLQINWQKV-OAQYLSRUSA-N 389.474 4.535 0 40 GJAB COc1ccc(CN2CCC[C@H](c3nccnc3-c3ccccc3OC)C2)cc1 72358398 CQKRFZKGDNERKT-IBGZPJMESA-N 389.499 4.540 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1cccc(OC(C)C)c1)SCC(O)=N2 79490291 LKPGOEHVVMEJDE-HXUWFJFHSA-N 394.500 4.787 0 40 GJAB O=C(NNc1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502088 OGHJRAHWHRPKDN-KGLIPLIRSA-N 399.210 4.715 0 40 GJAB Cc1ccc(OCCc2nnc(NC(=S)Nc3ccccc3)s2)cc1C 95116436 REPSGWARLUUQLK-UHFFFAOYSA-N 384.530 4.585 0 40 GJAB CC[C@](CNC(=O)CCc1ccc(C(F)(F)F)cc1)(OC)c1ccccc1 96123749 QQZHSUYWHODHQQ-HXUWFJFHSA-N 379.422 4.706 0 40 GJAB Cc1cc(C)c(NC(=O)COc2ccc(C3SCCCS3)cc2)c(C)n1 97040300 SGEKKQOIMUTLMC-UHFFFAOYSA-N 388.558 4.893 0 40 GJAB COc1ccc([C@H]2c3sc(O)nc3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1OC 100623271 SNUBHAJWZFBQHA-SJWGDGNFSA-N 375.515 4.518 0 40 GJAB FC(F)(F)C12C[C@H]3C[C@@H](CC(NCc4ccc(-n5cccn5)cc4)(C3)C1)C2 102299691 QGKGJKPJNZAHSE-NXMBOHNASA-N 375.438 4.863 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219318041 OAJXXFAJQUOHCG-VQTJNVASSA-N 383.488 4.580 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224160748 UFCNTOZZXUTNFE-UXHICEINSA-N 376.529 4.815 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1C 225341452 RBZLXYAYWKDKKP-RBUKOAKNSA-N 381.516 4.533 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)c(C)c1 225704596 SUXBMLDXKHLLCE-FQEVSTJZSA-N 398.528 4.544 0 40 GJAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(OC)c2ncccc12 225706017 PMKDWWRYSYMTBB-GOSISDBHSA-N 393.512 4.616 0 40 GJAB COc1cccc(-c2nnsc2C(=O)Nc2cc(Cl)ccc2Cl)c1 225766152 GTVUHEMSOFPZNL-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(C(F)(F)F)cc3)n2)cc1 225817386 UGRBXIFQKLMPNW-UHFFFAOYSA-N 392.406 4.550 0 40 GJAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cccc(C)c2)c1 408694676 LRZJUQKCQVWOKU-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB COc1cc(CNc2cccc(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 409109511 GKQKQRJYEBRWFW-UHFFFAOYSA-N 397.496 4.692 0 40 GJAB COc1cc(CNc2ccccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409109591 HUJNYBINHVEYTO-UHFFFAOYSA-N 397.496 4.692 0 40 GJAB C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nc3ccccc3s2)s1 548397495 IEWDTVKZWGIGCB-KGLIPLIRSA-N 386.542 4.790 0 40 GJAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)Cn1cnc2ccccc21 585151406 CKOWDBWFIAAHSL-UHFFFAOYSA-N 399.479 4.655 0 40 GJAB O=C(NCCOc1ccccc1-c1ccccc1)c1cc(-c2cccs2)[nH]n1 1631317175 KKZGQRHQOCNMIF-UHFFFAOYSA-N 389.480 4.614 0 40 GJAB CN([C@@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl 1660583920 QGRDMACUSXGKSW-FQEVSTJZSA-N 389.879 4.889 0 40 GJAB COc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCCC4)cc1 630513 QVRBFARLKACXKF-UHFFFAOYSA-N 399.541 4.700 0 40 GJAB CC(=O)N(Cc1ccco1)c1nc(C(=O)Nc2ccc(Cl)cc2)c(C)s1 793234 FNJAPGWTSONLMK-UHFFFAOYSA-N 389.864 4.503 0 40 GJAB Cc1ccc2ccccc2c1NC(=O)CSc1nnc(-c2ccccc2O)o1 970942 WSBOJGMQUHOQIT-UHFFFAOYSA-N 391.452 4.635 0 40 GJAB COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1Cl 1005412 HZUBTSDUNWMLJZ-UHFFFAOYSA-N 389.691 4.782 0 40 GJAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 1092979 AFIKJLLECSYZEE-VUUXHMSQSA-N 379.459 4.647 0 40 GJAB biogenic CCc1ccc2nc3sc(C(=O)Nc4ccc5c(c4)OCO5)c(N)c3cc2c1 1342799 IYYGQWIESKTCLH-UHFFFAOYSA-N 391.452 4.575 0 40 GJAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(c1nc3ccc(OC(F)(F)F)cc3s1)C2=O 2827205 FIKPYXNULANZGC-QGHHPUGFSA-N 398.406 4.511 0 40 GJAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CC(C)C)CC1=O 4033589 GXXCXZKWYNQJBG-OAHLLOKOSA-N 397.906 4.875 0 40 GJAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OC)cc3)sc2c1 4690798 MRNJPVYAJBTDTC-UHFFFAOYSA-N 399.541 4.774 0 40 GJAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1Cl 4888136 YXRVMTSYWONUII-IHWFROFDSA-N 382.935 4.964 0 40 GJAB O=C(Nc1[nH]nc(-c2ccc(Cl)cc2)c1Br)c1ccccc1 5409260 AKHNTNGARCWAOD-UHFFFAOYSA-N 376.641 4.745 0 40 GJAB CC[C@H](C)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 6051616 YQBRKVSOKZFVMJ-AWEZNQCLSA-N 390.512 4.986 0 40 GJAB COc1ccc2cc(COC(=O)c3ccc(Br)o3)c(Cl)nc2c1 7988627 HDQUIJGYCLPVDL-UHFFFAOYSA-N 396.624 4.609 0 40 GJAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 8131956 ZPSNQIFZTMRMIU-NRFANRHFSA-N 399.899 4.611 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 8614066 OIBCJVYDGIHIMZ-UHFFFAOYSA-N 381.432 4.563 0 40 GJAB CCc1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 8673534 RRCODNYFSVSVKT-MRXNPFEDSA-N 378.472 4.564 0 40 GJAB CCN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2Oc2ccccc21 9134633 OYTNRSGNKOFKJW-UHFFFAOYSA-N 376.387 4.850 0 40 GJAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 10253463 WYMHPGNYPNJEOV-UHFFFAOYSA-N 395.480 4.913 0 40 GJAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1O 11679903 OODRVQHSPKWQBR-UHFFFAOYSA-N 377.227 4.925 0 40 GJAB COc1ccc(Cl)cc1-n1c(N)c(C(=O)NC2CCCCC2)sc1=S 12416076 MSJMWJCCJLPWFF-UHFFFAOYSA-N 397.953 4.575 0 40 GJAB O=C(Cc1noc2ccccc12)Nc1ccc(N2CCCCC2)c2ccncc12 12555381 UHVYMWSKGJOPQX-UHFFFAOYSA-N 386.455 4.548 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12581043 XYKQSFVJZBBSQS-MRXNPFEDSA-N 390.270 4.612 0 40 GJAB Cc1nc2ccccc2nc1CS[C@H](C)C(=O)NCc1ccccc1Cl 12976716 GXPNJLLOLBSPDU-CQSZACIVSA-N 385.920 4.530 0 40 GJAB Cc1cccc(NC(=O)CNC(=O)c2ccc(-c3ccccc3Cl)o2)c1C 12977875 QYYLKADLJKREMZ-UHFFFAOYSA-N 382.847 4.585 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1 14575058 MFPTZLAOLYJONZ-GFCCVEGCSA-N 389.833 4.662 0 40 GJAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC[C@H](c1ccccc1)N(C)C 16599657 CBNDNVZCCZRIKE-GOSISDBHSA-N 399.947 4.805 0 40 GJAB CCOc1ccc(N2CCn3c(SCc4ccc(Cl)cc4)nnc32)cc1 17307784 PDJWQCDAYMMOOK-UHFFFAOYSA-N 386.908 4.774 0 40 GJAB CC(C)(C)c1csc(CCNC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)n1 19715628 GOCNCAICIIFZIM-CYBMUJFWSA-N 389.565 4.552 0 40 GJAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(c1ccccn1)CO3 20648391 SYKJWTAGEJPENT-UHFFFAOYSA-N 390.826 4.865 0 40 GJAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)c1 21595291 CZCKGVVMQAUGLO-HNNXBMFYSA-N 393.512 4.847 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)C3CCCCC3)n2)cc1 21792102 TWVYSCFWOJYIAW-UHFFFAOYSA-N 377.444 4.931 0 40 GJAB CC(C)C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 22532575 AJOSOODHOWCSNO-KRWDZBQOSA-N 382.323 4.515 0 40 GJAB Cc1cccc(NC(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)c1 22906864 NYCGWSPCGOUWDX-OAQYLSRUSA-N 375.472 4.509 0 40 GJAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(Cl)cc1N1CCCC1=O 27492882 NXKUGFSRILFDOU-UHFFFAOYSA-N 395.261 4.532 0 40 GJAB Cc1nccn1-c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 28574794 GFLRYIBUGLOHEH-UHFFFAOYSA-N 378.819 4.741 0 40 GJAB O=C(CCSc1ccc(F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 29267719 CMGQHBJXVQNYSK-UHFFFAOYSA-N 383.492 4.590 0 40 GJAB COc1ccc(/C=C(/C(=O)N(C)Cc2ccccc2OC)c2ccccc2)cc1 30872022 HHOVIHFLYITNAI-HAVVHWLPSA-N 387.479 4.903 0 40 GJAB Cc1ccc2cc(COC(=O)COc3ccc4c(c3)CCC4)c(Cl)nc2c1 32911087 LXYRNXDWCGCCKJ-UHFFFAOYSA-N 381.859 4.808 0 40 GJAB COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cn1 32915876 CMIIOHMHRBOUKG-UHFFFAOYSA-N 398.484 4.609 0 40 GJAB COC(=O)c1ccc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)cc1 33039503 BGYZKOYFWMBJSO-PXLXIMEGSA-N 397.430 4.509 0 40 GJAB C[C@H]1c2ccsc2CCN1C[C@H](O)COc1ccc(-c2ccccc2)cc1 34801143 VKSABQUVIAQQOB-PXNSSMCTSA-N 379.525 4.774 0 40 GJAB CCn1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2C)c2ccccc21 39556718 SKXXWHZWPKQTCM-UNOMPAQXSA-N 395.915 4.919 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c2)oc1C 40155050 RIBRHYRBLCVFEB-OAQYLSRUSA-N 392.455 4.769 0 40 GJAB O=C(CSCc1ccccc1)N(CCc1ccccc1)Cc1ccccn1 62017916 OEFUSFHPVRBLDH-UHFFFAOYSA-N 376.525 4.586 0 40 GJAB C[C@H]1C[C@@H](C)CN(C(=O)c2csc(-c3cc(Br)cs3)n2)C1 65491828 SVXFYLQIFKGLAS-AOOOYVTPSA-N 385.352 4.752 0 40 GJAB COc1ccc(-c2n[nH]c(S[C@H](C)c3c(F)cccc3F)n2)c(OC)c1 68749344 QPPXPFHSFICRPC-SNVBAGLBSA-N 377.416 4.620 0 40 GJAB Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3cc(C)nc(-c4cccnc4)n3)n2)c1 79017560 WQAKRVMFTPVJOH-NRFANRHFSA-N 396.498 4.887 0 40 GJAB Cc1cc(C(=O)NCc2nc3ccccc3s2)c(C)n1Cc1cccs1 84080245 TZZBLCBOVFFTOJ-UHFFFAOYSA-N 381.526 4.754 0 40 GJAB CCOC(=O)c1c(C)oc2nc(CS[C@@H]3CCCc4ccccc43)nc(N)c12 84795683 UVAJXUWIEXFZPX-OAHLLOKOSA-N 397.500 4.601 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc23)s1 96052620 KDRXRHBHXVSHLU-LJQANCHMSA-N 396.600 4.992 0 40 GJAB Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccccc2)c1 100424591 MNOXHWFDLVMUCP-FGZHOGPDSA-N 379.573 4.867 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1Cl 103718801 ZXVMKJOVBSXQGG-GFCCVEGCSA-N 396.796 4.659 0 40 GJAB CC(=O)N[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118918324 UORSHAGGYHADPG-PAEOBQDHSA-N 387.564 4.632 0 40 GJAB C[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc2c(c1)CCCC2 222927175 JIJBEHKHCXLDTR-INIZCTEOSA-N 384.479 4.556 0 40 GJAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2c1 223004478 OHCIOVMQDKYTQB-INIZCTEOSA-N 395.524 4.767 0 40 GJAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 224384163 GPQCBVYQCBBDIN-NHCUHLMSSA-N 376.529 4.721 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224614235 TWOFJPUWUKLWMO-LJQANCHMSA-N 394.559 4.664 0 40 GJAB CCOc1ccccc1NC(=S)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 225685862 KEAQLVCIJSDIOB-QGZVFWFLSA-N 386.517 4.683 0 40 GJAB CCC1(CC)C[C@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 256053219 QNWRRYRBZDHUSF-QHCPKHFHSA-N 379.456 4.559 0 40 GJAB Cc1cccc(CN2CCC(c3cncc(Nc4nc(C)c(C)s4)n3)CC2)c1 257224220 FAUYSBXAVCBAPI-UHFFFAOYSA-N 393.560 4.982 0 40 GJAB CCCN(C(=O)c1ccc2ncccc2c1)[C@H]1CCCN(Cc2ccccc2)C1 505000756 JORLTJGIHHRIDB-QHCPKHFHSA-N 387.527 4.752 0 40 GJAB O=C(c1cccc(C(F)F)c1F)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 528904925 WMLDURVYEFQEGZ-OAHLLOKOSA-N 386.377 4.526 0 40 GJAB Cn1ncc(C2CC2)c1C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1 585114297 AJNGWEIROQHHMR-UHFFFAOYSA-N 386.377 4.631 0 40 GJAB COc1cccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)c1 670417812 IETVRAWCOAZAJI-UHFFFAOYSA-N 387.479 4.964 0 40 GJAB O=C(NCc1cncc(-c2cccnc2)c1)c1cccc(OCc2ccccc2)c1 675008179 GQJFENQWHFBDDC-UHFFFAOYSA-N 395.462 4.653 0 40 GJAB CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)nc1 1128479253 GUQURHYEOGAPJQ-UHFFFAOYSA-N 376.243 4.639 0 40 GJAB CC(C)C[C@H](C(=O)N(C)c1ccc(-c2ccccc2)cc1)N1CCCCC1=O 1265570638 LIBMTXFWAJJHPR-JOCHJYFZSA-N 378.516 4.744 0 40 GJAB Cc1ccc(CC(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)s1 2037978091 ZZBAZVWMHOTXCH-JOCHJYFZSA-N 386.536 4.788 0 40 GJAB Cc1cc(-c2ccc(Br)cc2)oc(=O)c1NC(=O)c1ccccc1 1398213 SHXFJVLGULJDBL-UHFFFAOYSA-N 384.229 4.630 0 40 GJAB COc1ccc2ccccc2c1/C=C/[C@]12NC(=O)CN1c1ccc(C)cc1C2(C)C 2429194 YJBUDQYOPAHZKR-ODUIWNOOSA-N 398.506 4.794 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CSc1nccn1-c1cccc(C)c1 2723036 SCWAGIQZRPFFCJ-UHFFFAOYSA-N 387.892 4.574 0 40 GJAB COc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)c(OC)c1 2961462 OOLNKALQNLNRAA-UHFFFAOYSA-N 391.452 4.628 0 40 GJAB COc1ccc(-c2nsc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 3007369 DYAPBAWPVUTBGA-UHFFFAOYSA-N 391.905 4.598 0 40 GJAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 4064403 ZYPZUNSVMUIZNX-INIZCTEOSA-N 385.291 4.745 0 40 GJAB C[C@@H](CC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccccc1 4696196 HQUCKAJDZJHCEO-ZDUSSCGKSA-N 387.892 4.903 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(F)cc3)on2)sc(C)c1C 4880474 VATPPQPMVSCJDD-UHFFFAOYSA-N 388.420 4.588 0 40 GJAB COc1cc2nc(-c3ccccc3)nc(N3CCCC(C)(C)C3)c2cc1OC 4898525 ZHHCUSHCMVNJFF-UHFFFAOYSA-N 377.488 4.940 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccc(Cl)cc1 5099356 HQWZOYIDJBBDBR-UHFFFAOYSA-N 380.831 4.778 0 40 GJAB O=C(NCCc1csc(-c2ccc(F)cc2)n1)C12CC3CC(CC(C3)C1)C2 5137420 VQQCTDOMKZLCBQ-UHFFFAOYSA-N 384.520 4.824 0 40 GJAB COc1cccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1 6157294 KZMYMWGVJQNOLP-OAHLLOKOSA-N 396.516 4.519 0 40 GJAB COc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1ccc(C)cc1)=N2 6245054 TZXLIWCAEAUVIQ-UHFFFAOYSA-N 384.483 4.504 0 40 GJAB COc1cccc(/C=C/C(=O)Nc2ccc(Br)cc2Cl)c1OC 6260162 QZANVZZLMOKFSG-RMKNXTFCSA-N 396.668 4.772 0 40 GJAB COC(=O)c1cccc(-n2c(C)cc(/C=C/C(=O)c3ccc(OC)cc3)c2C)c1 7375712 ASDIUFUQSRJQPQ-JLHYYAGUSA-N 389.451 4.785 0 40 GJAB CCc1ccccc1N1C[C@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 7928791 CHPRLQKERKVFMS-HXUWFJFHSA-N 385.463 4.875 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)c1C 7929032 AGBZMLDWQPHAPI-NRFANRHFSA-N 385.463 4.929 0 40 GJAB O=C(Cc1noc2ccccc12)N1CCCC[C@@H]1c1nc2ccccc2s1 8074693 ZPTDRWAZKJKWJB-QGZVFWFLSA-N 377.469 4.734 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 8092219 XPDNMZPBIOHIRM-GHRIWEEISA-N 381.815 4.899 0 40 GJAB COc1cc(C)c(NC(=O)c2cccnc2Sc2ccccc2)cc1OC 8328017 XJZCWLVIZYWXDC-UHFFFAOYSA-N 380.469 4.811 0 40 GJAB Cc1nn2c(N)c(-c3ccc(Br)cc3)cnc2c1-c1ccccc1 8569782 XSYPKIWRFJVXPQ-UHFFFAOYSA-N 379.261 4.716 0 40 GJAB CCCc1n[nH]c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 8705985 DDCYULLTKHXKBS-IBGZPJMESA-N 380.517 4.846 0 40 GJAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc3ccccc3cc2OC)c1 8921473 KOCUBFDIBXFRAW-UHFFFAOYSA-N 376.456 4.583 0 40 GJAB O=C(Nc1cccc(Cl)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 9063653 VCYAHPBXWLVKBG-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB Cc1nc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1Br 9192637 VWXNOKHIFYHNCQ-UHFFFAOYSA-N 381.273 4.923 0 40 GJAB Cc1ccc(OCCCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 11205832 AVSUSUAAVOJTKU-UHFFFAOYSA-N 378.428 4.638 0 40 GJAB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1-2)c1ccc(Cl)cc1 11565725 WHQOTTSBZDZCLW-UHFFFAOYSA-N 376.795 4.591 0 40 GJAB CCOc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(C)n1 12225420 YGKYZQJKEILNCT-UHFFFAOYSA-N 382.851 4.833 0 40 GJAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3c(C)c(Cl)ccc3s2)on1 12422345 NCOWWDWWVSGNDH-UHFFFAOYSA-N 387.848 4.995 0 40 GJAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCc1c(C)noc1C 12526794 PFJDZQORHRFUGO-UHFFFAOYSA-N 383.414 4.728 0 40 GJAB O=C1c2ccccc2N[C@H](c2cnn(-c3ccccc3)c2)N1c1ccc(F)cc1 12568098 PCDNEORRKBKAQG-QFIPXVFZSA-N 384.414 4.783 0 40 GJAB Cc1c(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)oc2ccccc12 12589348 BITVWVAKNZVWRZ-UHFFFAOYSA-N 393.361 4.762 0 40 GJAB O=C(/C=C/c1ccc(Br)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12604108 PUGMVCYYFIHKLO-ZPHJMFTNSA-N 396.288 4.702 0 40 GJAB CC[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1ccc(Cl)cc1 12763701 TYHIXIPZYXSVAL-KRWDZBQOSA-N 377.941 4.669 0 40 GJAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1occc1-c1ccccc1 12816125 XQBIQBTWNOIJBC-UHFFFAOYSA-N 388.467 4.503 0 40 GJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Oc2ccc(F)cc2)cc1 12817696 RCLFDCDLVGQKPH-UHFFFAOYSA-N 390.414 4.997 0 40 GJAB O=C(c1cc(Cl)sc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 14228861 WWHYFFUYIPIMTR-QPJJXVBHSA-N 381.328 4.526 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccccc2OC(C)C)sc2c1CCCC2 14664000 LLVPNTZACDMDKI-UHFFFAOYSA-N 387.501 4.843 0 40 GJAB CC(=O)Nc1ccc(NC(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)cc1 16705205 RBKBKRQGHOUACF-ZHACJKMWSA-N 381.432 4.560 0 40 GJAB COc1ccc(CN2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1 19574871 LEYNFJPDGUQLHS-FSPWUOQZSA-N 394.441 4.536 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OC 19934561 RWJOSDPBQUYBCM-SFHVURJKSA-N 399.531 4.734 0 40 GJAB Cc1ccc(Cc2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1C 20196959 ZURVBKGSHJMYBA-UHFFFAOYSA-N 378.457 4.620 0 40 GJAB C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20241972 LPQYWDNCJLPYGJ-SFHVURJKSA-N 396.556 4.963 0 40 GJAB CCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(Cl)cc1 20454187 ZAPJCAUYIOJHSV-OAHLLOKOSA-N 377.937 4.719 0 40 GJAB O=C(c1ccccc1NC(=O)C1(c2ccccc2)CCCC1)N1CCCCC1 22467670 WVZOLXZEKZIPAU-UHFFFAOYSA-N 376.500 4.763 0 40 GJAB Cc1noc(CSc2ccccc2C(=O)Nc2ccc(OC(F)F)cc2)n1 24841043 JCRPWENPPJKIBH-UHFFFAOYSA-N 391.399 4.524 0 40 GJAB CC(=O)Nc1ccc(F)c(NCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c1 26783177 FLXULMHKKZOMCY-UHFFFAOYSA-N 382.435 4.934 0 40 GJAB O=C(NCc1ccccc1)c1cccc(OCc2cc(F)cc3cccnc23)c1 31609124 PMDCNFTXVVYVQA-UHFFFAOYSA-N 386.426 4.883 0 40 GJAB COc1cccc(CN(C)Cc2c(-c3ccccc3)nc3ccccn23)c1OC 32751411 ZBMWQWMCULEBKD-UHFFFAOYSA-N 387.483 4.651 0 40 GJAB Cc1ncc(NC(=O)Cc2ccccc2)n1-c1nc(-c2cccs2)cs1 35682757 WEUUIYCKKJABRC-UHFFFAOYSA-N 380.498 4.547 0 40 GJAB O=C(CN1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccccc1OC(F)F 36392676 WDSMYLSAICKNFT-INIZCTEOSA-N 380.822 4.717 0 40 GJAB O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)[C@@H](CCO)S1 36633823 CPFMZAMZTISOIR-ZWKOTPCHSA-N 399.903 4.507 0 40 GJAB COc1cccc(COCC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 40128535 AKOXZBAHGSIWDZ-UHFFFAOYSA-N 391.423 4.759 0 40 GJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(CN2CCCC2)cc1 44872526 PAHJDPWIXFHTNN-IBGZPJMESA-N 388.511 4.519 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 44933875 UIEFKIYGYCXTTQ-OALUTQOASA-N 380.532 4.808 0 40 GJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(N(C)C)c(F)c3)cc2)n1 58429809 UDZHXTTVBWBEEL-UHFFFAOYSA-N 396.491 4.702 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1Cl 59227194 PRNQQCTWBJKCIJ-LLVKDONJSA-N 397.689 4.947 0 40 GJAB Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 72359341 FNYKUIUFISVSLI-IBGZPJMESA-N 375.447 4.611 0 40 GJAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3cc(C)cc(F)c3)n2)cc1 95962109 JAMMIXBXZVYSMM-CYBMUJFWSA-N 397.475 4.707 0 40 GJAB O=C(Cc1c(F)cccc1Cl)N(CCc1cccs1)Cc1ccoc1 96120667 ZSEUDKLZMBBGRY-UHFFFAOYSA-N 377.868 4.948 0 40 GJAB CN(Cc1ccccc1)C(=O)[C@@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C 100920187 DUXNUQYCIUXCFM-JWQCQUIFSA-N 385.511 4.618 0 40 GJAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C[C@H]4O[C@@H]4C=C[C@H]3[C@@]1(Cl)C2(Cl)Cl 104379188 ZURTYEXVEKFTMO-WRQDIQAASA-N 380.913 4.792 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN(C)c1ccccc1 219355397 LNQLDMVBLVKKNI-QHCPKHFHSA-N 376.500 4.640 0 40 GJAB CC(C)c1ccccc1OCC(=O)NCCSCc1ccc(Cl)cc1 222805172 ASSBPICAYSDXRD-UHFFFAOYSA-N 377.937 4.892 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(CC)cc2)cc1OCC 222891123 ASRPVFJYLZULCN-HXUWFJFHSA-N 385.504 4.520 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 222971657 UTPKTRRMHJKICW-PMACEKPBSA-N 397.515 4.888 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1CSc1ccccc1 224327044 SFSWKRLJXRERKQ-UHFFFAOYSA-N 393.464 4.969 0 40 GJAB COc1cc(C)c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C(C)C 225664900 COJAHTZOWDENRA-DHZHZOJOSA-N 392.543 4.598 0 40 GJAB O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1 226860931 NCJIUCFJXXMVBZ-UHFFFAOYSA-N 387.844 4.506 0 40 GJAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)on1 257254927 KFGWKOARMIBLDO-IBGZPJMESA-N 397.450 4.883 0 40 GJAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccccc1Cl 408628237 RGNVJHSJKWYALY-UHFFFAOYSA-N 393.830 4.869 0 40 GJAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 408681762 SJMKVXGKVRGJJH-GOSISDBHSA-N 394.515 4.772 0 40 GJAB O=C(CCCCCn1cccc1)N1CCC(c2noc3cc(F)ccc23)CC1 604418889 MHTWGGCMJQYJSI-UHFFFAOYSA-N 383.467 4.735 0 40 GJAB Cc1nc(-c2ccccc2NC(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cs1 646391752 OZTPEZHVFYZHOI-OXQOHEQNSA-N 394.500 4.555 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)cc2Cl)cc1 644330 AVHBFIHBLCYSGY-MRXNPFEDSA-N 388.341 4.738 0 40 GJAB c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccco4)=NN23)cc1 949663 OJRRKHCYTNMAJL-QFIPXVFZSA-N 399.494 4.815 0 40 GJAB CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 986193 DKBTXRRQBQLTSR-OAHLLOKOSA-N 386.542 4.575 0 40 GJAB O=C(CSc1ccc(F)cc1)N1CCC(c2nc3ccccc3s2)CC1 1403831 KFTZZLDBWQGNMI-UHFFFAOYSA-N 386.517 4.934 0 40 GJAB O=C(COC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccc1 1433008 JVYMTPZWGWZDBA-SJORKVTESA-N 377.465 4.772 0 40 GJAB CC[C@]1(CCC(C)C)C(=O)N=C(Nc2ccccc2)N(c2ccccc2)C1=O 1752125 PLKSEIPDWSIOCS-QHCPKHFHSA-N 377.488 4.861 0 40 GJAB Cc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1 2096502 KVPKYHHILYPISN-UHFFFAOYSA-N 389.451 4.713 0 40 GJAB biogenic Cc1nn2c(NCCN(C)C)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 2329277 CFAYUIYYWDYSPN-UHFFFAOYSA-N 385.943 4.629 0 40 GJAB CCCCCCn1c(N)c(C(=O)OC[C@@H](C)CC)c2nc3ccccc3nc21 2386825 NLLFDIUEBAOBMB-HNNXBMFYSA-N 382.508 4.950 0 40 GJAB Cc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1C 2919636 QRBZPWVQTKVAAV-ROUUACIJSA-N 383.293 4.804 0 40 GJAB C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@]21CCC(=O)O1 3882030 QZDICFWNRZAVJB-PZCAJWILSA-N 386.532 4.768 0 40 GJAB biogenic COc1ccccc1[C@]1(CCN(Cc2ccco2)C(C)=O)CCO[C@H](C(C)C)C1 4043684 KPOYUKJSTNRRRV-BJKOFHAPSA-N 399.531 4.800 0 40 GJAB biogenic CCc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1CC)OCO3 4849535 AWCOSUMGYJMXOR-UHFFFAOYSA-N 394.496 4.819 0 40 GJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OCC)cc1)C2 4911988 AIEWIVLIIINMRA-KRWDZBQOSA-N 383.488 4.982 0 40 GJAB Cc1cccc(-c2c(NC(=O)Cc3cccs3)n(C)c3ccccc3c2=O)c1 5302137 DHEIORGLXRZHRR-UHFFFAOYSA-N 388.492 4.757 0 40 GJAB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(C)cc1 5587910 NLUPTMFXFJJCCP-DEOSSOPVSA-N 399.450 4.652 0 40 GJAB O=[P@]1(N2CCOCC2)OC(c2ccccc2)=CCN1c1ccc(Cl)cc1 6574906 FPOHWCMZZZQMLW-AREMUKBSSA-N 390.807 4.658 0 40 GJAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NCCc3ccccc3)c12 7004128 JCJGCMWVGYZCMH-UHFFFAOYSA-N 396.494 4.579 0 40 GJAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccccc1Oc1ccccc1 7039217 VAPPACXUXXSSSM-OAQYLSRUSA-N 375.472 4.593 0 40 GJAB COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1 9135263 SKGTUKGNXJETTO-UHFFFAOYSA-N 394.814 4.959 0 40 GJAB CC1=C(C)[C@H](c2c(C)n(C)c3ccccc23)N(Cc2ccc3c(c2)OCO3)C1=O 9668899 CBEIXADUVWNQLN-HSZRJFAPSA-N 388.467 4.635 0 40 GJAB CC(C)c1ccc([C@H](NC(=O)c2ccc(NC(N)=O)cc2)c2cccs2)cc1 9984672 VVBIHKIGRLLAEN-FQEVSTJZSA-N 393.512 4.882 0 40 GJAB Fc1ccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1Cl 12322984 XQGMJOOBCBYBPQ-UHFFFAOYSA-N 379.247 4.890 0 40 GJAB Cc1cccc(C2(O)CCN(C(=O)c3[nH]c4c(Cl)cccc4c3C)CC2)c1 12325321 UQNCPYUOAUEYBT-UHFFFAOYSA-N 382.891 4.562 0 40 GJAB CCN1C[C@H](c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CC1=O 12539325 QIZRBBHXGGBHGL-CYBMUJFWSA-N 388.298 4.727 0 40 GJAB C[C@H]1CCc2ccccc2N1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 12568507 CERCGFWPDYUOIP-SFHVURJKSA-N 394.478 4.916 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1 12986694 IYBWXQZMVMQKMW-UHFFFAOYSA-N 396.878 4.860 0 40 GJAB C=C(OC)c1ccc(-c2ccc(/C=C3/NC(=O)N(c4ccccc4)C3=O)o2)cc1 16189522 KMXKPPLRWCUGRQ-XSFVSMFZSA-N 386.407 4.661 0 40 GJAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)/C(=C/c3cn(C)nc3C)C[C@H]12 17080246 MEPYNTVXLJQGPP-NOEULQIYSA-N 392.543 4.648 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3OCc3ccccn3)cc2)n1 19659969 HNXOGDMPPXWEBT-UHFFFAOYSA-N 398.466 4.715 0 40 GJAB Cc1ccc2nc(N3CCCCC3)c(/C=C3\N=C(c4ccccc4)OC3=O)cc2c1 19848432 VIMYPYKGJIHAMV-JWGURIENSA-N 397.478 4.878 0 40 GJAB Clc1ccc(-c2nc3ccc(Cl)cn3c2CN2CCSCC2)cc1 20366650 NWZOMQXDQMJPGR-UHFFFAOYSA-N 378.328 4.857 0 40 GJAB CCCc1cc(=O)oc2c3c(ccc12)OCN(CCc1ccc(Cl)cc1)C3 20403846 FLDJLUUBADFKGC-UHFFFAOYSA-N 383.875 4.794 0 40 GJAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 20856609 CTKCCICIAHUQGF-AWEZNQCLSA-N 390.483 4.705 0 40 GJAB Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)s1 21423699 JXSCJNLAKPCTSC-HIGJEIRPSA-N 388.529 4.737 0 40 GJAB COc1ccc2c(c1)CCCN2C(=O)c1ccccc1SC[C@@H]1CCCO1 21975810 CCFZMINRBXOBEW-SFHVURJKSA-N 383.513 4.559 0 40 GJAB Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 22514204 XIXUXERUMUJUJE-SFHVURJKSA-N 393.458 4.797 0 40 GJAB COc1ccccc1CC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 22527226 OSDQUZIPRBNRQD-KTVWHRCTSA-N 383.491 4.651 0 40 GJAB CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc(F)cc2)[C@H]1c1ccccc1OC 22699404 IBWSDDWGQQJSTO-SIKLNZKXSA-N 398.478 4.553 0 40 GJAB O=C(c1ccc2c(c1)OCCCO2)N1CCCC[C@H]1c1nc2ccccc2s1 24386646 RHMPEMTZUNWZGK-KRWDZBQOSA-N 394.496 4.825 0 40 GJAB CCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OCC)c(C)c1 28286926 HVEVPOWSJCATAU-UHFFFAOYSA-N 395.459 4.875 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2ccc(SC)cc2)c1[C@@H]1C(=O)Nc2ccccc21 32101982 QCMUNRMEKALFNM-GOSISDBHSA-N 392.480 4.583 0 40 GJAB C[C@@H](NC(=O)c1ccccc1Oc1ccccc1)c1ccc(-n2cncn2)cc1 32738418 MHSQDIURIJZTJN-QGZVFWFLSA-N 384.439 4.551 0 40 GJAB O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 39757238 JPGFMKZSVFVEJQ-UHFFFAOYSA-N 377.315 4.522 0 40 GJAB COc1ccc(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC 44902492 FLQMWUYIXYLXFE-UHFFFAOYSA-N 389.495 4.865 0 40 GJAB COc1ccc(Nc2ccccc2C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 48332633 WBNJYBDHHZGSEL-AWEZNQCLSA-N 378.394 4.853 0 40 GJAB CCOc1ccc(N[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc1CO 56205889 KLTOETSLQLRZQQ-HSZRJFAPSA-N 390.483 4.678 0 40 GJAB C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1c(-c2cccs2)n[nH]c1=S 58430315 ZLNNWEAPTBESTG-QMMMGPOBSA-N 382.873 4.661 0 40 GJAB Cc1c(C(=O)NCc2cc3ccccc3[nH]2)cnn1-c1cccc(C(F)(F)F)c1 58900286 ZHVBUCOYHCICCD-UHFFFAOYSA-N 398.388 4.611 0 40 GJAB CC(C)(Oc1ccc(Br)cc1)C(=O)NC1C2CC3CC(C2)CC1C3 59294091 DURKGVYWNNUPEK-UHFFFAOYSA-N 392.337 4.547 0 40 GJAB CCS[C@@H]1CC[C@H](NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1 72303495 PEYPQVSPDYSGKM-LSDHHAIUSA-N 385.957 4.787 0 40 GJAB Cc1cc(NC(=O)c2csc(-c3cccs3)n2)n(Cc2ccccc2)n1 84104890 YMRVYAJNMLQVJE-UHFFFAOYSA-N 380.498 4.677 0 40 GJAB COCCn1c(C(=O)Nc2cccc(Cl)c2)cc2c1c1ccccc1n2C 96062660 MGXCIQYISZILBU-UHFFFAOYSA-N 381.863 4.685 0 40 GJAB Cc1cccnc1C1(O)[C@H]2CCC[C@H]1CN(Cc1ccc(Cl)c(Cl)c1)C2 100149172 CWENTLVNHHEKEY-IRXDYDNUSA-N 391.342 4.817 0 40 GJAB CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 107722151 NWFTZWRPCZKXKY-UHFFFAOYSA-N 392.480 4.893 0 40 GJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1(c2ccccc2)CCOCC1 178567139 LLXGTODEEMHVLU-UHFFFAOYSA-N 399.903 4.545 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 216469656 KVDHIXNODYQPTH-GOSISDBHSA-N 386.495 4.749 0 40 GJAB CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 219425214 IUTCCOQNPXLQJJ-UHFFFAOYSA-N 396.550 4.910 0 40 GJAB O=C(NCc1cccc2ccccc12)C1CCN(Cc2ccc(F)cc2)CC1 222876776 LJESHVJODJZBQP-UHFFFAOYSA-N 376.475 4.507 0 40 GJAB COc1ccc(-c2nnc(NC(=O)COc3cc(C)ccc3C(C)C)s2)cc1 224482215 YDOFVGNZVQWCNC-UHFFFAOYSA-N 397.500 4.663 0 40 GJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225731110 NSTWCSJPGHITCT-AUSIDOKSSA-N 390.568 4.721 0 40 GJAB CC(C)(Cc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 225817658 PNCMNVKGGJHODW-FQEVSTJZSA-N 384.951 4.690 0 40 GJAB Fc1ccc(C[n+]2cc(Br)cc(-c3nc4ccccc4o3)c2)cc1 226308357 QJSVKELNXOYVSJ-UHFFFAOYSA-N 384.228 4.732 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)n1 257243825 IISGXUJUIZWZNB-QGZVFWFLSA-N 395.890 4.642 0 40 GJAB CCc1cccc(C)c1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 408543895 FXSXRSGKWXZECV-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(OCC(C)C)c(Br)c2)C1=O 408600348 BQBASKHPWTYQRH-OQLLNIDSSA-N 398.322 4.930 0 40 GJAB CC(C)c1nc(C2(NC(=O)Nc3ccc(-c4ccc[nH]4)cc3)CCCC2)no1 543313207 AMBXEGWAFLDHJR-UHFFFAOYSA-N 379.464 4.779 0 40 GJAB O=C(c1nccc2ccsc12)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 585123545 UBPHXJVDYGRXMB-ZDUSSCGKSA-N 381.432 4.596 0 40 GJAB c1ccc(CSCc2nnc3sc(-c4cccc5cccnc45)nn23)cc1 1501040021 WXJHLWMSPQKXOT-UHFFFAOYSA-N 389.509 4.834 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cc(Br)ccc2Br)cc1 1006372 NZDIPZWTVCWDRW-UHFFFAOYSA-N 397.066 4.667 0 40 GJAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3cccs3)C[C@@H]21 1322151 GEGZPNAYWBGVQD-HRAATJIYSA-N 384.501 4.586 0 40 GJAB biogenic CC[C@H]1CCCCN1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 1329525 MBNYGYSQZOFYIB-HNNXBMFYSA-N 380.517 4.508 0 40 GJAB CC(C)(C)OC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2249464 OUURKGOXKYBAFY-UHFFFAOYSA-N 394.862 4.765 0 40 GJAB CC(=O)N1C=CN(C(C)=O)[C@H](c2c[nH]c3ccccc23)[C@H]1c1c[nH]c2ccccc12 2297366 KYAXDNWIUHATAE-DNQXCXABSA-N 398.466 4.613 0 40 GJAB Cc1nc(CSc2nc3ccccc3c(=O)n2-c2ccccc2F)cs1 3469555 NHEZOYSYJBEAGJ-UHFFFAOYSA-N 383.473 4.582 0 40 GJAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2CC)cc1 3501584 DHSZWXPLBNXUKU-HNNXBMFYSA-N 381.501 4.727 0 40 GJAB O=C(c1cccc(C(F)(F)F)c1)N1CCN=C1SCc1cccc(F)c1 4119891 ZFFJVKBZUSDCMI-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB COc1cc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)cc(OC)c1OC 4330951 ORHWQDRXESEOSY-UHFFFAOYSA-N 392.864 4.536 0 40 GJAB CSc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 4517622 AEKUOHQHDSHZDZ-UHFFFAOYSA-N 384.482 4.556 0 40 GJAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C1=O 4648601 OGYDCJFUXPSLAM-FHXOWUIVSA-N 399.468 4.876 0 40 GJAB Cc1ccc(OCCNC(=O)NC2c3ccccc3Oc3ccccc32)cc1C 4694520 VAWPMUJXICWKPC-UHFFFAOYSA-N 388.467 4.877 0 40 GJAB C[C@H]1CC[C@H](C)N(c2ncnc3c2sc2nc4c(cc23)COC(C)(C)C4)C1 4981042 QZBZBJLSWBHMRZ-STQMWFEESA-N 382.533 4.716 0 40 GJAB Cc1cc(C)cc(C[C@@H](C(=O)O)[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 5199509 LRIUCVQDZOCJSG-RDTXWAMCSA-N 393.405 4.840 0 40 GJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccccc2OC)cc1 5256213 PFEXWNWRKVVAMP-JOCHJYFZSA-N 391.471 4.533 0 40 GJAB COc1cc2c(cc1OC)[C@@H](C)N(C(=S)Nc1cccc(Cl)c1C)CC2 5421514 SMPJMVILDRQEJN-CYBMUJFWSA-N 390.936 4.982 0 40 GJAB O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@@H](c2ccc(O)cc2)N1c1ccccc1 5453963 VMDGGUCJGIMQTO-JOCHJYFZSA-N 385.398 4.671 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1CCc1ccccc1 5533047 NDFIYZKIUDHTBA-JOCHJYFZSA-N 381.431 4.581 0 40 GJAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(C)c(CC)nc3ccccc23)cc1 5781973 FNDLJDODRYPISE-MRXNPFEDSA-N 390.483 4.852 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)c1C 5995626 DWXALSKWRXFTRU-UHFFFAOYSA-N 396.874 4.863 0 40 GJAB Cc1ccccc1-c1nnn(CC(=O)Nc2c(C(C)C)cccc2C(C)C)n1 6504866 UVZCIWOUHYYIKG-UHFFFAOYSA-N 377.492 4.534 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 7929429 ARJQUSHKKUUNJV-OAHLLOKOSA-N 385.891 4.986 0 40 GJAB Fc1ccc(-c2cc3ncnc(NCc4ccc5c(c4)OCO5)c3s2)cc1 7986369 XFDBZPNJUBJDBK-UHFFFAOYSA-N 379.416 4.838 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1ccc(Cl)cc1 8496641 NNCSXUMMWZLKJA-QGZVFWFLSA-N 393.936 4.556 0 40 GJAB COc1ccc(CNC(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 8982217 QZJOTCYMZYZCNX-UHFFFAOYSA-N 384.526 4.682 0 40 GJAB COc1cccc2cc(-c3csc(NC(=O)COc4ccccc4)n3)oc12 10748593 JCZHEDMJGJMJIH-UHFFFAOYSA-N 380.425 4.582 0 40 GJAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1Cl 10958892 UEOPYXXPVMKLEQ-UHFFFAOYSA-N 395.768 4.805 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 11082606 NRTFQTSDYFKHCF-UHFFFAOYSA-N 398.510 4.564 0 40 GJAB Cc1ccc(-c2ccccc2CC2(C(=O)N3CCCC3)CCOCC2)c(C)c1 12231562 NTKMPKHXRYOAKU-UHFFFAOYSA-N 377.528 4.932 0 40 GJAB Clc1ccc(COc2ccccc2CNCc2ccc3c(c2)OCO3)cc1 12375525 VKKLEYGRMSSUHU-UHFFFAOYSA-N 381.859 4.938 0 40 GJAB COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)cc1 12420593 QSBVUFURAAUXRB-HNNXBMFYSA-N 397.427 4.735 0 40 GJAB Cc1c(C)c(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)c(C)c1C 12511139 NKJDAPOTGQWNTK-JOCHJYFZSA-N 394.540 4.692 0 40 GJAB Cc1nc2cc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)ccc2n1-c1ccccc1 12596087 IVCDMFOTNBLHFC-QFIPXVFZSA-N 397.434 4.574 0 40 GJAB C[C@H]1CN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C[C@H](C)O1 12596291 BAAFLPMPJFVFOP-KBPBESRZSA-N 378.394 4.698 0 40 GJAB CC(C)n1ncc2cc(C(=O)N[C@H](c3ccccc3)c3cccs3)cnc21 12774275 YYJQXBHWBABHEX-LJQANCHMSA-N 376.485 4.593 0 40 GJAB COc1ccc(OC)c(NC(=O)CSCc2cccc(C(F)(F)F)c2)c1 12930884 MCDOGIBQCAUUAH-UHFFFAOYSA-N 385.407 4.595 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(Cl)cc2)c1 13675921 VOXUGYSAOKNRGO-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB CCn1c(-c2ccco2)nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c1=S 14234386 HIPAFWUKWXHSOX-UHFFFAOYSA-N 396.438 4.802 0 40 GJAB CCS(=O)(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 14804638 IQFQAVBSIZNRFV-UHFFFAOYSA-N 393.464 4.561 0 40 GJAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1cccnc1)CC(O)=N2 15107629 MABILELETHAOHT-OAHLLOKOSA-N 381.432 4.967 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C 20467841 YXCOUXHDFJDDOF-UHFFFAOYSA-N 394.784 4.809 0 40 GJAB CC(C)(C)[C@H]1CCc2nc(NC(=O)COc3cccc(Cl)c3)sc2C1 20897475 DVAKYZRJRAIZEX-LBPRGKRZSA-N 378.925 4.965 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 22523943 JPBYSDHHPIQSHA-FGZHOGPDSA-N 385.504 4.765 0 40 GJAB CCOc1ccc(N2C(=O)S/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1 27229293 KCHKEODUTGPEQF-CPNJWEJPSA-N 399.468 4.734 0 40 GJAB Cc1c(C(=O)N(Cc2ccccc2F)C[C@@H]2CCCO2)oc2ccc(F)cc12 28250963 BAVAWPVFPKLAIS-KRWDZBQOSA-N 385.410 4.841 0 40 GJAB O=C(NCCc1ccc(O)cc1)c1ccc(COc2cccc3ccccc23)o1 28304362 ABDJYVPUFOLPGX-UHFFFAOYSA-N 387.435 4.690 0 40 GJAB Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)[nH]c2c1C(=O)CC(C)(C)C2 30470982 KZWRCNRWHWLYLY-UHFFFAOYSA-N 380.444 4.507 0 40 GJAB COc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 35291779 IIOXYOVDCWKHBS-UHFFFAOYSA-N 384.867 4.636 0 40 GJAB Cc1ccc(-c2cc(C(=O)NCc3nc(-c4ccccc4)cs3)no2)cc1 40324701 YWYAUQQHEFPGAN-UHFFFAOYSA-N 375.453 4.704 0 40 GJAB CN(C)CCN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 71939735 LCWQSYPGUMHBEE-UHFFFAOYSA-N 384.282 4.728 0 40 GJAB O=C(Cc1ccncc1)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72357928 WVWYGUMCMBEBQZ-QFIPXVFZSA-N 391.902 4.627 0 40 GJAB Cc1cc(Br)c2oc(-c3ccc(N)cc3Br)nc2c1 73639327 RMVXCASYKFHETG-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCCc1nc2ccccc2s1 79070656 BTKZLXLRQWWJGK-SFHVURJKSA-N 393.556 4.876 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102274846 VWZXLFVLTHWJTJ-DOEAQHAXSA-N 385.939 4.756 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)C1(c3ccccc3)CCCC1)CC(C)(C)O2 222989858 AZXSZWBNUGGGFH-FQEVSTJZSA-N 379.500 4.926 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1 223611730 GPEXMEXWYGCSOY-QHCPKHFHSA-N 394.559 4.651 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1cc(C)cc(C)c1 224107787 RCCORXGTFHAUFN-QFIPXVFZSA-N 383.532 4.954 0 40 GJAB O=C(NCC1CCCCC1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 224542026 HRLDRTBBLUIUDJ-UHFFFAOYSA-N 383.363 4.902 0 40 GJAB CCCCOCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2)ccc1OCC 224729092 FROAXZQRLHQGCV-UHFFFAOYSA-N 399.487 4.831 0 40 GJAB CCN(CCNC(=O)c1cc(Br)ccc1Cl)c1ccc(C)cc1 225075819 DMQBYGRVCZBGLP-UHFFFAOYSA-N 395.728 4.667 0 40 GJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225826918 KFRHSLBXIMURJR-JOCHJYFZSA-N 393.524 4.965 0 40 GJAB CNc1cccc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257267172 MGFGDLFMLYBHNI-QFIPXVFZSA-N 387.483 4.826 0 40 GJAB COc1c(F)c(F)c(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c(F)c1F 408629154 MKYMKMDQNRTYHZ-LLVKDONJSA-N 396.384 4.883 0 40 GJAB Clc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2-c2ccccc2)cc1 2557541 CCMXYRUJTCJVLP-UHFFFAOYSA-N 398.857 4.835 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Br)cc2F)cc1 2642439 FRVDZQKSTSGESW-UHFFFAOYSA-N 394.240 4.589 0 40 GJAB Cc1ccc(CN2C[C@@H](C(=O)Oc3ccc(-c4ccc(C)cc4)cc3)CC2=O)cc1 3346935 DPSYQRKSHOFTEB-QHCPKHFHSA-N 399.490 4.925 0 40 GJAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4025286 RQZAXGRLVPAYTJ-BZRZIXHKSA-N 384.516 4.575 0 40 GJAB biogenic CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 4262958 QJPAMZCEYZNAMQ-IBGZPJMESA-N 383.879 4.730 0 40 GJAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C(C)C)cc2)n2ncnc2N1 4598081 MWVDJEDZXCTDKA-FQEVSTJZSA-N 380.492 4.566 0 40 GJAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)cc2)cc1 4828848 VHXQCBDSNBJIGN-LADGPHEKSA-N 386.451 4.946 0 40 GJAB CCCCCN(CCCCC)[C@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O 4995019 NFUXTIHBFFHFGD-NRFANRHFSA-N 388.552 4.790 0 40 GJAB COc1cc2c(cc1OC)-c1c(oc3c(CCC(C)C)c(O)ccc3c1=O)CO2 5453867 OIDYJBPICXFSFO-UHFFFAOYSA-N 396.439 4.664 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(F)c(Cl)c1 6378271 GWYOZRVPSLTFPY-UHFFFAOYSA-N 378.234 4.938 0 40 GJAB COC(=O)c1c(NC(=O)Cc2coc3c(C)c(C)ccc23)sc2c1CCCC2 6809915 CTLNEAFHNATIOM-UHFFFAOYSA-N 397.496 4.958 0 40 GJAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccccc1C(F)(F)F 7141105 FVZMGSXSTFOZGQ-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB CCCc1nnc(S/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)O)[nH]1 7342370 LYSNTAKMJFEBJH-LDADJPATSA-N 396.516 4.691 0 40 GJAB C[C@H](NC(=O)CSc1nc(C2CCCC2)n[nH]1)c1ccc2ccccc2c1 8757099 QNFLGGITHSICCZ-AWEZNQCLSA-N 380.517 4.585 0 40 GJAB O=C(CCCc1cccs1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 9865070 VIKGGNGPJSOHIA-HNNXBMFYSA-N 386.542 4.893 0 40 GJAB COc1cccc2cc(/C=C/C(=O)N3CCC(C(=O)c4ccccc4)CC3)oc12 9989796 OOEVGYQUXXPAIJ-ZHACJKMWSA-N 389.451 4.576 0 40 GJAB COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NCCc1ccccc1 12062706 GXPCAPIHAGFRIB-BUHFOSPRSA-N 398.399 4.611 0 40 GJAB O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12581534 BUMYEHKQARCGCL-LJQANCHMSA-N 388.496 4.593 0 40 GJAB COc1ccc2oc(C(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)c(C)c2c1 12602437 DIRKWMGCLLFNIL-HNNXBMFYSA-N 389.455 4.646 0 40 GJAB O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19292799 DJNOBYJDSWWGSD-GOSISDBHSA-N 384.842 4.632 0 40 GJAB CCN(C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3ccccc3)CC2)C1 19712739 GHWSNQCZFWAWGN-GOTSBHOMSA-N 392.543 4.533 0 40 GJAB COc1cccc([C@@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1OC 19927092 DINIGNLJENMPFT-KRWDZBQOSA-N 383.391 4.501 0 40 GJAB CC1CCN(Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)CC1 20451173 JVNMELXZKDRFDS-UHFFFAOYSA-N 387.321 4.933 0 40 GJAB O=C1c2ccccc2-c2cc(N3CCN(c4ccccc4)CC3)nc3cccc1c23 20622492 QAVRIUGVSKYGTG-UHFFFAOYSA-N 391.474 4.773 0 40 GJAB O=C(COc1ccc(Br)cc1Cl)Nc1cccc2ncccc12 23123989 YKHKFHFTRIUORF-UHFFFAOYSA-N 391.652 4.668 0 40 GJAB CCc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1CC 23289113 ZBGNYGDTGRIDKM-UHFFFAOYSA-N 396.541 4.782 0 40 GJAB O=C(C1CCN(Cn2c(=S)sc3ccccc32)CC1)N1CCCCCC1 24082755 AUBXJLFNSWPJHG-UHFFFAOYSA-N 389.590 4.504 0 40 GJAB CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1C 27989985 JHOZVGWGOQQVTE-UHFFFAOYSA-N 395.390 4.890 0 40 GJAB CN(Cc1cccs1)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 31347867 VEXAHNGJFOOWLW-UHFFFAOYSA-N 399.825 4.878 0 40 GJAB Cc1cccnc1NC(=O)c1ccc(COc2ccc(Br)cc2)o1 40143969 IYRYZTHSBLINTB-UHFFFAOYSA-N 387.233 4.577 0 40 GJAB O=C(Nc1cccc(Oc2ncccn2)c1)c1cc(-c2cccc(Cl)c2)on1 54287547 UOCDFBBLJDQKFC-UHFFFAOYSA-N 392.802 4.830 0 40 GJAB Cn1cccc1[C@@H]1CCCN1[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 57286343 SHTVCSQULVJSJJ-VXKWHMMOSA-N 377.463 4.681 0 40 GJAB COc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1Oc1ccccc1 58165246 WJYTWBIDZCMXIR-KRWDZBQOSA-N 376.456 4.777 0 40 GJAB CCN(CC)CCOc1ccccc1NC(=O)N(Cc1ccccc1)C(C)C 58324366 IFNIWHZGBQSJQD-UHFFFAOYSA-N 383.536 4.850 0 40 GJAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OC[C@H]2CCCO2)cc1 59417101 JWRWMKXKCMQQRV-MRXNPFEDSA-N 395.377 4.524 0 40 GJAB O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 71817384 MDDSPLNXNACHSB-ZIAGYGMSSA-N 389.402 4.966 0 40 GJAB COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2Cc2ccc(F)cc2)c1 72376767 YBBDRYUFUBPLKB-NRFANRHFSA-N 392.478 4.601 0 40 GJAB COc1ccc(-c2nc(C)sc2C(=O)Nc2c(C)nn(C(C)C)c2C)cc1 72405352 FIYSEVDYTLFEIN-UHFFFAOYSA-N 384.505 4.774 0 40 GJAB Cc1ccc(-n2c(C)nnc2SCc2cc(=O)oc3cc(C)ccc23)cc1 89643095 BFSZQORTTKYTNI-UHFFFAOYSA-N 377.469 4.591 0 40 GJAB CC(C)n1ccc2ccc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc21 95475113 MXYPUIQOHNRKHV-UHFFFAOYSA-N 396.918 4.999 0 40 GJAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCCN1c1nc2ccccc2o1 96122556 BCYYEMPRJGQARQ-HNNXBMFYSA-N 393.340 4.593 0 40 GJAB Cc1ccc(C2=C[C@@H](c3ccc(OCc4ccccc4)cc3)n3nnnc3N2)cc1 101229490 FIBVDJOVVUHOIC-QHCPKHFHSA-N 395.466 4.617 0 40 GJAB O=C(CSc1nc2ccccc2s1)NCc1cncc(-c2ccsc2)c1 206947317 XTAQDWWJWXRRFE-UHFFFAOYSA-N 397.550 4.828 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccccc1Cl 219060271 NOQMCIHJRWMFLC-GUYCJALGSA-N 389.879 4.535 0 40 GJAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc(OC)c(OC)c1 219299784 ATYHUMZZQGZZKU-LPHOPBHVSA-N 385.504 4.862 0 40 GJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1ccccc1Cl 220021629 CPFAVFGOMUROSO-UHFFFAOYSA-N 390.270 4.635 0 40 GJAB COc1ccc(-c2cc(C)nc(S[C@@H]3C(=O)[C@H]4CC[C@@]3(C)C4(C)C)n2)cc1 221828248 TYYQZGMUYLJLMG-ZWDAVXSWSA-N 382.529 4.947 0 40 GJAB COc1ccccc1Oc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cn1 223959267 HKBCQJKINKZUFK-HNNXBMFYSA-N 379.485 4.930 0 40 GJAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1OC 224242178 YQTRBJFALPKITC-UHFFFAOYSA-N 399.393 4.813 0 40 GJAB C[C@@H](NC(=S)Nc1ccc(Oc2ccccc2)nn1)c1ccc(Cl)cc1 225189318 DUKUIHCVYPTBRP-CYBMUJFWSA-N 384.892 4.970 0 40 GJAB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C(=O)OC 225823222 BQAUDJUIRNQQJT-UHFFFAOYSA-N 393.524 4.678 0 40 GJAB CCOc1cc(C)c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OCC 260781539 SYEHOGWYUVUIQA-IPHXSNPTSA-N 397.544 4.777 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 408585647 HSBXBTNQIYQZMI-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB CCCSc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2s1 408750720 QWINTMHSHSQOFJ-QWHCGFSZSA-N 378.519 4.628 0 40 GJAB CCOC(=O)C1=CNc2c(-c3ccc(Cl)cc3)c(C)nn2[C@H]1c1ccccc1 409025982 CRUCSFLJCUMICC-FQEVSTJZSA-N 393.874 4.974 0 40 GJAB Cc1ccccc1CSCCNS(=O)(=O)c1cc(Cl)ccc1Cl 409028477 NOHISCOVDBARGG-UHFFFAOYSA-N 390.357 4.514 0 40 GJAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1Cc1cccc(Br)c1 409163224 NVLJLIVPIIMNTI-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB O=C1S/C(=C\c2ccc(F)c(Br)c2)C(=O)N1c1ccccc1 409303924 OWVHPNPDGSIAPM-ZROIWOOFSA-N 378.222 4.829 0 40 GJAB CC(C)Sc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccccc2)C2CC2)cc1 565587324 NYGTVGQXHGVIMM-KRWDZBQOSA-N 396.556 4.556 0 40 GJAB O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618254496 AKOSVOFXKJJVOJ-NRFANRHFSA-N 395.462 4.590 0 40 GJAB O=C(NCC[C@H]1CCc2ccccc21)c1ccc(Nc2nccs2)cc1F 1641737852 RGQMISNNFHIPDH-OAHLLOKOSA-N 381.476 4.876 0 40 GJAB CCCCCCc1cc2cc(-c3nc(=O)c4ccccc4[nH]3)c(=O)oc2cc1O 1889258622 FFQPPRZHGCQZKE-UHFFFAOYSA-N 390.439 4.525 0 40 GJAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cc(Cl)cc(Cl)c1 848228 IGPURYWPPDIZBO-UHFFFAOYSA-N 398.246 4.913 0 40 GJAB CC(C)CN1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1 850730 FADCHELRHXUPDF-CYBMUJFWSA-N 387.958 4.658 0 40 GJAB CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(C(=O)NCc2ccccc2)nn1-c1ccccc1 1317985 WXQYVBSPRKJFIZ-CLOONOSVSA-N 385.511 4.977 0 40 GJAB Cc1cccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1 1946432 BKDQHCFDVHIZCO-UHFFFAOYSA-N 381.646 4.738 0 40 GJAB COc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 2344429 KDTKRGLKFSUOIG-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB COc1cc(C)c(NC(=O)COc2ccccc2Cc2ccccc2)cc1OC 2617060 CIGGNVKTXWINJB-UHFFFAOYSA-N 391.467 4.621 0 40 GJAB CC[C@@H](C(=O)NCC(C)(C)CNC(=O)[C@H](CC)c1ccccc1)c1ccccc1 2774308 YFOSGPVEFATTDF-FGZHOGPDSA-N 394.559 4.633 0 40 GJAB O=C(CSc1nnc(-c2cccs2)o1)Nc1cc(Cl)ccc1Cl 3475071 OFIVKXBYTGKKEN-UHFFFAOYSA-N 386.285 4.836 0 40 GJAB Cc1cccc(Oc2ccc(N[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2)c1 3476778 QDDXHYHRZIIYRV-INIZCTEOSA-N 390.439 4.955 0 40 GJAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Nc1ccc(Cl)cc1 4033224 LLUGLKBKELOIPJ-UHFFFAOYSA-N 393.834 4.702 0 40 GJAB CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 4036335 MCRXOYXOGHSKMY-UHFFFAOYSA-N 395.509 4.722 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(Cc3ccccc3)c(C)[nH]2)c1 4492344 ZBGCSSWBMXEPHV-MRXNPFEDSA-N 393.512 4.631 0 40 GJAB COc1cccc(C2=N/C(=C\c3ccccc3OCc3ccc(C)cc3)C(=O)O2)c1 4592763 KNJLDZXDWXAWGH-JCMHNJIXSA-N 399.446 4.927 0 40 GJAB CN(C)c1ccc(NC(=O)c2cc(Br)ccc2Br)cc1 4631033 MYEBOZJJBQEORJ-UHFFFAOYSA-N 398.098 4.530 0 40 GJAB O=C(c1ccc(Cl)cc1)N(CCN1CCCC1)c1nc2ccccc2s1 4968549 PWZPKDXJNTWDFZ-UHFFFAOYSA-N 385.920 4.692 0 40 GJAB O=C(CCC1CCCC1)Nc1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 5000925 GWUBUEFSRJOQDC-UHFFFAOYSA-N 392.421 4.824 0 40 GJAB COc1ccc(-c2c(NC(=O)CC(C)C)oc3c(C)cccc3c2=O)cc1OC 5451252 NQLCYRFOEGQMHS-UHFFFAOYSA-N 395.455 4.770 0 40 GJAB COc1cccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)c1 5451994 UKEBPWZLQBDPIV-UHFFFAOYSA-N 391.471 4.720 0 40 GJAB Brc1ccc(C2=NN=C3Nc4c(ccc5ccccc45)N3C2)cc1 5590265 HCDDXZWFMYLASR-UHFFFAOYSA-N 377.245 4.608 0 40 GJAB CC(C)c1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1 6307524 LXBUHYWMWUBSBY-UHFFFAOYSA-N 380.469 4.957 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2Br)cc1OCC 6309191 RDDMMQQDUXGFFQ-ZDUSSCGKSA-N 392.293 4.738 0 40 GJAB COc1ccc(Nc2nnc(SCCOc3ccccc3F)s2)cc1 6389064 DQJMTTNEUKUMCK-UHFFFAOYSA-N 377.466 4.601 0 40 GJAB COc1ccccc1CNc1nc2ccccc2c2nc(-c3ccccc3)nn12 6805395 XCXSGFFXYBVUEV-UHFFFAOYSA-N 381.439 4.565 0 40 GJAB COc1cc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)cc(OC)c1 7969790 LMKJATCGNXTJJE-UHFFFAOYSA-N 393.867 4.653 0 40 GJAB O=S1(=O)N=C(SCc2ccccc2)N(Cc2ccccc2)c2ccccc21 8024199 SEGPKGXMFOHNFQ-UHFFFAOYSA-N 394.521 4.685 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCC[C@@H]2c2cccs2)cc1 8036745 SAORPMSRLCFXAZ-HXUWFJFHSA-N 396.512 4.838 0 40 GJAB CCOc1cc(CNC2CC2)cc(Br)c1OCc1ccccc1 8254039 OYSGGBLQYIHHTB-UHFFFAOYSA-N 376.294 4.679 0 40 GJAB C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1 10219590 HOVULYZGDJFOLT-INIZCTEOSA-N 386.430 4.564 0 40 GJAB O=C(COc1ccc(Br)cc1Cl)N[C@@H](c1ccccc1)C1CC1 11215466 NWJPELNOFJBXBB-SFHVURJKSA-N 394.696 4.749 0 40 GJAB Cc1noc(C)c1-c1nc(NCc2cccc(F)c2)ncc1-c1ccncc1 12233192 LIIRCCLSDHHMCZ-UHFFFAOYSA-N 375.407 4.562 0 40 GJAB COc1ccc(CCNc2ncc(-c3cc(C)no3)c(-c3ccoc3C)n2)cc1 12251494 OUMXANFPWUITNZ-UHFFFAOYSA-N 390.443 4.672 0 40 GJAB Cc1ccc(CSc2nccn(-c3ccc(Br)cc3)c2=O)cc1 12361024 LSESIYJQTZPOSP-UHFFFAOYSA-N 387.302 4.596 0 40 GJAB Clc1ccc(OCc2nn3c(-c4cccs4)nnc3s2)c(Cl)c1 12653730 FQMYNXCYYHYMOZ-UHFFFAOYSA-N 383.285 4.800 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Br)cc1 12901531 PIVMMCSJQMQSBM-NSHDSACASA-N 375.291 4.892 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 13671279 CFGGAGSAWKBORS-SFHVURJKSA-N 383.532 4.899 0 40 GJAB Cc1ccc(Nc2nc(COC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)cs2)cc1 16698904 ZULMCNHHEUPNND-XYPWUTKMSA-N 384.501 4.634 0 40 GJAB O=C(Nc1cccc(Cl)c1)Nc1nnc(COc2ccccc2F)s1 17056763 LPPHWFQITCDVEU-UHFFFAOYSA-N 378.816 4.554 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)N2CCCC2)cc1 18184309 UXSFBARSCLGEJG-LJQANCHMSA-N 393.314 4.569 0 40 GJAB Fc1ccc(-c2nnc(CSc3nnc(-c4ccc(Cl)cc4)o3)o2)cc1 19928738 UXBYDFKJVUNSMB-UHFFFAOYSA-N 388.811 4.871 0 40 GJAB CC[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccccc1 20451766 CPXYOPHVLZNGTP-KRWDZBQOSA-N 376.294 4.712 0 40 GJAB Cc1csc(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 21335045 WQPJTMCXICJTFI-UHFFFAOYSA-N 378.906 4.773 0 40 GJAB C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)c1ccc(Cl)cc1 24141062 NPVJUDDNWFPZEW-SECBINFHSA-N 385.798 4.765 0 40 GJAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)cnc21 24716224 LOEOWLZTPCWVGT-LLVKDONJSA-N 377.275 4.810 0 40 GJAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(OCc2ccccc2)c1 25689886 LGXCKPWANPBTTH-UHFFFAOYSA-N 386.451 4.645 0 40 GJAB O=S(=O)(c1ccc(F)cc1)N(Cc1cccc2cccnc12)c1ccccc1 25806675 VNPJUNSPHMOFEA-UHFFFAOYSA-N 392.455 4.769 0 40 GJAB CC(C)COc1ccc(-c2nonc2NC(=O)Cc2ccc(Cl)cc2)cc1 27664096 WHVXTWRPBMZGMY-UHFFFAOYSA-N 385.851 4.606 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn(Cc2ccccc2)n1 28247124 SFDMYTHSULWIDC-CYBMUJFWSA-N 390.270 4.644 0 40 GJAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)C(c1ccccc1)c1ccccc1 28303722 RZCMXIVZGKPPBB-UHFFFAOYSA-N 385.442 4.841 0 40 GJAB CCOc1ccccc1-c1noc(CSCc2nc3ccccc3nc2C)n1 32778720 HSLKJRKJRHOJAO-UHFFFAOYSA-N 392.484 4.820 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2)cc1OCC 33787871 IIPJQJAHFSZEML-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 35073290 MUZJPFBLOFZGSM-MQIPJXDCSA-N 390.940 4.526 0 40 GJAB COc1cc([C@@H](C)NC(=O)Nc2ccn(-c3ccccc3)n2)ccc1OC(C)C 36396002 MEJRLSRLFJFQDU-MRXNPFEDSA-N 394.475 4.551 0 40 GJAB C[C@@H](NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1)c1ccccn1 36802644 DHVNYBWNOUAQBC-MRXNPFEDSA-N 388.496 4.513 0 40 GJAB O=C(c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1)N1CCCCCC1 38501046 DHBIAAIITNQFQM-UHFFFAOYSA-N 393.462 4.607 0 40 GJAB Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCC(C)CC3)o2)cc1 39843959 XDYVBBAUPGQCRY-UHFFFAOYSA-N 396.512 4.719 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2OC(F)(F)F)cc1 40104289 NFHDJFBFGOSSBG-INIZCTEOSA-N 380.366 4.963 0 40 GJAB COc1cc([C@@H](C)NC(=O)c2oc3c(c2C)C(=O)CCC3)ccc1OCC(C)C 40133671 WKFOXYBZLIGRAC-OAHLLOKOSA-N 399.487 4.641 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2ccc(O)cc2)CC1 48354401 KAXMMSJZKFRMBD-CYBMUJFWSA-N 394.298 4.873 0 40 GJAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2cccc(Br)c2)C1 49547155 DOXCGMXAGGYEFM-MRXNPFEDSA-N 382.261 4.818 0 40 GJAB Cc1noc(C2CCN(C(=O)c3ccccc3Nc3cccc(C)c3C)CC2)n1 54135619 KXPRPWSWMBLAOO-UHFFFAOYSA-N 390.487 4.758 0 40 GJAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1[nH]c2ccc(F)cc2c1Cl 58356572 IHVKBKYSVPOQBT-GOSISDBHSA-N 385.870 4.527 0 40 GJAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1c(F)cc(F)cc1F 72305113 YARDGVKJBMIEEV-UHFFFAOYSA-N 387.386 4.661 0 40 GJAB COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)Cc3ccccc3)n2)c1 72357746 LZSRHNLTBIKPSN-DEOSSOPVSA-N 386.495 4.587 0 40 GJAB CCCOC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 85397242 UQVHIHVUJNUPGI-KPKJPENVSA-N 375.262 4.995 0 40 GJAB CC(C)(C)OC(=O)N1CCCC[C@]12CCCN(C(=O)OCc1ccccc1)C2 91302694 OHZOZEKHPDMFPL-JOCHJYFZSA-N 388.508 4.579 0 40 GJAB in-vitro O=C(NC1CCCCC1)c1cnc(-c2noc3cc(N4CCCC4)ccc23)s1 96154559 JMQPSLNFRRXITE-UHFFFAOYSA-N 396.516 4.614 0 40 GJAB CC(C)(C)OC(=O)N1CC[C@@]2(CCc3c(OCc4ccccc4)cccc3O2)C1 96319636 SPHYFRKZMYGMLC-DEOSSOPVSA-N 395.499 4.970 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 170569260 QTMMAQONHAHRFQ-UHFFFAOYSA-N 382.851 4.751 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cccc(Cl)c1 219292562 CXNWASNTRXFGTR-FZKQIMNGSA-N 389.879 4.535 0 40 GJAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCc1ccc(Cl)cc1 219455697 QCLQLIMVFZNOIF-UHFFFAOYSA-N 378.859 4.550 0 40 GJAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223076966 HGRJNYMOASONFY-FQEVSTJZSA-N 377.937 4.790 0 40 GJAB Cc1ccc(OCCNC(=O)COc2ccccc2C(C)(C)C)cc1Cl 224183217 XCBSEZBIDOOQQH-UHFFFAOYSA-N 375.896 4.520 0 40 GJAB CCOc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1 224863575 OAJMNOUNFCTXND-OAHLLOKOSA-N 382.435 4.689 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NCCCc2ccc(Cl)cc2)c1C 225544724 KWZBBZGPQQUPKG-UHFFFAOYSA-N 390.936 4.744 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2N)cc1Cl 226349882 YTGXQDRJISPLEW-UHFFFAOYSA-N 390.064 4.599 0 40 GJAB COc1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 408902417 NJYXYLZTSXGPST-XMHGGMMESA-N 376.437 4.727 0 40 GJAB O=C(N[C@@H]1CCc2c(O)cccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 524446851 FNWXKJNJBAIEAF-CQSZACIVSA-N 389.295 4.847 0 40 GJAB Cc1ccc(C)c2nc3sc(C(=O)Nc4ccc5c(c4)OCO5)c(N)c3cc12 1342980 QMZOSMZDFYFVFO-UHFFFAOYSA-N 391.452 4.630 0 40 GJAB COc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2cccc4ccccc24)S3)cc1 1473489 ABBSVTUEQJCTOT-LJQANCHMSA-N 387.464 4.984 0 40 GJAB Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2C[C@H]3CC[C@H](C2)N3C)c1 2490085 PYLSWXYTNIMYDR-DHIUTWEWSA-N 376.544 4.614 0 40 GJAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(SC)ccc2Cl)cc1 3245848 UQEKLXJLOPTUFR-GFCCVEGCSA-N 377.893 4.808 0 40 GJAB Cc1ccc(NC(=O)[C@H](Sc2nnc(N)s2)c2ccccc2)cc1Cl 3311308 UXQMIUKBNCBEBR-CQSZACIVSA-N 390.921 4.554 0 40 GJAB COc1cc(CN(C)C(=S)Nc2cc(C)ccc2C)ccc1OC(F)F 3383861 PEXFOHVZBKVWEM-UHFFFAOYSA-N 380.460 4.742 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc(C)oc1C)c1ccccc1 3393889 ARFQPWBTZDLRGW-NRFANRHFSA-N 393.439 4.832 0 40 GJAB Cc1cc(SCC(=O)OCC(=O)c2ccccc2)c(C)cc1Br 3529986 ODLIUSTUSDFWOF-UHFFFAOYSA-N 393.302 4.584 0 40 GJAB COc1ccc(Cc2noc(-c3cc(-c4ccncc4)nc4ccccc34)n2)cc1 3583767 PNUAYGJBYKOYQS-UHFFFAOYSA-N 394.434 4.946 0 40 GJAB Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1cccs1 4036389 WZNVRQOYBMQWKT-UHFFFAOYSA-N 387.511 4.529 0 40 GJAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@H](C)c3ccccc3)c(C)c12 4089249 RSICRQUHSZVYEN-MRXNPFEDSA-N 389.451 4.884 0 40 GJAB biogenic CC(C)(C)c1ccc(C2=N/C(=C\c3cc4c(cc3Cl)OCO4)C(=O)O2)cc1 4749072 RBYGLEFRCLXHCP-PXNMLYILSA-N 383.831 4.711 0 40 GJAB Cc1cc(CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)no1 5260320 SLPZOHOYKFEZGP-UHFFFAOYSA-N 380.448 4.586 0 40 GJAB Cc1nn2c(-c3ccccc3NC(=O)Nc3ccccc3)nnc2c2ccccc12 5269190 XYTVJZKUCNTOKV-UHFFFAOYSA-N 394.438 4.897 0 40 GJAB COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 5678042 LPLPSDBUNLWELG-NTUHNPAUSA-N 391.254 4.865 0 40 GJAB Cc1c(C(=O)OCCOc2ccccc2F)oc2ccc(Br)cc12 5936388 RZYSWWGBCXXUHT-UHFFFAOYSA-N 393.208 4.879 0 40 GJAB CCc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 6056857 NVVIKANLUSIFSJ-GFCCVEGCSA-N 396.270 4.505 0 40 GJAB Cc1ccc2c(COC(=O)/C=C/c3cccc(Br)c3)cc(=O)oc2c1 6504144 YRVYOCAEOJEBCN-SOFGYWHQSA-N 399.240 4.621 0 40 GJAB CCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 7036861 AQHINWMSPVGARO-UHFFFAOYSA-N 377.469 4.510 0 40 GJAB Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccccc2)cc1 7128327 FRZRFXMZBBEABS-UHFFFAOYSA-N 377.513 4.562 0 40 GJAB O=C(O)/C(=C/c1cc(Cl)cc(Cl)c1O)Sc1nc2ccccc2[nH]1 7342820 VGRLOPJIUYPCOZ-MLPAPPSSSA-N 381.240 4.793 0 40 GJAB COc1ccc(-c2nnc(SCc3nnc(C)o3)n2[C@H]2CCCC[C@H]2C)cc1 7432863 YEGLYRXKCMPUFU-DYVFJYSZSA-N 399.520 4.689 0 40 GJAB COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(Cl)nc1 7538143 WKICINQQCMCJBC-UHFFFAOYSA-N 382.891 4.921 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2C)cc1OC 7609694 CRTUVXPZVHLYQG-UHFFFAOYSA-N 378.266 4.807 0 40 GJAB CN(Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)Cc1ccccc1F 7900912 UXLKFOCAMLTECV-UHFFFAOYSA-N 397.450 4.562 0 40 GJAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 8116199 STUAARUVUIRCLJ-LZYBPNLTSA-N 377.824 4.724 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(C)cc1 8496916 VPUUXJHYFQVNLS-IBGZPJMESA-N 377.937 4.855 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 8750323 YUIVJMVRLMRPNE-UHFFFAOYSA-N 392.789 4.853 0 40 GJAB CCOc1cccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 9062764 XEULIBZIOIWCSC-UHFFFAOYSA-N 390.886 4.729 0 40 GJAB CCN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2Oc2ccccc21 9134612 WAWNIMPXVCOKBV-UHFFFAOYSA-N 378.453 4.702 0 40 GJAB c1ccc(CNc2nnc(SCc3ccc(-n4cccn4)cc3)s2)cc1 9217267 UYOQMWFFTIYZII-UHFFFAOYSA-N 379.514 4.628 0 40 GJAB O=C1S/C(=C/c2coc3ccccc3c2=O)C(=O)N1Cc1ccc(Cl)cc1 9235418 BIKIGRVGHASWQK-RQZCQDPDSA-N 397.839 4.683 0 40 GJAB C[C@H](c1ccccc1)N(C)C(=O)NCCCCCc1nc(-c2cccs2)no1 9460307 ZTPCAGDAJYFUDL-MRXNPFEDSA-N 398.532 4.914 0 40 GJAB CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1C 9517155 NNOPNTJRZFYJOW-OAQYLSRUSA-N 378.863 4.532 0 40 GJAB O=C(CSC1=Nc2cccnc2Nc2ccccc21)Nc1ccc(F)cc1F 9854354 YLDPSFRLRVRRPJ-UHFFFAOYSA-N 396.422 4.867 0 40 GJAB COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C)cc1Br 11573113 ASMMIMOQDFEGJZ-UHFFFAOYSA-N 389.293 4.619 0 40 GJAB O=C(O)c1cc(-c2ccc(F)cc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 12396062 NTBFYDUCZRZGFQ-UHFFFAOYSA-N 391.377 4.941 0 40 GJAB CN(Cc1ccsc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 12972441 GPEXDFUAFRKPHC-UHFFFAOYSA-N 383.498 4.959 0 40 GJAB CCOc1c(Cl)cc(C(=O)N(C)Cc2nc3ccccc3s2)cc1OC 12997136 BOVSNNBLJCIOEM-UHFFFAOYSA-N 390.892 4.629 0 40 GJAB Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)Nc2ccc(C)cc2C)c(C)c1 13562380 ULDQHPQNJAAZIP-YDLSIGKMSA-N 388.511 4.936 0 40 GJAB O=C(c1ccccc1CCc1ccccc1)N1CCN(c2ccccc2F)CC1 13688289 LPHSDEACBAKURH-UHFFFAOYSA-N 388.486 4.573 0 40 GJAB COc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 14179800 WBXILYGMCOVYAT-UHFFFAOYSA-N 377.375 4.598 0 40 GJAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C(C)(C)C)cc1 15859689 JDGBSQIYXSPADN-NRFANRHFSA-N 391.515 4.672 0 40 GJAB CC(=O)N1CCc2sccc2[C@@H]1c1ccc(NC(=O)c2ccccc2F)cc1 19018112 IFWIVFBRZQZCCS-NRFANRHFSA-N 394.471 4.634 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1Cl 20109068 SMCLISGBEXDTTK-SFHVURJKSA-N 389.879 4.930 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1Cl 20494647 PPLWAWJEBZUGFK-LLVKDONJSA-N 382.243 4.576 0 40 GJAB COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl 21798085 WKERKQHNZCTQLE-UHFFFAOYSA-N 378.863 4.799 0 40 GJAB Clc1ccc(-c2csc3ncnc(Sc4nc5ncccn5n4)c23)cc1 22089269 YXIAYDOBYMIWOC-UHFFFAOYSA-N 396.888 4.601 0 40 GJAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)c(Cl)c3)c12 27800986 VLWJQKZZJVUEOG-UHFFFAOYSA-N 384.798 4.582 0 40 GJAB Cc1cc(C(=O)Nc2ccc(-n3nc(C)c(Br)c3C)cc2)c(C)o1 27924709 TUPKPBMRBWRXOG-UHFFFAOYSA-N 388.265 4.714 0 40 GJAB O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 30835916 RAVABGJRVOVNKO-UHFFFAOYSA-N 387.460 4.872 0 40 GJAB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(OCc2cscn2)cc1 31033457 GZCAGPXVAGHWHH-UHFFFAOYSA-N 394.374 4.873 0 40 GJAB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3ccc(F)cc3F)c(N)c12 32117772 XNNIUCTYKUKPAX-UHFFFAOYSA-N 387.333 4.736 0 40 GJAB O=C(CSCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc2c(c1)CCC2 32779107 VBTMZGPCIHSISE-UHFFFAOYSA-N 399.903 4.751 0 40 GJAB O=C(Nc1ccccc1SCC(F)(F)F)c1cc(Cl)c2c(c1)OCO2 32900580 KSFOYHHQLRAZSX-UHFFFAOYSA-N 389.782 4.975 0 40 GJAB CCc1cccc(NC(=O)CSc2nc(-c3ccco3)nc(C)c2C(C)=O)c1 32902145 BVYOKFUYJLKRFT-UHFFFAOYSA-N 395.484 4.541 0 40 GJAB CSc1ccc(Cc2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)o2)cc1 35588361 GJYVKWAFBBNCIP-UHFFFAOYSA-N 383.517 4.537 0 40 GJAB O=C(c1ccccc1)N1N=C(c2ccsc2)C[C@H]1c1ccc2nccnc2c1 40285459 FHZYHRCBYAHJJB-NRFANRHFSA-N 384.464 4.683 0 40 GJAB Cc1cc(C)cc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c1 45630375 SRKRKGKAFWWFOO-UHFFFAOYSA-N 385.529 4.645 0 40 GJAB COc1ccc(CNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)cc1 57761926 OTQJTJDNPHRCSO-UHFFFAOYSA-N 391.862 4.808 0 40 GJAB Cc1sc(CNC(=O)c2n[nH]c3ccccc23)nc1-c1ccc(Cl)cc1 59996425 MUJVQNBEJWAMNA-UHFFFAOYSA-N 382.876 4.578 0 40 GJAB COc1cccc(NC(=O)N2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)c1 60358473 NUPOBJCOLCJFOL-LJQANCHMSA-N 398.503 4.732 0 40 GJAB COc1cccc(CSc2nc3ccccc3c(=O)n2Cc2cccs2)c1 67259498 KBJJTMKZWHRRDO-UHFFFAOYSA-N 394.521 4.807 0 40 GJAB Cc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c1 67297801 UAPXVPRCHNEYFO-BZZOAKBMSA-N 385.423 4.635 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSCC(=O)Nc1cc(Cl)ccc1C 68933191 QGIZHTACOWYAEP-UHFFFAOYSA-N 397.327 4.921 0 40 GJAB O=C(CCCc1ccccc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635411 HHJVELOXHFYQOS-LJQANCHMSA-N 377.406 4.628 0 40 GJAB CCOc1cccc2cc([C@H](C)NC(=O)c3ccc4c(c3)CCCC(=O)N4)oc12 84810975 OIYVSFYLLBQVLO-AWEZNQCLSA-N 392.455 4.597 0 40 GJAB O=C(NCc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1COc2ccccc2O1 96346712 JIYDRRHKAWORNE-OAQYLSRUSA-N 395.842 4.589 0 40 GJAB CCc1ccc(-c2nc3ccc(NS(=O)(=O)c4ccccc4)cc3o2)cc1 98086918 QHPRDJQJMYCGJY-UHFFFAOYSA-N 378.453 4.858 0 40 GJAB CC1=Nc2ccccc2N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C(=O)C1 100814857 QJMLIWOWMYNYQQ-SFHVURJKSA-N 397.478 4.685 0 40 GJAB Fc1ccc(C2=C[C@@H](c3ccc(F)c(F)c3)n3nc(C(F)(F)F)nc3N2)cc1 102351516 VLVXOOUELOIUBL-HNNXBMFYSA-N 396.294 4.770 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1Cl 222969228 WVCRZPAXQQCBRC-SFHVURJKSA-N 389.879 4.930 0 40 GJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 224193362 VWIFFWSYGCUEQQ-RTWAWAEBSA-N 376.529 4.950 0 40 GJAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccccc1OC 224239747 KZNDNMYBMOPPTA-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB COc1cccc(OCc2cc(C(=O)Nc3cccc(F)c3)ccc2OC)c1 224252372 QWBNDJRDEFIDOB-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 224884369 SRDFQPVQEKZCRH-UHFFFAOYSA-N 392.421 4.744 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NC[C@H](CC)Cc2ccccc2)c1C 225632468 ZKBJOYNJBAAGLL-QGZVFWFLSA-N 384.545 4.727 0 40 GJAB CC[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(C)cc1C 225716972 KFHOTMCZIHYJRQ-FQEVSTJZSA-N 381.545 4.868 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1C 225796833 VISZISWEEOLJEN-QHCPKHFHSA-N 395.524 4.688 0 40 GJAB CC(C)CC(=O)N1CCC2(CC1)Oc1ccccc1-c1ncn(CC3CCC3)c12 306139682 TXOUBGWPUAOEMU-UHFFFAOYSA-N 393.531 4.606 0 40 GJAB Cc1ccc(SCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 408705317 CAANAGWUGMFDQA-INIZCTEOSA-N 377.937 4.941 0 40 GJAB CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccccc3)n2C)cc1 409198207 ZTUUXCOPZPJIBE-FCQUAONHSA-N 380.513 4.982 0 40 GJAB CC1CCN(Cc2cccc(CN[C@@H](C)c3ccc4c(c3)CCC(=O)N4)c2)CC1 532215547 GTIHOFBDBDWAIK-IBGZPJMESA-N 391.559 4.654 0 40 GJAB Cc1nn(CCNC(=O)CCc2cccc(Cl)c2)c(C)c1-c1cccs1 575612411 DOKHSCMCDNVFTD-UHFFFAOYSA-N 387.936 4.631 0 40 GJAB C[C]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc12 1560411751 QKIQVKDAYVDCQT-LJQANCHMSA-N 389.237 4.507 0 40 GJAB Cc1ccc(N2CCC([C@@H]3CCCCN3Cc3ccc(Cl)cc3)CC2)nn1 2056225614 TWDBJFIVMIYDCY-NRFANRHFSA-N 384.955 4.710 0 40 GJAB Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CC(C)(C)C4)cc1C 1247233 HWBRAPMNACQRKC-UHFFFAOYSA-N 393.512 4.903 0 40 GJAB O=c1c2cc(-c3ccccc3)sc2nnn1Cc1ccc(Cl)c(Cl)c1 1785061 MHKNBKKBOBPFSQ-UHFFFAOYSA-N 388.279 4.875 0 40 GJAB Cc1cccc(CSc2nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o2)c1 2335432 VKFXJKTUEMAAKB-HNNXBMFYSA-N 377.510 4.892 0 40 GJAB Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccn2)cc1 2439573 XMLUUPMPPGLWKE-UHFFFAOYSA-N 398.495 4.806 0 40 GJAB O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2)c1cccnc1 3100236 NRNJAKACDBXBBP-UHFFFAOYSA-N 377.469 4.527 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 3240441 BEUSSTFODAWOHX-QWRGUYRKSA-N 383.872 4.640 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ncnc2ccccc12 3254596 WOESQFDYIDFXDP-UHFFFAOYSA-N 381.501 4.667 0 40 GJAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3276327 VTGRCUBJMFQLIU-MRVPVSSYSA-N 388.634 4.536 0 40 GJAB O=c1cc(CN2CC=C(c3ccccc3)CC2)nc2scc(-c3ccccc3)n12 3291417 SYRRSYVVAYHNPG-UHFFFAOYSA-N 399.519 4.712 0 40 GJAB CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCCCC2 4438443 GAIIASJQRGALSZ-UHFFFAOYSA-N 388.558 4.680 0 40 GJAB C[C@@H]1CCCCN1C(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 4936337 JBFHKBRPDNGFEG-QGZVFWFLSA-N 391.540 4.714 0 40 GJAB CC1=C(C(=O)O[C@H]2CCC[C@H](C)C2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 5002928 QZNQTLPLRIJJML-SIMVJXQJSA-N 397.302 4.743 0 40 GJAB Clc1ccc(OCc2nn3c(-c4ccccc4Cl)nnc3s2)cc1 5533387 HBGDLJDJEHSVLD-UHFFFAOYSA-N 377.256 4.739 0 40 GJAB Cn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccncc1 6137758 LIPFCVDIRYXUPK-FQEVSTJZSA-N 386.480 4.593 0 40 GJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1ccccc1Cl 6243391 GIKWASVTSHFBSQ-ZDUSSCGKSA-N 376.909 4.746 0 40 GJAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)NC4CCCCCC4)cc3C2=O)c1 6284172 SXWBJLWIHAAQBE-UHFFFAOYSA-N 390.483 4.557 0 40 GJAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 6345694 PVUTTYSQXRSOFO-ODLFYWEKSA-N 378.453 4.582 0 40 GJAB O=C(COc1ccccc1C1SCCS1)NCc1ccc(Cl)cc1 6585629 HOPORSVOJRHVRD-UHFFFAOYSA-N 379.934 4.514 0 40 GJAB COCc1cc(C)nc2sc(C(=O)Nc3cc(C(C)(C)C)ccc3O)c(N)c12 6661880 KAARCIXFBBVHFG-UHFFFAOYSA-N 399.516 4.589 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 6879843 PJTNMVNUSZAPFG-UHFFFAOYSA-N 386.860 4.915 0 40 GJAB C[C@H](C(=O)Nc1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 6931788 GIWWCJGEJQEIGD-WAIKUNEKSA-N 395.462 4.740 0 40 GJAB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N[C@@H]1CCCc2ccccc21 7129962 OCMAFIKYGVCLRV-OXJNMPFZSA-N 391.540 4.762 0 40 GJAB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cnc3ccccc3n2)cc1 7363653 MYMOGVQVXJNZEJ-QHCPKHFHSA-N 396.450 4.800 0 40 GJAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1 7472807 MXHSSXFWTXPJNN-LLVKDONJSA-N 392.406 4.610 0 40 GJAB C[C@@H](NC(=O)COc1ccc(Br)cc1F)c1cc2ccccc2o1 7694564 VZBJREOKNNTCLP-LLVKDONJSA-N 392.224 4.591 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\CC(=O)O)c1nc2ccccc2o1 7785158 VRNOTALTLRBDHD-SDNWHVSQSA-N 393.830 4.991 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7882501 GVYBGOTVPHPIIG-OAHLLOKOSA-N 398.384 4.850 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)C1(CC(=O)NC2CC2)CCCCC1 7920494 GJFQGWLPSAYQIA-UHFFFAOYSA-N 386.536 4.550 0 40 GJAB CCOc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCCC4)o2)cc1 8393029 PEKKRBIGJCYNDS-UHFFFAOYSA-N 394.496 4.989 0 40 GJAB COc1ccc(NC(=O)c2ccc(CN(C)Cc3ccccc3F)cc2)cc1 8428037 RGMOHDIFISJUSV-UHFFFAOYSA-N 378.447 4.719 0 40 GJAB CC(C)(C)c1cc(-c2nnc3c4ccccc4c(Cc4ccccc4)nn23)n[nH]1 9059828 JIYFSGCQHUXBPY-UHFFFAOYSA-N 382.471 4.556 0 40 GJAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)COc3ccc(F)cc3)ccc1O2 9135099 XHQYZDHZJRRCIV-UHFFFAOYSA-N 392.386 4.510 0 40 GJAB Cc1cc(OCC(=O)N(Cc2ccco2)Cc2cccs2)ccc1Cl 9204410 KWJCZFSKWIMBLC-UHFFFAOYSA-N 375.877 4.911 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)CC2CCCCC2)c1 10186552 LNHUGURSULSVDQ-UHFFFAOYSA-N 393.462 4.742 0 40 GJAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3cnn(-c4ccccc4)c3)ccc2c1 10897899 PAGNIVANADEGDU-SFHVURJKSA-N 399.494 4.796 0 40 GJAB Cc1cc(NC(=O)c2ccco2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 12441845 HSIJHMVRXYQEQA-UHFFFAOYSA-N 384.848 4.803 0 40 GJAB CCOc1cc2c(cc1CNC(=O)c1cccc(Cl)c1Cl)O[C@@H](C)C2 12786337 BERSYSZNXVMIDH-NSHDSACASA-N 380.271 4.646 0 40 GJAB CC(C)C(=O)Nc1cccc(CNC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 12985182 BURFUPIRBMJZTB-MRXNPFEDSA-N 393.487 4.930 0 40 GJAB COc1ccc(-c2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn23)cc1 13956889 ZBDSVODSFOARAO-UHFFFAOYSA-N 377.256 4.835 0 40 GJAB CCOc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4cccs4)nc32)cc1 15842272 REOKZZFBTSJYSS-UHFFFAOYSA-N 389.484 4.812 0 40 GJAB Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C)c3)cs2)cc1 17939832 NPKUJQGUOXOSBQ-HNNXBMFYSA-N 380.469 4.611 0 40 GJAB COc1ccc(OCCNc2ccc(OCCOc3ccccc3)cc2)cc1 19738244 ZFCYYYLPDLNDFK-UHFFFAOYSA-N 379.456 4.644 0 40 GJAB COc1ccc(OC)c(NC(=O)CCc2sc(C)nc2-c2cccs2)c1 19819506 FMBZDNDSTWHOOS-UHFFFAOYSA-N 388.514 4.769 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 19932327 LRXHVWKTNJIRRX-NRFANRHFSA-N 394.515 4.726 0 40 GJAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccccc1Cl 20356933 KSTYGYKAZVIUQV-UHFFFAOYSA-N 380.810 4.774 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)c1 20493637 CLHUSOCEYSVVEY-SFHVURJKSA-N 375.852 4.621 0 40 GJAB COc1ccc(-n2nc(Nc3cccc(OC)c3)c3c2CC(C)(C)CC3=O)cc1 20797072 GMPNUWBJZHHFCE-UHFFFAOYSA-N 391.471 4.788 0 40 GJAB C[C@@H](NC(=O)CSc1nccc(C(F)(F)F)n1)c1cccc2ccccc12 22614488 XYHZIJYEGKITDO-GFCCVEGCSA-N 391.418 4.618 0 40 GJAB Cc1cc(C(=O)Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)c(C)[nH]1 25148630 NBDCBRJLLWALHH-UHFFFAOYSA-N 391.496 4.570 0 40 GJAB C[C@H](NC[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2)c1ccccc1 28296802 GSUDRDNINUXOFS-FUHWJXTLSA-N 382.935 4.885 0 40 GJAB Cc1nc2cc(C(=O)N3CCC[C@H]3c3ccncc3)ccc2n1-c1ccccc1 32907457 SJRJZNDFCZBQKC-QFIPXVFZSA-N 382.467 4.706 0 40 GJAB Cc1cccc(CSCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 38851664 LHILZGPAAVAGTO-UHFFFAOYSA-N 396.600 4.890 0 40 GJAB COc1ccc2oc(-c3ccc4nc(-n5nc(C)cc5C)sc4c3)nc2c1 40542415 NNDNWDXUIONZEK-UHFFFAOYSA-N 376.441 4.916 0 40 GJAB Cc1nc(CSc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)no1 45948087 KBVOOOAFUVXDCX-UHFFFAOYSA-N 393.390 4.941 0 40 GJAB Cc1noc(-c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2)n1 49027116 GJHCYKJUGAFNPL-UHFFFAOYSA-N 383.407 4.921 0 40 GJAB CC[C@@H](NC(=O)NCCc1coc(-c2ccc(C)cc2)n1)c1ccc(OC)cc1 72083960 DFHXIBKBQMCAFS-OAQYLSRUSA-N 393.487 4.652 0 40 GJAB O=C(C(c1ccccc1)c1ccccc1)N1C[C@H](n2cccn2)Cc2ccccc21 78949720 TUEGQASTBUIMGG-HSZRJFAPSA-N 393.490 4.846 0 40 GJAB Cc1nc(-c2cccc(NC(=O)N3CCC[C@@H]3Cc3ccccc3Cl)c2)no1 84281532 VGEMPKBGCFSVSS-GOSISDBHSA-N 396.878 4.937 0 40 GJAB CN(Cc1ccccn1)C(=O)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 96154740 UFMLDAWDRRBCHR-UHFFFAOYSA-N 399.498 4.585 0 40 GJAB CCc1ccc(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 218954034 UEXHWHLAKKPONL-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)s1 223883078 XQKNQCKAVSEXSS-UXHICEINSA-N 394.569 4.695 0 40 GJAB O=C(NCCOc1ccc(F)cc1)c1ccc(OCc2ccccc2Cl)cc1 224276859 OSTFKSSTSURKQV-UHFFFAOYSA-N 399.849 4.867 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 224812465 FYHLTRDEBHOAOU-UHFFFAOYSA-N 393.814 4.785 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)ccc21 225097599 FQXBCFNDBCBMLG-CQSZACIVSA-N 398.528 4.786 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 225559059 QTNBYRSMYISOLC-NZQKXSOJSA-N 394.559 4.650 0 40 GJAB COc1c(C(=O)Nc2ccc(C)cc2N)cc2ccccc2c1Br 226347578 AINAOINPDKUFKM-UHFFFAOYSA-N 385.261 4.754 0 40 GJAB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Cl)c1 408616095 VTRCBNVSOQZHSG-UHFFFAOYSA-N 394.858 4.531 0 40 GJAB C[C@H](N[C@@H](C)C1CC(F)(F)C1)c1nc(-c2ccc(Br)cc2)no1 529559971 ZPSBEABNQOCNTF-UWVGGRQHSA-N 386.240 4.584 0 40 GJAB CCCC(CCC)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 692874 NQXQEUKZAKYUQW-UHFFFAOYSA-N 382.460 4.792 0 40 GJAB O=C(CSc1nnc(-c2cccnc2)o1)N(c1ccccc1)c1ccccc1 863275 DYFZHJJIMOBSOU-UHFFFAOYSA-N 388.452 4.589 0 40 GJAB Ic1ccccc1N1COc2ccc3ccccc3c2C1 869363 IAYPBPHLTYPYRH-UHFFFAOYSA-N 387.220 4.801 0 40 GJAB Oc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c(O)c1 904251 UCKRTHCAVQAVRA-UHFFFAOYSA-N 388.265 4.530 0 40 GJAB O=C(Cc1cccc2ccccc12)Nc1ccc(I)cc1 1045990 QRLFWTOJBXCASY-UHFFFAOYSA-N 387.220 4.626 0 40 GJAB Cc1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 2186983 LVULSZKYKCWUMQ-HXUWFJFHSA-N 393.487 4.551 0 40 GJAB biogenic,in-vitro COc1ccc(CNc2nc3c(-c4cccc(F)c4)nnn3c3ccccc23)cc1 2698914 ATIHTZKGTIYKDM-UHFFFAOYSA-N 399.429 4.704 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(N(CC)CC)cc2)sc2c1CCC2 4064072 HMBOZMWKJIMADO-UHFFFAOYSA-N 386.517 4.512 0 40 GJAB COCCn1c(SCc2ccccc2C)nnc1-c1c[nH]c2ccccc12 4138676 HKFSBWKXDKWJSD-UHFFFAOYSA-N 378.501 4.674 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)c1 4330922 AZNLPCINBCQDAZ-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB CC(C)c1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 4503006 VQDGNDUGMPQIRC-UHFFFAOYSA-N 376.334 4.840 0 40 GJAB Clc1cccc(C2OCC3(CO2)COC(c2cccc(Cl)c2)OC3)c1 4843889 UMEKZMXMDGCPQP-UHFFFAOYSA-N 381.255 4.771 0 40 GJAB O=C(CSC1=NC2(CCCC2)N=C1c1cccc(F)c1)Nc1ccc(F)cc1 4890805 POFWBDQZYGTUIB-UHFFFAOYSA-N 399.466 4.808 0 40 GJAB Cc1ccc([C@H](O)[P@](=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc1 5029737 ZMDMYYXWJFSAGA-QFQXNSOFSA-N 375.449 4.718 0 40 GJAB O=C(CCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5099412 SDRPGROJRIQKSP-UHFFFAOYSA-N 390.508 4.912 0 40 GJAB Cc1sc2nc([C@@H](C)Oc3ccc(Br)cc3F)[nH]c(=O)c2c1C 5173714 WKLRSVLQCQYCHC-MRVPVSSYSA-N 397.269 4.643 0 40 GJAB O=C(c1ccccc1)c1ccc(O[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1 5464007 ZDUJAPVUAIHTGH-XMMPIXPASA-N 385.463 4.660 0 40 GJAB CC1(C)[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)CC[C@]1(C)C(=O)O 5482306 XOJYXJUCLVCFID-WMZHIEFXSA-N 381.472 4.731 0 40 GJAB CCOC(=O)c1c(NC(=O)c2c(-c3ccccc3)noc2C)sc(C)c1C 6047125 FSZBSEGGTICBBC-UHFFFAOYSA-N 384.457 4.757 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 6592594 XAMUTGVQTNILON-UHFFFAOYSA-N 384.476 4.721 0 40 GJAB CCOc1ccc(-n2nc3ccc(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 6963768 QWTHUMZIPURWGW-UHFFFAOYSA-N 386.455 4.688 0 40 GJAB Cc1nnc(SCc2cc(Cl)c3c(c2)OCCCO3)n1-c1ccccc1 6976182 FIFIZUNWFMNWBK-UHFFFAOYSA-N 387.892 4.683 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(COC(C)C)cc1 8009794 QCOMWFUYCNSBPL-UHFFFAOYSA-N 391.515 4.686 0 40 GJAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1ccc(C#N)cc1 8113482 FBBHZSOQVDLUEB-UDWIEESQSA-N 382.419 4.639 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1C 8264652 VWSOLXAJVHJVRU-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB COCCc1ccc(-c2csc(NC(=O)c3ccc(C)c(OC)c3)n2)cc1 8772614 UYCHCPKSYOUQDL-UHFFFAOYSA-N 382.485 4.568 0 40 GJAB C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1ccccc1Sc1ccccc1 10649571 MIKBOKNEURAHEP-CQSZACIVSA-N 396.541 4.884 0 40 GJAB CC[C@@H](C(=O)Nc1ccc(-c2cn3nc(OC)ccc3n2)cc1)c1ccccc1 11693485 BNXFENYBXDROJI-LJQANCHMSA-N 386.455 4.537 0 40 GJAB C[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)[C@H](O)c1ccc(O)cc1 12913311 XOVOKWMGJCUAOS-YJYMSZOUSA-N 377.469 4.598 0 40 GJAB COc1ccc(C(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)cn1 12976706 NPYRSMRWGLIDGL-UHFFFAOYSA-N 394.283 4.697 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCSCc2ccccc2)cc(C)c1Cl 14397997 GFWPSAISDMTMEC-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(Cl)c1 14399583 YWQQUEADAZBDDN-CYBMUJFWSA-N 384.328 4.810 0 40 GJAB CCOc1ccc(Br)cc1C(=O)Nc1cccc(Br)c1 14553055 FBEKASBYNIYRLF-UHFFFAOYSA-N 399.082 4.863 0 40 GJAB Cc1cc(C)n(-c2ccc(SCc3csc(-c4ccc(F)cc4)n3)nn2)n1 14802579 SZYSVFJPRNRFJA-UHFFFAOYSA-N 397.504 4.834 0 40 GJAB C[C@@H](OC(=O)c1cccnc1Oc1ccccc1)C(=O)c1ccc(F)c(F)c1 14853023 UPUYTNGMIMWWCH-CYBMUJFWSA-N 383.350 4.580 0 40 GJAB C[C@@H](NC(=O)CCc1csc(NC(=O)Nc2ccccc2)n1)c1ccccc1 16849036 VZIFSDILLXDMHZ-OAHLLOKOSA-N 394.500 4.597 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1Cl 17079799 GRGLUEOPVMZEEV-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB Cc1csc(C(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)c1 19124564 YNPCSVNVDCEUFL-LJQANCHMSA-N 392.528 4.893 0 40 GJAB COc1ccc(C2(NCc3cccc(Oc4ncccn4)c3)CCCC2)cc1 19553799 IGDTXIVCSHTTTQ-UHFFFAOYSA-N 375.472 4.837 0 40 GJAB CCCn1nc(NC(=O)COc2cccc(C)c2)c2cc3cccc(C)c3nc21 21596541 LYDKJBGGBRUQEK-UHFFFAOYSA-N 388.471 4.629 0 40 GJAB COC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 22922453 WMKQKISLIZUJLZ-UHFFFAOYSA-N 398.311 4.960 0 40 GJAB COCc1ccc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 23047811 RSWIDHODRNKQTB-UHFFFAOYSA-N 383.488 4.875 0 40 GJAB CCOc1ccc(-c2noc(CNc3ccc(OC(F)(F)F)cc3)n2)cc1 26782119 ZUMBYSMPMLLSTJ-UHFFFAOYSA-N 379.338 4.646 0 40 GJAB CCSc1ncc(Br)c(C(=O)Nc2cc(Cl)ccc2C)n1 27743745 IFJGJAMSIZENPL-UHFFFAOYSA-N 386.702 4.565 0 40 GJAB CCn1nc(C)cc1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 28306394 IKFVIEPZAIZHCU-UHFFFAOYSA-N 375.428 4.789 0 40 GJAB O=C(CSc1ccccc1Br)N1CCSc2ccccc21 29745019 MLTYXRTYUOETQP-UHFFFAOYSA-N 380.332 4.680 0 40 GJAB Cc1nn(C)c2ncc(C(=O)Nc3ccc(-c4cc5ccccc5o4)cc3)cc12 40040231 IKCGUMVFNDXVFY-UHFFFAOYSA-N 382.423 4.942 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cn2ccnc2C)cc1 44855434 OIWSBYXLULTMLB-OAQYLSRUSA-N 389.499 4.580 0 40 GJAB CC[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1 44946663 PFBIXIFGGSQDBR-KRWDZBQOSA-N 378.335 4.950 0 40 GJAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1nnc(-c2ccccn2)s1 47789228 QUSWWBQQZSRUHV-UHFFFAOYSA-N 394.287 4.571 0 40 GJAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1cc(OC)cc(OC)c1 72277179 CWDLPINWOZZHBI-XZOQPEGZSA-N 381.516 4.821 0 40 GJAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 72378851 ZUTFHCLJUWSKNO-IBGZPJMESA-N 378.451 4.507 0 40 GJAB Cc1cc(CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)on1 84124332 PTWNYZYGLYVJLO-UHFFFAOYSA-N 377.831 4.782 0 40 GJAB Cc1ncc(Cl)c(C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)n1 92093275 KFAMLHIQTICHHL-WFASDCNBSA-N 383.801 4.523 0 40 GJAB Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3O)NC2=S)cc1C 100289053 MFAXVRICUHNFRC-CHHVJCJISA-N 393.295 4.578 0 40 GJAB COc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@]21CCOC(C)(C)C1 100748613 FMIWDKMHNWWDFR-XXBNENTESA-N 378.472 4.524 0 40 GJAB biogenic CCN1C(=O)[C@@H](Cc2ccc(SC)cc2)c2cc(Br)ccc21 101014306 SVZKNKCHLGZZQF-INIZCTEOSA-N 376.319 4.864 0 40 GJAB COc1ccc([C@@H]2CCCN2[C@H](C)c2nnc(-c3cccs3)o2)c(OC)c1 104021787 QCMISQKIJVQSIF-CJNGLKHVSA-N 385.489 4.713 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219565675 BCHZGTKGVRVOQH-QZTJIDSGSA-N 383.488 4.580 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)c(C)c1 222889516 PODWVSXCLINZDM-YADHBBJMSA-N 390.556 4.872 0 40 GJAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 224139369 UQHPIWMWECRMBZ-KRWDZBQOSA-N 375.896 4.536 0 40 GJAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C 224161778 ZTJNAFSVRMTLJZ-SFTDATJTSA-N 376.529 4.697 0 40 GJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1C 224264428 NMDFOKSTLVUYJB-VXKWHMMOSA-N 390.556 4.831 0 40 GJAB CCOC(=O)c1cc(NC(=S)NCCCOC2CCCCC2)ccc1Cl 225618151 LOGALADDDHKVGD-UHFFFAOYSA-N 398.956 4.543 0 40 GJAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225692967 RNPINJKJDFHXLS-DNVFCKCGSA-N 390.568 4.577 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 225851812 HJDRTVJDVIVQJA-IRXDYDNUSA-N 385.504 4.780 0 40 GJAB CCCCC(=O)N1CCC[C@@H]1c1ccc(C(=O)O)c(CCCc2ccccc2)n1 257238423 HKYJPZLRYRZSCQ-JOCHJYFZSA-N 394.515 4.809 0 40 GJAB O=C(c1cc2cc(F)ccc2s1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390829541 FDEQZOVTXBHKNV-HOTGVXAUSA-N 382.460 4.650 0 40 GJAB CCn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc(C)ccc21 408712903 AKAZRIASRIDBKP-UHFFFAOYSA-N 396.490 4.849 0 40 GJAB Cc1ccc(-c2cc(N)n3ncc(-c4cccc(Br)c4)c3n2)cc1 408953336 PWDXBKRVJPCJQO-UHFFFAOYSA-N 379.261 4.716 0 40 GJAB O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccc2ncccc2c1 501733979 VBPZKQMWDUZXTI-UHFFFAOYSA-N 399.425 4.556 0 40 GJAB CCn1c(CN2CCC[C@H](Cc3ccc(C)cc3)C2)nc2cc(C(=O)O)ccc21 565101780 XAEMXPJTFSQULL-LJQANCHMSA-N 391.515 4.518 0 40 GJAB CN(Cc1ccccc1NC(=O)NC[C@H]1CCCC12CC2)C(=O)c1cccs1 585123626 OYWPKTCZKXMULJ-QGZVFWFLSA-N 397.544 4.722 0 40 GJAB COc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)c(C)c1 803882 BPODWHBDPRSZHG-UHFFFAOYSA-N 390.468 4.510 0 40 GJAB O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1cccc2ccccc12 1506725 CVPWCBIRSCZNPC-PDGQHHTCSA-N 378.225 4.947 0 40 GJAB CCc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc3ccccc3c2)cc1 1865152 RUJIZURVQVCEOH-UHFFFAOYSA-N 389.451 4.547 0 40 GJAB CCn1c(SCc2ccc(Cl)cc2)nc2nc3c(cc2c1=O)CCCC3 2195742 ZWWKTDSRPIECGS-UHFFFAOYSA-N 385.920 4.636 0 40 GJAB Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1 2256079 SGSMWVCYVASRLN-ZEQRLZLVSA-N 392.462 4.799 0 40 GJAB CCOC(=O)CSc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 2331726 ANEJFPXFQPIXBJ-DHZHZOJOSA-N 398.509 4.603 0 40 GJAB Cc1nn(C)c(C)c1CN(C)C(=O)c1sc2cc(Cl)ccc2c1Cl 2769713 QJTABADBDIRKTI-UHFFFAOYSA-N 382.316 4.831 0 40 GJAB O=C1OC(c2cccc(Br)c2)=N/C1=C/c1ccc2ccccc2c1 3131207 JRXFLEPBYPBHIO-WOJGMQOQSA-N 378.225 4.947 0 40 GJAB Cc1nc2sc3c(c2c(-c2ccccc2)c1C(=O)N1CCOCC1)CCCC3 3343087 SVOROIYSLLASRD-UHFFFAOYSA-N 392.524 4.623 0 40 GJAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)c1C 3370703 AQFGBWWCCWSEKS-PXNSSMCTSA-N 394.515 4.899 0 40 GJAB Cc1cc2oc(=O)cc(COC(=O)CSCc3ccc(F)cc3)c2cc1C 3409024 HZNYUTACWOSPAT-UHFFFAOYSA-N 386.444 4.526 0 40 GJAB COCCN(Cc1ccccc1)C(=S)Nc1ccc(SC(F)F)cc1 3504495 QKRMDWWTAZIARV-UHFFFAOYSA-N 382.501 4.847 0 40 GJAB CCCn1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033465 UZHYHUFJSFKDJL-CQSZACIVSA-N 398.304 4.729 0 40 GJAB COc1cccc(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)c1 4162432 BZRWEEYKQIMOQI-UHFFFAOYSA-N 386.407 4.946 0 40 GJAB CC[C@@H](C)Cn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 5235772 NFNCDLOEEOWIKQ-IAGOWNOFSA-N 377.488 4.612 0 40 GJAB CSc1ccccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269333 FNDSPIRCURXTBN-UHFFFAOYSA-N 384.888 4.524 0 40 GJAB COc1ccc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)cc1 5401451 SILYYRYUOMCBEV-UHFFFAOYSA-N 384.530 4.915 0 40 GJAB CCOC(=O)c1c(NC(=O)Cn2c(C)cc3ccccc32)sc2c1CCCC2 6630330 IZIFPBLNFWZRFB-UHFFFAOYSA-N 396.512 4.705 0 40 GJAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@@H](C)CC)cc3)CC2=O)cc1 6880986 GTGIBXDPUZLLBR-HKUYNNGSSA-N 394.515 4.981 0 40 GJAB CCc1ccc(-c2n[nH]c(S[C@H](C(=O)N(CC)CC)c3ccccc3)n2)cc1 7150653 NRTFXZNYFAHLSC-IBGZPJMESA-N 394.544 4.736 0 40 GJAB CCCNC(=O)[C@@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc12 7837247 MLJILKPGZXXHJG-LLVKDONJSA-N 375.494 4.504 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 8434217 HDTLHHHSTAFDSO-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccccc2)cc1Cl 8476999 CDMIJTVRBBTXAC-UHFFFAOYSA-N 394.906 4.959 0 40 GJAB CCCC[C@@H](Sc1nnc(-c2ccccc2)n1CC)C(=O)Nc1cc(C)on1 8709447 BNMDANABOWHCQS-MRXNPFEDSA-N 399.520 4.551 0 40 GJAB CCN(Cc1ccncc1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 9321997 FDCTWPQXWQUWFU-JOCHJYFZSA-N 398.510 4.927 0 40 GJAB O=C1CCc2cc(-c3csc(-c4cccc(NC(=O)C5CC5)c4)n3)ccc2N1 9513845 BJHUYSBOTWJFBP-UHFFFAOYSA-N 389.480 4.710 0 40 GJAB CCCCc1ccc(NC(=O)c2cc3c(cc2Br)OCCO3)cc1 9668233 FSOAPRANVQLBJG-UHFFFAOYSA-N 390.277 4.815 0 40 GJAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1cnn(-c2ccccc2)n1 9740471 HBDIDEYYMNLCRD-SBUREZEXSA-N 395.466 4.595 0 40 GJAB CCN(CC)c1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc12 10433687 MVJYEQLDJYESLD-UHFFFAOYSA-N 385.393 4.810 0 40 GJAB Cc1nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)cc(OC(C)C)n1 11613265 AZMNVIJHUACZPJ-UHFFFAOYSA-N 398.413 4.846 0 40 GJAB Cc1ccc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 11667270 JYZVRMGVVXCBMY-QGZVFWFLSA-N 389.455 4.508 0 40 GJAB O=C1N[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)Nc2sc3c(c21)CCCC3 12374681 PWPUXSGFVYNZGM-QGZVFWFLSA-N 384.892 4.525 0 40 GJAB Cc1cccc(C)c1NC(=O)Cc1csc(SCC(=O)c2ccccc2)n1 12444156 BBUBWXGIJHENQJ-UHFFFAOYSA-N 396.537 4.916 0 40 GJAB COc1ccc2c(CC(=O)N3CCC[C@H]3c3nc4ccccc4s3)coc2c1 12568465 QDLISZUNHMIMIT-SFHVURJKSA-N 392.480 4.957 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC=CC[C@@H]4C(=O)O)cc3)sc2c1 12649971 VVRPUWRAIBUXRZ-IRXDYDNUSA-N 392.480 4.877 0 40 GJAB CC1CCN(Cc2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1 12771710 QSBJNGBMNWYYLP-UHFFFAOYSA-N 384.332 4.934 0 40 GJAB Cn1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@H]3CCCC[C@@H]32)c1=S 13071822 MAARNTFVOZJWMX-PBHICJAKSA-N 376.957 4.884 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 13633138 JFCQUWCAVGCAMX-OAHLLOKOSA-N 394.858 4.998 0 40 GJAB O=C(CCCOc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 13856308 UYPNJPDFOGKDNB-UHFFFAOYSA-N 380.488 4.547 0 40 GJAB CCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c2cccnc12 15840821 WBFWADJOFSHKNV-UHFFFAOYSA-N 378.472 4.949 0 40 GJAB O=C(Oc1ccccc1-c1cc(=O)n2c(n1)CCCCC2)c1ccc(Cl)cc1 16769255 MNJLQYBJRYYFPV-UHFFFAOYSA-N 394.858 4.509 0 40 GJAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3ccccc3F)cc2n1 19116920 QWYWKIOSXTXFNO-INIZCTEOSA-N 378.373 4.533 0 40 GJAB Cc1oc(C2CC2)cc1C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 19582553 RUMASHNJNKJXLF-FQEVSTJZSA-N 375.472 4.518 0 40 GJAB Cc1ccc(-c2nc3ccccc3c3nnc(SCc4ccccn4)n23)cc1 19625775 KKSVDEVUIWDRNK-UHFFFAOYSA-N 383.480 4.940 0 40 GJAB O=C(NCc1ccccc1Cl)c1ccc(CN2CCc3ccccc32)cc1 20050746 ZCRVMCPOPGPRBW-UHFFFAOYSA-N 376.887 4.833 0 40 GJAB O=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2cccs2)no1 22460742 GDQGRNSJYDDPLA-UHFFFAOYSA-N 395.415 4.622 0 40 GJAB CN(C)[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1cn(C)c2ccccc12 23239932 VJGLTEVNCWGYFI-LJQANCHMSA-N 390.314 4.518 0 40 GJAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1-c1ccccc1 24760718 RWUCGFQLHFVBFI-GOSISDBHSA-N 399.494 4.920 0 40 GJAB FC(F)n1c(CSc2nncn2-c2cccc(Cl)c2)nc2ccccc21 25048365 NBGLEAUSYQRAKM-UHFFFAOYSA-N 391.834 4.958 0 40 GJAB COc1ccc(-[n+]2cc(-c3ccc(-c4ccccc4)cc3)n3c2COCC3)cc1 26441671 AUQYCBLSAOYQKU-UHFFFAOYSA-N 383.471 4.638 0 40 GJAB C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4cccc(Br)c4)no3)ccc2O1 28286964 IYIZNJNOBPPJMD-LLVKDONJSA-N 399.244 4.680 0 40 GJAB Cc1cccc(-n2ncc(C(=O)N(C)Cc3ccc(Br)cc3)c2C)c1 29505593 HAKAFGCXEZGQBP-UHFFFAOYSA-N 398.304 4.524 0 40 GJAB Cc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c(Cl)c1 32578612 AWPXDLVKQGNJQA-UHFFFAOYSA-N 385.851 4.839 0 40 GJAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCCN1C(=O)c1ccccc1 32759490 ZTVVRHNJBSAKOJ-QHCPKHFHSA-N 382.463 4.501 0 40 GJAB Cc1nc(-c2ccc(NS(=O)(=O)C3=Cc4ccccc4CC3)cc2)cs1 32780577 PNIPNOTVZNHDRJ-UHFFFAOYSA-N 382.510 4.848 0 40 GJAB Cc1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1Cl 32817745 IKZCPWGLNLORJL-UHFFFAOYSA-N 384.819 4.511 0 40 GJAB C[C@@H](NC[C@@H](O)COCC(c1ccccc1)c1ccccc1)c1ccccc1 40373205 YXBCIFNYBRWTHM-HYBUGGRVSA-N 375.512 4.547 0 40 GJAB CCOc1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br 40942554 IRESTCZEOXOELJ-UHFFFAOYSA-N 392.293 4.989 0 40 GJAB Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)N1CCCC1 44086675 HLSYKNPHFOOGJG-UHFFFAOYSA-N 377.513 4.562 0 40 GJAB COc1ccc(CSc2nccn3nc(-c4ccc(OC)cc4)cc23)cc1 48990922 GTAIWKFHJSQGGW-UHFFFAOYSA-N 377.469 4.706 0 40 GJAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 59227340 GBSBAUMLAZLJMG-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCC(=O)c1ccc(F)cc1F 65159268 XBSKPUYJKULXBD-ZDUSSCGKSA-N 382.410 4.555 0 40 GJAB Oc1c2c(n3nnnc3c1Cc1ccccc1)-c1ccccc1CC21CCCCC1 65356980 ICZXMBXPIDTADR-UHFFFAOYSA-N 396.494 4.846 0 40 GJAB Brc1cccc(-c2nnc(CN3CCC[C@H]3c3cccs3)o2)c1 65608524 XPBZWVFKIDHPDQ-AWEZNQCLSA-N 390.306 4.898 0 40 GJAB Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)c3ccccc3)CC2)c1 72265272 MEPXYEIDZPXDBP-VWLOTQADSA-N 384.523 4.851 0 40 GJAB COc1ccc(NC(=O)N(C[C@H](O)c2ccccc2)CC(C)(C)C)c(Cl)c1 72313627 JNGTYKQBFFGVCT-IBGZPJMESA-N 390.911 4.962 0 40 GJAB Cc1ncsc1C(=O)OC[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 78989021 IOQIRLHHICHWAN-GDBMZVCRSA-N 398.450 4.710 0 40 GJAB CCOCCOc1c(Cl)cccc1NCc1nccn1Cc1ccccc1 78999280 ONACNRDRXYFORA-UHFFFAOYSA-N 385.895 4.612 0 40 GJAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1cccc(Oc2ccncc2)c1 79034303 YKEFZXNTEXUMBP-UHFFFAOYSA-N 390.336 4.962 0 40 GJAB CN(CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)Cc1cccs1 83865655 UZPWBZQDZYRLJG-KRWDZBQOSA-N 383.344 4.850 0 40 GJAB Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)cc1C 84177743 GCNVAMGZSGTQDO-OAQYLSRUSA-N 378.516 4.809 0 40 GJAB Cc1ccc(C)c(OCCc2nnc(NC(=S)Nc3ccccc3)s2)c1 95116424 DQLXETJBZRVGQS-UHFFFAOYSA-N 384.530 4.585 0 40 GJAB CC(=O)Nc1cccc(C(=O)Nc2ncccc2OCc2cccc(Cl)c2)c1 95963013 LJFRTWKLFVVWAL-UHFFFAOYSA-N 395.846 4.525 0 40 GJAB Cc1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cnn1-c1ccncc1 97022404 QAFLKQSAXHNNJG-UHFFFAOYSA-N 395.875 4.605 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)C[C@H]3C(=O)Nc4ccccc43)ccc21 102771495 ZJLCVDNEZAVNGI-LJQANCHMSA-N 383.451 4.879 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 222899412 OGVDPADKHBAMGE-RTWAWAEBSA-N 397.515 4.834 0 40 GJAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(Cc2ccccc2F)CC1 224552127 JVCAWQCBMRIPRN-UHFFFAOYSA-N 388.486 4.928 0 40 GJAB COc1ccc(NC(=S)NCCSCc2ccc(C)cc2)c2cccnc12 225294967 HATOLMFNKPUAPV-UHFFFAOYSA-N 397.569 4.772 0 40 GJAB COc1ccc([C@H](C)NC(=S)Nc2ccc(Br)cc2F)cc1 225464565 PFGQJBBVVLNVBT-JTQLQIEISA-N 383.286 4.644 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCCCC1 225657385 BFXASHTYMQXQCQ-UHFFFAOYSA-N 390.568 4.865 0 40 GJAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2ccccc2Cl)no1 225810652 VCTUBXVNBSAFEL-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCCC1 225849828 UTHMGEFNFBNPFE-UHFFFAOYSA-N 391.508 4.576 0 40 GJAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)CC(C)C)ccc3O)nc2c1 408624178 BJVXKZGMLOYBAT-UHFFFAOYSA-N 397.500 4.676 0 40 GJAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 408656280 HNSWEKRWLDFJNM-GOSISDBHSA-N 379.500 4.950 0 40 GJAB CCCSC1=N[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N1 408986463 CMMAYYLMFJEEPS-IBGZPJMESA-N 380.513 4.805 0 40 GJAB COCCc1ccc(Oc2ccc(NC(=O)CCc3cncc(C)c3)cc2)cc1 559648326 BSWBDVCTUQECEO-UHFFFAOYSA-N 390.483 4.943 0 40 GJAB O=Cc1nc(Br)c(-c2ccc(OCc3ccccc3)c(Cl)c2)[nH]1 1857794705 HTWXANXOVPMVJP-UHFFFAOYSA-N 391.652 4.884 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)N[C@@H](C)c4ccccc4)c(N)c3cc2C1 661940 RQKMXMOOFSCDLJ-UONOGXRCSA-N 379.529 4.884 0 40 GJAB CCOc1ccc2cc3c(N)c(C(=O)N[C@@H]4CCCC[C@H]4C)sc3nc2c1 891630 XBLYZWYPPKOVHT-MLGOLLRUSA-N 383.517 4.739 0 40 GJAB CC(C)(C)c1nc(SCC(=O)N2CCc3ccccc32)c2ccccc2n1 1342463 SQYHJSYPJHTUBK-UHFFFAOYSA-N 377.513 4.609 0 40 GJAB CCN(CC)C(=O)N(Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 1367095 LQBWAVFAAHAHIX-UHFFFAOYSA-N 391.515 4.609 0 40 GJAB CCCCc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 1909278 VMDWVMJRGZYARS-OAQYLSRUSA-N 392.499 4.679 0 40 GJAB CCc1ccccc1N1COc2c(cc3c4c(c(=O)oc3c2C)CCCC4)C1 2125418 GJKVTPYKYKUDCV-UHFFFAOYSA-N 375.468 4.899 0 40 GJAB biogenic Cc1ccc(C)c(NC(=O)CN(C)C(=O)C(c2ccccc2)c2ccccc2)c1 2654924 POHPVOLOFKXBND-UHFFFAOYSA-N 386.495 4.532 0 40 GJAB Cc1ccc(-c2csc3ncnc(OCC(=O)NCC4CCCCC4)c23)cc1 2660350 PWOGOEFIJASEEC-UHFFFAOYSA-N 395.528 4.742 0 40 GJAB Cc1cccc(C(=O)Nc2nc(-c3cc(C)n(C[C@H]4CCCO4)c3C)cs2)c1 2726432 MUQHMVBFIUYYIE-GOSISDBHSA-N 395.528 4.968 0 40 GJAB O=C(Cc1c(F)cccc1Cl)OCC(=O)c1ccc(Cl)c(Cl)c1 3240868 WUOHPYSMUAKNDG-UHFFFAOYSA-N 375.610 4.755 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)c1ccc(Br)cc1 3285449 XLJBIXUJZQEKSH-SNVBAGLBSA-N 384.067 4.862 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(-c3nnc4c5ccccc5c(C)nn34)cc2)cc1 3655645 NXQZMSVBFZXLIN-UHFFFAOYSA-N 393.450 4.814 0 40 GJAB Fc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2ncn2nnnc32)cc1Cl 3852030 VLNYFVPJLMOKJW-UHFFFAOYSA-N 399.216 4.576 0 40 GJAB biogenic CC(=O)Nc1ccc2nc(NC(=O)CCSc3ccc(C)cc3)sc2c1 4496510 YSIUERNWGACHRW-UHFFFAOYSA-N 385.514 4.684 0 40 GJAB FC(F)(F)c1cccc(-n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)c1 4626491 LHZRULIUHPBLCV-UHFFFAOYSA-N 387.390 4.632 0 40 GJAB O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1)C1CCCCC1 4858096 NRNSWTWKXHUEJS-UHFFFAOYSA-N 381.520 4.755 0 40 GJAB COc1ccccc1-n1nc(-c2ccccc2)c2cnc3cc4c(cc3c21)OCO4 4970079 LBVLXSZILGAJON-UHFFFAOYSA-N 395.418 4.978 0 40 GJAB COc1cc(SC)ccc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 4979752 TZIPYEXNSAFSEK-URLQWDBASA-N 394.533 4.578 0 40 GJAB Cc1cc(C(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c(C)n1C 5156130 ZBIDGSVSHOZMLE-UHFFFAOYSA-N 393.534 4.733 0 40 GJAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2oc(=O)ccc2c1 5156214 TUTWFPIMDGDBNW-UHFFFAOYSA-N 377.440 4.858 0 40 GJAB O=c1nc(SCc2cccc3ccccc23)c2c(n1Cc1cccnc1)CCC2 5264389 PKAAIYCBFKKXOT-UHFFFAOYSA-N 399.519 4.621 0 40 GJAB CCCCCn1c(O)c(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21 5736209 UBLVSIWNGYYXCN-UHFFFAOYSA-N 378.472 4.766 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)cc1 6264439 QCVXFJRUCKGUHR-UHFFFAOYSA-N 378.266 4.889 0 40 GJAB O=C(N[C@@H]1CCCc2ccccc21)c1cn(-c2ccccc2)nc1-c1cccnc1 6579385 DRJJGCNYFHYKRI-HSZRJFAPSA-N 394.478 4.742 0 40 GJAB O=c1[nH]c2ccc(NCc3cc(Cl)ccc3OCc3ccc(F)cc3)cc2[nH]1 6662806 BIUCCRKHEQSDNH-UHFFFAOYSA-N 397.837 4.840 0 40 GJAB CCCN(C(=O)c1cc2c(=O)n3ccccc3nc2s1)c1cccc(Cl)c1 6757304 PDWNLGPEQMQAAO-UHFFFAOYSA-N 397.887 4.619 0 40 GJAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nncs2)cs1 7194169 CIRLJMGZDJJWOC-UHFFFAOYSA-N 376.532 4.588 0 40 GJAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccccc1Br 8515165 NDTHWVPIDUYAOU-FMIVXFBMSA-N 387.664 4.757 0 40 GJAB O=C(c1cccc(Cl)c1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O 9233068 KSHYHBFKBQKYDN-UHFFFAOYSA-N 392.842 4.617 0 40 GJAB CC1=C(C)[C@@H](c2c(C)n(C)c3ccccc23)N(Cc2ccc3c(c2)OCO3)C1=O 9668898 CBEIXADUVWNQLN-QHCPKHFHSA-N 388.467 4.635 0 40 GJAB CCN1C[C@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2ccccc21 11005561 UPXXFAHBDBUBKE-SFHVURJKSA-N 375.472 4.591 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(n2cnc3cccnc32)CC1 12114682 KHWXHQRQAFHCAK-UHFFFAOYSA-N 396.494 4.505 0 40 GJAB Cc1cccc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)n1 12143946 OVUFRQNTACGJNN-HXUWFJFHSA-N 391.471 4.891 0 40 GJAB Cc1c(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)oc2c(Cl)cccc12 12574950 QBRYHSSSJLZRGH-KRWDZBQOSA-N 397.837 4.787 0 40 GJAB CC[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 12601301 LJQFVQSEXYJMQU-IBGZPJMESA-N 396.494 4.858 0 40 GJAB CC1(C)CC(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC(C)(C)N1 12745095 CIEDBESMIOYOJT-FQEVSTJZSA-N 382.573 4.945 0 40 GJAB CCOc1ccc([C@H]2CCCN2Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 12803810 FKOUDMPWCVFUNR-HXUWFJFHSA-N 379.456 4.543 0 40 GJAB C[C@@H](Sc1cnc2ccccc2n1)C(=O)Nc1ccccc1C(F)(F)F 12929779 XLTDHLMQDMZBGI-LLVKDONJSA-N 377.391 4.768 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2ccc(Br)cc2C)cc1 13005674 SGQBNXLXDFJLTA-UHFFFAOYSA-N 378.291 4.691 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccccc2)cc1 14609675 DIFDYOZNJGSPEH-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB Cc1ccc2c(c1)c(C)c(C(=O)N1CCC[C@@H](c3cc4ncccc4[nH]3)C1)n2C 19220343 LKUDBIKZJQTMJB-QGZVFWFLSA-N 386.499 4.691 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)[C@@H](C)n2nccc2C)n1 19691268 XGKHXBRUUDOTPY-VGOFRKELSA-N 392.478 4.626 0 40 GJAB Cc1cccc(-c2nnc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)o2)c1 19928789 IXSKILBJCRDBBS-UHFFFAOYSA-N 383.864 4.776 0 40 GJAB COc1ccc(C(=O)NC[C@H](c2ccccc2)C2CCCCC2)c(OC)c1OC 20247763 JZWQGESFCOGLNJ-HXUWFJFHSA-N 397.515 4.806 0 40 GJAB Cc1cc(=O)oc2c3c(ccc12)OCN(CCc1ccc(Cl)cc1Cl)C3 20609823 XLTSAVYEKUOHSN-UHFFFAOYSA-N 390.266 4.803 0 40 GJAB biogenic CCOC(=O)Nc1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 24460724 FTZFSTXFQJOYKM-UHFFFAOYSA-N 384.457 4.752 0 40 GJAB COc1ccc(C(=O)CSc2n[nH]c(/C=C/c3cccs3)n2)cc1Cl 25006933 BUFHGWAYRGJPOM-FNORWQNLSA-N 391.905 4.674 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 27922602 UNWSCPFPIWOTBY-MOPGFXCFSA-N 379.891 4.944 0 40 GJAB Cc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc1 33012836 BSTQIIUYNUXDFE-UHFFFAOYSA-N 385.423 4.876 0 40 GJAB CCCCCCN(CCCCCC)S(=O)(=O)c1cnn(C(F)F)c1C 36615022 UDHXKIRUYWBSQY-UHFFFAOYSA-N 379.517 4.738 0 40 GJAB O=C(NCCSC1CCCCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38852765 QHVBZYCGCWUDLO-SFHVURJKSA-N 395.012 4.734 0 40 GJAB CCCCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1 39404197 GHMDDWFICTZRGU-UHFFFAOYSA-N 376.503 4.756 0 40 GJAB Cc1cc(N(C)C)ccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 40111673 VTIWDDFIUUTQDZ-UHFFFAOYSA-N 377.492 4.516 0 40 GJAB Cc1nnc(NC(=O)c2cc(F)ccc2-c2cccc(C(F)(F)F)c2)s1 40140563 IIKQRQLSQNJSAY-UHFFFAOYSA-N 381.354 4.924 0 40 GJAB CCOC(=O)c1sc(Br)nc1-c1ccc(C(F)(F)F)cc1 43220514 GJROTGCXQSNRKG-UHFFFAOYSA-N 380.185 4.768 0 40 GJAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2ccc(Cl)cc2)CC1 44933007 HRIVDPHTRUPZFV-JOCHJYFZSA-N 382.935 4.746 0 40 GJAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)NCCc4ccccc4)ccc32)cc1 46078522 WINZESFWNYKZQJ-UHFFFAOYSA-N 398.506 4.561 0 40 GJAB CC(=O)CCc1ccc(OS(=O)(=O)c2ccccc2-c2ccccc2)cc1 58646400 QNGHWHXOKWMEKQ-UHFFFAOYSA-N 380.465 4.643 0 40 GJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(C)cc1 59351765 WWVQORKYKJCRIC-KDOFPFPSSA-N 376.294 4.792 0 40 GJAB O=c1[nH]c(-c2ccc(O)cc2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 63837577 FRIWHAMRDQRIFQ-UHFFFAOYSA-N 382.341 4.982 0 40 GJAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc2ccccc2c1 71980483 PSLZGKBEKHRSHH-ITGJCUMNSA-N 395.499 4.698 0 40 GJAB CC[C@@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)c1nnc2n1CCCCC2 78947474 SQHNRCIJNLVQCL-HXUWFJFHSA-N 389.503 4.944 0 40 GJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCC[C@H]1c1ncc[nH]1 79019527 NZFGGKAJJOKZHP-INIZCTEOSA-N 382.464 4.600 0 40 GJAB CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)C1 89941657 VZLFUVPNCKZOBG-GOSISDBHSA-N 376.456 4.687 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@H](C)C2 102618062 ZBULIMFQRZMOJA-YXWQFLTLSA-N 375.534 4.814 0 40 GJAB CCOC(=O)c1sc(NC(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1C 102978582 JNMCIDQQXHBCRK-IJKBLAIYSA-N 381.925 4.750 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)CCc3ccc(Cl)cc3Cl)ccc21 225126615 PWGGAGSEBAZTMN-UHFFFAOYSA-N 395.311 4.961 0 40 GJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225688681 XYDIPFKPNBWDGA-QHCPKHFHSA-N 390.568 4.577 0 40 GJAB CCN(CC)c1ccc(N)cc1NC(=O)c1cc(Br)ccc1Cl 226261334 USAFUBLGRJCIKP-UHFFFAOYSA-N 396.716 4.783 0 40 GJAB Cc1cc(N)cc(Br)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 227145584 QAXOBNPQUUZTER-UHFFFAOYSA-N 397.700 4.789 0 40 GJAB CC(C)CC(=O)N1CCC[C@H]1c1ccc(C(=O)O)c(CCCc2ccccc2)n1 257336452 YOMIKJQYLTZTRM-QFIPXVFZSA-N 394.515 4.665 0 40 GJAB O=C(CCC1CCCC1)N1C[C@H]2CCC[C@]2(c2nc(-c3ccccc3)no2)C1 1615542254 UBLTUXRSVNWIFK-XXBNENTESA-N 379.504 4.587 0 40 GJAB CCOc1ccc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)cc1 624914 BWWJJHRGRLLTMM-UHFFFAOYSA-N 385.514 4.790 0 40 GJAB O=C(CSc1nnc(C2CCCCC2)o1)Nc1ccccc1Br 925493 FCBVALJOGVTQHK-UHFFFAOYSA-N 396.310 4.611 0 40 GJAB CCC(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1C 976178 CTIUTTUVBGMKST-UHFFFAOYSA-N 393.512 4.948 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)cc1 1339896 KEIFVBQANQCPDP-UHFFFAOYSA-N 390.508 4.965 0 40 GJAB CC(C)c1nc(SCC(=O)NC(C)(C)C)c2c3c(sc2n1)CCCC3 1378856 DSPOSIAEVRQALV-UHFFFAOYSA-N 377.579 4.700 0 40 GJAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1 1380175 DVWAFBIUNVTQKX-JOCHJYFZSA-N 394.515 4.773 0 40 GJAB CCOc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1 2283283 XHJIFQMYMVJGDU-UHFFFAOYSA-N 378.211 4.751 0 40 GJAB CC[C@H](C)COC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2378163 GXBPIBOOLRKLEI-AWEZNQCLSA-N 380.492 4.875 0 40 GJAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 2626887 FKAKLYQSLBCMED-KRWDZBQOSA-N 387.892 4.844 0 40 GJAB Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3ccc(Cl)cc3)cc12 3224733 ALZNPSHFMGEJTN-UHFFFAOYSA-N 381.888 4.979 0 40 GJAB O=C(CCNC(=O)c1ccccc1Cl)Oc1ccc2oc3ccccc3c2c1 3293749 IDMHAONUOSNREY-UHFFFAOYSA-N 393.826 4.965 0 40 GJAB C[C@H](NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 3301787 WKXVPBNNNWFVTF-INIZCTEOSA-N 387.435 4.549 0 40 GJAB C[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3c2C1 3656731 AVGDWGMFCDQOOP-AWEZNQCLSA-N 392.480 4.907 0 40 GJAB Cc1cccc(C(=O)N(CCCN(C)C)c2nc(-c3ccc(F)cc3)cs2)c1 4215035 HHDZXMXEFHSJER-UHFFFAOYSA-N 397.519 4.856 0 40 GJAB O=C(/C=C/c1cccs1)N(Cc1ccccn1)c1nc2ccccc2s1 4304747 ASBUYGRNYZMUIM-ZHACJKMWSA-N 377.494 4.999 0 40 GJAB O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c2ccccc12 4580650 KGAAAGBWCDMMNB-UHFFFAOYSA-N 389.948 4.988 0 40 GJAB CCOc1ccc(-c2cnc(NCc3cccc(Br)c3)n2C)cc1 4678896 ZJAQRVVJMTYXAD-UHFFFAOYSA-N 386.293 4.860 0 40 GJAB CCCCc1cc(=O)oc2cc(C)cc(O[C@@H](C(=O)OC)c3ccccc3)c12 4747481 JTRKEVHREKROPX-JOCHJYFZSA-N 380.440 4.737 0 40 GJAB CCc1nnc(NC(=O)CSc2c(-c3ccccc3)[nH]c3ccccc23)s1 6169049 WJDHDJMYXPDRKX-UHFFFAOYSA-N 394.525 4.980 0 40 GJAB C[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C1 6250384 INRRILWYSGOTKR-MRVPVSSYSA-N 383.300 4.531 0 40 GJAB CSCC[C@H](NC(=O)c1ccc(OCC(C)C)cc1)c1nc2ccccc2[nH]1 6654347 KTTLYROGSHXZMA-FQEVSTJZSA-N 397.544 4.822 0 40 GJAB COc1ccc(CCC(=O)Nc2ccccc2Cc2ccccc2)cc1OC 6839696 YXDPWXFZJDOAIC-UHFFFAOYSA-N 375.468 4.866 0 40 GJAB O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)c1cccs1 7446301 XTNPFLYFIQUXTQ-UHFFFAOYSA-N 391.315 4.943 0 40 GJAB CC[C@H](C)n1c(S[C@@H](C)C(=O)Nc2cccc(F)c2)nc2ccccc2c1=O 7621056 URUKJQVVVLHUSI-KBPBESRZSA-N 399.491 4.626 0 40 GJAB COc1cc(NC(=O)c2ccccc2SCc2c(C)noc2C)cc(OC)c1 7977862 OUECUUZYZYIRBA-UHFFFAOYSA-N 398.484 4.853 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)C(C)(C)C)cc2c1 8612029 QPVUOQWKSOXDEE-UHFFFAOYSA-N 382.891 4.931 0 40 GJAB CCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 8992109 NDARNUNVWAZQCT-PBHICJAKSA-N 383.923 4.679 0 40 GJAB CC1=C(C)[C@H](NC23CC4CC(CC(C4)C2)C3)N(CCc2ccc(Cl)cc2)C1=O 9434373 VVBLRUULLKGMDX-GPUVRGFBSA-N 398.978 4.946 0 40 GJAB O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCCN(Cc3ccsc3)[C@H]2C1 12188338 DTJFXJIAOGEKKH-AEFFLSMTSA-N 394.462 4.504 0 40 GJAB Clc1ccc2nc(CSc3nnc(NC4CCCCC4)s3)cn2c1 12659293 HHGBOXOYVKHNMX-UHFFFAOYSA-N 379.942 4.876 0 40 GJAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cccc(Cl)c2)cs1 12755705 ACMFOFLDHWSZQZ-UHFFFAOYSA-N 390.917 4.523 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 13668730 DLWBFLRLVKNCDF-HNNXBMFYSA-N 377.937 4.968 0 40 GJAB COc1ccc([C@@H]2CCCCCN2[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 14123296 YUOAFHGTTBLIGU-KKSFZXQISA-N 377.488 4.610 0 40 GJAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccccc3Cl)o1)CC2 14171292 ONEFCPUHNIXIGR-UHFFFAOYSA-N 397.858 4.816 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cccs4)cs3)cc2)n1 15320752 XJDDIDXIFCDWNJ-UHFFFAOYSA-N 380.498 4.926 0 40 GJAB CC(C)(C)c1ccc(OCCC(=O)Nc2ccccc2N2CCCC2=O)cc1 16105535 KHFRIJGUJUNOIP-UHFFFAOYSA-N 380.488 4.519 0 40 GJAB Cc1nccn1Cc1cccc(C(=O)Nc2ccc(-n3ccnc3C(C)C)cc2)c1 19288218 YUCBOPVPHMOGNI-UHFFFAOYSA-N 399.498 4.801 0 40 GJAB O=C(NCCCn1c(-c2ccc(F)cc2)cc2cccnc21)C1CCCCC1 19347175 IAGZKVAFDJKAAY-UHFFFAOYSA-N 379.479 4.929 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 20493809 DWLAUWGIMSMHSH-UHFFFAOYSA-N 399.494 4.850 0 40 GJAB O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1 20503553 NPDGUSAMLLYMFK-GHTZIAJQSA-N 396.490 4.881 0 40 GJAB biogenic,in-vitro O=C(c1cc(F)cc(F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21004187 WCZYBRSIAMKOAJ-UHFFFAOYSA-N 392.449 4.512 0 40 GJAB COc1cccc(Nc2ncccc2C(=O)Nc2ccccc2Br)c1 22072662 WPULXYHCVPOHQV-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB CCCCCC(=O)OC[C@@H](O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1 26897176 UEFOKZSZDQVRSZ-NZQKXSOJSA-N 383.532 4.562 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2C)cc1Cl 28184217 PPGGIEPXKCWCRO-UHFFFAOYSA-N 397.327 4.921 0 40 GJAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 28220988 APRXISMYGKPMGE-PMACEKPBSA-N 379.891 4.944 0 40 GJAB Nc1c(C(=O)Nc2cccc(Cl)c2)c2ccccc2n1C(=O)c1ccccc1 28535335 KDAKXSMOVNQNGZ-UHFFFAOYSA-N 389.842 4.818 0 40 GJAB CSc1ccccc1NC(=O)CSc1nncc2c1[nH]c1ccc(F)cc12 32752897 IYWKNYCLIXJAFO-UHFFFAOYSA-N 398.488 4.703 0 40 GJAB O=C(CSCc1csc(-c2ccccc2)n1)NCCc1ccc(F)cc1 40067187 YXBXHADWMKOWCN-UHFFFAOYSA-N 386.517 4.541 0 40 GJAB CN(C)c1ccc(C[C@@H]([C@@H](O)c2ccc(Cl)cc2Cl)n2ccnc2)cc1 40254510 VKFUYXLOJGHRBX-PMACEKPBSA-N 390.314 4.773 0 40 GJAB c1ccc(Cc2noc(CN3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 48299409 BPBGZZRZFSIAQB-HSZRJFAPSA-N 381.479 4.808 0 40 GJAB O=C(Cc1csc(-c2ccccn2)n1)Nc1cc(Cl)ccc1N1CCCC1 60774949 SSYSYOOSBANEHP-UHFFFAOYSA-N 398.919 4.640 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 61031955 RMCHGMFDQOKYGA-UHFFFAOYSA-N 390.288 4.592 0 40 GJAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(C)c1 67293215 ZAIIPSPFEJYUQX-BZZOAKBMSA-N 385.423 4.635 0 40 GJAB CN(C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)c1nccs1 71972740 BXBBIAXAUCKVBP-UHFFFAOYSA-N 386.908 4.528 0 40 GJAB CC[C@H](C)Sc1ccc(NC(=O)N2CCC(c3n[nH]c(C)n3)CC2)c(C)c1 72293204 OUDHYXJMWDHAEG-AWEZNQCLSA-N 387.553 4.724 0 40 GJAB COc1ccc(CN2CCC(c3cncc(-c4cccc(OC)c4)n3)CC2)cc1 72359290 YIEYFZORYHQDGG-UHFFFAOYSA-N 389.499 4.540 0 40 GJAB CCn1cnnc1-c1cccc(NC(=O)c2ccc(-c3nc(C)cs3)cc2)c1 83843673 NJMPCZYVHYETRA-UHFFFAOYSA-N 389.484 4.649 0 40 GJAB O=C(C[C@@H]1OCCc2ccccc21)NCc1ccc(OCc2ccccc2)cc1 89836776 LNUYGTGWWKRGJK-DEOSSOPVSA-N 387.479 4.586 0 40 GJAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(N(C)c3ccccc3)cc2)cc1 95471648 FUTFAVKFXQFKHW-SFHVURJKSA-N 390.483 4.660 0 40 GJAB CC(C)(CC1CCOCC1)C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 95991715 XNCXQVFUDMBGSH-UHFFFAOYSA-N 379.460 4.671 0 40 GJAB O=C(NCC[C@H](O)c1cc2ccccc2o1)C1c2ccccc2Oc2ccccc21 96097260 NRZPZWGTYZKUHO-IBGZPJMESA-N 399.446 4.910 0 40 GJAB Cc1cc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn34)n2)ccn1 96155331 NZRBULAQFPUQTQ-UHFFFAOYSA-N 393.450 4.748 0 40 GJAB O=C(Nc1c(-c2ccc(F)cc2)nc2ncccn12)c1cccc2ccccc12 108090493 YVFPBBXGPKQGBM-UHFFFAOYSA-N 382.398 4.941 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1C 219026353 NANALLFYVQGFMV-INIZCTEOSA-N 377.440 4.731 0 40 GJAB COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c1 223342760 CNCIZORPHNVTGY-IRXDYDNUSA-N 385.504 4.780 0 40 GJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3)o2)cc1 224906570 OKHHISOESRBSJJ-UHFFFAOYSA-N 384.435 4.947 0 40 GJAB Cc1cccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257234762 GUYNLCSOVKYWNR-FQEVSTJZSA-N 395.890 4.990 0 40 GJAB CCOC(=O)c1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 408731648 OIMBEXZSEQUHNZ-RGEXLXHISA-N 377.440 4.505 0 40 GJAB Cc1cccc(-n2cccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C 409108687 YNTXSQSTBBRQKR-CPNJWEJPSA-N 391.858 4.845 0 40 GJAB CC[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)c(C)c3)[C@](O)(C(F)(F)F)[C@H]2C1 409183017 RJMZRRHAKNHWPS-BTJLNZGRSA-N 388.817 4.537 0 40 GJAB O=C(COC(=O)c1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409198010 UKMOBPYVHPVADV-UHFFFAOYSA-N 389.495 4.950 0 40 GJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1CCO[C@@H](c2ccncc2)C1 580040440 MORCUTVXZXKJMC-CZUORRHYSA-N 399.800 4.796 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)CCc2ccccc2)CN1c1ccc(F)cc1 1615122077 PQZZJIJKCDNJLF-DEOSSOPVSA-N 380.507 4.808 0 40 GJAB CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cccc23)cc1 949561 DNDFURKAJFNYTE-UHFFFAOYSA-N 378.428 4.640 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc3[nH]c(C)c(C)c3c2)o1 1223297 HEQXIJYWSJUSPV-INIZCTEOSA-N 398.532 4.718 0 40 GJAB COc1cc(/C=C2\N=C(c3ccccc3)C(=O)O2)ccc1OCc1ccccc1 2091729 ZSDFYXZXBCYQJI-PXLXIMEGSA-N 385.419 4.619 0 40 GJAB COc1cccc(-c2ccc(-c3noc(-c4ccc(F)cc4)n3)c(OC)n2)c1 2412242 LCLODLWXAZUYBT-UHFFFAOYSA-N 377.375 4.622 0 40 GJAB O=C(Nc1cccc(Cl)c1)N(Cc1nnc2n1CCCCC2)c1ccccc1 2503787 DUTFNCYFRDGFIB-UHFFFAOYSA-N 395.894 4.897 0 40 GJAB CC(C)(C)NC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 2630545 OATCHYYYSNGWSH-UHFFFAOYSA-N 396.874 4.627 0 40 GJAB O=c1c2c(nc(SCc3ccccc3Cl)n1-c1ccccc1)CCS2 2719728 CNHKZLMUPYSTDR-UHFFFAOYSA-N 386.929 4.826 0 40 GJAB COc1ccccc1C(=O)N[C@H](Nc1cccc(C)c1)C(Cl)(Cl)Cl 3015015 VWGKWTGORZUVIE-INIZCTEOSA-N 387.694 4.542 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Sc2nncs2)c2ccccc2)cc1Cl 3389398 LRXXRLYFERSDQA-HNNXBMFYSA-N 375.906 4.972 0 40 GJAB Cn1c(SCc2c(F)cccc2Cl)nc2sc3c(c2c1=O)CCC3 3445468 BJLRMNJOAGSWGV-UHFFFAOYSA-N 380.897 4.569 0 40 GJAB CCOc1ccccc1NC(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1 4103523 RTOFDRFFQHZINY-UHFFFAOYSA-N 378.476 4.682 0 40 GJAB CN(C)CCCN(C(=O)c1cccs1)c1nc(-c2ccc(F)cc2)cs1 4215050 SVJMWKTYPYBCKH-UHFFFAOYSA-N 389.521 4.609 0 40 GJAB Cc1ccc(-c2nnc(N3CCN(Cc4ccccc4)CC3)c3ccccc23)cc1 4278794 ZVYNPPXPRUZWIJ-UHFFFAOYSA-N 394.522 4.927 0 40 GJAB CCc1sc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4=C(C)C)[C@H]3C2=O)nc1-c1ccccc1 4652203 SJECLOIEXPEKND-DJDHSFSDSA-N 392.524 4.854 0 40 GJAB O=C1C[C@H](c2ccccc2Cl)Cc2nc(NCCc3ccccc3)ncc21 4741437 BDCFJBBSIJNPGA-MRXNPFEDSA-N 377.875 4.697 0 40 GJAB Cc1cc(SCC(=O)OCc2c(C)noc2C)c(C)cc1Br 5061824 DSYMFTVOMTVWFV-UHFFFAOYSA-N 384.295 4.506 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(C)ccc3C)c2)cc1 5184714 VMNLVRBLQWBXIY-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)c(C)c1 5414095 CITYHZACSDJHFJ-UHFFFAOYSA-N 379.514 4.695 0 40 GJAB Cc1cc(C)n(-c2nc(NCc3ccccc3)c3c4c(sc3n2)CCCC4)n1 5556593 XZQPOIHINMSENM-UHFFFAOYSA-N 389.528 4.985 0 40 GJAB CCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c1cccc(Cl)c1 6654794 DQOOJIUPAVSGFN-UHFFFAOYSA-N 397.887 4.538 0 40 GJAB CCc1ccc(NC(=O)Cc2nc(-c3cc(OC)ccc3OC)cs2)cc1 7643843 GEXXMVIMFNOSFJ-UHFFFAOYSA-N 382.485 4.571 0 40 GJAB S=c1n(CN2CCC[C@@H]2c2cccs2)nc(-c2ccncc2)n1C1CC1 8114122 CNXJNLPDYDVUKR-MRXNPFEDSA-N 383.546 4.667 0 40 GJAB O=C(CSc1ccc(F)cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 8190033 PHVAKORFESEART-UHFFFAOYSA-N 396.491 4.541 0 40 GJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1ccc(F)c(F)c1 8230489 LOOPAHINYZTKLQ-LBPRGKRZSA-N 385.439 4.786 0 40 GJAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1nnc(Cc2ccccc2)s1 8394874 XQGPQPKFASFULD-UHFFFAOYSA-N 389.480 4.545 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1 8590870 FUVKUTHXZWSKEC-UHFFFAOYSA-N 387.439 4.808 0 40 GJAB CCOc1cccc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)oc12 10384414 MJXYXBKXFNDFLK-UHFFFAOYSA-N 378.211 4.751 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1C 10499983 MJZPOGBNEWFTLA-UHFFFAOYSA-N 393.512 4.516 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1C 12111654 DCZPITHQXURCBH-INIZCTEOSA-N 395.459 4.547 0 40 GJAB COc1ccc(CN2CCC(c3cc4ncccc4cn3)CC2)cc1OC(C)C 12220264 RLYHFHUGXPWREU-UHFFFAOYSA-N 391.515 4.805 0 40 GJAB COc1cc([C@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccccc1F 12419597 MWORTODJTUKLJU-OAHLLOKOSA-N 383.444 4.949 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1N1CCCC1 12561233 POISNOIWTTWLRO-MRXNPFEDSA-N 394.544 4.528 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)Cc2cc(-c3cccs3)on2)cc1 12869118 DRFUHFJLEXAJGB-UHFFFAOYSA-N 384.457 4.541 0 40 GJAB Cc1c(C(=O)Nc2ccccc2C(=O)NCc2ccco2)oc2c(F)cccc12 12912318 LNYOGMLYLAWHSS-UHFFFAOYSA-N 392.386 4.656 0 40 GJAB COc1ccc([C@H]2CCCCCN2Cc2nc(-c3ccccc3OC)no2)cc1 14019770 FLJBAYIALWESGP-HXUWFJFHSA-N 393.487 4.871 0 40 GJAB Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@@H](c3ccccc3)C2=O)cc1 15413131 SLTIZATXLGAQSU-DEOSSOPVSA-N 384.479 4.733 0 40 GJAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)C4CCCC4)C3)noc2n1 19521942 CYJKWCMCGROUOF-ZDUSSCGKSA-N 395.425 4.700 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20144283 WMWFSXJHJHJMNO-UHFFFAOYSA-N 388.634 4.671 0 40 GJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1ccc(Cl)cc1 21787214 NXRIGRJYPKOQIV-HXUWFJFHSA-N 397.906 4.842 0 40 GJAB CC(C)c1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)n1Cc1ccco1 22133422 SEBUTVUFPOGABU-HNNXBMFYSA-N 395.528 4.895 0 40 GJAB C[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c2ccccc2S1 24584836 CRUVAIRCCBPSNP-CHWSQXEVSA-N 384.526 4.650 0 40 GJAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2cccnc12 28404454 NOBFGOQRXNFDQY-HNNXBMFYSA-N 378.472 4.947 0 40 GJAB C[C@H](NCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(Cl)cc1 29961909 LKFZNAIGBVXZEC-HNNXBMFYSA-N 394.906 4.692 0 40 GJAB C[C@@H](NC(=O)c1ccc(F)cc1Br)c1cccc(OC(F)F)c1 32931089 GUHLVYVBOLUYEO-SECBINFHSA-N 388.183 4.681 0 40 GJAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Oc1ccc(-c2nnco2)cc1 32996073 SMSRZCMHPQUBNE-UHFFFAOYSA-N 399.765 4.712 0 40 GJAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C 33746849 ZJESOPUZJWCOST-UHFFFAOYSA-N 394.446 4.772 0 40 GJAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)s1 39989142 NTYLNVZLFHWYDO-LLVKDONJSA-N 385.942 4.716 0 40 GJAB O=C(Nc1ccc(F)cc1)c1nnc(CSc2cc(F)ccc2F)s1 40066708 OUJPTLFSXZAHLF-UHFFFAOYSA-N 381.404 4.500 0 40 GJAB O=C(c1cc(Cl)cc(Cl)c1)c1cccc(I)c1 43210121 BSAKOQNDJALKPS-UHFFFAOYSA-N 377.008 4.829 0 40 GJAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)Cc1cc(-c2cccs2)on1 46106688 FEJKXITZGMLMJT-UHFFFAOYSA-N 387.404 4.537 0 40 GJAB CN(Cc1csc2ccccc12)C(=O)NC1CCN(CC2CCCC2)CC1 58392095 YMQIEMPKDWXFPZ-UHFFFAOYSA-N 385.577 4.697 0 40 GJAB O=C(c1ccccc1Br)N(CCc1ccccc1)Cc1ccccn1 61974301 VMKPZRXOONMVAO-UHFFFAOYSA-N 395.300 4.729 0 40 GJAB O=C(OCc1cc(-c2cccs2)on1)c1ccn(-c2cccc(Cl)c2)n1 62589288 LGPHVPJZBSEMFT-UHFFFAOYSA-N 385.832 4.599 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)NCc1cccnc1Oc1cccc(F)c1 71912503 UJNSFDIOLVDSLK-HNNXBMFYSA-N 377.419 4.674 0 40 GJAB CC(C)c1cnc(CN2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 89893514 LGGNYKYHOAYCMX-IRXDYDNUSA-N 377.529 4.552 0 40 GJAB Cc1cc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c(C)s1 95956483 FOXUURGCEBJAMA-UHFFFAOYSA-N 383.542 4.903 0 40 GJAB O=C(c1cnc(-c2noc3cc(-c4ccc(F)cc4)ccc23)s1)N1CCCC1 96154666 YMHSVUNQHLKDID-UHFFFAOYSA-N 393.443 4.993 0 40 GJAB COc1ccc([C@@H]2CC3=Nc4nonc4N[C@@H](c4ccccc4)C3=C(O)C2)cc1 102736702 XXKBAGGTVZPQQX-QRWLVFNGSA-N 388.427 4.707 0 40 GJAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223372549 BXMMCNJBNSKWGS-LEWJYISDSA-N 376.529 4.637 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cccc(C)c1 224112479 IFTOYQLEUBTKGY-UHFFFAOYSA-N 391.423 4.564 0 40 GJAB Cc1ccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cl 224155241 WQFHHYSOFHLDQH-UHFFFAOYSA-N 375.896 4.520 0 40 GJAB COCc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 224400079 BQPWXILVUKZEFH-UHFFFAOYSA-N 375.468 4.684 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2cccc3c2CCCC3)cc1 224916196 PGTYCZMSLZMSNK-QFIPXVFZSA-N 381.516 4.856 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCC1(c2ccccc2)CCOCC1 225272705 SDXVDPKTFMPOHQ-VQHVLOKHSA-N 390.310 4.871 0 40 GJAB CC[C@H](NC(=S)Nc1cc(C(=O)OC)ccc1Cl)c1ccc(OC)cc1 225489206 QOZNDCLVAKZGED-INIZCTEOSA-N 392.908 4.573 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Oc2nccs2)cc1 225636300 DMKFCRCGUBORMQ-UHFFFAOYSA-N 380.454 4.706 0 40 GJAB Cc1nc(Nc2ncc(C)s2)cc(C2CCN(CCc3ccccc3)CC2)n1 257216428 CUMYXEANLGLKKX-UHFFFAOYSA-N 393.560 4.716 0 40 GJAB CCn1cc(CN2CCC[C@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 306141915 WJZGBTIRPWPVJG-SFHVURJKSA-N 377.517 4.616 0 40 GJAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cccc3ccccc23)CC1=O 408641799 NBHBILLPUPTDNK-HXUWFJFHSA-N 386.495 4.956 0 40 GJAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1Sc1ccccc1 643375 QPXRRRSYDYJQAD-UHFFFAOYSA-N 392.505 4.853 0 40 GJAB Cc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C(=O)CC(C)(C)C3 844082 ZNAFBQLWLRBGJS-UHFFFAOYSA-N 383.469 4.697 0 40 GJAB CCOc1ccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)cc1 898932 RRQPYCKJVIMGPM-UHFFFAOYSA-N 377.469 4.991 0 40 GJAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)N2CCCC2)c1C 950058 XCINMKFZBVLNQE-LJQANCHMSA-N 381.501 4.790 0 40 GJAB CCc1nc2sc3c(N4CCC(C)CC4)ncnc3c2c2c1COC(C)(C)C2 2275639 SZQCAJAMOGSGLA-UHFFFAOYSA-N 396.560 4.890 0 40 GJAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1CC 2623553 ICECCDDCPDHJTD-UHFFFAOYSA-N 387.530 4.920 0 40 GJAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2cccc(Cl)c2)cc1 2723224 XUFUOOQORDOPOC-UHFFFAOYSA-N 387.892 4.655 0 40 GJAB CCC(NC(=O)Nc1ccccc1Br)(C(F)(F)F)C(F)(F)F 3189003 IPHISFPOAGHCRP-UHFFFAOYSA-N 393.125 4.844 0 40 GJAB biogenic COc1ccc(-c2sc(NCCc3ccc(OC)c(OC)c3)nc2C)cc1 3315131 QGJDRFUZEJHESJ-UHFFFAOYSA-N 384.501 4.799 0 40 GJAB Cc1cccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CCCC3)c1 4150888 YXCNJZWVUGDTCC-UHFFFAOYSA-N 382.407 4.688 0 40 GJAB CSc1ccc(NC(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccc(F)cc2)cc1 4882771 KLUCXZWHVIVPDN-IHWFROFDSA-N 399.535 4.865 0 40 GJAB CCOc1ccc(Oc2ccc(NC(=O)COc3ccccc3OC)cc2)cc1 6261479 GTMKQSLVHCUGMI-UHFFFAOYSA-N 393.439 4.904 0 40 GJAB COc1cccc(-c2cc(OC(=O)c3ccc(F)cc3)cc3sc(=O)oc23)c1 6809721 SXAYLIFZTULHQK-UHFFFAOYSA-N 396.395 4.888 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H](C)c3ccncc3)cccc2c1=O 7184553 CUFWCRPUJUUZEE-MRXNPFEDSA-N 384.435 4.654 0 40 GJAB O=C1CCCC[C@H]1Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 7564643 IGIYMHBJTOJOLI-QGZVFWFLSA-N 396.537 4.540 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 7718795 VTNVRDOBLWHLSH-ZEQRLZLVSA-N 397.474 4.948 0 40 GJAB O=C(CNc1cccc(F)c1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 7971928 BCMDFOXXFAYLHE-LJQANCHMSA-N 397.837 4.862 0 40 GJAB CCn1c(SCC(=O)c2cc(C)n([C@H](C)COC)c2C)nc2ccccc21 8134371 AOBXJCWSIDGJHS-OAHLLOKOSA-N 385.533 4.657 0 40 GJAB CCOc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Br)c1OC 8253579 OYXBTMDFSDDEHL-UHFFFAOYSA-N 394.353 4.771 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)CSc2ccc(F)cc2)cc1OCC 8294607 NSGGRWMUCNIRHS-AWEZNQCLSA-N 377.481 4.593 0 40 GJAB COCCCn1c(SCc2cccc(F)c2)nc2cc(Cl)ccc2c1=O 12091728 YOHRAKXQOROYGB-UHFFFAOYSA-N 392.883 4.518 0 40 GJAB O=C(NCc1cc(-c2cccs2)on1)C1c2ccccc2Oc2ccccc21 12235912 VKPFJCPKVZRKFZ-UHFFFAOYSA-N 388.448 4.957 0 40 GJAB CN(Cc1ccc(Cl)cc1Cl)C(=O)Cc1csc(-c2ccccn2)n1 12791627 VFKMETZLUDCAPO-UHFFFAOYSA-N 392.311 4.713 0 40 GJAB CCOc1c(Cl)cc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1OC 12919963 VWOWVKUFCJECLG-UHFFFAOYSA-N 389.879 4.561 0 40 GJAB Cc1cccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)c1 12921218 ZYLCZKKVSWLFDL-YBEGLDIGSA-N 387.867 4.653 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1C(=O)c1cccs1 13014683 CVPXRQVRMHGXKH-AWEZNQCLSA-N 383.300 4.688 0 40 GJAB Cc1ccccc1CSCCNC(=O)[C@@H](C)Oc1cccc2ccccc12 13709191 YMZRXVVPSRKBSB-GOSISDBHSA-N 379.525 4.965 0 40 GJAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C(C)(C)C)cc1 13712801 HTQDIIQFRFMEGK-UHFFFAOYSA-N 392.499 4.815 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC(c1ccccc1)c1ccccc1 13858130 SXXOTHGDPVFARA-UHFFFAOYSA-N 382.463 4.607 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)COc2cccc(C)c2C)cc1 14552757 QEBOHUUDHTYGBS-UHFFFAOYSA-N 388.467 4.882 0 40 GJAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCC(C)CC2)o1 15860498 ZRZORVLUNAKKOK-LJQANCHMSA-N 398.478 4.985 0 40 GJAB CC(=O)O[C@@H]1Oc2ccc(C)cc2-c2oc(=O)c(Sc3ccccc3)cc21 16348133 DOLPMXDCNQVZRV-OAQYLSRUSA-N 380.421 4.721 0 40 GJAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)cc2)C1 16837153 CIUDRPDXYRKULS-GASCZTMLSA-N 386.542 4.630 0 40 GJAB CC(C)Oc1cccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)c1 17077024 RDTNSZAECKJLMP-UHFFFAOYSA-N 376.485 4.773 0 40 GJAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)c1ccccc1F 17170902 CJSYLPRDFOLUPR-UHFFFAOYSA-N 377.346 4.991 0 40 GJAB biogenic C/C(=C\c1ccccc1)CN(C)C1CCC2(CC1)CNCc1ccccc1O2 19014331 VGPHYZZEXVLKKD-CAPFRKAQSA-N 376.544 4.885 0 40 GJAB COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)c2c(OC)cccc12 19120555 XJDITMASNZUQCK-OXJNMPFZSA-N 380.488 4.654 0 40 GJAB COc1ccc(-c2nc(C(=O)N3CCC[C@@H]3c3cccc(OC)c3)cs2)cc1 19717302 TVJGKUFAHLIBJD-HXUWFJFHSA-N 394.496 4.805 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c(Cl)c1 20041273 LCZMUGXOOKQEHT-NSHDSACASA-N 382.243 4.576 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2CC)cc1OCC 20489835 WWPFNWZGZMWMOV-IAGOWNOFSA-N 385.504 4.691 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-n2cccn2)cc1 24570704 JRBNWTATTOOCFW-GFCCVEGCSA-N 376.243 4.585 0 40 GJAB CNC(=O)c1cccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)c1 24832232 BAHYKLHMKRPXRN-UHFFFAOYSA-N 379.485 4.545 0 40 GJAB O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1csc2c1CCCC2 28227534 ACZVOIMYGIWERX-UHFFFAOYSA-N 397.466 4.540 0 40 GJAB CC(C)c1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)N2CCCCC2)cc1 28291806 AQJGWFJJFCATOB-HSZRJFAPSA-N 398.522 4.671 0 40 GJAB COc1cccc(CO[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c1 31697029 FJFNOWLXEIVDJJ-QWHCGFSZSA-N 382.287 4.785 0 40 GJAB CCCCSCC(=O)Nc1cc(Br)ccc1Br 31950235 ODMWWWJLXUPWHW-UHFFFAOYSA-N 381.133 4.683 0 40 GJAB Cc1ccc(NC(=O)COc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1 33012316 RACYHEFZVPBYII-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB C[C@@H]1S/C(=C/c2nc3ccccc3s2)N(CC(=O)c2ccc(F)cc2)C1=O 33861592 JXWOLQQYHGDJPT-NJDFMEINSA-N 398.484 4.581 0 40 GJAB CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(F)(F)F)c1 47157869 PFZAJHXZNGZTJL-UHFFFAOYSA-N 375.350 4.877 0 40 GJAB O=C(NCC1(c2ccccc2)CC1)c1cc(-c2ccccn2)nc2ccccc12 48289510 GYZGABIPQITNIL-UHFFFAOYSA-N 379.463 4.758 0 40 GJAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccccc1OC(F)(F)F 48355812 MLFQNGWRCJDBST-LBPRGKRZSA-N 399.390 4.713 0 40 GJAB CC1=NN(c2ccc(C(=O)OCc3csc(-c4ccsc4)n3)cc2)CC1 58502394 UYAYGKOMYLHTNQ-UHFFFAOYSA-N 383.498 4.815 0 40 GJAB CCOCCO[C@@H](C)C(=O)Nc1ccc(Sc2ccccc2)c(Cl)c1 72280648 QGLGJXBAORWQEC-AWEZNQCLSA-N 379.909 4.871 0 40 GJAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 72353908 CWKZXONZSPDLRQ-HSZRJFAPSA-N 399.538 4.633 0 40 GJAB Fc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccc5Cl)no4)cc3CO2)cc1 97087240 OKBRIPFKHKPEDI-SFHVURJKSA-N 396.809 4.664 0 40 GJAB Cc1ccc(F)c(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c1 107101939 PZVYOXPZOVIELO-UHFFFAOYSA-N 398.747 4.639 0 40 GJAB CSc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 216265190 DAQZNGQWMLYTJK-NRFANRHFSA-N 383.538 4.785 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCS[C@@H](c2ccccc2C)CC1 219276080 VXRSGYAJKFOJGG-LJQANCHMSA-N 375.921 4.977 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)cc1OCC 222992390 ZFIVPYBGLYTFNC-FQEVSTJZSA-N 385.504 4.575 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 223223511 QAJBLUYOSOUKMY-QFIPXVFZSA-N 394.559 4.568 0 40 GJAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223393321 JFZLPHRNDBCHHG-RTWAWAEBSA-N 376.529 4.637 0 40 GJAB Fc1ccc(C2(CNC(=S)Nc3ncc(Cl)nc3Cl)CCCC2)cc1 223982973 ZDXDVPHYYSCPTJ-UHFFFAOYSA-N 399.322 4.721 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(CN2CCCCC2)cc1 224535473 PPJSIOREZGKLBW-XMMPIXPASA-N 394.559 4.763 0 40 GJAB Cc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1C 224866773 MJKDRQZEGVIROX-ZHZULCJRSA-N 376.481 4.775 0 40 GJAB C[C@H]1CC[C@H]2[C@H](O1)c1cc(OCC(=O)OCc3ccccc3)ccc1OC2(C)C 257301312 RXXZDHNPXZAJLE-ITSWEJNFSA-N 396.483 4.836 0 40 GJAB CN1C(=O)S/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)C1=O 409315093 NFNGUNAHQKWCHY-CXUHLZMHSA-N 377.824 4.724 0 40 GJAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OC)c2ccccc12 409379545 XOOJSKVMDDQZIF-IBGZPJMESA-N 380.469 4.616 0 40 GJAB O=C(CCCCOc1ccc(Br)cc1)Nc1ccc2n[nH]cc2c1 521271939 SCGMEDFJXJSXTJ-UHFFFAOYSA-N 388.265 4.513 0 40 GJAB COc1ccc([C@H](NC(=O)N2CCc3c([nH]c4ccccc34)C2)C(C)C)cc1 535403959 NNAZDIPCFWHCSS-JOCHJYFZSA-N 377.488 4.642 0 40 GJAB biogenic O=C(NCc1cncc(-c2ccoc2)c1)c1cccc(OCc2ccccc2)c1 575621632 ZMKLESQPXYHZRY-UHFFFAOYSA-N 384.435 4.851 0 40 GJAB Cc1nc(-c2ccc(NC(=O)[C@H]3COc4ccc(Cl)cc4C3)cc2)oc1C 614424182 KZRHKJLORQAINW-MRXNPFEDSA-N 382.847 4.802 0 40 GJAB COc1ccccc1OCCn1cc(C(=S)N2CCCCC2)c2ccccc21 665108 FCKDVMJVLMYYGU-UHFFFAOYSA-N 394.540 4.890 0 40 GJAB Cc1c(Cc2ccccc2)sc(NC(=S)Nc2ccc(F)cc2)c1C(N)=O 672069 BILMRLDXFDDBAS-UHFFFAOYSA-N 399.516 4.694 0 40 GJAB CCOc1ccc2nc(SCC(=O)c3ccc4c(c3)OCCO4)c(C)cc2c1 933017 UPEBJBPEKKZYON-UHFFFAOYSA-N 395.480 4.688 0 40 GJAB Cc1sc2nc(C3CC3)nc(SCC(=O)NC3CCCCC3)c2c1C 1377394 MZCBYEQMODRSNU-UHFFFAOYSA-N 375.563 4.727 0 40 GJAB CCCOC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2423740 PXFHAZTUBMKOLF-UHFFFAOYSA-N 388.471 4.846 0 40 GJAB CCOCN(C(=O)Cn1cnc2cc(C)c(C)cc21)c1c(C)cccc1CC 2666085 WFSUGCXKTCUZRS-UHFFFAOYSA-N 379.504 4.551 0 40 GJAB O=C(Cc1cccc2ccccc12)NCC(=O)Nc1ccc(-c2ccccc2)cc1 3407687 RMOZBKKGHOPTSV-UHFFFAOYSA-N 394.474 4.804 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nn(-c2ccccc2)c(=S)s1 3417200 NEORUUQCZWUMTG-ZDUSSCGKSA-N 399.566 4.733 0 40 GJAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccccc1F 4649729 JYZONXSNCWEGSD-UHFFFAOYSA-N 391.471 4.955 0 40 GJAB COc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2)cc1 5478579 UQOBMYBPWXOKBY-HXUWFJFHSA-N 389.426 4.653 0 40 GJAB Cc1ccc(-c2n[nH]c(SCc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 5865992 RRGUDUDLQGDXAE-UHFFFAOYSA-N 383.864 4.776 0 40 GJAB CC(C)CCC(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 5976895 RTERSVKGKRXLAJ-OALUTQOASA-N 380.532 4.794 0 40 GJAB biogenic O=C(COc1cc(-c2ccccc2)nc(C(F)(F)F)c1)Nc1ccc(F)cc1 6551009 PAWUZGKUOSQRKE-UHFFFAOYSA-N 390.336 4.924 0 40 GJAB COc1ccc(Br)cc1CN(C)C(=O)c1cccc2ccccc12 6993523 YDCOKBYUZOFWDJ-UHFFFAOYSA-N 384.273 4.883 0 40 GJAB CCc1nc2ccccc2n1CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 8013549 YYJFTDQQGAGVJR-NRFANRHFSA-N 391.515 4.751 0 40 GJAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(-c2ccco2)nc2ccccc12 8040329 ARHFCYDIMIUICU-UHFFFAOYSA-N 397.434 4.874 0 40 GJAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1CCCCCC1 8174474 VPJDLURSSPZUQN-GFCCVEGCSA-N 383.439 4.532 0 40 GJAB CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 8560808 UUZKXXCVILTRIN-GFCCVEGCSA-N 396.270 4.965 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1ccc2c(c1)OCCCO2 8855734 MYXKISNFZUELAY-SLZMIMFISA-N 394.496 4.690 0 40 GJAB CCN1C(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2Oc2ccccc21 9134692 NBSHJUSRFATKQN-UHFFFAOYSA-N 394.377 4.990 0 40 GJAB Cc1ccc2cc(CN(CC(C)C)C(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1 9347806 MFFZKZFBKNTWOF-UHFFFAOYSA-N 382.891 4.788 0 40 GJAB Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(C)c3)n2)cc1 9625523 YWXIWJOGUCYJGZ-UHFFFAOYSA-N 380.473 4.585 0 40 GJAB O=C(NCC1(c2ccccc2)CCC1)c1cc(Br)ccc1Cl 10221334 NJBZALSIBGDXRX-UHFFFAOYSA-N 378.697 4.954 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 11575211 WPKPJKPIJZYKMK-UHFFFAOYSA-N 376.500 4.686 0 40 GJAB COc1ccc(CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1OC 12738092 FGWWCLPGNCUVAI-UHFFFAOYSA-N 375.468 4.788 0 40 GJAB COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc(OC)c1 12756110 WHMRNWSMOVTHIV-DEOSSOPVSA-N 389.495 4.737 0 40 GJAB Cc1nc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2nc1C 12766066 FAOIJLOQQYHYER-IBGZPJMESA-N 388.496 4.834 0 40 GJAB COc1ccc([C@@H](NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c2ccccc2)cc1 12819018 XRGANJYHLMWXIN-VXKWHMMOSA-N 393.870 4.558 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H]2CCCC[C@@H]2C)cc1 12976421 XSHQWODARKFKDN-JTSKRJEESA-N 389.499 4.856 0 40 GJAB Cc1nc(Nc2nc(C)c(C(=O)Nc3ccccc3Cl)c(C)n2)sc1C 14607522 CFZQNBJKNFXQIX-UHFFFAOYSA-N 387.896 4.816 0 40 GJAB Cc1ccc(C)c(OC[C@@H](O)CN2CCC(c3nc4ccccc4s3)CC2)c1 15346585 XQEXGWPZQTUYJU-IBGZPJMESA-N 396.556 4.532 0 40 GJAB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(C)C 16410043 VJEIMTVHJARCMK-KOMLCTQHSA-N 392.499 4.904 0 40 GJAB COc1cc([C@H]2O[C@@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)cc(OC)c1OC 20228293 LOKJUZWMHIWIBX-UZSYQUHHSA-N 398.455 4.587 0 40 GJAB CCc1c(C)n(CC(=O)c2cccc3ccccc23)c2nc3ccccc3n2c1=O 20674444 HXXARXAKPSBOBC-UHFFFAOYSA-N 395.462 4.556 0 40 GJAB Cc1ccc(-c2n[nH]c(SCc3cc(=O)c4cccc(Cl)c4[nH]3)n2)cc1 21099021 RAWAMSYUCUBGJV-UHFFFAOYSA-N 382.876 4.567 0 40 GJAB CC(C)c1noc([C@H](C)Sc2nc3ccccc3c(=O)n2C2CCCC2)n1 27778883 WUHAAIMSPZPVFE-ZDUSSCGKSA-N 384.505 4.871 0 40 GJAB CCn1nc(C)cc1NC(=O)c1ccc(COc2cccc(Cl)c2Cl)o1 28243967 MRPAKPDNWHFVJL-UHFFFAOYSA-N 394.258 4.943 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1cnn(Cc2c(F)cccc2Cl)c1 28574332 DDHXHJWWPABZOI-UHFFFAOYSA-N 378.234 4.559 0 40 GJAB COc1ccccc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 30809169 MVVWZMVJIVESEY-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB CC(C)(NC(=O)COc1ccccc1Cl)c1ccc(Br)cc1 32400302 KPFUOWWPTUZBFJ-UHFFFAOYSA-N 382.685 4.533 0 40 GJAB Cc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 32754139 YHTRCDHGYPYMOL-NRFANRHFSA-N 389.499 4.716 0 40 GJAB Cn1ccnc1Sc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 32865899 PCDJKANSLJJRNG-UHFFFAOYSA-N 377.391 4.842 0 40 GJAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCc4nnc(-c5ccccc5)o4)cc3c2C1 32945335 SYKSUYZBYHJYIS-AWEZNQCLSA-N 387.439 4.700 0 40 GJAB Cc1ccccc1NC(=O)COc1cccc(-c2nc(-c3ccccc3)no2)c1 33012314 RDZPRXKHXLWJES-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB O=C(Nc1nnc(Cc2ccccc2)o1)NC(c1ccccc1)c1ccccc1 38551179 ZAVIXGDYYQESQR-UHFFFAOYSA-N 384.439 4.572 0 40 GJAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(Cl)cc2)c1 40267739 GSRXLWCLAGDGNN-OAHLLOKOSA-N 383.835 4.667 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 52773091 XUTYTPGDYZWQOH-LJQANCHMSA-N 380.488 4.608 0 40 GJAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)o1 57658447 IGHXXJQSWJHTFC-PGRDOPGGSA-N 380.532 4.638 0 40 GJAB O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1F 67296069 LSOGASWRCKPGMM-NKFKGCMQSA-N 383.379 4.652 0 40 GJAB Cc1cc(N)c2oc(-c3cc(I)ccc3Cl)nc2c1 70461436 XJOJWSOLYQYXOD-UHFFFAOYSA-N 384.604 4.643 0 40 GJAB O=C(C(c1ccccc1)c1ccccc1)N1C[C@@H](n2cccn2)Cc2ccccc21 78949724 TUEGQASTBUIMGG-QHCPKHFHSA-N 393.490 4.846 0 40 GJAB COc1ccc(C2=CCN(C(=O)N[C@@H](C)c3ccc(Cl)s3)CC2)cc1 84651708 RMLFAIAJPPFHND-ZDUSSCGKSA-N 376.909 4.970 0 40 GJAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1cccc(C(F)(F)F)c1 90613619 DZLZCNCPJPIYQC-INIZCTEOSA-N 397.443 4.840 0 40 GJAB CC1(C)[C@@H](OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)[C@]2(C)CC[C@@H]1C2 100831777 RLOYQHMWSVMPSX-VWBWNGLSSA-N 385.592 4.533 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)n1)c1cc(-c2ccncc2)nc2ccccc12 101825248 MJDKZCORLMRJGC-UHFFFAOYSA-N 394.356 4.963 0 40 GJAB CCCc1nn(-c2nc3ccccc3s2)c(O)c1/C=C/NCc1ccccc1 102864696 CUHXEISPEXGZEX-BUHFOSPRSA-N 390.512 4.901 0 40 GJAB C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 104725771 LONUFQNZKLVHEF-DVZHBHJUSA-N 395.400 4.585 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)ccc1Cl 219609545 YZVXKEXMYUFJRY-QGZVFWFLSA-N 396.270 4.966 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 222844022 NOYCBHVXXAZQKH-CABCVRRESA-N 388.895 4.583 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 223701794 VGGBCOFOLFYKHA-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3OCC)o2)cc1 224858905 RWWNGFRVRADONN-UHFFFAOYSA-N 380.444 4.710 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3c(C)cc(C)cc3C)o2)c(OC)c1 224872196 FUJQWDOPWHIBLK-UHFFFAOYSA-N 394.471 4.855 0 40 GJAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(C)c1 224892776 WEJWRYGEXCSXHW-LJQANCHMSA-N 386.495 4.976 0 40 GJAB CN(c1cccc(Br)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929326 DYZXNBLAUMFTDB-UHFFFAOYSA-N 395.105 4.581 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Br)cc2)cc1C 225789276 JAOVFELXDVBQFD-AWEZNQCLSA-N 393.350 4.820 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OCC)c2)CCCCC1 225851499 DRMSJGBGCDWLFQ-UHFFFAOYSA-N 391.508 4.719 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2cc(C)c3nc(N)sc3c2)cc1Cl 226311399 SQRWWVONRZROMH-UHFFFAOYSA-N 382.272 4.755 0 40 GJAB CC(C)(C)OC(=O)N1CCC2(CCO[C@@H]3c4ccccc4OC(C)(C)[C@H]32)CC1 257202816 ANOBYIFCGHCBIR-MOPGFXCFSA-N 387.520 4.953 0 40 GJAB CCN(C(=O)CSc1nc(C)cc(-c2ccc(OC)cc2)n1)c1ccccc1 408546173 DTUPHUHXXNARFW-UHFFFAOYSA-N 393.512 4.606 0 40 GJAB CCc1ccccc1N1C[C@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 408671982 USHJXFZPOKUJSA-JOCHJYFZSA-N 399.490 4.798 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccc2ncsc2c1 675008410 WSECTJHEXJLARZ-CQSZACIVSA-N 386.523 4.550 0 40 GJAB COc1ccc(-c2nc(CCNC(=O)c3cc(Cl)cc(Cl)c3)co2)cc1 1542652698 KXRHKRMJJNZCBP-UHFFFAOYSA-N 391.254 4.630 0 40 GJAB CC1(C)C[C@]2(CCCN2C(=O)c2cccc(F)c2F)CN1c1ccc(F)cc1 1615125202 ZWNUPURMAXKIMU-JOCHJYFZSA-N 388.433 4.768 0 40 GJAB Cc1ccc(C(C)C)cc1OC(=O)c1ccccc1I 683041 NZBIGDUPGOJYOQ-UHFFFAOYSA-N 380.225 4.942 0 40 GJAB Cc1ccc(NC(=O)[C@H](C)Sc2ncnc3sc4c(c23)CCCC4)cc1 853649 SSQAYKACMAIZSZ-ZDUSSCGKSA-N 383.542 4.998 0 40 GJAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1cccnc1 1355087 BREUVOQCJDXGRC-UHFFFAOYSA-N 377.419 4.580 0 40 GJAB CC(C)c1ccccc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 1909305 PLTDYVOGKNSDEY-UHFFFAOYSA-N 378.472 4.605 0 40 GJAB CCOC(=O)c1c(C)nn2c1N[C@@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F 2279187 WQNJTZOQAWCSIM-OLZOCXBDSA-N 387.789 4.682 0 40 GJAB O=C(CCc1nc2ccccc2s1)OCc1nnc(-c2ccc(Cl)cc2)o1 2660650 ZUGPDDVSUXEKLI-UHFFFAOYSA-N 399.859 4.676 0 40 GJAB Cc1c(C2=CC[C@@H](C)CC2)c2ccccn2c1C1=NS(=O)(=O)c2ccccc21 3237137 ZYTWDOTYCBQWFK-OAHLLOKOSA-N 390.508 4.991 0 40 GJAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)c1ccccc1 4125060 DAHAMHYTDZZKBE-UHFFFAOYSA-N 380.517 4.502 0 40 GJAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NCc1cccs1 5212834 VUECITBQKCSYPA-UHFFFAOYSA-N 397.550 4.828 0 40 GJAB Cc1cc(C)cc(-c2nnc(S[C@H](C)C(=O)NCCC3=CCCCC3)o2)c1 5219465 ARPAXTORQOXIMU-MRXNPFEDSA-N 385.533 4.841 0 40 GJAB COc1ccc(Oc2cc(C[S@](=O)c3ccc(Cl)cc3)nc(C)n2)cc1 5423508 WMHXTLKDPNZPLY-AREMUKBSSA-N 388.876 4.547 0 40 GJAB CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc2c1CCCC2 5474178 GNVSIANNNUJZDK-UHFFFAOYSA-N 377.893 4.638 0 40 GJAB COc1ccccc1C(=O)Oc1c(Cc2ccccc2)c(=O)oc2ccccc12 5478749 FLKOGYALSGBUBG-UHFFFAOYSA-N 386.403 4.612 0 40 GJAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)o2)c1 5903014 KCFBDKFNOCEFGI-UONOGXRCSA-N 385.464 4.542 0 40 GJAB CCc1ccc(-c2csc(NC(=O)COc3cccc(C(C)=O)c3)n2)cc1 6220639 IJCFIEUHZOQKCW-UHFFFAOYSA-N 380.469 4.593 0 40 GJAB CCc1cccc(C)c1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 6543905 AFBHBLPSBOGGOI-UHFFFAOYSA-N 387.479 4.871 0 40 GJAB CSCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2[nH]1 6648955 ZASBTLOJSIQQFE-NAVXVDNBSA-N 383.561 4.690 0 40 GJAB CN(C)C1(CNC(=O)c2ccc(-c3nc4ccccc4s3)o2)CCCCC1 6941424 VBTQNARORRSRRY-UHFFFAOYSA-N 383.517 4.551 0 40 GJAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 7080019 UGGKLUZCQBQZSK-INIZCTEOSA-N 398.503 4.821 0 40 GJAB O=C1c2ccccc2N[C@H](c2cc(Br)cs2)N1Cc1ccco1 7112808 UMUIYSADDUJZQO-INIZCTEOSA-N 389.274 4.870 0 40 GJAB Cc1ccc(F)cc1NC(=O)C1CCC(C(=O)Nc2cc(F)ccc2C)CC1 7970827 GVEGKRPWFXWPMW-UHFFFAOYSA-N 386.442 4.965 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 8041525 BAEFIVDYNWIQEX-LIRRHRJNSA-N 388.895 4.664 0 40 GJAB O=C(Cc1cccc2ccccc12)Nc1ccnn1Cc1cccc(Cl)c1 8184936 RJPQATWADNJLGS-UHFFFAOYSA-N 375.859 4.919 0 40 GJAB C/C=C/c1ccc(OCC(=O)Nc2ccccc2Br)c(OC)c1 8723949 BJZFZPHGPYNDCX-ZZXKWVIFSA-N 376.250 4.508 0 40 GJAB CCCCNc1nnc(SCC(=O)Nc2c(C)cc(C)cc2Cl)s1 8753281 PYPAFPUUVVBOEE-UHFFFAOYSA-N 384.958 4.751 0 40 GJAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2cccc3ccccc23)CC1 9053016 FHMWCUNCMVBQGZ-UHFFFAOYSA-N 387.479 4.706 0 40 GJAB Cc1cccc(NC(=O)Nc2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)c1 9318514 NMTQXEMBLCNIKZ-AWEZNQCLSA-N 380.473 4.587 0 40 GJAB O=C(NCCCCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 9451099 VAYBBKOTNICFAM-UHFFFAOYSA-N 396.494 4.687 0 40 GJAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(CN2CCCC2)cc1 10332617 OGIYFFLVAIINJE-UHFFFAOYSA-N 388.964 4.599 0 40 GJAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1F 10908305 HNNZBHYKEVPPEX-UHFFFAOYSA-N 389.405 4.748 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 11517119 MXLSLMXNKUJNAF-UHFFFAOYSA-N 377.396 4.511 0 40 GJAB CCn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)on2)cn1 12186589 MVVKRLGPOMIPHN-NRFANRHFSA-N 380.492 4.684 0 40 GJAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)Cc1ccc2ccccc2c1 12522020 DFOHEJROJGTERW-INIZCTEOSA-N 384.487 4.544 0 40 GJAB CCCc1n[nH]c(=S)n1CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC 12554031 MJGQRDJCQIWERY-UHFFFAOYSA-N 393.516 4.660 0 40 GJAB CCn1c(SCc2ccc(C(N)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 12692830 ALODIJKIZKBNEP-UHFFFAOYSA-N 394.544 4.654 0 40 GJAB O=C(c1ccc(Br)cc1)N1CCC(CCc2ccc(O)cc2)CC1 12814848 QEKDQPGFJYOIKO-UHFFFAOYSA-N 388.305 4.640 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1 12994152 JQJLYTWVKLENTD-GFCCVEGCSA-N 393.270 4.526 0 40 GJAB CCCc1nc2ccccc2n1CC(=O)N(COC)c1c(CC)cccc1CC 13648469 YOTPQNDALKPHRN-UHFFFAOYSA-N 393.531 4.751 0 40 GJAB COc1ccc(CN(Cc2ccncc2)Cc2ccccc2Cl)c(OC)c1 13989837 PTJAXAQLKSAGSB-UHFFFAOYSA-N 382.891 4.955 0 40 GJAB Cc1ccc(-c2nnc(SCc3nc(-c4ccc(C)c(F)c4)no3)n2C)cc1 14196458 SWOUBVYUUXZLNF-UHFFFAOYSA-N 395.463 4.580 0 40 GJAB O=C(NCCSc1ccc(Br)cc1)c1cccc2cccnc12 14233331 KPDCVJKOHIZKNU-UHFFFAOYSA-N 387.302 4.519 0 40 GJAB CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 16643655 WTMHVJRSMSSCHY-KRWDZBQOSA-N 379.504 4.867 0 40 GJAB O=C1O[C@@](c2ccccc2)(c2cc(Br)ccc2O)c2ccccc21 16969483 WPSPHXZZWGJJQK-HXUWFJFHSA-N 381.225 4.617 0 40 GJAB Cc1c(C(=O)N2CC[C@@H](c3nc(C)n4c(C)csc34)C2)[nH]c2ccc(F)cc12 19240498 QAGHMPMYMNUUGU-CQSZACIVSA-N 396.491 4.571 0 40 GJAB Fc1ccccc1CN(CCCn1ccnc1)Cc1cnn(C2CCCCC2)c1 19348705 ZZMQZDKEMSXDCT-UHFFFAOYSA-N 395.526 4.816 0 40 GJAB COc1ccc([C@H](NC(=O)C2(c3cc(C)cc(C)c3)CCOCC2)C2CC2)cc1 19662077 NVILLEUEQNKEHH-HSZRJFAPSA-N 393.527 4.628 0 40 GJAB CC[C@H](NC(=O)c1cc2cc(Cl)ccc2nc1C)c1c(C)nn(CC)c1C 19666053 BZTGYIBSFNBYHD-SFHVURJKSA-N 384.911 4.911 0 40 GJAB Cc1cc(NC(=O)CSc2ccccc2)n(-c2nc3ccccc3s2)n1 21684540 ASJSMVVUCYCTJV-UHFFFAOYSA-N 380.498 4.521 0 40 GJAB Cc1nn(Cc2ccccc2)c(-n2cnc3ccccc3c2=O)c1-c1ccccc1 22607288 COELQXRQJWFJTI-UHFFFAOYSA-N 392.462 4.606 0 40 GJAB COc1ccc2c(c1)CCCN2C(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c12 24876012 PEUZFXQVUKSOCT-UHFFFAOYSA-N 393.336 4.899 0 40 GJAB O=C(COc1ccccc1Cl)Nc1ccccc1NC(=O)c1ccccc1 25878842 ZVGIVOMUWNYERL-UHFFFAOYSA-N 380.831 4.610 0 40 GJAB CC(C)NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl 27240013 GAQTXYFMZVRPNG-UHFFFAOYSA-N 379.287 4.703 0 40 GJAB CCc1ccc(CN(C(=O)COc2ccccc2Cl)c2ccccn2)cc1 27664226 ROACSQCBUMKZTH-UHFFFAOYSA-N 380.875 4.910 0 40 GJAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1Cc1ccccc1 27978229 FAIHCSCFKZGNAU-NRFANRHFSA-N 389.451 4.802 0 40 GJAB Cc1nn(Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)o2)c(C)c1Cl 27981207 RUEWNWYJQFTELK-SFHVURJKSA-N 383.879 4.602 0 40 GJAB CCOc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 28579252 MLIJJVBFLQMDGQ-UHFFFAOYSA-N 381.497 4.789 0 40 GJAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(F)c1 37208971 XXGGPWNPZFTBLO-HXUWFJFHSA-N 386.517 4.843 0 40 GJAB CC(=O)c1cn(CCC(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc12 40287715 MJNYNDDDVBXRPK-UHFFFAOYSA-N 388.511 4.715 0 40 GJAB C[C@H]1CCC[C@H](n2ccc3c(cnc4c(-c5ccc(F)cc5)cnn43)c2=O)[C@@H]1C 40396592 KZAQLJAAZKBOPK-MDOVXXIYSA-N 390.462 4.848 0 40 GJAB CCCOc1cccc(C(=O)N(Cc2c(C)nn(C)c2C)c2ccccc2)c1 46086393 PCYNJLVUEBIEHB-UHFFFAOYSA-N 377.488 4.673 0 40 GJAB Cc1ccc2c(Nc3ccc4c(c3)CCC4)c(C(=O)N3CCCCC3)cnc2n1 48990371 NRMRLAOXUZJUGF-UHFFFAOYSA-N 386.499 4.797 0 40 GJAB O=C(c1ccccc1)C1CCN(C(=O)c2[nH]c3ccc(F)cc3c2Cl)CC1 56321019 NQFYYYSYNHMVKC-UHFFFAOYSA-N 384.838 4.696 0 40 GJAB O=C(CN1CCCC[C@H]1c1nc2ccccc2s1)NCCC1=CCCCC1 58160803 SBEOMOKTUZJPCE-IBGZPJMESA-N 383.561 4.830 0 40 GJAB CCCCCn1c(SCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 67259007 KIPJLYYDDYMYKP-UHFFFAOYSA-N 382.485 4.608 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1ncc(-c2ccc(Br)cc2)[nH]1 71973394 SEJWRHUDDTVGHP-OAHLLOKOSA-N 392.297 4.911 0 40 GJAB CCc1nnc(Nc2cccc(C3CCN(CCc4ccccc4)CC3)n2)s1 72376131 RANFQZRVSNWEJO-UHFFFAOYSA-N 393.560 4.661 0 40 GJAB O=C(Cc1cc(F)c(F)cc1F)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96232728 OXQIJHPFWFVBTJ-KRWDZBQOSA-N 392.808 4.975 0 40 GJAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@@H]2c2ccc(F)cc2)CCC1 102641251 SLEZNPUFOXUMPK-GOSISDBHSA-N 375.403 4.931 0 40 GJAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c(Br)c1 218867698 BIZOVEIPONKCCA-HNNXBMFYSA-N 390.321 4.885 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN(C)c1ccccc1 219391810 MMILFLKYMDPSDB-IBGZPJMESA-N 376.953 4.853 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccco1 222599018 AEKLGYZTCBXENB-IWMITWMQSA-N 392.528 4.731 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)NC(C)(C)C 223494331 ZXFLCZFPTKYTHB-MRXNPFEDSA-N 387.351 4.815 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cccc(OC(C)C)c1 223850967 IZUSMWSSPCKBSQ-HSZRJFAPSA-N 381.516 4.826 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 224850122 VBUWLTSKSRDBPE-DEOSSOPVSA-N 394.559 4.763 0 40 GJAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCCC1 224929756 RIIGFQMZWDNQFY-ZDUSSCGKSA-N 385.335 4.569 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225107980 CUYUQHJRGZUVLF-OAHLLOKOSA-N 390.892 4.532 0 40 GJAB Cc1cccnc1NC(=S)NCCSCc1ccc(Cl)cc1Cl 225343098 LVZVSNIJTOVDTO-UHFFFAOYSA-N 386.373 4.917 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)ccc1OC 225678363 HIGSQWQFJIZWSL-UHFFFAOYSA-N 381.472 4.631 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1Cl 225866837 DGJWDRMEUVKCLJ-UHFFFAOYSA-N 392.908 4.866 0 40 GJAB O=C(COc1ccccc1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257200646 AEFKHCSXSLZBBB-NRFANRHFSA-N 394.446 4.537 0 40 GJAB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 408673500 WZMFLYNATZZSSD-IBGZPJMESA-N 399.490 4.971 0 40 GJAB CCCN(C(=O)c1cc(C(C)C)oc1C)C1CCN(C(=O)c2ccccc2)CC1 509211782 NRPGVUAVNWGRSU-UHFFFAOYSA-N 396.531 4.868 0 40 GJAB CC(C)(C)OC(=O)N[C@H]1CCCCN1c1ncc(C(F)(F)F)cc1Cl 1075976334 SXPFPAQVVNNERD-GFCCVEGCSA-N 379.810 4.595 0 40 GJAB O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S1 2049286373 WDYXTDJYJKXEJG-UHFFFAOYSA-N 380.252 4.896 0 40 GJAB O=C(Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F 646725 DWSQYAHPLFGQLK-UHFFFAOYSA-N 377.284 4.828 0 40 GJAB O=C(Nc1ccc(NC(=O)c2cccnc2Cl)cc1)c1cccc(Cl)c1 803485 GBEJOTWCFQGPMC-UHFFFAOYSA-N 386.238 4.893 0 40 GJAB Cc1ccc2cc(C)c3nnc(SCC(=O)N4[C@@H](C)CCC[C@H]4C)n3c2c1C 903164 PGSWCYIEIFVXQS-IYBDPMFKSA-N 396.560 4.689 0 40 GJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 986192 DZAWPGZEEKWUFT-UHFFFAOYSA-N 386.542 4.719 0 40 GJAB CCOc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 1368619 FDCPAJMDKGYAQB-SFTDATJTSA-N 393.531 4.793 0 40 GJAB Cc1nn2c(-c3cccc(NC(=O)C4CCCCC4)c3)nnc2c2ccccc12 2265933 COXDWOYZLDGOBL-UHFFFAOYSA-N 385.471 4.772 0 40 GJAB O=C(O[C@@H](/C=C1\CCCC=C1N1CCOCC1)c1ccccc1)c1ccccc1 3226962 FWHGSZPOIDNJLH-FABAWLPWSA-N 389.495 4.911 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 3262190 RMLPSZRZUDNVGS-UHFFFAOYSA-N 379.378 4.933 0 40 GJAB COc1ccc(C(=O)Oc2ccc3cc(Br)ccc3c2)c(OC)c1 3282039 OYDBHFNXNIQJJR-UHFFFAOYSA-N 387.229 4.839 0 40 GJAB CSc1ccc(/C=C/C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 3295010 KFSIIGBTEHLBAI-NTCAYCPXSA-N 397.540 4.792 0 40 GJAB CCSc1nnc2n(-c3ccc([C@H](C)CC)cc3)c(=O)c3ccccc3n12 3565252 KFZSTYDRSAHKTB-CQSZACIVSA-N 378.501 4.659 0 40 GJAB COc1cc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc(OC)c1OC 5019832 DHCGWOLZTMNQMY-UHFFFAOYSA-N 392.864 4.708 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(C)c(C)n1CC(C)C 5152041 RHEZSBOYPMOAJK-AWEZNQCLSA-N 395.956 4.937 0 40 GJAB COc1cccc(NC2=NN=C(c3cc(C)n(Cc4ccco4)c3C)CS2)c1 5156926 RGUAUHRBSMVILP-UHFFFAOYSA-N 394.500 4.674 0 40 GJAB O=c1cc(COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)nc2sccn12 5261903 UXHMBPLHGWHEFR-UHFFFAOYSA-N 392.524 4.803 0 40 GJAB C[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)NC(=O)c1ccc(C(C)(C)C)cc1 5881273 HHQMEXYVYWGYDZ-QGZVFWFLSA-N 394.559 4.830 0 40 GJAB Cc1ccc2c(CSc3nnc(-c4c[nH]c5ccccc45)o3)cc(=O)oc2c1 6028811 NPGHCRIPVVVSLA-UHFFFAOYSA-N 389.436 4.925 0 40 GJAB O=c1c2ccccc2nc(SCc2ccccc2Cl)n1C[C@H]1CCCO1 6067177 YBNSJRVQAVDZBI-OAHLLOKOSA-N 386.904 4.521 0 40 GJAB CC(C)(C)SCCNC(=S)Nc1ccc(Br)c(Cl)c1 6363895 LRPWSEANAOPOEJ-UHFFFAOYSA-N 381.792 4.921 0 40 GJAB Cc1ccccc1Cn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 6443956 WKJXEHNBSNAEGT-UHFFFAOYSA-N 375.516 4.632 0 40 GJAB COc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 6623663 FWOFSGVAIHDXDD-PAYQGRNASA-N 391.511 4.603 0 40 GJAB biogenic COc1cc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 6960570 QOXWUSYJSGZYDZ-XFQAVAEZSA-N 395.455 4.546 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)no1 8131481 FKZJHPIVFIBZSK-BRWVUGGUSA-N 385.533 4.759 0 40 GJAB Cc1cc(C(=O)CCC(=O)OCC(=O)c2cccc3ccccc23)c(C)s1 8343193 HUDPPSOACWIBSW-UHFFFAOYSA-N 380.465 4.907 0 40 GJAB O=C(NCCSCc1ccccc1)c1ccccc1C(=O)c1cccs1 8369196 CAEFQANBHBHFJC-UHFFFAOYSA-N 381.522 4.642 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC 8477815 JGJCLYIKFOGJEC-OAHLLOKOSA-N 384.259 4.807 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)CCC(=O)N3CCCCCC3)ccc21 9434356 PGWYUMXLCBDJIH-UHFFFAOYSA-N 391.515 4.936 0 40 GJAB CC(C)[C@@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccs1 9796522 ITYNPQJLAZVXGU-GOSISDBHSA-N 377.941 4.630 0 40 GJAB CCCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OCC 10039446 GXFLVLZXAFVMED-UHFFFAOYSA-N 376.836 4.567 0 40 GJAB Cc1cccc(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1 10692463 BCLVXHSHVTWTQG-JOCHJYFZSA-N 384.479 4.803 0 40 GJAB CCn1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1cc2ccccc2o1 10860891 MVPQKYAMEDDZIX-UHFFFAOYSA-N 398.532 4.594 0 40 GJAB O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CNc1ccc(Cn2ccnc2)cc1 12143462 GEJCAVPKPZWEDP-UHFFFAOYSA-N 390.874 4.552 0 40 GJAB COc1cc([C@H]2CC(=O)Nc3ccsc32)ccc1OCCc1ccccc1 12419342 RQWDHRLIDOSOCK-QGZVFWFLSA-N 379.481 4.852 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCCC2)cc1C 12437924 IHASGUQVFIEZLA-UHFFFAOYSA-N 380.513 4.675 0 40 GJAB CCCc1noc([C@H](C)Sc2nccn2-c2ccc(Br)cc2)n1 12525463 JDDIOSUZKAUJSQ-NSHDSACASA-N 393.310 4.824 0 40 GJAB CC(C)[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1)c1ccc2c(c1)OCCCO2 12919878 LVRMASJVGDJBHE-VGOFRKELSA-N 382.504 4.948 0 40 GJAB COc1ccc(Cc2nn(CN(C)Cc3ccc(Cl)cc3)c(=S)o2)cc1 13073784 JCAODEKYUXYFKQ-UHFFFAOYSA-N 389.908 4.548 0 40 GJAB COc1ccc(-c2csc3ncnc(Nc4ccc(N(C)C)nc4)c23)cc1 14241267 YAPURBQAPRALPO-UHFFFAOYSA-N 377.473 4.572 0 40 GJAB N[C@H](Cc1c[nH]c2ccccc12)c1nnc(SC/C=C/c2ccccc2)o1 16033438 BZFKRVLOSUAXLL-AHKGRUIUSA-N 376.485 4.599 0 40 GJAB Cn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)cn1 17078256 IFVLWKUYCPBMSY-UHFFFAOYSA-N 383.377 4.717 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)c2c(C)c(C)sc2n1 17835875 CYKWSVNVISFDHO-UHIISALHSA-N 377.579 4.602 0 40 GJAB Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)c1C 20111823 OBBMQHYXUSFYHN-HXUWFJFHSA-N 380.532 4.543 0 40 GJAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20140100 QMUAZGAKPSJUFQ-UHFFFAOYSA-N 392.194 4.910 0 40 GJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2c(Cl)ccc3nsnc23)cc1 21595521 MQVBBAYSHNYRHN-LLVKDONJSA-N 375.881 4.876 0 40 GJAB Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)no2)cc1 21800514 CWIVOUAPATUVQQ-OAHLLOKOSA-N 379.460 4.749 0 40 GJAB O=C(NCc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 22503179 PULAAGIEGOFXTF-UHFFFAOYSA-N 385.467 4.601 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)c2ccccc2)cc1 22881713 DQXONMNBOKEQOR-UHFFFAOYSA-N 398.384 4.888 0 40 GJAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCCC2)cc1 23109783 DTBSGGQMJHCXOL-UHFFFAOYSA-N 380.513 4.620 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(OCCSc2ccccc2)cc1 30872016 PSIJNIZZVSEEPD-UHFFFAOYSA-N 393.464 4.839 0 40 GJAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc2ccccc2cc1NC(=O)C1CC1 31536796 JFCDRTJMMWAARP-UHFFFAOYSA-N 396.450 4.831 0 40 GJAB CC1CCN([C@@H](CNC(=O)c2cc3cc(F)ccc3[nH]2)c2cccs2)CC1 32755595 BPKRMNUYHXDTHE-IBGZPJMESA-N 385.508 4.572 0 40 GJAB COc1cccc(Nc2c(-c3ccc(OC)c(O)c3)nc3cc(C)ccn23)c1 35616260 BIJBHWGPSDVMEY-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 40104786 LUCDIFLCODNVJD-OAHLLOKOSA-N 385.895 4.801 0 40 GJAB COc1ccc(F)cc1-c1csc(NC(=O)c2cnc(Cl)c(Cl)c2)n1 44542773 JTYKTYYTGGVJLE-UHFFFAOYSA-N 398.246 4.912 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(OC)c(Cl)cc1OC 44946577 KQLKAAVXIVATST-CQSZACIVSA-N 384.259 4.807 0 40 GJAB CC1CCN([C@H](CNC(=O)Nc2ccc(-c3nccs3)cc2)C(C)C)CC1 48262789 SNCKIDNZEJVDLE-LJQANCHMSA-N 386.565 4.688 0 40 GJAB Cc1cc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c2ccc(F)cc2n1 48291106 YJOFZVCJDAQKIQ-QHCPKHFHSA-N 385.442 4.939 0 40 GJAB CCOc1ccc(C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)cc1 57598335 HDYGRLJSYFZAFA-UHFFFAOYSA-N 375.424 4.551 0 40 GJAB O=c1c2ccccc2nc(SCc2cc(F)cc(F)c2)n1-c1ccccc1 67259763 PZYDCYTZSGOFLB-UHFFFAOYSA-N 380.419 4.956 0 40 GJAB C[C@@H](c1ccccc1F)N(C(=O)NC1CCN(Cc2ccccc2)CC1)C1CC1 78702658 JYMMRLAJKXGKHO-SFHVURJKSA-N 395.522 4.725 0 40 GJAB CCc1oc2ccccc2c1/C=C/C(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1 89280210 GLCVKXPRZOCQAN-NASNMAFHSA-N 381.497 4.623 0 40 GJAB Fc1cccc(Cl)c1[C@H](CNc1nccc(C(F)(F)F)n1)N1CCCC1 89768032 LKDAOLCBPQYJKM-ZDUSSCGKSA-N 388.796 4.537 0 40 GJAB O=C(N[C@H](CCCO)c1ccccc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 89826208 MMZSDAKWUXKTFY-GUDVDZBRSA-N 378.299 4.727 0 40 GJAB O=C(CSCC(=O)N(Cc1cccs1)C1CC1)c1ccc(Cl)cc1 97000242 UNWMLLXPWVAEDJ-UHFFFAOYSA-N 379.934 4.509 0 40 GJAB CC(=O)[C@@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@]2(C)C(=O)c1ccc(C)cc1 101796426 COLOXOVVOKQLDC-GPUOULLFSA-N 384.431 4.629 0 40 GJAB Cc1cccc(N2C(=O)/C(=C\Nc3ccc(Cl)cc3)c3ccccc3C2=O)n1 102328936 WNKVYZYCCKZKBA-UYRXBGFRSA-N 389.842 4.683 0 40 GJAB COc1ccc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)c(OC)c1 102733661 FNXFLIOUCSAWOU-UHFFFAOYSA-N 393.468 4.594 0 40 GJAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccccc1F 214380907 KSUOGVIMZMEVER-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 223097917 VFRFBPKSZXGESW-QHCPKHFHSA-N 394.559 4.604 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1ccco1 223365612 XHBIYLJQMOELIU-SFTDATJTSA-N 392.528 4.764 0 40 GJAB CCCO[C@]1(C(=O)Nc2ccc(OCCN(CC)CC)cc2)CCC[C@H](C)C1 225662607 WNNOTGYNUGVOHG-WMZHIEFXSA-N 390.568 4.721 0 40 GJAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 225874002 JOLUCIYUFNTGPA-SFHVURJKSA-N 383.557 4.691 0 40 GJAB Cc1ccc(-c2ccc(C(=O)Nc3cc(N)ccc3F)o2)c(Br)c1 226764485 WDHBWZUOAHMENF-UHFFFAOYSA-N 389.224 4.991 0 40 GJAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3[C@H](C)c3ccncc3)cc2n1 257302340 SCNVTXUZJBSCEH-DYVFJYSZSA-N 389.425 4.604 0 40 GJAB Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c2)cc1 408722965 YLAZIXMAESDPOH-DVECYGJZSA-N 390.483 4.563 0 40 GJAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OC(C)C)cc2)S1 408815700 UAPDXFLWCPEUOW-UHFFFAOYSA-N 383.493 4.554 0 40 GJAB COc1cccc(/C=C2\SC(=N)NC2=O)c1OCc1cccc2ccccc12 408880919 JKAOEAAFHLMWJR-UNOMPAQXSA-N 390.464 4.566 0 40 GJAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)C2)c1 585271279 VUOWLNUDRNOZMW-QFIPXVFZSA-N 384.907 4.536 0 40 GJAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4Cl)cc3n2)cc1 828056 RATXQNGWNOVJQZ-UHFFFAOYSA-N 392.846 4.725 0 40 GJAB Fc1ccc(NCc2nnc(SCc3ccccc3)n2C[C@@H]2CCCO2)cc1 899981 IQYAGCYZESHHMF-IBGZPJMESA-N 398.507 4.501 0 40 GJAB CCc1ccccc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 2406642 NLJVHULHCOGJQW-UHFFFAOYSA-N 386.521 4.506 0 40 GJAB NC(=O)c1ccccc1NC(=O)c1sc2cccc(OC(F)F)c2c1Cl 2792723 PYQNNLODFJECOF-UHFFFAOYSA-N 396.802 4.507 0 40 GJAB C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@@]21CCC(=O)O1 3882031 QZDICFWNRZAVJB-KJPOAIDHSA-N 386.532 4.768 0 40 GJAB biogenic CCOc1ncccc1C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C 4063069 OGLOBSQSEXJJLR-UHFFFAOYSA-N 390.468 4.713 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2Cl)s1 4072371 PHBVTZBMGLCOSI-UHFFFAOYSA-N 380.256 4.529 0 40 GJAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 4248112 UGXFUCFKGIELRL-QFIPXVFZSA-N 385.419 4.596 0 40 GJAB Cc1ccc(C(=O)[C@@H](C)OC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 4399847 YYZXJZLPQIWXME-GOSISDBHSA-N 389.451 4.932 0 40 GJAB Cc1ccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1Cl 4745146 QDDZCNWYZCZXPB-UHFFFAOYSA-N 383.706 4.918 0 40 GJAB CCNc1ccc(C(=O)OCC)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 4868197 BGTZTCXRBQLBBY-UHFFFAOYSA-N 395.381 4.958 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 5015852 STKRLIYCYZQEHM-UHFFFAOYSA-N 398.846 4.981 0 40 GJAB Cc1ccc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 5137340 GRQCFNPTUWDYNJ-UHFFFAOYSA-N 386.904 4.510 0 40 GJAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C(C)C)cc2)NC(=S)N1 5193591 DHCZPOCKUNBTKZ-HXUWFJFHSA-N 379.529 4.550 0 40 GJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCCC2)c(OC)c1 5446507 JTVHIFMYLQABEJ-HXUWFJFHSA-N 378.472 4.908 0 40 GJAB CCCCSc1nc(N[C@@H](CC)CO)c2c3c(sc2n1)COC(C)(C)C3 5477683 QMPAUPFKLPTXEZ-LBPRGKRZSA-N 395.594 4.618 0 40 GJAB NC(=S)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 5714636 YQWXSPMWCMMZSR-WCUNGBOWSA-N 383.467 4.805 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 6128497 CZGPDJPEYFHNDL-GOSISDBHSA-N 388.467 4.504 0 40 GJAB Cc1cc(=O)oc2cc(NC(=S)N3c4ccc(F)cc4CC[C@@H]3C)ccc12 6399716 CUJBDAGZRSRBFP-ZDUSSCGKSA-N 382.460 4.779 0 40 GJAB COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OC)cc3)c2C)cc1 6921333 LVUVPWASMQDOQA-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(F)cc1F 7095754 GUUUBXWNDRPJFU-UHFFFAOYSA-N 382.366 4.504 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1Br 8391516 VWYZLHHEOHUTQL-LLVKDONJSA-N 375.291 4.892 0 40 GJAB COc1ccc2cc(CN(C(=O)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 8586247 HXPQOMNNFINNPP-UHFFFAOYSA-N 391.471 4.513 0 40 GJAB Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 8846091 SCSWWSFHPSKBNZ-JOCHJYFZSA-N 396.446 4.550 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1 9194380 GCNDHHSYLPMVIS-UHFFFAOYSA-N 393.439 4.619 0 40 GJAB COc1cccc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)c1 9329301 YWCNPQNFNZQAID-UHFFFAOYSA-N 388.471 4.810 0 40 GJAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1 9582576 KUDFMPVPCFHMMZ-INIZCTEOSA-N 395.528 4.801 0 40 GJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 10100768 KJVKGDHOIXHUDT-MRXNPFEDSA-N 388.964 4.733 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)ccc1OCC(C)C 10926701 HHCGYKCLTMPQFV-UHFFFAOYSA-N 396.487 4.721 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)N(c3ccccn3)[C@@H](C)c3ccco3)cc2)n1 12537142 SHZILMGBBKELNT-SFHVURJKSA-N 386.455 4.885 0 40 GJAB Cc1cc(-c2cc(C(=O)Nc3nc4ccccc4[nH]3)c3c(C)noc3n2)c(C)o1 12627800 FOSJBIQSGOYBQZ-UHFFFAOYSA-N 387.399 4.537 0 40 GJAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1N1CCN(C)CC1 12638068 UWTARHIKSPLSPB-UHFFFAOYSA-N 399.538 4.517 0 40 GJAB O=C(CCSCc1cc(Cl)c2c(c1)OCO2)NCc1ccccc1Cl 12907999 WXRRTYAJFPUCQK-UHFFFAOYSA-N 398.311 4.662 0 40 GJAB Clc1ccc2nc(CSc3nnc(-c4c[nH]c5ccccc45)o3)cn2c1 13124378 OUDOYXWEHBGNAM-UHFFFAOYSA-N 381.848 4.811 0 40 GJAB CCOc1ccccc1CCCNC(=O)CCSc1ccc(Cl)cc1 13612629 UDOTYFPZZJWOSD-UHFFFAOYSA-N 377.937 4.970 0 40 GJAB COc1ccc(/C=C/c2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13724053 GDGQRXOMOABGCK-MDWZMJQESA-N 385.452 4.580 0 40 GJAB CC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 14211213 DGTPTLIRXZIAHE-UHFFFAOYSA-N 383.835 4.525 0 40 GJAB COc1ccccc1CNCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 15581268 KSTIEHXACLJLRQ-UHFFFAOYSA-N 387.458 4.977 0 40 GJAB O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccc(Cl)cc1 15880567 NVSQIKYHUBHVPE-UHFFFAOYSA-N 386.864 4.622 0 40 GJAB CC(C)n1c(SCc2cccnc2)nnc1[C@@H]1CCCN(Cc2ccco2)C1 19454624 TYYIDXYYJUXZQL-GOSISDBHSA-N 397.548 4.519 0 40 GJAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20241970 LPQYWDNCJLPYGJ-GOSISDBHSA-N 396.556 4.963 0 40 GJAB COc1ccc(CCNC(=S)Nc2cccc(-c3csc(C)n3)c2)cc1 23103089 HERJCALECAYBSF-UHFFFAOYSA-N 383.542 4.656 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2c(F)cccc2s1 24395472 DFGLRHDTBNNAFA-UHFFFAOYSA-N 379.460 4.557 0 40 GJAB O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cccc2cn[nH]c12 25669072 VFCPSVJEEZYLIB-ZUTUBDCJSA-N 379.463 4.590 0 40 GJAB COc1ccccc1-c1nnc(SCc2csc(Br)c2)o1 32912841 KVQRUWBDIFDMOP-UHFFFAOYSA-N 383.292 4.862 0 40 GJAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)C[C@@H](c1ccc(F)cc1)OC2=O 33026889 GQOKMRQKXNAJMC-FQEVSTJZSA-N 379.362 4.671 0 40 GJAB CCCN(CCC)CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O 33286108 IZNQQDPIMUBZDL-PTNGSMBKSA-N 397.338 4.565 0 40 GJAB CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 35360924 PPELYUTTZHLIAZ-GWOYNNJLSA-N 387.520 4.612 0 40 GJAB biogenic Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccccc1 45890896 LMZYMKLNMYHEMT-UHFFFAOYSA-N 398.098 4.663 0 40 GJAB CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC(F)(F)F)c1 49004488 QSPWFXUJHIRXJW-UHFFFAOYSA-N 391.349 4.757 0 40 GJAB COc1ccccc1N1CC[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 58407594 DFDRMHFZEGHEDI-GFCCVEGCSA-N 385.817 4.701 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72348680 KUCLNVDQHYICLF-LJQANCHMSA-N 392.449 4.970 0 40 GJAB O=C(COc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72357776 ICHMHHXNWHRDDW-HSZRJFAPSA-N 390.458 4.554 0 40 GJAB COc1cccc(NC2=NC(=O)S/C2=C\c2c(Cl)nc3sccn23)c1 72401433 BQNVAQZOLDUTMS-WQLSENKSSA-N 390.877 4.776 0 40 GJAB C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 95963497 MKRHXCJVRQQFHY-LHSJRXKWSA-N 385.847 4.593 0 40 GJAB Fc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(Cl)s3)c[nH]2)cc1 96296168 MGMZLRLPUYVFOC-HNNXBMFYSA-N 377.872 4.504 0 40 GJAB biogenic,in-vitro COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3cccs3)C[C@H]21 100747971 GEGZPNAYWBGVQD-IIBYNOLFSA-N 384.501 4.586 0 40 GJAB biogenic CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 216321084 XIJZKWGXBBCVFP-SJORKVTESA-N 382.504 4.744 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccccc2F)ccc1Cl 222850376 GAIHUHGQQUAZND-AWEZNQCLSA-N 381.900 4.604 0 40 GJAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(Cl)cc1F 223513453 MHINSHPRKQUZIU-UHFFFAOYSA-N 382.822 4.661 0 40 GJAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1 223784130 QQFNAAPYIMWVBO-WOJBJXKFSA-N 379.485 4.559 0 40 GJAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224406209 FEBKDWZYTJDPQS-WOJBJXKFSA-N 380.492 4.780 0 40 GJAB CC(C)(C)c1ccccc1O[C@H](Cc1cccc(Br)c1)C(=O)O 225063190 CJWGZILZLIGLOO-QGZVFWFLSA-N 377.278 4.821 0 40 GJAB Cc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)n1 225343204 QYZMXTSVPIGEPB-UHFFFAOYSA-N 386.373 4.917 0 40 GJAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCCCC2)cc1 225542171 LNWOWCWSMUZCNG-UHFFFAOYSA-N 380.532 4.776 0 40 GJAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225594824 IZKCBVKWJREBCN-SFHVURJKSA-N 383.557 4.691 0 40 GJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C)CC2)n1 257299689 RRBUUIJRULOWSN-LFGUQSLTSA-N 392.547 4.708 0 40 GJAB COc1c(F)c(F)c(C(=O)Nc2nc3ccc(Cl)cc3s2)c(F)c1F 408621305 LLEZPXKTXYDJGK-UHFFFAOYSA-N 390.745 4.767 0 40 GJAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(CC)cc1 409099996 OYNLLQHYOKVEGK-UHFFFAOYSA-N 394.544 4.572 0 40 GJAB O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCc2ccc(Br)cc21 503109336 QVTQODGICPIJIC-QGZVFWFLSA-N 386.289 4.546 0 40 GJAB CCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 643871 AZJWJWVHJSFBQK-OAHLLOKOSA-N 384.545 4.901 0 40 GJAB Cc1cccc(C2=N/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)c1 707134 WFWABJDSCHMCFJ-RCCKNPSSSA-N 383.403 4.559 0 40 GJAB COc1cc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C)cc(OC)c1 902929 KTXCJTDNGLRWRX-UHFFFAOYSA-N 396.512 4.908 0 40 GJAB CCc1nc(SCC(=O)Nc2nc3ccccc3s2)c2ccccc2n1 1332554 DJKFKBLORJPGGD-UHFFFAOYSA-N 380.498 4.533 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2cccc(Cl)c2)OC1=O 2317906 RCTOMCNOOHKFEK-BOPFTXTBSA-N 398.249 4.832 0 40 GJAB CC(C)(C)c1ccc(C(=O)NCCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 2751744 LUUACYBTKIXTRU-UHFFFAOYSA-N 394.559 4.832 0 40 GJAB CCCCc1ccc(NC(=O)COc2ncnc3sc4c(c23)CCCC4)cc1 3272183 UNUOMNJUVWOPEU-UHFFFAOYSA-N 395.528 4.930 0 40 GJAB O=C(OCCOc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)cc1 3343031 REAPPOYVYUIRAP-UHFFFAOYSA-N 380.827 4.807 0 40 GJAB CCC[C@H](C)NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 4588316 FTCJBFYUYWTOBX-AWEZNQCLSA-N 383.492 4.833 0 40 GJAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(O)c1 4652743 MSMNYVHIMRGVNV-MOUTVQLLSA-N 395.458 4.635 0 40 GJAB CCOc1cccc(CNC(C)(C)CO)c1OCc1ccc(Cl)cc1Cl 4657407 OZVWXCNOLWRLNP-UHFFFAOYSA-N 398.330 4.832 0 40 GJAB COc1cccc(-c2cn3cc(-c4cccc(Br)c4)nc3n2C)c1 4678376 BJUZJHDSBHUUAH-UHFFFAOYSA-N 382.261 4.778 0 40 GJAB CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 4698592 IOTUMJOUPMRWLR-IBGZPJMESA-N 394.515 4.864 0 40 GJAB COC(=O)c1ccc(CSc2nnc(Nc3ccc(C)c(C)c3)s2)o1 4835559 GSFGYYZRAZSHFV-UHFFFAOYSA-N 375.475 4.570 0 40 GJAB Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)ccc12 6421222 WSVMSUHSWFENQG-LLVKDONJSA-N 392.238 4.814 0 40 GJAB Cc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)c(Cl)c1 6472944 OITYMMCLZQTAEB-UHFFFAOYSA-N 397.891 4.684 0 40 GJAB COc1ccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Cl)cc1 6748149 SYAYLOJSNXYQTQ-UHFFFAOYSA-N 399.903 4.992 0 40 GJAB Cc1cc2sc(NC(=S)NC(=O)c3ccc(F)cc3)nc2cc1Cl 6826401 MFBVRENCRGXAEI-UHFFFAOYSA-N 379.869 4.524 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(Cl)ccc3n2)c(C)c1 6844303 OTASGERGIITUID-UHFFFAOYSA-N 380.875 4.644 0 40 GJAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cnc2ccccc2n1 7269319 ICPWYGXVCQHNIC-UHFFFAOYSA-N 380.860 4.583 0 40 GJAB Cc1ccccc1OCCSc1nc2ccccc2c(=O)n1-c1ccccc1 8571572 OFINKLGCPXOJJA-UHFFFAOYSA-N 388.492 4.865 0 40 GJAB COc1ccc(-c2nn(Cc3ccccc3Cl)c(=O)c3nc(C)sc23)cc1 8955458 NQBIOGYDMPTDBS-UHFFFAOYSA-N 397.887 4.539 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 9376926 YHMKCBDMHLARDL-NJDAHSKKSA-N 396.531 4.888 0 40 GJAB O[C@H](CN1CCc2ccccc2C1)CN1c2ccccc2Sc2ccccc21 9970619 PNPBTSJNYCVQSK-HXUWFJFHSA-N 388.536 4.709 0 40 GJAB O=C(NCCCn1ccc2ccccc21)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 10058114 CZAUVVGRLSLPMQ-MOPGFXCFSA-N 386.417 4.970 0 40 GJAB O=C(Cc1cccs1)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1 10060767 VWLAHVBOFUKARG-LBPRGKRZSA-N 392.933 4.766 0 40 GJAB CC(C)c1nnc(SCC(=O)c2ccc(Cl)cc2)n1Cc1ccco1 10929055 DFMLAMFXKSXWIG-UHFFFAOYSA-N 375.881 4.671 0 40 GJAB CCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 10958944 XKGLCQDPQWYCOQ-UHFFFAOYSA-N 375.350 4.542 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)OCc1ccccc1C(F)(F)F 11123647 YOFNJIUXPBCKLK-UHFFFAOYSA-N 378.375 4.889 0 40 GJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)COc1cccc2ccccc12 12535213 HTDGILXIBQJWAS-UHFFFAOYSA-N 395.409 4.622 0 40 GJAB CCOc1cc(/C=C/C(=O)Nc2cccc(NC(C)=O)c2)ccc1OCC(C)C 13039564 WPAFFPRFFXHEIQ-ZRDIBKRKSA-N 396.487 4.730 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)COc2cc(C)ccc2C(C)C)c(C)c1 13070871 WREPKKPUKKGLJN-UHFFFAOYSA-N 396.531 4.520 0 40 GJAB COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2)c1 13777305 NNMLUWRSIAAVQH-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@H]1CCOc2ccccc21 14780394 LYJUZHNNQHHHFP-KRWDZBQOSA-N 382.847 4.568 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C 14796069 GQYVUCNLILEWJR-UHFFFAOYSA-N 382.504 4.532 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)O[C@H](C)C(=O)c1ccc(F)c(F)c1 14854106 MUUNKBAZSUZKGH-GFCCVEGCSA-N 387.407 4.825 0 40 GJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(Cl)(Cl)Cl 16226989 RLXAVZYFYQMXDV-UHFFFAOYSA-N 385.634 4.812 0 40 GJAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=S)N1 16713879 VWHLDKBFKUBSFX-HXUWFJFHSA-N 394.540 4.520 0 40 GJAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCc1ccccc1F)CO3 19882472 NCUQLPKBIMJYRA-UHFFFAOYSA-N 387.838 4.597 0 40 GJAB C[C@@H](c1ccccc1)N1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCC4 20502521 COKXQOHOOOQDEU-ZDUSSCGKSA-N 381.859 4.848 0 40 GJAB Cc1ccc(-c2c(C(F)(F)F)nn3c(-n4nc(C)cc4C)cc(C)nc23)cc1 21799384 DHJVKJZXVOEVQA-UHFFFAOYSA-N 385.393 4.834 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1cc(F)ccc1Br)O[C@H](C)C2 21837592 PAZZEFKVURAXQU-SNVBAGLBSA-N 394.240 4.563 0 40 GJAB CCc1ccc(-n2ncc(C(=O)NCCC3=CCCCC3)c2-n2cccc2)cc1 22576522 MKXMOSLMFQVXQD-UHFFFAOYSA-N 388.515 4.846 0 40 GJAB Cc1cc(OCn2ccc(C(=O)Nc3cccc4cccnc34)n2)ccc1Cl 27972805 PZKSMSSWLDNMSO-UHFFFAOYSA-N 392.846 4.682 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)cc1Cl 28287027 HQSKPGBZHDONBE-LLVKDONJSA-N 384.819 4.579 0 40 GJAB O=C(Cn1c(-c2ccccn2)nc2ccccc21)Nc1cccc(C(F)(F)F)c1 28539789 VTNWLNWZDZYDPT-UHFFFAOYSA-N 396.372 4.756 0 40 GJAB C[C@H](NC(=O)c1ccccc1OC[C@H]1CCCO1)c1cccc2ccccc12 32491330 ZIFUWYOIXMJPLK-PKOBYXMFSA-N 375.468 4.889 0 40 GJAB Cc1ccc2nc(COc3ccc(C(=O)N(C)Cc4ccsc4)cc3)cn2c1 32903912 RUVMJIAUZVYWNG-UHFFFAOYSA-N 391.496 4.555 0 40 GJAB Cc1nc2cc(NC(=O)c3sc4nc(C5CC5)nc(C)c4c3C)ccc2o1 32909934 BSGAUOHJJIQMRE-UHFFFAOYSA-N 378.457 4.887 0 40 GJAB CC[C@H](C(=O)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccccc1 49030287 ABVZGMOLMDJQEB-PMACEKPBSA-N 392.499 4.596 0 40 GJAB CC(=O)c1ccc(N2CCN([C@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 54582904 RONLCUUGGRIFMZ-OAHLLOKOSA-N 398.457 4.517 0 40 GJAB C[C@@H](N[C@@H](c1ccc(F)cc1)c1cccs1)C(=O)Nc1cc(F)ccc1F 57452027 GZIVWNPYFBUNDP-BLVKFPJESA-N 390.430 4.872 0 40 GJAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2F)cn1 59421544 SYQYOMBUYDKKCX-IBGZPJMESA-N 399.263 4.811 0 40 GJAB O=C(COc1ccccc1-c1ccccc1)Nc1cccnc1N1CCCCC1 65862526 CBRFAPJVVQJXBJ-UHFFFAOYSA-N 387.483 4.756 0 40 GJAB O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1cc2sc3ccccc3c2s1 69739333 BANUGWOLZIUZMR-LLVKDONJSA-N 398.475 4.730 0 40 GJAB Cc1cccc(C)c1OC1CCN(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 78710912 WNHYYEFZCMIMAN-RTWAWAEBSA-N 382.479 4.551 0 40 GJAB Cc1nccn1-c1ccc([C@H](C)Nc2nc(-c3ccncc3)nc3c2CCC3)cc1 79046620 SITUIGCYIGMDCH-INIZCTEOSA-N 396.498 4.695 0 40 GJAB O=S(=O)(Nc1cc(Cl)ccc1F)c1ccc2nc(Cl)sc2c1 84490233 ITIGEUXCKFTRRW-UHFFFAOYSA-N 377.249 4.543 0 40 GJAB O=S(=O)(c1ccc(F)c(Cl)c1)N(CCc1cccs1)Cc1ccoc1 90612405 QNNHGDGHHKDUDQ-UHFFFAOYSA-N 399.896 4.567 0 40 GJAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cccc(Br)c1 96759100 NQPJLAXWHNBGNG-MDWZMJQESA-N 387.302 4.782 0 40 GJAB Clc1cc(CNc2cc3c(cc2Cl)OCCCO3)c2c(c1)COCO2 96997816 UTMPIEHAHNTPOO-UHFFFAOYSA-N 382.243 4.633 0 40 GJAB O=C1[C@@H]2[C@@H]3C[C@H](c4ccccc4)[C@H](C3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 100394316 BTIQDACSUXCHFU-OZGYESRGSA-N 386.278 4.923 0 40 GJAB Cc1ccccc1C(=O)Nc1c(NCc2ccccc2)c2ccccc2oc1=O 101094624 ACFQTBSFLJDNLB-UHFFFAOYSA-N 384.435 4.966 0 40 GJAB CCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 105338771 FRJKPPCPXSHEII-KBPBESRZSA-N 376.294 4.656 0 40 GJAB CCOc1cc(CNc2ccc(OC)cc2)cc(Br)c1OCC 106956726 NPYVFUNBHNRITQ-UHFFFAOYSA-N 380.282 4.867 0 40 GJAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccc2ccccc2c1 222783372 UWBRQRLZTSDZTM-UHFFFAOYSA-N 380.296 4.766 0 40 GJAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccc2c(c1)CCCC2 223060005 JDYOYWWJLZZZTH-LJQANCHMSA-N 393.936 4.657 0 40 GJAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)cc1 223408263 DTOAQOXNXSSAOZ-RTBURBONSA-N 395.553 4.633 0 40 GJAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccccc1Cl 224128127 BTBCRLMUILTWIP-OAHLLOKOSA-N 375.896 4.600 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Nc1cnc(Oc2ccccc2F)nc1 224290332 UHNGJSIBSZYXHN-UHFFFAOYSA-N 388.786 4.714 0 40 GJAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)c1 224521549 JTXUMECSRIAKSU-SFTDATJTSA-N 392.528 4.650 0 40 GJAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225699388 CNHVBZPHIRPUCK-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccc(Br)c(N)c2)o1 226305180 ZAPSSYNDUOWSIV-RYUDHWBXSA-N 377.282 4.694 0 40 GJAB Nc1nc2c(Cl)cc(NC(=O)c3ccc(Br)cc3)cc2s1 226310356 LOQMHJWQKKZFPZ-UHFFFAOYSA-N 382.670 4.547 0 40 GJAB COc1ccc(Br)c(C(=O)N[C@H](C)Cc2cc3ccccc3o2)c1 239593134 DQSDXVARSBYISS-GFCCVEGCSA-N 388.261 4.565 0 40 GJAB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)OC[C@H](N)CO 299888274 CKNOUMOYIGNOBN-MBIUSAQBSA-N 377.569 4.995 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C 408557157 LPPGKWPUWHGAQK-UHFFFAOYSA-N 393.814 4.867 0 40 GJAB Cc1ccc2cc(CNC(=O)c3cc(C)nc4c(C)cc(C)cc34)c(O)nc2c1 585293928 BUJOPEZVHQBYGM-UHFFFAOYSA-N 385.467 4.652 0 40 GJAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CCc3ccccc3C(C)(C)C2)c1 665586394 MDQDQKODAHAZDN-UHFFFAOYSA-N 379.504 4.711 0 40 GJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)OC)C1 673054 QCVJKZKCIKPGAI-CQSZACIVSA-N 386.517 4.723 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1 853627 WXCFMYRJIPUNJZ-UHFFFAOYSA-N 397.525 4.504 0 40 GJAB COc1ccc(NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1 1083520 RBSJFESGFPYIJW-UHFFFAOYSA-N 379.485 4.647 0 40 GJAB CCOC(=O)Nc1cc2c(c(Cl)c1Br)-c1ccccc1C2=O 1569599 SPDMPUINFXQYMP-UHFFFAOYSA-N 380.625 4.882 0 40 GJAB CCOC(=O)N1[C@H]2c3ccccc3[C@H](c3cc(Cl)ccc32)N1C(=O)OCC 1867140 YFNSJJUPTSYRJS-ZWKOTPCHSA-N 386.835 4.678 0 40 GJAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)cc1 2255062 OFVXSMFLAUYTFJ-DHIUTWEWSA-N 396.425 4.630 0 40 GJAB CCCSc1nc2sc3c(c2c2nnc(SC)n12)C[C@](C)(CC)OC3 2264002 WFDQRXOLYBPKCQ-KRWDZBQOSA-N 394.591 4.804 0 40 GJAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3977948 PSGAAPLEWMOORI-FFCZHHEJSA-N 386.532 4.655 0 40 GJAB Cc1cc(C(=O)COc2cccc(Cl)c2Cl)c(C)n1C[C@H]1CCCO1 4808890 RAKMUQMPQJZMHI-CQSZACIVSA-N 382.287 4.852 0 40 GJAB O=c1[nH]c(O)nc2c1sc1nc(-c3cccs3)cc(-c3cccs3)c12 4973646 RBWIHSBIYHEEJU-UHFFFAOYSA-N 383.479 4.695 0 40 GJAB Cc1ccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 6056877 BQELMAHHRNTPEL-ZDUSSCGKSA-N 396.270 4.559 0 40 GJAB CCCCCn1nc(C(=O)Nc2c(C)cccc2CC)c2ccccc2c1=O 6152440 ROWLDXOEPLKRRN-UHFFFAOYSA-N 377.488 4.710 0 40 GJAB COc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2)cc1 6747554 UBWZGTJBXSUDJC-UHFFFAOYSA-N 385.847 4.549 0 40 GJAB COc1ccc(-c2cc(OC(=O)c3cccs3)cc3sc(=O)oc23)cc1 6809681 CRDPQHVFMGCHBV-UHFFFAOYSA-N 384.434 4.811 0 40 GJAB Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2cc(C)ccc2C)c1 8476702 TXXCIKKNQCWKHV-UHFFFAOYSA-N 396.494 4.790 0 40 GJAB Cc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccc(C)cc2)cc1 8637979 MSPIKMKQZSFDCR-QFIPXVFZSA-N 391.536 4.740 0 40 GJAB CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1Br 8986916 IAJPJTBMYBPHQI-UHFFFAOYSA-N 396.668 4.631 0 40 GJAB Cc1cccc(CSCCNC(=O)C2CCN(Cc3ccccc3C)CC2)c1 9062911 PJCCWDRTOCFDHM-UHFFFAOYSA-N 396.600 4.565 0 40 GJAB C[C@H](C(=O)NCc1cccs1)n1c(COc2ccccc2)nc2ccccc21 9366022 YUQOJCUKEXMEAV-MRXNPFEDSA-N 391.496 4.554 0 40 GJAB CCCCC(=O)Nc1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1 10120205 NWFIYWHFOXQJNE-UHFFFAOYSA-N 384.432 4.649 0 40 GJAB Cc1ccc(NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc1 13126094 UYQNXFGGJSWAGN-LABNAMAPSA-N 382.463 4.961 0 40 GJAB aggregator Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)c3cnc(C)cn3)sc2c1 14595916 JCFXXLAQZPGHSQ-UHFFFAOYSA-N 388.496 4.859 0 40 GJAB CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ncc(-c2ccc(F)cc2)[nH]1 18457994 MYDGJQNOXHLWCB-CYBMUJFWSA-N 383.448 4.538 0 40 GJAB COc1cccc(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 20452435 HTLKBGSNLIDUNA-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB Cc1cc(C)c2nc(Nc3nc(C)c(Cc4ccccc4C)c(=O)[nH]3)nc(C)c2c1 20797998 SNJVXHQESFHZNX-UHFFFAOYSA-N 399.498 4.590 0 40 GJAB Cc1cc(C(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1nccs1 21997176 MGYSBMWGEAPVAW-UHFFFAOYSA-N 387.464 4.547 0 40 GJAB CN(Cc1ccccc1Br)C(=O)c1ccc(Br)s1 22402334 PVSWARKYKWMJCJ-UHFFFAOYSA-N 389.112 4.545 0 40 GJAB Cc1ccc(/C=C/c2ccnc3nc(N4c5ccccc5C[C@@H]4C)[nH]c(=O)c23)cc1 40388417 NFMHBCLCIDIEML-FLVLSHQESA-N 394.478 4.880 0 40 GJAB CNC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 44086113 ROYNCXBAVLWPAH-UHFFFAOYSA-N 392.311 4.684 0 40 GJAB CC(C)(C)[C@@H](NC(=O)Nc1cccc(CN2CCOC2=O)c1)c1cccs1 58146455 WBYQGDQLQXMBBD-KRWDZBQOSA-N 387.505 4.609 0 40 GJAB Cc1ncc(CN(C)C(=O)Nc2ccc(N3CCc4ccccc43)cc2)s1 58281382 YLRMGFJCBPVBMJ-UHFFFAOYSA-N 378.501 4.810 0 40 GJAB Cc1cc(C)cc(C(=O)NC2(c3nc(-c4ccccc4)no3)CCCCC2)c1 65257863 ZQJOPLANKPOHRF-UHFFFAOYSA-N 375.472 4.943 0 40 GJAB O=C(NC[C@@H](O)c1cccc2ccccc12)C(c1ccccc1)c1ccccc1 70636067 LSMXWXHRQGSCBY-XMMPIXPASA-N 381.475 4.822 0 40 GJAB CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1OCc1ccccc1 72212119 CCRADBGUEFMCRP-UHFFFAOYSA-N 384.476 4.538 0 40 GJAB CN(C(=O)/C=C(/c1ccccc1)C(F)(F)F)[C@@H]1CCCN(c2ccccc2)C1 83855662 QXNVVVVHDHYSGS-GCFJHJGGSA-N 388.433 4.760 0 40 GJAB Cc1cc(C)cc(OCCc2nnc(NC(=S)Nc3ccccc3)s2)c1 95116448 QLQOHSHEWDGNHF-UHFFFAOYSA-N 384.530 4.585 0 40 GJAB O=c1[nH]n(C2CCCC2)c2c1[C@H](c1c(F)cccc1Cl)SCC(O)=N2 95476931 MLUAPDUTRSPRKE-HNNXBMFYSA-N 381.860 4.508 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccccc2)C[C@H](c2ccc(F)cc2)C1 102839368 OHVVHIFIVBDWOB-LIRRHRJNSA-N 376.391 4.838 0 40 GJAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)ccc1Cl 222637688 LHHJRJSBJPQEKQ-CQSZACIVSA-N 389.879 4.964 0 40 GJAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc3ccccc3c1)CC(C)(C)O2 222837420 WMMZUEDTKLHCAU-NRFANRHFSA-N 375.468 4.946 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C(C)C 223341363 PJYXOGHPSABBKS-RTWAWAEBSA-N 394.544 4.847 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 225476960 JNTSSVJUHCCRNT-NFBKMPQASA-N 394.559 4.650 0 40 GJAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)c1 408627183 LBELGBCUIDXRLI-UHFFFAOYSA-N 391.452 4.831 0 40 GJAB Cc1cc2nc3s/c(=C\c4cc(C)n(C5CCCC5)c4C)c(=O)n3c2cc1C 408786535 SGKGPAGKGWGVTG-MTJSOVHGSA-N 391.540 4.607 0 40 GJAB CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H]1C[C@@H]1c1ccc3ccccc3c1)CC2 534410048 DWZDBHNAZAKYJT-JWQCQUIFSA-N 383.491 4.773 0 40 GJAB NC(=O)c1ccc(-c2ccc([C@@H]3CCCCN3Cc3ccc(F)cc3)cn2)cc1 607855224 AXDYCHRDUCMCPY-QHCPKHFHSA-N 389.474 4.714 0 40 GJAB O=C(NC1CCCCCC1)c1cc(Br)ccc1Br 642772 SWGLAGOFRLJYAE-UHFFFAOYSA-N 375.104 4.664 0 40 GJAB COc1cc(C)c(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1C(C)C 686799 MBTFSZRTGPEDKK-UDWIEESQSA-N 378.472 4.528 0 40 GJAB CCCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 828346 FAXIXXIQQHVWGO-UHFFFAOYSA-N 398.462 4.540 0 40 GJAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NCC(C)C)C3CCCCC3)cc2c1 875493 GRGFCVMTXCHOIG-UHFFFAOYSA-N 399.604 4.810 0 40 GJAB Cc1ccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCC3)c(=O)[nH]c2c1 1352751 IIIQKFMRGAKTHS-UHFFFAOYSA-N 393.462 4.952 0 40 GJAB Clc1ccc2c(Nc3ccc(I)cc3)ncnc2c1 1387065 MWVVPGKGCDHOED-UHFFFAOYSA-N 381.604 4.631 0 40 GJAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCC3 1814810 MVZVMHXIGMVZLW-UHFFFAOYSA-N 386.542 4.837 0 40 GJAB C[C@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1ccc(Cl)cc1 1924315 AKJLDBYCELYVGQ-LBPRGKRZSA-N 382.876 4.655 0 40 GJAB C[C@@H](OC(=O)c1ccc(F)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 2621925 YXZMUNJEZHHEFP-SECBINFHSA-N 389.732 4.682 0 40 GJAB O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCCC1 3213782 MZRNPVMMFFYDMP-IBGZPJMESA-N 380.315 4.556 0 40 GJAB CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(CC(F)(F)F)c2C)cc1 3414223 FLOHQFXSGSYFJB-UHFFFAOYSA-N 384.423 4.601 0 40 GJAB Cc1sc2nc([C@@H](C)Sc3nnc(-c4ccccc4)o3)[nH]c(=O)c2c1C 3867231 WQZSMYSDAFZBPN-LLVKDONJSA-N 384.486 4.505 0 40 GJAB O=c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cn1Cc1ccc(Cl)cc1 4050436 YUXODCFVLQIBMF-UHFFFAOYSA-N 398.249 4.920 0 40 GJAB Cc1ccccc1-c1nnc(NC(=O)CSc2nc3ccccc3s2)s1 4174420 BRBMVWJKYUHARH-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB aggregator CC(=O)N1N=C(c2ccccc2)C[C@H]1Cc1cc2cccc(C)c2nc1Cl 4176784 ZHBIGGNKZCPQKM-LJQANCHMSA-N 377.875 4.764 0 40 GJAB CCCC1=C(C(=O)OCC)[C@H](c2cc(F)cc(F)c2)n2c(nc3ccccc32)N1 4735600 JKDHOJLHRMMZTE-FQEVSTJZSA-N 397.425 4.947 0 40 GJAB O=C(c1ccc(F)cc1)c1cn(Cc2ccccc2F)c2ccc(F)cc2c1=O 4936938 CDXPTDSUMADCBR-UHFFFAOYSA-N 393.364 4.698 0 40 GJAB Cc1ccc(Cc2cnc(N3C(=N)S[C@@H](c4ccccc4)C3=O)s2)cc1 5017013 KBJMZLCYLXHEOK-KRWDZBQOSA-N 379.510 4.798 0 40 GJAB aggregator CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cc(C)cc(C)c2)cc1 6630445 VNLQSKSKHHYUHJ-UHFFFAOYSA-N 388.467 4.722 0 40 GJAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cs2)c(OC)c1 6839471 XGSGGUIOAPCIAX-UHFFFAOYSA-N 386.498 4.558 0 40 GJAB Cc1ccccc1Nc1nc(-c2ccc(NC(=O)CCC(=O)O)cc2)cs1 6898432 IUQATQDZPOFFQK-UHFFFAOYSA-N 381.457 4.665 0 40 GJAB C[C@H](Sc1nnc([C@H](C)Oc2ccccc2F)o1)C(=O)c1ccc(F)cc1 7137679 CWUQIZPKGXTYRA-RYUDHWBXSA-N 390.411 4.851 0 40 GJAB CCCCCNCc1cc(Br)cc(Br)c1OCC 7261256 ALGVAWIPZGJHKC-UHFFFAOYSA-N 379.136 4.890 0 40 GJAB CCCCC[C@@H](C)NC(=O)CSc1nnc(Nc2cccc(F)c2)s1 7535423 WZMNOOMNDLYLBF-GFCCVEGCSA-N 382.530 4.598 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(C(F)(F)F)cc1 7538341 FACRPHXJCVGBGW-LBPRGKRZSA-N 394.418 4.914 0 40 GJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cc(Cl)cc(Cl)c1 7725878 QIFDELLJEUZQCW-UHFFFAOYSA-N 379.243 4.820 0 40 GJAB COC(=O)c1cc(NC(=O)CCSc2ccc(Cl)cc2)ccc1Cl 8092179 JOGGENXMYQOQPT-UHFFFAOYSA-N 384.284 4.901 0 40 GJAB COc1cccc(CNCCc2ccc(F)cc2)c1OCc1ccccc1F 8495658 CXTBOGVZCOQQEL-UHFFFAOYSA-N 383.438 4.885 0 40 GJAB Cc1nc(COc2ccc(C(=O)Nc3cccc4cccnc34)cc2)cs1 8719090 CUALQZMVTVQWLP-UHFFFAOYSA-N 375.453 4.831 0 40 GJAB Clc1ccc(OCc2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 9047150 AUGOVIUWGITTOP-UHFFFAOYSA-N 393.859 4.633 0 40 GJAB O=C(Nc1cccc2ccccc12)c1cc2c(cc1Br)OCCO2 9668231 XOWRHGFIHKXRLM-UHFFFAOYSA-N 384.229 4.626 0 40 GJAB CCc1ccc(-n2c(SCCc3ccccn3)nnc2-c2ccncc2)cc1 10090510 INHVCAKKMUZOMR-UHFFFAOYSA-N 387.512 4.622 0 40 GJAB COc1ccc2oc(-c3csc(NC(=O)COc4ccccc4)n3)cc2c1 10883454 QHKRMJHOQUKANY-UHFFFAOYSA-N 380.425 4.582 0 40 GJAB Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc(F)cc4)ccc3C(=O)O2)cc1 12274522 OUQYVNAOUCVPRO-OAQYLSRUSA-N 375.399 4.841 0 40 GJAB Cc1cc(Cl)cc(C)c1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12487600 ZKDKVMNBNOTBDR-GOSISDBHSA-N 383.879 4.576 0 40 GJAB COc1ccc(Nc2ccc(NC(=O)Cc3ccc(OC)cc3OC)cc2)cc1 12558101 GBHLLWXMSJGXGF-UHFFFAOYSA-N 392.455 4.637 0 40 GJAB Cc1cccc(-n2c(SCC(=O)NCc3cccs3)nc3ccccc32)c1 12604526 GVAFMZZNUSIXHH-UHFFFAOYSA-N 393.537 4.804 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)o2)cs1 12619203 CKRKJSLJGIFJRX-UHFFFAOYSA-N 390.892 4.839 0 40 GJAB Cn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@@H]3CCCC[C@@H]3C2)c1=S 13071832 SUUKMYRYSFDUBL-GOEBONIOSA-N 376.957 4.741 0 40 GJAB CC(C)CCC(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 13147214 RTERSVKGKRXLAJ-QIDMFYOTSA-N 380.532 4.794 0 40 GJAB CCOc1c(Cl)cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC 16308336 VELLBCZLEFQLCM-KRWDZBQOSA-N 399.878 4.601 0 40 GJAB CCOC(=O)/C(=C\OCCOc1cc(Cl)ccc1Cl)Oc1ccccc1 17155085 FQTBYXLWNSAKNC-QGOAFFKASA-N 397.254 4.872 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccccn3)cc2n1 19452362 FRMGETYOFJAKSI-QGZVFWFLSA-N 389.425 4.604 0 40 GJAB CC(=O)c1cccc(NC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)c1 20540377 ZBPHAIZYWIKBCE-UHFFFAOYSA-N 376.460 4.703 0 40 GJAB Cn1ccnc1-c1sc(NC(=O)Cc2cccc(F)c2)nc1-c1ccccc1 24842946 KXASOHVWLHWVMW-UHFFFAOYSA-N 392.459 4.531 0 40 GJAB CC(C)(C)c1ccc(OC[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 28297120 LSAWKCRTZOFMIA-HNNXBMFYSA-N 392.421 4.793 0 40 GJAB Cc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cnn1-c1ccccn1 31874712 VVUCSFYMUMFDRI-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB O=C(Cc1cn2ccccc2n1)Nc1ccccc1Oc1ccccc1Cl 32462061 BQZPESVNZLEAGR-UHFFFAOYSA-N 377.831 4.961 0 40 GJAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)c1c(C)[nH]c3cc(C)ccc13)CC2 35361867 DULSPCXSOQRNAF-INIZCTEOSA-N 392.499 4.604 0 40 GJAB biogenic Fc1ccc(CN2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1F 35446683 DYTMRDALWIKGHQ-LBPRGKRZSA-N 381.348 4.849 0 40 GJAB biogenic,in-vitro COc1ccc(C)cc1[C@H](C)NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 36703957 WYHDVSHGHRSJAV-ZDUSSCGKSA-N 395.528 4.994 0 40 GJAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cc(Br)c[nH]1 39984239 ACMNUJICHHYDSN-SFHVURJKSA-N 384.229 4.558 0 40 GJAB COc1cc(OC)c(OC)cc1/C=C/C(=O)N[C@@H](c1cccs1)C(C)(C)C 40142074 XOZUIYGHJIDIRK-XTXLJPNXSA-N 389.517 4.691 0 40 GJAB CN(Cc1cc(Br)cs1)C(=O)CCc1c[nH]c2ccccc12 48327664 KVKIBACYLFAKKL-UHFFFAOYSA-N 377.307 4.583 0 40 GJAB Cc1ccccc1SCC(=O)Nc1cccc(CN2CCSCC2)c1C 58157829 CQQGSNJGBJVGMX-UHFFFAOYSA-N 386.586 4.583 0 40 GJAB CC(=O)Nc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)sc2c1 59472566 OWLOHBRMBQTDRP-UHFFFAOYSA-N 385.514 4.602 0 40 GJAB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(Cl)cc2)cc1 59488988 MXAUESDHIANLTE-GOSISDBHSA-N 396.796 4.512 0 40 GJAB Cc1ccccc1-c1cc2c(N3CCN(c4cccc(C)c4C)CC3)nccn2n1 67285463 NSJAQNNDURITRF-UHFFFAOYSA-N 397.526 4.648 0 40 GJAB COc1cc(C(=O)Nc2cccc3c2ccn3CC(C)C)cc(OC)c1OC 72325850 QKARJKOMYFONLT-UHFFFAOYSA-N 382.460 4.575 0 40 GJAB biogenic Fc1ccccc1CN1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 72369950 PBSNXZWMVKKREJ-OAHLLOKOSA-N 391.368 4.884 0 40 GJAB Cc1sc(NC(=O)c2ccn(C(C)C)n2)nc1-c1ccc(OC(F)F)cc1 95958930 RKDOLELIGSCHHV-UHFFFAOYSA-N 392.431 4.750 0 40 GJAB CSCc1cc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)ccc1F 95963027 LKPOVFWGDJWOJL-UHFFFAOYSA-N 395.459 4.588 0 40 GJAB COc1cccc2cc(C(=O)N3CCS[C@@H](c4ccccc4F)CC3)oc12 219075434 YZOQAYYLQUMZNL-LJQANCHMSA-N 385.460 4.901 0 40 GJAB COc1ccc2cc(C(=O)N3CCS[C@@H](c4ccccc4F)CC3)[nH]c2c1 219115276 GNQMDVMHTGODRR-HXUWFJFHSA-N 384.476 4.636 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 223019720 CPDBDMSPOIOZPK-QGZVFWFLSA-N 396.270 4.885 0 40 GJAB CCc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC 223680405 ZKVKJTNUMCCUPJ-UHFFFAOYSA-N 393.814 4.731 0 40 GJAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(Cc2ccc(F)cc2)CC1 224553833 PDHRNSNRHBNZKR-UHFFFAOYSA-N 388.486 4.928 0 40 GJAB CC(C)c1ccc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225157209 GPVDHPWHHDGFSG-UHFFFAOYSA-N 384.501 4.785 0 40 GJAB O=C(NCc1cccnc1-c1ccsc1)c1cccc(Oc2ccccn2)c1 225647320 JFUVDCWTXRNFCR-UHFFFAOYSA-N 387.464 4.927 0 40 GJAB COc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 225811392 SHMXBIWJPAJJRH-UHFFFAOYSA-N 399.849 4.997 0 40 GJAB O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 242965431 HLINQNJWQVNWRG-SNVBAGLBSA-N 383.662 4.638 0 40 GJAB COc1cc(NC(C)=O)c(Cl)cc1-c1cc(Cl)c(NC(C)=O)cc1OC 255189508 QGXISTFDYQDIOP-UHFFFAOYSA-N 397.258 4.594 0 40 GJAB CS(=O)(=O)c1ccc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)cc1 255190106 VBFQDRZUDQTYDM-JOCHJYFZSA-N 394.471 4.585 0 40 GJAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 408981695 WDMJJUGQJXRPEA-INIZCTEOSA-N 381.259 4.809 0 40 GJAB O=C(O)[C@H](c1cccc(Cl)c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 564661664 SHNAYRPXYFWORN-IRXDYDNUSA-N 399.796 4.558 0 40 GJAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1nc(-c2cccs2)cs1 585149375 MJBWHRBNPQLMAZ-INIZCTEOSA-N 390.555 4.831 0 40 GJAB Cc1cccc(Nc2cc(C3CCN(C(=O)/C=C/c4ccco4)CC3)ccn2)n1 585293068 VYINVWFAPYZGGX-BQYQJAHWSA-N 388.471 4.541 0 40 GJAB Clc1cc(Cl)cc(CN2CCC(NCc3cnc(C4CC4)o3)CC2)c1 628237549 QVKLIYWTVAUEIJ-UHFFFAOYSA-N 380.319 4.613 0 40 GJAB Cc1ccc(Cc2cnc(NC(=O)C3(C(F)(F)F)CCOCC3)s2)cc1C 952885673 WSKXTSLRESCNGX-UHFFFAOYSA-N 398.450 4.648 0 40 GJAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 948937 ODFYYURVYSJTQN-OAHLLOKOSA-N 382.412 4.533 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1cccnc1SCCC(F)=C(F)F 1402587 REENIEBZAHBDHH-UHFFFAOYSA-N 382.363 4.622 0 40 GJAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccc(C(F)(F)F)c1 2438765 ZFINJZWSPIJVLZ-UHFFFAOYSA-N 395.768 4.980 0 40 GJAB Cc1cccc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1C 3239147 MWHVYCQQZKBFIR-ZDUSSCGKSA-N 396.270 4.559 0 40 GJAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cccnc1Cl 3324093 IODYTEYPEPVZAK-HXUWFJFHSA-N 390.826 4.997 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109794 BPYAHBSARKXKTC-UHFFFAOYSA-N 398.812 4.977 0 40 GJAB O=C(c1ccccc1)[C@@H](Sc1nnc2[nH]c3ccccc3n12)c1ccccc1 4266189 ACMIQBFYRBJQAA-FQEVSTJZSA-N 384.464 4.927 0 40 GJAB COc1ccccc1-c1noc(C)c1-c1nn2c(-c3cccs3)nnc2s1 4988660 XGZZQMZTTVSNSU-UHFFFAOYSA-N 395.469 4.553 0 40 GJAB Cc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)o1 5173053 WLZUSRMEIZKGTB-UHFFFAOYSA-N 377.469 4.774 0 40 GJAB COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 5209775 IHOTUMLKDLMSLP-HNNXBMFYSA-N 397.906 4.875 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(OC(C)C)cc2)ccc1Br 5749930 UIUJRISOHZENAR-UHFFFAOYSA-N 378.266 4.562 0 40 GJAB CCC(=O)Nc1ccc(N2C(=O)[C@@H](C)S[C@@H]2c2ccc(SC)cc2)cc1 5791925 BOKWYJCVHYXEFI-ZUOKHONESA-N 386.542 4.924 0 40 GJAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)C(Cl)(Cl)Cl 6244244 YDJPLZQRKYNLOT-UHFFFAOYSA-N 387.675 4.978 0 40 GJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1 6386564 UHSAMLOPCMZLEM-UHFFFAOYSA-N 389.908 4.596 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(C)cc1)c1ccccc1 6430531 IQYZATKIRDHFNO-QFIPXVFZSA-N 389.451 4.849 0 40 GJAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccccc1C(F)(F)F 6436951 RASHTJQAKQXTCW-UHFFFAOYSA-N 383.391 4.598 0 40 GJAB COc1ccc(-c2nnc(SCc3nnc(C)o3)n2[C@@H]2CCCC[C@H]2C)cc1 7432862 YEGLYRXKCMPUFU-CXAGYDPISA-N 399.520 4.689 0 40 GJAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 7719247 ZYZHUUKNBMKHOR-KRWDZBQOSA-N 397.494 4.697 0 40 GJAB Cc1nc2cc(C(=O)Nc3ccc4c(c3)OCCCO4)ccc2n1-c1ccccc1 8165531 UDKWQZJPSIQSSV-UHFFFAOYSA-N 399.450 4.748 0 40 GJAB C[C@@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1cc2ccccc2o1 8196443 RROIXYWXDOJMCW-CYBMUJFWSA-N 380.831 4.891 0 40 GJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc2cccc(OC)c2o1 8960525 YDDUJAPDHXVTKD-UHFFFAOYSA-N 379.368 4.617 0 40 GJAB CC(C)CN1C(=O)CCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 9137505 XZNOXXCPMXQMTD-UHFFFAOYSA-N 380.532 4.777 0 40 GJAB COc1ccccc1-c1noc(CSc2nccn2-c2cccc(C)c2C)n1 10347944 VODQZGKEXMVFFR-UHFFFAOYSA-N 392.484 4.840 0 40 GJAB COc1cccc2cc(-c3csc(NC(=O)Cc4ccc(F)cc4)n3)oc12 10748930 TWPDQUSPSKKMHR-UHFFFAOYSA-N 382.416 4.885 0 40 GJAB Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccc(F)cc3s2)cc1C 11073761 AMRVPNBBPUNVEX-QGZVFWFLSA-N 384.476 4.878 0 40 GJAB CCc1ccccc1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 12563337 WZQOHEZVUBYZFP-UHFFFAOYSA-N 377.513 4.682 0 40 GJAB Cc1ccc(-c2nnc(S[C@@H]3C[C@H](C)OC3=O)nc2-c2ccc(C)cc2)cc1 12750298 JAQGSVLUCXNNLT-MAUKXSAKSA-N 391.496 4.619 0 40 GJAB CCn1c(-c2ccccc2)nn(CN2CCC[C@@H]2c2ccc(OC)cc2)c1=S 12818965 TVCFECBQRNLNGB-HXUWFJFHSA-N 394.544 4.904 0 40 GJAB Cc1ccc(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 12937965 CGYGDQFQMSJITN-UHFFFAOYSA-N 376.378 4.544 0 40 GJAB CCc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 13021881 KEAXYUPHQLUYAG-GFCCVEGCSA-N 396.270 4.505 0 40 GJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 13685684 CAHSRXOZTDQXOI-GOSISDBHSA-N 394.515 4.772 0 40 GJAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1cccc(Cl)c1 13709703 IHYOKUAZGWLUND-CYBMUJFWSA-N 384.328 4.810 0 40 GJAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccnn2C2CCCC2)cc1 14019773 TXSQYTSYKIGYDG-NRFANRHFSA-N 396.535 4.563 0 40 GJAB CCNc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)oc2ccccc12 16681915 RUDJGJYFQPQKBL-UHFFFAOYSA-N 380.488 4.770 0 40 GJAB COc1ccc(-c2ccc(CCC(=O)Nc3cc(OC)ccc3OC)o2)cc1 16706171 YVWAWCVERCIKEN-UHFFFAOYSA-N 381.428 4.544 0 40 GJAB CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ncc(-c2ccc(F)cc2)[nH]1 18457997 MYDGJQNOXHLWCB-ZDUSSCGKSA-N 383.448 4.538 0 40 GJAB Cc1cc2cc(C(=O)N3CCC[C@H](c4nnc(-c5ccsc5)o4)C3)ccc2o1 19126394 BGYJXTNOBPNWNE-HNNXBMFYSA-N 393.468 4.873 0 40 GJAB COc1cccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1 19565044 STGCGYVWPIZCSV-UHFFFAOYSA-N 387.430 4.857 0 40 GJAB CC(C)C[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 20048121 DHTMTUOFJBSJLX-GOSISDBHSA-N 376.294 4.732 0 40 GJAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccc(Br)cc1 21787398 MKTTZDYHMSNXCB-LJQANCHMSA-N 398.304 4.531 0 40 GJAB O=C(Nc1ccccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 23054910 ZFDARWGDVMDZKG-QWHCGFSZSA-N 396.434 4.851 0 40 GJAB Cc1ccccc1-c1nn(CN(C)Cc2nc3ccccc3s2)c(=S)n1C 23851146 IFMNHPJYUIEVDV-UHFFFAOYSA-N 395.557 4.626 0 40 GJAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1nccs1 24850615 TXWPNTCMXBPZAI-UHFFFAOYSA-N 392.509 4.727 0 40 GJAB COc1ccc(-c2nsc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1OC 27662359 YEWDPMUXWJIYLK-UHFFFAOYSA-N 397.500 4.772 0 40 GJAB Cc1nn(CCCNC(=O)Nc2ccc(C(C)C)cc2)c(C)c1Br 27928176 DHGQGFHBHQEJOI-UHFFFAOYSA-N 393.329 4.598 0 40 GJAB CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 30940137 XKHSYKXSJMAMPY-GOSISDBHSA-N 386.923 4.978 0 40 GJAB CCOc1ccc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c2ccccc12 32603666 IWVBWMMPNZGETF-UHFFFAOYSA-N 392.480 4.647 0 40 GJAB CC[C@@H](C(=O)Nc1c(C)nn(COc2ccc(F)cc2F)c1C)c1ccccc1 32609828 ASJUYWNOZXNHPV-GOSISDBHSA-N 399.441 4.947 0 40 GJAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc4ccccc4c3)n2)cc1 32644479 OGAKINBNSNYSPN-UHFFFAOYSA-N 387.439 4.860 0 40 GJAB CN(C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1cccc(F)c1 32729470 LYBNXYDANNZCBM-HNNXBMFYSA-N 376.884 4.727 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289602 VNORPCDMQLBGIF-INIZCTEOSA-N 378.259 4.628 0 40 GJAB COc1ccc(C(=O)c2sc3nc(-c4ccccc4OC)ccc3c2N)cc1 35324197 QRYJSHPUDMUYDE-UHFFFAOYSA-N 390.464 4.794 0 40 GJAB O=C(O)c1cccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)c1 35648975 YNTGBFBUJHUKND-RIYZIHGNSA-N 393.848 4.583 0 40 GJAB O=C(NCc1ccccc1Cn1ccnc1)Nc1ccc(Cl)cc1Cl 40024073 OJYIIQOKRYXWHK-UHFFFAOYSA-N 375.259 4.560 0 40 GJAB O=C(Nc1ccccc1OC(F)F)c1cc2cc(Br)ccc2[nH]1 40062123 QHRMLRZVLMIBCQ-UHFFFAOYSA-N 381.176 4.784 0 40 GJAB CC(C)(C)c1csc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)n1 40129456 BFRIKNKCDMAZLV-UHFFFAOYSA-N 399.541 4.684 0 40 GJAB O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccc(Cl)cc1 51315318 KEYVMFUQNWSONT-UHFFFAOYSA-N 398.724 4.646 0 40 GJAB Cc1ccc(C2=C[C@H](c3ccc(Br)cc3)N3C(=O)CSC3=N2)cc1 51329796 OLAXTDPFLLUUKU-QGZVFWFLSA-N 399.313 4.785 0 40 GJAB O=C(CNc1ccccc1N1CCCCCC1)N1CCC[C@@H]1c1cccs1 57722639 OBKSUYTZVDVDLB-HXUWFJFHSA-N 383.561 4.904 0 40 GJAB COc1ccc(/C=C2/CCCC3=C2NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1 58987278 LWRQTWWJJNMEKW-RUDRXDDOSA-N 392.524 4.744 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349856 UDIVNSQNHNLEBR-QGZVFWFLSA-N 395.503 4.596 0 40 GJAB Cc1ccc(C2(C(=O)N[C@H](C)Cc3c[nH]c4c(C)cccc34)CCOCC2)cc1 72390338 COKCDPQQCGSFNS-LJQANCHMSA-N 390.527 4.580 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1c2cccc(F)c2CC[C@@H]1C 95945971 MRSSCPCWXXTGNX-BTYIYWSLSA-N 382.479 4.636 0 40 GJAB COC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 118915900 FMACOWSJEUFNHK-ABFFWGGZSA-N 388.548 4.545 0 40 GJAB COC(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 118915902 FMACOWSJEUFNHK-QLIMCPMHSA-N 388.548 4.545 0 40 GJAB O=C(Nc1ccccc1Br)c1cnc(-c2ccc(Cl)cc2)nc1 222603447 CEHAHRPHLMFZGK-UHFFFAOYSA-N 388.652 4.812 0 40 GJAB CC1(C)CCc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc2O1 223664319 ONIPBRHCFNSKBU-UHFFFAOYSA-N 386.300 4.898 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)COc1cccc(C(F)(F)F)c1 223743069 SORXVHIILPQCES-UHFFFAOYSA-N 395.421 4.577 0 40 GJAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224128618 PFDAUBKOTNKVQL-HSZRJFAPSA-N 394.559 4.686 0 40 GJAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(C)cc(C)c1 224319302 SGHYIOVKRGJWRK-SFTDATJTSA-N 376.529 4.697 0 40 GJAB O=C(c1cncs1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257273223 NFSVHDOMYSXGQD-MRXNPFEDSA-N 387.892 4.743 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2cccc(C)c2)cc1 408696944 CMLANSKKHPGIOC-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB CCc1cnccc1[C@H](C)NCC(=O)Nc1ccc(OCc2ccccc2)cc1 541195666 UVRJMLHKXYOBPZ-SFHVURJKSA-N 389.499 4.512 0 40 GJAB O=C1N/C(=C\c2ccc(-c3ccccc3F)o2)C(=O)N1c1cccc(Cl)c1 584908684 BPNFUQSVVQLQGP-BOPFTXTBSA-N 382.778 4.836 0 40 GJAB O=C(N[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1)c1ccco1 631501 CEDYVBCOAMEQIU-GOSISDBHSA-N 389.238 4.637 0 40 GJAB COc1ccc2nc3sc(C(=O)Nc4c(C)cccc4C)c(N)c3cc2c1 917581 VIQSNINBORPVTP-UHFFFAOYSA-N 377.469 4.909 0 40 GJAB O=C(Nc1ccccc1F)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 919316 BNKUPZYYAVXBDX-IUODEOHRSA-N 394.328 4.528 0 40 GJAB COc1ccc(Nc2nnc(S[C@H](C)C(=O)c3ccc(C)cc3)s2)cc1 2656634 MKZQHMTVOOMRNL-CYBMUJFWSA-N 385.514 4.962 0 40 GJAB COc1cccc(-c2nnc(SC[C@H]3CCCCO3)n2-c2ccccc2)c1 3426966 CLJSIKRWLSFOET-LJQANCHMSA-N 381.501 4.604 0 40 GJAB CCOc1ccc2nc(NC(=O)c3ccc(Br)cc3F)sc2c1 4070162 YNRWQEONZYRYSW-UHFFFAOYSA-N 395.253 4.849 0 40 GJAB CC[C@@H](C)NC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 5100338 XINPKFPJMYCGOQ-OAHLLOKOSA-N 391.519 4.586 0 40 GJAB Fc1ccc(Nc2nc3nonc3nc2Nc2cccc(Cl)c2Cl)cc1 5344187 MZCRAMWOJPCAOO-UHFFFAOYSA-N 391.193 4.946 0 40 GJAB CCOc1ccc(-c2nc(CSc3nnc(C)s3)cs2)cc1OC 6053910 FQQDZAYAVCRXJU-UHFFFAOYSA-N 379.532 4.670 0 40 GJAB COc1ccccc1-c1nnc(SCC(=O)c2ccc(C(C)(C)C)cc2)n1C 6072539 WENKLTPXTGXYMG-UHFFFAOYSA-N 395.528 4.763 0 40 GJAB COc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)C(C)C 6357762 XVVFVGNZGGYYCJ-UHFFFAOYSA-N 381.259 4.849 0 40 GJAB c1ccc(Cn2c(SCCOc3ccccc3)nnc2-c2ccncc2)cc1 6531478 IPYCWPQFSJJKON-UHFFFAOYSA-N 388.496 4.560 0 40 GJAB COc1ccc(C)cc1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 6839408 HWJZHLNDNVOXFE-UHFFFAOYSA-N 388.489 4.997 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c(OC)c1OC 7285288 USWWFFMTJQSOEK-UHFFFAOYSA-N 375.424 4.536 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(OCc2ccccc2Cl)cc1 7699590 WCKODZFCUZJPMF-UHFFFAOYSA-N 381.815 4.900 0 40 GJAB Cc1cc(CSc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)no1 8394392 YJTWOGOFBJAZRF-UHFFFAOYSA-N 391.496 4.729 0 40 GJAB O=C(NC1CCCCC1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 8476803 POLFAFSZERVJRL-UHFFFAOYSA-N 380.879 4.650 0 40 GJAB Cc1ccccc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O 8570757 QKVUDNRVJNUTPP-MHWRWJLKSA-N 388.286 4.994 0 40 GJAB CCc1ccc(CN(C)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 9791770 NRBYHHMNJYDRCT-QFIPXVFZSA-N 382.504 4.559 0 40 GJAB CCn1c(NC(=O)c2sc3cccc(F)c3c2COC)nc2ccccc21 10651865 ZOASNARIAMOQHL-UHFFFAOYSA-N 383.448 4.809 0 40 GJAB CC(C)C(=O)Nc1ccc(NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 11718633 LYZHGKRFARXKST-UHFFFAOYSA-N 398.463 4.521 0 40 GJAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(OC[C@@H]2CCCO2)cc1 12764707 JNTDNEJXVNXFME-IBGZPJMESA-N 394.496 4.544 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 12766327 OYFCQQBRLREZHA-UHFFFAOYSA-N 399.450 4.887 0 40 GJAB Cc1ccc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c(Br)c1 12772662 PLERQQFJFOTGOZ-UHFFFAOYSA-N 398.304 4.741 0 40 GJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14024240 KRDHYVZCTBRKEK-OAQYLSRUSA-N 380.488 4.545 0 40 GJAB C[C@H]1CCc2c(sc3nc([C@H](C)N4CCCc5ccccc54)[nH]c(=O)c23)C1 15349992 AFVOCWHADXMDEG-KBPBESRZSA-N 379.529 4.623 0 40 GJAB CC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 22843490 SNYSOIZQGZPELY-UHFFFAOYSA-N 382.485 4.625 0 40 GJAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)CSc1ccc2ccccc2c1 23637171 SEWPRTXOXVZUHS-INIZCTEOSA-N 379.481 4.811 0 40 GJAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3c4ccccc4C[C@@H]3C)c12 26927816 WWBCMCBOUHKGEK-ZDUSSCGKSA-N 388.496 4.597 0 40 GJAB COc1ccc(Nc2nc(-c3ccc4c(c3)C[C@H](C)N4C(C)=O)cs2)cc1 26981044 WVMBTMRXTBRUKF-ZDUSSCGKSA-N 379.485 4.860 0 40 GJAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1cccc(Cl)c1 27693092 LAXPFJQYCXDLQV-UHFFFAOYSA-N 375.859 4.919 0 40 GJAB CC(C)COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1 27742354 WMSVMHGUVPVYHR-HXUWFJFHSA-N 386.561 4.740 0 40 GJAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1cccnc1Cl 27813183 ZJPNUWXXBJWDQN-MRXNPFEDSA-N 381.888 4.840 0 40 GJAB O=C(CSCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)c(F)c1 32779105 PTVPAJGLTVIZGB-UHFFFAOYSA-N 395.818 4.540 0 40 GJAB COc1cccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c1 35181604 CMVXEFKMOOHWMB-UHFFFAOYSA-N 389.480 4.765 0 40 GJAB CC1=C(C(=O)OC(C)(C)C)C(c2cccs2)C(C(=O)OC(C)(C)C)=C(C)N1 35183238 JCMHCCSCYXSNKS-UHFFFAOYSA-N 391.533 4.666 0 40 GJAB Cc1oc2ncn(C3CCCC3)c(=O)c2c1C(=O)Nc1cccc(Cl)c1C 35672139 HNJNXDGVNXYHAM-UHFFFAOYSA-N 385.851 4.627 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1c(F)cccc1Cl 38753172 OXDITFPBLNGNPF-LJQANCHMSA-N 395.927 4.995 0 40 GJAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(Oc2cnccn2)cc1 40112560 WTWZZSVXIDSVFB-UHFFFAOYSA-N 378.413 4.546 0 40 GJAB C[C@H]1CCCC[C@@H]1n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 40396584 ADHNOXJVLABPMX-LIRRHRJNSA-N 376.435 4.602 0 40 GJAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1cccnc1SC1CCCC1 57095214 WLBQAZFLNILZCQ-GOSISDBHSA-N 398.576 4.875 0 40 GJAB CN(C(=O)c1ccc(I)cc1)c1cccc2ccccc12 58439505 XPASGWMNASXBJE-UHFFFAOYSA-N 387.220 4.721 0 40 GJAB O=C(c1ccc(N2CCCC2=O)cc1)N(Cc1ccccc1)Cc1ccccc1 69147119 IYQJVFJDMCAJHR-UHFFFAOYSA-N 384.479 4.656 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1C(=O)c1ccccc1 71234746 RFIDXKRSUPLJJT-UHFFFAOYSA-N 387.464 4.525 0 40 GJAB CCn1cc(/C=C2\C[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)cn1 71785083 OYOBEWYVPOOXAW-MQROXLOISA-N 378.516 4.519 0 40 GJAB O=C(N[C@@H]1C[C@H]1c1ccccc1)c1nc(Cl)c(Cl)c(Cl)c1Cl 84525458 WYUVUHBZPVEMIK-DTWKUNHWSA-N 376.070 4.981 0 40 GJAB CC(C)c1nc2ccc(N[C@H](C)C(=O)N3CCc4sccc4C3)cc2s1 84631205 BWXNCWLKXYLXDQ-CYBMUJFWSA-N 385.558 4.867 0 40 GJAB CCOCc1ccc2oc(-c3ccc(N4CCCCC4)cc3)c(O)c(=O)c2c1 103783657 YILOERJBBWIMTI-UHFFFAOYSA-N 379.456 4.692 0 40 GJAB Cc1ccccc1[C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)CCS1 219290580 ZRIWQWVZDGHRQZ-OAQYLSRUSA-N 377.513 4.501 0 40 GJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222666972 CCQIVDYJCUBHSH-LJQANCHMSA-N 394.559 4.514 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)cn3)N21 222675428 XNWDHBFYXRAQGP-MAODMQOUSA-N 389.528 4.555 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1C 222958931 GDYGHXOEMYRMOB-FQEVSTJZSA-N 382.504 4.629 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 222987973 KFYVOUHKEFCRRW-SFHVURJKSA-N 375.852 4.540 0 40 GJAB CCOc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1C 223136459 GVSYZBPZYSOAID-UHFFFAOYSA-N 381.900 4.849 0 40 GJAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)cc1 223408211 DTOAQOXNXSSAOZ-RBUKOAKNSA-N 395.553 4.633 0 40 GJAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 223675261 REILVYMGMAKBMO-FQEVSTJZSA-N 394.559 4.604 0 40 GJAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccco3)o2)cc1 224916579 ZNYNLKDEXWBUOQ-UHFFFAOYSA-N 388.423 4.930 0 40 GJAB COc1ccc(NC(=S)NCCSCc2cccc(C)c2)cc1Cl 225337352 VJIGRFCPGGAUQH-UHFFFAOYSA-N 380.966 4.877 0 40 GJAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(OC)c1 225677441 QSRGHJQDGIYLEA-KRWDZBQOSA-N 386.517 4.601 0 40 GJAB COc1cccc(C(=S)NCc2ccccc2)c1OCc1ccc(F)cc1 408577412 SLFVWHLJCLQBAP-UHFFFAOYSA-N 381.472 4.879 0 40 GJAB Cc1nc(SCc2nc(O)c3c4c(sc3n2)CCCC4)nc2c1CCCC2 408583875 YBRKZCBDPYTMHX-UHFFFAOYSA-N 398.557 4.545 0 40 GJAB CCN(CCC1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1)CC(C)C 1559674197 DMVZKSPFRBZMNR-UHFFFAOYSA-N 384.564 4.681 0 40 GJAB CC(C)Cc1cc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)on1 1615125676 GHKRHGSMMBJKEE-QHCPKHFHSA-N 399.510 4.676 0 40 GJAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1cccc(Cl)c1 831478 KHDNWQCKSRZGQF-UJKMTWAASA-N 385.850 4.737 0 40 GJAB biogenic CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C)cc1C 1072073 HRYXKBMSXLOLOF-UHFFFAOYSA-N 397.496 4.670 0 40 GJAB CCOc1ccc(C(=O)[C@@H](C)[C@@H](C)c2cc(Cl)cc3c2OCOC3)c(O)c1 2160652 ZHTDENBYWIFXCL-OLZOCXBDSA-N 390.863 4.933 0 40 GJAB biogenic Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2 2324027 UJFWIBGFQVTPRS-UHFFFAOYSA-N 380.473 4.604 0 40 GJAB O=C(COC(=O)C1c2ccccc2-c2ccccc21)c1ccc(OC(F)F)cc1 3293881 IJIIEPVXQGHJSB-UHFFFAOYSA-N 394.373 4.826 0 40 GJAB O=C(NCc1ccccc1)c1cccc(OC(=O)c2ccc(C(F)(F)F)cc2)c1 3395200 GNSCOHIFYQESOQ-UHFFFAOYSA-N 399.368 4.855 0 40 GJAB C[C@@H]1CCc2sc(NC(=O)c3cc(Cl)ccc3Cl)c(C(N)=O)c2C1 4072612 WGKRKOHOIQWOOL-MRVPVSSYSA-N 383.300 4.531 0 40 GJAB O=C(Oc1ccc([C@@H]2N=C(O)c3ccccc3N2)cc1)c1ccccc1Cl 4108254 MDZQMLIJAHQYBK-IBGZPJMESA-N 378.815 4.988 0 40 GJAB O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2ccccc2s1 4304746 GWIDMJPECVZANR-UHFFFAOYSA-N 389.480 4.694 0 40 GJAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)c1 4703936 AQYUVNSERLBIMS-INIZCTEOSA-N 397.544 4.591 0 40 GJAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)C)cc3n2)cc1 4739336 YXMBKPIXUGLYLU-UHFFFAOYSA-N 379.508 4.560 0 40 GJAB COc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)Nc2ccccc2C)C3)cc1 4887952 FMLBJFYOCYDRPC-SEJPIABJSA-N 393.531 4.711 0 40 GJAB O=C(O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)C1CC1 4966382 DDFSFJYGYUAMQO-MRXNPFEDSA-N 397.780 4.992 0 40 GJAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc2c(c1)Cc1ccccc1-2 5163745 DSZLDNLSRMILDY-FQFCXHBISA-N 392.502 4.895 0 40 GJAB CC(C)Cc1nc2sc3c(NCc4ccccn4)ncnc3c2c2c1CCC2 5321566 QCYUEBBYLKUDNE-UHFFFAOYSA-N 389.528 4.934 0 40 GJAB C=C1c2cc3c(cc2CCN1C(=O)c1ccccc1C(F)(F)F)OCCCO3 5428593 WTYOCYDYUCSUBF-UHFFFAOYSA-N 389.373 4.536 0 40 GJAB C[C@@H](OC(=O)c1ccc2ccccc2n1)C(=O)Nc1cc(Cl)cc(Cl)c1 5844912 IHXMZAYPKRHDEK-LLVKDONJSA-N 389.238 4.726 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](Nc1ccc2c(c1)OCO2)c1ccccc1 6284803 QBNAXQBCHOBNHB-JOCHJYFZSA-N 390.439 4.606 0 40 GJAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 6327027 MYPIXCVKZDAXQV-JAIQZWGSSA-N 392.480 4.830 0 40 GJAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 6629883 XCSRWHKHVOQXBO-UHFFFAOYSA-N 397.588 4.953 0 40 GJAB OC1=N[C@H](c2ccccc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 6732673 XGNBUMIYSJJQQO-FQEVSTJZSA-N 375.497 4.735 0 40 GJAB COc1ccccc1NC(=O)c1nc(SCc2ccccc2C)ncc1Cl 6748148 XBUMZEBIILCLBR-UHFFFAOYSA-N 399.903 4.992 0 40 GJAB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N[C@H]1CCCc2ccccc21 7129975 OCMAFIKYGVCLRV-JXFKEZNVSA-N 391.540 4.762 0 40 GJAB CCOc1ccc(-c2c(NCCOC)oc3c2c(=O)oc2ccccc23)cc1 7636150 MOYFIVWEAKKSND-UHFFFAOYSA-N 379.412 4.663 0 40 GJAB CCN(C(=O)c1cncn1-c1ccc(F)cc1)c1nc2c(C)cccc2s1 7736372 PZPUFMNNQZYMSY-UHFFFAOYSA-N 380.448 4.596 0 40 GJAB O=C(Nc1c(C(=O)Nc2ccc(F)cc2)oc2cccnc12)c1cccs1 9108463 NFDMKQDAHZXBID-UHFFFAOYSA-N 381.388 4.533 0 40 GJAB O=C(NCC(F)F)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12366510 SBFDFOSRHAYPGT-UHFFFAOYSA-N 399.437 4.820 0 40 GJAB O=C(c1csc(-c2ccccc2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1 12535262 RWQCUWQEQIJNIH-UHFFFAOYSA-N 388.496 4.706 0 40 GJAB C[C@@H](SCc1ccc(Cl)cc1)C(=O)N1c2ccccc2NC(=O)C1(C)C 12576800 OURYRBWVTLHAOE-CYBMUJFWSA-N 388.920 4.726 0 40 GJAB CSc1ccc(CN(C)C(=O)c2ccc(OCc3cscn3)cc2)cc1 12757593 XBVRLGZLPRNWEI-UHFFFAOYSA-N 384.526 4.716 0 40 GJAB CSc1cccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)c1 12819195 LQNFVRZTECPMMM-UHFFFAOYSA-N 384.530 4.667 0 40 GJAB COc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc(OC)c1OC 13713676 KXCNIFMAXYQPCY-JOCHJYFZSA-N 387.439 4.702 0 40 GJAB COc1cc(C)c(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1OC 14093119 WGLVNXYRTGGWEF-UHFFFAOYSA-N 395.430 4.983 0 40 GJAB CCC[C@H](C(=O)Nc1ccccc1I)c1ccccc1 14429457 QQTBQYAUYWXGNJ-AWEZNQCLSA-N 379.241 4.814 0 40 GJAB O=C(CCc1nc2ccccc2s1)OCc1nc2ccccc2n1C(F)F 14815443 SDESPJIJNLRDTC-UHFFFAOYSA-N 387.411 4.717 0 40 GJAB COCCc1ccc(-c2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)cc1 18830123 GHLGUEIXGCAXTP-UHFFFAOYSA-N 391.496 4.662 0 40 GJAB CC[C@H](C)Oc1cccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)c1 20412391 FYKGZKXWLHDVGP-LBPRGKRZSA-N 384.457 4.513 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1Cl 20456994 XUYPKXUMQUDQPS-CQSZACIVSA-N 375.852 4.540 0 40 GJAB CCn1c(C)c(C(=O)N2CCc3[nH]c4ccccc4c3C2)c2cc(OC)ccc21 20762731 NTRPOCHAGCCCSA-UHFFFAOYSA-N 387.483 4.658 0 40 GJAB biogenic CC(C)(C)c1cc([C@H](c2ccncc2)N2CCOCC2)cc(C(C)(C)C)c1O 21673405 BKNZBXOKANILIF-NRFANRHFSA-N 382.548 4.804 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(CC)sc2c1 22255183 KGDMVURACLHYEU-UHFFFAOYSA-N 396.921 4.712 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)c3c(C)noc3n2)s1 22311220 MDDOOFONFCQEOJ-UHFFFAOYSA-N 399.501 4.795 0 40 GJAB CN(Cc1nc(O)c2sc(-c3ccc(Cl)cc3)cc2n1)Cc1ccco1 25605125 RDRJLRUTMRGNFH-UHFFFAOYSA-N 385.876 4.942 0 40 GJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)/C=C/c1ccc2c(c1)OCO2 30317209 GBOPTADUYAVKAN-WNPFHQFXSA-N 378.255 4.955 0 40 GJAB COc1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1OC(F)F 32925344 MMSBKQQQZYGLLR-UHFFFAOYSA-N 390.308 4.637 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(C)o1)c1ccccc1 32950437 RDUDEZGLDUCIFB-HXUWFJFHSA-N 379.412 4.524 0 40 GJAB COc1ccc(-c2cc(C(F)F)nc(NCc3ccc(F)cc3)n2)cc1OC 36613986 AODDIYONHTZMFX-UHFFFAOYSA-N 389.377 4.850 0 40 GJAB Cc1cc([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)c(C)s1 40074261 GZKNAVHINVBIHQ-UZLBHIALSA-N 386.561 4.695 0 40 GJAB CCc1ccc(Nc2ncccc2S(=O)(=O)Nc2ccc(CC)cc2)cc1 67244840 IOCBLGMCKHUNHN-UHFFFAOYSA-N 381.501 4.751 0 40 GJAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1Cl 67295473 AUQGARMAKMMEMA-DAFNUICNSA-N 396.805 4.981 0 40 GJAB CC(C)n1cc(CCC(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc21 79490179 AQLXOKOHEUAENM-HSZRJFAPSA-N 376.500 4.755 0 40 GJAB O=c1[nH]c(Cc2ccc(OC(F)(F)F)cc2)nc2sc3ccccc3c12 84593406 GJVTWUAIELHFDZ-UHFFFAOYSA-N 376.359 4.627 0 40 GJAB C[C@H](NC(=O)/C=C/c1c(Cl)nc2sccn12)C12CC3CC(CC(C3)C1)C2 84633268 JVIWSSFPMYENFZ-MJIXDGDESA-N 389.952 4.784 0 40 GJAB COc1cccc(-c2nsc(NC(=O)N3CCC(c4ccccc4)CC3)n2)c1 95996451 BWVGWKIPNDJBRD-UHFFFAOYSA-N 394.500 4.625 0 40 GJAB CN(C(=O)/C=C(\c1ccccc1)C(F)(F)F)[C@@H]1CCCN(c2ccccc2)C1 98010213 QXNVVVVHDHYSGS-NGYXKBBWSA-N 388.433 4.760 0 40 GJAB S=C(Nc1ccccc1Cl)NC1C[C@H]2CC[C@H](C1)N2Cc1cccs1 100423793 DZIOGDUMPKOZMC-HUUCEWRRSA-N 391.993 4.884 0 40 GJAB CCNc1c(NC(=O)Nc2cc(Cl)ccc2OC)c(=O)oc2ccccc12 101094749 FGGZJEYAKRSBCQ-UHFFFAOYSA-N 387.823 4.531 0 40 GJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1[C@@H](C)CCC[C@H]1C 102514662 ZREUTFRQWGQGFH-MJBXVCDLSA-N 390.578 4.612 0 40 GJAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)c1ccc(OC)c(OC)c1 219299702 ATYHUMZZQGZZKU-VQIMIIECSA-N 385.504 4.862 0 40 GJAB C[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc2c(c1)CCC2 223203218 QHFFAAOSIHJTOE-LBPRGKRZSA-N 384.328 4.663 0 40 GJAB Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1C 223471072 DYDRAQWJZMVFGB-LJQANCHMSA-N 382.523 4.840 0 40 GJAB Cc1cc(C)c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C 225648337 HTZHHGGJUGJYHL-UHFFFAOYSA-N 376.422 4.593 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C(=O)OCC 225858002 ABZXAPTWSQYQSC-QFIPXVFZSA-N 391.508 4.576 0 40 GJAB COCCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C 225863607 BAWNVNTUAAJYEJ-UHFFFAOYSA-N 388.895 4.519 0 40 GJAB Cc1ccccc1C1(NC(=S)Nc2ccc(N3CCCC3=O)cc2)CCCC1 225865124 ZIYNZIGRZRKHCB-UHFFFAOYSA-N 393.556 4.878 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c(C)c1 243218145 KJBKLNGVJSQTAB-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)c1 408693987 GNUPRXPEOVTQSZ-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB CC(C)CN1CCCCCOc2ccc(C(=O)O)cc2Cc2cccc(c2)C1 643583051 KHSUVHHBBMHRKW-UHFFFAOYSA-N 381.516 4.996 0 40 GJAB COc1cccc(-c2ccc([C@H]3C[C@@H](NC(C)=O)[C@@H]4CCCC[C@H]4O3)cc2)c1 2037843550 FJSKGXXJMMBGIR-OLKYXYMISA-N 379.500 4.887 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 867607 MBYLVVCXIOTRGJ-UHFFFAOYSA-N 390.468 4.567 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nnc2c(C)cc3ccc(C)c(C)c3n12 903193 HLQZFXLNXLWRRI-SFHVURJKSA-N 396.560 4.691 0 40 GJAB COc1ccc(NCN2C(=O)S/C(=C/c3ccc(C)cc3)C2=O)cc1Cl 1013693 JWUVLTBYGIUWBA-RQZCQDPDSA-N 388.876 4.763 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 1024743 DONLIGMQLJQQHC-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1I 1037063 ZNENNTRRSXHXRV-UHFFFAOYSA-N 391.130 4.562 0 40 GJAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(Cl)c3)o2)cc1 1224415 PAUJEZSIWRBTCE-LLVKDONJSA-N 389.864 4.518 0 40 GJAB CCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccc(F)cc2)cc1OCC 1324465 WPNWANNAXNUMGA-UHFFFAOYSA-N 388.439 4.614 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3324609 VKTMCODQRPPNNX-UHFFFAOYSA-N 387.479 4.954 0 40 GJAB CCN(Cc1ccccc1)C(=O)CSc1nc(C)nc2sc(C)c(C)c12 3339798 DGJXNTSKBVZQAP-UHFFFAOYSA-N 385.558 4.757 0 40 GJAB Cc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccccc3Cl)n2)cc1 3367090 NGGYONVQLLCAIT-UHFFFAOYSA-N 399.903 4.531 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)c(OC)c1 4176314 ZNPHTSGFLZAIQC-UHFFFAOYSA-N 397.481 4.689 0 40 GJAB CCOc1ccccc1CNc1ncc(-c2ccc(Br)cc2)n1C 4678243 GBCZLORCFRZRTP-UHFFFAOYSA-N 386.293 4.860 0 40 GJAB Cc1cccc(NC(=S)N2[C@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c1C 4857441 JZRBXOHJGFWJHT-AYHJJNSGSA-N 387.593 4.548 0 40 GJAB Cc1ccc(/N=c2\scc(-c3cccs3)n2CCCN2CCOCC2)cc1 4940146 RFSMBWFYYFBMPO-DQRAZIAOSA-N 399.585 4.541 0 40 GJAB O=C(O)c1ccccc1-c1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 5084558 PRGNQSKIPBCGFY-UHFFFAOYSA-N 375.468 4.750 0 40 GJAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc2c(c1)CCC2 5332582 GIYQOECXIHBKKK-UHFFFAOYSA-N 393.487 4.883 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 6036220 IOOKJGQHLHXYEF-FFFIEFPASA-N 388.548 4.894 0 40 GJAB in-vitro O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc2ccccc2c1 6529824 SHQUSGMGXNNNBO-UHFFFAOYSA-N 392.414 4.893 0 40 GJAB CC(=O)Nc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)cc1 7167751 DYWJLQDLWLBOLS-HAHDFKILSA-N 396.446 4.681 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 7881992 TXWCLQVAXPKODP-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCCC3)c1C 8030686 BGRYUFVZVYDHHE-UHFFFAOYSA-N 384.545 4.735 0 40 GJAB Cc1cnc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)s1 8133283 ZFEGQBQILKOUGR-UHFFFAOYSA-N 376.437 4.786 0 40 GJAB Fc1ccc(OCc2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)cc1 8393338 IUXVDPBFWNPFQC-UHFFFAOYSA-N 395.246 4.878 0 40 GJAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2C)c1 9019035 VQYZTIZHFCTULJ-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB CCC(=O)N([C@H]1CCOC(C)(C)C1)[C@@H](c1ccccc1)c1ccc(OC)cc1 9481491 OAXFOJNYTWODFB-REWPJTCUSA-N 381.516 4.981 0 40 GJAB COc1cccc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 10235644 GHLDGTGPEJIYCR-UHFFFAOYSA-N 386.904 4.978 0 40 GJAB O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1cccc(Cl)c1 10338785 LPPUVAJKHWJQBO-UHFFFAOYSA-N 397.261 4.508 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1Br 10553942 PPDWOMYQXIKJQZ-UHFFFAOYSA-N 393.262 4.735 0 40 GJAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2c[nH]nc2-c2cccnc2)cc1 10950320 CDAFOSCKKTYYPJ-HSZRJFAPSA-N 395.466 4.547 0 40 GJAB CCCn1ccnc1SCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 11234412 XFJHUEFXYCGFSO-IBGZPJMESA-N 393.512 4.552 0 40 GJAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cc(=O)c2ccccc2o1 11552035 KBJLXCQPFGXVOT-UHFFFAOYSA-N 396.855 4.746 0 40 GJAB Cc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc4nccnc4c3)C2)cc1 12420806 PTAZMBOOICOCRH-NRFANRHFSA-N 382.423 4.523 0 40 GJAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](Cc3ncc[nH]3)c3ccccc3)o2)cc1 12549887 PLECVWDLMIKCIG-HXUWFJFHSA-N 399.450 4.586 0 40 GJAB CC(=O)c1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cc1 12762907 QCIPVLHTCPZNEL-HSZRJFAPSA-N 390.508 4.537 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)N(C)c3nc4ccccc4s3)o2)cc1 12775448 VHWOWEUPRIELLR-UHFFFAOYSA-N 377.469 4.855 0 40 GJAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)cc1 12810755 HUGRYXWNYAPZCX-FQEVSTJZSA-N 394.544 4.730 0 40 GJAB O=C(Nc1cccc(NC(=O)c2ccc(CSC(F)F)o2)c1)c1ccco1 13005398 FVILHHZAZAPTCS-UHFFFAOYSA-N 392.383 4.833 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 13710025 ZRJKBLQYYJJRHV-CQSZACIVSA-N 375.852 4.703 0 40 GJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2F)c(OC)c1 13759139 MVSZIESXWTZSRG-TUACAJSNSA-N 399.506 4.711 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 15880958 CAVDCOIIFVXJNR-UHFFFAOYSA-N 385.876 4.538 0 40 GJAB COc1ccc(-c2nc(/C=C/C(=O)NCc3cccc(Cl)c3)cs2)cc1 16199678 BUJNIBNQLMDMDE-JXMROGBWSA-N 384.888 4.802 0 40 GJAB COc1ccccc1-c1nc(-c2ccc(NC(=O)c3cccs3)cc2)no1 17077181 AMUGHYWRHMOXBR-UHFFFAOYSA-N 377.425 4.726 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)ccc1Cl 20456491 PPFQZVBAUJCYFO-QGZVFWFLSA-N 396.270 4.966 0 40 GJAB CCOc1cc(/C=C/C(=O)N2CCc3sccc3[C@@H]2C)ccc1OC(F)F 21638942 QQIJLNMJZXCTCU-IYNGYCSASA-N 393.455 4.907 0 40 GJAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1(C)C 22006673 YWANYZNFTRQIOX-MSOLQXFVSA-N 380.454 4.592 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1 24050790 VUROBHXBOBRNHH-UHFFFAOYSA-N 385.423 4.926 0 40 GJAB CC(C)[C@H](C(=O)N[C@H](c1ccccc1)c1nccn1C)c1ccc(Cl)cc1 25051036 OTQGRPSQMCKTNU-VQTJNVASSA-N 381.907 4.719 0 40 GJAB COc1cccc(-c2nc(C(=O)N(C)[C@@H](C)c3ccccc3)cs2)c1OC 25617808 KYPZOXVEGCHWOC-AWEZNQCLSA-N 382.485 4.661 0 40 GJAB CCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)cc1 27749853 ZGYVJKRETFTRBZ-UHFFFAOYSA-N 378.211 4.751 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](NCCc1cccs1)c1ccccc1 35336622 NSYSZHJKEBRYMD-OAQYLSRUSA-N 380.513 4.659 0 40 GJAB Cc1ncc(NC(=O)c2c(F)cccc2F)n1-c1nc(-c2ccccc2)cs1 35682916 NJPQZKSWCOGPHI-UHFFFAOYSA-N 396.422 4.835 0 40 GJAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36615902 PWXWBKPAUHCDQH-HNNXBMFYSA-N 388.446 4.667 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3c4ccccc4C[C@H]3C)c3c(C)nn(C)c3n2)cc1 36616898 BKPBXTWAIDTJCF-MRXNPFEDSA-N 396.494 4.844 0 40 GJAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1nnc(Cc2ccccc2)s1 43362839 SANZPMIGOZZCMH-HNNXBMFYSA-N 384.530 4.732 0 40 GJAB CN(Cc1cc(Br)cs1)C(=O)CCSc1ccc(F)cc1 57594164 NMBUFGHEJNQVBA-UHFFFAOYSA-N 388.327 4.791 0 40 GJAB O=S(=O)(Nc1ccc2nc(C3CC3)sc2c1)c1ccccc1C(F)(F)F 63879479 FDOJEELXFREING-UHFFFAOYSA-N 398.431 4.993 0 40 GJAB COc1ccccc1CNC(=O)/C=C/c1cc2cc(Br)ccc2o1 67339392 HGIODDDTPXEGKH-VQHVLOKHSA-N 386.245 4.534 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(Cc1ccc(O)cc1)Cc1ccco1 69419416 LMYCUZCKDFPHST-OAHLLOKOSA-N 385.847 4.635 0 40 GJAB Clc1cc(-c2cc(Cl)ncc2Br)c(Br)cn1 95611741 XOVNLSUYCAEACP-UHFFFAOYSA-N 382.870 4.975 0 40 GJAB Cc1ccc(C)c(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)c1 100033761 ALLNYIOJYVHOJJ-HNAYVOBHSA-N 387.277 4.836 0 40 GJAB COc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)ccc1OC(C)C 100765542 ICXFAVTXFRSQJB-RTBURBONSA-N 399.506 4.636 0 40 GJAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CCCN1C(=O)C1CCCC1 106736618 YYRDLWWYBDFQNZ-OAQYLSRUSA-N 377.488 4.550 0 40 GJAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)o1 107813190 ZYJCLHOJJMAXFO-GZTJUZNOSA-N 399.468 4.600 0 40 GJAB Cc1ccccc1-c1noc(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1 169890225 VMCMLDHFPOFPPW-UHFFFAOYSA-N 375.350 4.635 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 219335350 BFWBPNRBVREWGT-QGZVFWFLSA-N 399.516 4.621 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1F 219605048 HVNIJPNZWCXQQF-GOSISDBHSA-N 381.900 4.686 0 40 GJAB O=C(CSCc1ccccc1F)NCCSCc1ccc(Cl)cc1 222699150 SRGYMXXKKAAKCP-UHFFFAOYSA-N 383.941 4.762 0 40 GJAB CCc1ccc(OCC(=O)NCc2ccc3ccccc3c2)c(Br)c1 222786620 CMHWPQKAGSOEKG-UHFFFAOYSA-N 398.300 4.860 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 225484478 VKFOZTUVURCAMB-OFNKIYASSA-N 394.559 4.568 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Br)cc2)cc1C 225789256 JAOVFELXDVBQFD-CQSZACIVSA-N 393.350 4.820 0 40 GJAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(Br)c1O 226243204 HXGAZUCVHISAMY-UHFFFAOYSA-N 398.684 4.913 0 40 GJAB O=C(Nc1ccc2nc(-c3cccc(Br)c3)oc2c1)C(F)(F)F 226270887 YWQLFWBDZWLEDT-UHFFFAOYSA-N 385.139 4.758 0 40 GJAB O=C(N1CC[C@@H](Oc2cccc3cccnc23)C1)C1(c2cccs2)CCCC1 238815659 BKDJQEJJFBPADP-GOSISDBHSA-N 392.524 4.788 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257259865 LAIVVZRPHVZTCX-MRXNPFEDSA-N 387.892 4.661 0 40 GJAB Cc1cccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)c1C 409239770 QGSTZLRDJAJPSH-UHFFFAOYSA-N 396.556 4.728 0 40 GJAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1C[C@H](C)c2ccccc21 549819360 YJZVUIHWELRIHK-AWEZNQCLSA-N 379.891 4.835 0 40 GJAB Cc1noc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1C 984148 DBAVNSPFBOXPHM-UHFFFAOYSA-N 380.014 4.706 0 40 GJAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC(C)C)c2c1 1367362 IDVWNMCGMBXEKF-UHFFFAOYSA-N 383.492 4.615 0 40 GJAB Cc1cc(C)c(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(OCC(C)C)n1 1388739 WGOJTFFHNOZQRC-UHFFFAOYSA-N 387.423 4.585 0 40 GJAB CSc1ccc([C@@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1 1411892 PULLKCHXGCWCRF-HXUWFJFHSA-N 378.522 4.752 0 40 GJAB S=C(Nc1ccccc1)Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1 1462726 HFZBTCXFGRBKCG-UHFFFAOYSA-O 389.529 4.896 0 40 GJAB CCOCCCNCc1cc(Br)ccc1OCc1ccccc1 2178104 RQSAILWUCHXXNX-UHFFFAOYSA-N 378.310 4.544 0 40 GJAB COc1ccc2[nH]c(C)c(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1 2220495 UJRNNYUYDQKVSD-UHFFFAOYSA-N 376.500 4.622 0 40 GJAB CCOc1ccc([C@@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1 2307267 IAQKSXRFJKPYOR-INIZCTEOSA-N 383.498 4.521 0 40 GJAB O=C(O)/C=C/c1c(-c2ccc(Cl)cc2)nc2ccc(Br)cn12 2599608 KJBFBZRVTKZRRG-SOFGYWHQSA-N 377.625 4.515 0 40 GJAB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1 2917627 ANYUVTCTLKSNBQ-UHFFFAOYSA-N 375.906 4.898 0 40 GJAB COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4077178 UWIHXBHCDAUWAC-UHFFFAOYSA-N 385.876 4.533 0 40 GJAB Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccc(Br)cc1 4189189 NZCPKPRXOSFOSZ-UHFFFAOYSA-N 396.697 4.551 0 40 GJAB CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)c1 4487809 RPPBIUXKEUZGLX-UHFFFAOYSA-N 396.468 4.660 0 40 GJAB O=C(O)c1cc(NCc2ccc(-c3ccccc3)cc2)ccc1N1CCOCC1 4703567 VQUMNCICCIYPIM-UHFFFAOYSA-N 388.467 4.501 0 40 GJAB CCc1c(C)sc2nc(C)nc(SCC(=O)Nc3cccc(F)c3)c12 4888815 BZEFHUFLHIGRRJ-UHFFFAOYSA-N 375.494 4.740 0 40 GJAB Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2c(C)cccc2C)c2ccsc2)cc1 5451948 PCRHHFTVOMUEIN-HSZRJFAPSA-N 390.508 4.944 0 40 GJAB CCCCCCNC(=O)/C(=C\C=C/c1ccccc1)NC(=O)c1ccccc1 5854817 DJDQVIVKUNIWPQ-YAQOHLEHSA-N 376.500 4.710 0 40 GJAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCC(C)C)nc2c1 6589451 CIGQVSGBMONCRW-UHFFFAOYSA-N 380.513 4.775 0 40 GJAB CC(=O)Nc1ccc(-c2nc(CC(=O)Nc3ccccc3C)sc2C)cc1 7736652 FKKJONXJIKFVKW-UHFFFAOYSA-N 379.485 4.567 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc4c(c3)CCC4)cc2)cc1 7888992 DJORWLCRMWYMFJ-UHFFFAOYSA-N 386.451 4.689 0 40 GJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCCCCC1 7912473 URZQRTMURQTUIU-UHFFFAOYSA-N 375.472 4.564 0 40 GJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 7928860 ODLJYIBDLLYVDI-XMSQKQJNSA-N 385.463 4.869 0 40 GJAB CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1nc2ccc(F)cc2s1 7989323 KOCXRWBVPTVULP-UHFFFAOYSA-N 381.379 4.701 0 40 GJAB Clc1ccc(OCc2nnc3sc(-c4cccs4)nn23)c(Cl)c1 8991415 SBRBVLUKNMAJQT-UHFFFAOYSA-N 383.285 4.800 0 40 GJAB Cc1ccc(OCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c2c1[C@H](C)CC2=O 11052938 REKSUVGBHVQOOI-IQMFZBJNSA-N 383.463 4.716 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c(OC)c1 11461890 PGYNKOAHBDVOOG-UHFFFAOYSA-N 395.440 4.529 0 40 GJAB CC(C)c1ccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 12440947 GYNZQLXMBIHRMA-UHFFFAOYSA-N 393.462 4.592 0 40 GJAB CCCCc1noc(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)n1 12644090 CVSAEAHFWQEYCY-UHFFFAOYSA-N 395.488 4.854 0 40 GJAB CN(C(=O)c1cc(Br)c(Br)s1)c1ccccc1 12916536 NCUKWEZWSDUXAT-UHFFFAOYSA-N 375.085 4.550 0 40 GJAB Cc1cc(C(=O)COc2ccc(Br)cc2)c(C)n1-c1nccs1 12918957 QBZHUAMSURDBRK-UHFFFAOYSA-N 391.290 4.575 0 40 GJAB Cc1cc(C)c(NC(=O)CCc2c(C)nc(SC(F)F)nc2C)c(C)c1 12972901 YTCXKEPMZKRNIC-UHFFFAOYSA-N 379.476 4.905 0 40 GJAB Cc1cccc(NC(=O)Nc2nc(C)c(C(=O)NCC3CCCCC3)s2)c1 13010295 DGWIYGCKRXUBTG-UHFFFAOYSA-N 386.521 4.714 0 40 GJAB CC(C)c1nnc(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)s1 16965906 DRKIAJVEPAVAFL-GQCTYLIASA-N 375.803 4.986 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1Cl 20492056 VJQGAZKQZCZSJQ-KBXCAEBGSA-N 388.895 4.664 0 40 GJAB Brc1cccc(CSc2nnc3sc4ccccc4n23)c1 21243931 XIJHYHWEDXGXSQ-UHFFFAOYSA-N 376.304 4.999 0 40 GJAB CCOc1cc(/C=C/C(=O)NCC2(c3ccccc3)CC2)ccc1OC(F)F 22521727 QGICAEIZHORELL-PKNBQFBNSA-N 387.426 4.548 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccc1 22750095 COTGUHPMGVOYRI-KRWDZBQOSA-N 381.888 4.808 0 40 GJAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc(OC(F)F)cc1 23116989 GTVZHFYZCCCQKI-UHFFFAOYSA-N 378.375 4.732 0 40 GJAB Cc1c(C(=O)Nc2ccc(F)cc2F)cnn1-c1cccc(C(F)(F)F)c1 24353118 SWNIDUBNUNDPTK-UHFFFAOYSA-N 381.304 4.730 0 40 GJAB C[C@@H](Sc1nncc2ccccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 24771982 WSTGHCHDMCJQHB-LLVKDONJSA-N 393.390 4.648 0 40 GJAB Cc1ccc(-c2noc(CN3CCC(CCc4ccc(O)cc4)CC3)n2)cc1 26114407 PGFUSMUNWIRSQF-UHFFFAOYSA-N 377.488 4.595 0 40 GJAB Cc1ccc(NC(=O)Cn2c(COc3cccc(C)c3)nc3ccccc32)cc1 31903555 QGKOHIXKOGOTFL-UHFFFAOYSA-N 385.467 4.871 0 40 GJAB Fc1ccc(-c2ccc(SCc3nc(-c4ccc(F)cc4)no3)nn2)cc1 33262510 RNQFSBVUUGPKMC-UHFFFAOYSA-N 382.395 4.764 0 40 GJAB COc1cccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 38834179 NXJWWJDVIHZRMJ-CQSZACIVSA-N 393.314 4.853 0 40 GJAB COc1cccc([C@H]2CCCN2C(=O)c2ccc(Br)cc2F)c1 40034411 GTAKPKDVHYUINH-QGZVFWFLSA-N 378.241 4.574 0 40 GJAB O=C(NCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1cccs1 40196975 QEDYMCJLTOTUNW-UHFFFAOYSA-N 399.878 4.869 0 40 GJAB Cc1nn2c(ncc3c(=O)n(CCC4=CCCCC4)ccc32)c1-c1ccccc1 40396237 PLEPSVWUOBMMPA-UHFFFAOYSA-N 384.483 4.910 0 40 GJAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1cccc(Cl)c1 51315170 WSURBDUWGVEYDE-UHFFFAOYSA-N 393.624 4.510 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1C 59227367 MUTQFEYACFMVSE-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB COc1ccc(CNC(=O)[C@@H](c2ccccc2)c2cc(Cl)ccc2O)cc1 59483646 BPEUOIGBMBZCAE-NRFANRHFSA-N 381.859 4.503 0 40 GJAB Cc1cccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)c1 64787987 NBUWCPWQDWJIRO-UHFFFAOYSA-N 395.871 4.637 0 40 GJAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccc(F)c(Cl)c1 67295482 CXSDTKLEULZTEE-DAFNUICNSA-N 396.805 4.981 0 40 GJAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCCN2C=O)cn1 72215835 NESNEZPOGBWMEV-LJQANCHMSA-N 381.476 4.838 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(OC)cc3)[nH]n2)cc1 72331584 KRSVXQWYPMGWKZ-MRXNPFEDSA-N 393.487 4.755 0 40 GJAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)c3scnc3C)n2)cc1 72358076 RJDLPVWSICROFS-FQEVSTJZSA-N 377.513 4.723 0 40 GJAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)c2ccccc2F)C1 72396194 PKOKLHVXTKBKPK-HXUWFJFHSA-N 377.463 4.514 0 40 GJAB Clc1ccc(C2=C[C@@H](c3cccc(Cl)c3Cl)n3nnnc3N2)cc1 101148375 DXGVWNBOSRMDFL-AWEZNQCLSA-N 378.650 4.689 0 40 GJAB CC(C)(C)N/C=C1/C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 102944420 LOARIVPGQLCECN-NTCAYCPXSA-N 388.389 4.621 0 40 GJAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC(C)C 222929659 CMEYHEPTWPLFLJ-YADHBBJMSA-N 390.556 4.809 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN(C)c1ccccc1 222942459 SNKCLFSASHZIOL-JOCHJYFZSA-N 382.548 4.784 0 40 GJAB C[C@H](CNC(=O)CSCc1ccc(Br)cc1)c1ccccc1 223453950 DFFPTCWCLFYIDW-CQSZACIVSA-N 378.335 4.602 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 224286280 XPALBMUWEGBNSB-SFHVURJKSA-N 377.484 4.755 0 40 GJAB CCCCOCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC 224439346 DYSCLTNZTLPIBO-UHFFFAOYSA-N 377.868 4.926 0 40 GJAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 224976542 DFMVCXMHZWQGEG-OALUTQOASA-N 398.572 4.501 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(OC)c2ncccc12)c1ccc(OC)cc1 225491444 KVKNPGRSQQDYFE-QGZVFWFLSA-N 381.501 4.690 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225623003 NBYZTEJFSXBZJX-WMZHIEFXSA-N 390.568 4.864 0 40 GJAB Cc1cc(C)c(OCC(=O)Nc2cc(C)c(O)c(Br)c2)c(Cl)c1 226243280 DEYAQKRWYJQBMW-UHFFFAOYSA-N 398.684 4.751 0 40 GJAB CCOc1cc(CNc2ccc(C)cc2)cc(I)c1OC 409110225 UNJDWLDTOCEYAU-UHFFFAOYSA-N 397.256 4.619 0 40 GJAB CC(=O)c1ccc2c(c1)CCN(C(=O)[C@H]1C[C@H]1c1ccc3ccccc3c1)CC2 534410037 DWZDBHNAZAKYJT-DQEYMECFSA-N 383.491 4.773 0 40 GJAB O=C(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)N[C@@H]1CC12CCOCC2 581114992 NOEIZFZZNATDND-CQSZACIVSA-N 397.422 4.520 0 40 GJAB O=C(NC1(c2ccc(Br)cc2)CCCCC1)c1ocnc1C(F)F 585124003 ZTMOVMDTFWRIQR-UHFFFAOYSA-N 399.235 4.964 0 40 GJAB COc1ccc([C@@H](NC(=O)Nc2cccc3c2ccn3C)C(C)C)cc1OC 604418890 RTWOIGZGTIRRDF-NRFANRHFSA-N 381.476 4.714 0 40 GJAB O[C](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1 1560410031 PNZUWEQIYHYGLC-GFCCVEGCSA-N 377.308 4.667 0 40 GJAB O=C(Nc1cccc(NCc2cccc3c2OC(F)(F)O3)c1)c1cccs1 1620734125 RDZVOCXVXSXJFT-UHFFFAOYSA-N 388.395 4.934 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)Nc1ccccc1C(F)(F)F 1775968315 BXOZJJLQBXXIFG-CYBMUJFWSA-N 396.390 4.882 0 40 GJAB COc1cc(C(=O)N2CCc3ccccc32)ccc1OCc1cccc(F)c1 973899 KQLRIJXPQQUEFA-UHFFFAOYSA-N 377.415 4.616 0 40 GJAB Cc1ccc(C(=O)N[C@@H](Nc2ccccc2F)C(Cl)(Cl)Cl)cc1 1231034 LXGFOVYAJYIJAP-OAHLLOKOSA-N 375.658 4.672 0 40 GJAB CC(C)c1nc(SCC(=O)N2CCCC2)c2c3c(sc2n1)C[C@H](C)CC3 1375670 FHMYAMCZSBMHNS-CYBMUJFWSA-N 389.590 4.654 0 40 GJAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)c(OC)c1 2107162 HHQJJPINVCIKAC-QLBJFCOMSA-N 395.543 4.881 0 40 GJAB biogenic CCOc1cc(C(=O)Nc2nc3ccccc3s2)cc(OCC)c1OCC 2748961 QVGSFVSRQMJUQL-UHFFFAOYSA-N 386.473 4.745 0 40 GJAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N(C)c2ccccc2)c1C 3292472 BXPIOCNXDKQZSC-UHFFFAOYSA-N 388.467 4.867 0 40 GJAB COc1ccc(C(=O)CSc2nnc(Nc3cccc(C)c3C)s2)cc1 3299071 XJQHZNYOYKWQFD-UHFFFAOYSA-N 385.514 4.882 0 40 GJAB O=C(Cc1ccccc1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 4247287 KZYXQPMJBTVKOG-UHFFFAOYSA-N 376.403 4.934 0 40 GJAB CN(C)CCCN(C(=O)c1cccs1)c1nc2ccc(Cl)cc2s1 4359643 AJWSXEGNYIKEBE-UHFFFAOYSA-N 379.938 4.610 0 40 GJAB COc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 4424250 PHKVIRMTMAZKOL-PGRDOPGGSA-N 378.403 4.978 0 40 GJAB O=C(CSc1nnc(-c2ccncc2)o1)N(c1ccccc1)c1ccccc1 4619676 CJFPTAHVPBBHNY-UHFFFAOYSA-N 388.452 4.589 0 40 GJAB Cc1cc(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)c2ccccc2n1 4766543 IPOQSDLSYVASBS-UHFFFAOYSA-N 376.456 4.771 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 4881163 KEBQIEPOMBGNFR-UHFFFAOYSA-N 391.210 4.687 0 40 GJAB Cc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc3c(c2)OCO3)cc1 5325314 CRUNYVMRLSGGHI-UHFFFAOYSA-N 399.402 4.749 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 6657339 HKOWANDXLZBPRB-OQLLNIDSSA-N 391.832 4.745 0 40 GJAB COc1ccc(CN(C)C(=O)c2ccccc2OCc2ccc(F)cc2)cc1F 7784282 POKRQBAMMHVEOM-UHFFFAOYSA-N 397.421 4.825 0 40 GJAB CC(C)[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCCCO2 7986037 VHWYILLEKWLXLG-LJQANCHMSA-N 393.405 4.994 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8310447 ZBQPJADFMBCAAN-HXUWFJFHSA-N 390.483 4.657 0 40 GJAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 10089079 REFFPUMDUOYREU-INIZCTEOSA-N 380.822 4.717 0 40 GJAB O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1 10156739 SBKMGMPOJXJVGT-UHFFFAOYSA-N 397.261 4.508 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1C(F)(F)F 12548916 IWCAZFLIMBTFEH-UHFFFAOYSA-N 385.798 4.966 0 40 GJAB C/C=C/c1ccc(OCC(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)c(OC)c1 12780563 MHGPATGSKIPVHD-SOFGYWHQSA-N 396.487 4.730 0 40 GJAB COc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc(Cl)c1OC 12781062 DZCSQGZMNIWLPM-GFCCVEGCSA-N 377.893 4.888 0 40 GJAB Cc1ccccc1[C@@H](C)NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 12871261 KIPLBHZMTCJEQG-QGZVFWFLSA-N 393.556 4.662 0 40 GJAB Cc1nc(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c2c(C)c(C)sc2n1 12933104 KCGXOGYVOQPYAQ-YVLXSGLVSA-N 377.579 4.792 0 40 GJAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1ccccc1Oc1ccccc1 13100346 WJIDUVBGLZZTPO-JWGURIENSA-N 387.435 4.699 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)N[C@H](c1ncccc1C)C2 19237838 FTWBQBXVOXTLDS-CVDCTZTESA-N 378.447 4.523 0 40 GJAB COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(F)cc1)[C@@H]3c1cccnc1 19563269 ADPHVLZIYHZESK-XMMPIXPASA-N 387.458 4.858 0 40 GJAB Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)c1C 20111821 OBBMQHYXUSFYHN-FQEVSTJZSA-N 380.532 4.543 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 20616107 RGHPNVBEOSAOAW-CQSZACIVSA-N 391.496 4.895 0 40 GJAB O=C(CCCc1cccs1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 22403533 XIJZJKNHDBANQX-UHFFFAOYSA-N 386.498 4.604 0 40 GJAB CCc1nc2ccccc2n1CC(=O)N(c1ccccc1)c1nc(C)cs1 25125588 UYNVBFNPGOSZFJ-UHFFFAOYSA-N 376.485 4.729 0 40 GJAB C[C@@H](Sc1ncnc2ccsc12)C(=O)Nc1nc(-c2ccccc2)cs1 26954635 IBSBCLXNEQPFAU-LLVKDONJSA-N 398.538 4.934 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1ncnc2ccsc12 26963709 BHFIQYJPPNQABM-JTQLQIEISA-N 393.921 4.781 0 40 GJAB COc1cc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)ccn1 29195977 XKZMIJFYIUUVPG-UHFFFAOYSA-N 386.373 4.706 0 40 GJAB Cc1ccccc1-n1c(S[C@H]2CCCCCC2=O)nc2ccccc2c1=O 29328446 JHEAFFBDDHOSFL-FQEVSTJZSA-N 378.497 4.688 0 40 GJAB COc1cccc(-c2nc(C(=O)N(C)[C@H]3CCc4ccccc43)cs2)c1OC 29648454 ZBSQGRPWHKVMRW-SFHVURJKSA-N 394.496 4.587 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)c(Cl)c1 30856654 OARIWAFWKBSWQW-LJQANCHMSA-N 389.879 4.930 0 40 GJAB COc1cccc(NC(=O)[C@@H](OC(=O)c2cc(C)ccc2C)c2ccccc2)c1 32797444 LKOUWSAMPBQPOR-QFIPXVFZSA-N 389.451 4.849 0 40 GJAB COc1ccc(NC(=O)c2csc3c2CCCC3)cc1OCc1ccncc1 32833914 NWYFKVLBMWAHEA-UHFFFAOYSA-N 394.496 4.862 0 40 GJAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2cccc(OCc3cccs3)c2)c1 32914474 BQJNJKLDLLNKPE-HNNXBMFYSA-N 394.496 4.777 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c(C)c1 36616020 FHWXFMYFQBFCSA-OAHLLOKOSA-N 388.471 4.645 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 39742366 COLWSYWJFVFFST-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB Brc1ccc(CSc2nnc(C3CC3)n2Cc2ccco2)cc1 40159151 UZAIGESIFZPDIE-UHFFFAOYSA-N 390.306 4.852 0 40 GJAB Cc1cc2cc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)ccc2[nH]1 48234540 DKJWYLLHUWIJDG-UHFFFAOYSA-N 375.428 4.912 0 40 GJAB Clc1ccc(Nc2nnc(-c3nscc3NCc3cccnc3)o2)cc1 49089893 XBQMEFQKOJIWAO-UHFFFAOYSA-N 384.852 4.597 0 40 GJAB Cc1nc(-c2c[nH]c(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)c2)cs1 52526591 JWQDVJRQZGNASQ-UHFFFAOYSA-N 379.407 4.738 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412130 XHVPWCUNZVPTOD-UHFFFAOYSA-N 381.741 4.881 0 40 GJAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)NC1CCCCC1 57577636 LIRMPINFAWSPRC-UHFFFAOYSA-N 377.513 4.838 0 40 GJAB Cc1n[nH]c(-c2ccc(NC(=O)CCc3ccc(Cl)cc3Cl)cc2)n1 58156970 JCHFFSVSJYMTQE-UHFFFAOYSA-N 375.259 4.658 0 40 GJAB CSc1ccccc1C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635424 CHGOHZXVVUYYRU-INIZCTEOSA-N 381.419 4.641 0 40 GJAB O=C(c1ccncc1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357826 VVEJCUYBQNMHEO-NRFANRHFSA-N 377.875 4.698 0 40 GJAB CCN(C(=O)c1cccc(-n2ccnc2SC)c1)[C@H]1CCCc2cccnc21 97105104 MIYVRKGWVGXEDY-IBGZPJMESA-N 392.528 4.529 0 40 GJAB COc1cccc(NC(=O)[C@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)c1 100621713 QBTSPCMQWRGXCW-ZEQRLZLVSA-N 387.483 4.606 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 100743785 WTMKKAWNKUIDCR-CALCHBBNSA-N 384.524 4.609 0 40 GJAB CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C 107588938 QCEBWXQNVAWYIQ-QGZVFWFLSA-N 394.544 4.698 0 40 GJAB Cc1c(NC(=O)c2cc3c(ccc4ccccc43)o2)c(=O)n(-c2ccccc2)n1C 113941629 DYLZMNOONHIIGA-UHFFFAOYSA-N 397.434 4.636 0 40 GJAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)(C)O)[C@@]4(C)CC(=O)[C@@H]32)C1 118934313 JIYNJJIOOKOMSE-CHNJOOOQSA-N 390.564 4.527 0 40 GJAB COC(=O)c1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1Cl 218977011 RTLHMVLRUZHHRM-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB O=S(=O)(Nc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1ccccc1 225335235 CZXNORDZSZHBMN-UHFFFAOYSA-N 393.493 4.673 0 40 GJAB O=C(Cc1cccc(Br)c1)Nc1ccccc1C(=O)c1ccccc1 225622490 RZROVELSRPWOIJ-UHFFFAOYSA-N 394.268 4.861 0 40 GJAB CCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCC[C@@H](C)C1 225831475 FIHGGMBYMASEJW-VVBPWWLESA-N 391.508 4.574 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1Cl 226261862 XDEIIAPXWJJNCT-UHFFFAOYSA-N 394.302 4.827 0 40 GJAB COc1ccccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257243845 IIUOXCQJRMLURT-LJQANCHMSA-N 396.874 4.905 0 40 GJAB Cc1cccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 408620488 JMJNUXOMNFEQGV-UHFFFAOYSA-N 376.481 4.701 0 40 GJAB CCCCN1C(=O)S/C(=C\c2ccc(OCC(C)C)c(OCC)c2)C1=O 409058757 KZJYBCDLSHGQIL-PDGQHHTCSA-N 377.506 4.957 0 40 GJAB CC(C)[C@H](Oc1ccc(Br)cc1)c1noc([C@H]2C[C@@H]2C(F)F)n1 554833777 CGFVAFRBCPZAPZ-AVGNSLFASA-N 387.224 4.977 0 40 GJAB Cc1cc(CNC(=O)Cn2ccnc2)ccc1Oc1ccc(Cl)cc1Cl 568817667 LHRSYMZJVAZHGN-UHFFFAOYSA-N 390.270 4.607 0 40 GJAB CN(Cc1ccc(F)cc1Br)C(=O)CCCCc1cccc(O)c1 1556476203 RYZGBSFHZAHGCC-UHFFFAOYSA-N 394.284 4.665 0 40 GJAB COc1ccc(-c2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)cc1 632731 CXUYLHJIERTHBG-UHFFFAOYSA-N 376.363 4.547 0 40 GJAB S=C(c1ccc(OCc2ccccc2)c(Br)c1)N1CCCC1 686324 ZKOKNFSHZTVWCA-UHFFFAOYSA-N 376.319 4.799 0 40 GJAB COc1ccc(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 975417 CVXMEVQNQYUPMK-UHFFFAOYSA-N 379.843 4.761 0 40 GJAB CCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CC(C)(C)C4)cc1 1243113 KWOJLCREGPEMPM-UHFFFAOYSA-N 393.512 4.848 0 40 GJAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(OC)cc2)cc1 2249189 MBKMKDCFJNNHLS-UHFFFAOYSA-N 382.423 4.653 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1c1ccc(Cl)cn1 2393041 MGRCMDBUIUCWIE-IBGZPJMESA-N 388.810 4.591 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(c1nc(C)cs1)C3=O 2417042 WQLCJGROKVRRJM-GOSISDBHSA-N 388.448 4.616 0 40 GJAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 2450563 ABURXNLCLAAIJW-UHFFFAOYSA-N 378.284 4.764 0 40 GJAB NC(=O)c1ccccc1NC(=O)c1sc2cc(OC(F)F)ccc2c1Cl 2793175 GLNLMDMOMLJEDV-UHFFFAOYSA-N 396.802 4.507 0 40 GJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1cccc(Cl)c1 3234667 VEPKAULTJQIOJP-UHFFFAOYSA-N 379.843 4.807 0 40 GJAB O=C(COC(=O)c1cccc2ccccc12)c1ccc(Br)s1 3340155 XXIAOKAGAHUUFY-UHFFFAOYSA-N 375.243 4.704 0 40 GJAB O=S(=O)(c1ccccc1F)N(Cc1ccco1)Cc1cccc2ccccc12 3352992 QVPWFAUWLQKNHT-UHFFFAOYSA-N 395.455 4.963 0 40 GJAB CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 3507621 VYSGZEPNMZTXJN-INIZCTEOSA-N 395.528 4.511 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)c(Cl)c2)on1 4881179 SMSDODQXGYVVBV-UHFFFAOYSA-N 377.183 4.629 0 40 GJAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1ccccc1 5235882 UPFPGSIAGPJOKV-UHFFFAOYSA-N 393.531 4.600 0 40 GJAB CC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 5561768 HRQYNXXZLDJEDS-MSOLQXFVSA-N 395.894 4.672 0 40 GJAB Cc1ccc(C)c(-n2cnnc2SCC(=O)c2cc(C)n(C3CC3)c2C)c1 5894650 SOPFAZOEJCIDBI-UHFFFAOYSA-N 380.517 4.612 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c(C)c1 5985579 IZZCHKNBUKZHGE-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1C1CCCCC1 6176626 VFRPOBGEMIPVGW-UHFFFAOYSA-N 378.929 4.730 0 40 GJAB CC(C)/N=C1\S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N1C(C)C 6324975 PRAUFCLROPJFHH-ZIKOHYJISA-N 398.484 4.734 0 40 GJAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(F)c(Cl)c1 7580231 RIZGDQAIZQHNJJ-UHFFFAOYSA-N 378.856 4.775 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccccc2Cl)cc1 7700203 UYSNEDHCLRKQFV-UHFFFAOYSA-N 395.842 4.578 0 40 GJAB Cc1cc2ccccc2n1CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7850072 APYFJFZPFLZFHZ-UHFFFAOYSA-N 399.498 4.573 0 40 GJAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1 9582583 KUDFMPVPCFHMMZ-MRXNPFEDSA-N 395.528 4.801 0 40 GJAB O=C(c1cc(F)c(F)cc1Cl)N1CCC(c2nc3ccccc3o2)CC1 9607496 NYTYDOQHSFDAOC-UHFFFAOYSA-N 376.790 4.779 0 40 GJAB Cc1ccc(OCCSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 11308511 ZQVSSSQNIBWJBC-UHFFFAOYSA-N 388.496 4.809 0 40 GJAB COC(=O)c1c(NC(=O)Cc2coc3ccc(C)cc23)sc2c1CCCC2 12062878 UTSQMLLECNELNW-UHFFFAOYSA-N 383.469 4.649 0 40 GJAB COc1ccccc1CN(C)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12778735 VWRCYZWPNSTOTK-UHFFFAOYSA-N 399.450 4.684 0 40 GJAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 14095515 WCXVZCIDUNVTKV-KRWDZBQOSA-N 381.907 4.854 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(C)cc1 16788746 VMDYQLSHHWWOKL-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB CCOc1ccc(N/C=C2/C(=O)N(Cc3ccccc3)C(=O)c3ccccc32)cc1 18206182 PDFNAEHFMCDHGK-XQNSMLJCSA-N 398.462 4.721 0 40 GJAB CC(C)c1nc2ccccc2n1CCCC(=O)N[C@H]1CCOc2ccccc21 19667005 GCDHECCECDISJR-SFHVURJKSA-N 377.488 4.580 0 40 GJAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)[C@H]3CCCO3)CC2)n1 19691686 TYMFWAXKXVGUEW-JOCHJYFZSA-N 398.934 4.519 0 40 GJAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20139993 BOBSCFXKKRIACU-UHFFFAOYSA-N 392.194 4.910 0 40 GJAB CCOC(=O)c1cc(NC(=O)c2ccc(Br)cc2)ccc1Cl 20481542 LFSXWYPJOPIZTA-UHFFFAOYSA-N 382.641 4.532 0 40 GJAB Cc1cc(OCC(=O)N[C@H]2CCCc3ccccc32)cc(C)c1Br 20487242 WUSJNBFIDDCELO-SFHVURJKSA-N 388.305 4.639 0 40 GJAB C[C@@H]1CCC[C@@H](N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 20569770 UWADVROSAKPYEC-AGILITTLSA-N 382.592 4.758 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1C 24785110 UKJMCQPUCABTLV-UHFFFAOYSA-N 379.485 4.699 0 40 GJAB Cc1ccc(CNC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1 28402692 VCIRZIROHCVZRN-UHFFFAOYSA-N 387.508 4.865 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 30944150 DIDVEXUDIXOIBX-DEOSSOPVSA-N 384.523 4.804 0 40 GJAB C[C@@H](NC(=O)N(C)CC(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1 32870374 IVBQSIDRQDKERB-OAHLLOKOSA-N 395.890 4.834 0 40 GJAB CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCC[C@H](C)C3)c(O)n2n1 36104711 KBAIUAJMRMHVQW-LRDDRELGSA-N 390.940 4.534 0 40 GJAB Cc1ccc([C@H](NC(=O)Nc2ccccn2)C(Cl)(Cl)Cl)cc1F 37868904 FQZGBJAOCSAPDK-ZDUSSCGKSA-N 376.646 4.762 0 40 GJAB COc1ccccc1[C@H](O)CNC(=O)Nc1cc(Cl)c(Cl)cc1Cl 40098559 GIWJIHPJBLXEOM-CQSZACIVSA-N 389.666 4.511 0 40 GJAB COc1ccc(C2=CCN(C(=O)c3cc(F)cc(Br)c3)CC2)cc1 40122412 GZXRGUAQPVANAM-UHFFFAOYSA-N 390.252 4.526 0 40 GJAB CSc1ccc(-c2noc(Cc3nnc(-c4ccc(C)c(C)c4)o3)n2)cc1 49405328 WHJVBKVPZYKUSM-UHFFFAOYSA-N 378.457 4.716 0 40 GJAB Cc1cccc(Cl)c1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364560 AETWBVSXFUCEAA-INIZCTEOSA-N 378.859 4.807 0 40 GJAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c(OC)c1 57315877 SKDUSTANFRYFHY-UHFFFAOYSA-N 392.386 4.903 0 40 GJAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72214625 FXTKOHADCWJDNH-IBGZPJMESA-N 395.503 4.820 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(Cl)cc2)cc1Cl 72329328 CLQSMJBMPQKESF-UHFFFAOYSA-N 390.270 4.712 0 40 GJAB Cc1csc(SCC2CCN(C(=O)c3c(F)cccc3Cl)CC2)n1 90608092 UIUUKAFCZDXCJK-UHFFFAOYSA-N 384.929 4.889 0 40 GJAB Cc1csc(SCC2CCN(C(=O)CCSc3ccccc3)CC2)n1 90608128 XODIVDISIRFGLK-UHFFFAOYSA-N 392.615 4.965 0 40 GJAB CN(C(=O)CCCc1cc(Cl)sc1Cl)[C@H](CCO)c1ccccc1 95453488 JDCVEHZPIVZQJH-OAHLLOKOSA-N 386.344 4.960 0 40 GJAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@@H](c2ccc(OC(C)C)cc2)S1 95475587 CIZULGQJDBNFRN-GOSISDBHSA-N 387.505 4.614 0 40 GJAB CC(C)c1cc(C(=O)N2CCO[C@H](C3CCCCC3)C2)c2cnn(C(C)C)c2n1 96014043 UYZXBSDGDWIDCK-NRFANRHFSA-N 398.551 4.557 0 40 GJAB COc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1OC 98073259 TYXCKYJHPAUVBM-INIZCTEOSA-N 389.451 4.677 0 40 GJAB C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)c1cc(F)ccc1F 106587556 YBCSAVLFTBMDPO-JTQLQIEISA-N 379.819 4.562 0 40 GJAB CC1CCN(Cc2ccc(NCc3cnc(N4CCC[C@@H](C)C4)nc3)cc2)CC1 141532333 LWERSSCMGFDABO-HXUWFJFHSA-N 393.579 4.557 0 40 GJAB CCOC(=O)c1cn(Cc2ccccc2C)c2ccc(C(F)(F)F)cc2c1=O 199728572 ONOLECNJVSVZCN-UHFFFAOYSA-N 389.373 4.554 0 40 GJAB Fc1ccc(-c2cnc(Nc3cc(C[C@H]4CC[C@@H]5CNC[C@@H]54)ccn3)s2)cc1 205617053 BKLQHWXFBKWFLH-ZHALLVOQSA-N 394.519 4.876 0 40 GJAB Cc1c(CO)c2ccccc2n1C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 216891662 MADCTBMAWSOFNE-LBPRGKRZSA-N 378.255 4.857 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 223001505 BHBWWPUFJJLDTJ-UXHICEINSA-N 385.504 4.746 0 40 GJAB CC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc2c(c1)CCCC2 223136267 NZIAVTACGHCGRH-QHCPKHFHSA-N 377.528 4.881 0 40 GJAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223296220 WXILNOIBNHUPPI-MRXNPFEDSA-N 391.533 4.565 0 40 GJAB C[C@H](O)c1ccc(C2(CNC(=O)C3(c4ccc(F)cc4)CC3)CCCC2)s1 225682214 YTCXRXYPADSCAJ-HNNXBMFYSA-N 387.520 4.600 0 40 GJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225840410 QBHOKVBGWLMVKY-AOMKIAJQSA-N 393.524 4.820 0 40 GJAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1conc1-c1ccccc1 225869496 KOXJVDBJLMKVCQ-GFCCVEGCSA-N 383.245 4.696 0 40 GJAB Cc1cc(OC[C@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)C2)cc(C)c1Cl 257219581 DHHXERCDPWTJRH-QHCPKHFHSA-N 398.934 4.844 0 40 GJAB Cc1cc(O)cc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257325163 WRSUXZLKIYXVBZ-HSZRJFAPSA-N 388.467 4.798 0 40 GJAB O=C(Cc1ccccc1Cl)NC[C@@H](O)c1ccc(-c2ccsc2)s1 1775965427 OFKYEVNJTVYYTI-OAHLLOKOSA-N 377.918 4.522 0 40 GJAB CCOc1ccc2nc3sc(C(=O)Nc4ccccc4OC)c(N)c3cc2c1 907413 SJAQJWQRCPAGGT-UHFFFAOYSA-N 393.468 4.691 0 40 GJAB C[C@@H]1CCCN(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)C1 933091 IDSYHMHLWNEKFC-CQSZACIVSA-N 383.542 4.709 0 40 GJAB CC(C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 942780 YCIPBJPJBSDMNB-CYBMUJFWSA-N 386.831 4.832 0 40 GJAB Fc1cccc(-c2cc3nc(-c4ccccc4)cc(NC[C@@H]4CCCO4)n3n2)c1 1341377 ROVQSTLNMRGISN-IBGZPJMESA-N 388.446 4.793 0 40 GJAB Cc1ccc(Cn2ccc(NC(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)n2)cc1 2465918 HJTZJSLFWAIIOK-QGZVFWFLSA-N 392.503 4.631 0 40 GJAB COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1OC 2658169 NHNCXLMWAHNQDU-UHFFFAOYSA-N 393.468 4.665 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)NCC3CCCCC3)s2)c1C 3271534 ZYBRNDDEYWDKHW-UHFFFAOYSA-N 390.578 4.687 0 40 GJAB O=C1OC(c2cccs2)=N/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1 3339724 WPQYLZLLSDNRKI-XMHGGMMESA-N 397.459 4.945 0 40 GJAB COc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2c1 3479337 HWZJADIZXVRQLU-UHFFFAOYSA-N 376.865 4.754 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1nc2ccc(Br)cc2s1 3846947 KFIHAUNERSQOLR-UHFFFAOYSA-N 397.681 4.730 0 40 GJAB biogenic O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc(=O)c2ccccc2o1 4032363 SBIWOKBNOPPPLL-UHFFFAOYSA-N 381.391 4.589 0 40 GJAB Cc1cccc(CSc2nc3c(c(=O)n2CCc2ccccc2)SCC3)c1 4358804 UQGUYDDAOZUILT-UHFFFAOYSA-N 394.565 4.735 0 40 GJAB O=S(=O)(Oc1ccc(Sc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 4666646 KCTZDGLCVUIEGG-UHFFFAOYSA-N 392.885 4.965 0 40 GJAB O=C(NC1CCCCC1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 4890471 FOFCLSXEERGPEJ-OAHLLOKOSA-N 388.899 4.612 0 40 GJAB CCC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)N1CCC[C@H](C)C1 4968273 BEXJYLKRNFENCW-YOEHRIQHSA-N 395.473 4.658 0 40 GJAB CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCCCCC(=O)O)CO1 5243649 ATIUXAHPGDUPTL-UHFFFAOYSA-N 386.517 4.776 0 40 GJAB CSc1ncccc1C(=O)OCc1cc(=O)oc2cc(C)c(C(C)C)cc12 6501355 VVMCRPOEBGUZQK-UHFFFAOYSA-N 383.469 4.699 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1Br 6570945 HNKXKYFSTGZVSR-UHFFFAOYSA-N 389.293 4.700 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccccc1)CC2 7408676 PTULJHMQOWPKTD-OAQYLSRUSA-N 379.481 4.553 0 40 GJAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(Cl)ccc1OCc1ccccc1 7687204 JQKKPBSVWLWVBO-UHFFFAOYSA-N 395.842 4.943 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8041523 BAEFIVDYNWIQEX-IFXJQAMLSA-N 388.895 4.664 0 40 GJAB Cc1ccc(NC(=O)[C@H](Sc2nnnn2C2CCCC2)c2ccccc2)cc1 8230599 MPXMCUUWILYUGG-LJQANCHMSA-N 393.516 4.569 0 40 GJAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2nc3c(C)cc(C)cc3s2)C(C)C)cc1 8401908 VEJJOJCBNDARFA-SFHVURJKSA-N 395.528 4.615 0 40 GJAB Fc1ccc(COc2ccc3ccccc3c2CNCCCn2ccnc2)cc1 10313976 CODBQGLVEJETIL-UHFFFAOYSA-N 389.474 4.934 0 40 GJAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2o1 12515786 BLQUOATVOJUPAZ-HNNXBMFYSA-N 378.476 4.566 0 40 GJAB COc1cccc(Nc2nnc(SCc3cc(-c4ccco4)on3)s2)c1 12544056 AALFBWUPGPNCGJ-UHFFFAOYSA-N 386.458 4.831 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1ccc(Cl)cc1 12897949 JCBHHHXWOHJVHW-OAHLLOKOSA-N 396.922 4.762 0 40 GJAB CCOC(=O)c1ccoc1COC(=O)c1ccccc1OCc1ccc(F)cc1 12950778 ORZPJYUCIYEAIZ-UHFFFAOYSA-N 398.386 4.531 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3ccco3)c3cccc(C)c3C)c(=O)[nH]c2c1 13687233 NWQJXSXEKOCQNX-UHFFFAOYSA-N 386.451 4.893 0 40 GJAB CC(C)c1cc(C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)cs1 19452166 FBMIROVYXWDTSA-UHFFFAOYSA-N 398.572 4.807 0 40 GJAB Cc1cc(C)c(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c(Cl)c1 20144395 WBIQHWDNVJPODM-UHFFFAOYSA-N 385.847 4.727 0 40 GJAB COc1ccccc1[C@H](C)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 23113580 NRYIMWVHQSQXIU-HNNXBMFYSA-N 382.435 4.642 0 40 GJAB COc1ccc2cc(CN(C)C(=O)CSCc3ccc(F)cc3)ccc2c1 25680582 IPXLOHNMTUJOAG-UHFFFAOYSA-N 383.488 4.879 0 40 GJAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1c(Cl)cccc1Cl 28237699 QHIASIITPMOUDG-MRVPVSSYSA-N 380.197 4.792 0 40 GJAB COc1ccc2nc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)sc2c1 30573567 LUHSDPQRQAXUGS-UHFFFAOYSA-N 390.468 4.620 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1C 33803287 HTRKFCRJNOYJTQ-UHFFFAOYSA-N 387.936 4.684 0 40 GJAB O=C(Nc1cccc(OCCn2cccn2)c1)c1ccccc1Cc1ccccc1 36397080 ZYCMNAMOUJGTCO-UHFFFAOYSA-N 397.478 4.805 0 40 GJAB CCn1ncc(CNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c1C 36614120 RJDKMMWXSJJYBU-UHFFFAOYSA-N 395.816 4.953 0 40 GJAB O=C(O)c1ccc(/C=C(\Cl)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 37392861 KHXBEJOCPCBNHO-LCYFTJDESA-N 386.860 4.711 0 40 GJAB COc1cccc(CNC(=O)c2[nH]c3ccc(Br)cc3c2Cl)c1 40144085 CMMNOXPBPASWIW-UHFFFAOYSA-N 393.668 4.522 0 40 GJAB COc1ccc(Oc2ccc(CNCc3ccccc3OC(C)C)cn2)cc1 47719841 FKUFVEOKAOVIPT-UHFFFAOYSA-N 378.472 4.960 0 40 GJAB C[C@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)c(F)c1 68605488 UNIQTAHDEBNTBX-IBGZPJMESA-N 388.486 4.945 0 40 GJAB biogenic O=C([C@@H]1C[C@H]1c1ccccc1Br)N1CCC[C@@H]1c1cccs1 84501947 WXENGYHEJUWSHK-SQWLQELKSA-N 376.319 4.978 0 40 GJAB CCSc1cc(Br)ccc1CNc1cc(CN(C)C)ccn1 95994616 QFDGDEKKVCNFFR-UHFFFAOYSA-N 380.355 4.630 0 40 GJAB Clc1ccc(CNC[C@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)cc1 96269347 DWKDCATYIBGBTP-SFHVURJKSA-N 388.298 4.546 0 40 GJAB biogenic,in-vitro COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc(OC)c1OC 102717982 PNTDIVCPTMVFSF-SFHVURJKSA-N 398.459 4.859 0 40 GJAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccccc1OCc1ccccc1 218987305 TUCMFVWGILEOAT-LJQANCHMSA-N 375.468 4.771 0 40 GJAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(OC)c(OC)c1 219032243 SRHDLROAWUWQOE-IERDGZPVSA-N 393.483 4.892 0 40 GJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)c1 224225854 DMLBDQWFFMLCHW-NHCUHLMSSA-N 376.529 4.950 0 40 GJAB Nc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(=O)N2CCCC2)c1 225485216 NTRHYFXPYXGQGQ-UHFFFAOYSA-N 385.511 4.712 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3ccc(O[C@@H]4CCSC4)nc3)c2)cs1 225715500 RCVVZXHXXJSODU-QGZVFWFLSA-N 397.525 4.650 0 40 GJAB Cc1cc(NC(=S)NC2(c3ccccn3)CCCC2)ccc1Br 225854120 JRJLWNCLXJJHMZ-UHFFFAOYSA-N 390.350 4.908 0 40 GJAB O=C(O)c1cccc(CN2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)c1 257259221 KXJPUWZXTWSMGI-NRFANRHFSA-N 376.456 4.691 0 40 GJAB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)nn2)c1 408533456 QZXXNGMMHHNCOU-UHFFFAOYSA-N 392.455 4.678 0 40 GJAB O=C(NC(=S)Nc1ccccc1F)c1ccc(OCc2ccccc2)cc1 408625080 WFCIVACJLKRYSU-UHFFFAOYSA-N 380.444 4.532 0 40 GJAB CCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(CC)ccc3o2)c(O)c1 408626847 IVSHPFLYHPWCIF-UHFFFAOYSA-N 397.500 4.766 0 40 GJAB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)N(C)C1=S 409040861 UXGKYGCKZWUTRS-ZROIWOOFSA-N 381.284 4.673 0 40 GJAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1(C(F)(F)F)CCOCC1 665767440 KAJVBSONEQLOEC-UHFFFAOYSA-N 389.377 4.528 0 40 GJAB O=C(c1cccc(Cl)c1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 2055750688 QFOWGRWZVUUJTP-HXUWFJFHSA-N 390.861 4.718 0 40 GJAB CCc1nc2ccccc2c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1C 863150 DQNHVMILWWKIQZ-ACCUITESSA-N 376.456 4.775 0 40 GJAB Cc1cc(C)c2[nH]c3nc(S[C@@H](C)C(=O)Nc4ccccc4C)nnc3c2c1 877625 GCBHPMSFQXQDNB-AWEZNQCLSA-N 391.500 4.551 0 40 GJAB CC(C)COC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 942777 HQQGUQGFBXHPSB-UHFFFAOYSA-N 386.831 4.691 0 40 GJAB CCOC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2)sc2c1CCC2 1927545 VSYMMXQGDLEYEC-UHFFFAOYSA-N 395.933 4.798 0 40 GJAB Cc1ccc(CN2C(=O)[C@@](O)(c3c[nH]c4ccccc34)c3ccccc32)c(C)c1 2327056 RXUCURWJSKFVCH-VWLOTQADSA-N 382.463 4.567 0 40 GJAB Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nc1c(Cl)cccc1Cl 2581872 IETFCTSUAMYNIY-UHFFFAOYSA-N 393.057 4.966 0 40 GJAB Cc1ccccc1Cn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 2666384 DPSXVQGIDKCCSY-HXUWFJFHSA-N 381.479 4.914 0 40 GJAB COc1ccccc1Cn1cc(C(=O)c2ccccc2)c(=O)c2cc(C)ccc21 2690556 DRZFEDIQPXPFCM-UHFFFAOYSA-N 383.447 4.598 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(Cl)cc1Br 3317959 XEESJXDLMBDTIA-ZDUSSCGKSA-N 396.712 4.619 0 40 GJAB Cc1ccc2c(COC(=O)C3(c4cccc(F)c4)CCCC3)cc(=O)oc2c1 3346073 KZDPQHYFAGWLFR-UHFFFAOYSA-N 380.415 4.796 0 40 GJAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@]32C)[C@@]12CC[C@@]1(CCOC1)O2 4083766 QETHKRDIJLVIMV-VLBJDTNOSA-N 378.553 4.699 0 40 GJAB biogenic Cc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Br)cc32)o1 4168623 JPHKFIBRYIZNBU-UHFFFAOYSA-N 398.235 4.924 0 40 GJAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2nccs2)cc1 4551180 OPVBVVCBIHBZQZ-UHFFFAOYSA-N 379.485 4.945 0 40 GJAB Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(Br)cc2)n1 4622494 GITHWXGHUQKZPD-UHFFFAOYSA-N 394.276 4.938 0 40 GJAB CC1=C(c2ccccc2)C(NC(=O)CN2CCCCCC2)=Nc2ccccc2N1 4622545 QNDOBWKZHNIAOZ-UHFFFAOYSA-N 388.515 4.566 0 40 GJAB Cc1ccc(Oc2ccc(-c3noc([C@H]4[C@H]5C(=O)O[C@@H]6C[C@H]4C[C@H]56)n3)cc2)cc1 4770862 LCVTXKPVIPUEBE-JBCQCRMPSA-N 388.423 4.502 0 40 GJAB CCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc2c1Cl 4866512 CMBXTDRVEPNOBW-UHFFFAOYSA-N 396.800 4.517 0 40 GJAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccc(Br)cc2)on1 4880579 LZSJTHWLYSBAEI-UHFFFAOYSA-N 391.652 4.688 0 40 GJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OCC)cc1)C2 4911993 AIEWIVLIIINMRA-QGZVFWFLSA-N 383.488 4.982 0 40 GJAB C[C@@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 5366152 ZYWDEBPHUOMVMF-CQSZACIVSA-N 394.858 4.512 0 40 GJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 5500035 RFXNWTKOMCXCCA-UHFFFAOYSA-N 377.872 4.962 0 40 GJAB Cc1ccccc1-c1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)o1 5505545 HEWXFMNXSOCSHP-IBGZPJMESA-N 393.512 4.891 0 40 GJAB CCOc1ccc2c(c1)C(c1ccc(OC)cc1)=NNC(c1cccs1)=N2 5573506 MUGPJEURLDKYAI-UHFFFAOYSA-N 377.469 4.589 0 40 GJAB Cc1ccc2nsnc2c1NC(=O)c1cccc(OCc2ccccc2)c1 6216648 SYEJNMLLWLTWSX-UHFFFAOYSA-N 375.453 4.831 0 40 GJAB CCOC(=O)c1ccc2nc(NC(=O)c3cccc(C(F)(F)F)c3)sc2c1 6328004 NAXVSFYNTVOQJD-UHFFFAOYSA-N 394.374 4.744 0 40 GJAB Cc1cccc(NC(=O)CCc2nc3cc(Cl)ccc3n(CC(C)C)c2=O)c1 6661508 AHKZZDBCYKFLER-UHFFFAOYSA-N 397.906 4.586 0 40 GJAB COc1ccc(F)cc1Cn1cnc2scc(-c3ccc(C)s3)c2c1=O 7671966 QTDROFUYERZYJP-UHFFFAOYSA-N 386.473 4.691 0 40 GJAB Cc1cc(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)c(C)s1 8266414 MTAOETVDHZHFHJ-UHFFFAOYSA-N 397.525 4.868 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)ccc1Cl 8673504 MXERUWKQXPJBOI-HNNXBMFYSA-N 398.890 4.963 0 40 GJAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)s1 9723956 LLRNMEFSPPQZMF-QGZVFWFLSA-N 399.512 4.544 0 40 GJAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(c1cccnc1)CO3 12324830 MMABOUHUKKXKKM-UHFFFAOYSA-N 390.826 4.865 0 40 GJAB COc1ccc(Br)c(C(=O)Nc2nnc(C3CCCCC3)s2)c1 12764731 FANAWCGMLIOGGT-UHFFFAOYSA-N 396.310 4.609 0 40 GJAB CC(=O)Nc1ccc(SCc2c(C(=O)O)sc3cccc(F)c23)cc1 12852184 CAFFOIDSLUOEFV-UHFFFAOYSA-N 375.446 4.989 0 40 GJAB COc1ccc(O)c(-c2cc(C(F)(F)C(F)F)nc(-c3ccccc3)n2)c1 13123330 SJKMRRREKUQGFE-UHFFFAOYSA-N 378.325 4.882 0 40 GJAB COc1cc(OC)c(NC(=O)Cc2c(C)nc3ccccc3c2C)cc1Cl 14716422 DNJDITVTTHYWHZ-UHFFFAOYSA-N 384.863 4.703 0 40 GJAB CC(=O)N[C@H](CC(=O)N(Cc1ccccc1)c1cccc(C)c1)c1ccccc1 15940918 IKNBBSWXWYRAOD-XMMPIXPASA-N 386.495 4.796 0 40 GJAB CCOc1cc(C(=O)Nc2cc(C)ccc2C)cc(Br)c1OC 16020360 GXUPWTBZPQBKNY-UHFFFAOYSA-N 378.266 4.726 0 40 GJAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccccc3)c3ccccc23)cc1C 16778029 DVPGBNZEADJXDL-UHFFFAOYSA-N 383.451 4.781 0 40 GJAB O=C(Nc1ccc(F)cc1Cl)c1cccc(OCc2cn3ccccc3n2)c1 17639308 PMHZIZOMCSQVBC-UHFFFAOYSA-N 395.821 4.958 0 40 GJAB C=Cn1ncc(CN2CCC(c3cc4cc(OC)c(C)cc4cn3)CC2)c1C 19127198 NKZMUSBECJAUIH-UHFFFAOYSA-N 376.504 4.537 0 40 GJAB CCCN(CCC)CN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O 20027302 IZNQQDPIMUBZDL-RVDMUPIBSA-N 397.338 4.565 0 40 GJAB CC(C)Oc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 20044607 PVFPJODDHNIWGL-INIZCTEOSA-N 375.896 4.644 0 40 GJAB C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)c1nc2ccccc2c(=O)[nH]1 21332124 OCRJTTDMUWQCRP-LLVKDONJSA-N 398.538 4.753 0 40 GJAB O=C(c1cc(-c2ccccc2)on1)N(Cc1ccc(F)cc1)Cc1ccco1 21524139 IPISADMXNCSPKP-UHFFFAOYSA-N 376.387 4.916 0 40 GJAB Cn1cc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 23258753 LZYAVVIXPJLWLP-GORDUTHDSA-N 379.272 4.502 0 40 GJAB O=S(=O)(NNc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1Cl 24923892 HDJVUVWWZPCPLL-UHFFFAOYSA-N 386.087 4.606 0 40 GJAB CCOc1cc2c(cc1NC(=O)Cc1nc(-c3cccs3)oc1C)O[C@H](C)C2 25073480 KVFDEXJLQHWEHO-GFCCVEGCSA-N 398.484 4.615 0 40 GJAB Brc1ccccc1CN[C@@H]1CCCc2c1cnn2Cc1ccccc1 27222713 DIYQANJPRNOVGW-HXUWFJFHSA-N 396.332 4.861 0 40 GJAB COc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=N[C@H](C)CS2)cc1 27525548 UCKUILJIKLUEBF-GFCCVEGCSA-N 375.881 4.878 0 40 GJAB O=C(NCc1ccccc1COc1ccccc1)c1nc(Cl)ccc1Cl 30184671 NXZBSCUWWIYODX-UHFFFAOYSA-N 387.266 4.897 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)CSCc1nc(-c2ccccc2Cl)no1 32779114 RXEZPNYOPDMUEZ-ZDUSSCGKSA-N 399.903 4.601 0 40 GJAB COC(=O)c1cc(Nc2ccc(Br)cc2)c2cccc(F)c2n1 38486947 CIVQNKCGGXBEMK-UHFFFAOYSA-N 375.197 4.667 0 40 GJAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H](C(F)(F)F)C1 40073884 ZWNLLGMYOVFVFC-YJBOKZPZSA-N 377.406 4.922 0 40 GJAB O=C(NC1CCCC1)c1ccccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 40141085 AUWXDCMKFORHNW-KBPBESRZSA-N 382.426 4.666 0 40 GJAB CCc1ccc(-c2nc(CS(=O)(=O)c3ccc4ccccc4n3)cs2)cc1 40152105 NIEXJUKAIGFXQU-UHFFFAOYSA-N 394.521 4.895 0 40 GJAB CC1(C)[C@@]2(c3ccccc3)[C@H]3C=C(Br)[C@H](O)[C@@H]3[C@@]12c1ccccc1 43761655 LXXURMUGPWKUQM-BFBKCIDESA-N 381.313 4.802 0 40 GJAB C[C@H](OC[C@@H](O)CN1C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1 45821581 LTBPAROLKUYQDA-KSSFIOAISA-N 381.859 4.592 0 40 GJAB COc1cc2ccccc2cc1C(=O)Nc1c(C)cc2nc(NN)sc2c1C 45889108 WMGJOUJMFVSCPI-UHFFFAOYSA-N 392.484 4.613 0 40 GJAB CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 47080719 QCYSGSKJQFVBAD-WQRHYEAKSA-N 382.510 4.668 0 40 GJAB Cc1nc(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)cs1 49029249 DZMALOBZIXONSH-UHFFFAOYSA-N 376.850 4.622 0 40 GJAB CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 59723704 GOZSIUOZGMBKIT-UHFFFAOYSA-N 387.464 4.995 0 40 GJAB Fc1ccc(CN2CC[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1 72369951 MBGQNXMQJQTBGM-OAHLLOKOSA-N 391.368 4.884 0 40 GJAB O=C(CCc1cccc(Cl)c1Cl)NC[C@@H](O)c1ccc(Cl)c(F)c1 95448129 ZNPVCGOXQCZTEV-OAHLLOKOSA-N 390.669 4.568 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3cccc(C[S@](C)=O)c3)sc2C)s1 95947873 XSJKCXGACVAPCX-RUZDIDTESA-N 390.555 4.619 0 40 GJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](F)C(=O)C(F)(F)C[C@]4(C)[C@H]3CC[C@]12C 118926052 UFYRJOXAZPLNOO-TXBFOUCXSA-N 386.454 4.723 0 40 GJAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3cccc(Br)c3)c2)n1 170564625 BAMLFFYSYUTZRD-UHFFFAOYSA-N 397.276 4.852 0 40 GJAB O[C@@H](C[C@@H]1c2ccccc2-c2cncn21)C1CCC(OCc2ccccc2)CC1 207679307 BGZYLMZZDLEDEY-SYZGEQSJSA-N 388.511 4.980 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 224442699 NDCIUPNGKQQAEA-IBGZPJMESA-N 375.896 4.645 0 40 GJAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225534479 IQNZBYVQYDRRTH-UHFFFAOYSA-N 380.532 4.858 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)ccc1O[C@@H](C)CC 225808297 IJCIIZXBGAZYKS-PONJGIIJSA-N 391.508 4.574 0 40 GJAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)N1CCc2ccccc21 225834019 OMTSXUGDMCUZFQ-UHFFFAOYSA-N 395.462 4.926 0 40 GJAB COc1cc([C@@H]2CN(Cc3ccc(F)cc3)[C@H]3CCC[C@H]32)cc(OC)c1OC 248147183 XPFKCAOXTKOTDL-UFYCRDLUSA-N 385.479 4.620 0 40 GJAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1N1CCOCC1 408620599 HQBYLKXDWYJXSI-UHFFFAOYSA-N 394.515 4.588 0 40 GJAB CC(C)Sc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2s1 408748441 AINHIUHKWMLGOG-OLZOCXBDSA-N 378.519 4.626 0 40 GJAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2c(C)n(C)c3ccccc23)S1 408820608 XJMRCESIRYRIFD-UHFFFAOYSA-N 392.504 4.567 0 40 GJAB CCn1c(CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)nc2cc(C(=O)O)ccc21 581196273 MZHUYILVBWYHGW-ZVDOUQERSA-N 389.499 4.523 0 40 GJAB COc1cc(Br)ccc1NC(=O)[C@@H](C)c1cn(C)c2ccccc12 1530441518 QVVPHOWUOLZHAY-LBPRGKRZSA-N 387.277 4.692 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3ccccc3Cl)CC[C@@H]2N1c1ccc(F)cc1 1615160838 SVTFWSVIJAYXJV-QRWLVFNGSA-N 386.898 4.999 0 40 GJAB Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)c(C)c2)C3=O)cc1C 873021 WHHYPYOTUNCKEU-UHFFFAOYSA-N 398.462 4.973 0 40 GJAB Cc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2cccnc2)cc1 876576 MZXJNWXIAFBKHY-UHFFFAOYSA-N 386.480 4.613 0 40 GJAB CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCC(C)CC1 1341074 SKBVNFCYOZMBLA-UHFFFAOYSA-N 394.519 4.521 0 40 GJAB O=c1c(-c2cc(Br)cc3c2OCOC3)coc2ccc(Cl)cc12 1516545 WPVNYZPGSAAGGM-UHFFFAOYSA-N 393.620 4.742 0 40 GJAB CCOC(=O)c1ccc(N2C(=O)[C@@](Cl)(c3ccccc3)[C@@H]2c2ccco2)cc1 1589519 FWKHHZHUPJRWLK-SIKLNZKXSA-N 395.842 4.679 0 40 GJAB O=c1c2c3c(sc2nc(NCc2ccccc2)n1-c1ccccc1)CCCC3 2262045 XYLFDDASHGOBBZ-UHFFFAOYSA-N 387.508 4.938 0 40 GJAB CCOC(=O)[C@@H](C)Sc1nc(Cc2ccc(Cl)cc2)nc2ccccc12 3063751 VOALQHGHBVYUOD-CYBMUJFWSA-N 386.904 4.918 0 40 GJAB COc1cccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c1 3235974 SWMGMCFPBRIUCK-UHFFFAOYSA-N 381.432 4.795 0 40 GJAB O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3270012 ZIXAOOFSEMYDBD-MDWZMJQESA-N 392.890 4.977 0 40 GJAB C[C@@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)Nc1ccccc1 3282198 WOFSGIGSJUNKSN-XMSQKQJNSA-N 383.495 4.917 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5OC(=O)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 4023303 OWDSQNAIMXYQHD-TXWMIOKHSA-N 386.532 4.669 0 40 GJAB biogenic O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1Cc1ccccc1 4033497 DFXHWWURRISFIP-HXUWFJFHSA-N 399.469 4.740 0 40 GJAB CC(C)(C)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 4078258 SMABPXLBCBAGFF-UHFFFAOYSA-N 386.340 4.578 0 40 GJAB CC(C)CNC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 4550505 FEHUYUMGDBRDKS-UHFFFAOYSA-N 390.936 4.598 0 40 GJAB CCCC(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 4613797 QVXBMWPAYUCPFT-UHFFFAOYSA-N 375.222 4.702 0 40 GJAB CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3cccc4cccnc34)cc12 4735773 XNWFQQPDXKIXJB-UHFFFAOYSA-N 394.452 4.601 0 40 GJAB CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3F)=NN12 5093381 MYRVDBWBHYRUIM-OAQYLSRUSA-N 379.479 4.571 0 40 GJAB CCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2OC)c(O)c1 5248819 HQJJKHVHBQUOAT-UHFFFAOYSA-N 378.350 4.875 0 40 GJAB CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2)cc1 5485235 LSVKKAVBCMXEEP-QGZVFWFLSA-N 399.487 4.838 0 40 GJAB CCOc1ccccc1NC(=O)/C=C/c1cc(Br)ccc1OC 6303867 DWYOMHICDWEXRL-DHZHZOJOSA-N 376.250 4.508 0 40 GJAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 6386520 KVLFFQDNPSWUSD-UHFFFAOYSA-N 383.517 4.559 0 40 GJAB COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 6415885 MSMRTTSGIOPDGI-UHFFFAOYSA-N 399.312 4.534 0 40 GJAB CCOP(=O)(OCC)[C@H](NC(=S)NC1CCCCC1)c1ccccc1 6595396 HJJVNVWECBYPMH-KRWDZBQOSA-N 384.482 4.748 0 40 GJAB COc1ccccc1O[C@H](C)C(=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810584 FLGSBHBDBWDHKH-MRXNPFEDSA-N 399.874 4.938 0 40 GJAB CCc1nnc(S/C(=C\c2ccc3c(c2)c2ccccc2n3CC)C(=O)O)[nH]1 7342527 HPWBXYUHHANMDA-PDGQHHTCSA-N 392.484 4.713 0 40 GJAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc(Cl)c3C)n2)cc1 7456058 HEWDYDFBHNKSHM-ZDUSSCGKSA-N 386.908 4.861 0 40 GJAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1cc(F)cc(F)c1 7596654 ACGHZWWINYTNLM-UHFFFAOYSA-N 391.805 4.719 0 40 GJAB COc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1OC(F)F 7609286 MRUIVELTDOZYBK-UHFFFAOYSA-N 376.384 4.672 0 40 GJAB CCOc1ncccc1C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 7989734 MSKWGOHONFDFED-GOSISDBHSA-N 391.496 4.585 0 40 GJAB COc1ccc(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)cc1 8023451 TXCMJGIUVZHTNV-UHFFFAOYSA-N 395.528 4.900 0 40 GJAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)cc1 8476261 DTDUVNIMWKGMIM-UHFFFAOYSA-N 394.906 4.959 0 40 GJAB Cc1cccc(C)c1NC(=S)Nc1ccccc1C(=O)NCc1ccco1 8687301 JVRROQWQRJGPOV-UHFFFAOYSA-N 379.485 4.635 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccccc2F)CC1 9063470 OXRBEDIFZWATOX-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB CC(C)n1ncc2c(C(=O)Nc3ccc(F)c(F)c3)cc(-c3ccco3)nc21 10511128 TUGXRGYANNWSDB-UHFFFAOYSA-N 382.370 4.803 0 40 GJAB CCCOc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(C)n1 12225585 GYQAEJMIFFFSNS-UHFFFAOYSA-N 380.423 4.709 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3OC(F)(F)F)n2)cc1 12809124 NABCKKSFGRUKAQ-UHFFFAOYSA-N 391.349 4.515 0 40 GJAB C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1Cl 12850265 IWRYUSJYMGEHIM-OCCSQVGLSA-N 391.298 4.762 0 40 GJAB Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c(C)o1 12919938 ZWMAIGVTUORSMA-INIZCTEOSA-N 376.456 4.982 0 40 GJAB O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1c(Cl)cccc1Cl 15008540 RUKNCUZGRKCLBD-OVCLIPMQSA-N 380.252 4.936 0 40 GJAB Cc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)cc2)cc1 15413371 WEHWAIQATNBQCL-DEOSSOPVSA-N 384.479 4.733 0 40 GJAB CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)c1 16751290 WPKIPBVGYMKNQO-OAQYLSRUSA-N 391.467 4.927 0 40 GJAB CCOc1cc([C@@H]2NC(=O)c3ccccc3N2C)ccc1OCc1cccs1 18054171 JPIJARFMHDPOIP-OAQYLSRUSA-N 394.496 4.604 0 40 GJAB O=C(c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)CO2)c1cccs1 19349483 CELNCBDQWUBUAO-UHFFFAOYSA-N 383.856 4.558 0 40 GJAB COC(C)(C)C(=O)N1CCC[C@H]1c1cc(Cc2ccccc2Cl)cc(C)n1 19691970 WAXWQVCXNXVLBF-FQEVSTJZSA-N 386.923 4.723 0 40 GJAB CCN(Cc1ccc(F)cc1)[C@@H]1CCO[C@H](c2ccc(CN(C)C(C)=O)cc2)C1 19712684 ANBLFFTUVUBMSR-RPWUZVMVSA-N 398.522 4.546 0 40 GJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(Br)c1 20137994 JWVYHQJLQGFNBI-UHFFFAOYSA-N 386.245 4.762 0 40 GJAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1 20142226 DCSHZZOVKVXJJB-HNNXBMFYSA-N 395.455 4.877 0 40 GJAB NC(=O)Nc1cccc(C(=O)Nc2ccccc2Oc2ccccc2Cl)c1 24401229 QBXNTCHNZKJSPF-UHFFFAOYSA-N 381.819 4.875 0 40 GJAB Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c(C)c1 28527906 ROSHLBCZZJWCOD-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB Cc1noc2ncc(C(=O)N[C@H](c3ccccc3)c3cc4ccccc4o3)cc12 30999398 WYMWKHVEKXRHAH-OAQYLSRUSA-N 383.407 4.797 0 40 GJAB Cc1sc2c(c1C)C(=O)N[C@@H]1/C(=C/c3ccccc3O)c3ccccc3CN21 32679283 MJDFVRIKKLBJSG-DGKKPVBHSA-N 388.492 4.701 0 40 GJAB CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2Cl)N1 35882598 KTQLOLSJZZPXLH-ROUUACIJSA-N 389.282 4.642 0 40 GJAB biogenic O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2SCc1ccccc1Cl 41104801 RXEMOKKOKJZTOR-QGZVFWFLSA-N 390.936 4.616 0 40 GJAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OC[C@@H]2CCCO2)cc1 59417100 JWRWMKXKCMQQRV-INIZCTEOSA-N 395.377 4.524 0 40 GJAB O=c1c2ccccc2nc(SCc2cccc(F)c2)n1Cc1cccs1 67259521 WKLRVYDZIZJSBN-UHFFFAOYSA-N 382.485 4.938 0 40 GJAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)Cc2ccccc2)n1 72357749 NKHVVIOKYUYUFP-HSZRJFAPSA-N 386.495 4.587 0 40 GJAB COc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(OC)c3)C2)cc1 72358400 PZWVZKBUOJUFJV-FQEVSTJZSA-N 389.499 4.540 0 40 GJAB CCOc1ccccc1-c1csc(NC(=O)c2ccc(C(F)(F)F)nc2)n1 95953263 KWSRIESXPADLPH-UHFFFAOYSA-N 393.390 4.875 0 40 GJAB COc1ccc(CCN[C@@H](c2cccnc2)c2cc3ccccc3o2)cc1OC 95996203 USDQWIVWZOKDTG-DEOSSOPVSA-N 388.467 4.767 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1CN(C)Cc1cccnc1 96003574 UTOSAYYQJSJRIA-UHFFFAOYSA-N 375.303 4.574 0 40 GJAB CCOc1ccc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)cc1 96192032 IVFCTOAAVUEOGQ-UHFFFAOYSA-N 382.508 4.631 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 222935925 ZDMVXQSABVPPFF-SFTDATJTSA-N 377.513 4.970 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223659051 INMBLVOXWQGSBR-OAQYLSRUSA-N 383.532 4.954 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCCCC2)cc1 223773646 XCHVYITXQSNLNT-UHFFFAOYSA-N 380.532 4.605 0 40 GJAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)c1 224521595 JTXUMECSRIAKSU-RTWAWAEBSA-N 392.528 4.650 0 40 GJAB O=C(COc1cccc(Cl)c1)Nc1nnc(-c2ccc(Cl)cc2)s1 225445019 HBSSUSQAPCINKX-UHFFFAOYSA-N 380.256 4.529 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225699036 NAZBPFAYDNGPBQ-HSZRJFAPSA-N 390.568 4.721 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc3c(n2)[C@@]2(C)CC[C@H]3C2(C)C)c(C)c1 229818922 HUGYMRCSEVANHW-DOQJBMMISA-N 396.560 4.783 0 40 GJAB Cc1cc([C@@H]2CCCCN2C(=O)c2ccc(F)cc2)nc(-c2c(C)noc2C)n1 257311632 UKJIVWISGYQIEW-IBGZPJMESA-N 394.450 4.563 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3C)n2)cc1 408696147 WTCRAMRYYNHFMO-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB O=C(Nc1ccccc1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408981056 YODJYGVPTYUUDX-UHFFFAOYSA-N 379.423 4.872 0 40 GJAB COCc1cc(C)nc2sc(C(=O)Nc3cc(Cl)ccc3C)c(N)c12 409374188 KQQLPOYKPXJTPV-UHFFFAOYSA-N 375.881 4.547 0 40 GJAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c1 409381785 NIEXDVHIFVGQLL-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cn1ccc2c(C(=O)N3CCC[C@@H](COc4ccccc4Cl)C3)cccc21 532804457 HNPQPCMQHXNVTM-MRXNPFEDSA-N 382.891 4.763 0 40 GJAB O=C(Nc1ccc(F)cc1)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1 585444153 YXASFLPZDKNTMD-UHFFFAOYSA-N 389.390 4.843 0 40 GJAB COc1ccc([C@H](NC(=O)Nc2ccc3c(ccn3C)c2)C(C)C)cc1OC 604419222 PPUHFGFSQAYXTM-OAQYLSRUSA-N 381.476 4.714 0 40 GJAB CO[C@H]1C[C@@H]2CN(Cc3cccs3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242879 XEZSEBNJVHISQB-YVCBRDFCSA-N 381.545 4.504 0 40 GJAB COC(=O)c1c(C)oc2ccc(OCc3ccc(Br)cc3)cc12 639363 FLFNJLLWAHYKAB-UHFFFAOYSA-N 375.218 4.869 0 40 GJAB biogenic ClC1(Cl)C[C@H]1CSc1nnc(-c2ccc(Br)cc2)o1 645130 KVWXLUSJOXOIHN-QMMMGPOBSA-N 380.094 4.785 0 40 GJAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)C3CCCCC3)c(=O)[nH]c12 790254 IGURUONNOCKXQW-UHFFFAOYSA-N 388.511 4.946 0 40 GJAB COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3C(C)=CC2(C)C)cc1 1066266 DYTUMNCSQWFTKO-UHFFFAOYSA-N 377.893 4.739 0 40 GJAB O=C(CCC1CCCC1)Nc1cccn(Cc2c(F)cccc2Cl)c1=O 1354171 ALEXXFCSZTUKOK-UHFFFAOYSA-N 376.859 4.598 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)OC1CCCCC1 1698188 QVCPMNAIEUCUFA-UHFFFAOYSA-N 377.437 4.540 0 40 GJAB NC(=O)c1c(NC(=O)/C=C/c2cccc3ccccc23)sc2c1CCCC2 2696508 RYERUOCWSCYYHW-OUKQBFOZSA-N 376.481 4.531 0 40 GJAB FC(F)(F)c1cnc(Sc2nc3nccc(-c4ccco4)n3n2)c(Cl)c1 3134295 WMFCTAQSHVPDHV-UHFFFAOYSA-N 397.769 4.603 0 40 GJAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccccc1Oc1ccccc1 3403755 NGVJYBSWFOQXNG-UHFFFAOYSA-N 391.423 4.708 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N(C)C3CCCCC3)s2)c1C 3463439 MKIVISLHAPZJPR-UHFFFAOYSA-N 390.578 4.782 0 40 GJAB COc1ccccc1Nc1nnc(SCc2nc3ccccc3nc2C)s1 3503703 KJLIYPCSHYWALC-UHFFFAOYSA-N 395.513 4.834 0 40 GJAB COc1cccc(-c2nnc(NC(=O)c3ccc(Oc4ccccc4)cc3)o2)c1 4276057 WVFBDQCQQSHCBV-UHFFFAOYSA-N 387.395 4.790 0 40 GJAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 5347042 VHBYYOXUYWZMCM-INIZCTEOSA-N 390.439 4.843 0 40 GJAB CC[C@H](OC(=O)c1cccc(NC(=O)c2ccccc2)c1)C(=O)c1ccccc1 5875160 MLFPRQHAKWKJKO-NRFANRHFSA-N 387.435 4.757 0 40 GJAB O=C(COc1ccc(-n2ccnc2)cc1)Nc1cc(Cl)c(Cl)cc1Cl 6619431 BEBHAHPJDFEVOO-UHFFFAOYSA-N 396.661 4.850 0 40 GJAB CCOc1cc(C(=O)Nc2cccc(OC)c2)cc(Br)c1OCC 6844721 ZHOPODIOFFNCGV-UHFFFAOYSA-N 394.265 4.507 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(N2CCCC2)cc1 7906671 BQWVCIDLJXYXBS-MRXNPFEDSA-N 394.544 4.528 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c(C)c1 7928023 SFNVYFGRXFFEHB-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 8586766 CPALUPDEWOPEPW-HNNXBMFYSA-N 388.423 4.909 0 40 GJAB COc1cc(C)c(NC(=O)COc2ccc(Nc3ccccc3)cc2)cc1OC 8707766 MBYSZKQPJWTADC-UHFFFAOYSA-N 392.455 4.773 0 40 GJAB COc1ccc(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1 9346928 NOWJXOXAQBDXRX-UHFFFAOYSA-N 391.905 4.598 0 40 GJAB CCOc1ccc(-n2c(SCCOC)nnc2-c2c[nH]c3ccccc23)cc1 9967646 ACCQMAPNGSCAFL-UHFFFAOYSA-N 394.500 4.553 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 12580047 MJXQTHLMHYAOHL-INIZCTEOSA-N 375.259 4.638 0 40 GJAB Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 12814997 IVTFHDWJVMJBPE-HIGJEIRPSA-N 384.545 4.975 0 40 GJAB CCC[C@H](NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12)c1ccccc1 12928142 GEOLFUYZMWALFX-AZUAARDMSA-N 392.528 4.811 0 40 GJAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2cccc(F)c2)cc1OC 13759015 FKRPXPXSMAVQSM-TUACAJSNSA-N 399.506 4.711 0 40 GJAB CC(C)n1cc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccccn2)c2ccccc21 19454798 FMILMRXZAGAZQI-KEVCNVLYSA-N 389.543 4.737 0 40 GJAB Cc1cccn2cc(C(=O)N(C)c3nc(-c4ccc(Cl)cc4)cs3)nc12 19718846 KHQSJGIDNSZALN-UHFFFAOYSA-N 382.876 4.696 0 40 GJAB COc1ccc([C@@H]2CCCCCN2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 22185706 ZZPVYQPGYOCFLB-FQEVSTJZSA-N 397.906 4.702 0 40 GJAB COc1ccc(-c2nonc2NC(=O)COc2cc(C)ccc2C(C)C)cc1C 27740781 CLINDFHYKKDDIU-UHFFFAOYSA-N 395.459 4.503 0 40 GJAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1ccccc1Cl 28228957 ANAXELDGDJIRTR-UHFFFAOYSA-N 391.805 4.720 0 40 GJAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(Cl)c1 32073872 YUTWBYFXZKDFNF-MRXNPFEDSA-N 398.825 4.823 0 40 GJAB O=C(NCc1ccnc(OCc2ccccc2)c1)c1cccc(Cl)c1Cl 32930388 SPLPLBHYNRRYFB-UHFFFAOYSA-N 387.266 4.897 0 40 GJAB Cc1cccc(NC(=O)N2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2C)C3)c1 35291884 DFVSUUHSRVHVTD-SEJPIABJSA-N 391.515 4.651 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)CSc1nc2ccccc2nc1C 40052108 KDZBTLWKMVCNTM-UHFFFAOYSA-N 392.528 4.578 0 40 GJAB CCc1cccc2c(C3=CCN(C(=O)c4cc(=O)c5ccccc5o4)CC3)c[nH]c12 40057920 KKYMLEQCDHXCST-UHFFFAOYSA-N 398.462 4.766 0 40 GJAB O=C(Nc1ccccc1)c1cccc(CNC(=O)c2cc(Cl)ccc2F)c1 40106727 BFATWGGWRLOJNI-UHFFFAOYSA-N 382.822 4.661 0 40 GJAB Cc1cc(OS(=O)(=O)c2cc(C)c(Cl)cc2Cl)c2ccccc2n1 41097173 QXVOIBIXKFBPJG-UHFFFAOYSA-N 382.268 4.926 0 40 GJAB Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)c(Cl)c1 49004615 QAAIFQWIMQJXTD-UHFFFAOYSA-N 380.879 4.880 0 40 GJAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)CCOc1ccccc1F 58289242 ZEWILXLKRKVUNG-CYBMUJFWSA-N 375.831 4.601 0 40 GJAB Cc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 67288450 UELGKORFXXRWIE-UHFFFAOYSA-N 377.463 4.921 0 40 GJAB Cc1cccc(-c2nc3cc(Br)c(N)c(Br)c3o2)c1 70461285 VIMBCZBWRMYEDO-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(Br)nc1 72211583 AQJJNTJNKABUME-MRXNPFEDSA-N 375.266 4.708 0 40 GJAB COc1ccc(NC(=O)NC2(c3nc(C4CC4)no3)CCCCC2)cc1Cl 77197395 JDTZTMGFLPEAOC-UHFFFAOYSA-N 390.871 4.590 0 40 GJAB O=C(CSc1nc2ccccc2s1)Nc1cc(F)ccc1OC(F)F 95414296 UOQAHOYKGCOENK-UHFFFAOYSA-N 384.404 4.768 0 40 GJAB COCCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c1c1ccccc1n2C 96037232 WLGNHQKAKBMYRM-UHFFFAOYSA-N 375.472 4.649 0 40 GJAB CC(C)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)Nc1ccc(OCC2CCOCC2)cc1 101910439 CNZNAHPCJIEEEG-ACRUOGEOSA-N 398.547 4.947 0 40 GJAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(O)cc3)c3ccccc3C2=O)cc1C 102575244 VRKRRVPCBIYJGK-HMAPJEAMSA-N 384.435 4.649 0 40 GJAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4cccc(C)c4)C3=C(O)C2)cc1 102578800 JTKACBHEXOEHJQ-VGSWGCGISA-N 386.455 4.660 0 40 GJAB COc1ccc([C@H](NC(=O)c2ccc(N3CCC(C)CC3)cc2)C2CC2)cc1 141540549 MWRAQCWRIOFLIZ-HSZRJFAPSA-N 378.516 4.813 0 40 GJAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1nc2ccc(Br)cc2[nH]1 201854277 ARBSSFMNBROROX-AWEZNQCLSA-N 380.286 4.788 0 40 GJAB COc1ccc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cc1F 206998775 BCNQATYSCDSWCK-SFHVURJKSA-N 379.884 4.808 0 40 GJAB CCOC(=O)c1cc(NC(=O)CSCc2ccccc2F)ccc1Cl 222710388 OXGCTKDDYGQCRO-UHFFFAOYSA-N 381.856 4.528 0 40 GJAB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2c1 223004532 OHCIOVMQDKYTQB-MRXNPFEDSA-N 395.524 4.767 0 40 GJAB CC[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 223076752 GGDNZXSKCQZCDH-HXUWFJFHSA-N 377.937 4.790 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc4c(c3)CCCC4)s2)cc1 225039135 LNTUDXDGRJJKQX-HNNXBMFYSA-N 393.512 4.798 0 40 GJAB CC(C)(C)c1ccc(O[C@@H](Cc2cccc(Br)c2)C(=O)O)cc1 225063252 AGSGQCZZJMBJIF-KRWDZBQOSA-N 377.278 4.821 0 40 GJAB O=C(c1ccco1)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225256435 MOHNQYYJXFPJMN-GZTJUZNOSA-N 383.498 4.536 0 40 GJAB CC[C@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc(OC)c(C)c1 225296076 RBATXBSSZRZZNR-QFIPXVFZSA-N 391.515 4.746 0 40 GJAB CN(C(=O)c1ccc(-c2ccc(Br)cc2N)o1)C1CCCCC1 226303782 IQBZSCZUWGKIKH-UHFFFAOYSA-N 377.282 4.696 0 40 GJAB CC(C)n1nccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257231462 GGUAYTUIYXRXNG-IBGZPJMESA-N 396.466 4.549 0 40 GJAB O=C(NCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 408586182 LTMLOOUENKIACE-UHFFFAOYSA-N 396.284 4.958 0 40 GJAB O=C(NCC[C@@H](CCO)c1ccsc1)C1c2ccccc2Oc2ccccc21 575605634 BTBPFAWNADYQRI-INIZCTEOSA-N 393.508 4.658 0 40 GJAB COc1cccc(-c2cnc(CN(Cc3ccc(F)cc3)C3CCOCC3)o2)c1 585082883 GDCNMXGJDJDLFY-UHFFFAOYSA-N 396.462 4.671 0 40 GJAB Cn1ncc(C2CCC2)c1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 585100151 BQZYAKNMUUGGKK-FQEVSTJZSA-N 398.510 4.731 0 40 GJAB COc1cc(C(=O)O[C@@H]2CC(C)=CCCC(C)=C[C@@H](O)[C@H]2C(C)C)ccc1O 1559556398 OLJDCWYDXLXFJK-CEMLEFRQSA-N 388.504 4.636 0 40 GJAB biogenic CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](O)c2ccccc2F)cc1 2207466 MBRFXMGACHREKF-IDISGSTGSA-N 391.423 4.836 0 40 GJAB CCCCOc1ccc(CONC(=O)COc2ccc(Cl)cc2Cl)cc1 2299177 FQJJOOLEGDPPLR-UHFFFAOYSA-N 398.286 4.799 0 40 GJAB CCn1c(NC(=O)c2ccccc2)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 2352540 VDMYKYRKADLWBA-UHFFFAOYSA-N 398.462 4.949 0 40 GJAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc(N3CCc4ccccc4C3)ncc21 2411986 DGFCWKWYUBYITF-GOSISDBHSA-N 389.886 4.605 0 40 GJAB Cc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c(C)c1 2422729 RSSXYANNEFSCGQ-UHFFFAOYSA-N 386.521 4.560 0 40 GJAB CN(C)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 3217401 LOPGINRZVURMPZ-UHFFFAOYSA-N 388.496 4.919 0 40 GJAB aggregator O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1c(F)cccc1F 4088744 LKHSTRNBFPIMRG-UHFFFAOYSA-N 391.830 4.803 0 40 GJAB O=C(NCCc1nc2ccccc2n1Cc1cccc(Cl)c1)C1CCCCC1 4384995 OGGJYPQCXXMZLP-UHFFFAOYSA-N 395.934 4.977 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 4743104 XNTYYYINMGRBQW-ZEZONBOOSA-N 388.548 4.894 0 40 GJAB in-vitro CC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 4816846 MYUFUSQOGBNFNF-QZTJIDSGSA-N 387.270 4.672 0 40 GJAB CCC[C@@H](NC(=O)COC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1 5147231 YOGGIBNPRJRFGA-TUQDCPSNSA-N 394.496 4.510 0 40 GJAB CCC[C@@H](CC(=O)O)c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 5567799 JZWLSXINEVHWEP-AVGNSLFASA-N 388.460 4.535 0 40 GJAB biogenic,in-vitro Cc1ccc(C)c(NC(=O)CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1 5625956 YVHCVBKPGGBRNU-UHFFFAOYSA-N 396.922 4.651 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Cn1ccc2cc(Br)ccc21 5986302 USDASWKETSFJQC-UHFFFAOYSA-N 393.668 4.705 0 40 GJAB Clc1ccccc1CNc1nc2ccccc2c2nc(-c3cccnc3)nn12 6805420 QSYLCSFLGMXPAC-UHFFFAOYSA-N 386.846 4.605 0 40 GJAB CCc1nnc(S/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)O)[nH]1 7342508 NVGJYPXIFVVOQE-BOPFTXTBSA-N 396.516 4.609 0 40 GJAB Cc1ccc(NC(=O)[C@H](Sc2nnc(NC3CC3)s2)c2ccccc2)cc1 7577493 QLERAYUSGSRBQL-QGZVFWFLSA-N 396.541 4.893 0 40 GJAB Cc1cccc(OCC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 7670848 DJPYZODMIORGBI-UHFFFAOYSA-N 380.425 4.989 0 40 GJAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C(C)C)cccc3s2)no1 9207043 RLRSDDNFOQTPHO-UHFFFAOYSA-N 392.484 4.958 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccs1 10303162 XBYNKPOAQUTRAF-UHFFFAOYSA-N 386.546 4.881 0 40 GJAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)/C=C/c2ccc(F)cc2)n1 11057784 QDISFPSXSNRFNO-RUDMXATFSA-N 399.422 4.699 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1csc(-c2ccccn2)n1 12254082 UWOPVPFGRZSRCN-UHFFFAOYSA-N 377.425 4.526 0 40 GJAB Cc1nc2ccccc2nc1CS[C@@H](C)C(=O)NCc1ccccc1Cl 12976718 GXPNJLLOLBSPDU-AWEZNQCLSA-N 385.920 4.530 0 40 GJAB COc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCCC[C@@H]2C)cc1 13361836 GAUGLBVEJRYEEX-GHTZIAJQSA-N 378.516 4.552 0 40 GJAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)cc1 13709707 OGQLYENFHTUXQT-CYBMUJFWSA-N 384.328 4.810 0 40 GJAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 14899897 YUVMYYMQARQPSD-OAHLLOKOSA-N 391.298 4.543 0 40 GJAB Cn1c(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)nc2ccccc21 16694806 SYZUWDRUQOGBAG-QFIPXVFZSA-N 387.508 4.723 0 40 GJAB COCc1cc(O)n2nc(Cc3ccccc3)c(-c3cccc4ccccc34)c2n1 17058503 AGXKGCAPPSVSSV-UHFFFAOYSA-N 395.462 4.992 0 40 GJAB CCc1ccc(-c2nc(C)c(C(=O)Oc3ccc(NC(C)=O)cc3)s2)cc1 17344037 VKFUETZDCSJENR-UHFFFAOYSA-N 380.469 4.859 0 40 GJAB Cc1ccc2nc(CCc3ccc(NC(=O)CC[C@H]4CCCO4)cc3)[nH]c2c1 19221552 JOEYDZYBIDKDDL-LJQANCHMSA-N 377.488 4.554 0 40 GJAB CC(C)n1c(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)nc2ccccc21 19454743 STFGYUGOXOIRGT-QHCPKHFHSA-N 381.495 4.630 0 40 GJAB O=C(C[C@@H](Cc1ccc(Cl)cc1)C(=O)O)Nc1cccc(C(F)(F)F)c1 20027328 CXSXIMGCJJPWRN-GFCCVEGCSA-N 385.769 4.631 0 40 GJAB Cc1csc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)n1 21335007 DGKVENQRFHAKBQ-KRWDZBQOSA-N 382.510 4.711 0 40 GJAB Cc1ccc(-c2nsc(NC(=O)COc3ccc(Cl)c(C)c3)n2)s1 21659723 YUURRXFZDWQMCE-UHFFFAOYSA-N 379.894 4.554 0 40 GJAB COc1ccccc1-c1sc2ccccc2c(=O)c1I 21997192 BYLMHYCFBBEHNL-UHFFFAOYSA-N 394.233 4.542 0 40 GJAB O=C(Nc1ccccc1Br)c1cccnc1Nc1ccc(F)cc1 22072654 WEZGFQRHGMREFA-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB Cc1c(C(=O)Nc2cccc(NS(C)(=O)=O)c2)oc2c1ccc1ccccc12 23100189 IPSLQMMUOADWCN-UHFFFAOYSA-N 394.452 4.518 0 40 GJAB O=C(Nc1ccccc1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 26456159 XOLITFQXOZHQTR-UHFFFAOYSA-N 376.641 4.745 0 40 GJAB CN(C)C(=O)[C@H](Sc1nc2c(n1-c1ccccc1)CCCC2)c1ccccc1 26483573 QIGYVRXTORCWBX-OAQYLSRUSA-N 391.540 4.673 0 40 GJAB COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCCCCC2)cc1 27583030 XUWZHTHJMFDVOG-NRFANRHFSA-N 386.923 4.696 0 40 GJAB biogenic CCOc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)ccc1Cl 27824892 HRBXHPVBIIZERM-UHFFFAOYSA-N 398.267 4.708 0 40 GJAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1Cl 32101648 NVFHJHJFLXTVLY-MRXNPFEDSA-N 398.825 4.823 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)Cc2nc(-c3ccccc3)oc2C)cc1 32900242 MZMNUZJDFUVEKE-NRFANRHFSA-N 376.456 4.565 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3ccccc3Cl)c12 36613707 SIDMQLJXLLUWIX-UHFFFAOYSA-N 395.821 4.921 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(Cl)cc2Cl)c1 40009661 ZJEAZGWKFSUYRL-QGZVFWFLSA-N 380.271 4.988 0 40 GJAB Cc1ccc(Cc2cnc(NC(=O)CCCc3nc(C(C)C)no3)s2)cc1 40130955 NEUFYHZTQASNLH-UHFFFAOYSA-N 384.505 4.510 0 40 GJAB O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCc2sccc2C1 44775917 GQEYTJGOFVVFTJ-HZPDHXFCSA-N 380.538 4.993 0 40 GJAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 44839834 VDAHJPLVWMZFEU-KRWDZBQOSA-N 394.515 4.718 0 40 GJAB COc1ccc2[nH]c(C(=O)N(Cc3ccc([C@H]4C[C@@H]4C)o3)C3CC3)cc2c1OC 48314676 XWGVUKAKTQMNHT-BBRMVZONSA-N 394.471 4.706 0 40 GJAB COc1ccccc1[C@H](C)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 53175085 CWUXCWWBIHLQNU-NSHDSACASA-N 386.801 4.657 0 40 GJAB biogenic CC1(C)CC(N(Cc2ccccn2)Cc2ccnc3ccccc23)CC(C)(C)N1 57810497 ZCTGOXSXSMKVRU-UHFFFAOYSA-N 388.559 4.941 0 40 GJAB CCOC1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)CC1 58156119 TYIAEEZYRLSBNH-UHFFFAOYSA-N 390.483 4.958 0 40 GJAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(Oc2cccnc2)cc1 63721840 WYEHAHLFYHZCDK-QFIPXVFZSA-N 375.472 4.970 0 40 GJAB Cc1cccc(NC(=O)CSc2ncnc3c(-c4cccc(F)c4)c[nH]c23)c1 65113694 RRETWMBNWAMGHZ-UHFFFAOYSA-N 392.459 4.803 0 40 GJAB CC[C@@H](C)Cc1c(C)sc2[nH]c(SCc3nc(C)c(C)o3)nc(=O)c12 84721771 KFCQRZBVOHWKGA-SECBINFHSA-N 377.535 4.779 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 98072452 NVLQKTPHDGBYNL-AWEZNQCLSA-N 390.936 4.941 0 40 GJAB COc1cc(C[C@@H]2C(=O)N(c3ccccc3)c3ccccc32)cc(OC)c1OC 101015096 MTXMJVMXHPUSHP-IBGZPJMESA-N 389.451 4.717 0 40 GJAB O=C(COc1ccccc1F)N1CCS[C@@H](c2ccccc2Cl)CC1 206992601 HRALCYYVQOSQKV-GOSISDBHSA-N 379.884 4.565 0 40 GJAB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc3ccccc3c1)CC(C)(C)O2 222837487 WMMZUEDTKLHCAU-OAQYLSRUSA-N 375.468 4.946 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N(CC)Cc1nc(-c2cccs2)no1 222975223 KFRPUZHQHRFIPN-INIZCTEOSA-N 399.516 4.621 0 40 GJAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C(C)C 223474158 QLBCHEASIBCAHB-KRWDZBQOSA-N 375.534 4.783 0 40 GJAB Cc1nc(NC(=S)NC2CCCCCC2)c(Cl)cc1Br 224040224 ZEWJARXKCHMCNE-UHFFFAOYSA-N 376.751 4.815 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1Cl 224947294 NCLGPXAHPMQQLS-ROUUACIJSA-N 385.876 4.514 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 225156962 KMTKYVQEAKZDGK-UHFFFAOYSA-N 398.528 4.959 0 40 GJAB O=C(CCc1ccc(Cl)cc1Cl)NCC1(c2ccccc2)CCOCC1 225381707 HFVUCQBTIGFETF-UHFFFAOYSA-N 392.326 4.791 0 40 GJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSc1ccc(Cl)cc1 225556713 JLDVEAUZJWJBKG-OAHLLOKOSA-N 389.948 4.895 0 40 GJAB COc1cc([C@H]2C[C@@](C)(NC(C)=O)C[C@@H](c3ccc(Cl)cc3)O2)ccc1F 257304095 SKASTHATBDJIQK-HBMCJLEFSA-N 391.870 4.975 0 40 GJAB O=C(Nc1ccc(F)cc1F)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408674668 BCILFXQRAQQIHQ-UHFFFAOYSA-N 394.352 4.845 0 40 GJAB Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c1 408722683 CMIAFNSEMWKMLP-XWYWGPMTSA-N 393.486 4.740 0 40 GJAB COc1ccc([C@@H]2SCCN2C(=O)Nc2cccs2)cc1Br 1775965386 DBZUKANYRKKHJA-AWEZNQCLSA-N 399.335 4.799 0 40 GJAB Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@]2(C)C1=O 828226 UMTHBAXVVOYZLI-GLSWWRQESA-N 379.459 4.782 0 40 GJAB Cc1nc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccc(Cl)cc1 1401489 XCUYSRDBWBILBO-UHFFFAOYSA-N 381.650 4.788 0 40 GJAB Cc1ccccc1NC(=O)CSc1nnc(-c2csc3c2CCCC3)o1 1405204 ZFCMJOZPJWYLRH-UHFFFAOYSA-N 385.514 4.716 0 40 GJAB O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc2ccccc2c1 1624395 WQCYNLDLKZSHSU-HXUWFJFHSA-N 386.234 4.559 0 40 GJAB CCOC(=O)Cc1nnc(Nc2ccc(Cl)c(Cl)c2)c2ccccc12 2297814 WJORNCRILKNMPA-UHFFFAOYSA-N 376.243 4.786 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc4ncsc4c3)n2)c1 2631437 KPHFJCACUKYYSF-UHFFFAOYSA-N 397.481 4.689 0 40 GJAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 2740379 JNGKOQKJZPTSNE-IAGOWNOFSA-N 378.453 4.569 0 40 GJAB Cc1ccccc1OCCOc1cccc(/C=C2/N=C(c3ccccc3)OC2=O)c1 2991032 VFQPRNMBHPWRAB-OQKWZONESA-N 399.446 4.797 0 40 GJAB CN1CCN(NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)CC1 3174598 VLLXIFCIJGTDTP-UHFFFAOYSA-N 397.484 4.761 0 40 GJAB COc1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1 3207146 FUWRXUXWZBMCCD-UHFFFAOYSA-N 376.890 4.690 0 40 GJAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1O 3249661 SBNXOIZQZAZWER-FQEVSTJZSA-N 380.831 4.825 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=S)N4CCC[C@@H](CO)C4)cc3)sc2c1 3321501 LBIUPWMGSIVKIQ-OAHLLOKOSA-N 397.569 4.673 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 4623452 YQEZMPKEFBETTR-UHFFFAOYSA-N 380.753 4.970 0 40 GJAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccccc3)sc2c1 5265099 MJLUCQCCOXNMRK-UHFFFAOYSA-N 375.453 4.547 0 40 GJAB Cc1ccc(NC(=O)COC(=O)c2ccc(C3SCCS3)cc2)cc1C 5585088 OARNORZKUGSXLC-UHFFFAOYSA-N 387.526 4.578 0 40 GJAB O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)[C@H](c2cccnc2)N1 5600599 MIQSZALNOCTEQE-QHCPKHFHSA-N 378.435 4.552 0 40 GJAB CN(C)c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(F)cc32)cc1 6135794 VYIXIQOKOBSBGV-UHFFFAOYSA-N 392.865 4.979 0 40 GJAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3ccccc3F)c12 6285511 MOXMRSWOIUZOHY-UHFFFAOYSA-N 392.352 4.727 0 40 GJAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 6355909 STEUGUDCLGDMGA-OFNKIYASSA-N 381.560 4.895 0 40 GJAB COc1cc2sc(NC(=O)COc3ccc(Cl)c(C)c3)nc2cc1Cl 6471278 DWFWLTCHAGIIRJ-UHFFFAOYSA-N 397.283 4.938 0 40 GJAB O=C(Cc1ccccc1Cl)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6566922 OEHNXPPIDFFKFL-NRFANRHFSA-N 389.886 4.859 0 40 GJAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)Nc1cccc(Cl)c1 6882095 UZYQFGRHZNORKV-AWEZNQCLSA-N 385.920 4.768 0 40 GJAB CC(C)(C)C(=O)CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 6906062 IQMAVMRXMVLAFA-QGOAFFKASA-N 396.487 4.918 0 40 GJAB O=C(CSc1ccccc1F)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7407317 QGTWARGGOBMBEA-UHFFFAOYSA-N 396.491 4.541 0 40 GJAB CCOc1ccc(CN(C)C(=O)CCc2ccc(-c3ccccc3)o2)cc1OC 8037053 WVQBOWMPHLUUIS-UHFFFAOYSA-N 393.483 4.945 0 40 GJAB COc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)ccc1OCc1ccccc1 8161069 DTMOQFBRVRHVMC-FPOVZHCZSA-N 379.500 4.927 0 40 GJAB Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3ccccc3Cl)[nH]c2c1 8617297 NRARURZXNMPROP-UHFFFAOYSA-N 386.904 4.670 0 40 GJAB COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2)c1 9271944 REWGAOCNDQGFQH-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCC[C@@H]1c1nc2ccccc2s1 9516479 ZQNGKKPOKOCJGI-RHSMWYFYSA-N 398.915 4.865 0 40 GJAB Cc1cc(CSc2nnc(-c3ccccc3F)n2CCc2ccccc2)on1 9607841 ZSFONNMTXLNDOF-UHFFFAOYSA-N 394.475 4.916 0 40 GJAB COC(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccccc3s2)cc1 10526982 GVQKPCMJDCMDBQ-UHFFFAOYSA-N 392.436 4.523 0 40 GJAB COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 10810997 YYOSWFZBSMEGRW-UHFFFAOYSA-N 397.858 4.670 0 40 GJAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cccc(Cl)c1 12700441 HLTOAUZHUUFJEX-CYBMUJFWSA-N 398.919 4.917 0 40 GJAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 12770291 IFQWQVINLRPCKE-UHFFFAOYSA-N 396.434 4.696 0 40 GJAB Cc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 12914078 VKMVKVKFCGCMPH-UHFFFAOYSA-N 383.451 4.950 0 40 GJAB Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)cc1 14110914 WPVGDJVGVQJYBJ-MRXNPFEDSA-N 388.423 4.895 0 40 GJAB COc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1OC 14246183 CNOFHRBWPSLESV-UHFFFAOYSA-N 380.469 4.843 0 40 GJAB Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1ccco1 16807819 SJUUVFGRNUXTHK-UHFFFAOYSA-N 384.411 4.552 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)Cc2csc(-c3ccccc3)n2)cc1 19718765 YSNNHBTYRABGCA-HXUWFJFHSA-N 378.497 4.725 0 40 GJAB CC[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccccc1 20451764 CPXYOPHVLZNGTP-QGZVFWFLSA-N 376.294 4.712 0 40 GJAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)CC(C)C)cc3n2)c(C)c1 20611069 XFKLCQXHFUMPHS-UHFFFAOYSA-N 393.535 4.868 0 40 GJAB CCOc1ccccc1-c1nc(CC(=O)N(C)Cc2ccccc2C)cs1 22689523 JIBMAJWOELEJLW-UHFFFAOYSA-N 380.513 4.718 0 40 GJAB CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(C)n1 23792484 DLJCZRYTLIIGGS-JTQLQIEISA-N 398.359 4.932 0 40 GJAB O=C(CCSc1nnc(Nc2ccccc2F)s1)Nc1ccccc1F 32871008 UTSZQFUZONQQQK-UHFFFAOYSA-N 392.456 4.681 0 40 GJAB Cc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)[C@H](C(=O)c3ccccc3)CN2C)cc1 52530364 AOCPPFBBSZTNPG-SGNDLWITSA-N 383.491 4.980 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(OCc2nc(C3CC3)cs2)cc1 56907790 MLOYWQNMGYCJNZ-UHFFFAOYSA-N 394.452 4.581 0 40 GJAB CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2s1 57312915 SKWGKCRMGAYNIR-UHFFFAOYSA-N 389.864 4.559 0 40 GJAB CN(C)CCOc1ccc([C@@H](c2ccccc2)[C@@H](CCO)c2ccccc2)cc1 71625196 LSBUBGBAISEBHG-IZZNHLLZSA-N 389.539 4.925 0 40 GJAB O=C(Cc1cccnc1)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357917 MCCKIILNERPQNF-JOCHJYFZSA-N 391.902 4.627 0 40 GJAB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)N(c2ccc(O)cc2)C3=O)cc1 78547166 AEPWKCPPMQLIPX-QHCPKHFHSA-N 381.435 4.841 0 40 GJAB Cc1ccccc1OCc1nn2c(-c3oc4ccccc4c3C)nnc2s1 96194304 DKAXXVWUGGUGQX-UHFFFAOYSA-N 376.441 4.795 0 40 GJAB COC(=O)c1c(C)[nH]c(-c2ccc(Cl)cc2)c1[C@H]1C(=O)Nc2ccccc21 101648768 KHTDEQDDEDYTDF-KRWDZBQOSA-N 380.831 4.514 0 40 GJAB CSc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(O)CC(C)(C)CC1=N2 102663230 UAKAAXLLJCNBBQ-HNNXBMFYSA-N 376.432 4.586 0 40 GJAB COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c(OC)c1 216446431 PXRVUMLSFUIKIN-UHFFFAOYSA-N 388.467 4.519 0 40 GJAB CCc1cc(S(=O)(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)ccc1OC 223131026 QGGBVYHCXDMFMQ-NRFANRHFSA-N 387.545 4.566 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NC(C)(C)C 223539124 AFCIEEXLAVWAAE-MRXNPFEDSA-N 387.351 4.815 0 40 GJAB Cc1cnc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c(Cl)c1 223981415 WFNPYPDJALMUQQ-UHFFFAOYSA-N 377.916 4.981 0 40 GJAB O=C(NCCOc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 224275237 LMGIGRVUVGQVEH-UHFFFAOYSA-N 381.859 4.728 0 40 GJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C(=O)OC)c1 225826471 GZBAXWZVITYUOM-OAQYLSRUSA-N 379.497 4.576 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)on1 257271436 MYIHMVWZFNMAJE-QAQDUYKDSA-N 398.551 5.000 0 40 GJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3C)cc2N1 257283499 OYPLQCHMGHNCQG-UAHISNFZSA-N 398.473 4.536 0 40 GJAB COc1ccc2nc(NC(=O)c3cc(Cl)cc(Cl)c3OC)sc2c1 408624559 XSNYPAMJGPHENH-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB Cc1ccc(COc2ccccc2/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1 409086689 AMUBWVNXDAMDIX-QNGOZBTKSA-N 390.483 4.799 0 40 GJAB O=C(/C=C/c1ccccc1)N1CCC[C@H]1c1csc(Nc2ccccn2)n1 585293261 YVRQFCAWZDQCNM-DXRVJIQQSA-N 376.485 4.659 0 40 GJAB O=C(Nc1cccc(OCCF)c1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 626438317 QTMQDVFNYMQDST-OAHLLOKOSA-N 378.394 4.725 0 40 GJAB Cc1cc([C@@H](NC(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)C2CC2)ccc1F 1205494540 FMRKGTCHJBCSKL-NRFANRHFSA-N 393.466 4.511 0 40 GJAB CC[C@H](CSc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 1230688048 ZZSNRIZIJAWTPY-DAYGRLMNSA-N 386.483 4.931 0 40 GJAB CC(C)CNc1ccc2c(c1)CNCCCCCCCN2C(=O)c1ccncc1 2037931580 SUMXPWQDVFONOK-UHFFFAOYSA-N 394.563 4.850 0 40 GJAB CCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 643869 AZJWJWVHJSFBQK-HNNXBMFYSA-N 384.545 4.901 0 40 GJAB O=C(Nc1ccc(I)cc1)c1ccc(C(F)(F)F)cc1 682493 VTVLWVLMDYRPGZ-UHFFFAOYSA-N 391.130 4.562 0 40 GJAB in-vivo Cc1ccc(C(C)C)c(OC(=O)c2ccccc2I)c1 704485 CHXKKKUQOOZFRN-UHFFFAOYSA-N 380.225 4.942 0 40 GJAB NC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CCCC2 830366 XUZZTSAXIRMPDP-UHFFFAOYSA-N 384.288 4.677 0 40 GJAB O=C(CSc1nnc(-c2ccccc2Br)o1)c1ccc(F)cc1 872540 BKDDZWJCQNDSFW-UHFFFAOYSA-N 393.237 4.613 0 40 GJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(Cl)c2)cc1OCC 936432 SPCPXRHXSNRZNY-YRNVUSSQSA-N 375.852 4.798 0 40 GJAB CCOc1ccc(/C=C/C(=O)Nc2nnc(C3CCCCC3)s2)cc1OC 938654 GCJDILNNUIXFFJ-ZRDIBKRKSA-N 387.505 4.645 0 40 GJAB O=C(OCC(=O)c1cccs1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 1099272 LRFSKBFZAIGXBZ-UHFFFAOYSA-N 390.420 4.505 0 40 GJAB CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(NC(C)=O)cc2)cc1 1102532 VDKPABSPZVHNPG-QHCPKHFHSA-N 385.467 4.979 0 40 GJAB COc1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2Cl)CS3)cc1 1417181 FDVURDOCXOJYJV-UHFFFAOYSA-N 391.283 4.619 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 2657327 VAJIXHXVSVKNCM-FNORWQNLSA-N 397.805 4.919 0 40 GJAB Cc1ccc(-n2c(SCc3ccccc3C)nc3c(c2=O)SCC3)cc1 2719780 IGCSMUSHZGCMCP-UHFFFAOYSA-N 380.538 4.790 0 40 GJAB CCc1ccc(NC(=O)[C@H](C)OC(=O)Cc2c(Cl)cccc2Cl)cc1 3280741 UUMUYBJPKJVEON-LBPRGKRZSA-N 380.271 4.669 0 40 GJAB COc1ccc(/C=C/C(=O)OCCCC(=O)Nc2c(C)cc(C)cc2C)cc1 3361569 JKCRZXOIDRTLKO-FMIVXFBMSA-N 381.472 4.596 0 40 GJAB Cc1c(NS(=O)(=O)c2ccccc2F)cccc1-c1nc2cccnc2s1 4036396 GKWVJMUENOGOEX-UHFFFAOYSA-N 399.472 4.607 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1C[C@H](C(C)(C)C(C)C)C[C@H](C)C1=O 4061929 JQRKTVYMLPNBDE-IDLUEMFASA-N 388.504 4.829 0 40 GJAB CCCCn1cc(S(=O)(=O)c2ccc(CC)cc2)c(=O)c2cc(CC)ccc21 4193283 APIRTNPZFHHSQW-UHFFFAOYSA-N 397.540 4.759 0 40 GJAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccccc3F)C2=O)cc1Cl 4610554 WQOZFSPRTDOAJL-LZYBPNLTSA-N 376.840 4.893 0 40 GJAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cc(Cl)ccc1Cl 4648674 VTYSHEAYIUIOPL-UHFFFAOYSA-N 382.287 4.692 0 40 GJAB CCCCC(=O)NC(NC(=O)CCCC)c1cccc(OCc2ccccc2)c1 4747644 KDJVEGKQBVHBJH-UHFFFAOYSA-N 396.531 4.877 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nc(-c2ccccc2F)n[nH]1 4879321 XGGFYMOAJLBQFX-GFCCVEGCSA-N 380.448 4.764 0 40 GJAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N[C@H](C)C(C)C 4975644 ALOOIXLXIAJIJK-QGZVFWFLSA-N 390.483 4.528 0 40 GJAB O=C(Cc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 5265256 TZBJKXFISKZTPX-UHFFFAOYSA-N 395.434 4.745 0 40 GJAB Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1Cl 5448506 IFXJZLIMSFSJHP-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c1 6052471 IEWRCLBOTQZTGQ-UHFFFAOYSA-N 375.424 4.891 0 40 GJAB Cc1cc2oc(=O)cc(COC(=O)COc3cccc4ccccc34)c2cc1C 6085034 KCXZJHOOLZZHCD-UHFFFAOYSA-N 388.419 4.685 0 40 GJAB O=C(NCCCCCCNC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 6224876 FYQJJUMTHSHBRL-UHFFFAOYSA-N 393.314 4.714 0 40 GJAB O=C(Nc1ccc(I)cc1)c1cc(Cl)cc(Cl)c1 6277455 YFDPRGSMYLPXSM-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB Cc1cc(OCC(=O)N(Cc2ccccc2)c2ccccn2)cc(C)c1Cl 6804384 XZUXRKBRAMOBPD-UHFFFAOYSA-N 380.875 4.964 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c1C 6904025 SCEQYCODDYSPKN-UHFFFAOYSA-N 395.455 4.729 0 40 GJAB O=C(OCc1cn2cc(Cl)ccc2n1)C1(c2ccc(Cl)cc2)CCC1 7738723 IBFOPPRMQWUINP-UHFFFAOYSA-N 375.255 4.806 0 40 GJAB COc1cccc(Cn2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)cn2)c1 8167520 FGJOBDSJEQYMLS-UHFFFAOYSA-N 390.365 4.603 0 40 GJAB CCc1ccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)cc1 8428491 XHMRBUFJPZIVQT-UHFFFAOYSA-N 388.493 4.714 0 40 GJAB C[C@@H](C(=O)Nc1cccc2ccccc12)N(C)Cc1cnn(Cc2ccccc2)c1 8943453 UPLGDNHSGBFFPR-IBGZPJMESA-N 398.510 4.544 0 40 GJAB CCCCn1nnnc1CSc1ncnc2scc(-c3ccc(C)cc3)c12 9500315 FXICNEOLUSFDKV-UHFFFAOYSA-N 396.545 4.746 0 40 GJAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)c1cc(C)ccc1C 9663102 ZSHNTFBJFMLMKV-KRWDZBQOSA-N 379.529 4.869 0 40 GJAB CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 12413596 WPTARZQBSGOZSK-LLVKDONJSA-N 397.258 4.968 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCC[C@@H]2C)cc1 12437885 IDFRQUDXCNFELV-KRWDZBQOSA-N 380.513 4.755 0 40 GJAB Cc1ccc(CN(C)C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12811605 ANFFDQKECKOSOS-QFIPXVFZSA-N 382.504 4.695 0 40 GJAB C[C@H]1CCCCN1C(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 12844404 CHINCKVPFBKKJX-LBPRGKRZSA-N 399.438 4.639 0 40 GJAB CCCCc1noc([C@H](C)Sc2ncnc3c2cnn3-c2ccc(F)cc2)n1 12893249 VLXRJQQTJBKCHQ-LBPRGKRZSA-N 398.467 4.534 0 40 GJAB CCc1cccc(C)c1NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O 12977893 ATPUCAHNFSPTAM-UHFFFAOYSA-N 379.456 4.552 0 40 GJAB CCOC(=O)/C=C/c1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1 12994872 DFYKLAFJQJKVAS-VMPITWQZSA-N 384.482 4.700 0 40 GJAB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2Cl)c1 14100201 FWDBEUKFDFKUIE-HNNXBMFYSA-N 386.300 4.528 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)c1cccc(NC(=O)c2cccs2)c1 14125787 YEUZFOULSCHQJU-AWEZNQCLSA-N 380.469 4.500 0 40 GJAB O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)N[C@@H]1CCCc2ccccc21 14633067 UXBZGSQKZIHODG-RPBOFIJWSA-N 384.523 4.754 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(OC(F)(F)F)cc2)c1 15828218 WIACTIFEWUMXKE-QGZVFWFLSA-N 395.377 4.580 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 16048410 FQVFZMQDOCVTNY-GFCCVEGCSA-N 387.468 4.659 0 40 GJAB Cc1ccc(C)c([C@H](NC(=O)CCCN2CCCCCC2)c2ccncc2)c1 19132223 XFYLRCDGTONMDR-XMMPIXPASA-N 379.548 4.560 0 40 GJAB O=C(Nc1ccc(Cl)cc1)OC[C@H]1CN(c2ccc(Cl)cc2)C(=O)O1 20031882 YKMXWUFKOMSNAF-OAHLLOKOSA-N 381.215 4.567 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 20105273 GQDQZFMYDRXZSN-OAQYLSRUSA-N 382.504 4.629 0 40 GJAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1OCC 20451705 CFSYWMAKRQDCNY-LJQANCHMSA-N 385.504 4.575 0 40 GJAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](CC)Oc1cccc2ccccc12 20459310 CNLOJAYYGFFSRU-RBBKRZOGSA-N 382.548 4.768 0 40 GJAB CCCn1nc(NC(=O)COc2ccc(C)cc2)c2cc3cc(C)ccc3nc21 21596587 XESLNYSRUPUAIQ-UHFFFAOYSA-N 388.471 4.629 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2cccs2)CC1 21929665 XOKUJAVROSNOSC-UHFFFAOYSA-N 390.552 4.615 0 40 GJAB COc1ccc(CCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 22258428 SGWOFRGYDCLJJO-UHFFFAOYSA-N 395.886 4.900 0 40 GJAB CCc1ccc(-c2nn(CN(C)Cc3nc4ccccc4s3)c(=S)[nH]2)cc1 23851094 YGNQRRDVTHIZOJ-UHFFFAOYSA-N 395.557 4.869 0 40 GJAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 25302108 AIADJPMYCPGYTO-SJKOYZFVSA-N 375.428 4.552 0 40 GJAB Fc1cccc(CN(CCCn2ccnc2)Cc2ccccc2N2CCCC2)c1 36740198 QAOGDQMDBVJIIU-UHFFFAOYSA-N 392.522 4.715 0 40 GJAB CCn1cc(-c2nc(-c3ccc(SC)cc3)no2)c(=O)c2cc(F)ccc21 38654230 GTOGLMHNIADYQS-UHFFFAOYSA-N 381.432 4.599 0 40 GJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Br)c2)c1 52410713 XGUVWYHFQKOQSR-UHFFFAOYSA-N 381.657 4.703 0 40 GJAB CC(C)OCCCN1COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2C1 57176062 GCXWRWDLHKUWOQ-UHFFFAOYSA-N 397.446 4.566 0 40 GJAB Cc1ccc2c(CN(C)Cc3ccc(Br)cc3)cc(=O)oc2c1C 57303466 OPKOHGFCTANWSS-UHFFFAOYSA-N 386.289 4.804 0 40 GJAB CCOCCSc1nnc(-c2ccc(OC)c(OC)c2)n1C1CCCCC1 57746554 JWZANBBQCOILQP-UHFFFAOYSA-N 391.537 4.596 0 40 GJAB CS(=O)(=O)Cc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 63992955 WHEZAOFSPQPVEW-UHFFFAOYSA-N 389.480 4.585 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Oc2nccs2)cc1 77890286 XTXJMHOYRCXTQJ-UHFFFAOYSA-N 378.375 4.884 0 40 GJAB Cc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)n1 89688953 YCDTZORRSNASSL-UHFFFAOYSA-N 386.377 4.724 0 40 GJAB COc1ccc(SCC2CCN(C(=O)c3ccccc3Cl)CC2)cc1 90608251 VTPLDXKPJPJDLM-UHFFFAOYSA-N 375.921 4.993 0 40 GJAB COc1ccc(CNC2(c3nc(-c4ccsc4)no3)CCCCC2)c(OC)c1 95450130 DMUCWSZORZHHGY-UHFFFAOYSA-N 399.516 4.765 0 40 GJAB O=C([C@H]1CSc2ccccc2O1)N(Cc1ccccc1C(F)(F)F)C1CC1 95957717 WTKIMGBPTUWFDP-QGZVFWFLSA-N 393.430 4.750 0 40 GJAB CCc1oc(C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)cc1C 95965971 JDBPRZMKINHHBO-ZDUSSCGKSA-N 397.500 4.723 0 40 GJAB O=C(Nc1cc(CSCCO)ccn1)c1cc(-c2ccccc2)ccc1Cl 95979243 NNKXZDFTLTYTDG-UHFFFAOYSA-N 398.915 4.880 0 40 GJAB Fc1cccc(Cl)c1CN1CCC(c2nnc(-c3ccsc3)o2)CC1 96024372 IDIYEGVMGALRFB-UHFFFAOYSA-N 377.872 4.970 0 40 GJAB COc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC(C)C 100727361 PVIUSBYZGPPVIH-NHCUHLMSSA-N 399.506 4.636 0 40 GJAB CCOC(=O)N1[C@@H]2c3ccccc3[C@H](c3cc(Cl)ccc32)N1C(=O)OCC 103932846 YFNSJJUPTSYRJS-QZTJIDSGSA-N 386.835 4.678 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 216226404 UIEFKIYGYCXTTQ-MOPGFXCFSA-N 380.532 4.808 0 40 GJAB COc1ccc(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 216287200 GCXAHFCXDSFGBF-WZONZLPQSA-N 375.468 4.677 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219322154 IRDCNQWKKRDTQR-IRXDYDNUSA-N 391.895 4.782 0 40 GJAB CN(Cc1nc(-c2cccs2)no1)C(=O)CCc1cccc2ccccc12 222680566 NLZRYSWAEKYKON-UHFFFAOYSA-N 377.469 4.543 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223230066 VSGRJADCFOLGQF-ZIAGYGMSSA-N 388.305 4.583 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 223314050 HGLXOJWUJUBHCE-JOCHJYFZSA-N 394.559 4.568 0 40 GJAB CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 224713878 APXOFRATXVYCEE-UHFFFAOYSA-N 384.206 4.837 0 40 GJAB CCOC(=O)c1cc(NC(=S)NCCCc2cccc(C)c2)ccc1Cl 225393336 LQBYAVGBFCGJOW-UHFFFAOYSA-N 390.936 4.744 0 40 GJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CCC(=O)OC[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245239440 IWMSSVYTWMLNDF-XZWGFWATSA-N 388.548 4.593 0 40 GJAB Cc1cccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 408619836 HZDHNOBJTWYUJA-UHFFFAOYSA-N 376.481 4.701 0 40 GJAB COc1ccc(-c2cccc([C@H]3C[C@@H](NC(C)=O)[C@@H]4CCCC[C@H]4O3)c2)cc1 585261187 VDJMPVMRTYSFRH-OLKYXYMISA-N 379.500 4.887 0 40 GJAB COc1ccc(-c2cc(C(=O)N3CCC[C@H]3C3CC3)nn2-c2ccccc2)cc1 590720261 CVQTZHRIIHHXGC-QFIPXVFZSA-N 387.483 4.563 0 40 GJAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccccc1Cl 623789 XXKVOUIZYIZBHE-UHFFFAOYSA-N 383.238 4.980 0 40 GJAB Cc1cc(C)c2[nH]c3nc(S[C@H](C)C(=O)Nc4ccccc4C)nnc3c2c1 877623 GCBHPMSFQXQDNB-CQSZACIVSA-N 391.500 4.551 0 40 GJAB CCc1ccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccco2)cc1 1377729 VEGHIBJDHRUQOR-PMACEKPBSA-N 383.561 4.714 0 40 GJAB CCCn1nc(C(=O)Nc2cccc(Oc3ccccc3)c2)c2ccccc2c1=O 2629042 XEHKLQMGQQVBGQ-UHFFFAOYSA-N 399.450 4.851 0 40 GJAB COc1ccc(/C=C/C(=O)Oc2ccc(Br)cc2Cl)cc1OC 3281756 AWAUBGYOHWSKJV-XBXARRHUSA-N 397.652 4.739 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccccc1)c1ccccc1 3395794 HKDKBACBPRKIHS-NRFANRHFSA-N 375.424 4.622 0 40 GJAB Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1Cl 4313946 WMGNYSXPPSPIIS-UHFFFAOYSA-N 385.707 4.911 0 40 GJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2c(F)cccc2F)cc1 5256239 ABRJLFMBUJXGIQ-OAQYLSRUSA-N 397.425 4.802 0 40 GJAB COCCn1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc21 5266488 SBLUDJRGCHKGIX-UHFFFAOYSA-N 377.366 4.951 0 40 GJAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 5400051 LERJHVIJNYGTMI-SECBINFHSA-N 397.331 4.917 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1 6231640 ZCYMBJCUELEHTD-SNVBAGLBSA-N 399.082 4.618 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)COc1cccc(Br)c1 6307631 ABTIUSGHJGVVAC-UHFFFAOYSA-N 392.293 4.773 0 40 GJAB CC(C)/N=C1\S/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1C(C)C 6324963 VRISKHIBZGBSFS-NBEBQTRCSA-N 375.538 4.749 0 40 GJAB Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OCC(F)(F)F)c1 6483672 UQOGDBKXGXIKAS-UHFFFAOYSA-N 377.771 4.748 0 40 GJAB O=C(CSC(=S)N1CCCC1)N1c2ccccc2Sc2ccccc21 6590362 XHKUWWGUTHOIAP-UHFFFAOYSA-N 386.567 4.930 0 40 GJAB Cc1c(C(C)C)c2ccccc2n1CC(=O)N1CCN(c2ccccc2F)CC1 6959796 AZZSYBVYZFKZDQ-UHFFFAOYSA-N 393.506 4.561 0 40 GJAB CC(=O)c1sc(NC(=O)COc2ccc3c(c2)CCC3)nc1-c1ccccc1 7799875 HWWIHDWUXHNFQX-UHFFFAOYSA-N 392.480 4.519 0 40 GJAB O=C(CCc1nc2ccccc2o1)N1CCC(c2nc3ccccc3s2)CC1 8157270 AAQWZLPZANFTBF-UHFFFAOYSA-N 391.496 4.776 0 40 GJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)c1c[nH]c2ccccc12 8392999 TUIQHXNSIFQNQB-UHFFFAOYSA-N 380.498 4.798 0 40 GJAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4nc(C)cs4)sc3n2)c1 8995833 KQZQYEFQHURJOP-UHFFFAOYSA-N 396.497 4.571 0 40 GJAB CC(C)CC(=O)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 9053131 ZAMWAYMFIAFVGM-UHFFFAOYSA-N 375.475 4.702 0 40 GJAB Cc1nc(-c2ccccc2)nc2sc3c(=O)n(CCc4ccccc4)cnc3c12 9575894 CBNOGOVMWYLUBM-UHFFFAOYSA-N 398.491 4.619 0 40 GJAB CSc1ccc(CN(C)Cn2ncn(-c3cc(C)ccc3C)c2=S)cc1 12516813 QQNCMDHUYNATAP-UHFFFAOYSA-N 384.574 4.832 0 40 GJAB O=C(CSc1nnc(NC2CCCCC2)s1)N1CCC[C@@H]2CCCC[C@H]21 12971979 JJVOZFMAJQQQMG-GOEBONIOSA-N 394.610 4.556 0 40 GJAB O=C(O)c1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 13259446 AFWUVDVLQZUBDQ-UHFFFAOYSA-N 375.302 4.916 0 40 GJAB O=C(NC12CC3CC(CC(C3)C1)C2)C1C[C@@H]2CC[C@H](C1)C21SCCS1 14251661 KCGAKGIGYAOZGE-PVJWCDSSSA-N 377.619 4.684 0 40 GJAB COc1ccc([C@@H]2CC(=O)Nc3ccsc32)cc1OCc1ccccc1F 15082684 UCFNBGRROVNIBU-HNNXBMFYSA-N 383.444 4.949 0 40 GJAB CCCCNC(=S)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 15516801 DEYWPTRYFUTMNP-UHFFFAOYSA-N 384.574 4.707 0 40 GJAB C[C@@H](Oc1cc(Cl)ccc1Cl)c1nn2c(=O)c3ccccc3nc2s1 17080065 LRFLMUADMBSMNK-SECBINFHSA-N 392.267 4.751 0 40 GJAB C[C@@H]1CCC[C@H](N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)C1 19841866 RYYHMGASSLYPIG-OFNKIYASSA-N 376.544 4.541 0 40 GJAB Cc1ccc([C@@H](Nc2ccc(Br)cn2)n2nc(C)c(Cl)c2C)o1 22027489 GUVZLGZDIZOFAQ-INIZCTEOSA-N 395.688 4.871 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(C2CC2)nc2ccccc12 24395588 CJDSBBGMNDJSDP-UHFFFAOYSA-N 396.494 4.629 0 40 GJAB O=C(c1ccc2c(c1)OCCCO2)N1CCc2sccc2[C@H]1c1cccs1 24974611 YHKJGPCYFCZOIT-FQEVSTJZSA-N 397.521 4.759 0 40 GJAB CCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)c1 27663876 JORLZVQMUWWNQR-NRFANRHFSA-N 386.923 4.696 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)cc1C 27993879 QTNAQJQWFKSBSO-KRWDZBQOSA-N 380.513 4.553 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C2CC2)c1C 32604068 VRQQCCSKAOECMW-UHFFFAOYSA-N 396.491 4.767 0 40 GJAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)C3CCCCC3)n2)cc1 32744862 OXZPIPQLHSBBKW-AWEZNQCLSA-N 386.517 4.823 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1C 32808964 AVYWNVJNFWEMIG-HNNXBMFYSA-N 396.487 4.949 0 40 GJAB Cc1ccc(-c2nn(CC(=O)NC3CC3)c(-c3ccc(C)cc3)c2Cl)cc1 36611626 HIEWVZIMLSWUAR-UHFFFAOYSA-N 379.891 4.766 0 40 GJAB O=C(c1ccc(I)cc1)c1cc(Cl)cc(Cl)c1 36941485 YCWWFCJJAJVPGJ-UHFFFAOYSA-N 377.008 4.829 0 40 GJAB O=C(Oc1ccc(Cl)c2ccccc12)[C@@H]1CCCN(C(=O)c2ccoc2)C1 37170388 STPPSYPGXZWKGP-CQSZACIVSA-N 383.831 4.544 0 40 GJAB CC(=O)c1c(C)cc(C)c(CNc2cc(Cl)ccc2N2CCOCC2)c1C 48300666 VATLKPHGABIJMX-UHFFFAOYSA-N 386.923 4.917 0 40 GJAB Cc1ccc(-c2csc(-c3nnn(-c4ccc(Cl)cc4)c3N)n2)c(C)c1 48989314 CKJAVZCJZMCNLF-UHFFFAOYSA-N 381.892 4.910 0 40 GJAB CC(C)c1ccc2oc(=O)cc(CN3CCN(c4cccc(Cl)c4)CC3)c2c1 54106041 RBMDMUOFGINFAR-UHFFFAOYSA-N 396.918 4.892 0 40 GJAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccs3)ccc21 65322223 NVSCQGQEMOTRKX-UHFFFAOYSA-N 382.533 4.746 0 40 GJAB CC[C@@H]1CCCCN1c1cc(SCC(=O)Nc2cccc(C)c2C)ncn1 67255870 GZTXJLVLNDTGED-QGZVFWFLSA-N 384.549 4.593 0 40 GJAB Cc1ccc([C@@H](C)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)s1 72311361 UTYTYECNYHGVDM-OAHLLOKOSA-N 376.953 4.594 0 40 GJAB CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)cc1F 79023179 LZPPPJSKGBUKHX-IBGZPJMESA-N 383.467 4.537 0 40 GJAB Cc1cccc2nc(C(=O)N(Cc3cccs3)c3ccc(F)cc3F)cn12 89689070 HVNKHFRRUZIKQR-UHFFFAOYSA-N 383.423 4.829 0 40 GJAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1c(F)cccc1Cl 90613568 CYDJVTANGLZWJE-INIZCTEOSA-N 381.881 4.614 0 40 GJAB CO[C@@H]1CCN(c2ccc(NC(=O)CCc3c(Cl)cccc3Cl)cc2)C1 96122245 XMXIRLVCNMSJNI-MRXNPFEDSA-N 393.314 4.790 0 40 GJAB Cc1ccc(-c2cs/c(=N/c3cccnc3)n2CCCn2ccnc2)cc1C 102522898 MPCUQHIXOGXGKI-YYDJUVGSSA-N 389.528 4.748 0 40 GJAB Cc1cccc([C@H]2CC3=Nc4ncnn4[C@@H](c4cc(F)cc(F)c4)C3=C(O)C2)c1 102711847 ZVBHQDYEAMGLJX-QKKBWIMNSA-N 392.409 4.930 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC(C)C 222918362 WAWBNUUDWQNVGJ-NRFANRHFSA-N 396.531 4.918 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)c(I)c1 225021158 SQBDROVDXYRJPN-UHFFFAOYSA-N 395.240 4.639 0 40 GJAB Cc1cccc([C@@H](NC(=S)Nc2ccc3c(c2)OCO3)c2ccccc2)c1 225698782 YTGOCYMLTKNCBK-NRFANRHFSA-N 376.481 4.800 0 40 GJAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C(=O)OC 225760801 FHWCHOHPINOUHG-UHFFFAOYSA-N 399.462 4.852 0 40 GJAB COc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1OC 225808364 VSPYENDYMUZFIB-UHFFFAOYSA-N 380.513 4.776 0 40 GJAB O=C(Nc1cccc(F)c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408699814 ZNDSAANGXVDUEN-UHFFFAOYSA-N 394.356 4.604 0 40 GJAB CC(C)[C@@H]1C[C@H](c2ccc(F)cc2)CO[C@H]1c1cccc(OCC(=O)N(C)C)c1 585292593 KWOLCQQEDYCDLI-APTRMMRNSA-N 399.506 4.810 0 40 GJAB CC[C@@H](NC(=O)Nc1nc(Cc2ccc(F)cc2)no1)c1cccc(Cl)c1 1670489595 BYZYAECHOMIBCK-MRXNPFEDSA-N 388.830 4.726 0 40 GJAB COc1ccc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C)c(OC)c1 902909 CQCFPFKVDZWDRH-UHFFFAOYSA-N 396.512 4.908 0 40 GJAB COc1ccc(CSc2nnc(SCC(=O)c3ccccc3)s2)cc1 1293623 JIDRPQMHQZIFRL-UHFFFAOYSA-N 388.539 4.814 0 40 GJAB Cc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC=O)n2)cc1 1405014 GKUIVBHZINAZJN-UHFFFAOYSA-N 378.432 4.679 0 40 GJAB COc1ccc(CN(CC[C@@H](C(C)C)[C@@H]2CCOC(C)(C)C2)C(C)=O)cc1 2100274 SIEFQYYABPFRTB-IRLDBZIGSA-N 375.553 4.911 0 40 GJAB biogenic O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1F 3231723 GOPIRPPSNSYAGR-UHFFFAOYSA-N 390.625 4.510 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nn(-c2ccccc2)c(=S)s1 3417203 NEORUUQCZWUMTG-CYBMUJFWSA-N 399.566 4.733 0 40 GJAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)c3ccncc3)C3CCCCC3)cc12 4231043 FLMDWDKBARZZOZ-UHFFFAOYSA-N 389.499 4.515 0 40 GJAB Cc1cccc2sc(N(CCCN(C)C)C(=O)CCc3ccccc3)nc12 4359713 GIYGBHMNMCHJIT-UHFFFAOYSA-N 381.545 4.522 0 40 GJAB Fc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)C2CCCC2)cc1 4861856 IYJSODIUDPYKPZ-UHFFFAOYSA-N 382.508 4.886 0 40 GJAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccccn2)N1 5447006 FOQUXPJUOFOZQB-FQEVSTJZSA-N 384.464 4.614 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C)s2)cc1C 5624089 RJNBAQZVICYUHM-UHFFFAOYSA-N 384.530 4.938 0 40 GJAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)[nH]1 6356400 JZNQTKDIIVMULR-UHFFFAOYSA-N 386.908 4.727 0 40 GJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)cc1 6752966 OLJFYTHJRGCGHJ-FQEVSTJZSA-N 381.863 4.781 0 40 GJAB Cc1ccc([C@@H](NS(=O)(=O)c2ccccc2Cl)c2cccs2)cc1 7702475 BQDIYZSWJHNVTE-GOSISDBHSA-N 377.918 4.778 0 40 GJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 7882112 QYOHMWQUGXFKGK-TZMCWYRMSA-N 377.271 4.542 0 40 GJAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c1OC 7884023 ZXQWVVRYWJCTDG-QHCPKHFHSA-N 388.467 4.779 0 40 GJAB Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)c3cccs3)cc2)c(C)c1 8097525 JMDFXFGJPKVDJF-UHFFFAOYSA-N 378.497 4.889 0 40 GJAB CCCCCn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 8625535 IDHGDPMRAUBVJG-QGZVFWFLSA-N 377.488 4.756 0 40 GJAB Cc1ccc2cc(COC(=O)/C=C/c3ccc4c(c3)OCO4)c(Cl)nc2c1 9050028 NRNZUKQRMGHHGR-QPJJXVBHSA-N 381.815 4.682 0 40 GJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2ccccc2)cs1 10402971 RCSHQYSBZPXIJA-UHFFFAOYSA-N 377.473 4.696 0 40 GJAB COc1cc(CN2CCC(O)(c3ccc(F)cc3)CC2)ccc1OC1CCCC1 12363595 NMDKBOCILLXMHN-UHFFFAOYSA-N 399.506 4.639 0 40 GJAB FC(F)Oc1ccc(CNCc2ccc(-n3cnc4ccccc43)cc2)cc1 12506078 BFSOFTBUGDGPGE-UHFFFAOYSA-N 379.410 4.917 0 40 GJAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(Cl)cc2Cl)no1 12930758 VIXPLRSGPHMZMP-UHFFFAOYSA-N 378.215 4.516 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1nc(-c3ccco3)sc1C)O[C@H](C)C2 13005978 XBRBSTDQXGMHBV-LLVKDONJSA-N 384.457 4.686 0 40 GJAB COc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 13495023 SZZSHHXRGXTOGT-AWEZNQCLSA-N 379.460 4.534 0 40 GJAB O=C(CSCc1ccc(Br)cc1)N1CCCc2ccccc21 13674441 SLNYPGNXAUVRAL-UHFFFAOYSA-N 376.319 4.662 0 40 GJAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)cc1 13944071 WMFAKEUCRDKTMV-UHFFFAOYSA-N 378.859 4.831 0 40 GJAB O=C(CSc1nnc(C2CC2)o1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 14244599 WBIHFRWZMAAFLI-SFHVURJKSA-N 399.903 4.598 0 40 GJAB COc1cccc(C(=O)c2oc3ccc(NC(=O)c4cccnc4)cc3c2C)c1 15729457 GWYIJRZOGOBFGW-UHFFFAOYSA-N 386.407 4.628 0 40 GJAB COc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccc(C)c(C)c4)c3ncn2n1 15842348 UAOFMGIUXUEUHD-UHFFFAOYSA-N 397.482 4.977 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@H]32)C1 16890125 BQIBBYLXJDSLIR-NUDIJZITSA-N 376.537 4.893 0 40 GJAB COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1-c1ccc(CO)o1 20145080 GSMBHXUXPUFADZ-NYYWCZLTSA-N 383.831 4.753 0 40 GJAB O=C(CSCc1ccccc1Br)NCCSc1ccccc1 20238154 XAEBLGCUNABPOA-UHFFFAOYSA-N 396.375 4.591 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1)c1cccs1 20509625 FBBZRRPBIMXPAJ-KRWDZBQOSA-N 395.871 4.971 0 40 GJAB Cn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(=O)c2ccccc21 22234145 OODLMGBPTSYXAI-UHFFFAOYSA-N 381.646 4.751 0 40 GJAB O=c1c2ccccc2sn1CN1CCCC[C@@H]1c1nc2ccccc2s1 23882176 GSVCOPTWXCENET-MRXNPFEDSA-N 381.526 4.857 0 40 GJAB CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1 28291104 HIMDQOAUWOCHAQ-UHFFFAOYSA-N 380.875 4.910 0 40 GJAB CCOc1ccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)sc2=S)cc1 28467669 UEKRRXSMLYFCLQ-ZDUSSCGKSA-N 399.541 4.740 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)N2CCC(c3ccccc3)CC2)no1 32366819 YKOYMJYQJHHAPX-UHFFFAOYSA-N 393.512 4.690 0 40 GJAB O=C(NCc1csc(-c2ccccc2)n1)c1cc(-c2cccc(F)c2)no1 32926794 VOBUYCDYVBWABS-UHFFFAOYSA-N 379.416 4.534 0 40 GJAB Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccccc2)n1 33325008 FVBYFKAFXWSFPK-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCC[C@H](C)C3)c12 36615843 FVGSKFZVRVOHMR-INIZCTEOSA-N 388.515 4.538 0 40 GJAB Cc1ccc(CN(C)C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c(C)c1 44141975 NCVFMWDAGDVDDE-UHFFFAOYSA-N 379.504 4.512 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccccc2C)ccc1Cl 44948721 ZFOIZSICMUQRFP-KRWDZBQOSA-N 375.852 4.621 0 40 GJAB C[C@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2C(F)(F)F)o1 58791423 AJNGRYTXNMCFSY-WFASDCNBSA-N 399.434 4.775 0 40 GJAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCCC2)c(OC)c1 71286929 BJQDEHIZSHTNJO-SFHVURJKSA-N 387.505 4.997 0 40 GJAB O=C(N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1)c1cc(Cl)cc(Cl)c1 78733226 NWJAJDFGKZPBTE-RTBURBONSA-N 386.282 4.849 0 40 GJAB C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)C1CCC(c2ccccc2)CC1 95963129 JGUATIQFKBNMIC-RLWYZZJKSA-N 383.557 4.917 0 40 GJAB CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21 96052607 XJDJPHZXJZDTBJ-GOSISDBHSA-N 382.573 4.684 0 40 GJAB C/C1=C\CC[C@]2(C)O[C@@H]2[C@H](O)[C@H](C(C)C)[C@H](OC(=O)/C=C/c2ccccc2)C1 100059884 JBAYXBWJNDAHDZ-DXAOZSIRSA-N 384.516 4.532 0 40 GJAB biogenic,in-vitro CN(Cc1coc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108064408 NGAGYLHIGIGWBX-WBVHZDCISA-N 395.311 4.800 0 40 GJAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@]2(C)C1 118930415 UKIIXHVIHAJCMP-YRSLNNHCSA-N 388.548 4.735 0 40 GJAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206876448 UZDZWXBFHDYGQC-NRFANRHFSA-N 393.918 4.995 0 40 GJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219291112 YONNJNGOJMKPIB-OAHLLOKOSA-N 379.843 4.977 0 40 GJAB C[C@@H](CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 223415322 XTCWMGJXGKXNPS-FQEVSTJZSA-N 384.523 4.778 0 40 GJAB CCOc1ccccc1CCCNC(=S)Nc1cccc(Br)c1 225395149 MCGSPXLLMOZFCD-UHFFFAOYSA-N 393.350 4.767 0 40 GJAB O=C(Nc1ccccc1Cl)c1snnc1-c1ccc(Br)cc1 225783409 DQYQZBDUVSSRRW-UHFFFAOYSA-N 394.681 4.873 0 40 GJAB CC(C)(C)c1ccc(O)c(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 257234635 GULUQRRBNCQIAP-UHFFFAOYSA-N 380.532 4.606 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(C)cc2)cc1 408698414 NONMHFCZQLLXDG-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O 409244277 ANWVAFYGERORGL-XSFVSMFZSA-N 397.496 4.647 0 40 GJAB COc1c(C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)ccnc1F 1126102573 RMXPXRGKKFLXCL-UHFFFAOYSA-N 389.386 4.822 0 40 GJAB Cc1ccnc(C2CCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)CC2)n1 1848353659 HRFRFMBNHOCCCN-UHFFFAOYSA-N 387.483 4.530 0 40 GJAB COc1cccc(CSc2nnc3c4c5c(sc4ncn23)CCCC5)c1 928391 JVIIQTUXTUCSBF-UHFFFAOYSA-N 382.514 4.519 0 40 GJAB COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 1778278 SHISHHSCPJYWMZ-UHFFFAOYSA-N 382.485 4.925 0 40 GJAB CCCCc1nnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)s1 1903811 FHQQRZUNTXLZFE-UHFFFAOYSA-N 388.320 4.985 0 40 GJAB CCCCCCc1cc2cc(-c3csc(NC(C)=O)n3)c(=O)oc2cc1O 3077971 XUNNWOAXESUQDF-UHFFFAOYSA-N 386.473 4.703 0 40 GJAB O=c1c2ccccc2nc(-c2ccc(F)cc2)n1-c1ccc(Br)cc1 3114477 MSLOPNFKUKZISY-UHFFFAOYSA-N 395.231 4.954 0 40 GJAB Cc1nc2ccccc2nc1CSc1nnc(C2CC2)n1Cc1ccccc1 3408978 RIAFZCSJJKDOHA-UHFFFAOYSA-N 387.512 4.748 0 40 GJAB OC1=N[C@@H](c2ccccc2F)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 3647456 FDZIEOFCTPCQMG-HXUWFJFHSA-N 393.487 4.874 0 40 GJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Br)s1 4135331 CDADBDZNGWQUQB-UHFFFAOYSA-N 394.246 4.686 0 40 GJAB CCOc1ccc2nc(N3CCN(c4nc5ccccc5s4)CC3)sc2c1 4137865 JDAOXDLMMDGIOP-UHFFFAOYSA-N 396.541 4.631 0 40 GJAB O=C(Nc1nc2ccc(Cl)cc2s1)c1c(F)c(F)c(F)c(F)c1F 5678129 GLWVTWKCOIBXAD-UHFFFAOYSA-N 378.709 4.898 0 40 GJAB COc1cccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)c1 6706694 HASQUYOUCGYHSX-PXLXIMEGSA-N 398.462 4.952 0 40 GJAB C[C@H]1CCc2sc(-c3nnc(SCc4nnsc4Cl)o3)cc2C1 9882189 PPVQSLVZVREYGN-ZETCQYMHSA-N 384.939 4.720 0 40 GJAB COc1cc(NC(=O)CSCc2ccc(Cl)cc2)c(OC)cc1Cl 10947923 HPTFLQBYNBLBJO-UHFFFAOYSA-N 386.300 4.883 0 40 GJAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1F 11339626 PYTGOOIVONBYPR-UHFFFAOYSA-N 385.442 4.668 0 40 GJAB O=C(Nc1nonc1-c1ccc(Br)cc1)c1cccc2ccccc12 11917320 GAPAJYKPAKLETE-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB O=C(Cc1ccc(Cl)cc1Cl)N1CCC(c2cc3cccnc3[nH]2)CC1 12133459 DYFOVCUVWQWKBU-UHFFFAOYSA-N 388.298 4.818 0 40 GJAB O=C(Cc1cn2ccccc2n1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 12541171 PVIPUVOKBKYBRR-UHFFFAOYSA-N 388.496 4.518 0 40 GJAB O=C(Cc1csc(-c2ccccn2)n1)Nc1nc(-c2cccs2)cs1 14634709 YNOMUDLYHHNMEV-UHFFFAOYSA-N 384.511 4.571 0 40 GJAB COc1ccc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)cc1 14706109 JYEUKCWGIGDBIV-UHFFFAOYSA-N 380.517 4.559 0 40 GJAB O=C(CSc1nc2ccccc2s1)OCc1cc(-c2ccccc2)on1 19038647 PIHNQPSSGKHAJW-UHFFFAOYSA-N 382.466 4.787 0 40 GJAB CC1=C(C(=O)OC2CCCCC2)C(C)C(C(=O)OC2CCCCC2)=C(C)N1 19911316 UELUNESQJOJSKB-UHFFFAOYSA-N 375.509 4.526 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)sc2c1CCC2 20242019 KBEUEQKHIFRYQV-CYBMUJFWSA-N 389.542 4.841 0 40 GJAB CC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 20482114 GPKAJSDAPGFTQR-OAHLLOKOSA-N 382.685 4.749 0 40 GJAB O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1cccnc1 22927678 CHDXNQNSGYHXHK-OAQYLSRUSA-N 382.916 4.874 0 40 GJAB COc1ccc(CCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1OC 25322165 HXSFWVOILOTHHM-UHFFFAOYSA-N 386.448 4.538 0 40 GJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1cc(C)cc(C)c1 31903353 FSVWAOFZGRCIKR-JOCHJYFZSA-N 391.515 4.806 0 40 GJAB O=C(NCc1ccccc1Cn1ccnc1)c1cc2c(s1)CCCCCC2 32860014 ABMXGSZDPSAMEQ-UHFFFAOYSA-N 379.529 4.582 0 40 GJAB Cc1nc(C2CC2)nc2sc(C(=O)N(Cc3ccccn3)C(C)C)c(C)c12 40155227 BCGKVGBRWOAKLT-UHFFFAOYSA-N 380.517 4.631 0 40 GJAB CCCCc1cc(C(=O)OCC(=O)c2cccc(OC)c2)c2ccccc2n1 41125363 GLZIEBGPAKHXKH-UHFFFAOYSA-N 377.440 4.626 0 40 GJAB CCOCc1ccccc1CNC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 46891821 WWDQOVBRYQTSRY-UHFFFAOYSA-N 380.410 4.584 0 40 GJAB O=C(CN1CCCC[C@@H]1c1nc2ccccc2s1)NCCC1=CCCCC1 58160804 SBEOMOKTUZJPCE-LJQANCHMSA-N 383.561 4.830 0 40 GJAB C[C@@H]1CN(c2ccccc2NC(=O)NC2(c3ccccc3)CCC2)C[C@@H](C)O1 63160229 CGORSCJPOGANKN-QZTJIDSGSA-N 379.504 4.501 0 40 GJAB COC(=O)c1cc(OCc2cccc(C(F)(F)F)c2)c2cc(F)ccc2n1 65033355 DJLDAIJXGJAMQJ-UHFFFAOYSA-N 379.309 4.758 0 40 GJAB CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2nc3ccccc3s2)n1 71862773 LREMCKKYQIUZMI-UHFFFAOYSA-N 378.457 4.896 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359713 KXDUEXQZVKQJQT-OAHLLOKOSA-N 398.919 4.582 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2nc(C)sc2-c2ccccc2Cl)c1 95477705 LUSPNVRKWJBLIN-UHFFFAOYSA-N 385.876 4.983 0 40 GJAB CN(Cc1cc(Cl)nc(Cl)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95954911 KTTXLQBMHDBRTG-XJKSGUPXSA-N 392.113 4.785 0 40 GJAB CCc1ccccc1NC(=S)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423210 CDLIFSLWWPCFIG-SFTDATJTSA-N 379.573 4.731 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 100471133 WQQWVBYKBCAENQ-KQTLUZQSSA-N 375.534 4.813 0 40 GJAB COc1ccc(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)cc1OC(C)C 100765778 AXKHCVZFKKORAV-RTBURBONSA-N 399.506 4.636 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccccc1F 222965299 XEZSKPXGCUFWIN-LJQANCHMSA-N 375.509 4.650 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 223004317 IBDQHVKUXBGWIA-QGZVFWFLSA-N 399.516 4.621 0 40 GJAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1)CCCC2 223227546 CVXCMCTXKCSUFY-UHFFFAOYSA-N 386.300 4.682 0 40 GJAB O=C(CCCOc1ccc(Cl)cc1)NCCOc1ccc2ccccc2c1 223609862 LOVWQJDKCRHZRX-UHFFFAOYSA-N 383.875 4.847 0 40 GJAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C 223952371 TUCLEQONQMPVOV-UHFFFAOYSA-N 378.516 4.937 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCN2c3ccccc3C[C@@H]2C)c1 225310065 VRTGKSAWLCRDLE-PMACEKPBSA-N 394.559 4.843 0 40 GJAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(Br)c1 225634573 HWOUCQOAMTUTEG-CYBMUJFWSA-N 379.323 4.511 0 40 GJAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)COC)c(Cl)c2)CCCCC1 225658594 DXKGKSVAZFMNJH-HNNXBMFYSA-N 383.916 4.822 0 40 GJAB CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccccc1C 225758026 CPZJWROUPBPCNR-QGZVFWFLSA-N 376.909 4.873 0 40 GJAB C[C@@H](NC(=O)CCc1nc(-c2cccc3ccccc23)no1)c1ccc(F)cc1 225830356 DRVCMLFJPDBWTF-OAHLLOKOSA-N 389.430 4.839 0 40 GJAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)[C@H]4C[C@H]4C)C3)noc2n1 253608359 ZRGAOEZCXMXCAC-UPJWGTAASA-N 395.425 4.727 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC(C)C)c(OC)c3)N21 260775210 PTOQCHSLXDYLBA-HBGVWJBISA-N 397.544 4.857 0 40 GJAB CCCC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 408619986 FUPAXLRQKFIQLG-UHFFFAOYSA-N 381.259 4.993 0 40 GJAB CCOC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 408732833 ZUVSZFZTEZAGMO-SXGWCWSVSA-N 390.222 4.515 0 40 GJAB CO[C@@H](C(=O)NCCSCc1ccc(Cl)cc1Cl)c1ccccc1 408921676 UKNAAAYAFLBCLW-QGZVFWFLSA-N 384.328 4.731 0 40 GJAB CC(C)NC(=O)[C@@]12CC[C@@](C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C 703814 OXCXQTMZFZLXBR-VQTJNVASSA-N 392.330 4.790 0 40 GJAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 940012 QVQAUTOMDLNHHT-OAHLLOKOSA-N 382.412 4.533 0 40 GJAB CCOC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CC[C@@H](C(C)(C)C)C2 996176 JDVMNQLTEAELRP-SECBINFHSA-N 377.428 4.577 0 40 GJAB Cc1cc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2c2ccccc12 1221460 RBVULJRBJAMYOZ-UHFFFAOYSA-N 382.876 4.575 0 40 GJAB O=c1c2ccccc2nc(-c2ccccc2F)n1-c1ccc(Br)cc1 2801355 LBWHXQDLCFZTEK-UHFFFAOYSA-N 395.231 4.954 0 40 GJAB CCCSc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)cc1 3134487 XMSQFRXUOKQEOP-UHFFFAOYSA-N 399.903 4.640 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc4c(c3)OCO4)cccc2c1=O 3426042 NUPJHPKQUCCAIX-UHFFFAOYSA-N 399.402 4.749 0 40 GJAB CC(=O)c1sc(NC(=O)c2nc3ccccc3s2)nc1-c1ccccc1 4070039 JFKULRBULBTMNF-UHFFFAOYSA-N 379.466 4.875 0 40 GJAB O=C(c1cccc(C(F)(F)F)c1)N1CCN=C1SCc1ccc(F)cc1 4119959 XNNRRRDGKWHYOV-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB Cc1cc(C)cc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)c1 4585490 QGMIQYMJSMMNIY-UHFFFAOYSA-N 383.451 4.563 0 40 GJAB CCOc1ccccc1N(CC(=O)c1ccc(Cl)cc1)C1=NCCCS1 4618756 CBUGJIQFFNBLGT-UHFFFAOYSA-N 388.920 4.921 0 40 GJAB CCOc1cccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)c1 5025508 QAMGLRMCLSJOSX-UHFFFAOYSA-N 386.480 4.855 0 40 GJAB CCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1 5311505 HEBMUCVPLNVHSK-UHFFFAOYSA-N 381.545 4.843 0 40 GJAB CC/C(NCc1ccccc1Cl)=C1/N=C(c2ccc(Cl)cc2)OC1=O 6159925 KYDAOYRLSYXCKC-MSUUIHNZSA-N 375.255 4.708 0 40 GJAB COc1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1 6248559 XNZOEEMUVUXUJT-UHFFFAOYSA-N 398.418 4.891 0 40 GJAB CCOc1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1 6630824 QUQVXXHCQHKCRP-UHFFFAOYSA-N 390.439 4.624 0 40 GJAB CCOc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1 7370038 MWKOHILNARBVKG-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB Cc1cc(CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)no1 7371190 QXUQGCUSSBLPGJ-UHFFFAOYSA-N 397.891 4.880 0 40 GJAB S=c1[nH]ncn1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 7602595 XJODTVWMNQHINM-UHFFFAOYSA-N 381.288 4.570 0 40 GJAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C(C)C)cc4)c3)nn12 8071434 LEORSQSTGSMXFT-UHFFFAOYSA-N 391.500 4.791 0 40 GJAB O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 8266376 MEAPJUBYENLHIF-KRWDZBQOSA-N 388.496 4.502 0 40 GJAB Cc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1F 8729278 XUNZIOMCBDZXAE-UHFFFAOYSA-N 393.340 4.774 0 40 GJAB Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2)cc1 9427745 SSCXFZPZRWEFCA-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB Cc1cc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)on1 9606700 WMRWXMZTGPLXIS-UHFFFAOYSA-N 396.447 4.574 0 40 GJAB Cc1cc(C)nc(-n2nc(C)cc2OC(=O)Nc2ccc(Cl)c(Cl)c2)n1 10382255 KOMHPBFNMXCBTE-UHFFFAOYSA-N 392.246 4.505 0 40 GJAB CCOc1ccc(Oc2ccc(NC(=O)CCc3c(C)nn(C)c3C)cc2)cc1 11508378 GNDYMJYJEAHVJS-UHFFFAOYSA-N 393.487 4.799 0 40 GJAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2o1 12515781 BLQUOATVOJUPAZ-OAHLLOKOSA-N 378.476 4.566 0 40 GJAB Cn1ccnc1[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1F 12525451 XEMLRPLIARCIAY-YDYPUGOESA-N 391.490 4.776 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1OC 12528551 MZMAMUHANWDQHQ-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCC2)C1)c1ccccc1Cl 13689303 NFAIOQBFRHFGMF-UHFFFAOYSA-N 394.906 4.700 0 40 GJAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3)Cc3ccco3)oc2c1C 15831322 RQPWLDGDJSRUGE-UHFFFAOYSA-N 387.435 4.845 0 40 GJAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc2ccccc2c1 17080103 BJXARFMFLKVIPH-UHFFFAOYSA-N 392.414 4.893 0 40 GJAB Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(Cc2cccs2)C1 19289300 YDAJKGRVJMQIJE-QGZVFWFLSA-N 384.574 4.549 0 40 GJAB O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20137140 AOCLQAWFTOWHIJ-UHFFFAOYSA-N 376.239 4.927 0 40 GJAB Cc1ccc(-c2n[nH]c(SCc3cc(=O)c4c(C)ccc(C)c4[nH]3)n2)cc1 21098880 GHVLWZZOLIVUAD-UHFFFAOYSA-N 376.485 4.531 0 40 GJAB CC(C)CCNC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)cc1 21361803 FSFJQFBCBPLWLC-UHFFFAOYSA-N 383.879 4.850 0 40 GJAB Cc1ccc(-n2ncc(C(=O)N(C)Cc3ccsc3)c2C(F)(F)F)cc1 22991043 ZKMWZRODUUDHBR-UHFFFAOYSA-N 379.407 4.533 0 40 GJAB CC(C)CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1nnc(-c2cccnc2)s1 35314953 WCUYYHHSCYMDRB-UHFFFAOYSA-N 396.560 4.806 0 40 GJAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NC1CCCCC1 36182088 NJRNSNVMAXKNDI-UHFFFAOYSA-N 377.513 4.864 0 40 GJAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2OC(C)C)c1 36365442 SZKZVCHOVDTIES-GOSISDBHSA-N 377.444 4.792 0 40 GJAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc2cc(Cl)ccc2[nH]1 40059594 IKSQCQJJJPWPPS-UHFFFAOYSA-N 381.863 4.700 0 40 GJAB CCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073561 XVLYZHDXZHVRGT-SFHVURJKSA-N 391.298 4.799 0 40 GJAB Cc1csc(NC(=O)c2ccc(COc3cccc(Br)c3)o2)n1 40140204 QIACSUGDCTZWKB-UHFFFAOYSA-N 393.262 4.638 0 40 GJAB CCOc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1 40948725 YLFDZJOHWMHZCA-NYYWCZLTSA-N 376.250 4.508 0 40 GJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(C3CC3)[C@H](C)C3CC3)c12 46056216 OJFMEERBRBRAAU-CYBMUJFWSA-N 379.435 4.740 0 40 GJAB C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccc(OCc2ccccn2)c1 48374348 JOHSEWYHGZYDLA-KRWDZBQOSA-N 385.467 4.562 0 40 GJAB O=C(NCCc1ccc2c(c1)CN(C1CCCCC1)CO2)c1ccc(Cl)cc1 57108448 OQRSCBCFEWTQBC-UHFFFAOYSA-N 398.934 4.797 0 40 GJAB COc1ccc2[nH]c(=O)c(CNc3ccc(N4C[C@@H](C)C[C@@H](C)C4)cc3)cc2c1 57718371 JYNXUVWLFSXVJX-CALCHBBNSA-N 391.515 4.631 0 40 GJAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 58394227 QKOUFPSAGPMWPR-UHFFFAOYSA-N 392.406 4.574 0 40 GJAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)cc1 72348992 OXVVBYIXFSNRGX-OAQYLSRUSA-N 386.495 4.706 0 40 GJAB Cc1cccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2C)C3)c1 100426203 DFVSUUHSRVHVTD-NHCUHLMSSA-N 391.515 4.651 0 40 GJAB COc1cccc2c1O[C@@]1(C)[C@@H](C)[C@H]2NC(=S)N1c1cccc(SC)c1 101390526 POGWQUQWPQMAKK-TUIFFPIZSA-N 386.542 4.598 0 40 GJAB CC(C)CSc1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)s1 222840173 SGJOKFHHFYYXSG-UHFFFAOYSA-N 379.551 4.601 0 40 GJAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1cccc2ccccc12 222861738 FHYJORUGSXDUMN-UHFFFAOYSA-N 380.296 4.766 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1C 222958862 GDYGHXOEMYRMOB-HXUWFJFHSA-N 382.504 4.629 0 40 GJAB COc1ncccc1NC(=S)NCC1(c2cccc(Cl)c2)CCCCC1 224002368 PHIZHUSYFWRTMB-UHFFFAOYSA-N 389.952 4.932 0 40 GJAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C 224396461 UWHROEINNMNWGZ-SFTDATJTSA-N 394.519 4.836 0 40 GJAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 224591071 PTFQZJUQRAPCPG-DLBZAZTESA-N 387.917 4.679 0 40 GJAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)c1 226267314 ONPPDSJEPMGKKQ-UHFFFAOYSA-N 381.520 4.936 0 40 GJAB COc1cc(C)c(C)cc1S(=O)(=O)N[C@H](c1ccsc1)c1cccs1 390826455 LQLGABYKSRDWLA-GOSISDBHSA-N 393.555 4.503 0 40 GJAB O=C(NC1(c2cccs2)CCOCC1)C1c2ccccc2Oc2ccccc21 390828110 OVRFWGQDLRIMGF-UHFFFAOYSA-N 391.492 4.808 0 40 GJAB O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 408563692 OAKBFCJQTIIEQY-RDKGWYLCSA-N 398.506 4.678 0 40 GJAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 408653994 FWFSTQFFGOUEEI-NQIIRXRSSA-N 385.463 4.869 0 40 GJAB COc1cc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)ncn1 1536287771 WRURRLDFKAOYSD-UHFFFAOYSA-N 390.830 4.606 0 40 GJAB CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)CC(C)C 714969 IKMVUXVFPTVUAS-UHFFFAOYSA-N 375.490 4.975 0 40 GJAB CCOc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1OCC 832525 WGGXHAAEQNZBRZ-UHFFFAOYSA-N 389.249 4.964 0 40 GJAB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)OCCN3CCCCC3)cc12 848928 KVTJJGDRQCUHGD-UHFFFAOYSA-N 390.527 4.949 0 40 GJAB Cc1ccc(SCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 948794 LMQIWBBSUKAIOU-UHFFFAOYSA-N 382.510 4.553 0 40 GJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(OC)cc1OC 953633 GFPCAAKJNUGZGQ-UHFFFAOYSA-N 380.444 4.789 0 40 GJAB C[C@H]1C(=O)N(Cc2ccccc2Cl)c2ccccc2N1C(=O)c1ccccc1 1381840 JGZTWWLMJLZSEZ-INIZCTEOSA-N 390.870 4.922 0 40 GJAB Cc1ccc2c(c1)C1=C([C@H](c3ccccc3)O2)[C@H](c2cccs2)N2N=CNC2=N1 2707278 MWQROICGVSRTNC-VXKWHMMOSA-N 398.491 4.861 0 40 GJAB Cc1cc(Cl)ccc1OC(=O)COc1ccc(C(=O)c2ccccc2)cc1 3326800 YSMWPRRNLDNNAO-UHFFFAOYSA-N 380.827 4.864 0 40 GJAB COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 4060799 XOZQFEQVRDICDF-MEBXIBCJSA-N 393.527 4.782 0 40 GJAB biogenic O=Cc1cc(Br)cc(Br)c1OCc1cccc(F)c1 4739241 IZSBTUPTJMPXAT-UHFFFAOYSA-N 388.030 4.742 0 40 GJAB O=C(CSc1nc2cccnc2n1C1CCCCC1)Nc1ccccc1F 4852491 CZIRYPNHGSAVPW-UHFFFAOYSA-N 384.480 4.806 0 40 GJAB Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccccc1Cl 4882527 ICJCIGAYNPCEHB-UHFFFAOYSA-N 396.899 4.532 0 40 GJAB Cc1cc(C)c2nc(N(CCN(C)C)C(=O)CSc3ccccc3)sc2c1 5239658 HQEBKCWZDHHGCL-UHFFFAOYSA-N 399.585 4.600 0 40 GJAB CCc1cccc(CC)c1NC(=O)CSCC(=O)Nc1ccc(Cl)cc1 5463575 WXGVHTCCCYTBNL-UHFFFAOYSA-N 390.936 4.775 0 40 GJAB Cc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 5700617 HZOXKVOQOOFYIU-IBGZPJMESA-N 394.858 4.998 0 40 GJAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1cc(Cl)ccc1Cl 5714733 LLZGZDCXUVVMOP-UHFFFAOYSA-N 388.250 4.871 0 40 GJAB CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(OC(C)C)cc1 6265231 LDAJRIAODYMKGN-ACJLOTCBSA-N 389.521 4.749 0 40 GJAB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)c2C)cc1 6329521 HNKSPWWQZVPACA-ARWAUXBRSA-N 391.515 4.705 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O 6657357 ATJBOASZSOXYTM-SFQUDFHCSA-N 385.441 4.570 0 40 GJAB CN(C)CCCNCC[C@@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 6662239 RBXMWPWASVANNY-ICSRJNTNSA-N 381.004 4.635 0 40 GJAB Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 6719216 YVGAVZNBLJMXNT-UHFFFAOYSA-N 390.439 4.721 0 40 GJAB CCOC(=O)c1c(NC(=O)Cc2coc3cc(C)cc(C)c23)sc2c1CCC2 6809837 VTBBWMNKUTZJKR-UHFFFAOYSA-N 397.496 4.958 0 40 GJAB COc1ccc2nc(SCC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)[nH]c2c1 6974978 ONJSJQHMNRZBCU-UHFFFAOYSA-N 397.500 4.531 0 40 GJAB COc1ccc(-c2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)cc1 7641280 DUSOCESJRGPPHB-UHFFFAOYSA-N 377.469 4.871 0 40 GJAB Cc1cc(NC(=O)COC(=O)c2ccccc2Cl)cc(C)c1Br 8433654 XFYHMMRGQKCMBZ-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB Cc1cc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)no1 8880266 UQQKGQMNIBYLQK-UHFFFAOYSA-N 386.864 4.657 0 40 GJAB COc1ccc2c(C)c(CC(=O)Nc3c(C)cccc3C(C)C)c(=O)oc2c1 9430166 BECMUTXWBXJXFB-UHFFFAOYSA-N 379.456 4.723 0 40 GJAB O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 10372630 MWIKUCQRCNXEEA-IBGZPJMESA-N 388.496 4.518 0 40 GJAB CCCCOc1ccc(-c2nonc2NC(=O)c2cccc(OCC)c2)cc1 11914175 PVTSRHIQTWZBEM-UHFFFAOYSA-N 381.432 4.567 0 40 GJAB COc1ccc(-c2nsc(NC(=O)COc3cc(C)ccc3C(C)C)n2)cc1 12111395 SQEAEGDMCYRRJU-UHFFFAOYSA-N 397.500 4.663 0 40 GJAB Cc1c(Cc2ccccc2)sc(NC(=O)Cc2ccc(Cl)cc2)c1C(N)=O 12137729 HXKHOGCFHDJCMR-UHFFFAOYSA-N 398.915 4.581 0 40 GJAB Cc1nc(N)sc1C(=O)N1CCC(CCc2ccccc2C(F)(F)F)CC1 12222918 APFIHCCYSHWYCN-UHFFFAOYSA-N 397.466 4.538 0 40 GJAB CN1CCN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)CC1 12814483 MBZHNCDJTRCDFH-UHFFFAOYSA-N 392.553 4.839 0 40 GJAB CCOc1ccc([C@H]2CCCN2Cc2cc(=O)oc3cc(OC)ccc23)cc1 12855449 QRIYHDKCPQHHGN-OAQYLSRUSA-N 379.456 4.537 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3ccco3)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 13751257 CAKNUGCQYDCDBV-UHFFFAOYSA-N 386.451 4.893 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 14022514 XTXDQSOQSMYAPW-MRXNPFEDSA-N 387.501 4.518 0 40 GJAB O=C(Nc1cccc(I)c1)c1cc(Cl)cc(Cl)c1 15315668 QWDAUZAYDIWFDM-UHFFFAOYSA-N 392.023 4.850 0 40 GJAB COc1ccccc1NC1=NN=C(c2ccc(NC(=O)C(C)(C)C)cc2)CS1 15405324 XLMPWRHKMJYSQO-UHFFFAOYSA-N 396.516 4.599 0 40 GJAB CN(C)[C@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 16599595 ASUWYEFMGJGPDF-LJQANCHMSA-N 386.586 4.588 0 40 GJAB O=C(c1ccc(N2CCCC2)cc1)N1CCc2sccc2[C@H]1c1ccco1 19342260 RPFWSPFVGQZAPS-NRFANRHFSA-N 378.497 4.729 0 40 GJAB COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1Cl 19908500 ZCPKVCGYNMWJTE-UHFFFAOYSA-N 398.821 4.992 0 40 GJAB COc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1-c1ccc(CO)o1 20142036 BWFMATCIMDAQRY-UHFFFAOYSA-N 395.455 4.735 0 40 GJAB CC(C)(C)c1ccc(O)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1 21006843 WYTDMGIWVHZTJL-UHFFFAOYSA-N 389.879 4.686 0 40 GJAB CCn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c2ccccc21 22234417 QPQPLBGECUMDNF-UHFFFAOYSA-N 394.780 4.946 0 40 GJAB CCn1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c(=O)c2cc(Cl)ccc21 22235008 OILPNXFCOMJNPH-GFCCVEGCSA-N 389.282 4.819 0 40 GJAB Cc1nc(-c2cc(C)n(CC(=O)NCC3(c4ccccc4)CCC3)c2C)cs1 25249206 CHIRZLQKFCKUJF-UHFFFAOYSA-N 393.556 4.775 0 40 GJAB COc1ccc(CN(C(=O)c2ccc(OCC(C)C)cc2)c2ccccn2)cc1 27793967 ZTACJCMNFGQOLG-UHFFFAOYSA-N 390.483 4.972 0 40 GJAB CCOc1cc2c(cc1CSCCC(=O)Nc1ccccc1F)O[C@H](C)C2 32778813 ZSQWTSHTBMJUJO-CQSZACIVSA-N 389.492 4.810 0 40 GJAB Nc1c(Cl)cc(NC(=O)COc2ccccc2C(F)(F)F)cc1Cl 32826584 UEKYQTBKHCJATF-UHFFFAOYSA-N 379.165 4.612 0 40 GJAB Cc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2Br)c(C)c1 32931963 YLCKXGRZAKIVFU-UHFFFAOYSA-N 388.240 4.643 0 40 GJAB O=C(O[C@H](C(=O)NC1CCCCC1)c1ccc2ncccc2c1)c1cccs1 35311514 OYLVJJLGZOZMMK-FQEVSTJZSA-N 394.496 4.643 0 40 GJAB Cc1cc(C)cc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 36394797 PFHYATGKCFPHIV-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Oc1ccc(C2CCN(c3nc(-c4ccncc4)nc4ccccc34)CC2)cc1 40040268 LEWHAJBJSVYTJD-UHFFFAOYSA-N 382.467 4.781 0 40 GJAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1 40119484 MAZKTZSPDFEWIC-UHFFFAOYSA-N 392.565 4.536 0 40 GJAB COc1ccccc1NC(=O)[C@@H](C)SCc1ccc(OC(F)F)c(OC)c1 45090319 DFOTULVUIQOPDP-GFCCVEGCSA-N 397.443 4.566 0 40 GJAB Fc1ccccc1CNc1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2)n1 57761912 PTTDGRXPAMRRNV-UHFFFAOYSA-N 379.826 4.938 0 40 GJAB O=C(CCc1ccc(Br)cc1F)Oc1ccc(-c2ncc[nH]2)cc1 65585057 MMGIQZFDVGBGER-UHFFFAOYSA-N 389.224 4.517 0 40 GJAB CCOc1cc2ncnc(NCc3c(F)cccc3Cl)c2cc1OCC 66354509 CSNJUXBSCBRAOR-UHFFFAOYSA-N 375.831 4.832 0 40 GJAB CNc1ncccc1CN1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72350266 NFRYRFOHNXYCJB-LJQANCHMSA-N 390.506 4.628 0 40 GJAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cccnc3Cl)ccc21 83840090 MVXDERLHUUXFPA-UHFFFAOYSA-N 385.876 4.664 0 40 GJAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1cc2ccccc2oc1=O 96222143 PPSSUHPKHVJOIQ-SFHVURJKSA-N 392.842 4.735 0 40 GJAB biogenic Cc1ccccc1NC(=S)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100213594 VRLCIZMQEFOIJA-UGESXGAOSA-N 381.589 4.587 0 40 GJAB biogenic Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)[nH]2)c1 216027886 KAVSIQXOTVVDCT-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)COc1ccc(OC)cc1 216265558 QEFDTDJZPYIPHF-VGSWGCGISA-N 393.483 4.590 0 40 GJAB O=C(Cc1ccc(Cl)cc1F)NCCSCc1c(F)cccc1Cl 222753318 BWVWEQYVFWBWLW-UHFFFAOYSA-N 390.282 4.864 0 40 GJAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1cccc(C)c1 224381260 XHMHLWVVNDMUJO-UHFFFAOYSA-N 375.468 4.903 0 40 GJAB O=C(Cc1ccc(Cl)cc1F)Nc1nnc(-c2ccc(Cl)cc2)s1 224481530 VAZPOFQKSGUCHA-UHFFFAOYSA-N 382.247 4.832 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccccc2CN2CCCCC2)c1 224850730 MZWRPDSNQMSAGQ-UHFFFAOYSA-N 394.559 4.800 0 40 GJAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](Nc2ccccc2)[C@H]1CC(C)C 257278380 OCAMJTMBZICOHF-FGZHOGPDSA-N 383.536 4.742 0 40 GJAB O=C(NC1CCCCC1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408621486 OFRLUOKHNYACFY-UHFFFAOYSA-N 380.875 4.891 0 40 GJAB S=C(c1ccc(OCCOc2ccc(Cl)cc2)cc1)N1CCCCC1 409196440 VLOXNFFCQDNTHQ-UHFFFAOYSA-N 375.921 4.959 0 40 GJAB CCc1ccc(-c2noc([C@H](C)NC(=O)c3cc(O)c4ccccc4c3)n2)cc1 527457390 OKKGRQRAVZBRIP-AWEZNQCLSA-N 387.439 4.649 0 40 GJAB Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccc(C)nc3)cs2)cc1 585294413 FAEVNBVYLYBFHE-HXUWFJFHSA-N 392.528 4.744 0 40 GJAB Cc1ccc(CCC(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)o1 1615118481 FULVEMVYQIUZRP-SFTDATJTSA-N 384.495 4.708 0 40 GJAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)cc1C 1615155461 HYPYZAWESLUOQV-KNQAVFIVSA-N 380.507 4.962 0 40 GJAB C[C@@]12C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 678432 QLUMTOGTQHGBPT-YQDNHFOKSA-N 383.422 4.612 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2cc(NC(=O)c3cccs3)ccc2C)c1 1330057 JTCPFPDHISHPLG-UHFFFAOYSA-N 396.468 4.578 0 40 GJAB COc1cccc(CC(=O)N(c2nnc(-c3ccccc3C)s2)C(C)C)c1 1345374 XHMYKOMTPORDNX-UHFFFAOYSA-N 381.501 4.506 0 40 GJAB COc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2312409 GQAMZMBHXNGWHC-UHFFFAOYSA-N 397.430 4.950 0 40 GJAB CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c3cc(NC(C)=O)ccc3n2)cc1 2819984 DLJHAFOBTOKAIW-UHFFFAOYSA-N 396.450 4.881 0 40 GJAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c(C)o1 3233088 OQNWTFMORGMFHU-UHFFFAOYSA-N 379.437 4.883 0 40 GJAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1F 4033440 AAPWXPVVACQHHI-SFHVURJKSA-N 385.442 4.744 0 40 GJAB CCOc1ccc(-c2cnc(NCCCc3ccccc3)n2CCOC)cc1 4679233 YVSVQLMWYOOENQ-UHFFFAOYSA-N 379.504 4.640 0 40 GJAB COc1ccccc1NC(=S)N1CCC[C@@H](c2nc3cc(C)c(C)cc3[nH]2)C1 4858921 IUBMKWMBOCTLMD-MRXNPFEDSA-N 394.544 4.765 0 40 GJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)cc3F)c(Cl)c12 4941117 OTTVAPJGYAEGMN-UHFFFAOYSA-N 398.800 4.913 0 40 GJAB Cc1ccc(C)c(Cn2c(CNC(=O)c3cccs3)nc3ccccc32)c1 4943184 FARJRVSTZRTYSL-UHFFFAOYSA-N 375.497 4.693 0 40 GJAB Brc1ccc(CSc2nc3ncc(Br)cc3[nH]2)cc1 5454630 MHKDIIGEKMIAOE-UHFFFAOYSA-N 399.111 4.775 0 40 GJAB N=c1sc(Cc2cccc(C(F)(F)F)c2)cn1CC(=O)c1ccccc1 5555010 ORNZHNGDFGCLDF-UHFFFAOYSA-N 376.403 4.522 0 40 GJAB COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1-c1ccc(F)cc1 5697007 PCMSJSYHFYPSAU-UHFFFAOYSA-N 399.443 4.910 0 40 GJAB Cc1ccc(NC(=O)Nc2ncc(Br)cc2Br)cc1 6275998 IMWLDWSNXUIDOH-UHFFFAOYSA-N 385.059 4.559 0 40 GJAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 6440781 LEGNSJIDAPOLIC-DZGCQCFKSA-N 377.510 4.974 0 40 GJAB CCNC(=O)c1c(NC(=O)Cc2coc3ccc(C)cc23)sc2c1CCCC2 6809797 FRJAAPAJJIYHSY-UHFFFAOYSA-N 396.512 4.612 0 40 GJAB COc1ccc(CN(C)C(=O)c2ccc(COc3ccccc3)cc2)c(OC)c1 6937321 UQNXNNINSMBXOG-UHFFFAOYSA-N 391.467 4.555 0 40 GJAB COc1ccc(-c2csc3nc(/C=C/c4ccsc4)[nH]c(=O)c23)cc1OC 6953040 BQNGDOODKKXXBJ-ZZXKWVIFSA-N 396.493 4.901 0 40 GJAB C[C@@H](c1nnc(-c2cccs2)o1)N(C)Cc1ccc(Br)cc1 7918072 BOVRCGOOAXMBBR-NSHDSACASA-N 378.295 4.754 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(-c3ccccc3F)o2)N1C[C@H]1CCCO1 8160242 VTCCJGMCBGDOTG-QRQCRPRQSA-N 392.430 4.831 0 40 GJAB COc1ccc(-c2noc(COc3cc(Cl)ccc3Cl)n2)cc1OC 8268874 PQGPICZETZZBMI-UHFFFAOYSA-N 381.215 4.640 0 40 GJAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 9376849 IJSFCZSKMPGRIZ-GOSISDBHSA-N 380.488 4.676 0 40 GJAB COc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 10663198 SKXYPLHMGKQZRX-JPYJTQIMSA-N 375.468 4.677 0 40 GJAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc2oc3ccccc3c2c1 11328991 LXKHTNMDLWWBAJ-UHFFFAOYSA-N 384.395 4.602 0 40 GJAB CN(Cc1ccccc1N1CCCCC1)C(=O)CSc1nc2ccccc2o1 12606281 AXUSNMCTTDNFIA-UHFFFAOYSA-N 395.528 4.569 0 40 GJAB COc1cc(OCc2cnc(Cl)s2)ccc1/C=C1\C(=O)Nc2ccccc21 12951371 WDCNCUMETXPXJU-PXNMLYILSA-N 398.871 4.877 0 40 GJAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nc(C2CC2)n[nH]1 12992333 BFBUITVQXVIZGJ-UHFFFAOYSA-N 377.466 4.505 0 40 GJAB CC(C)n1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 13477773 FYOSNPKGMBQCGF-ZDLGFXPLSA-N 379.847 4.973 0 40 GJAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 13997934 QJRDEBXJIGXAAG-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1cc(OC)c(NC(=O)c2occc2COc2ccccc2)cc1Cl 14051515 IVQCHPRDYVIHHX-UHFFFAOYSA-N 387.819 4.782 0 40 GJAB Cc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](c1cccs1)C3 14607712 GRLDHHKRBTYLJR-ZDUSSCGKSA-N 394.887 4.727 0 40 GJAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 14845969 PKXUKXJMRXOOSD-FQEVSTJZSA-N 397.434 4.657 0 40 GJAB COc1ccc(CCN(C)C(=S)Nc2ccc(Cl)c(Cl)c2)cc1OC 16187896 DCTZRLSKDUEUEO-UHFFFAOYSA-N 399.343 4.882 0 40 GJAB Cc1ccccc1CN(C(=O)Nc1ccccc1)c1nnc2n1CCCCC2 16769805 HWIXUJPJNLUULF-UHFFFAOYSA-N 375.476 4.552 0 40 GJAB NC(=O)c1ccc(CSc2ncnc3sc(-c4ccccc4)cc23)cc1 16804448 MHVMYQTZFPJWNP-UHFFFAOYSA-N 377.494 4.750 0 40 GJAB COc1ccc2nc(C)c(C(=O)N[C@@H](c3ccncc3)c3cccs3)cc2c1 19582579 ZKIZVSFMVFOMRW-NRFANRHFSA-N 389.480 4.528 0 40 GJAB Cc1cc(Cc2ccc(F)cc2)cc(C2CCN(Cc3cnn(C)c3C)CC2)n1 19691702 RBMJMARYOFWKHB-UHFFFAOYSA-N 392.522 4.541 0 40 GJAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cccc(-n4cccn4)c3)c2)n1 19718346 LZCMDURVMYGGNB-UHFFFAOYSA-N 391.862 4.581 0 40 GJAB CCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2C)CC1 21798062 PNOFFHRYYIWKEF-UHFFFAOYSA-N 397.526 4.538 0 40 GJAB COc1cc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc(OC)c1 21935108 SFVRZQHGISJBQL-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB O=C(NCc1ccc(F)cc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 23042617 LMAIUCJXXIXNLZ-UHFFFAOYSA-N 385.442 4.668 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)Nc2c(-c3ccccc3)nc3sccn23)c1 25740166 GVMGEQMVRQPJQV-OAHLLOKOSA-N 377.469 4.777 0 40 GJAB COCc1ccccc1CNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 26389515 NGTKNWNXZLIUGJ-FQEVSTJZSA-N 384.476 4.622 0 40 GJAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cccc4cn[nH]c34)cccc2c1=O 26872997 FVSCJIUOYINHCC-UHFFFAOYSA-N 395.418 4.897 0 40 GJAB CCCc1noc([C@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 27814594 JTOGUDZPMYEMJR-LBPRGKRZSA-N 398.513 4.636 0 40 GJAB O=C(CCC(=O)c1cccs1)NCc1ccccc1COCc1ccccc1 32925104 MRAGEJRMSBTRIK-UHFFFAOYSA-N 393.508 4.744 0 40 GJAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 33634322 SNQCVHPONQORIT-UHFFFAOYSA-N 390.483 4.942 0 40 GJAB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 34366922 CPZAAQIZPWFUCI-UZIGOSACSA-N 388.467 4.674 0 40 GJAB COc1ccccc1CN1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 35446693 AKQAEKYPGHBDNS-AWEZNQCLSA-N 375.394 4.580 0 40 GJAB biogenic,in-vitro C[C@@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)[C@@H]2CCCC[C@H]12 40133850 ZMHKAXHAYPOCNU-NSISKUIASA-N 396.556 4.719 0 40 GJAB OC1=Nc2c(ncn2-c2ccc(OC(F)(F)F)cc2)[C@H](c2cccc(O)c2)C1 40268124 QLJGLZVCMHLDEU-HNNXBMFYSA-N 389.333 4.600 0 40 GJAB COc1ccc(Br)cc1[C@@H]1CC(O)=Nc2c1ncn2-c1ccccc1 40284979 AKFANNAAEHGRQF-HNNXBMFYSA-N 398.260 4.767 0 40 GJAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 58988036 HTNCQIQYMXTEAI-GFCCVEGCSA-N 396.796 4.659 0 40 GJAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 59351472 CBYBLQWQFPKGSU-HUUCEWRRSA-N 376.294 4.711 0 40 GJAB C[C@H](OC(=O)c1cc(Cl)c2c(c1)OCO2)c1nc2ccccc2n1C(F)F 65511863 BPHLYKJATWHTGM-VIFPVBQESA-N 394.761 4.732 0 40 GJAB Cc1nc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)nn1-c1ccc(F)cc1 71924295 JTBYZAAZKZJYIY-JTQLQIEISA-N 393.249 4.513 0 40 GJAB O=C(CSCc1ccccc1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200153 PTGYVFSGJHTHRH-WOJBJXKFSA-N 398.528 4.596 0 40 GJAB O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1cccc(F)c1 79068600 FIZMPDHBHHGLIL-UHFFFAOYSA-N 393.805 4.635 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(C)Cc3csc(Br)c3)n[nH]2)s1 84205714 DUTZDUBFGMELLR-UHFFFAOYSA-N 396.335 4.543 0 40 GJAB C/C(=C\C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl)C1CC1 96298001 VDJRGMYSPOQHOF-JICACKBISA-N 381.303 4.669 0 40 GJAB COc1ccc(/C=C/C(=O)N2CCS[C@@H](c3cc(F)ccc3F)CC2)cc1 219331965 PKZDQZRBLDFOBH-CWFIWJMMSA-N 389.467 4.693 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 222949220 RHONZNLJNCFYLU-GJZGRUSLSA-N 396.379 4.678 0 40 GJAB COc1cc2c(cc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1)CCCC2 223594372 XYWBDSKHPWHUMS-HXUWFJFHSA-N 387.545 4.640 0 40 GJAB CCOc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1Cl 224221714 SOMXNQNUQYGFKO-UHFFFAOYSA-N 393.314 4.663 0 40 GJAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224479818 VIGOPHGTRWDHOA-RTBURBONSA-N 382.920 4.734 0 40 GJAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225206014 SCYLXAAINDNARN-SNVBAGLBSA-N 394.283 4.918 0 40 GJAB COC(=O)c1cc2cc(NC(=S)N[C@H](C)CCc3ccccc3)ccc2s1 225213763 WBHLXHLWLZUAKL-CQSZACIVSA-N 398.553 4.996 0 40 GJAB S=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccc(OC2CCCC2)cc1 225455027 VXNQYUNTUPJBQZ-UHFFFAOYSA-N 392.528 4.680 0 40 GJAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccc(F)cc1F 225828496 UTIIIYUWOFZXEN-UHFFFAOYSA-N 379.366 4.739 0 40 GJAB O=C(N1CCC(c2cnccn2)CC1)C1(c2ccc(Cl)cc2)CCCCC1 257222238 DSMVJSVIEQWNKM-UHFFFAOYSA-N 383.923 4.738 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]3C)CC2)on1 257319684 VTPIZYCPPZFJPB-LEUOFYLZSA-N 396.535 4.609 0 40 GJAB Cc1cc(C)cc(CSCC(=O)N2CCN(c3cccc(C)c3C)CC2)c1 408576119 RSBRIYLLNSOLHX-UHFFFAOYSA-N 382.573 4.502 0 40 GJAB COc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1ccc(F)cc1 408605305 GBFOOYRQKUMUKL-UHFFFAOYSA-N 381.403 4.724 0 40 GJAB COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(C)c1 408622639 QABCBCAUAMFJCL-UHFFFAOYSA-N 399.082 4.781 0 40 GJAB CSc1ccc(CCCC(=O)Nc2ccccc2OCCn2ccnc2)cc1 515303025 QMZNHYGVOXVMNL-UHFFFAOYSA-N 395.528 4.645 0 40 GJAB O=C1CCc2cc(F)c(NC(=O)N3C[C@@H](c4ccccc4)C4(CCC4)C3)cc2N1 562787469 ONXAEOPXAOBFPN-KRWDZBQOSA-N 393.462 4.512 0 40 GJAB C[S@@](=O)Cc1ccccc1NC(=O)N1CC2(CCCC2)c2c(F)cccc21 585138618 OPIGOECOROYZPL-HHHXNRCGSA-N 386.492 4.568 0 40 GJAB CC(C)c1nc([C@@H]2CCCN2c2nc(C(F)F)nc3ccc(F)cc23)no1 647863073 TWGIIDVBOPCDRE-ZDUSSCGKSA-N 377.370 4.554 0 40 GJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)OC)C1 673051 QCVJKZKCIKPGAI-AWEZNQCLSA-N 386.517 4.723 0 40 GJAB Cc1nc(N2CCN(C/C=C/c3ccccc3)CC2)c2oc3ccccc3c2n1 1270072 HYYPCTXDJWTKQK-JXMROGBWSA-N 384.483 4.520 0 40 GJAB Cc1cccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1C 1393720 NACXHTVWSMDDKW-UHFFFAOYSA-N 389.377 4.944 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3csc4c3CCCC4)o2)cc1 1405208 UVTFAUMKCBUWQR-UHFFFAOYSA-N 385.514 4.716 0 40 GJAB CC(C)COP(=O)(OCC(C)C)[C@@H](O)c1ccc(Br)cc1 1769944 WPIYAVAUNGBYJT-OAHLLOKOSA-N 379.231 4.978 0 40 GJAB CCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)s3)o2)c1 2641618 NEZITCHQXPUZNO-UHFFFAOYSA-N 377.853 4.883 0 40 GJAB CC[C@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccccc1 2706279 NUWSJRSUVUVKLS-HNNXBMFYSA-N 385.562 4.857 0 40 GJAB CCOC(=O)c1c(NC(=O)c2c(-c3ccccc3)noc2C)sc2c1CCC2 2745304 GNQOEKKYIFWHAW-UHFFFAOYSA-N 396.468 4.629 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)/C=C/c2ccco2)c2ccccc2)c1 3246983 KAWBOEYPEGCFIX-CHHLAKQQSA-N 375.424 4.833 0 40 GJAB Cc1cccc(-n2c(SC[C@H]3CCCO3)nnc2-c2c[nH]c3ccccc23)c1 3345777 YDLMLIMRQDTNKG-QGZVFWFLSA-N 390.512 4.995 0 40 GJAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(-c2ccccc2)s1 4174485 MBBVIJNQTFQFAG-LLVKDONJSA-N 398.538 4.934 0 40 GJAB C[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)N3CCC[C@H](C)[C@H]3C)cc2)[C@H]1C 4713648 DVMVMYMDLLKZEC-XLAORIBOSA-N 386.540 4.991 0 40 GJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4815079 CCOGLVOYNBKWKG-RTBURBONSA-N 380.879 4.799 0 40 GJAB COc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(F)c2)N(c2ccccc2)C3=O)cc1 4870947 XFWURRJRODEWOG-HSZRJFAPSA-N 399.425 4.974 0 40 GJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc1 5256210 GZHXZUPRKWWBEM-NRFANRHFSA-N 379.435 4.663 0 40 GJAB Cc1c(CC(=O)NC(C)C)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 5351002 LOUQTSJPNWOCHJ-UHFFFAOYSA-N 393.414 4.721 0 40 GJAB COc1cc(-c2nnc(CSc3ccccc3Cl)o2)cc(OC)c1OC 6351713 SXAVIFMBBNGEQR-UHFFFAOYSA-N 392.864 4.708 0 40 GJAB O=C(Cn1cc(C(F)(F)F)ccc1=O)c1c(-c2ccccc2)[nH]c2ccccc12 6580910 IMZILSSIXVFLJH-UHFFFAOYSA-N 396.368 4.898 0 40 GJAB C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cccs1 6657546 BDSGNHUUVZUWSG-MRXNPFEDSA-N 391.496 4.554 0 40 GJAB CC[C@H](C)n1c(SCc2nc(-c3cccs3)no2)nc2ccccc2c1=O 7217367 HZMKIFCKQYBBST-LBPRGKRZSA-N 398.513 4.771 0 40 GJAB CCOc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 7614647 DQQZRBYDSPIBAN-UHFFFAOYSA-N 380.469 4.593 0 40 GJAB O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccccc1N1CCCC1 8166264 IJKNIJAWZVDUPV-UHFFFAOYSA-N 381.479 4.577 0 40 GJAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Br)c1OC 8253576 WSXFVNJJGFQSDL-UHFFFAOYSA-N 394.353 4.915 0 40 GJAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1cnn(-c2ccccc2)n1 9740478 HBDIDEYYMNLCRD-HXOBKFHXSA-N 395.466 4.595 0 40 GJAB CCCCNC(=O)[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 9850299 HCVPVHPBHCITBA-WBVHZDCISA-N 398.956 4.607 0 40 GJAB Cc1occc1-c1nnc(SCC(=O)N(Cc2ccco2)C2=CCCCC2)o1 9870416 UDXRLBPQPOBIEP-UHFFFAOYSA-N 399.472 4.810 0 40 GJAB C[C@@H](SCc1cccc(Cl)c1)C(=O)N1c2ccccc2NC(=O)C1(C)C 10275567 GNQBBBHJBZXUPQ-CYBMUJFWSA-N 388.920 4.726 0 40 GJAB O=C(/C=C/c1ccc2ccccc2n1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10545268 ZXFDTUGAPTYJEB-KAUXGEHWSA-N 382.467 4.531 0 40 GJAB Cc1csc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)n1 10555953 CPUKABYSQCLIEZ-UHFFFAOYSA-N 383.502 4.758 0 40 GJAB Cc1sc2nc([C@@H](C)Nc3ccc(OCC(F)(F)F)cc3)[nH]c(=O)c2c1C 11713147 CILLMMOHRCYFGB-SNVBAGLBSA-N 397.422 4.716 0 40 GJAB CN(C(=O)Nc1cccc(Cl)c1)[C@H](c1ccc(Cl)cc1)c1nccn1C 12551501 JUBRWHRJKODYIM-QGZVFWFLSA-N 389.286 4.980 0 40 GJAB COc1ccccc1[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1nccn1C 12601173 CDFCXGUOMPVHFW-OAHLLOKOSA-N 396.800 4.697 0 40 GJAB Cc1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c(Br)c1 12746091 XVWZUWOVNPNDLG-CYBMUJFWSA-N 388.261 4.760 0 40 GJAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1Cl 12876506 KZXANCYKERZQDY-UHFFFAOYSA-N 395.330 4.655 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(Br)cc2)cc1 12996787 LSUBKAXHQHVEIC-HBYKMFCXSA-N 386.289 4.835 0 40 GJAB Cc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(C)n1C1CC1 14185222 POBPDOCJHGUWGH-UHFFFAOYSA-N 389.503 4.677 0 40 GJAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 14845967 PKXUKXJMRXOOSD-HXUWFJFHSA-N 397.434 4.657 0 40 GJAB CCN(Cc1cccc(C(F)(F)F)c1)Cc1nc(=O)c2ccc(Cl)cc2[nH]1 15451213 NTRFGZZTRZUXFM-UHFFFAOYSA-N 395.812 4.617 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)n1 19659994 RJVNAMKDVAVWLM-HXUWFJFHSA-N 375.472 4.521 0 40 GJAB CC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 20482117 GPKAJSDAPGFTQR-HNNXBMFYSA-N 382.685 4.749 0 40 GJAB Cc1cccc(-n2c(C)nnc2SCc2cc(Cl)c3c(c2)OCCO3)c1 24105573 CLVNMGPXLKPZDB-UHFFFAOYSA-N 387.892 4.601 0 40 GJAB CCc1c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cnn1-c1cccc(Cl)c1 24631203 UKSWZWUXUPNSEW-GFCCVEGCSA-N 385.817 4.503 0 40 GJAB CC(=O)c1ccc(OCc2ccc(C(=O)N[C@H]3CCCc4ccccc43)o2)cc1 27976720 MFLOIIVDYDHVOG-QFIPXVFZSA-N 389.451 4.869 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)c2ccn(COc3ccccc3Cl)n2)c(C)c1 28238998 HQBPVKOTCBSOLM-MRXNPFEDSA-N 383.879 4.681 0 40 GJAB Cc1noc2ncc(C(=O)N[C@@H](c3ccccc3)c3cc4ccccc4o3)cc12 30999395 WYMWKHVEKXRHAH-NRFANRHFSA-N 383.407 4.797 0 40 GJAB CC(=O)Nc1cccc(-n2c(S[C@@H](C)c3ccccc3)nnc2C2CC2)c1 32801734 KUOUTAUODCOTST-AWEZNQCLSA-N 378.501 4.956 0 40 GJAB COc1ccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)c(OC)c1 32902018 ZOKKSSGNPLLTSW-UHFFFAOYSA-N 376.334 4.523 0 40 GJAB O=C(O)[C@@H](Sc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1 39393049 RYGKGPQRLSQSMX-AWEZNQCLSA-N 380.347 4.673 0 40 GJAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2-n2cccn2)cs1 40115038 UUZUNSTWFFQUKJ-UHFFFAOYSA-N 386.480 4.507 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 44837444 NWUBGRQNLNBHNO-UHFFFAOYSA-N 394.631 4.884 0 40 GJAB COc1ccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc23)cc1 49005242 NNUSGXYKRKKYJP-INIZCTEOSA-N 390.487 4.705 0 40 GJAB Cc1ccc([C@H](O)CNC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 58415561 ZCHOCFYKUUWNAR-MRXNPFEDSA-N 394.521 4.797 0 40 GJAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(Cl)cc3cccnc23)cc1 59743404 YFWXPIMPMNZKEM-JXMROGBWSA-N 380.831 4.717 0 40 GJAB CCc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1 64949566 GBIMFYJTIOSZJD-UHFFFAOYSA-N 394.434 4.665 0 40 GJAB O=C(c1cnc2ccc(F)cc2c1NCc1ccccc1F)N1CCCCC1 67288474 PWAYYEIXDWVAOA-UHFFFAOYSA-N 381.426 4.751 0 40 GJAB CCCCNc1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72213637 SOBVUUVEHCNQTJ-HXUWFJFHSA-N 387.549 4.518 0 40 GJAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(Oc2ccncc2)cc1 72284644 ICXIVNRANVOLQW-UHFFFAOYSA-N 384.395 4.709 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCCSCc2ccccc2F)cc1 222893120 GELCUSOWXWLDSM-HXUWFJFHSA-N 375.509 4.595 0 40 GJAB CC[C@@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc2c(c1)CCCC2 223140611 HOOOQKDTCSGRIT-XMMPIXPASA-N 387.527 5.000 0 40 GJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1sccc1C 224554202 XGQLOSBGLFZFOZ-MSOLQXFVSA-N 381.526 4.637 0 40 GJAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C 225572490 LIQGEQHPDITTLQ-QGZVFWFLSA-N 385.479 4.998 0 40 GJAB C[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)[C@@H]1OCCc2sccc21 569013525 DVVGCHWGIZCOJM-GTJPDFRWSA-N 396.487 4.745 0 40 GJAB CN1CCC[C@@H](c2cccc(C(=O)Nc3cc(Cl)c(O)c(Cl)c3)c2)C1 1183101791 IQTPSBBBQHNCIL-CQSZACIVSA-N 379.287 4.761 0 40 GJAB CCCc1nn(C)c(C(=O)Nc2ccc(C(=O)c3ccc(F)cc3)cc2)c1Cl 633099 GJVDYZWGXOPWTF-UHFFFAOYSA-N 399.853 4.648 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)c1ccc(F)cc1 907986 BNJLNRBQHKOFDZ-UHFFFAOYSA-N 379.412 4.841 0 40 GJAB O=C(N[C@@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccccc1 1086645 ADNOQNYPWNRMIF-HXUWFJFHSA-N 398.384 4.756 0 40 GJAB CC(=O)c1cccc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c1 1342887 WWWWJSLBUXJHHO-UHFFFAOYSA-N 375.453 4.795 0 40 GJAB Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1Cl 1377900 YXRVMTSYWONUII-WOJBJXKFSA-N 382.935 4.964 0 40 GJAB CCc1cccc(C)c1N(C(=O)Cn1c(CC)nc2ccccc21)[C@@H](C)COC 1470646 JQMYKPLIETUFDS-SFHVURJKSA-N 393.531 4.538 0 40 GJAB Cc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccccc34)c(C)c2oc1=O 2147516 DHXDWRLQAIODFK-UHFFFAOYSA-N 389.451 4.780 0 40 GJAB biogenic CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1 2460122 UGVNAEDCYYSTBZ-JRSKDTKFSA-N 382.907 4.775 0 40 GJAB COc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1OC(F)F 2651995 AOQVLXLBTSIDJA-UHFFFAOYSA-N 383.394 4.816 0 40 GJAB O=C(OCc1csc(-c2ccccc2)n1)c1cc(O)c2ccccc2c1O 3365018 VEKDMHTYTVBHPI-UHFFFAOYSA-N 377.421 4.732 0 40 GJAB CCc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1 4487800 ZBAKUVAGRGRGFL-UHFFFAOYSA-N 380.469 4.824 0 40 GJAB COc1cccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)c1 4930921 FWUXXROEIBMUDL-UHFFFAOYSA-N 381.432 4.771 0 40 GJAB COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 5235936 BAMFYMPPMHJDPX-CQSZACIVSA-N 383.879 4.800 0 40 GJAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccco1 5323371 LZZQSDSULDFQKJ-UHFFFAOYSA-N 391.404 4.503 0 40 GJAB CCOc1ccccc1[C@H]1SCC(O)=Nc2c1c(O)nn2C(CC)CC 5500869 KBNCACLVDAJWBN-QGZVFWFLSA-N 375.494 4.773 0 40 GJAB COCCC1=NN(c2c(Cl)cc(Cl)cc2Cl)[C@@](O)(C(F)(F)F)C1 5525332 SPJQBIRTWJCYBD-LBPRGKRZSA-N 391.604 4.500 0 40 GJAB COc1ccc([C@@H]2CC(c3sc(Nc4ccc(C)cc4)nc3C)=NN2)cc1 5553258 MMEVDWJRTLDSAD-SFHVURJKSA-N 378.501 4.951 0 40 GJAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccccc1-c1ccccc1 6097676 OLONTQBUIBWJFD-MRXNPFEDSA-N 392.528 4.791 0 40 GJAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 6110465 WQVIKDAPAIXQKC-OAHLLOKOSA-N 380.517 4.820 0 40 GJAB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3N3CCN(C)CC3)o2)cc1C 6256228 SMTDKVWBRVMDHJ-UHFFFAOYSA-N 389.499 4.568 0 40 GJAB CC(=O)c1cccc(OCC(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c1 6607460 WBFXFNKJDWPUGY-UHFFFAOYSA-N 399.450 4.530 0 40 GJAB O=c1[nH]c(CN2CCc3ccccc32)nc2scc(-c3ccc(Cl)cc3)c12 7503662 YSIBLRGEUNAUHT-UHFFFAOYSA-N 393.899 4.868 0 40 GJAB Cc1cccc(N2CCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)c1C 8137479 RUBBTDOPPOXECK-UHFFFAOYSA-N 378.560 4.882 0 40 GJAB CN1C(=O)Cc2cc(-c3csc(-c4ccc(Br)cc4)n3)ccc21 8296882 RQVTXSPLBWYMGQ-UHFFFAOYSA-N 385.286 4.759 0 40 GJAB CC(C)n1ncc2c(C(=O)NCc3cccs3)cc(-c3ccccc3)nc21 8344604 MTYNXMCIMYQZMQ-UHFFFAOYSA-N 376.485 4.671 0 40 GJAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(C)cc2C)cc1 8476437 CYNMVNSWJHNUOL-UHFFFAOYSA-N 388.515 4.922 0 40 GJAB COc1ccc(CCNCc2ccccc2OCc2ccccc2F)cc1OC 8493675 HSLPVXHZGZUFEF-UHFFFAOYSA-N 395.474 4.754 0 40 GJAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(OCC)c3)sc2c1 8903158 BTZZQHZXDWOGLA-UHFFFAOYSA-N 398.484 4.904 0 40 GJAB COC(=O)CCS[C@H]1c2ccccc2C(=O)N1[C@H]1CCCc2ccccc21 8984871 LYOYVIFVFMGDFZ-UGKGYDQZSA-N 381.497 4.515 0 40 GJAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(COc2ccc(F)cc2)o1 9657200 ZEAYAKGPVXEFCV-UHFFFAOYSA-N 395.415 4.769 0 40 GJAB Cc1nc2cc(NC(=O)CCc3ncc(-c4ccc(C)c(C)c4)o3)ccc2o1 9709898 VPPOUJDYVXYCSP-UHFFFAOYSA-N 375.428 4.979 0 40 GJAB CCc1[nH]c2ccc(C(=O)N3CCC(C(C)=O)(c4ccccc4)CC3)cc2c1C 12205655 WEOUTMCRGKUAAA-UHFFFAOYSA-N 388.511 4.802 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c2nc(-c3ccccc3)cc(C(=O)O)c12 12395960 SELAFZSNYCXVOM-UHFFFAOYSA-N 377.831 4.807 0 40 GJAB Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NC3CC3)o2)c1 12419296 MPOSRKWOZQXYCE-UHFFFAOYSA-N 388.876 4.711 0 40 GJAB C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(Br)cc1F 12676990 LJPLCRCQGCJJNV-XIKOKIGWSA-N 391.284 4.656 0 40 GJAB COc1cc(CN(C(=O)Nc2ccccc2F)C2CC2)ccc1OC(F)F 12793851 XHBRXNTWJKJRSU-UHFFFAOYSA-N 380.366 4.632 0 40 GJAB Cc1ccc(CN(C)[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1 12913087 VJSTUMBSQPNXMV-AWEZNQCLSA-N 379.485 4.746 0 40 GJAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OCc1ccc(F)cc1 13928128 MFKJMZHBBYYSDX-MOSHPQCFSA-N 391.373 4.888 0 40 GJAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 13990914 SAKSPRXRCFZGIH-FOCLMDBBSA-N 384.479 4.619 0 40 GJAB Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2c(C)cccc2C)c2ccc(C)o2)cc1 15413534 GBTDRRNZQLYGRP-XMMPIXPASA-N 388.467 4.784 0 40 GJAB COc1ccc(CCC(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)cc1 15637532 BLQMAQVELKUQCO-UHFFFAOYSA-N 382.485 4.707 0 40 GJAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccc(Cl)c2)C4)cc1 20796298 YGIJEFQMXCLELO-MRXNPFEDSA-N 388.858 4.666 0 40 GJAB CCc1ccc2nc(Nc3nc(C)c(Cc4ccccc4C)c(=O)[nH]3)nc(C)c2c1 20798003 VUQNRSFUIHJBTQ-UHFFFAOYSA-N 399.498 4.535 0 40 GJAB COc1ccc(CNC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)cc1 22506659 OYRNNASBEZKTHL-UHFFFAOYSA-N 393.468 4.507 0 40 GJAB O=C(NCC1CCN(Cc2cccs2)CC1)c1cc(Cl)ccc1Cl 23128062 CUDUPOQQABOYRE-UHFFFAOYSA-N 383.344 4.697 0 40 GJAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCC[C@@H]1c1cccs1 23200051 QKJANQXMXKRFFM-GOSISDBHSA-N 381.476 4.539 0 40 GJAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3cccc(Cl)c3C)ccc12 25320014 JXPLVQNCDXTJSN-UHFFFAOYSA-N 385.847 4.725 0 40 GJAB CCOc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 27747334 PNLHGVFZISTKHT-UHFFFAOYSA-N 387.233 4.755 0 40 GJAB Cc1c(Cl)cccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32578623 DKOKCXRPMMZPIS-UHFFFAOYSA-N 385.851 4.839 0 40 GJAB Cc1ccc(Cc2cnc(NC(=O)c3cccnc3S)s2)cc1Cl 32907109 IQSXXYDKQLDMFM-UHFFFAOYSA-N 375.906 4.632 0 40 GJAB CCc1ccc(Nc2nnc(SCC(=O)c3cc(C)n(C)c3C)s2)cc1 32957527 XWRIOFOTUZHUST-UHFFFAOYSA-N 386.546 4.774 0 40 GJAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4cnn(C)c4C)[C@@H](O)[C@@]3(C)CC[C@@H]21 36005153 CYLDEGQGXAFYIQ-TWNZBZIZSA-N 392.543 4.648 0 40 GJAB CN(C)[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 38308505 HXESJOMKFDHHCM-KGLIPLIRSA-N 397.363 4.719 0 40 GJAB O=C(Nc1ccccc1N1CCCC1=O)N[C@@H](c1cccs1)C1CCCC1 40104183 KFZYUMGKKJFLOZ-HXUWFJFHSA-N 383.517 4.928 0 40 GJAB Cc1ccccc1-c1nc2ccc(NC(=O)COc3ccccc3F)cc2o1 41085981 WJNDQXSNBNPHQZ-UHFFFAOYSA-N 376.387 4.960 0 40 GJAB Cc1cccc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)n1 41818387 OAFZPVVBONKIMH-UHFFFAOYSA-N 397.544 4.526 0 40 GJAB COC(=O)c1cc(CNc2nc(-c3cccs3)nc3ccccc23)oc1C 65622947 DELZSJYEOCRFEZ-UHFFFAOYSA-N 379.441 4.658 0 40 GJAB CNc1cc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc(Cl)n1 83884220 AHVAFSCOGFGORZ-UHFFFAOYSA-N 393.299 4.730 0 40 GJAB CC(C)(C)Cc1noc2ncc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc12 84169919 YWBWDVVQVWMCNC-CHWSQXEVSA-N 383.414 4.662 0 40 GJAB Cc1cc(C)cc(OCCc2nnc(NC(=O)c3ccccc3Cl)s2)c1 95116445 XCWTWNZMELIOBX-UHFFFAOYSA-N 387.892 4.682 0 40 GJAB Fc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3Cl)C4)n2)cc1 97086759 QNEVQFWLELGOER-KRWDZBQOSA-N 396.809 4.664 0 40 GJAB C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)N(C)Cc1cccc(F)c1 97555460 NPNMYOMMFAOOEP-MRXNPFEDSA-N 398.478 4.716 0 40 GJAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(Br)cc3)C2=O)c1 214636188 UVBZXZMIZXHHGK-MHWRWJLKSA-N 388.286 4.994 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCSCc2ccccc2C)ccc1Cl 222842614 SPJRIXMSEIXRDT-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 223860674 BEAOIXWMIOLTMI-HOTGVXAUSA-N 385.504 4.646 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224395610 AAXHKFVKFYUOHS-UXHICEINSA-N 394.519 4.954 0 40 GJAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC[C@H]3CCCO3)c2)cc1 225319159 PCCNLQSUVNXJJJ-HXUWFJFHSA-N 396.556 4.681 0 40 GJAB CCC1(CC)C[C@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc2O1 225330992 IOIOUEIMQUPJCW-NRFANRHFSA-N 393.527 4.934 0 40 GJAB CCOc1cc(CNC(=O)CCc2c(Cl)cccc2Cl)ccc1OC 225363083 PWBMQCJSICKMAQ-UHFFFAOYSA-N 382.287 4.650 0 40 GJAB C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 225590533 LDHLGVMOCQKHHW-CYBMUJFWSA-N 393.742 4.639 0 40 GJAB Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1C 408670556 SPEJYWYLDNPXLM-CYBMUJFWSA-N 378.255 4.569 0 40 GJAB COCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 409149234 ZLRWVBPUUDTRMM-DHDCSXOGSA-N 398.267 4.936 0 40 GJAB CC1(C)CCc2ccccc2[C@H](NC(=O)N[C@@H]2COc3cc(F)ccc3C2)C1 1565098796 JEKHGLCATNWGAS-AZUAARDMSA-N 382.479 4.532 0 40 GJAB CCc1nc(N2CCN(C/C=C/c3ccccc3)CC2)c2oc3ccccc3c2n1 1235342 FEWKMDRZCHTMIM-DHZHZOJOSA-N 398.510 4.774 0 40 GJAB CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 1248655 VJMRAHHHXOOKSA-HNNXBMFYSA-N 386.542 4.575 0 40 GJAB Cn1c(-c2ccc(C(F)(F)F)cc2)n[n+]2cc(C(F)(F)F)cc(Cl)c12 2557806 JPLDECUSIQPHSR-UHFFFAOYSA-N 380.699 4.517 0 40 GJAB COc1ccccc1C(=O)N[C@H](Nc1ccccc1C)C(Cl)(Cl)Cl 3014736 VYBIOICNNGVIIQ-INIZCTEOSA-N 387.694 4.542 0 40 GJAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 3229644 NBFANIVCYVDIIK-RUDMXATFSA-N 383.753 4.554 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)NC3CCCCCC3)s2)c1 3293666 IZXKTLWHKDVPHE-UHFFFAOYSA-N 376.551 4.521 0 40 GJAB Cc1cccc(OCCC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1 3368954 NNORFVRIICRWNW-UHFFFAOYSA-N 389.451 4.613 0 40 GJAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@]2(Nc3ccccc3S2)S1 4499217 QQMRFAGNUMWLKF-KRWDZBQOSA-N 391.905 4.599 0 40 GJAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 4699635 GAXLURUYDSSBFF-IBGZPJMESA-N 388.467 4.620 0 40 GJAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 4871114 OKBZCQOAZNRUQV-GWCFXTLKSA-N 383.872 4.546 0 40 GJAB CC(C)(C)c1cc(CNC(=O)c2ccc(COc3ccccc3Cl)cc2)n[nH]1 6386907 DOJFLTAMZFWOAU-UHFFFAOYSA-N 397.906 4.870 0 40 GJAB Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)Nc2cccc(C)c2)c1 6598413 NAUDTJOSLDFUPG-WOJBJXKFSA-N 380.492 4.558 0 40 GJAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccccc1Nc1ccccc1 6831757 OYYCFJWRKBWVGT-IEBWSBKVSA-N 380.488 4.767 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@H]1CCSc2ccccc21 7987964 SXMVDLCNTVCKAJ-NRFANRHFSA-N 391.540 4.775 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 7988806 YBOBIINDBAQRAO-MRXNPFEDSA-N 393.796 4.612 0 40 GJAB Cc1ccc(CSc2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 7997173 ZXWJZIDHMVEFSI-UHFFFAOYSA-N 389.521 4.785 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 8036272 VSVUFHMRSJVTFY-OAQYLSRUSA-N 396.531 4.776 0 40 GJAB Cc1sc2nc(CSc3ccccc3)nc(N3CCC[C@H](CO)C3)c2c1C 8177876 VOAODLOCEBEKBO-INIZCTEOSA-N 399.585 4.809 0 40 GJAB Cc1cccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1C 8673508 YHOKTHQFFQNLSA-QGZVFWFLSA-N 378.472 4.618 0 40 GJAB Cc1cccc(-n2c(C)nnc2S[C@@H](C)c2nnc(-c3cccs3)o2)c1 8725755 NLSYPHAUEZZXHB-LBPRGKRZSA-N 383.502 4.849 0 40 GJAB O=C(NCc1ccccc1)c1cccc(OCc2ncc(-c3ccccc3)o2)c1 9051449 QJDBESVIJISHFG-UHFFFAOYSA-N 384.435 4.851 0 40 GJAB O=C(c1ccc(Br)o1)N1CCC[C@H]1c1nc2ccccc2s1 9908513 MBXZHRCSGRBBSF-NSHDSACASA-N 377.263 4.629 0 40 GJAB CC(C)[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccc2c(c1)OCCO2 9936616 VEMOJOVJTWBZNL-YADHBBJMSA-N 380.488 4.605 0 40 GJAB C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCc2sccc2C1 10764041 WTRSMOKEMRXUFG-QGZVFWFLSA-N 392.524 4.712 0 40 GJAB O=C(CCCC(=O)OCCCc1ccccc1)Nc1ccc(F)c(Cl)c1 12137268 WOEKVYCQGWKHKG-UHFFFAOYSA-N 377.843 4.764 0 40 GJAB Cc1sc2nc(SCc3cccnc3)n(Cc3ccccc3)c(=O)c2c1C 12522413 YKPUHFACVMILAE-UHFFFAOYSA-N 393.537 4.810 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1F 12525450 XEMLRPLIARCIAY-FZNBYNMYSA-N 391.490 4.776 0 40 GJAB Cc1ccc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c(C)c1 12552888 PQUMOXQFCXDEMI-UHFFFAOYSA-N 395.768 4.709 0 40 GJAB O=C(COc1cccc(F)c1)Nc1nc(-c2ccco2)c(-c2ccco2)s1 12773092 UXTRPGVQCJRPRT-UHFFFAOYSA-N 384.388 4.820 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 12945272 LALUQRYRYHVCHZ-AWEZNQCLSA-N 376.456 4.722 0 40 GJAB O=C(Oc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 15013404 MOCOBIZUGKSBOK-UHFFFAOYSA-N 396.245 4.590 0 40 GJAB CC(C)N1CCC(CN(C)Cc2c(-c3ccc(F)cc3)[nH]c3ncccc23)CC1 19447808 RUGOLXLZKRNOMP-UHFFFAOYSA-N 394.538 4.921 0 40 GJAB O=C(O)Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1 20150979 CDVJWJJNDWCJDV-ZRDIBKRKSA-N 381.815 4.879 0 40 GJAB COc1ccc(CCC2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 24988079 TVCMINFFVAHHRJ-UHFFFAOYSA-N 386.923 4.632 0 40 GJAB Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3c2C(=O)[C@@H](C)[C@H]3C)cc1 26896978 XCZUZXPVGMDCHU-CVEARBPZSA-N 379.481 4.636 0 40 GJAB Cc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 28288701 JLDVBQVDUBZKDF-HSZRJFAPSA-N 394.559 4.625 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 30758969 SATZACSRCFZXJW-KKSFZXQISA-N 393.483 4.892 0 40 GJAB Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 33563326 MVPOIUBJUXSZCB-JOCHJYFZSA-N 392.480 4.615 0 40 GJAB N=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 33721152 FDGRXWOJHMUCTG-OGJKRULYSA-N 377.238 4.644 0 40 GJAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(F)c(Cl)c1 35684842 OFTQFPDHUMMCQN-MRXNPFEDSA-N 398.825 4.823 0 40 GJAB Cc1cc(C(=O)Nc2cc(F)ccc2F)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616670 ANMHIQDJHOYFIX-UHFFFAOYSA-N 396.372 4.707 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)cc1 38771902 XJXFXYBSXMWHTJ-AWEZNQCLSA-N 395.977 4.879 0 40 GJAB COc1cc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c(OC)cc1Cl 44839368 VIFDJUIPBAWDDQ-AWEZNQCLSA-N 377.868 4.688 0 40 GJAB O=C(Cc1csc(-c2ccccn2)n1)N1CCSc2ccc(Cl)cc21 48326500 NHKKZLJYGSIPHX-UHFFFAOYSA-N 387.917 4.540 0 40 GJAB O=c1c(Cl)c(Cl)cnn1-c1ccc(NCc2cccs2)c(Cl)c1 51185262 YDEHTEUHGSGVNF-UHFFFAOYSA-N 386.691 4.866 0 40 GJAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1cccc(Cl)c1F 51364532 XOMUPJWASNRJHI-CQSZACIVSA-N 382.822 4.638 0 40 GJAB O=C(c1cc(Cl)ccc1Cl)N1CCCN(CCCc2ccccc2)CC1 58217481 YTWVTYYJSKELNK-UHFFFAOYSA-N 391.342 4.774 0 40 GJAB COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccs2)cc1 67259501 TYSGZGFLIJGMMO-UHFFFAOYSA-N 394.521 4.807 0 40 GJAB Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccc(Cl)cc3)n2)nc1 72377603 JUUVDTADTRZESW-LJQANCHMSA-N 379.895 4.914 0 40 GJAB CCCOc1ccc(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)cc1OCCC 84758617 ARASCLTVOWACHH-NQIIRXRSSA-N 399.531 4.549 0 40 GJAB CN(C)C(=O)c1ccc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)cc1 95948380 OHDQJAPKPOXSCR-UHFFFAOYSA-N 395.462 4.856 0 40 GJAB Cc1ccc(C(=O)N2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)o1 95957452 DPYXEWMWPCKBJG-UHFFFAOYSA-N 393.418 4.570 0 40 GJAB O=C(NCCCn1ccc2cccnc21)NC(c1ccccc1)c1ccccc1 96353523 LYFOJTRINQTPCB-UHFFFAOYSA-N 384.483 4.515 0 40 GJAB COc1ccc([C@@H]2c3sc(O)nc3S[C@H]3[C@@H]4CC[C@H](C4)[C@@H]32)cc1OC 100623266 SNUBHAJWZFBQHA-OCASPTHESA-N 375.515 4.518 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@@H](CC)C2 100631271 JZDDWFWBEDLKSG-IXYNUQLISA-N 375.534 4.814 0 40 GJAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4cccc(C)c4)C3=C(O)C2)cc1 102578796 JTKACBHEXOEHJQ-VGOFRKELSA-N 386.455 4.660 0 40 GJAB O=C(CSc1ncn(-c2ccccc2)n1)N(c1ccccc1)c1ccccc1 199418696 VZHRCIQVXUOBBT-UHFFFAOYSA-N 386.480 4.724 0 40 GJAB COc1cccc(-c2noc(CN(C)C(=O)c3ccccc3SC(C)C)n2)c1 219659602 LCWMPNGHULVBDZ-UHFFFAOYSA-N 397.500 4.518 0 40 GJAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)S1 222624030 ZVLNZFDLYYJSRA-XMCHAPAWSA-N 378.476 4.601 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc(OC)c3OC(C)C)N21 222659640 PDFWXCFSJKKYRU-UIAACRFSSA-N 397.544 4.857 0 40 GJAB CC(C)c1ccccc1OCC(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 222814889 XMALKTCRTAOXFJ-UHFFFAOYSA-N 399.878 4.551 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 222942874 AAYBAPBGTVDZTC-RTWAWAEBSA-N 376.529 4.501 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1nnc(SCc2ccccc2)s1 223039854 HAQFAJKGANKJOU-MRXNPFEDSA-N 399.541 4.935 0 40 GJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 224858539 KGZVTTAOAQWORR-QZTJIDSGSA-N 385.876 4.519 0 40 GJAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C 225574958 FAJKYMGFSMWLNM-KRWDZBQOSA-N 385.479 4.998 0 40 GJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225838934 DSMUVEGQRINAJW-BTYIYWSLSA-N 379.497 4.574 0 40 GJAB Cc1cncnc1[C@@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 257265231 LXUZNVKXLJPDLP-HXUWFJFHSA-N 387.483 4.530 0 40 GJAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2cccc(C)c2)n1 408697192 FUFKGODURPPEQJ-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB O=C(CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1 409224600 LHLAOPQYQDRISD-MHWRWJLKSA-N 391.370 4.625 0 40 GJAB CC(C)Sc1ccc(CC(=O)NCc2nccnc2-c2ccsc2)cc1 575617948 BIVRKFGMOCEWHE-UHFFFAOYSA-N 383.542 4.565 0 40 GJAB OC[C@@]1(c2ccccc2)CCCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 585080236 OHWMPIJIZQHCCX-JOCHJYFZSA-N 382.891 4.521 0 40 GJAB Cc1ccccc1Cn1c(NC(=O)c2c(C3CCC3)cnn2C)nc2ccccc21 585114328 UIAGZCLUTBEFTL-UHFFFAOYSA-N 399.498 4.646 0 40 GJAB O=C1Nc2nc(cs2)[C@@H]2CCCN2Cc2ccccc2OCc2cccc1c2 585281450 ZZSPSTCOHPERLJ-IBGZPJMESA-N 391.496 4.625 0 40 GJAB Cc1cc(C)cc(Oc2cccc(Cl)c2NC(=O)c2nnn(C(C)(C)C)n2)c1 622890551 KVJKAVQIGZGGJE-UHFFFAOYSA-N 399.882 4.743 0 40 GJAB Cc1cc(Br)c(O)c(NC(=O)c2csc(-c3ccccc3)n2)c1 1546175595 VWAHIXIPGWCUTR-UHFFFAOYSA-N 389.274 4.839 0 40 GJAB COc1ccc(Cl)cc1C(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775978493 SJJCCHOJSWTVGW-QGZVFWFLSA-N 387.888 4.541 0 40 GJAB CC(C)C(=O)N1CCCCCCCNCc2cc(NCc3cccnc3)ccc21 2037931593 XDHQFZUYAGBDFH-UHFFFAOYSA-N 394.563 4.736 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 875938 JTXBDODFGUKPAC-HUUCEWRRSA-N 387.549 4.916 0 40 GJAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1OCC 936358 MBTUUBULWZAMFE-RIYZIHGNSA-N 397.471 4.701 0 40 GJAB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(=O)O)C3=O)cc1C 1312348 IFRWVFKPDNJZBY-UHFFFAOYSA-N 387.391 4.595 0 40 GJAB Cc1sc2nc(C3CC3)nc(SCC(=O)NCc3ccccc3)c2c1C 1377381 VLBFHUZWNJXVKU-UHFFFAOYSA-N 383.542 4.594 0 40 GJAB Cc1nn2cc(-c3ncc(C(F)(F)F)cc3Cl)cnc2c1Br 1391617 KEYMZPDWDIJUGF-UHFFFAOYSA-N 391.578 4.534 0 40 GJAB O=C(Oc1ccccc1/C=C1/N=C2CCCCCN2C1=O)c1ccccc1Cl 1408915 MAHZLOHYKPTJPX-NBVRZTHBSA-N 394.858 4.715 0 40 GJAB O=C1CS[C@@H](c2ccc(Cl)cc2)C(=O)N1c1ccc(C(F)(F)F)cc1 3125680 LMNGNKMXACOYAC-HNNXBMFYSA-N 385.794 4.707 0 40 GJAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)NC1CCCCC1 3135901 JBZZPKPGMRKENP-UHFFFAOYSA-N 381.476 4.710 0 40 GJAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccccc1OC(F)F 3291655 NXZBCKZLOWMFAB-QPEQYQDCSA-N 384.165 4.939 0 40 GJAB COc1cccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 3361813 QFCJDNUUIYKDOR-UHFFFAOYSA-N 377.469 4.887 0 40 GJAB CCOc1ccc(C(=O)N2CCN=C2SCc2ccccc2C)cc1OCC 4120016 XZBJZUNYEMBCHU-UHFFFAOYSA-N 398.528 4.538 0 40 GJAB Cc1cc(C)cc(-n2c(SCc3ccccc3)nc3c(c2=O)SCC3)c1 4358845 JDRROQBQZPOJEF-UHFFFAOYSA-N 380.538 4.790 0 40 GJAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(Cl)s3)sc2c1 4359533 GDGIKSNOQSPMAO-UHFFFAOYSA-N 393.965 4.918 0 40 GJAB OC1(c2cccc(C(F)(F)F)c2)CCN(c2ccc(-c3ccccc3)nn2)CC1 4409457 UYOJRXNPSQYXDQ-UHFFFAOYSA-N 399.416 4.650 0 40 GJAB COc1ccc(C(=O)Nc2c(-c3cccc(C)c3)c(=O)c3ccccc3n2C)cc1 5271561 HEPMIJSTAIRESS-UHFFFAOYSA-N 398.462 4.775 0 40 GJAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2nc(-c3ccccc3)oc2C)c(C)c1 5538553 XWEREISSIHWTLZ-QGZVFWFLSA-N 392.455 4.759 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2Br)cc1OCC 6309187 RDDMMQQDUXGFFQ-CYBMUJFWSA-N 392.293 4.738 0 40 GJAB COc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)ccc1OCC(C)C 6609030 JWBBEAJSGYMUSP-UHFFFAOYSA-N 383.473 4.501 0 40 GJAB CC(C)c1ccc([C@@]2(C(=O)NC3CCCCC3)CC(=O)N2c2ccccc2)cc1 6661916 KWWAEHSVSPLQSZ-RUZDIDTESA-N 390.527 4.891 0 40 GJAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccc2Cc2ccccc2)CC1=O 7398691 NTUAZVSOGCTOPV-CVDCTZTESA-N 398.506 4.826 0 40 GJAB Cc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCc3ccccc32)cc1 7516083 STAAMWFLACCLPX-FQEVSTJZSA-N 377.513 4.982 0 40 GJAB Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)c1 7929140 AQJNYXQQZSPPJO-QFIPXVFZSA-N 399.490 4.853 0 40 GJAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(-c2cccnc2)nc2ccccc12 8165540 PAXKQIIIQWNUHI-UHFFFAOYSA-N 397.434 4.710 0 40 GJAB O=C(CCCc1nc2ccccc2s1)NCCCn1ccc2ccccc21 8194690 KUPYAAQGOZOWDJ-UHFFFAOYSA-N 377.513 4.780 0 40 GJAB O=c1c2cc(Cl)ccc2ncn1Cc1csc(-c2ccccc2Cl)n1 8754639 YFKYJOKUZUSWBY-UHFFFAOYSA-N 388.279 4.875 0 40 GJAB Cc1nc(Nc2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)nc2ccccc12 9244576 KKEUNMMVYMWOGT-HNNXBMFYSA-N 399.429 4.524 0 40 GJAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2c(C)oc3ccccc23)CC1 12292745 HMLDKCNTSGUIGR-UHFFFAOYSA-N 380.463 4.508 0 40 GJAB O=C(CCCc1cccs1)Nc1ccc(C2=CSC3=NCCCN23)cc1 12775917 LJCLELHWVMQZSP-UHFFFAOYSA-N 383.542 4.816 0 40 GJAB Cc1cc(C(=O)O[C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)on1 12797580 YJKGBHPVHINTDL-CQSZACIVSA-N 395.846 4.952 0 40 GJAB CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 12869083 YSKYSQZEVNUXOX-CLZTWVGMSA-N 386.532 4.957 0 40 GJAB biogenic O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccc(SC(F)F)cc1 12914232 HIMILPBZOVPHDK-UHFFFAOYSA-N 398.862 4.803 0 40 GJAB C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)C[C@@H](C)O1 13005906 XXAFUAXNXKDWHT-BETUJISGSA-N 386.904 4.866 0 40 GJAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)cc1 14070950 HHZBJVJYJBLOCT-JOCHJYFZSA-N 398.934 4.631 0 40 GJAB COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 16960278 UIGJNCHNMDFWRY-UHFFFAOYSA-N 386.451 4.541 0 40 GJAB Cc1ccc(Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)nc3c2cnn3C)cc1Cl 18046889 CEZIMPXQMMGFGF-BETUJISGSA-N 384.915 4.551 0 40 GJAB Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1-c1ccc(CO)o1 20138308 LTSRUJYTPULWBF-UHFFFAOYSA-N 386.245 4.762 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 20485092 HHTGAUVGEVVODO-HXUWFJFHSA-N 382.504 4.628 0 40 GJAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc(Cl)ccc1Cl 20609846 GYCJNIMROVWDHO-UHFFFAOYSA-N 383.238 4.980 0 40 GJAB O=C(Nc1ccccc1Oc1ccccc1Cl)C1CCN(C(=O)C2CC2)CC1 24401259 IXUXDIFDZOIHBO-UHFFFAOYSA-N 398.890 4.719 0 40 GJAB O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1cccs1)Cc1cccs1 24463825 BUZJGTGQGYKGDO-SOFGYWHQSA-N 383.494 4.781 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1OCC 30853771 JDZCSUXKSHTMTQ-PXNSSMCTSA-N 385.504 4.827 0 40 GJAB COc1cc(C(=O)N[C@@H](c2cccs2)C(C)C)ccc1OCc1ccncc1 31895646 FUWAJMXAINUIFM-OAQYLSRUSA-N 396.512 4.858 0 40 GJAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 32842052 LIHYMYFIKGYBMJ-INIZCTEOSA-N 391.496 4.808 0 40 GJAB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1ccc(Cl)cc1 33326937 NQJZZWNVXJITGS-AQHRCUNFSA-N 398.871 4.571 0 40 GJAB Cc1ccc(Nc2c(-c3ccccc3O)nc3cnccn23)c(Br)c1 35616373 ZUHQPFCUUUKRHS-UHFFFAOYSA-N 395.260 4.916 0 40 GJAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c1OC(C)C 36355068 BJESYOSYNAXFAC-HNNXBMFYSA-N 395.434 4.931 0 40 GJAB COc1ccc([C@H]2CCCCCN2[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 37190248 YUOAFHGTTBLIGU-IIBYNOLFSA-N 377.488 4.610 0 40 GJAB C[C@H](Sc1ncc(Cl)cc1Cl)c1nc(N)nc(Nc2ccccc2)n1 40067166 PKOHTBXMPIPQNU-VIFPVBQESA-N 393.303 4.753 0 40 GJAB O=C(NC1CC1)c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 40152264 WFQPFVGZEUCPHD-IBGZPJMESA-N 383.879 4.601 0 40 GJAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 44841879 MFFFOKNENMCYGT-JOCHJYFZSA-N 383.513 4.914 0 40 GJAB CC[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(C)cc1C 44856683 FYFXJVLWTYLVQS-QHCPKHFHSA-N 382.523 4.922 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1ccn(-c3cccc(Cl)c3)n1)O[C@H](C)C2 59851206 LFOBBDUYSZCKTE-CYBMUJFWSA-N 397.862 4.500 0 40 GJAB O=C(Cc1ccccc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349015 SLBAWABEHOUYAN-NRFANRHFSA-N 388.486 4.760 0 40 GJAB CC(=O)N1CCC(N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)CC1 72350197 RLWPYPAUDOBHHW-IBGZPJMESA-N 397.950 4.592 0 40 GJAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)C1 77200234 NFORMYRNCWNIAV-KGLIPLIRSA-N 378.881 4.691 0 40 GJAB CCCOc1ccc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)cc1OCCC 84758620 ARASCLTVOWACHH-RXVVDRJESA-N 399.531 4.549 0 40 GJAB O=C(Cc1ccccc1Cl)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 90607127 XMBVLDAUFUVBSC-UHFFFAOYSA-N 394.906 4.573 0 40 GJAB Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C(=O)Nc2ccccc2C)cc1 100426110 UWPSEQITPSCBTK-SFTDATJTSA-N 391.515 4.651 0 40 GJAB O=C(Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1)c1ccno1 208007076 GRWGXYJFJLTVOU-UHFFFAOYSA-N 380.404 4.933 0 40 GJAB O=C(CCSc1ccccc1)NCc1ccc(C(=O)c2ccsc2)s1 211084148 NTPPRSUTUGXUOB-UHFFFAOYSA-N 387.551 4.839 0 40 GJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2Br)c1 218854787 CKPYWRCOTVCKKD-CYBMUJFWSA-N 396.712 4.976 0 40 GJAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cccc(C(F)(F)F)c1 224807505 VUMXRENZJZPICH-CQSZACIVSA-N 377.406 4.668 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c(C)c1 225578133 NAWJUZLKFQDKDN-GOSISDBHSA-N 398.528 4.761 0 40 GJAB CC(C)c1ccc(CCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225807286 YAFVCCWMBQBTFQ-UHFFFAOYSA-N 395.572 4.856 0 40 GJAB O=C(O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226341240 PVRKOFSDYRRYDS-AATRIKPKSA-N 385.616 4.918 0 40 GJAB CNC[C@H]1CC[C@H](c2cc(CN(C)CC[C@@H](C)c3ccccc3)n(C)n2)CC1 257277729 NZDNDERJOJHPRF-KCZVDYSFSA-N 382.596 4.539 0 40 GJAB COc1cccc(CNC(=S)c2ccc(OCc3ccc(F)cc3)cc2)c1 408575291 NQPSQDXUBIFKLW-UHFFFAOYSA-N 381.472 4.879 0 40 GJAB CC1CCN(C(=S)Oc2cccc(C(=O)Nc3ccccc3Cl)c2)CC1 408722196 RHTTVJGIRANDEC-UHFFFAOYSA-N 388.920 4.988 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3cccs3)cc2c1 790415 FOBUZPINJAZDAI-UHFFFAOYSA-N 388.492 4.741 0 40 GJAB O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCCCCC1 917901 HUKGMFUCLGGMRN-UHFFFAOYSA-N 399.438 4.640 0 40 GJAB CCc1nc(SCC(=O)Nc2ccccc2F)c2c(C)c(C)sc2n1 1372132 OBCSJWADLJQLEB-UHFFFAOYSA-N 375.494 4.740 0 40 GJAB CCOC(=O)c1c(NC(=O)CN(CC)CC)sc(Cl)c1-c1ccccc1 1465983 NUINGJCRHYFBDR-UHFFFAOYSA-N 394.924 4.526 0 40 GJAB CN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)c2cc(Br)ccc21 3363443 LUPIVUIIQLYZBD-ZSOIEALJSA-N 382.179 4.985 0 40 GJAB Cc1coc2cc3oc(=O)c(CCC(=O)NC4CCCCCC4)c(C)c3cc12 4087824 DDGSMXIZEZUXEQ-UHFFFAOYSA-N 381.472 4.928 0 40 GJAB biogenic Cc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3cccc(F)c3)n2)cc1 4214833 RMTMFLQMYBBARV-UHFFFAOYSA-N 397.519 4.856 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2ccc3nc(-c4ccccc4)cn3n2)c1 4251201 UQXQFIKJKDSBQN-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc1cccc2ccccc12 4385656 HRPAWNMJNUZMDO-UHFFFAOYSA-N 385.511 4.943 0 40 GJAB CCOc1cc(Cl)ccc1C(=O)Nc1ccccc1NC(=O)c1ccco1 4520016 OTELOBKQDDCVFR-UHFFFAOYSA-N 384.819 4.836 0 40 GJAB Cc1cccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)c1 4546010 WFWABJDSCHMCFJ-QNGOZBTKSA-N 383.403 4.559 0 40 GJAB CCN(CC)CCSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2 5266653 UYUQDLPSKXIAEM-UHFFFAOYSA-N 385.577 4.737 0 40 GJAB Cc1cccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2Cl)c1 5545727 XOSFZMYFABTNDD-UHFFFAOYSA-N 389.886 4.976 0 40 GJAB CCCc1cc(-c2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)ccn1 6758870 XOQIOWVUJSULIF-UHFFFAOYSA-N 378.453 4.940 0 40 GJAB O=C(Cc1coc2ccc3ccccc3c12)NCc1ccc(N2CCCC2=O)cc1 7491185 YSLCSSUNECTHIH-UHFFFAOYSA-N 398.462 4.572 0 40 GJAB O=C(OCc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 7537630 NXFDMLINJGZYBS-UHFFFAOYSA-N 392.282 4.589 0 40 GJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 7928848 KLZSNBZFLQVZQY-AUSIDOKSSA-N 399.490 4.793 0 40 GJAB Cn1c(SCC(=O)c2ccc(C3CCCCC3)cc2)nnc1-c1cccnc1 7978809 XHVLCXLWAYYBCA-UHFFFAOYSA-N 392.528 4.900 0 40 GJAB Cc1ccc(NC(=O)CN(C)Cc2ccc3ccccc3c2)c(Br)c1 8127514 CWMFCMDZCATLCD-UHFFFAOYSA-N 397.316 4.981 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 8180825 PZLAKARUHXWBNO-UHFFFAOYSA-N 391.467 4.854 0 40 GJAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(C)c(C)c2)cc1OC 9054603 SYCDAJUFAOFEOL-VWLOTQADSA-N 389.495 4.769 0 40 GJAB C[C@H](SCc1ccc(Br)cc1F)C(=O)NCCc1ccccc1 9594974 KCNNUPHDUNDHMK-ZDUSSCGKSA-N 396.325 4.569 0 40 GJAB COc1ccccc1NC(=O)c1ccc2nc(-n3c(C)ccc3C)sc2c1 12322695 UXTSQPZNJDNEHS-UHFFFAOYSA-N 377.469 4.965 0 40 GJAB Cc1cccc(-n2ccnc2SCc2cc(=O)oc3cc(O)c(Cl)cc23)c1 12544361 FYRNBQIIBOZWCP-UHFFFAOYSA-N 398.871 4.938 0 40 GJAB Cc1ccc(-c2nc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)co2)c(C)c1 12797256 DAVKVDWLJSROJJ-UHFFFAOYSA-N 382.769 4.841 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc(-c2ccc(C)o2)cs1 12855145 CLMNAQCDOKNJCC-GOSISDBHSA-N 393.468 4.614 0 40 GJAB Cc1ccsc1CN(C)Cn1nc(NCc2ccc(F)cc2)sc1=S 14242043 ZHYSCGGKRAUPSY-UHFFFAOYSA-N 394.566 4.885 0 40 GJAB CC(=O)c1csc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)n1 15200644 CLWXRHFGLGFAPS-UHFFFAOYSA-N 375.453 4.606 0 40 GJAB CCCC(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1 19501274 KMONNBKXDLZCDR-GFCCVEGCSA-N 383.414 4.871 0 40 GJAB CCCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 20969483 AVHUJUFZXPEHRZ-UHFFFAOYSA-N 385.939 4.791 0 40 GJAB CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCC(C)CC3)c(O)n2n1 22853282 YBLFLAKLBGNSPB-MRXNPFEDSA-N 390.940 4.534 0 40 GJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1cccnc1 24535753 FAFLWPXXMWJGHP-UHFFFAOYSA-N 383.455 4.598 0 40 GJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3C)o2)cc1 27525802 AQPFNCSEUPJLGF-UHFFFAOYSA-N 397.500 4.559 0 40 GJAB COc1ccccc1Oc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 28781523 VKRFURQCHGBWBC-FOCLMDBBSA-N 381.453 4.900 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1C(=O)c1ccc(Cl)cc1 29218230 YBIWBSHMDWCLBZ-UHFFFAOYSA-N 379.799 4.552 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc2ccccc2o1 30592331 CKQLQABYHCLPMD-UHFFFAOYSA-N 383.757 4.575 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc(C)c2)cc1OCC 30853767 JDZCSUXKSHTMTQ-XLIONFOSSA-N 385.504 4.827 0 40 GJAB CSc1nc2ccc(NC(=O)c3ccn(-c4ccc(F)cc4)n3)cc2s1 31489600 RCRJONADDXQBCJ-UHFFFAOYSA-N 384.461 4.595 0 40 GJAB CCOc1ccccc1CN(C[C@@H](C)O)C(=O)Nc1cccc2ccccc12 31663179 NSQKWDKGQHXMTA-QGZVFWFLSA-N 378.472 4.653 0 40 GJAB CC(C)c1sc(NC(=O)c2ccc(-n3ccnc3)nc2)nc1-c1ccccc1 32742257 CKUKVCJNNGNOKS-UHFFFAOYSA-N 389.484 4.767 0 40 GJAB COC(=O)Nc1snc(C)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 32797096 XHGWWGUIOBDWQV-UHFFFAOYSA-N 383.429 4.674 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC[C@H](c2nc3ccccc3o2)C1 35442850 VLZFVOHKEUPBBE-LBPRGKRZSA-N 391.349 4.748 0 40 GJAB biogenic,in-vitro COc1ccc([C@@H]2CCCN2Cc2ccccc2Br)cc1OC 36395395 JVWHEMSUSMWEIA-KRWDZBQOSA-N 376.294 4.803 0 40 GJAB Cc1ccc(-c2noc(CSc3nc(O)cc(-c4ccccc4)n3)n2)cc1C 38654260 AYCMIBBLCHEOAE-UHFFFAOYSA-N 390.468 4.808 0 40 GJAB CCCCOc1ccc(NC(=O)N2CCC(c3nnc(C(C)C)o3)CC2)cc1 38904941 YCZILQVMLYROQC-UHFFFAOYSA-N 386.496 4.783 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 47536402 LFGYXQULHJAUNL-IBGZPJMESA-N 379.485 4.521 0 40 GJAB O=C1OC(c2ccccc2Cl)=N/C1=C\C(Br)=C\c1ccccc1 63896854 QDROBGFAHMHAME-OAPQASQTSA-N 388.648 4.963 0 40 GJAB CCc1cccc(C)c1Nc1c(-c2ccc(C(=O)OC)cc2)nc2cnccn12 65322713 DXRQKXZUJDHZET-UHFFFAOYSA-N 386.455 4.797 0 40 GJAB COc1nc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc2ccccc12 65551898 IYXCWDZOUFSLIB-UHFFFAOYSA-N 375.428 4.934 0 40 GJAB COc1ccccc1CNc1nc2c(-c3ccc(F)cc3)nnn2c2ccccc12 67261384 HQOCDLJVBPDHDX-UHFFFAOYSA-N 399.429 4.704 0 40 GJAB O=C(Nc1ccc(Sc2nncs2)cc1)C1(c2cccc(F)c2)CCC1 69327121 BTCLFZHOFYYLSG-UHFFFAOYSA-N 385.489 4.889 0 40 GJAB Cc1ccc(C)c(NC(=O)Cc2nc(CN(C)Cc3ccccc3F)cs2)c1 72242685 BAPFDIFFTTUYLE-UHFFFAOYSA-N 397.519 4.712 0 40 GJAB CCn1c([C@H]2CCCN2Cc2nc(-c3ccc(F)cc3)no2)nc2ccccc21 72314371 YQYIFZZGNBLYHB-LJQANCHMSA-N 391.450 4.582 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72348673 FCWIBJRXONWHTF-UHFFFAOYSA-N 392.449 4.970 0 40 GJAB O=C(Cc1csc(-c2cccnc2)n1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 79103538 RHBNBZDNQOZRTA-WMZHIEFXSA-N 389.524 4.676 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2c(C)noc2-c2ccccc2)cc1OCC 96011666 JSGLBIJRAOCXIP-OAHLLOKOSA-N 394.471 4.938 0 40 GJAB COc1cccc(-c2nn(CC3CC3)c3c2[C@H]2CN(Cc4ccccc4)C[C@H]2C3)c1 96145661 DZYKWMPUULGQEB-GGAORHGYSA-N 399.538 4.740 0 40 GJAB COc1cccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1 102751071 XSMSXGUNDRTNOU-SGTLLEGYSA-N 394.456 4.769 0 40 GJAB CN(Cc1coc(-c2cccs2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108064405 NGAGYLHIGIGWBX-NVXWUHKLSA-N 395.311 4.800 0 40 GJAB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c1OC 214092557 YFXOZESCCJTRMO-MHWRWJLKSA-N 389.860 4.594 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)[nH]2)c1 216028107 QMTURCPMVZTREN-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCCSc2ccc(Cl)cc2)cc1 222874844 GOPBSQLFOAJZOZ-IBGZPJMESA-N 377.937 4.968 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSC1CCCCC1 223831307 JYENJCDYTXEVRU-NRFANRHFSA-N 375.578 4.905 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)CCCOc3ccc(Cl)cc3)s2)cc1 223914160 VKTYZOAGKFQLCK-UHFFFAOYSA-N 387.892 4.965 0 40 GJAB CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224715623 ICNNJVOSZHFHID-UHFFFAOYSA-N 395.105 4.581 0 40 GJAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc4sncc4c3)c2)n1 225914442 JTAZMAWZDCMZJB-UHFFFAOYSA-N 375.457 4.699 0 40 GJAB CCc1cc(Br)cc(C)c1NC(=O)COc1ccccc1Cl 226092144 OKJSIARULQEIKN-UHFFFAOYSA-N 382.685 4.991 0 40 GJAB COc1cc(Cl)cc([C@H]2C[C@@H](NC(=O)CC(C)C)[C@@H]3CCC[C@H]3O2)c1OC 257300524 RUPLRMXXVOTCIK-DZOHQFGASA-N 395.927 4.518 0 40 GJAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)n1 257338131 YWAMJVQHPCMOCE-QGZVFWFLSA-N 399.564 4.580 0 40 GJAB O=C(N[C@H](c1ccsc1)c1cccs1)C1(c2ccccc2)CCOCC1 390826075 AYFUSROWMJONAD-LJQANCHMSA-N 383.538 4.764 0 40 GJAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)S2)cc1 408786049 KLFVXGCEYILZBO-VLOXRPPESA-N 377.513 4.649 0 40 GJAB O=C(O)c1cc(-c2cc(F)ccc2OCC2CCOCC2)cc2cccnc12 583274262 TZSSNAIDUOEHQL-UHFFFAOYSA-N 381.403 4.545 0 40 GJAB Cc1ccc(C)c(SCC(=O)Nc2ccc(OCCN3CCCCC3)cc2)c1 1566354157 USKZYQRTBPFUKK-UHFFFAOYSA-N 398.572 4.899 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1C 629575 ONXZLQVMLORXDW-UHFFFAOYSA-N 391.496 4.727 0 40 GJAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1C 714088 RYONNDPMDXKLEE-PGAZUGQPSA-N 393.486 4.874 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3n2)c(OC)c1 1002494 FEMAZDFKEAJKBD-UHFFFAOYSA-N 399.450 4.875 0 40 GJAB CCc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)s2)cc1 1342178 KKFVGHDJFAZQDM-UHFFFAOYSA-N 384.545 4.715 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CC3)cc2c1 1364868 KIPUKBVNGPXRDM-UHFFFAOYSA-N 381.863 4.686 0 40 GJAB COc1ccc(C2=C(Oc3ccc(F)cc3)c3ccc(OC)cc3S2=O)cc1 1403458 LUHKAFLEPLFVGB-UHFFFAOYSA-N 396.439 4.869 0 40 GJAB CCCc1cc2c(cc1CN(C#N)Cc1cc3c(cc1CCC)OCO3)OCO2 1670544 KDTLSLOJWKXWHZ-UHFFFAOYSA-N 394.471 4.532 0 40 GJAB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc2ccccc2c1 2231509 ZRGMRNWWYRKFQR-UHFFFAOYSA-N 375.497 4.567 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1nc(-c2ccccc2)cs1 2720271 RXNQYLKPTCALJX-UHFFFAOYSA-N 394.481 4.591 0 40 GJAB O=C(NC1CCCCCC1)c1ccn(COc2ccc(Cl)cc2Cl)n1 2794248 YTRXQYQQUVRWEF-UHFFFAOYSA-N 382.291 4.679 0 40 GJAB C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Oc2ccccc2)cc1 3284380 PUUMTHOCHGHSPE-CQSZACIVSA-N 397.377 4.941 0 40 GJAB CCCC(=O)OCc1nc2ccccc2c(-c2ccccc2)c1C(=O)OCC 3443629 FKQHJGUHPQKYFH-UHFFFAOYSA-N 377.440 4.922 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H]1CCCc2ccccc21 3446897 QWPZLTSFZNCCIH-GOSISDBHSA-N 383.854 4.781 0 40 GJAB COC(=O)c1ccc(COC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)o1 3455323 ZEAFTEACNKTKCK-UHFFFAOYSA-N 391.379 4.540 0 40 GJAB O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(C(F)(F)F)c1 4166970 QBTVTONFHSMAQU-UHFFFAOYSA-N 376.403 4.801 0 40 GJAB CCN(CC)CCOC(=O)C(OCCC(C)C)(c1ccccc1)c1ccccc1 4430116 BCOMAKKOGGODRQ-UHFFFAOYSA-N 397.559 4.878 0 40 GJAB CCOc1ccc(S(=O)(=O)Oc2cccc3cccnc23)c2ccccc12 4832850 BZNWZRZSRXPNRW-UHFFFAOYSA-N 379.437 4.554 0 40 GJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C 4860410 WKLTVQNZSGPAPS-UHFFFAOYSA-N 384.505 4.542 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1 4879329 XGGFYMOAJLBQFX-LBPRGKRZSA-N 380.448 4.764 0 40 GJAB O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCCCC1 4893868 JNSHNQHWRBQPIE-QFIPXVFZSA-N 391.515 4.799 0 40 GJAB CC1=C(C)C[C@H](C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)[C@@H](C(=O)O)C1 5126514 XZVJWQOWGPKPOJ-HOTGVXAUSA-N 388.464 4.643 0 40 GJAB aggregator Cc1cc(OCC(=O)Nc2cccc(Br)c2)ccc1Br 5925295 SAOVGNNZTONOHX-UHFFFAOYSA-N 399.082 4.538 0 40 GJAB CCCCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)cc1 6323343 KKAJQCROZNGXFJ-UHFFFAOYSA-N 384.457 4.514 0 40 GJAB COC(=O)c1c(NC(=O)Cc2coc3cc(C)cc(C)c23)sc2c1CCCC2 6809833 CWMFBFCDKKYGSW-UHFFFAOYSA-N 397.496 4.958 0 40 GJAB O=C(CSc1nncn1-c1ccccc1)c1ccc2c(c1)-c1ccccc1C2 6867204 GDTUJNTUKJKBNV-UHFFFAOYSA-N 383.476 4.814 0 40 GJAB O=c1c2ccccc2nc(SCCc2ccncc2)n1-c1cccc(Cl)c1 7112436 FNTKVJUIXXBOIZ-UHFFFAOYSA-N 393.899 4.769 0 40 GJAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1cc(Cl)ccc1Cl 7294081 LUGAWZJCCVQIQY-NSHDSACASA-N 395.311 4.849 0 40 GJAB Cc1cc(Cl)ccc1OCc1nnc(SCc2ccc(C(=O)O)cc2)o1 7605232 ZNYMGYFBDJTCQA-UHFFFAOYSA-N 390.848 4.601 0 40 GJAB COc1cc(CO)cc(Br)c1OCc1ccc(Cl)cc1Cl 8470268 DBXNISNRFFPFSV-UHFFFAOYSA-N 392.076 4.836 0 40 GJAB O=C(Nc1ccc(Cl)cc1)Nc1nc(C(=O)NC2CCCCCC2)cs1 9319047 PZYPOXYOUGVCMV-UHFFFAOYSA-N 392.912 4.893 0 40 GJAB Nc1c(C(=O)Nc2ccccc2Cl)c2ccccn2c1C(=O)c1cccs1 12375647 ZYHFFSZYZJTLCK-UHFFFAOYSA-N 395.871 4.720 0 40 GJAB O=C(Nc1ccc(Br)cc1)C1=C(c2ccccc2)SCCO1 12390907 YKSMXWRBKMXXDT-UHFFFAOYSA-N 376.275 4.520 0 40 GJAB Cc1oc(-c2ccccc2)nc1COC(=O)C1=Cc2cc(Cl)ccc2OC1 12483883 NGJSTKRKUPKDIX-UHFFFAOYSA-N 381.815 4.823 0 40 GJAB COc1cc(/C=C/C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc(OC)c1OC 12977032 TWHHINMRERHSLR-NKSUMMKUSA-N 395.455 4.691 0 40 GJAB c1csc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13769354 MTMODDHTEBMFBX-HRAATJIYSA-N 376.437 4.719 0 40 GJAB CC1CCN(Cc2csc(NC(=O)Cc3ccc(Cl)cc3Cl)n2)CC1 14167088 PDZFXDIFSYUZJC-UHFFFAOYSA-N 398.359 4.863 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)[nH]n2)cc1 14527137 MYNZOWVEYBWMQL-CQSZACIVSA-N 376.485 4.828 0 40 GJAB CN(C)C(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 16013565 BJOUMLJBDPAFRD-OAQYLSRUSA-N 390.508 4.861 0 40 GJAB COc1ccc(CCNCc2ccc(OCc3cccc(C)c3)c(OC)c2)cc1 16349339 WJYZEPFXLOBDLV-UHFFFAOYSA-N 391.511 4.924 0 40 GJAB CC(C)COc1cccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)c1 17080634 MCSPQEOKAUUHQT-UHFFFAOYSA-N 394.496 4.707 0 40 GJAB CCc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)C[C@H](C)C3)cc1 20796913 PYJZXYPJRLYCJS-OAHLLOKOSA-N 375.472 4.952 0 40 GJAB CCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cccc(C)c3nc21 21596538 DALXLXBQVXYNHR-UHFFFAOYSA-N 394.862 4.584 0 40 GJAB O=C(NCc1ccc(OC(F)F)cc1)c1cccnc1Sc1ccccc1 22508487 ZLXVEWRLUCPTSC-UHFFFAOYSA-N 386.423 4.764 0 40 GJAB Cc1noc(CSc2ccccc2C(=O)N[C@H]2CCSc3ccccc32)n1 22523594 NQBXBXXNXGNKBM-INIZCTEOSA-N 397.525 4.637 0 40 GJAB Cc1ccc(-c2nnc([C@H](C)N3CCN(Cc4ccc(Cl)cc4)CC3)o2)cc1 22777245 PSFRJIUGPQWFCW-KRWDZBQOSA-N 396.922 4.577 0 40 GJAB Cc1nc(NC(=O)c2cc3c(s2)CCCCCC3)sc1-c1nccn1C 25513580 HJETYURREJDLSW-UHFFFAOYSA-N 386.546 4.825 0 40 GJAB CN(C)[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccsc1 25813168 OEIBVJFZGWMDRT-GOSISDBHSA-N 376.953 4.632 0 40 GJAB Cc1cc(CSc2ncccc2C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)no1 27852013 FFIKGRLZGYINAS-OLZOCXBDSA-N 399.438 4.521 0 40 GJAB CC(=O)c1ccc(OCc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)o2)cc1 27976622 YKUDXETZWHODNV-HNNXBMFYSA-N 375.424 4.653 0 40 GJAB CC(C)(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCCCC2)cc1 28293421 LUCCXSXOFBQMNW-HSZRJFAPSA-N 394.559 4.706 0 40 GJAB O=c1oc2c(Br)cc(Br)cc2cc1-c1ccccc1 28527074 VIYLKXWVOLLBEX-UHFFFAOYSA-N 380.035 4.985 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2coc(-c3ccc(F)cc3)n2)c(OC)c1 29441521 OMDXTWZNDAGIDK-FQEVSTJZSA-N 382.435 4.835 0 40 GJAB c1ccc([C@H](NCc2ccc(OCc3ccncc3)cc2)c2ccccn2)cc1 30544692 AJILMVKGGDUJLL-VWLOTQADSA-N 381.479 4.935 0 40 GJAB COc1ccc(CN(C(C)=O)[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 32073753 BRYXUDWHJVUWBB-XMMPIXPASA-N 389.451 4.562 0 40 GJAB Cc1cc(C)nc(Sc2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)cc2)n1 36799568 RBNFPPMRRKLKGS-INIZCTEOSA-N 382.316 4.767 0 40 GJAB O=C(COc1ccc(F)cc1Cl)Nc1cc(C2CC2)nn1-c1ccccc1 40023555 ZQZBQMJAFAUJSB-UHFFFAOYSA-N 385.826 4.560 0 40 GJAB Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4cccs4)n3)c2)c1 40488335 YZJHVJLUGYEXGO-UHFFFAOYSA-N 391.452 4.791 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)CSCc2ccc(F)cc2)cc1OCC 44881038 ARVBIGXYIUGQHF-HNNXBMFYSA-N 391.508 4.734 0 40 GJAB CC1CCN(Cc2ccc(C(=O)NCc3cccc(OC(C)C)c3)cc2)CC1 44882681 YSMVTCUCWMIPFS-UHFFFAOYSA-N 380.532 4.636 0 40 GJAB Cc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 44912347 NKGCGVDTOKIHQU-UHFFFAOYSA-N 391.342 4.830 0 40 GJAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)COc1ccc(C(C)(C)C)cc1 45890099 MKYLCAKVMNLKPQ-UHFFFAOYSA-N 398.532 4.514 0 40 GJAB O=C(c1ccc(Oc2ccc(Br)cc2)nc1)N1CCCCCC1 58369493 KYQKBJFOQIQNEW-UHFFFAOYSA-N 375.266 4.653 0 40 GJAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCO2 67297385 MSOZBPKKTMIMFL-BZZOAKBMSA-N 384.391 4.646 0 40 GJAB CC(C)(C)c1ccccc1NC(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 72309806 JZJCAJLEQYZOPG-UHFFFAOYSA-N 388.475 4.521 0 40 GJAB O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Cl)c1 89827798 RFKXVCFYHXVFER-OAQYLSRUSA-N 396.899 4.880 0 40 GJAB O=C(C1[C@H]2CCCC[C@H]12)N(Cc1cccc(F)c1)Cc1ccc2c(c1)OCO2 100730971 DUAGRDVDWHWIBB-OALUTQOASA-N 381.447 4.519 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)C[C@H](c2ccccc2)C1 102709629 JUFNTDMMAPEXIK-RBZFPXEDSA-N 378.382 4.622 0 40 GJAB CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1OCC 211506485 GSRDEFGDGAWXTE-PDGQHHTCSA-N 385.441 4.843 0 40 GJAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1C 224370736 RYGIXZPAYRETPQ-UHFFFAOYSA-N 389.495 4.945 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224428960 HJBVXCAOROECAZ-PMACEKPBSA-N 394.519 4.954 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1Cl 224947583 NKRJYFZBPYOHDB-RTBURBONSA-N 399.903 4.822 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cccc(-c3ccc(C(=O)O)cc3)n2)C1 257204199 ATMDDJNBYQZDEP-QGZVFWFLSA-N 382.460 4.561 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 408557781 NZPYFQAZEUSXPD-UHFFFAOYSA-N 397.496 4.774 0 40 GJAB Cc1c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cccc1C(=O)O 408619675 GYAGCRNVNHPCFP-UHFFFAOYSA-N 398.871 4.627 0 40 GJAB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccco1 408628905 XVRUXLDRCPGOHH-UHFFFAOYSA-N 396.859 4.603 0 40 GJAB Cc1cccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)c2)c1 408720983 CFTGVDCGLBSAIF-DVECYGJZSA-N 391.467 4.530 0 40 GJAB CCc1cccnc1NC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 506009321 RFVKFNQILLQFMI-UHFFFAOYSA-N 398.466 4.758 0 40 GJAB Cc1ccc(CN2C(=O)CC[C@@]23CCCN(Cc2sc(C)nc2C)CC3)cc1 585100734 UYFFINDMWBNBDM-HSZRJFAPSA-N 397.588 4.616 0 40 GJAB C[C@H]1CC[C@H](C(=O)N2CCc3sc(COCc4cccnc4)cc3C2)CC1 1565553967 IEWGNALMFBPABD-SAABIXHNSA-N 384.545 4.571 0 40 GJAB COc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1OC 812043 BXOJOXOUTRYKMR-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB Cc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 1377613 ZNKVDBASFUVEAO-FGZHOGPDSA-N 379.573 4.867 0 40 GJAB Cc1ccc(C)c(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccco2)c1 1377728 SZKFQMLYXCHMDH-RTBURBONSA-N 383.561 4.769 0 40 GJAB Cc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccccc34)c(Cl)cc12 2118642 PBMMHXFZUTVOJZ-UHFFFAOYSA-N 395.842 4.817 0 40 GJAB biogenic COc1cccc(-n2ccnc2SCC(=O)Nc2c(C)cc(C)cc2C)c1 2723156 ZWKCJTZWMXNCTM-UHFFFAOYSA-N 381.501 4.537 0 40 GJAB CCOc1ccc(Cc2nc3c4c(CC)c(C)sc4ncn3n2)cc1OCC 2808824 OJTSPHDOXLPPEG-UHFFFAOYSA-N 396.516 4.598 0 40 GJAB Nn1c(Cc2ccccc2F)nnc1SC(c1ccccc1)c1ccccc1 3445336 SXGXDJBYVWYJBB-UHFFFAOYSA-N 390.487 4.604 0 40 GJAB O=C(C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)O)c1ccc(Cl)cc1 4118479 QDAYOEKOUYVBQZ-HXUWFJFHSA-N 393.870 4.745 0 40 GJAB O=C(Nc1c(Cl)cc(Cl)cc1C(=O)NCc1ccccc1)c1ccco1 4164607 WQHMIKKVTSDWIN-UHFFFAOYSA-N 389.238 4.769 0 40 GJAB Cc1nc(SCCOc2ccc(Cl)cc2)nc(O)c1Cc1ccccc1 4626372 OWSMUHWTSGNRAY-UHFFFAOYSA-N 386.904 4.906 0 40 GJAB C[C@H](CC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccccc1 4696197 HQUCKAJDZJHCEO-CYBMUJFWSA-N 387.892 4.903 0 40 GJAB C[C@H]1CCCCN1C(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 4936341 JBFHKBRPDNGFEG-KRWDZBQOSA-N 391.540 4.714 0 40 GJAB CCCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 5965630 MGMDGDIJTYZASL-ACJLOTCBSA-N 389.521 4.751 0 40 GJAB COc1ccccc1N1C(=O)/C(=C\Nc2cccc(C)c2C)c2ccccc2C1=O 6207456 PJBRLGFJNWFRLV-HKWRFOASSA-N 398.462 4.952 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 6248263 WKEIUSUGCVYODT-IAGOWNOFSA-N 392.474 4.801 0 40 GJAB Cc1ccc2nc(-c3cc(Br)c(N)c(Br)c3)oc2c1 6276199 RDWSWJPOMGPJBH-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB CC(C)CC[C@H](C)N/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 6887467 GTJRZYCHIYIBQH-LUJYGJGBSA-N 376.500 4.624 0 40 GJAB aggregator Cc1cc(C)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 7036857 PKBRMZAXTDJNDM-UHFFFAOYSA-N 377.469 4.564 0 40 GJAB CSc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3cccs3)nc12 7599743 JOXONONBTZSSFV-GFCCVEGCSA-N 390.555 4.906 0 40 GJAB C[C@@H](NC(=O)CN(Cc1ccco1)Cc1ccco1)c1cccc2ccccc12 7727082 OMZOGCAXNMLEGC-GOSISDBHSA-N 388.467 4.905 0 40 GJAB Cc1ccc(C2=Nn3c(C[C@H](C)c4ccccc4)nnc3S[C@@H]2C)cc1C 7735530 YFWJMICBAZJTKB-DLBZAZTESA-N 376.529 4.988 0 40 GJAB COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccc(C)c(C)c2)cc1OC 9054602 SYCDAJUFAOFEOL-RUZDIDTESA-N 389.495 4.769 0 40 GJAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2C)cc1 9358777 FPIIFIGRZPODOH-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Cc1ccccc1-c1noc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 9484315 MLJJOPAXUZSQIX-IBGZPJMESA-N 391.471 4.543 0 40 GJAB CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCc1ccccc1F 9582507 WQYPZPADCQYIQR-UHFFFAOYSA-N 398.507 4.527 0 40 GJAB CCc1cccc(C)c1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10508136 OTGBPHJMUKZYSO-UHFFFAOYSA-N 386.499 4.941 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](NCc2nc3ccccc3n2C)c2ccccc2)c1 12580672 FVKTYOBVPFOAMQ-XMMPIXPASA-N 398.510 4.660 0 40 GJAB Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 12814992 IVTFHDWJVMJBPE-XSXQVXRUSA-N 384.545 4.975 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)c1cccc(OCc2cscn2)c1 12889847 GGLMJQCVZRSBBE-UHFFFAOYSA-N 393.295 4.959 0 40 GJAB O=C(CSCc1csc(-c2ccc(F)cc2)n1)NCc1cccs1 12928161 TYYPCXSNNARLKM-UHFFFAOYSA-N 378.519 4.560 0 40 GJAB CCC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)N1CCC[C@@H](C)C1 13561743 BEXJYLKRNFENCW-RHSMWYFYSA-N 395.473 4.658 0 40 GJAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N[C@@H](C)Cc3ccco3)cc2s1 13692394 JISOPDDUCVLBHE-ZDUSSCGKSA-N 379.485 4.658 0 40 GJAB O=C1C[C@@](/C=C/c2ccccc2)(C(=O)NC2CCCC2)N1c1ccc(Cl)cc1 15413590 QIWUOSOCFHHRAL-NSFRLNINSA-N 394.902 4.588 0 40 GJAB C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(-n2ccnc2)cc1 18047667 RWJZZVHOMMDKSD-INIZCTEOSA-N 384.483 4.723 0 40 GJAB O=c1oc2ccc(Cl)cc2n1[C@H]1CCCN(Cc2ccc3ncccc3c2)C1 19347037 SPSFKXNAMCNMKT-SFHVURJKSA-N 393.874 4.633 0 40 GJAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccccn3)no2)cc1OC 19561514 JGNCNXOWDSWWIT-HXUWFJFHSA-N 393.487 4.871 0 40 GJAB Cc1ccccc1-n1nc(C)c(-c2cncn2C[C@@H](C)N2CCCCC2)c1C 19719671 IPFRFNWPEFGJEF-GOSISDBHSA-N 377.536 4.535 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccccc1F 20047819 HLQSKPFTENQUSA-IBGZPJMESA-N 375.509 4.650 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)cc2cccnc12 22994166 HCILYYZOKGSWJW-FQEVSTJZSA-N 391.858 4.791 0 40 GJAB CCCCn1nc(C)c(C(=O)N[C@H](C)c2ccccc2Br)c1Cl 23525898 WGSMOUZJEAPZJY-LLVKDONJSA-N 398.732 4.899 0 40 GJAB O=C(Cc1csc(-c2cccs2)n1)NCCCn1ccc2ccccc21 24347892 NGLZHBCYPWAGKT-UHFFFAOYSA-N 381.526 4.575 0 40 GJAB COc1ccc(OC)c(CN(C(=O)c2cc3cc(C)ccc3nc2C)C2CC2)c1 25808633 OSSCFZWAPCXJPJ-UHFFFAOYSA-N 390.483 4.674 0 40 GJAB O=C(CCC1CCCC1)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 27724456 YPVDCFHBMHQBBJ-UHFFFAOYSA-N 398.434 4.716 0 40 GJAB COc1cc(C)ccc1OCC(=O)Nc1nc(-c2cc(C)ccc2C)cs1 28856037 GPSBNCBPIMQTBI-UHFFFAOYSA-N 382.485 4.761 0 40 GJAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)c(Cl)c1Cl 30758033 PHDNVCWYRDNTIR-GFCCVEGCSA-N 388.316 4.658 0 40 GJAB COc1ccccc1C(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 32622696 DKQYMDHFKPUBGD-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nc(C(C)(C)C)n[nH]2)c1 32883990 HXMQLBGZZMPFIN-UHFFFAOYSA-N 394.544 4.736 0 40 GJAB Cc1nc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)n(C2CC2)c1C 32894114 QRNQNXCVKMFJLG-NOCBQHASSA-N 387.593 4.648 0 40 GJAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(Cc2ccccc2)C2CC2)s1 32908752 NFARYIZFTGRQDG-UHFFFAOYSA-N 380.488 4.991 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2cnccn2)cc1 40112529 SLIQDNUFNCYDOY-UHFFFAOYSA-N 383.835 4.718 0 40 GJAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1cccc(CN2CCCC2=O)c1 44488550 XSLXRLLTXMJESO-KRWDZBQOSA-N 394.515 4.513 0 40 GJAB Cc1cc2c(c([C@](O)(c3nc4ccccc4s3)C(F)(F)F)c1)NCCC2 48252163 BBNITETYPOOAJO-SFHVURJKSA-N 378.419 4.761 0 40 GJAB O=C(c1ccccc1)C1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 56282727 IRJLYRVJLUYMCF-UHFFFAOYSA-N 377.406 4.723 0 40 GJAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N(Cc1cccs1)C1CC1 58005331 WDILEEHCJIKTKI-UHFFFAOYSA-N 390.814 4.542 0 40 GJAB Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nc(-c3cccs3)no2)cc1 61997307 SYGLHVZEVZDIEJ-GOSISDBHSA-N 389.480 4.820 0 40 GJAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)n2)cc1 64580029 VBUNYNSMVRUTSS-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB Cc1cc(F)ccc1/N=c1\oc2ccccc2cc1C(=O)NCc1ccco1 67295537 FZNJSOCUXQJPSS-LVWGJNHUSA-N 376.387 4.636 0 40 GJAB CCn1ccnc1CN1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72350300 MQAXSJIWMXCYQG-IBGZPJMESA-N 394.950 4.922 0 40 GJAB CCc1cccc(CC)c1NC(=O)CN1CC=C(c2cccc(OC)c2)CC1 89289541 OLOBSDTUYPWVQB-UHFFFAOYSA-N 378.516 4.548 0 40 GJAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(-c3cc[nH]c(=S)n3)c2)n1 91695782 KPMRXIVBSPCLRZ-UHFFFAOYSA-N 376.407 4.953 0 40 GJAB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc1OCC 95534596 OHZIIULLQBYFAF-FQEVSTJZSA-N 394.519 4.615 0 40 GJAB C[C@H](CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccc(OC(C)(C)C)cc1 95627582 RJOJJTDMJJLFBO-YLJYHZDGSA-N 395.499 4.948 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)c(C)c1 102529149 REGXRVDFLBOUBR-UHFFFAOYSA-N 397.478 4.800 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 118925915 WMUMZOAFCDOTRW-QTBISBDZSA-N 390.564 4.686 0 40 GJAB CC[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(C)c(C)c1 218819251 CZVUTERTWSHAQG-GOSISDBHSA-N 376.294 4.712 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)COc3ccc(C(C)(C)C)cc3)s2)cc1 224223891 SSFHZODRZUFIID-UHFFFAOYSA-N 381.501 4.829 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC2CSC2)cc1 224991035 PFUFAZMKMNUJHL-UHFFFAOYSA-N 377.893 4.630 0 40 GJAB CCOC(=O)c1c(NC(=O)Cc2cccc(Cl)c2)sc2c1CCCC2 225310234 RHWZSZSGJRUARF-UHFFFAOYSA-N 377.893 4.638 0 40 GJAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225731248 KNOUVKACOMHWQV-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCOCC)nc1 225906508 QRSWAURJSJHASP-UHFFFAOYSA-N 394.556 4.693 0 40 GJAB CCCCC(=O)N1CCC[C@H]1c1ccc(C(=O)O)c(CCc2ccc(F)cc2)n1 257236815 HDWVGVADLYONJH-NRFANRHFSA-N 398.478 4.558 0 40 GJAB COC1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCCCCC1 260816720 OAZWJTUCPRYOBI-LJQANCHMSA-N 388.552 4.618 0 40 GJAB O=C(Nc1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408696708 DSLJDRPWBHSDEX-UHFFFAOYSA-N 392.821 4.979 0 40 GJAB CCC(=O)N[C@@H](C(=O)N1CC=C(c2cccc3ccccc23)CC1)c1ccccc1 589474811 YPQNSLVQEVHHGD-RUZDIDTESA-N 398.506 4.723 0 40 GJAB C[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)[C@H]1CCOC1 607847762 IPZFBJONDVTWTJ-HOCLYGCPSA-N 398.453 4.587 0 40 GJAB NC(=O)c1ccc(-c2ccc([C@H]3CCCCN3Cc3ccc(F)cc3)cn2)cc1 607855223 AXDYCHRDUCMCPY-HSZRJFAPSA-N 389.474 4.714 0 40 GJAB COC(=O)c1ccc(NC(=O)[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1 866611 IESQZBKVTZQSOF-OOMBGRCJSA-N 383.447 4.709 0 40 GJAB O=C(Nc1ccc(Cl)cc1)c1ccc(CSc2ncccc2C(=O)O)cc1 1085558 NGCGIHMNHFVTRG-UHFFFAOYSA-N 398.871 4.978 0 40 GJAB COc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OCc1ccccc1C 2082338 KUUSSPHZHHCSAJ-KGENOOAVSA-N 399.446 4.927 0 40 GJAB CSc1nc(SCCO)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2413919 JKURERVOKPNLRR-UHFFFAOYSA-N 391.587 4.658 0 40 GJAB COc1cc(CCC(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1OC 2622411 IZSCQPJTFBKCSR-UHFFFAOYSA-N 384.259 4.591 0 40 GJAB CCCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 2624558 XXTOWKBXOAVHDR-ZDUSSCGKSA-N 396.468 4.781 0 40 GJAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccccc1 3239995 CYRPZNLZOLVKKM-UHFFFAOYSA-N 392.509 4.727 0 40 GJAB aggregator COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 3256739 WWPWCFPSMFCAKM-UHFFFAOYSA-N 392.480 4.750 0 40 GJAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccccc1Cl 3302046 HYXBLPVEVYSDOS-UHFFFAOYSA-N 395.842 4.606 0 40 GJAB CCOc1cc(C)c(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1C(C)C 3667781 NUDKBJJOYJEONI-UYRXBGFRSA-N 386.561 4.907 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)c(C)c1 4191047 GWBJCYLOJFFRKL-UHFFFAOYSA-N 376.485 4.539 0 40 GJAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2OC32CCCCC2)cc1 4715973 UHBDZNBOWUIIOP-NRFANRHFSA-N 378.472 4.908 0 40 GJAB CCc1ccc(-c2csc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5=C(C)C)[C@@H]4C3=O)n2)cc1 4893349 TWJGMHCAJOYFQT-JSJNYSNDSA-N 392.524 4.854 0 40 GJAB CCCCN(C(=O)c1ccccc1OC)c1nnc(-c2ccccc2C)s1 4982413 VQBRWQYSSKXRJC-UHFFFAOYSA-N 381.501 4.969 0 40 GJAB CC(C)(c1ccccc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 5632671 DEWXRCRCTHMYAO-SNDHGLFQSA-N 393.486 4.814 0 40 GJAB COc1cc(O)c(-c2ncnc(C(F)(F)F)c2-c2csc(C)n2)cc1C 5959665 LQLBRJIBKCXLOG-UHFFFAOYSA-N 381.379 4.617 0 40 GJAB O=C(/C=C/c1ccccc1)Nc1ccc(Br)cc1Br 6337414 MGXGOZKGYRIKRW-RMKNXTFCSA-N 381.067 4.864 0 40 GJAB CC(=O)Nc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)cc1 6478813 YZVBRQKGOIYABE-HAHDFKILSA-N 396.446 4.681 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3cccs3)cs2)cc1 6886523 ORQNZIYIDJJOFE-UHFFFAOYSA-N 386.498 4.872 0 40 GJAB Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 6961499 CQWNPMCTOOFIFP-LICLKQGHSA-N 392.842 4.938 0 40 GJAB CCc1ccc(CN(Cc2cccnc2)C(=O)[C@H](C)Oc2cccc(C)c2)cc1 7737537 DZWOWIMYWITRNK-FQEVSTJZSA-N 388.511 4.949 0 40 GJAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 7795716 XZMZENAEYDEPNP-UHFFFAOYSA-N 399.899 4.514 0 40 GJAB CC(=O)Nc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 7884738 BCKFRBCMQFSGSK-NRFANRHFSA-N 375.403 4.555 0 40 GJAB COc1ccc(CNC(=O)[C@@H](C)SCc2ccc(C(C)C)cc2)cc1OC 9256594 FPINPAWIXBMZQI-MRXNPFEDSA-N 387.545 4.765 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 9375998 IMBDITZLZIMNLG-UHFFFAOYSA-N 384.530 4.938 0 40 GJAB O=C(CCc1ccccc1Cl)Nc1ccc(I)cc1 10457577 ZQQCQQRCNCGQAC-UHFFFAOYSA-N 385.632 4.516 0 40 GJAB CCCc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 10937396 LDTPAGGDQQOYJY-UHFFFAOYSA-N 379.485 4.529 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n23)c1 11903169 RMJXRIAHPFVARM-UHFFFAOYSA-N 390.512 4.847 0 40 GJAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3c(C)noc3C)on2)cc1 12120257 BFYRZDAKBWVGIU-IBGZPJMESA-N 395.459 4.713 0 40 GJAB COc1cc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)nc(C)n1 12225260 YFPCENAFAMAOJL-UHFFFAOYSA-N 386.814 4.582 0 40 GJAB c1ccc(-c2nn3c(-c4cc(-c5ccco5)[nH]n4)nnc3c3ccccc23)cc1 12323655 PEKWAUPTAABVIV-UHFFFAOYSA-N 378.395 4.595 0 40 GJAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc(Cl)c1Cl 12514189 YCXZCEPJHMQYEK-GFCCVEGCSA-N 392.286 4.559 0 40 GJAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)cc1 12653212 WYZZAPAQRZAYTQ-CQSZACIVSA-N 379.485 4.621 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(-c2ccccc2)cc1 12799536 GHFQYBQTHUKJCE-OAQYLSRUSA-N 376.525 4.982 0 40 GJAB CCOc1ccc(-c2cc(C(=O)NCc3ccncc3)c3ccccc3n2)cc1 13208378 AXKKYQFDMDAIGJ-UHFFFAOYSA-N 383.451 4.626 0 40 GJAB C[C@H](NCc1sc2ccccc2c1Cl)c1ccc(S(C)(=O)=O)cc1 14241434 ZMFUWAMMRBTYHE-LBPRGKRZSA-N 379.934 4.809 0 40 GJAB COc1ccc(NC(=O)c2cc(N3C[C@H](C)C[C@@H](C)C3)nc3ccccc23)cc1 18173558 GOWWGNCXZGMPDC-IAGOWNOFSA-N 389.499 4.978 0 40 GJAB C[C@@H](Sc1nc2c(n1-c1ccccc1)CCCC2)C(=O)NCc1cccs1 21604476 CPJFJCNCQJCVOS-OAHLLOKOSA-N 397.569 4.610 0 40 GJAB O=S(=O)(Nc1nc2ccc(F)cc2s1)c1cc(Cl)ccc1Cl 28248299 LRPKXIPQYFQRQI-UHFFFAOYSA-N 377.249 4.543 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)c1 30560768 DGEZEASZIOZLOH-GFCCVEGCSA-N 382.287 4.821 0 40 GJAB O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1ccc2ccccc2c1 32095797 SALSHFGTTCCGHA-UHFFFAOYSA-N 379.419 4.973 0 40 GJAB Cc1cc(C)cc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)c1 36293455 OEDUEPIYJRPYJZ-UHFFFAOYSA-N 393.512 4.516 0 40 GJAB CCn1cc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 36613013 CCDFNZRIXBXVSZ-HMXCSLFKSA-N 392.543 4.828 0 40 GJAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Cl)c(Cl)c1 38500782 NTQXLQWNJLBRGE-UHFFFAOYSA-N 394.233 4.969 0 40 GJAB Cc1ccc(CN2CCC(C(=O)NCCCc3ccccc3Cl)CC2)cc1 39751578 GIZDWTRMSKEZQD-UHFFFAOYSA-N 384.951 4.609 0 40 GJAB Cc1cccnc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 40143951 XLNQARBGOGGZSJ-UHFFFAOYSA-N 387.233 4.577 0 40 GJAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478420 RKLNMYKNFPRNIG-UHFFFAOYSA-N 379.769 4.679 0 40 GJAB CCCc1cc(=O)n2c3ccccc3n(Cc3cccc(C(F)(F)F)c3)c2n1 40484665 XMBNWTNIHHGOQI-UHFFFAOYSA-N 385.389 4.669 0 40 GJAB CCCCC(=O)Nc1c(C)c(Br)c(N)c(Br)c1C 45890791 AVKFYZSOCGTYMU-UHFFFAOYSA-N 378.108 4.539 0 40 GJAB CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2csc(-c3ccccc3)n2)cc1 58132840 XDJUYPVARIHJIY-QGZVFWFLSA-N 393.556 4.811 0 40 GJAB COc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1F 58313310 ZNLSDBWUHXHTMR-UHFFFAOYSA-N 394.233 4.638 0 40 GJAB CNc1nc2c(s1)[C@@H](c1cccc(OCc3ccc(Cl)cc3)c1)CC(=O)N2 66091360 YEQUNSXSDQVPSY-MRXNPFEDSA-N 399.903 4.891 0 40 GJAB O=C(C1CC1)N1CCCCC[C@H]1C1CCN(c2nc3ccccc3s2)CC1 69968894 DJZGBSMOSPFTAI-IBGZPJMESA-N 383.561 4.694 0 40 GJAB Cc1csc(-c2nnc(NC(=O)C3c4ccccc4Oc4ccccc43)o2)c1 70635606 RAXLZOOUZVTCTL-UHFFFAOYSA-N 389.436 4.983 0 40 GJAB Cc1ccccc1NC(=O)NCC1CCN(c2nc3ccccc3s2)CC1 70931876 CQADANFWADRJJT-UHFFFAOYSA-N 380.517 4.643 0 40 GJAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1cccc(Cl)c1 71326490 VPUSVXXCWXZCCJ-UHFFFAOYSA-N 385.920 4.690 0 40 GJAB CSCc1nnc(S[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)o1 79024327 BQPFNAUAPATUEL-MRXNPFEDSA-N 396.497 4.864 0 40 GJAB O=C(Nc1nc(-c2cccnc2)cs1)c1csc(Cc2ccccc2F)n1 95960138 HUBZSBMCQNTBLZ-UHFFFAOYSA-N 396.472 4.644 0 40 GJAB CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 96053307 NCYUHKXZIUUONS-GOSISDBHSA-N 398.572 4.564 0 40 GJAB Cc1cc(F)ccc1NC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 107102462 KMMZFBRTOUAIEE-UHFFFAOYSA-N 398.747 4.639 0 40 GJAB O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 207969942 KKCQXQYNRGIIEX-RWENRRORSA-N 381.541 4.662 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 223208064 SYSRMNAEXOMXAF-AUUYWEPGSA-N 391.895 4.700 0 40 GJAB Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)CC2)cc1 223224090 MEFGYOBTHRPWEC-IBGZPJMESA-N 376.544 4.573 0 40 GJAB COc1ccc(CSCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 223432940 AFBPLKPOBPITDT-UHFFFAOYSA-N 378.497 4.553 0 40 GJAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)Cc1ccc(Cl)cc1 224336805 JWZUAXWXEDZJPE-UHFFFAOYSA-N 385.826 4.859 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccccc2CN2CCCCC2)cc1 224849776 VQVDKYCHRDOKPG-DEOSSOPVSA-N 394.559 4.709 0 40 GJAB CCOc1cccc(NC(=S)NCCSCc2cccc(Cl)c2)c1 225300067 MROMUUQAVNUGAE-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225516186 PEWWKRQTILITKU-GOSISDBHSA-N 395.572 4.620 0 40 GJAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)C1 225730943 LGPKSFCGFDXLKT-QZTJIDSGSA-N 389.609 4.662 0 40 GJAB O=C(O)CCc1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226342253 GEZWTQQFNSJRAX-UHFFFAOYSA-N 387.632 4.838 0 40 GJAB Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc(C(C)(C)C)cc3)nn12 227142802 KGFIFGNUTQYMTP-UHFFFAOYSA-N 388.500 4.773 0 40 GJAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccc(-c2ccsc2)cc1 244998623 KMTCETRZYJNINA-HXUWFJFHSA-N 398.553 4.528 0 40 GJAB O=C(Nc1c[nH]nc1-c1ccccc1F)c1csc(-c2ccc(F)cc2)n1 548078667 QICCVGMJFZQBJM-UHFFFAOYSA-N 382.395 4.731 0 40 GJAB CC(C)([C@@H](NC(=O)CC1CCCCC1)c1ccc(F)c(F)c1)N1CCCC1 1521672520 LBYVQNBEPSIMAW-NRFANRHFSA-N 378.507 4.967 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2N1c1ccc(F)cc1 1615157657 LQMSLMCWBVMQIV-KNQAVFIVSA-N 380.507 4.664 0 40 GJAB Cc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1C 1775975619 LAGDYEPVJVYKOT-ROUUACIJSA-N 381.524 4.592 0 40 GJAB CC(=O)c1oc2nc3c(c(C)nn3-c3ccccc3)c(-c3cccs3)c2c1N 642410 WODVOCWZUGSKPK-UHFFFAOYSA-N 388.452 4.988 0 40 GJAB CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c(O)cc12 653403 YHGFHBTXYJFDEN-UHFFFAOYSA-N 388.261 4.643 0 40 GJAB biogenic CC(C)(C)c1cc(OC(=O)c2ccccc2I)ccc1O 683030 BVCNCFJTHXAEML-UHFFFAOYSA-N 396.224 4.514 0 40 GJAB CSc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2C)cc1 709839 OYAAIWTWILYLQZ-UHFFFAOYSA-N 386.336 4.589 0 40 GJAB Cc1cccc(NC(=O)CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)c1 892319 ZSSPHEAIZVDIDK-UHFFFAOYSA-N 382.847 4.523 0 40 GJAB O=C(c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)N1CCOCC1 998597 ZUSFIWSBBRJAAE-UHFFFAOYSA-N 387.266 4.681 0 40 GJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(OC)c1)CO3 2120307 QDODUPCAUFHSNQ-UHFFFAOYSA-N 379.456 4.809 0 40 GJAB biogenic Cc1cccc(OCCOc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)c1 2180089 YPFWLCDKOQQBSL-HAVVHWLPSA-N 399.446 4.797 0 40 GJAB Cc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c(=O)o1 2316193 FMIUTCGQDKKOJC-UHFFFAOYSA-N 378.453 4.624 0 40 GJAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cccc(C(F)(F)F)c1 2653087 LXVFCYZFEUCCNE-UHFFFAOYSA-N 398.812 4.768 0 40 GJAB CC[C@@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(OC)cc1 2720793 GTJZGKQPQLHPJN-CYBMUJFWSA-N 379.485 4.766 0 40 GJAB COc1cc2c(cc1NC(=O)[C@@H](C)Nc1ccccc1CO)oc1ccccc12 3305736 FSTIDSDNELCRPX-CQSZACIVSA-N 390.439 4.526 0 40 GJAB COc1ccc(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 3322668 GKFJPKGACJNSLA-UHFFFAOYSA-N 387.391 4.543 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1c(F)cccc1Cl 3586879 MEEDOZLRWDQVJJ-UHFFFAOYSA-N 375.658 4.856 0 40 GJAB CCc1ccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2C)cc1 4556479 PNPHXCLJDZSGGG-UHFFFAOYSA-N 391.500 4.538 0 40 GJAB O=C(Nc1ccccc1F)C(=Cc1ccsc1)C(=O)Nc1ccccc1F 5131415 KHKHWSHDVSFDKM-UHFFFAOYSA-N 384.407 4.687 0 40 GJAB CCc1ccc(-c2n[nH]c(SCC(=O)c3cc(C)n(C4CC4)c3C)n2)cc1 5180482 YQFFNDYVOWHAMK-UHFFFAOYSA-N 380.517 4.762 0 40 GJAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 5242789 SUPZGXIFPZXXNH-MRXNPFEDSA-N 377.513 4.790 0 40 GJAB O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCc1cccnc1 5589217 RWFXCGGMIAVPGB-UHFFFAOYSA-N 395.025 4.750 0 40 GJAB Cc1sc2nc(SCC(=O)C(C)(C)C)n(-c3ccccc3)c(=O)c2c1C 6078611 PZGRBVIUGDSIKT-UHFFFAOYSA-N 386.542 4.771 0 40 GJAB CC(C)(C)c1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 6906434 XNHMGTQYYJMJDZ-UHFFFAOYSA-N 396.556 4.951 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 7988807 YBOBIINDBAQRAO-INIZCTEOSA-N 393.796 4.612 0 40 GJAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3)cc21 8959987 QUCXGFCPWMODAU-UHFFFAOYSA-N 380.488 4.737 0 40 GJAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 9660113 CHKSBNKMBNECJL-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB biogenic Cc1nc(-c2cccc(NC(=O)CCc3cnn(-c4ccccc4)c3)c2)cs1 9690909 QVEMZRSNQKRJSE-UHFFFAOYSA-N 388.496 4.876 0 40 GJAB COc1cc(CC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)ccc1C 10236902 ZZTHRZCMJUHCSX-UHFFFAOYSA-N 377.469 4.561 0 40 GJAB CCc1ccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)cc1 10272667 JAPPEPLNOOZWOA-UHFFFAOYSA-N 392.480 4.585 0 40 GJAB CN(Cc1cccs1)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 10276564 TWDDDHYUZUYQGZ-UHFFFAOYSA-N 387.508 4.932 0 40 GJAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(SC(F)(F)F)cc1 10773123 BVTYUXIPQYAYKQ-UHFFFAOYSA-N 394.418 4.577 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2 11903562 JEJHZPLEBDLSJW-UHFFFAOYSA-N 399.560 4.626 0 40 GJAB COc1ccc2c(C)cc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)nc2c1 12524982 XFLFPGDLQKQBES-UHFFFAOYSA-N 391.254 4.876 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCCSc2ccccc21 12562908 NYTOZZRKMVIJSR-HNNXBMFYSA-N 397.569 4.818 0 40 GJAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2C(C)(C)C)CC1 12780050 WQUQZLMYKMPMOC-UHFFFAOYSA-N 378.516 4.783 0 40 GJAB CC(C)CC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12785569 UWOZIIAHMSJICH-GOSISDBHSA-N 375.394 4.833 0 40 GJAB Cc1cc(C)c(NC(=O)CNC(=O)Cc2ccc(-c3ccccc3)cc2)c(C)c1 12801396 NTSXVWGWYFQFIL-UHFFFAOYSA-N 386.495 4.576 0 40 GJAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1 12874149 RVRZYQAOYWEUPW-IZZDOVSWSA-N 378.403 4.511 0 40 GJAB O=C(Nc1nc2ccccc2nc1N1CCCC1)C1(c2ccc(Cl)cc2)CC1 12879762 AXIQKSLAPITQNN-UHFFFAOYSA-N 392.890 4.554 0 40 GJAB Cc1nc(-c2ccco2)nc2sc(C(=O)N(C)Cc3cccs3)c(C)c12 13006430 KOFRXIAEQBGOOB-UHFFFAOYSA-N 383.498 4.902 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)C(C)(C)C)c(=O)[nH]c2c1 13749928 UDMRBPNATZGWDF-UHFFFAOYSA-N 382.891 4.931 0 40 GJAB COc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2C[C@@H]2CCCO2)cc1 13806040 ZDNAZDAPSBKPLL-LPNGOHTBSA-N 396.512 4.645 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 15079708 TWIUSQLABCKMJZ-UHFFFAOYSA-N 391.393 4.588 0 40 GJAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 16694484 GNTGYILKDFFUEV-UHFFFAOYSA-N 385.345 4.772 0 40 GJAB CSc1ccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 16833012 YKEWJVUIUUDQIB-UHFFFAOYSA-N 382.485 4.774 0 40 GJAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2Oc2ccccc2)c(C)c1 17960763 PBXGPTAICYXFBL-UHFFFAOYSA-N 388.467 4.773 0 40 GJAB COc1ccc(-c2nc(C(=O)N(C)[C@@H](C)c3ccccc3)cs2)cc1OC 18124945 PNRBFRQVWRSKAQ-AWEZNQCLSA-N 382.485 4.661 0 40 GJAB C/C(=C\c1ccccc1)C(=O)Nc1nnc(CCCOc2ccccc2)s1 20157338 IYXZHVFQOBFJOE-FOCLMDBBSA-N 379.485 4.592 0 40 GJAB COc1ccc(-c2csc(NC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1OC 20835916 QNMFCAQHKJKGQY-UHFFFAOYSA-N 398.528 4.982 0 40 GJAB Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)no2)cc1 21800511 OMXZOGXBWZBDBI-AWEZNQCLSA-N 385.851 4.721 0 40 GJAB COc1cc(NC(=O)[C@@H](C)SC2=Nc3ccccc3CS2)cc(OC)c1 22022166 YZKQVVXUAOYOCE-GFCCVEGCSA-N 388.514 4.699 0 40 GJAB CCc1cccc(C)c1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 23258522 YCSDUNMKAIVEBZ-UHFFFAOYSA-N 397.478 4.817 0 40 GJAB CC(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 25159093 QSCNPOYWPPOMGQ-GHTZIAJQSA-N 397.494 4.583 0 40 GJAB Cc1c(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)[nH]c2c1C(=O)CCC2 31383245 FXRRKUHOHTVMEA-QGZVFWFLSA-N 386.495 4.793 0 40 GJAB Fc1cc(F)cc(Cc2nnc3sc(-c4ccc(F)c(Cl)c4)nn23)c1 32096735 OJQBUOMWEDDEPP-UHFFFAOYSA-N 380.782 4.514 0 40 GJAB CCN(Cc1ccc(Br)s1)C(=O)c1cccc2ncccc12 32901218 RHLGLKAIUQYIPU-UHFFFAOYSA-N 375.291 4.721 0 40 GJAB Cc1ccc(Nc2nc(-c3nnn(-c4ccc(C)c(F)c4)c3C)ns2)cc1C 33302132 JUFBQQQRFLAYAV-UHFFFAOYSA-N 394.479 4.902 0 40 GJAB O=C(Nc1ccc2cc[nH]c2c1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 40267783 MHWGFJXBNMHQOP-UHFFFAOYSA-N 394.814 4.606 0 40 GJAB Cc1ccc(-c2noc([C@H](C)OC(=O)c3cc(C)n(C4CC4)c3C)n2)cc1F 48300218 WCPVIUCLCRAKEV-AWEZNQCLSA-N 383.423 4.855 0 40 GJAB Cc1ccc2c(Nc3ccc(Cl)cc3)c(C(=O)N3CCSCC3)cnc2n1 49004877 ILGJHYHSWAPWKQ-UHFFFAOYSA-N 398.919 4.524 0 40 GJAB COc1ccc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cc1 57774521 RQNPRJFFMCZSCU-UHFFFAOYSA-N 389.421 4.970 0 40 GJAB CC[C@H]1c2ccsc2CCN1CC(=O)NC[C@@H](C)c1nc2ccccc2s1 58006450 ZIBIHIGPKKFFOA-PBHICJAKSA-N 399.585 4.587 0 40 GJAB COc1ccc(CN(C)Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)cc1OC 58159102 DUIZTSVNOJGIFE-UHFFFAOYSA-N 395.499 4.874 0 40 GJAB CC(=O)Nc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)c1 59251801 ULVVEFRPUWIQRM-UHFFFAOYSA-N 390.487 4.689 0 40 GJAB COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 59743532 NBMIUIVVLSVUKR-LBPRGKRZSA-N 397.418 4.920 0 40 GJAB O=C(c1ccncc1)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349178 LSZLDIOVRLZPEX-LJQANCHMSA-N 391.902 4.741 0 40 GJAB Cc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(NC3CCCCC3)n2c1 73295257 ITCJJNJMYCQGTM-UHFFFAOYSA-N 390.531 4.891 0 40 GJAB in-vitro Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)n1 79488582 KEHVRACCIKRFSP-NRFANRHFSA-N 391.515 4.537 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1 89618507 UOQYSAMZKUSTLT-QGZVFWFLSA-N 389.499 4.601 0 40 GJAB Fc1cccc(Cl)c1[C@@H](CNc1nccc(C(F)(F)F)n1)N1CCCC1 89768031 LKDAOLCBPQYJKM-CYBMUJFWSA-N 388.796 4.537 0 40 GJAB Cc1ccc([C@H](C)NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 95369422 GZBXONWEDAYYST-AWEZNQCLSA-N 397.466 4.668 0 40 GJAB CSCC[C@H](NCCCc1cccc2ccccc12)c1nnc2ccccn12 95941206 FRUCLZZDJDCFHZ-NRFANRHFSA-N 390.556 4.899 0 40 GJAB Fc1ccccc1-c1ccc(CNCc2ccc(CN3CCOCC3)cc2)s1 96997875 HUUODMXBPSGUQE-UHFFFAOYSA-N 396.531 4.676 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@H](CC)C2 100631280 JZDDWFWBEDLKSG-NHIYQJMISA-N 375.534 4.814 0 40 GJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 102252937 ZZFHFFUXAZDPBV-LLGFUMIMSA-N 381.472 4.577 0 40 GJAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4C)CC3=Nc3ncnn32)cc1 102663388 LZTXVHVEHHLRKN-KSFYIVLOSA-N 386.455 4.660 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118914776 WMUMZOAFCDOTRW-FWDAYRDVSA-N 390.564 4.686 0 40 GJAB COc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222723563 DNGUIGUQRBDGJH-UHFFFAOYSA-N 398.355 4.984 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 222800996 CQXIMUKRJZNRQM-MOPGFXCFSA-N 381.526 4.818 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 222971233 RBVCJJPIGGUCNE-WOJBJXKFSA-N 397.515 4.888 0 40 GJAB CC[C@@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc2c(c1)CCCC2 223138586 UNIBRROIPJQAMD-OAQYLSRUSA-N 387.545 4.620 0 40 GJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 223204252 DCNSSAMZGCBHAK-INIZCTEOSA-N 389.948 4.685 0 40 GJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224416854 MIZVHWHSSFEEJM-OAHLLOKOSA-N 375.896 4.600 0 40 GJAB CSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 224842706 YYAWLBDMGKLJFO-JXAWBTAJSA-N 394.521 4.880 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 225510944 IJKYMZYCXLKZSJ-OAQYLSRUSA-N 390.508 4.858 0 40 GJAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225607438 KNKNMKHCVSYEPN-QHCPKHFHSA-N 390.568 4.577 0 40 GJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225619506 PSZQRTNFQCNAJS-CVDCTZTESA-N 390.568 4.864 0 40 GJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccccc2)c1 225633493 XWTJPUAOANELQF-VKZJTJHYSA-N 390.508 4.705 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(Cl)c1 225685543 NHFPZIOBTRGEEV-INIZCTEOSA-N 376.909 4.937 0 40 GJAB O=C(/C=C/c1ccccc1Cl)N1CC[C@@H](Oc2cccc3cccnc23)C1 225704855 PJDZEQKJDWZNFM-DOJUMQAQSA-N 378.859 4.581 0 40 GJAB CCCO[C@]1(C(=O)Nc2ccc(OCC)c(C(=O)OCC)c2)CCC[C@H](C)C1 225853929 LXHMXDUWQVWUQO-KSFYIVLOSA-N 391.508 4.576 0 40 GJAB CO[C@@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1cc2ccccc2o1 253473658 WYLUOCVOUTUSMY-IBGZPJMESA-N 391.389 4.888 0 40 GJAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)cc2)cc1 408674608 ANGYMHIFYFMSRW-UHFFFAOYSA-N 388.398 4.575 0 40 GJAB FC(F)(F)C1(c2nc(-c3ccc(Oc4ccccc4)nc3)no2)CCOCC1 656747498 OFYFEHFTTGBCLJ-UHFFFAOYSA-N 391.349 4.534 0 40 GJAB COc1cc(-c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)ccc1OC(F)F 1505840476 QOHDGAJYMWQAIU-VIFPVBQESA-N 392.427 4.799 0 40 GJAB CC(C)c1ccc(CN2CCC3(CC2)CC(=O)N(C)Cc2ccccc2N3)cc1 1615529839 PEKUWNLOWVOSTK-UHFFFAOYSA-N 391.559 4.619 0 40 GJAB COc1ccc(-c2csc3nc(-c4ccccc4C)oc(=O)c23)cc1OC 798304 VEBTWDRDUOUDMO-UHFFFAOYSA-N 379.437 4.909 0 40 GJAB Cc1cc2cc(CN(C(=O)NC3CCCCC3)C3CCCC3)c(=O)[nH]c2cc1C 880546 ZZOQSWCNNAIQPP-UHFFFAOYSA-N 395.547 4.932 0 40 GJAB CCCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccccc34)ccc12 2147940 FQMIJDNRACLYHC-UHFFFAOYSA-N 389.451 4.807 0 40 GJAB biogenic CC(C)NC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N 2269680 MPKZNIKRGQKWMJ-UHFFFAOYSA-N 385.436 4.764 0 40 GJAB C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N(C)c1ccccc1 2645448 AVLSHADTBZNOSP-LBPRGKRZSA-N 388.493 4.564 0 40 GJAB CCc1c(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)csc1C 2755047 QFBBYQFYKGEOQI-UHFFFAOYSA-N 384.526 4.622 0 40 GJAB O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1cccc(F)c1 2917644 FESRHQPVBWOMCH-UHFFFAOYSA-N 379.869 4.728 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3)s2)cc1 3334828 MDOJBQSIJZDRIM-CQSZACIVSA-N 384.530 4.560 0 40 GJAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccnn1C1CCCC1 3351434 RQKJPZCMRLGNGV-UHFFFAOYSA-N 392.937 4.992 0 40 GJAB Cc1cccc(OCc2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)c1C 4857962 NEJLLJGHQOCHBV-UHFFFAOYSA-N 397.544 4.889 0 40 GJAB CCOc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1 5077582 MRDQWKDOJRWJTO-UHFFFAOYSA-N 393.512 4.507 0 40 GJAB CCc1nc(N2CCN(c3cccc(C)c3C)CC2)c2oc3ccccc3c2n1 5156504 DKQMOMWUUGURBD-UHFFFAOYSA-N 386.499 4.882 0 40 GJAB Cc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2C)cc1 5223357 LORCOAVHUVHVOB-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccccc2)N1CCc1ccccc1 5342305 XBEZHDSLNNPXJR-XMMPIXPASA-N 395.462 4.570 0 40 GJAB COc1ccc(Nc2cc(-n3ncc(C(C)=O)c3C)nc(-c3ccccc3)n2)cc1 5426759 FJVKMBCSAXNDEN-UHFFFAOYSA-N 399.454 4.593 0 40 GJAB C=CCn1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc21 6295899 OBBFYKDHRKMUIU-CIAFOILYSA-N 399.475 4.935 0 40 GJAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC 6882377 PIFQXIMZOFSTJE-QHCPKHFHSA-N 395.886 4.806 0 40 GJAB O=C(CNC1C2CC3CC(C2)CC1C3)Nc1ccccc1Oc1ccccc1 6968340 ZGOGAXAXNYMUBN-UHFFFAOYSA-N 376.500 4.832 0 40 GJAB COc1ccc(OC)c(N(CC(=O)c2ccc(C)cc2)C2=NCCCCC2)c1 8411366 MCUOWRGLRVDPFO-UHFFFAOYSA-N 380.488 4.674 0 40 GJAB COc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c(OC)c1 8706420 CCIFZPSHPLCAPM-UHFFFAOYSA-N 387.439 4.603 0 40 GJAB CC(=O)NCc1ccc(C(=O)CSc2nc(-c3ccc(C)cc3)cs2)cc1 8754964 FUJBWCVTRNXUKF-UHFFFAOYSA-N 396.537 4.730 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(NC(C)C)s1 8855977 DMVWPYQCHUMJAA-STQMWFEESA-N 378.567 4.991 0 40 GJAB CC[C@H](C)[C@H](C(=O)OCC(=O)Nc1cccc2ncccc12)c1ccccc1 9513710 LHFPSJMPZKYFQA-AOMKIAJQSA-N 376.456 4.546 0 40 GJAB CC(C)[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1 10857861 ZMPGKTPYTPLDAX-JOCHJYFZSA-N 384.907 4.523 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CSc1cc(-c2ccccc2)ncn1 12016837 FPKRMNHLVOCKPH-UHFFFAOYSA-N 385.876 4.536 0 40 GJAB CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 12111512 MOBRKGHNWGOUKA-UHFFFAOYSA-N 381.432 4.565 0 40 GJAB CC(=O)NC1(c2ccccc2F)CCN(Cc2[nH]c3ccc(C)cc3c2C)CC1 12344591 BTSMUFKYJRHFEH-UHFFFAOYSA-N 393.506 4.551 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1N1CCCCC1 12522280 WYBAWWGZYYAMBZ-UHFFFAOYSA-N 378.394 4.713 0 40 GJAB COc1cc(C(=O)N[C@H](C)c2cccnc2)ccc1OCc1ccccc1Cl 12558272 ABKJIGWNPPKZFP-OAHLLOKOSA-N 396.874 4.814 0 40 GJAB O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccccc2F)s1 12740010 LSWVBKJSNHRZEC-LCYFTJDESA-N 377.803 4.806 0 40 GJAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)no1 12820805 VBCAUHQKANAUAT-UHFFFAOYSA-N 378.215 4.516 0 40 GJAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(OC)c1 12856206 PEEZSWQJYHVNBL-JBVUFVISSA-N 394.496 4.690 0 40 GJAB CC(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628750 ZKLHTZVUQUCRMQ-UHFFFAOYSA-N 397.544 4.705 0 40 GJAB C[C@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 13784997 XZLIRISHXUWHPU-PIOKWQJESA-N 381.479 4.975 0 40 GJAB CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2cccc(C)c2)C1=O 15013720 QPOSUGUGUCXONK-KGENOOAVSA-N 386.451 4.640 0 40 GJAB COc1ccc(Cl)cc1-c1nn2c(-c3ccc(Cl)cc3)nnc2s1 15083091 HMDWIAHGZIXMAY-UHFFFAOYSA-N 377.256 4.835 0 40 GJAB CC[C@@H](C)Nc1nc(Nc2ccc(OC)cc2)c2cnn(-c3ccccc3)c2n1 17268819 WXCMCOPADIDFGI-OAHLLOKOSA-N 388.475 4.778 0 40 GJAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(N2CCCC2=O)cc1 17605361 RDUGEYJPUXKTNO-UHFFFAOYSA-N 388.920 4.978 0 40 GJAB Cc1ccc2occ(CN(CCCn3ccnc3)C[C@@H]3CC=CCC3)c(=O)c2c1 19219769 KAMYGRNFWDDCEJ-HXUWFJFHSA-N 391.515 4.547 0 40 GJAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)CC2CCCC2)n1 19525623 TVFIPINELZJFQL-LJQANCHMSA-N 396.535 4.945 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 19628990 VUGKNSVBFYJJQG-UHFFFAOYSA-N 384.819 4.819 0 40 GJAB O=C(c1cccc2cccnc12)N1CCCCC[C@H]2N[C@H](Cc3ccccc3)C[C@@H]21 19712930 CPUONECYRFVNJO-JRFVFWCSSA-N 399.538 4.593 0 40 GJAB Cc1cccc(CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 20459995 WZXAYEHVNUKFRI-UHFFFAOYSA-N 381.497 4.698 0 40 GJAB Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)cc1 22181517 HEAVEAOAPYSRLA-QGZVFWFLSA-N 399.498 4.874 0 40 GJAB COc1ccc(OC)c(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)c1 22739776 IUBOSGMSTBHURZ-UHFFFAOYSA-N 398.484 4.608 0 40 GJAB COc1cccc(Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c1 23126805 FLBGAQHMJSQPDI-UHFFFAOYSA-N 382.872 4.835 0 40 GJAB O=C(CSc1ccccc1Cl)N1N=C(c2ccco2)C[C@@H]1c1ccco1 23221234 SRTIOEQSYWYFHE-OAHLLOKOSA-N 386.860 4.996 0 40 GJAB Cc1cccc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)n1 24983808 VRRLVKPPVRGXMX-UHFFFAOYSA-N 380.757 4.500 0 40 GJAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 25280093 MSSYZOPYKZGNKK-GFCCVEGCSA-N 397.500 4.704 0 40 GJAB Cn1c(SCc2cccs2)nnc(Nc2cccc(Cl)c2Cl)c1=O 28536930 YSJPQPMIWLPTSO-UHFFFAOYSA-N 399.328 4.580 0 40 GJAB O=C(CSCc1ccc(Cl)s1)N[C@H](c1ccccc1)c1ccccn1 29713590 IBNWWBWOPUUGQW-LJQANCHMSA-N 388.945 4.936 0 40 GJAB COCc1cccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 32739227 NRXVTWNCCRYQGW-KRWDZBQOSA-N 388.467 4.576 0 40 GJAB Cc1cccc(OCC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 36393409 XGPWFCYCFCFDSC-GOSISDBHSA-N 388.467 4.504 0 40 GJAB CSc1ccccc1C(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 38678440 LCASMTDOYKEIQY-UHFFFAOYSA-N 396.537 4.581 0 40 GJAB Cc1cccc2nc(CSc3nnc(COc4ccccc4Cl)o3)cn12 40050156 KMBZWJKARQZDIJ-UHFFFAOYSA-N 386.864 4.550 0 40 GJAB Cc1cccc(NC(=O)[C@@H](C)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c1 40086183 JWKKFTWVBAXRPV-LJQANCHMSA-N 378.516 4.534 0 40 GJAB Cc1cccc(/C=C/c2ccnc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c23)c1 40388423 WUSPHQPWZJJBCA-SXSDINLZSA-N 394.478 4.880 0 40 GJAB Cc1cc(N2CCOCC2)ccc1NC(=O)N(Cc1ccc(Cl)cc1)C1CC1 47507553 TZKDMFVFJDFOIT-UHFFFAOYSA-N 399.922 4.682 0 40 GJAB CCOc1ccc(NC(=O)c2sc(Nc3ccccc3OC)nc2C)cc1 49403748 FJLRGIKKAZVBSD-UHFFFAOYSA-N 383.473 4.855 0 40 GJAB O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(Cn2ccccc2=O)o1 55381391 GGPQSEWFTCPAGQ-UHFFFAOYSA-N 386.407 4.534 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3NCC(F)(F)F)cc2)n1 60062983 WGGFHYZPJQTIQE-UHFFFAOYSA-N 388.393 4.716 0 40 GJAB O=C(Nc1ccccc1)c1cc(O)c(OCc2ccc(Cl)cc2Cl)cn1 61718650 HTDXVRYLZVKFFK-UHFFFAOYSA-N 389.238 4.925 0 40 GJAB Cc1cc(C)c(C(=O)Cn2nc(-c3ccc(CC(C)C)cc3)ccc2=O)c(C)c1 67206893 ZUBJGMSVVZVCPG-UHFFFAOYSA-N 388.511 4.917 0 40 GJAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2cccc(Oc3ncccn3)c2)S1 71286162 NHJPYXVTPZPVDL-INIZCTEOSA-N 381.461 4.638 0 40 GJAB CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 72104481 WAMUDHPMAVBTLB-UHFFFAOYSA-N 380.469 4.810 0 40 GJAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccccc1 82086719 ISQNHDOEGZMOPP-OAQYLSRUSA-N 377.488 4.579 0 40 GJAB CC(C)n1ncc2c(C(=O)Nc3cc(Cl)c(Cl)cn3)cc(C3CC3)nc21 95962657 FPQPUEUVIFQZJC-UHFFFAOYSA-N 390.274 4.844 0 40 GJAB CCSCc1ccnc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 95976920 PGQJYRHYXKUFLR-UHFFFAOYSA-N 397.525 4.901 0 40 GJAB CCCOc1c(CN2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2F)C3)cccc1OC 100765904 VYGCLWRWVIHNAC-RTBURBONSA-N 399.506 4.638 0 40 GJAB C[C@@]12CCC[C@H]1[C@H]1[C@H](CC2)[C@@]2(C)CCC3(C[C@@H]2CC12OCCO2)OCCO3 119182655 MPIRFQZGXWCVJD-CEGNMAFCSA-N 376.537 4.515 0 40 GJAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccccc1F 214380841 XKUKYZJLGUEXBU-OQLLNIDSSA-N 392.249 4.825 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1 216374819 TUJKCHRSXWNTEH-GFCCVEGCSA-N 382.685 4.667 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)CC(C)(C)O2 219059879 IREUZYKUQLWCIT-CXAGYDPISA-N 389.879 4.535 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 223705326 WMZJPOBYCIGTFX-HSZRJFAPSA-N 394.559 4.651 0 40 GJAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ncc(Cl)nc1Cl 223910487 VHGVVSQGVUILGI-UHFFFAOYSA-N 379.272 4.530 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)s2)cc1 225039093 LNTUDXDGRJJKQX-OAHLLOKOSA-N 393.512 4.798 0 40 GJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)o1 225334365 NFJFEDWNZOQGBO-NHCUHLMSSA-N 393.512 4.947 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(OC)cc2)ccc1Cl 225465966 MTENDNJTDXVYQN-GFCCVEGCSA-N 392.908 4.573 0 40 GJAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225583213 NRLWJRDBWHQHER-INIZCTEOSA-N 388.914 4.877 0 40 GJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cccnc1-c1ccncc1 225748999 JZSGQZDXCOJCBO-UHFFFAOYSA-N 386.282 4.699 0 40 GJAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2F)o1 226347924 SCEPOFKXNBULDA-UHFFFAOYSA-N 375.197 4.683 0 40 GJAB Cc1noc(C)c1-c1ccnc(C2CCN(Cc3nccn3C(C)C)CC2)c1 257267618 MIBRINYMNITADB-UHFFFAOYSA-N 379.508 4.510 0 40 GJAB CCCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1CC 408560101 APWFRGDPGOXTOT-UHFFFAOYSA-N 387.336 4.678 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSCC(=O)Nc1ccccc1Cl 408602481 ONYFDORAAGUYCI-UHFFFAOYSA-N 383.300 4.612 0 40 GJAB O=C(Nc1ccccc1F)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408679228 VLGXKICDMAKGFI-UHFFFAOYSA-N 376.362 4.706 0 40 GJAB Cc1ccc(-c2nnc(CN(C)C(=O)c3cc(Cl)ccc3Cl)o2)cc1 408713885 BZZKHFJIRIZXNM-UHFFFAOYSA-N 376.243 4.624 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)Oc2cccc(C(C)=O)c2)cc1 409177738 CKOZIJZCIMIJLA-UHFFFAOYSA-N 376.408 4.696 0 40 GJAB O=C(NCc1nc(-c2ccccc2F)cs1)c1c(Cl)cncc1Cl 508951456 QHZFIQBRFYMOSV-UHFFFAOYSA-N 382.247 4.581 0 40 GJAB C[C@@]12COC[C@@H]1CN(C(=O)c1oc3ccccc3c1CSc1cccs1)C2 618717574 JXAPONDBHMRCGP-LHSJRXKWSA-N 399.537 4.895 0 40 GJAB O=C(c1ccc2ccccc2c1)N1C[C@H]2CC[C@H]1[C@H]1CN(Cc3ccccc3)C[C@H]21 656408306 XDMMPDFTXPAWIC-XPGKHFPBSA-N 396.534 4.822 0 40 GJAB Cc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3F)n[nH]2)o1 1617957851 DTFWAAORQKDWJG-IBGZPJMESA-N 389.430 4.831 0 40 GJAB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1cccnc1 848961 MYNWGHHZUFRRGE-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB CCc1ccccc1NC(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12 903026 HBIMHSIYZYKJAF-UHFFFAOYSA-N 390.512 4.793 0 40 GJAB COc1cccc(Oc2coc3cc(OC(=O)c4ccccc4)ccc3c2=O)c1 1448032 QRHJNAQILDRQNB-UHFFFAOYSA-N 388.375 4.813 0 40 GJAB biogenic CCOc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 1918988 UOZRYPGACZXZKJ-UHFFFAOYSA-N 375.424 4.548 0 40 GJAB CCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(OCC)cc1 2720831 DVKHOMCEFCMSCY-UHFFFAOYSA-N 379.485 4.768 0 40 GJAB S=C(Nc1cccc(NC(=S)NC2CCCCC2)c1)NC1CCCCC1 3231685 GZUCHUOIAJCBOW-UHFFFAOYSA-N 390.622 4.925 0 40 GJAB COC(=O)c1ccc(OC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 3279649 QCAZAFKAEUTUIS-UHFFFAOYSA-N 396.826 4.925 0 40 GJAB COc1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c(OC)c1 3310912 SZGIGZASSKMQOK-UHFFFAOYSA-N 381.403 4.674 0 40 GJAB CCc1cccc2c(C(=O)[C@@H](Sc3nncn3C)c3ccccc3)c[nH]c12 3372050 GWNOGOWDGLPVIQ-FQEVSTJZSA-N 376.485 4.575 0 40 GJAB Cc1ccc(C)c(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)c1 3670652 GSDSTNAIOJQBFY-UHFFFAOYSA-N 382.268 4.926 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1C 4036352 VBBFLLUXCIKASS-UHFFFAOYSA-N 395.509 4.776 0 40 GJAB COc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2ccc(Cl)cc2)cc1 4088136 SGGDCSCFBBRUOI-FQEVSTJZSA-N 397.931 4.952 0 40 GJAB COc1cccc([C@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]23)c1OC 4151476 ZDNWPEVWMMJZJR-VNYYRURUSA-N 379.456 4.699 0 40 GJAB CCc1cc2cccc(C)c2nc1SCC(=O)NCc1ccc(OC)cc1 4849303 OOUALGUOIWJRJV-UHFFFAOYSA-N 380.513 4.523 0 40 GJAB CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1 4872518 DBHFERLVTUHYMQ-QGZVFWFLSA-N 384.442 4.755 0 40 GJAB Cc1ccc(-c2csc3ncnc(SCC(=O)NC4CCCC4)c23)cc1 5610386 QCJNLOBOTPUTTD-UHFFFAOYSA-N 383.542 4.818 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 6274717 CZQVDGUDHOJBAT-CQSZACIVSA-N 375.852 4.703 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2cccc(OC(F)F)c2)cc1OCC 6309255 JGJRIGFLIVJVMT-CYBMUJFWSA-N 379.403 4.576 0 40 GJAB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3F)cc1)S[C@H](C)C(=O)N2 6678713 HXLMOJZPMMKMDJ-BFUOFWGJSA-N 397.475 4.599 0 40 GJAB COc1ccccc1CNc1nc2ccccc2c2nc(-c3cccc(C)c3)nn12 6805522 SHOOWJZPLBXPCO-UHFFFAOYSA-N 395.466 4.874 0 40 GJAB CCOc1ccc(C(=O)CN(C2=NCCCS2)c2cccc(C)c2C)cc1 6870330 FOGITANXBZVGOJ-UHFFFAOYSA-N 382.529 4.884 0 40 GJAB CCCOc1ccc(Cc2c(C)[nH]c3ccc(Br)cc3c2=O)cc1 8927132 XQECDRGNBHGSQK-UHFFFAOYSA-N 386.289 4.979 0 40 GJAB CCCc1n[nH]c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)n1 9058049 KQHIFVLCMALXHL-IBGZPJMESA-N 396.516 4.546 0 40 GJAB Cc1cccc(CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 9062635 PZXWDVGJJCNGBE-UHFFFAOYSA-N 384.951 4.609 0 40 GJAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)c(C)c3)n3ccccc23)cc1 9316527 ZVHINRPXZVRUEY-UHFFFAOYSA-N 397.478 4.930 0 40 GJAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1cnn(-c2ccccc2)n1 9740461 HBDIDEYYMNLCRD-GAJHUEQPSA-N 395.466 4.595 0 40 GJAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 9912228 NVWCGMIDIKSGQL-UHFFFAOYSA-N 395.480 4.672 0 40 GJAB CSc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 10252271 NUBTUECWKJCOCN-UHFFFAOYSA-N 382.510 4.916 0 40 GJAB COc1cccc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)c1 12329809 DOROYULPWYXZSN-UHFFFAOYSA-N 380.498 4.949 0 40 GJAB Cc1cc(NC(=O)Cc2cccs2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442042 XLRAPMPESUBCNG-UHFFFAOYSA-N 398.488 4.686 0 40 GJAB Cc1nc2ccc(NC(=O)c3ccc(SCc4cscn4)cc3)cc2[nH]1 12575783 KFXKLQVQDOICKB-UHFFFAOYSA-N 380.498 4.872 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)COc3ccc(Cl)cc3)cc2)cs1 12621004 UKEVMERLNZMRSU-UHFFFAOYSA-N 386.904 4.510 0 40 GJAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccn1 12873660 AZAWERJRJLFVOX-UHFFFAOYSA-N 385.448 4.688 0 40 GJAB CN(Cc1ccc(Br)cc1)C(=O)c1ccc(Br)s1 13001642 VFAXHUDFJFHVSM-UHFFFAOYSA-N 389.112 4.545 0 40 GJAB CCOc1ccc(OCC)c2nc3c(cc12)CN(Cc1ccccc1)C[C@@H](C)O3 13563861 MXPFBBABWGJFSD-QGZVFWFLSA-N 392.499 4.815 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)NCCc1c[nH]c2ccc(F)cc12 13685192 LTNYRUXZZHZCOB-UHFFFAOYSA-N 379.460 4.711 0 40 GJAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 15956207 FWOFSGVAIHDXDD-RJCXXIGRSA-N 391.511 4.603 0 40 GJAB biogenic Cc1ccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cs2)cc1 17363034 JCNJGNWZGIMCAC-UHFFFAOYSA-N 391.540 4.513 0 40 GJAB Cc1ccc(C(C)C)c(OCc2nnc3n2N=C(c2ccccc2)CS3)c1 27298990 GWDMAANAIICUBI-UHFFFAOYSA-N 378.501 4.647 0 40 GJAB Cc1nccc(-c2cccc(NC(=O)c3ccc(F)cc3Br)c2)n1 31801872 WVOSAUZLXKOYTK-UHFFFAOYSA-N 386.224 4.606 0 40 GJAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1F 32103719 HCACARAEEJREIS-INIZCTEOSA-N 398.825 4.823 0 40 GJAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 32796624 NATNKUOFTKMGBC-KRWDZBQOSA-N 388.467 4.781 0 40 GJAB Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)cc1C 33291868 PZQJOWYYTCPKNX-UHFFFAOYSA-N 388.496 4.973 0 40 GJAB Oc1ccc(-c2nc3cnccn3c2Nc2ccc(Br)cc2)cc1 35615968 JWGHTNUJCNHBQY-UHFFFAOYSA-N 381.233 4.608 0 40 GJAB Cc1ccc(C(=O)Nc2nc(C)c(-c3nc(-c4ccc(F)cc4)no3)s2)cc1 35681808 ONSSOSXZVJNYQG-UHFFFAOYSA-N 394.431 4.868 0 40 GJAB CC[C@@H](CO)NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 36391867 MMRMFTFQAQPTCD-QHCPKHFHSA-N 391.511 4.705 0 40 GJAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCCC[C@@H]3C)c12 36616945 OOZDIPXCWVYWLP-INIZCTEOSA-N 388.515 4.680 0 40 GJAB C[C@H](NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)[C@@H]1CCCO1 36758242 WYVPAHPKCOCIIY-YJBOKZPZSA-N 378.497 4.774 0 40 GJAB CC[C@@H](C)c1ccc([C@@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)C(C)C)cc1 40057992 ZRZTXGNMVKUDDT-QRQCRPRQSA-N 394.515 4.535 0 40 GJAB O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(Br)s1 42205288 QFGJGCGHIZQKEC-UHFFFAOYSA-N 387.107 4.618 0 40 GJAB Cc1cccc(C)c1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 57486572 BYCICXZOYNFQHW-UHFFFAOYSA-N 390.418 4.600 0 40 GJAB Clc1ccc(-c2[nH]ncc2CN2CCN(c3ccccc3)CC2)c(Cl)c1 57547324 HYMCBYTYYMVFTC-UHFFFAOYSA-N 387.314 4.706 0 40 GJAB O=S(=O)(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccc2ccccc2c1 57733795 LEDLJKPVYJFWFE-UHFFFAOYSA-N 394.399 4.668 0 40 GJAB CCCCOc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)cc1 59294077 XMCVBPBOIIPFSG-UHFFFAOYSA-N 393.512 4.849 0 40 GJAB O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(F)c(F)c1 67296077 LKELBTKOMXKSQJ-NKFKGCMQSA-N 383.379 4.652 0 40 GJAB CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214435 WPGFQKORVYTZDH-OAHLLOKOSA-N 377.485 4.525 0 40 GJAB O=C(NCC[C@@H](O)c1ccccc1)Nc1ccc(N2CCCCC2)c(Cl)c1 72309880 MLRHAPAPXWEDMH-HXUWFJFHSA-N 387.911 4.576 0 40 GJAB COc1ccccc1Cc1cccc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 72349655 SYZOISCIONYKAL-FQEVSTJZSA-N 378.516 4.577 0 40 GJAB FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)c1 72358588 DAZKYMHURASUOM-SFHVURJKSA-N 398.432 4.937 0 40 GJAB COc1cc(C)ccc1CN1CCC[C@H]1c1cccc(Nc2nccs2)n1 72375730 IVISQLDUXOXMJM-SFHVURJKSA-N 380.517 4.936 0 40 GJAB C[C@@H](C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1ccccc1 72396960 VMYVZYRJFSDZHQ-IIBYNOLFSA-N 393.918 4.882 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]2)c1 216028016 FNFLQQLIYWMBFY-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB Cc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Br)cc1 218856114 VTFVPSPDHKBTAS-UHFFFAOYSA-N 396.712 4.539 0 40 GJAB CCc1cccc(C)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 222636541 ILYFHIMPFLDCMJ-QNGOZBTKSA-N 388.467 4.868 0 40 GJAB Cc1cc(C)c(S(=O)(=O)N2c3ccc(Br)cc3C[C@@H]2C)c(C)c1 222974011 AMFSIDPDRAVTNB-AWEZNQCLSA-N 394.334 4.514 0 40 GJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSc1ccc(Cl)cc1 223125649 YYXXCEQZYZDWLB-HNNXBMFYSA-N 389.948 4.895 0 40 GJAB COc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C 224364939 XMIIPHQOBNCQPK-UHFFFAOYSA-N 393.487 4.623 0 40 GJAB COc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2C)c(Cl)c1Cl 224623200 OSIWEISALVBZID-UHFFFAOYSA-N 394.707 4.789 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)cc1OCC 225311088 LZYWNPOMLLNOOI-OAHLLOKOSA-N 375.896 4.947 0 40 GJAB Cc1ccc(NC(=S)Nc2ccccc2C(=O)NCc2ccccc2)cc1 225453252 OSQUDUKGYDAPEY-UHFFFAOYSA-N 375.497 4.734 0 40 GJAB Cc1ccccc1CC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 1521672179 HPIAAFQYWSYUPY-JOCHJYFZSA-N 386.486 4.548 0 40 GJAB COc1ccc(Br)c(C(=O)NCc2cc(-c3ccoc3)cs2)c1 1775969821 MKYAESGMMYPFOZ-UHFFFAOYSA-N 392.274 4.709 0 40 GJAB CC(C)CN1C(=O)C2(CCN(C3CCCC3)CC2)C[C@@H]1Cc1ccc(F)cc1 2037846145 QXLQVGXWQONZOM-QFIPXVFZSA-N 386.555 4.650 0 40 GJAB Fc1ccc(Cc2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)cc1 632692 XYQYBSKXSCORRK-UHFFFAOYSA-N 378.354 4.602 0 40 GJAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4)cc3n2)cc1C 828061 ITTIOBLHRMFMJZ-UHFFFAOYSA-N 376.847 4.943 0 40 GJAB Cc1ccc(Nc2nc(NN)nc(N(c3ccccc3)c3ccccc3)n2)cc1 850706 KDWFNWCBWBUZGK-UHFFFAOYSA-N 383.459 4.679 0 40 GJAB CN(C)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 1097944 XCTXWAJRHMTORV-UHFFFAOYSA-N 378.859 4.889 0 40 GJAB CC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1F 1927014 FPUHECHDLRPSFU-JOCHJYFZSA-N 387.458 4.644 0 40 GJAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2)o1 2446540 UZAQETYODIEMAN-AWEZNQCLSA-N 395.550 4.681 0 40 GJAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NC4CCCCC4)c3n2)cc1 2485428 ZVNVWQHOQWIMPS-UHFFFAOYSA-N 384.430 4.705 0 40 GJAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)C(C)C 3450892 IYNVTRANRLIADC-UHFFFAOYSA-N 394.544 4.672 0 40 GJAB CNC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc(C)c1C 5145005 IDPKWJFWERSKMC-UHFFFAOYSA-N 378.906 4.845 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)C2CCCCC2)c1 5259016 TVSLLWFPNIDLJD-UHFFFAOYSA-N 395.890 4.866 0 40 GJAB Cc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1ccc(F)cc1Cl)CCS3 5482789 XPSAWFDDCJHFTD-UHFFFAOYSA-N 399.878 4.606 0 40 GJAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2C)c(C)c1 6023984 NKQUDOWRJRVJML-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COC(=O)CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 6140604 FUHJZCWBJZDUTQ-UHFFFAOYSA-N 395.528 4.792 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccc1F 6605358 HQTZUQRFWXYGEJ-UHFFFAOYSA-N 398.507 4.958 0 40 GJAB Cc1ccc(NC(=O)[C@@H](OC(=O)COc2ccccc2C)c2ccccc2)cc1 7601110 DUZIPJDJXBYEJJ-QHCPKHFHSA-N 389.451 4.605 0 40 GJAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c1 7763645 QHWACNNPKOMBCY-CYBMUJFWSA-N 384.530 4.769 0 40 GJAB COc1ccc2cc(CN(C)CC(=O)Nc3cc(Cl)ccc3F)ccc2c1 7926810 SATJKEGMOUHKIA-UHFFFAOYSA-N 386.854 4.711 0 40 GJAB CCc1ccc(N2C[C@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)cc1 7929117 LPQPCVJQGVLBOX-JOCHJYFZSA-N 399.490 4.798 0 40 GJAB CCOc1ccccc1N1C[C@H](C(=O)Oc2ccccc2[C@H](C)CC)CC1=O 7929373 PBAZRWWHPMDUKN-IAGOWNOFSA-N 381.472 4.557 0 40 GJAB COCCc1ccc(-c2csc(NC(=O)c3ccccc3SC)n2)cc1 7986831 DDXGUZTUYVYFOG-UHFFFAOYSA-N 384.526 4.973 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c(C)c1 8368958 VTSLGANMLLHPPX-UHFFFAOYSA-N 375.906 4.693 0 40 GJAB CC(C)[C@@H](NC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccccc1 10261582 BSKZGBDWNRINHG-GHTZIAJQSA-N 376.504 4.849 0 40 GJAB CCCSc1ncc(Br)c(C(=O)Nc2ccc(C)c(C)c2)n1 11916175 MMQCFEMSMHHRGI-UHFFFAOYSA-N 380.311 4.610 0 40 GJAB CCN(CC)[C@H](CNC(=O)COc1cccc(C)c1C)c1ccccc1Cl 11917292 ARPJLBRYEMWPNP-HXUWFJFHSA-N 388.939 4.535 0 40 GJAB Cc1cccc(C)c1NC(=O)CCCn1nc(-c2ccc(Cl)cc2)ccc1=O 12440865 OWBDXKXUIBRPMG-UHFFFAOYSA-N 395.890 4.599 0 40 GJAB COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(-n3ccnc3)cc2)c1 12547893 PPACRMOMGYCNDT-HSZRJFAPSA-N 396.450 4.652 0 40 GJAB CN(Cc1cccs1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 12972079 JMHDMZDOISBRNE-UHFFFAOYSA-N 378.906 4.709 0 40 GJAB C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1cc(F)c(Cl)cc1Cl 13038726 CLAPQDXKOALYEU-MRVPVSSYSA-N 377.193 4.700 0 40 GJAB Cc1ccc(CCCNC(=O)CSCc2ccccc2Br)cc1 13672393 AVPUMCOXRNXMHS-UHFFFAOYSA-N 392.362 4.740 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14796240 SLTANKFUTGJCSQ-IAGOWNOFSA-N 396.531 4.918 0 40 GJAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3ccc(F)c(F)c3F)c2C)cc1 15002024 DBADYKNSNBDBPA-DHZHZOJOSA-N 399.416 4.926 0 40 GJAB COc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1OCc1ccccc1F 15082687 UCFNBGRROVNIBU-OAHLLOKOSA-N 383.444 4.949 0 40 GJAB COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1OC 15963017 PRZFTCHRHWENRS-UHFFFAOYSA-N 375.468 4.589 0 40 GJAB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(C)C 16410042 VJEIMTVHJARCMK-LANLRWRYSA-N 392.499 4.904 0 40 GJAB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 16439346 FPKJOTLELYGKHM-CXUHLZMHSA-N 384.863 4.910 0 40 GJAB C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 16576673 VOAHIOBULFQAOI-UHSVVUDUSA-N 377.326 4.778 0 40 GJAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Br)c1 16750368 OEGRWGXEAPJMOR-QGZVFWFLSA-N 398.256 4.511 0 40 GJAB O=C(C1CC1)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373030 FZYLATGMBYVILM-NRFANRHFSA-N 399.498 4.746 0 40 GJAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 20143179 AOADPGNRGIVHIO-UHFFFAOYSA-N 397.299 4.695 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1 20453441 FOHNORCUMQVHMY-HXUWFJFHSA-N 377.440 4.813 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 20487303 UCKSIIGGFDTRRT-GAJHUEQPSA-N 393.483 4.590 0 40 GJAB CC(C)c1nnc(Sc2nc(C(F)(F)F)nc3ccccc23)n1C1CC1 24894160 XBIAUJQBEVJCAW-UHFFFAOYSA-N 379.411 4.850 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 27922612 UNWSCPFPIWOTBY-OALUTQOASA-N 379.891 4.944 0 40 GJAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 30851075 QYFTUFYWGVZEIJ-KRWDZBQOSA-N 377.440 4.680 0 40 GJAB CC(=O)Nc1cccc(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 32360364 RANBGIBAZDFZFI-QFIPXVFZSA-N 390.508 4.795 0 40 GJAB COc1cc2c(cc1OC)CN([C@H](C)c1nc3ccccc3n1C(F)F)CC2 32904946 KAMCIJJBCHQIKI-CYBMUJFWSA-N 387.430 4.568 0 40 GJAB CCOc1ccccc1OCC(=O)NCCC(c1ccccc1)c1ccccc1 32910065 MGPVKKPJALLBTR-UHFFFAOYSA-N 389.495 4.803 0 40 GJAB Cc1nc2ccccc2n1Cc1ccc(C(=O)NCc2ccccc2Cl)o1 35597052 OSFUSLVUYKMWHH-UHFFFAOYSA-N 379.847 4.569 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 52773092 XUTYTPGDYZWQOH-IBGZPJMESA-N 380.488 4.608 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1cccc(Cl)c1)CO2 57105272 BHKYZFVMDIVRNG-UHFFFAOYSA-N 381.859 4.596 0 40 GJAB Cc1ncc(CN(C)C(=O)Nc2ccccc2CN(C)C2CCCCC2)s1 58265657 WRHNBVZIZDSURC-UHFFFAOYSA-N 386.565 4.880 0 40 GJAB Cc1cccc(C)c1OC1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 63354184 WNHYYEFZCMIMAN-LEWJYISDSA-N 382.479 4.551 0 40 GJAB FC(F)(Cl)[C@](F)(Cl)[C@](F)(Br)C(F)(F)Br 64370157 FCMYQABQAFPAEV-NCGGTJAESA-N 392.746 4.771 0 40 GJAB O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(Br)cc1F 65538178 DFZLWEOZANBZEX-UHFFFAOYSA-N 394.631 4.680 0 40 GJAB O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1Cc2ccccc2S1 70038984 YHBHWIOXMZQQQR-FQEVSTJZSA-N 381.447 4.887 0 40 GJAB CCSCCC(=O)OC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 78822698 CJAWABOAXZHFMF-MAUKXSAKSA-N 389.483 4.775 0 40 GJAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@H](c2cccc(O)c2)SC1 95478745 XUGNKFPLSNMGTA-SFHVURJKSA-N 385.876 4.715 0 40 GJAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccc2c1ccn2C(C)C 96118524 GLOUFKXCTKBKDE-UHFFFAOYSA-N 388.471 4.774 0 40 GJAB O=C(CCCN1C(=O)S/C(=C/c2cccs2)C1=O)c1ccc(F)cc1 96941415 ZQXXEJUQBUIKSJ-LFIBNONCSA-N 375.446 4.587 0 40 GJAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 100898238 CYEABNJSCNPBIF-UFOPBENGSA-N 391.854 4.690 0 40 GJAB CC[C@@H](C)c1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3nc(N)nc(O)c32)cc1 101660248 PJPSDOLCUOOKLE-SJKOYZFVSA-N 398.466 4.827 0 40 GJAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 223005050 AWHNYHXUSQHRKO-QHCPKHFHSA-N 394.559 4.604 0 40 GJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1 224557576 CIAKXHFQTIXJAD-HSZRJFAPSA-N 394.559 4.507 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccccc2)s1 224638388 DHHUXDYUGZJEEU-LJQANCHMSA-N 393.512 4.880 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(C)cc1C 225168437 VFUUMVSDMZUXNV-JOCHJYFZSA-N 381.516 4.535 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225205072 AYECGNKMBDMMBW-IIBYNOLFSA-N 393.483 4.892 0 40 GJAB CCOc1ccc(CNC(=O)COc2cc(C)ccc2C(C)C)cc1OCC 225358184 RQFHFGPOLRLHHJ-UHFFFAOYSA-N 385.504 4.611 0 40 GJAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 225555973 ODZFUNCESJFMKN-NFBKMPQASA-N 394.559 4.568 0 40 GJAB Cc1cccc([C@H](NC(=S)Nc2ccc3c(c2)OCCO3)c2ccccc2)c1 225699505 WWOQVVSXXJLVJS-JOCHJYFZSA-N 390.508 4.842 0 40 GJAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225826614 ADNPFDDKZJECAN-OPAMFIHVSA-N 393.524 4.965 0 40 GJAB COc1ccc(C(=O)OC2CCCCC2)cc1-c1cc2ccccc2oc1=O 226357829 LTYGBBMNZJNSKT-UHFFFAOYSA-N 378.424 4.958 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1C 244199360 VNTAPYAICBGFJT-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB COc1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 408624012 WKIMOCYFGZHRKN-UHFFFAOYSA-N 386.245 4.872 0 40 GJAB COc1cc(C)c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(C)C 409069795 WSBAAYRCGJDGQV-VCHYOVAHSA-N 384.863 4.878 0 40 GJAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)cc1 409103123 ATJYDVVBDACHHH-UHFFFAOYSA-N 394.544 4.894 0 40 GJAB Cc1s/c(=N\C(=O)c2ccccc2Br)n(C)c1-c1ccccc1 409207617 YUROGXPJTMZAFQ-ZZEZOPTASA-N 387.302 4.566 0 40 GJAB O=C(c1coc(C2CCOCC2)n1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 573207554 KAFNEUOIIPNQOR-FQEVSTJZSA-N 380.488 4.716 0 40 GJAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 1775966524 JJPOLINPBBCUQQ-LJQANCHMSA-N 389.879 4.600 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)cc1 714724 ZACOJFAQNZXPPO-FQEVSTJZSA-N 378.815 4.840 0 40 GJAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Cl)cc1 853512 JVEIIAKKBXNZSH-UHFFFAOYSA-N 388.858 4.904 0 40 GJAB C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 1425924 GQLFXGMXSHVQIO-QMHKHESXSA-N 386.451 4.693 0 40 GJAB COC[C@H](C)n1c(SCc2ccc(F)cc2Cl)nc2ccccc2c1=O 2619655 HXERIZHLHFVARF-LBPRGKRZSA-N 392.883 4.689 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 4079032 ZJHJEZBBGQQPQM-UHFFFAOYSA-N 380.256 4.773 0 40 GJAB COc1ccc(CNc2c(-c3ccc(O)cc3)nc3ccc(Cl)cn23)cc1 4848488 BKQAJGVGRZBFRN-UHFFFAOYSA-N 379.847 4.981 0 40 GJAB CCc1nnsc1C(=O)Nc1c(C(=O)c2ccc(C)cc2)oc2ccccc12 4941904 RGDYCRFUGDCPSX-UHFFFAOYSA-N 391.452 4.638 0 40 GJAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc2c(c1)OCO2 4994410 MUMGUZBYVGHOAO-UHFFFAOYSA-N 379.799 4.552 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C(C)C 5099460 QNBFKIHMNNGQAW-UHFFFAOYSA-N 386.879 4.536 0 40 GJAB COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1Br 5279365 NTTFSYIIXKUOGQ-UHFFFAOYSA-N 377.263 4.628 0 40 GJAB Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CCCCC1=O 5441427 KMTCFOSBRKYPER-UHFFFAOYSA-N 376.378 4.783 0 40 GJAB CCc1ccccc1NC(=O)CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 5625541 YAIVVWHZASCTTJ-UHFFFAOYSA-N 396.922 4.597 0 40 GJAB COc1ccc(Cl)cc1-n1c(S)nnc1CSCc1ccccc1 6389172 XNVLMPHPABFCQE-UHFFFAOYSA-N 377.922 4.651 0 40 GJAB CSCC[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1nc2ccccc2[nH]1 6657832 SWHNFRCCOGFFDC-OAQYLSRUSA-N 393.556 4.595 0 40 GJAB Cc1ccc(F)cc1NC(=O)c1ccccc1OCc1cn2ccccc2n1 7318856 QBDDHKQDTKJJBT-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB O=C(CSc1ncnc2sccc12)N[C@H](c1ccccc1)c1cccs1 7329437 VVSHQDZMASQUIU-QGZVFWFLSA-N 397.550 4.751 0 40 GJAB CC(C)n1ncc2c(C(=O)N3CCc4ccccc43)cc(-c3ccccc3)nc21 7474091 TVGZVSWROSMAOF-UHFFFAOYSA-N 382.467 4.882 0 40 GJAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC3CCCCCCC3)o2)c1 7540738 IYAXIBJXJXPANC-UHFFFAOYSA-N 399.487 4.722 0 40 GJAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc2c(c1)OCCO2 7990420 FYRAJRZTILHYAQ-UHFFFAOYSA-N 383.831 4.643 0 40 GJAB O=C(c1cnn(-c2ccccc2)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 8093854 JFHVQSRKJQMHHX-INIZCTEOSA-N 388.496 4.502 0 40 GJAB CCOc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1 8254652 FVUGMNQVBORCBT-UHFFFAOYSA-N 391.467 4.652 0 40 GJAB CC(=O)c1ccc(OCC(=O)N(CCc2ccccc2)Cc2cccs2)cc1 8279609 JJOSDVNSWRJWMI-UHFFFAOYSA-N 393.508 4.601 0 40 GJAB CCc1sc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1C 8395686 LZHLYAJGRTXSKW-UHFFFAOYSA-N 380.517 4.856 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1 9052944 WWHYTQWCFZNXIF-INIZCTEOSA-N 380.513 4.553 0 40 GJAB COc1ccc2[nH]cc(CCNC(=O)c3c(C)c4cc(Cl)ccc4n3C)c2c1 9264136 FSMYTZXQLUMSJE-UHFFFAOYSA-N 395.890 4.603 0 40 GJAB Cc1[nH]c2ccc(C(=O)Nc3nc(CN4CCC(C)CC4)cs3)cc2c1C 9477412 HOTQBMWJWSFJJJ-UHFFFAOYSA-N 382.533 4.725 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)c1 10446249 DBNMZMDKDLXGMB-CYBMUJFWSA-N 377.893 4.944 0 40 GJAB CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccc(N(C)C)cc1)CC3=O 12322752 BTSCYJRFASERJW-IBGZPJMESA-N 391.467 4.826 0 40 GJAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12799583 YSOPSHMDQZJGHQ-UHFFFAOYSA-N 383.791 4.706 0 40 GJAB COc1ccc(-c2cc(COc3cc4ccccc4cc3C(=O)O)on2)cc1 12985906 ICHASNZLINMCHE-UHFFFAOYSA-N 375.380 4.781 0 40 GJAB COc1ccc(C2=NN3[C@@H](C(=O)c4ccc(C)cc4)Oc4ccccc4[C@H]3C2)cc1 13616511 JOQDHTFSKNHSBS-RCZVLFRGSA-N 398.462 4.756 0 40 GJAB C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 13999669 IGKIXQPAOLDPRI-MAUBAPBLSA-N 388.442 4.969 0 40 GJAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(C(F)(F)F)cc1 14728749 MROCNNLIMGOYPI-UHFFFAOYSA-N 386.377 4.501 0 40 GJAB CN(CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C1CCCCC1 16334371 DFZMYKWWPPKYMT-QGZVFWFLSA-N 387.574 4.752 0 40 GJAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccc3)CC[C@H]21 19081646 BECCGTGKKDDYOP-NJDAHSKKSA-N 382.573 4.611 0 40 GJAB CCCC(=O)N1CC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 19501070 UBMIEKRNTAFQBT-QHCPKHFHSA-N 398.572 4.501 0 40 GJAB CCCCCOc1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 20265830 MTVJXIALIACSJW-XDJHFCHBSA-N 388.533 4.735 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C 20451560 RWTYPADISYPBPY-QGZVFWFLSA-N 377.893 4.944 0 40 GJAB C[C@@H](OC(=O)/C=C/c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl 20867946 HMRPYMQWBDIARN-VCFDLTMXSA-N 382.218 4.716 0 40 GJAB Cc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)c2ccccn2)o1 21524399 XMPUDHYJCRRWDM-UHFFFAOYSA-N 378.472 4.893 0 40 GJAB COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1cccc(Cl)c1 22074794 DIYXFRCDCQZPCT-NRFANRHFSA-N 397.902 4.751 0 40 GJAB COc1cc(CN[C@@H](C)[C@H](O)c2ccccc2)ccc1OCCc1ccccc1 22107680 UNECLYAUMKSQFN-DFBJGRDBSA-N 391.511 4.528 0 40 GJAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(Oc2ccccc2)cc1 22525267 SOPRKISFAZFULY-UHFFFAOYSA-N 383.513 4.726 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1OC 22534782 YYYIPYSONXHELO-FQEVSTJZSA-N 399.531 4.617 0 40 GJAB Clc1ccc(-c2n[nH]cc2CNC[C@H](c2ccccc2)N2CCCC2)cc1 22925131 FXBCMYPTJCPPHL-OAQYLSRUSA-N 380.923 4.657 0 40 GJAB COCCn1c(SCc2csc(-c3ccco3)n2)nnc1-c1ccccc1 28108982 PWYGAMOHJFXGOI-UHFFFAOYSA-N 398.513 4.600 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccnn2Cc2cccs2)c1 28404779 QDVNGXIBJCUKDJ-INIZCTEOSA-N 383.517 4.831 0 40 GJAB Cc1cccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)c1 33170766 SAKNQQDUEUMABF-UHFFFAOYSA-N 388.471 4.820 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38848661 YLCOPMBCKHQKBV-INIZCTEOSA-N 395.305 4.661 0 40 GJAB COc1cccc([C@H]2CCCN2C(=O)c2cc(C)n(Cc3ccco3)c2C)c1 48273177 SEEAABHEBQSMQL-JOCHJYFZSA-N 378.472 4.732 0 40 GJAB CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1OC 48374401 ZKTYZTPTZDAVFV-JOCHJYFZSA-N 389.455 4.650 0 40 GJAB Cc1csc(COc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)n1 56907702 IFPQXDITGNMURC-MRXNPFEDSA-N 380.513 4.782 0 40 GJAB O=C(CCc1ccc2ccccc2c1)Nc1ccccc1CN1CCSCC1 61284841 VZZSOIZINXMYMW-UHFFFAOYSA-N 390.552 4.960 0 40 GJAB COc1cccc(-c2nc(N3CCCCC3)c3oc(-c4ccccc4)nc3n2)c1 61997340 MMZZDEPQSXUHOU-UHFFFAOYSA-N 386.455 4.951 0 40 GJAB CCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl 71116167 POKJMVFBLGUUMM-LBPRGKRZSA-N 387.842 4.759 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Nc3ccccc3)nc2)cc1 72214088 ABFNWQLCTPCBIR-NRFANRHFSA-N 393.512 4.659 0 40 GJAB COc1ccc([C@H](CNC(=O)[C@H](C)c2ccc(C)s2)N2CCCCC2)cc1 72311312 AQEMUUHUCOGWOY-XLIONFOSSA-N 386.561 4.512 0 40 GJAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1c(F)cccc1Cl 72332432 DZARRXDCIBYXPP-SFHVURJKSA-N 385.826 4.681 0 40 GJAB CC(=O)c1ccc(C(=O)N(C)c2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1 95958540 FYWZUZLLSNXKRL-LJQANCHMSA-N 390.508 4.895 0 40 GJAB COCCn1c(-c2ccc(Cl)s2)cs/c1=N/c1ccc(OC)cc1 105756734 LQWKVRZKZCIUSC-HTXNQAPBSA-N 380.922 4.819 0 40 GJAB O=C(Oc1cccc2ccccc12)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 109127704 CDDZVCVTJUWASF-OYRHEFFESA-N 399.446 4.739 0 40 GJAB COc1ccc(-c2nc(/C=C/C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cs2)cc1 110510291 DRPTTYXRDVBETF-WRUWUQAZSA-N 382.529 4.773 0 40 GJAB Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(OCc2ccccc2)c1 218978894 ZZTPNAQXQSTZIB-IBGZPJMESA-N 375.468 4.771 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)C)ccc1Cl 223828619 OHCYIUFOACIVJF-MRXNPFEDSA-N 375.896 4.734 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(Cl)cc1 224128038 IUFVIVLNVDEBSO-HNNXBMFYSA-N 375.896 4.600 0 40 GJAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1Cl 224163751 HJOLJEPKDSHNTH-INIZCTEOSA-N 375.896 4.734 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 224213766 WKRVNCPAKSIOFA-CEZZIEKDSA-N 388.467 4.545 0 40 GJAB Cc1cccc(N2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)c1C 224975592 DNHLKGRBHGYBIG-UHFFFAOYSA-N 384.523 4.862 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1Cl 225178965 NYHAQXQIFJUGRB-UHFFFAOYSA-N 390.892 4.948 0 40 GJAB Cc1ccccc1-c1noc(CNC(=O)CCc2ccc(Cl)cc2Cl)n1 225381168 DQNHPXFSVYKLNW-UHFFFAOYSA-N 390.270 4.601 0 40 GJAB Cc1ccc(NC(=S)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 225453354 WAEGKMZZRSPNFV-UHFFFAOYSA-N 389.524 4.776 0 40 GJAB COc1cccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 225533294 KQAAQACNUIZSIS-UHFFFAOYSA-N 396.487 4.900 0 40 GJAB O=C(Nc1cccc(Cl)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225574858 FGLXFNDUKXUINF-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB CCCO[C@@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1)C1CC1 225858044 DAVZCHZLHZHWTP-OYHNWAKOSA-N 391.508 4.574 0 40 GJAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccccc2)c1 408699654 VMMBQFBGVMLYQR-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CCc1ccc(NCc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 409114178 DARNEOQTEZTAKG-UHFFFAOYSA-N 381.497 4.937 0 40 GJAB CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1ccc2c(c1)[C@@H](C)CC(=O)N2C 627065997 NAAOAYYKUXWPCX-HJPURHCSSA-N 391.515 4.944 0 40 GJAB O=C(NCc1ccc2occc2c1)N[C@H]1CCCc2cn(C3CCCC3)nc21 664668988 JNKGLLRFVIVVLH-IBGZPJMESA-N 378.476 4.621 0 40 GJAB COc1ccc2nc(S[C@H](C)C(=O)c3ccc(OC(F)F)cc3)[nH]c2c1 679017611 GGQRPMDHOZDYGG-SNVBAGLBSA-N 378.400 4.536 0 40 GJAB O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1ccc(C(F)(F)C(F)(F)F)cc1 1534766265 OLXWJWBDDJDUTF-HIFRSBDPSA-N 389.295 4.542 0 40 GJAB CC(C)Cc1cc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)on1 1615125674 GHKRHGSMMBJKEE-HSZRJFAPSA-N 399.510 4.676 0 40 GJAB O=Cc1ncc(Br)cc1OCc1ccc(Cl)c(C(F)(F)F)c1 1641461363 CJJPMCARGRKQCW-UHFFFAOYSA-N 394.574 4.908 0 40 GJAB CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1-c1ccccc1 663826 WILUAUBYPLVWKJ-UHFFFAOYSA-N 377.831 4.893 0 40 GJAB Cc1cccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c1 678251 MFRZNUXMDIKGBN-UHFFFAOYSA-N 393.830 4.869 0 40 GJAB CC[C@H](COC(=O)Nc1ccc(C)cc1)N1C(=O)CS[C@H]1c1ccc(C)cc1 850772 GUUVHEDKCOVWEZ-CTNGQTDRSA-N 398.528 4.905 0 40 GJAB CC(C)COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 861577 HJUZKKKIJXXLAS-UHFFFAOYSA-N 378.428 4.819 0 40 GJAB Cc1cc(N2CCN(c3cc(Cl)ccc3C)CC2)nc(-c2ccccc2)n1 1350804 JNDSLAJVUZDXML-UHFFFAOYSA-N 378.907 4.740 0 40 GJAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 1359661 ROVDQKYUZKAOMR-QGZVFWFLSA-N 379.435 4.512 0 40 GJAB CCCCCC(=O)N[C@@H](Oc1ccc(C(C)=O)cc1)C(Cl)(Cl)Cl 2702019 JUTRORTZNUMURN-HNNXBMFYSA-N 380.699 4.661 0 40 GJAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)ccc12 3072158 KFHAMWMYTOBEEW-LBPRGKRZSA-N 391.345 4.526 0 40 GJAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1cc(Cl)ccc1Cl 3238931 IKQOWWUNGGJNFM-UHFFFAOYSA-N 394.588 4.721 0 40 GJAB C[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)Nc1ccccc1 3282196 WOFSGIGSJUNKSN-PGRDOPGGSA-N 383.495 4.917 0 40 GJAB CCOC(=O)c1c(C)[nH]c(-c2csc(NCc3ccccc3OC)n2)c1C 3328454 RAXWUYCIEUTTIF-UHFFFAOYSA-N 385.489 4.552 0 40 GJAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)c1ccc(Br)cc1 3363075 VKGBLZHTMGGFFA-VIFPVBQESA-N 395.303 4.924 0 40 GJAB O=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1ccccc1F 4120542 GIPQVDOXYLGGOJ-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(Cl)cc3)nc2c1C 4359364 MJYVAEOPBQHIJE-UHFFFAOYSA-N 387.936 4.775 0 40 GJAB CCCCOc1ccc(C(=O)N(CCN(C)C)c2nc3ccccc3s2)cc1 4585272 HOXWXDWNMXGHDI-UHFFFAOYSA-N 397.544 4.684 0 40 GJAB CCOC(=O)[C@@H](C)Oc1cc2c(-c3cc4ccccc4o3)cc(=O)oc2cc1C 4586202 BSCZPRNIGZIQNP-CQSZACIVSA-N 392.407 4.845 0 40 GJAB biogenic CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)OC2CCCCCC2)cc1 4994623 KVCHXHUXKNGYID-UHFFFAOYSA-N 396.553 4.769 0 40 GJAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)NCc1ccccc1 5288159 WAAMRRSMZCYBCU-UHFFFAOYSA-N 391.521 4.767 0 40 GJAB C[C@H](OC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1Cl 6084988 BBRLDFONHQQNAY-QMMMGPOBSA-N 390.625 4.970 0 40 GJAB O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1nc2ccc(F)cc2s1 6537806 JNGJNDMLOPOHOG-UHFFFAOYSA-N 384.461 4.556 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ncccn3)ccc21 6910919 QXEBNNSTWCNQGN-AWEZNQCLSA-N 376.485 4.724 0 40 GJAB O=c1c2ccccc2nnn1CS[C@H](c1ccccc1)c1ccc(Cl)cc1 6939962 DBYCAHAIHIXOBO-HXUWFJFHSA-N 393.899 4.925 0 40 GJAB Cc1ccc(Nc2nc(N3C[C@H](C)C[C@@H](C)C3)nc3c2cnn3C)cc1Cl 6941309 CEZIMPXQMMGFGF-CHWSQXEVSA-N 384.915 4.551 0 40 GJAB CCN1C(=O)S[C@H](Cc2ccccc2OCc2ccc(Cl)cc2)C1=O 6952954 FYIFRNFLNMYAQU-QGZVFWFLSA-N 375.877 4.545 0 40 GJAB CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 8560810 UUZKXXCVILTRIN-LBPRGKRZSA-N 396.270 4.965 0 40 GJAB Cc1cccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c1 9136323 YFAKNWYQMSIJGD-UHFFFAOYSA-N 384.479 4.656 0 40 GJAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccccn1 9470690 ZHOBUVRJVZWVRB-INIZCTEOSA-N 388.496 4.546 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)/C=C/c3ccccc3C)n2)c(F)c1 10993811 KEZFPTJNHHFSKM-JXMROGBWSA-N 395.459 4.868 0 40 GJAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cc2ccccc2oc1=O 11914738 PFIYVEZIZZIPFF-UHFFFAOYSA-N 382.375 4.854 0 40 GJAB COc1ccc(-c2nc(C(=O)N3CCCc4cccc(F)c43)cs2)cc1OC 12772919 UBDUBCCQTWJQSV-UHFFFAOYSA-N 398.459 4.559 0 40 GJAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)cc3Cl)c12 13002295 XEUOTQLFFZBDBV-UHFFFAOYSA-N 384.798 4.582 0 40 GJAB CCOc1ccc(Br)cc1C(=O)Nc1ccccc1Br 14654608 BGZGGMMPTUPMNG-UHFFFAOYSA-N 399.082 4.863 0 40 GJAB N[C@@H](Sc1nc(=O)n(C2CCCC2)c2c1CCC2)c1cccc2ccccc12 15840383 QAZTZKNSRSYDQY-NRFANRHFSA-N 391.540 4.750 0 40 GJAB CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccn1 16755443 BIHUREMRRTZMNW-UHFFFAOYSA-N 393.299 4.642 0 40 GJAB CCOc1cc(CN[C@@H](Cc2ccsc2)c2nc(C)cs2)ccc1OC 19532153 WRBKCJODTSGRFE-KRWDZBQOSA-N 388.558 4.994 0 40 GJAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 20140309 JPZRRXPKZZPQFP-UHFFFAOYSA-N 385.803 4.868 0 40 GJAB CCN(CC)c1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20189578 RUQDNEPWYBMKFI-UHFFFAOYSA-N 395.576 4.955 0 40 GJAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCC(C)CC2)cc1 23078393 QQXAYUKINSBQEX-UHFFFAOYSA-N 389.499 4.856 0 40 GJAB CCN(Cc1cccc(F)c1)C(=O)c1ccc(OCc2c(C)noc2C)cc1 23745301 HXUIUPIGVNDOLW-UHFFFAOYSA-N 382.435 4.672 0 40 GJAB C[C@@H](NCc1ccc(F)c(Br)c1)c1ccc(NC(=O)C2CC2)cc1 28925478 GXWCHGSWUPNBSM-GFCCVEGCSA-N 391.284 4.788 0 40 GJAB Cc1ccc(C)c(Nc2nc3nonc3nc2NC2C3CC4CC(C3)CC2C4)c1 32291163 AIOJTUJQEFREGS-UHFFFAOYSA-N 390.491 4.610 0 40 GJAB Cc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccccc4)cc3)n2)cc1 32593607 UABDLTZEQQJUBA-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB Cc1nc2ccc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)cc2nc1C 32880025 MISRSEHJUQQAOK-UHFFFAOYSA-N 383.854 4.844 0 40 GJAB COc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1cccc(Br)c1 40268671 HJNGNAPWEKCIJH-HNNXBMFYSA-N 398.260 4.767 0 40 GJAB CCCc1c(C(=O)OCC)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn12 40385044 JIVDNDGZAMPTMW-UHFFFAOYSA-N 386.883 4.697 0 40 GJAB CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1 41076963 JVVUERYUBGPJHV-UHFFFAOYSA-N 383.879 4.872 0 40 GJAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccc(Cl)cc2)c(OC)c1 49547484 RDUUDWVYOZYRCZ-QGZVFWFLSA-N 397.862 4.726 0 40 GJAB Cc1cccc(Cl)c1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364559 AETWBVSXFUCEAA-MRXNPFEDSA-N 378.859 4.807 0 40 GJAB COc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4C)=NN3C(C)=O)cc2c1 71924184 AFVOEJMVHLJYIQ-NRFANRHFSA-N 393.874 4.903 0 40 GJAB COc1ccc(Cc2cccc(C3CCN(C(=O)c4ccccc4)CC3)n2)cc1 72348636 MBEQEABRICLFNV-UHFFFAOYSA-N 386.495 4.701 0 40 GJAB Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1nc(-c2cccnc2)cs1 72404271 KKOGUIBFWGXVFG-UHFFFAOYSA-N 395.875 4.511 0 40 GJAB Cc1ccc(-c2csc3ncnc(NCCn4cnnc4C4CC4)c23)cc1C 79064044 JMNJUPBTBMRHGK-UHFFFAOYSA-N 390.516 4.556 0 40 GJAB Cc1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)c(CN(C)C)c1 84142375 WPIUNSJFHJRMAV-UHFFFAOYSA-N 390.483 4.866 0 40 GJAB CSCc1c(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)oc2ccccc12 95469094 MVQABKCYWOLHGI-MRXNPFEDSA-N 391.496 4.733 0 40 GJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21 96053030 YWPODDQOLOMFPL-FQEVSTJZSA-N 380.532 4.559 0 40 GJAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=S)Nc1ccccc1Cl 100427087 VWZKKNLCEWJVLN-GJZGRUSLSA-N 393.984 4.585 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 103420016 HQEIXRPSZKYMIC-FUOQNJDISA-N 391.467 4.521 0 40 GJAB CCc1sc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4=C(C)C)[C@H]3C2=O)nc1-c1ccccc1 169298935 SJECLOIEXPEKND-FDCRZUCXSA-N 392.524 4.854 0 40 GJAB Cc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1-c1cn2ccccc2n1 206898096 JROHUWPYHFGXOU-UHFFFAOYSA-N 399.479 4.809 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C 222809755 XKWHHZBTOIDQLS-FGZHOGPDSA-N 390.556 4.790 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1C 222954690 YJCQKUADLIHPMZ-PXNSSMCTSA-N 382.504 4.628 0 40 GJAB CC[C@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc(C)c(C)c1 224466208 FTVWUVKGVYOZLE-QFIPXVFZSA-N 383.513 4.895 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2F)cc1OCC 225498144 PXMILSNXBQMXGN-CYBMUJFWSA-N 379.859 4.696 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)cc1 408699961 XUIIYPLWYGMXLR-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB CCCc1sc(=Nc2ccccc2OC)[nH]c1-c1ccc(OC)c(OC)c1 408754172 DUBYMMBHGAFQHB-UHFFFAOYSA-N 384.501 4.954 0 40 GJAB CCOc1cc(CNc2ccc(CC)cc2)cc(I)c1O 409109451 FCRIIHZDNUSBSD-UHFFFAOYSA-N 397.256 4.570 0 40 GJAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](O)c1ccc(-c2cccs2)s1 1775966432 DIKFGRRBXSIJPP-CQSZACIVSA-N 395.908 4.661 0 40 GJAB O=C(Nc1cccnc1)c1ccc(COc2ccccc2Br)cc1 1026650 PSVOOKIMKLMWIJ-UHFFFAOYSA-N 383.245 4.675 0 40 GJAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1)Oc1ccccc1 1058014 ONUNWYLPLQNNSR-QFIPXVFZSA-N 399.450 4.506 0 40 GJAB biogenic CC(=O)c1cccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)c1 1342847 HOPPVUONGBLWRU-UHFFFAOYSA-N 375.453 4.795 0 40 GJAB COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 1439791 NWFJQNHXVXVASS-UHFFFAOYSA-N 391.452 4.606 0 40 GJAB CCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)c1 2050767 RFUCTDCPVWUJAE-UHFFFAOYSA-N 387.501 4.845 0 40 GJAB CN(Cc1ccccc1)c1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2454411 KZEDXFXBIIHELN-UHFFFAOYSA-N 390.512 4.727 0 40 GJAB Cc1nc(COc2ccc(-c3noc(C(Cl)(Cl)Cl)n3)cc2)cs1 2570478 KLVHMKGYMHDPBO-UHFFFAOYSA-N 390.679 4.907 0 40 GJAB CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2Cc1ccccc1 2687677 JBTAAGJJZSPSJJ-UHFFFAOYSA-N 397.474 4.988 0 40 GJAB Cc1cccc(-n2nnnc2S[C@H](C(=O)c2ccccc2)c2ccccc2)c1 3301304 RPQRTDQRDGQPEI-NRFANRHFSA-N 386.480 4.687 0 40 GJAB Cc1ccc(-c2nc(-c3cccnc3)sc2CC(=O)Nc2nccs2)cc1 3435643 NZJRIHLRTAMLSY-UHFFFAOYSA-N 392.509 4.818 0 40 GJAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2)CSC3)cc1 4077205 JCVOKBOXGXZIBK-UHFFFAOYSA-N 385.876 4.533 0 40 GJAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 4816606 VMMMUFRJDBQJJE-QZTJIDSGSA-N 384.842 4.548 0 40 GJAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)c1 5217447 NSRJWEIWAMQCKX-ZTCOLXNVSA-N 399.506 4.711 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(Br)c(Cl)c2)cc1OC 6246810 FNHRVKCKNKMPRO-XBXARRHUSA-N 396.668 4.772 0 40 GJAB C[C@@H](NC(=O)COC(=O)CCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 6376494 PNYDKUSCSUAMBJ-OAHLLOKOSA-N 398.890 4.565 0 40 GJAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 7072954 UGGKLUZCQBQZSK-MRXNPFEDSA-N 398.503 4.821 0 40 GJAB COc1ccc(-c2nc(COC(=O)Cc3c(F)cccc3Cl)cs2)cc1 7107985 PSMOAJZGNHAYMM-UHFFFAOYSA-N 391.851 4.897 0 40 GJAB COc1ccc(CN(CC(=O)Nc2c(Cl)cccc2Cl)C2CC2)cc1 7661862 VUCRXYZQJJNOSR-UHFFFAOYSA-N 379.287 4.605 0 40 GJAB Cc1ccc(C2=Nn3c(C[C@@H](C)c4ccccc4)nnc3S[C@@H]2C)cc1C 7735528 YFWJMICBAZJTKB-IAGOWNOFSA-N 376.529 4.988 0 40 GJAB CN(CC(=O)Nc1cccc(F)c1)Cc1csc(-c2ccc(Cl)cc2)n1 8093684 YJVPZISJVLLPHS-UHFFFAOYSA-N 389.883 4.673 0 40 GJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)o2)cc1 8129226 WATVMSWOBWHESU-ZDUSSCGKSA-N 393.468 4.898 0 40 GJAB Cc1ccc(NC2=NN=C(c3cc(C)n(C[C@H]4CCCO4)c3C)CS2)cc1C 8190898 PNXXLEOFCGJSAQ-LJQANCHMSA-N 396.560 4.820 0 40 GJAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(N2CCCCCC2)cc1 8193120 KSDXXOMJKYKAMC-HXUWFJFHSA-N 383.561 4.904 0 40 GJAB Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2ccc3oc(C)nc3c2)c1 8280561 XHMJYNMJWDMZLK-UHFFFAOYSA-N 392.484 4.670 0 40 GJAB Cc1nc(SCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)c2c(C)c(C)sc2n1 8560416 ZWLJAPQIMIACMF-HOTGVXAUSA-N 389.590 4.747 0 40 GJAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 8718369 ASACGRROUYCHLK-INIZCTEOSA-N 392.455 4.935 0 40 GJAB Cc1cc(OCC(=O)Nc2nc(-c3cccs3)ns2)cc(C)c1Cl 11914583 BIFFRJPJJQTSPI-UHFFFAOYSA-N 379.894 4.554 0 40 GJAB COc1ccc([C@@H](NC(=O)c2ccc3nc(C)sc3c2)c2ccncc2)cc1 12148482 ULPCRPNSDKEHCM-OAQYLSRUSA-N 389.480 4.528 0 40 GJAB Cc1ccccc1[C@@H](C)NC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 13007130 UBSCROCAWRCRGZ-VGSWGCGISA-N 382.504 4.914 0 40 GJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccc(Cl)cc1 14398118 XZDKYIYKCPHCAR-LJQANCHMSA-N 393.936 4.556 0 40 GJAB COc1cccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)c1 15106940 JUUUWFBMAORAQC-MRXNPFEDSA-N 395.480 4.915 0 40 GJAB O=C(COc1ccc(Cl)cc1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 15355313 RHIOIIZELOYDJQ-MRXNPFEDSA-N 386.860 4.751 0 40 GJAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(F)cc2)o1 15881565 ZABAHSGKWOOUGQ-UHFFFAOYSA-N 392.434 4.668 0 40 GJAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 16780743 MZBVIHQENTZHAL-ZANVPECISA-N 389.361 4.581 0 40 GJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 20145068 YRBJYSBOAMFKAF-NYYWCZLTSA-N 383.831 4.753 0 40 GJAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)o1 21545446 IEHVYHNWAQFHAY-UHFFFAOYSA-N 389.864 4.520 0 40 GJAB COc1ccc([C@H]2CCCCCN2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 22185708 ZZPVYQPGYOCFLB-HXUWFJFHSA-N 397.906 4.702 0 40 GJAB Cc1cc([C@](O)(c2nc3ccccc3s2)C(F)(F)F)cc2c1NCCC2 24927202 YEBRHMSTOLTIGJ-SFHVURJKSA-N 378.419 4.761 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)CCCc2c[nH]c3ccccc23)cc1OC 24927802 DUOHYXOCZUJOFV-OAQYLSRUSA-N 392.499 4.872 0 40 GJAB Cc1nc(C2(NC(=O)Cc3ccc(-c4ccccc4)cc3)CCCCC2)no1 29057777 QQLSTPQYRODUGY-UHFFFAOYSA-N 375.472 4.563 0 40 GJAB Brc1cc(Br)c2c(c1)CN(Cc1ccccc1)CO2 31659449 KMGRELRSRWDMOS-UHFFFAOYSA-N 383.083 4.564 0 40 GJAB O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)Nc1ccccn1 31848606 PKDPLUASBBIANP-UHFFFAOYSA-N 396.472 4.623 0 40 GJAB C[C@]12CN(Cc3ccccc3)C[C@](C)(CN(C(=O)c3c[nH]c4ccccc34)C1)C2 32089474 XFBIEFQOOVNSQE-PLQXJYEYSA-N 387.527 4.542 0 40 GJAB Cc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4)c3)no2)c1 33327259 XPYZWYYOOJIHDA-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 33661056 VUPOFQHXECKPIB-YUXAGFNASA-N 386.407 4.764 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)SCc2ccccc2)ccc1Cl 38756324 SOGAUFIGIXWTNR-CYBMUJFWSA-N 377.893 4.777 0 40 GJAB Cc1ccc(Cl)c2sc(N3CCN(C(=O)Nc4cccs4)CC3)nc12 38934749 ZBDVRNVEQYVMJX-UHFFFAOYSA-N 392.937 4.674 0 40 GJAB Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1nnc(Nc2ccccc2)s1 42208076 YICWPVYSJVLVJL-LBPRGKRZSA-N 388.493 4.849 0 40 GJAB CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)c(C)c1 44856495 KBHAMXYOIWBQCC-GMAHTHKFSA-N 382.523 4.922 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)CCCC(=O)c1c(C)cc(C)cc1C 47304017 RKFJWIIKPIIFCZ-UHFFFAOYSA-N 396.487 4.571 0 40 GJAB c1ccc(CSc2nnc(-c3ccc4c(c3)OCCCO4)n2C2CC2)cc1 64987157 ATQQAHGHOOJJLL-UHFFFAOYSA-N 379.485 4.734 0 40 GJAB C[S@@](=O)C[C@H](Nc1nc(-c2ccccc2)nc2ccccc12)c1ccccc1 72301692 PCCVNMSMHVOKTI-KMRXNPHXSA-N 387.508 4.829 0 40 GJAB CC(=O)Nc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72349632 PBFBGXKHPBYEGH-HXUWFJFHSA-N 391.515 4.603 0 40 GJAB FC(F)(F)c1nnc2sc(-c3cccc4c(Br)cccc34)nn12 73634349 VJYJPMDRUJGGTI-UHFFFAOYSA-N 399.195 4.787 0 40 GJAB O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)CCN2 78403711 CIGXNZQXPKEVEH-UHFFFAOYSA-N 382.510 4.607 0 40 GJAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@@H]3c2ccc(Cl)cc2)cc1 95480837 GTWLAQMUIYJMMR-QGZVFWFLSA-N 399.859 4.648 0 40 GJAB O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1scnc1C1CC1 95976502 AXZGKHQXDGJGFJ-UHFFFAOYSA-N 398.875 4.574 0 40 GJAB FC(F)(F)c1ccnn1[C@@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 95995423 SIHYUGVMFFXCFN-OAHLLOKOSA-N 392.450 4.863 0 40 GJAB CC(C)c1cc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c2cnn(C(C)C)c2n1 96014044 UYZXBSDGDWIDCK-OAQYLSRUSA-N 398.551 4.557 0 40 GJAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21 96305793 OSQYYWYJYHFXTR-UHFFFAOYSA-N 386.517 4.721 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@H](C)C2 101835905 WQQWVBYKBCAENQ-YXWQFLTLSA-N 375.534 4.813 0 40 GJAB CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)CCCC2 223089399 GTCBIDOLAARRGJ-QFIPXVFZSA-N 376.500 4.573 0 40 GJAB O=C(NC1CCCCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 223609537 QYIGGEQOSYYEOK-SILNSSARSA-N 382.529 4.748 0 40 GJAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1C 224370186 HCDJQRWUOIHBJV-UHFFFAOYSA-N 375.468 4.903 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)NCC(C)C 224808626 CAKQALCEFYSWFV-QGZVFWFLSA-N 387.351 4.673 0 40 GJAB COC(=O)c1cc2cc(NC(=S)NCc3ccc(Cl)cc3)ccc2s1 225212529 YUAIPABTCWFCKA-UHFFFAOYSA-N 390.917 4.828 0 40 GJAB O=C(O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 225550354 GHGZMGOXEBANEQ-UHFFFAOYSA-N 387.863 4.644 0 40 GJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NC(C)C)cc1 225716223 CZOYVKIKTFJPQW-HSZRJFAPSA-N 394.559 4.514 0 40 GJAB CS(=O)(=O)c1ccc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2)cc1 255190107 VBFQDRZUDQTYDM-QFIPXVFZSA-N 394.471 4.585 0 40 GJAB Cc1ncoc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257229698 FZENYVIHJGTVAN-KRWDZBQOSA-N 385.851 4.583 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(Br)cc3)N21 260781355 SRPAFVNITVZRIF-PVAVHDDUSA-N 388.334 4.824 0 40 GJAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(SCC(C)C)=N1 408985264 AMFBZJZIRITGDI-HXUWFJFHSA-N 379.529 4.989 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C1CC(C)(C)C1)CC2 505928535 PSSGJJJCEOYGAH-JOCHJYFZSA-N 379.500 4.614 0 40 GJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1ccc(OC(F)(F)F)cc1 675007886 ZIOXQEFOLWBKQI-HNNXBMFYSA-N 381.375 4.802 0 40 GJAB Cc1ccc(S(C)(=O)=O)cc1NCc1cccc(COc2ccccc2)c1 1560497067 ZBKGQGDOYHPRRK-UHFFFAOYSA-N 381.497 4.590 0 40 GJAB Cc1cc(Oc2ccc(CN[C@H](C)[C@H](O)C(F)(F)F)c(Cl)c2)ccc1F 1560555203 FEOXVONWCJLXSA-DIFFPNOSSA-N 391.792 4.981 0 40 GJAB CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)cc1 675093 SYMHCTPDXDKNHO-NEPXVJNWSA-N 398.528 4.694 0 40 GJAB Cc1ccc2cc(CN(C(=O)c3cccc(F)c3)C3CCCC3)c(=O)[nH]c2c1 1358558 YRTCFCSOYSFTQP-UHFFFAOYSA-N 378.447 4.561 0 40 GJAB Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CCCC3)c2c1 1367396 VCQSVPWBBYPTHU-UHFFFAOYSA-N 395.503 4.895 0 40 GJAB Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccncc1 2355982 KXDJPEQAMAVIIC-UHFFFAOYSA-N 386.480 4.519 0 40 GJAB Cc1ccc(CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)cc1 2383594 RIQRMOFDLUOCSW-UHFFFAOYSA-N 391.537 4.908 0 40 GJAB CCc1c(C)sc(NC(=O)COc2ccc3ccccc3c2)c1C(=O)OC 2764148 KYRQKCCCZTZKQO-UHFFFAOYSA-N 383.469 4.576 0 40 GJAB CCc1cccc(C)c1NC(=O)COC(=O)c1cc2ccccc2cc1OC 4836153 HJQBZAPSGAKZAJ-UHFFFAOYSA-N 377.440 4.515 0 40 GJAB Cc1cc(C2(c3cc(C)c(O)c(C)c3)C(=O)N(C)c3ccccc32)cc(C)c1O 5277031 AQMQKECGGKDBQG-UHFFFAOYSA-N 387.479 4.642 0 40 GJAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 5400044 LERJHVIJNYGTMI-VIFPVBQESA-N 397.331 4.917 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1OC 5549322 RWFOHZIVADTPCQ-UHFFFAOYSA-N 380.425 4.826 0 40 GJAB Cc1ccc(C(C)C)c(OC[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c1 5587988 SOJHDBSZLIUFHT-HNNXBMFYSA-N 392.421 4.927 0 40 GJAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(Oc2ccccc2)cc1 6114728 DBMGKVMWWAGYSU-OAHLLOKOSA-N 390.468 4.641 0 40 GJAB CC/C(NCc1ccc(Cl)cc1)=C1/N=C(c2ccc(Cl)cc2)OC1=O 6419630 UCAAVTTYMVEVNC-MSUUIHNZSA-N 375.255 4.708 0 40 GJAB CC(=O)c1sc(NC(=O)COc2cccc(C)c2C)nc1-c1ccccc1 7799900 WWKYHBGCACPNQG-UHFFFAOYSA-N 380.469 4.647 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccoc1C)c1ccccc1 7848170 DQAVBQFJYPFOGZ-HXUWFJFHSA-N 379.412 4.524 0 40 GJAB Cc1ccc([C@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2Cc2ccco2)cc1 8916638 FKLJSOQFEKUQBU-NRFANRHFSA-N 385.419 4.748 0 40 GJAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2C)cc1 9019574 JXLPALKLHFKMEI-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Cc1ccsc1CN(Cc1ccco1)C(=O)COc1ccccc1Cl 9204537 OXRSCADPZYUFFJ-UHFFFAOYSA-N 375.877 4.911 0 40 GJAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)c1ccc[nH]1 9255718 JVLHZERUKVXZJR-UHFFFAOYSA-N 375.862 4.908 0 40 GJAB C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(C(F)(F)F)cc1 9484970 ZLNQTXDPPNFBFE-MRVPVSSYSA-N 377.771 4.604 0 40 GJAB Cn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nc2ccccc21 9909544 XUCYBIZUMDTTRT-UHFFFAOYSA-N 381.501 4.745 0 40 GJAB O=C(Cc1cccs1)N(C[C@H]1CCCO1)c1nc2c(Cl)cccc2s1 10060768 VWLAHVBOFUKARG-GFCCVEGCSA-N 392.933 4.766 0 40 GJAB CC(C)n1ncc2c(C(=O)N3CCc4sccc4C3)cc(-c3ccco3)nc21 10924775 MSYKQTMQWJLBKT-UHFFFAOYSA-N 392.484 4.532 0 40 GJAB C[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 12273853 ILYIPBDYXZTXCT-MGPLVRAMSA-N 377.669 4.992 0 40 GJAB COc1ccc([C@@H]2CCCN2[C@@H](C)c2nnc(-c3cccs3)o2)c(OC)c1 12809978 QCMISQKIJVQSIF-BBRMVZONSA-N 385.489 4.713 0 40 GJAB CCn1c(-c2ccccc2C)nn(CN2CCC[C@@H](C(F)(F)F)C2)c1=S 12811493 MVIHYSCEBRYTBN-CQSZACIVSA-N 384.471 4.641 0 40 GJAB O=C(O)Cc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 13440107 PTPFIBKFZMNRQQ-UHFFFAOYSA-N 389.329 4.845 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13685258 MOOMWSPNXUJEJD-KRWDZBQOSA-N 390.483 4.632 0 40 GJAB Cc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccccc3Cl)cs2)cc1 15832565 ADIQKPRYPQXDRX-AWEZNQCLSA-N 386.904 4.856 0 40 GJAB COc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCCCC3)cc1 15953126 SMHKYGNXTZSHHS-UHFFFAOYSA-N 398.324 4.929 0 40 GJAB Cc1c(/C=C2/C[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cnn1C 17080249 SGZGWFBJNFOJSO-FBCXJMCQSA-N 392.543 4.823 0 40 GJAB COC(C)(C)C(=O)N1CCC[C@@H]1c1cc(Cc2ccccc2Cl)cc(C)n1 19691969 WAXWQVCXNXVLBF-HXUWFJFHSA-N 386.923 4.723 0 40 GJAB CCc1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20143901 UFNYZQFGAQLLAW-UHFFFAOYSA-N 385.847 4.672 0 40 GJAB CC(C)c1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)n1Cc1ccco1 22133423 SEBUTVUFPOGABU-OAHLLOKOSA-N 395.528 4.895 0 40 GJAB CCOc1ccccc1-c1nnc(SCc2noc(-c3cccs3)n2)o1 31633658 DBCKXSUXTLOZTB-UHFFFAOYSA-N 386.458 4.539 0 40 GJAB Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C(=O)Nc2ccccc2C)cc1 35311795 UWPSEQITPSCBTK-SEJPIABJSA-N 391.515 4.651 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)cc1 36360767 NVQNAFKNSSJRHR-UHFFFAOYSA-N 389.411 4.635 0 40 GJAB FC(F)(F)c1ccc(-c2nc(CN(C[C@@H]3CCOC3)C3CC3)cs2)cc1 40105887 LVYZCYRKWBXXKM-ZDUSSCGKSA-N 382.451 4.830 0 40 GJAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)s2)o1 41787950 OTGKEUNYMHMJIZ-MRXNPFEDSA-N 392.484 4.874 0 40 GJAB Brc1ncccc1Oc1nc(-c2ccncc2)nc2ccccc12 53584444 CLEGIOUPAKSTHC-UHFFFAOYSA-N 379.217 4.642 0 40 GJAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCC[C@H]1C1CCCC1 56602799 HQJRYPWYXWSEOQ-FQEVSTJZSA-N 390.549 4.589 0 40 GJAB Cc1ccc2[nH]c(=O)c(CNc3ccc(N4C[C@@H](C)C[C@H](C)C4)cc3)cc2c1 57718225 DVDOBZIIFOFVAV-ROUUACIJSA-N 375.516 4.931 0 40 GJAB Cc1ccc(N2C(=O)CC[C@H](C(=O)N3CCCCCC3)[C@H]2c2cccs2)cc1 58402604 QMOYPUUJNDIFIK-UGKGYDQZSA-N 396.556 4.943 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2nnc(COc3cccc(C)c3C)o2)c1 59176082 USJYSCYUDZWJLG-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1C 59351233 DCVVUMYZGZYLQL-LSDHHAIUSA-N 376.294 4.711 0 40 GJAB CC1CCN(C(=O)CNc2ccccc2Oc2ncc(Cl)cc2Cl)CC1 71818374 MENCBSJGWGUWPP-UHFFFAOYSA-N 394.302 4.851 0 40 GJAB C[C@](NC(=O)COc1ccc(Oc2ccccc2)cc1)(C1CC1)C(F)(F)F 72307912 WBZVKLPDJIEOQC-IBGZPJMESA-N 379.378 4.705 0 40 GJAB CC(C)n1cc(CC(=O)Nc2nc(-c3ccncc3)cs2)c2ccccc21 72403531 JMXLOJPBUXVYNT-UHFFFAOYSA-N 376.485 4.922 0 40 GJAB O=S(=O)(Cc1ccccc1Cl)N(CCc1cccs1)Cc1ccco1 77184001 FOKNASITTDZMLU-UHFFFAOYSA-N 395.933 4.569 0 40 GJAB CCc1nnc(-c2ccc(NC(=O)c3csc(Cc4ccccc4)n3)cc2)o1 78947430 SBUHYXUXWUGTDS-UHFFFAOYSA-N 390.468 4.599 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccncc2)C12CCCCC2 79464266 XJZMFYHIRLPWPM-UWJYYQICSA-N 391.515 4.761 0 40 GJAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccccc1SCC(F)(F)F 84579271 VLSHRMZDWKBUQZ-CQSZACIVSA-N 381.375 4.581 0 40 GJAB CCOC(=O)c1cc(-c2csc(C)n2)ccc1OCc1cccc(OC)c1 85397576 NWFJQPAZBYVIEV-UHFFFAOYSA-N 383.469 4.883 0 40 GJAB COc1cccc(CN2CCC3(CCN(Cc4ccc(F)cc4)CC3)CC2)c1 96047246 LEHMHNIBRLCAIP-UHFFFAOYSA-N 382.523 4.713 0 40 GJAB Cc1ccc(-n2ncc(C(=O)Nc3cc(C(C)C)n[nH]3)c2C2CC2)cc1Cl 97544908 PWAGLNDPFMGZIR-UHFFFAOYSA-N 383.883 4.810 0 40 GJAB COc1cccc(CCCNC(=O)CCCSc2ccc(Cl)cc2)c1 222690524 WIEQDTYNWMJJPK-UHFFFAOYSA-N 377.937 4.970 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccccc2F)CC1 222915990 VVHJEMMUCPOLDM-JOCHJYFZSA-N 398.522 4.629 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 222936130 UQJZRHWXFQMCMX-OAQYLSRUSA-N 394.515 4.907 0 40 GJAB CCCc1ccc(OCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 223367740 GBWSNLFWPJLPTD-UHFFFAOYSA-N 382.287 4.520 0 40 GJAB CC1CCN(Cc2ccc(C(=O)NCCOc3ccccc3C(C)C)cc2)CC1 223786105 MBYCPLXPLXCMNX-UHFFFAOYSA-N 394.559 4.851 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CN2CCCCC2)cc1 224872820 CIGQJPIKMDEMAU-UHFFFAOYSA-N 378.394 4.823 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)CCc3c(Cl)cccc3Cl)ccc21 225126562 GJWJSQKFAXRSHQ-UHFFFAOYSA-N 395.311 4.961 0 40 GJAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccc(F)cc1F 225803948 PSQUHKHMGOOFCT-UHFFFAOYSA-N 397.303 4.605 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225825098 LWYAFMOKTPTSMJ-JOCHJYFZSA-N 393.524 4.822 0 40 GJAB Cc1cc(N2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)nc(C)n1 257216722 CVVGOAXUWPXKLF-HXUWFJFHSA-N 376.479 4.602 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl 408575789 RIGUUOCUASDXID-UHFFFAOYSA-N 390.936 4.694 0 40 GJAB O=C(Oc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408659288 KNHOANYEPYNIHN-KRWDZBQOSA-N 391.854 4.966 0 40 GJAB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 408673501 WZMFLYNATZZSSD-LJQANCHMSA-N 399.490 4.971 0 40 GJAB Cc1cccc(OCc2nn(CC(=O)Nc3ccccc3C(C)C)c(=S)o2)c1 409175874 WGNVCMQIOTXWOM-UHFFFAOYSA-N 397.500 4.855 0 40 GJAB Cc1nnc([C@@H]2CCCN(C(=O)NCCc3ccc(C4CCCCC4)cc3)C2)o1 665574175 IEPMLHQYLMUOPN-OAQYLSRUSA-N 396.535 4.557 0 40 GJAB CCCc1cc(C(=O)OC)c(NC(=O)c2ccc(OCC(C)C)cc2)s1 659214 NQZJACIJMUDUPI-UHFFFAOYSA-N 375.490 4.774 0 40 GJAB O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cccc(F)c1 689103 LKRHDPBXCZSIGL-UHFFFAOYSA-N 377.238 4.964 0 40 GJAB CC[C@@H](C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901086 CUHNRKKWXFFOAW-NEPJUHHUSA-N 383.439 4.558 0 40 GJAB CC[C@H](C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901089 CUHNRKKWXFFOAW-RYUDHWBXSA-N 383.439 4.558 0 40 GJAB CCCN(C(=O)c1cc(OC)cc(OC)c1)c1nnc(-c2cccc(C)c2)s1 1345433 SFEICKIKPUVXJF-UHFFFAOYSA-N 397.500 4.588 0 40 GJAB Cc1ccccc1COc1c(Br)cc(C=O)cc1Br 1440336 MYMRHUKDUKNADU-UHFFFAOYSA-N 384.067 4.912 0 40 GJAB CC(C)Cc1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1CCC2 2214682 ODDPJRVMUOABQZ-CYBMUJFWSA-N 382.533 4.518 0 40 GJAB Cc1ccc(Nc2nc(CSc3nnc(-c4ccncc4)n3C)cs2)cc1 2662042 XQOQUQBHKVSYKJ-UHFFFAOYSA-N 394.529 4.678 0 40 GJAB CCCCn1c(SCC(=O)c2ccc(CC)cc2)nc2ccccc2c1=O 3405594 VSPFJWYMTCVCEY-UHFFFAOYSA-N 380.513 4.734 0 40 GJAB O=C(Cc1cccc(C(F)(F)F)c1)NCC1(N2CCCCC2)CCCCC1 3504468 FLNSJFSEUCKFMI-UHFFFAOYSA-N 382.470 4.553 0 40 GJAB Cc1cccc(N2C[C@](O)(c3ccc(Cl)c(Cl)c3)[N+]3=C2CCCCC3)c1 4086889 QSCHETRKBUGBBU-NRFANRHFSA-N 390.334 4.952 0 40 GJAB CCCCNC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 4133025 LDMVDZUQLDJKKB-UHFFFAOYSA-N 385.577 4.564 0 40 GJAB Cc1nnc2ccc(-c3cccc(NC(=O)c4cc(Cl)ccc4Cl)c3)nn12 5168875 ZQXDXMGATUBKFQ-UHFFFAOYSA-N 398.253 4.659 0 40 GJAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCCc2ccccc21 5185818 KJEYWPNWPJEDGX-UHFFFAOYSA-N 397.478 4.595 0 40 GJAB O=Cc1ccc(C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 5404935 UCDTUOWTQRANCU-UHFFFAOYSA-N 383.403 4.687 0 40 GJAB O=C([C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1)N1CCCCC1 5472509 HZHAXVPSKDLDOL-GOSISDBHSA-N 379.485 4.583 0 40 GJAB COC(=O)c1ccc([C@@H]2C3=C(N=C4N=NNN42)[C@@H](C2CCCCC2)CCC3)cc1 5867962 UNSZUPWZLXBDQR-YLJYHZDGSA-N 393.491 4.706 0 40 GJAB O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F 5978537 IQYBYAHNDCBKHV-UHFFFAOYSA-N 391.267 4.520 0 40 GJAB CC(C)(C)c1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 6306163 QCPBCCADLXCQEP-UHFFFAOYSA-N 395.528 4.683 0 40 GJAB Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cc2ccccc2o1 6479983 BEZRPRKZBFFPHL-UHFFFAOYSA-N 398.875 4.613 0 40 GJAB O=c1[nH]c(CSC2=Nc3ccccc3CS2)nc2sc3c(c12)CCC3 6653977 XHYVYGMZBDEMIL-UHFFFAOYSA-N 385.539 4.641 0 40 GJAB Cc1ccc(OCC(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)cc1 6809645 BKDSYXQUZUBVCF-UHFFFAOYSA-N 392.432 4.814 0 40 GJAB O[C@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N(C/C=C/c1ccccc1)CC2 6927227 RDZKUDPALZMKLW-CPCGSPRYSA-N 391.511 4.797 0 40 GJAB biogenic Cc1cccc(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1 7595112 JBVJMGRIECOZBG-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(Cl)c3)cc21 8959693 QGSJDCZSROJXIJ-UHFFFAOYSA-N 386.879 4.754 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 9051105 WMVHFLAFNXLILG-GOSISDBHSA-N 395.528 4.669 0 40 GJAB CC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1cccc2ncccc12)c1ccccc1 9513712 LHFPSJMPZKYFQA-KSFYIVLOSA-N 376.456 4.546 0 40 GJAB COc1cc(Cl)c(NC(=O)Cc2csc(-c3ccccc3)n2)cc1OC 11061086 GLNUPHODBYMSJF-UHFFFAOYSA-N 388.876 4.662 0 40 GJAB Cn1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)n1 12444374 CWTRNPGMXNUOFE-UHFFFAOYSA-N 394.525 4.889 0 40 GJAB COc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)cc1Cl 12559810 QVMICRZWIIUGCG-HNNXBMFYSA-N 387.911 4.778 0 40 GJAB Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12627994 VJSSKXUVWRYTRX-HXUWFJFHSA-N 377.488 4.737 0 40 GJAB O=C(O)CCC[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 12649904 UIDAXORFQBOKLU-QGZVFWFLSA-N 393.483 4.902 0 40 GJAB O=C(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12761341 SDLGBWDAUJNBQT-INIZCTEOSA-N 378.255 4.742 0 40 GJAB O[C@@H](COc1c(Cl)cccc1Cl)CN1CC=C(c2ccccc2)CC1 12806479 SXCWIOADTLRJKG-QGZVFWFLSA-N 378.299 4.522 0 40 GJAB O=C(Nc1ccccc1)Nc1ccc2cc(C(=O)c3ccccc3O)cnc2c1 12880025 LZWTYDOVYZUOJJ-UHFFFAOYSA-N 383.407 4.815 0 40 GJAB CCC[C@@H](C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccccc1 12975573 FKNMFPVHZUQTFR-IFMALSPDSA-N 392.543 4.675 0 40 GJAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2c(C)nn(-c3ccccc3C)c2C)on1 19237588 DIZYHATZHXRYBC-SIKLNZKXSA-N 378.520 4.595 0 40 GJAB Cc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 19933898 KRIXJRCPRLVPOO-UHFFFAOYSA-N 384.523 4.920 0 40 GJAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(Cc1ccccc1Cl)C3 20403882 UBXGQZGCLYRQBM-UHFFFAOYSA-N 381.859 4.677 0 40 GJAB CCc1nn2c(C)c(C(=O)Nc3ccc(Cl)cc3)nnc2c1-c1ccccc1 20633737 JQBJNWXQPFNQIT-UHFFFAOYSA-N 391.862 4.568 0 40 GJAB CCN(CC)c1c(S(=O)(=O)c2ccc(C)c(C)c2)cnc2ccc(OC)cc12 22574072 UMHWIMOFFLECLE-UHFFFAOYSA-N 398.528 4.539 0 40 GJAB CSc1ccccc1NC(=O)COc1ccc(C2SCCS2)cc1 25012204 FBJILMSIAZSGLZ-UHFFFAOYSA-N 377.556 4.905 0 40 GJAB CCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 27662468 MBMBJOUFZLAVSQ-IBGZPJMESA-N 386.561 4.884 0 40 GJAB C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cc(Br)cn1 28304450 DEIZTLILQCDSPM-SSDOTTSWSA-N 396.594 4.518 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(OC(C)C)cc1 30864575 BWJUJYMFOUHCJJ-JOCHJYFZSA-N 383.532 4.997 0 40 GJAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967559 GGXNOYPLRJIIIJ-GOSISDBHSA-N 389.377 4.687 0 40 GJAB O=C(Nc1ccccc1Cl)[C@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32092643 IOJHMVPPEIMXQJ-MRXNPFEDSA-N 384.798 4.514 0 40 GJAB COc1ccc(-c2nc(-c3nnc(Nc4ccc(C)cc4)s3)c(N)o2)cc1 35681786 MSXBMGJGWLKRKO-UHFFFAOYSA-N 379.445 4.503 0 40 GJAB COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38835069 VMJPMPVQETUMCV-HNNXBMFYSA-N 393.314 4.853 0 40 GJAB COc1ccccc1NC(=O)Cn1c(Cc2ccccc2C)nc2ccccc21 40301313 RPHUDGIRAXRKPU-UHFFFAOYSA-N 385.467 4.583 0 40 GJAB Cc1nc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)sc1C 40309008 YCACERYPFNNYMI-UHFFFAOYSA-N 396.468 4.719 0 40 GJAB biogenic O=C(NC1CC1)[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 57338242 XIOOFUODGUWQJW-NRFANRHFSA-N 380.875 4.710 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)c1 59227284 DVFGGHCZRAZNDS-GFCCVEGCSA-N 396.796 4.659 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72359038 IGNMLAWTBCYIGG-OAHLLOKOSA-N 398.919 4.582 0 40 GJAB Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)C2CCCC2)n1 72377065 YTXYSTGZXKGTLM-SFHVURJKSA-N 384.911 4.623 0 40 GJAB Cc1ccc(-c2nc(CC(=O)Nc3nc(-c4cccn4C)cs3)cs2)cc1 84172098 JPRQCBZRKCJPBB-UHFFFAOYSA-N 394.525 4.762 0 40 GJAB COC(=O)c1c(C)n(C(=O)COc2c(C)cc(C)cc2Cl)c2ccccc12 216800426 OLZIOOCKMKKZNN-UHFFFAOYSA-N 385.847 4.726 0 40 GJAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222666899 CCQIVDYJCUBHSH-IBGZPJMESA-N 394.559 4.514 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1cc(C)ccc1C 224024997 AUMPDVQQDABORH-NRFANRHFSA-N 377.484 4.809 0 40 GJAB CCOc1ccc(S(=O)(=O)N(CC)c2ccccc2-c2ccccc2)cc1 224604275 NEWPDPVQDPAFMW-UHFFFAOYSA-N 381.497 4.968 0 40 GJAB CC[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 225482176 LDXCPNJTOHEYDS-FQEVSTJZSA-N 381.545 4.750 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225808835 BMPGHIYHWVZPFU-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB Fc1ccccc1C[n+]1cc(Br)cc(-c2nc3ccccc3o2)c1 226308043 JGVADIIVROTOHP-UHFFFAOYSA-N 384.228 4.732 0 40 GJAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccc(-c2ccsc2)cc1 244998622 KMTCETRZYJNINA-FQEVSTJZSA-N 398.553 4.528 0 40 GJAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CCC(=O)OC[C@@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C 245239437 IWMSSVYTWMLNDF-AXXPURLMSA-N 388.548 4.593 0 40 GJAB C[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc2c(c1)OCO2 257246075 ISJDXLCYRNUPEB-QEEDKRAYSA-N 396.439 4.534 0 40 GJAB Cc1cc(C)nc(N2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)n1 257252638 JVNKPSVKRGASCR-FQEVSTJZSA-N 376.479 4.602 0 40 GJAB CC(C)(C)OC1CC(CCNC(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1 511930165 MKEQKSGQMQJMSD-UYSNPLJNSA-N 390.490 4.734 0 40 GJAB CC(C)(CNC(=O)CCCCc1ccc(Br)cc1)c1ccncc1 678172478 OOXUNLIHSQBKPY-UHFFFAOYSA-N 389.337 4.651 0 40 GJAB CCOc1ccc(-c2nn3c(CSCc4ccccc4)nnc3s2)cc1 1501040046 ZSBVHYSAFLTWQQ-UHFFFAOYSA-N 382.514 4.685 0 40 GJAB O=C(Nc1cccnc1Cl)c1cc(Br)ccc1Br 682469 CABHUQHTNWWAKU-UHFFFAOYSA-N 390.462 4.512 0 40 GJAB O=C1c2ccccc2[C@@H]2N1CCCN2C(=O)c1sc2ccccc2c1Cl 1048068 KRRNJWNNXQJXKX-GOSISDBHSA-N 382.872 4.555 0 40 GJAB Cc1ccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C2CC2)cc1 1364769 KJUSHWOCTFDZJL-UHFFFAOYSA-N 375.472 4.650 0 40 GJAB CCCOC(=O)COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 1774610 QTKSQGZSCBHRTG-UHFFFAOYSA-N 382.412 4.534 0 40 GJAB COc1ccc(-c2nnc3sc(-c4ccc(C(C)(C)C)cc4)nn23)cc1OC 2323319 ZQTZFUFCPLLWOJ-UHFFFAOYSA-N 394.500 4.835 0 40 GJAB O=C(Oc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1)C1CC1 2414916 SDWXBCNLXWBJJI-UHFFFAOYSA-N 385.213 4.538 0 40 GJAB biogenic Cc1ccccc1CN1C(=O)[C@@](O)(c2c(C)[nH]c3ccccc23)c2ccccc21 2438261 DVMNMCGBOMOJDV-VWLOTQADSA-N 382.463 4.567 0 40 GJAB O=C1CN(C(=O)CC2CCCCC2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2456400 JZGOUXVWGMPISC-HSZRJFAPSA-N 398.453 4.805 0 40 GJAB O=C(c1ccc(Br)c(F)c1)c1ccccc1CN1CCCCC1 2515514 JCNSWDVRYRDEIJ-UHFFFAOYSA-N 376.269 4.805 0 40 GJAB COc1cccc2cc(-c3cn(-c4ccc(F)c(F)c4)c(=S)[nH]3)c(=O)oc12 2957855 AODBSCTZURSBSY-UHFFFAOYSA-N 386.379 4.595 0 40 GJAB COc1cc(C(=O)Oc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC 3195996 VIPIZVRALRUFEX-UHFFFAOYSA-N 394.423 4.511 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Nc2cccc(C)c2)sc2c1CCCC2 3285856 NRWDHFTZCIZKHQ-CQSZACIVSA-N 386.517 4.551 0 40 GJAB COc1ccccc1CN(C)CC(=O)Nc1ccccc1Oc1ccccc1 3410490 DLNYVZNNBGIUAQ-UHFFFAOYSA-N 376.456 4.558 0 40 GJAB O=c1oc2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2s1 3654285 HQQOXCSZEABOPZ-UHFFFAOYSA-N 389.498 4.703 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4033916 FHHXHTCTNDKNMK-UHFFFAOYSA-N 377.831 4.901 0 40 GJAB Cc1c(CCC(=O)NC2CC2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 4089230 JBEJYRQWHSMVAB-UHFFFAOYSA-N 387.435 4.726 0 40 GJAB biogenic CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1 4176025 VTIGYTATBUBVGG-UHFFFAOYSA-N 379.485 4.579 0 40 GJAB O=C(Cc1ccccc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 4273194 VWWJYLOFPPAWIU-UHFFFAOYSA-N 377.444 4.606 0 40 GJAB CC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2-c2nc3ccccc3s2)C1 4275248 BASYUMIEGJMSHS-UHFFFAOYSA-N 399.541 4.524 0 40 GJAB Clc1ccc(-n2c(SCCN3CCCCC3)nnc2-c2cccnc2)cc1 4858621 FDCJKPNIWXLCIS-UHFFFAOYSA-N 399.951 4.561 0 40 GJAB CCCCN(C(=O)Cc1ccccc1OC)c1nnc(-c2ccc(F)cc2)s1 4880444 GYZXNXSPWYLYFA-UHFFFAOYSA-N 399.491 4.729 0 40 GJAB O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCN1C(=O)NC1CCCCC1 4893879 JNSHNQHWRBQPIE-JOCHJYFZSA-N 391.515 4.799 0 40 GJAB CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)cc1)C2 4910720 AYGPFEFXZVSFDS-KRWDZBQOSA-N 383.488 4.982 0 40 GJAB Cc1csc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 5148477 HRVHRGFOSOZFQP-UHFFFAOYSA-N 376.503 4.614 0 40 GJAB Cn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccco1 5861872 ZETRXLZFMZWVHA-LJQANCHMSA-N 375.453 4.791 0 40 GJAB CN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(Cl)c1Cl 6084481 MGGPRDPJTUOBNW-SFHVURJKSA-N 377.315 4.619 0 40 GJAB Cc1cc(C(=O)CSc2ncnc3ccccc23)c(C)n1Cc1ccco1 6280761 HYPSRPRKHKIFFZ-UHFFFAOYSA-N 377.469 4.664 0 40 GJAB COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cccc(O)c3)C[C@H]21 7596952 UXOLMIYVGFZAIQ-UTKZUKDTSA-N 378.453 4.705 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccccc3F)c2n1 7896885 JSXVBZGITBUJGI-UHFFFAOYSA-N 393.245 4.684 0 40 GJAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)C(Cl)(Cl)Cl 8071547 LKBVQFOPCKWOAL-UHFFFAOYSA-N 397.483 4.696 0 40 GJAB O=C(COc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8915838 NOXBCRNNZNWTSJ-IBGZPJMESA-N 394.298 4.580 0 40 GJAB C[C@H](Oc1ccc(NC(=O)c2ccccc2)cc1)C(=O)NC1CCCCCC1 9389442 JGITYNCIHBKNJB-KRWDZBQOSA-N 380.488 4.545 0 40 GJAB Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccnc2)c1 9411852 BUTRFAZZUUPNQV-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)c1 10225044 OFSREDWQHZBMAA-SFHVURJKSA-N 375.516 4.991 0 40 GJAB CC(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 12137919 BOYQEXSKOWOHRM-SFHVURJKSA-N 389.879 4.937 0 40 GJAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C1 12525547 MNUPAGSEYPCIKA-IYBDPMFKSA-N 379.529 4.973 0 40 GJAB CCOc1ccccc1NC(=O)c1sc(COc2ccc(C)cc2)nc1C 12923586 YAHVLJNTPSLSOY-UHFFFAOYSA-N 382.485 4.990 0 40 GJAB O=C(O)/C=C/c1ccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1 12992875 YIOGOGPRCYBXIB-MDWZMJQESA-N 391.398 4.755 0 40 GJAB Cc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(F)cc3)cc12 16841197 WUTVUZZSFKBHOU-UHFFFAOYSA-N 392.459 4.575 0 40 GJAB FC(F)(F)c1ccc(NC(=S)N2CCN(c3ccc(Cl)cc3)CC2)cc1 17081789 JWQNJHDYICCELD-UHFFFAOYSA-N 399.869 4.878 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)[C@H](C)n2nccc2C)n1 19691269 XGKHXBRUUDOTPY-JTSKRJEESA-N 392.478 4.626 0 40 GJAB COc1ccc(Nc2nn(-c3nc4ccccc4s3)c3c2C(=O)CCC3)cc1 19817249 ABXLKKLBCOKSPG-UHFFFAOYSA-N 390.468 4.753 0 40 GJAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)C(c1ccccc1)c1ccccc1 20137054 SBCMEJYHCZBROA-UHFFFAOYSA-N 395.842 4.817 0 40 GJAB COc1ccc(CSCC(=O)NCCSCc2ccccc2Cl)cc1 20237774 GJGOXPXJIUKQFM-UHFFFAOYSA-N 395.977 4.631 0 40 GJAB O=C1CCCN1Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 20450332 OIMIACBUKIRLET-UHFFFAOYSA-N 398.506 4.652 0 40 GJAB CC(C)c1ccc(OCC(=O)N2CCCC[C@H]2CCN2CCCCCC2)cc1 21148740 WTSHHERWGCTIHL-QFIPXVFZSA-N 386.580 4.836 0 40 GJAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)c(C)s2)cc1 24008413 NBSTYPSXLJINQX-UHFFFAOYSA-N 381.453 4.771 0 40 GJAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)cc1OC 26771720 QZYSXKPKTXYODP-GVXSCFBNSA-N 395.543 4.881 0 40 GJAB biogenic Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1C 27583038 CZOJTKRDUCIRLL-INIZCTEOSA-N 379.460 4.883 0 40 GJAB COc1ccccc1C(=O)Nc1cc(-c2nc3cnccc3o2)ccc1Cl 32102463 QQAZSQVENGQHDU-UHFFFAOYSA-N 379.803 4.804 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 32610140 GSDPNBNEROOKQT-NWDGAFQWSA-N 398.286 4.655 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC[C@@H]1c1cccs1 32716662 OHJRRAOHEHDWDP-HXUWFJFHSA-N 379.529 4.847 0 40 GJAB CCCCc1nc(Cl)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 35644898 QUIJTMPWWMXUEY-UHFFFAOYSA-N 392.894 4.775 0 40 GJAB in-vitro COc1ccc(NC(C)=O)cc1NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 40103991 ZFUQCCDMIOZALA-LBPRGKRZSA-N 375.856 4.532 0 40 GJAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 41077002 FJHIHXONPDGUAN-UHFFFAOYSA-N 389.377 4.601 0 40 GJAB COc1cc(OC)c2[nH]c(C(=O)N(Cc3ccccc3)Cc3ccco3)cc2c1 45909422 ZOZZVIJIGAXTRM-UHFFFAOYSA-N 390.439 4.621 0 40 GJAB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc(Cl)c(Cl)c1 58158163 WCTCFIMYNKFJDP-UHFFFAOYSA-N 375.255 4.929 0 40 GJAB COC(=O)/C=C/c1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 62715480 QEOGDIUKUCVEIM-BQYQJAHWSA-N 391.261 4.531 0 40 GJAB Clc1cccc(-c2nnn3c2nc(NCc2ccco2)c2ccccc23)c1 67261497 CGKLYANHFNTTOW-UHFFFAOYSA-N 375.819 4.803 0 40 GJAB O=C(Nc1ccnn1C[C@@H]1CCOC1)c1sc2cc(Cl)ccc2c1Cl 69922198 WXPKVQKQDBPEPN-JTQLQIEISA-N 396.299 4.693 0 40 GJAB C[C@H]1CCCC[C@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 71084645 YGBJSIBWMAKQPS-NPMXOYFQSA-N 379.456 4.559 0 40 GJAB CCN(C)C(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1 95947901 WQWOSIZEUQENPO-UHFFFAOYSA-N 393.512 4.771 0 40 GJAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)Nc1cc(F)ccc1Cl 98211289 JAIWPUOTWBSMAM-UHFFFAOYSA-N 396.809 4.636 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)cc1 105332999 BNRMPFXVQOEUSG-UHFFFAOYSA-N 378.497 4.954 0 40 GJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 105547323 OXPWZTLOFUZAJW-CWRNSKLLSA-N 385.895 4.707 0 40 GJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(O)cc3)N21 222708182 HVNHJGGOJWWVHH-ONGXBYRLSA-N 390.512 4.557 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 222975702 AYVLMLDXJPEKAG-JOCHJYFZSA-N 396.531 4.573 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)C 223015585 RRPGLFILYHMQQW-LJQANCHMSA-N 388.895 4.583 0 40 GJAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(CN2CCCC2)cc1 224000231 ABCULTBGUUJLII-UHFFFAOYSA-N 398.919 4.707 0 40 GJAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COC(C)C 224424725 MUBWJHWTWNJBJS-UHFFFAOYSA-N 378.266 4.635 0 40 GJAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1C 224459626 KFEABFZXUYMSQY-RTBURBONSA-N 382.920 4.559 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224472320 XFZMNUJPWJULTI-NRFANRHFSA-N 383.532 4.954 0 40 GJAB COc1cc2c(cc1S(=O)(=O)Nc1ccc3c4c(cccc14)CC3)CCCC2 225201272 ZOOPIQORHYGOJJ-UHFFFAOYSA-N 393.508 4.627 0 40 GJAB CC1CCN(c2ccc(N)cc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 226253127 ZXYRPJZFCUBOCM-UHFFFAOYSA-N 395.547 4.820 0 40 GJAB Cc1cc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)ccn1 257226196 FJORKDKVPBSLHG-GOSISDBHSA-N 376.456 4.728 0 40 GJAB Oc1cccc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)c1 257295008 QWPCBZNJJOSOLO-RBBKRZOGSA-N 399.918 4.941 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1 408610694 RKVVPJXGJOXQKK-UHFFFAOYSA-N 376.544 4.647 0 40 GJAB Cc1cc2nc(-c3cccc(NC(=S)NC(=O)C(C)C)c3C)oc2cc1C 408620475 JHFLTBHNCLLULG-UHFFFAOYSA-N 381.501 4.889 0 40 GJAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 408627139 KOOLCMQBVBVPAF-CQSZACIVSA-N 387.936 4.846 0 40 GJAB CC(C)(C)NC(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408976412 FOHIVPJHQPPGPO-UHFFFAOYSA-N 390.516 4.705 0 40 GJAB O=C(Cn1ccs/c1=N\C(=O)c1ccccc1-c1ccccc1)c1ccccc1 409207689 XKTXDCUMOTVHNS-IZHYLOQSSA-N 398.487 4.841 0 40 GJAB Cc1nn(CCNC(=O)CCSc2ccccc2)c(C)c1-c1ccsc1 575616152 WYTRTROMFIEHQS-UHFFFAOYSA-N 385.558 4.527 0 40 GJAB O=C(NCc1nccnc1-c1ccsc1)Nc1ccc(C(F)(F)F)cc1 575619690 OVWVBFWFXQKPDF-UHFFFAOYSA-N 378.379 4.546 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@@H](C)Cc2csc3ccccc23)cc1OC 575621725 RVUMFCBIVJUUQA-GDXASINISA-N 381.497 4.679 0 40 GJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(C)c1C 949588 WFWXNVURROVILW-UHFFFAOYSA-N 378.428 4.559 0 40 GJAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(OC)cc1 959486 OVKCMEIEOCEBGY-UHFFFAOYSA-N 399.443 4.992 0 40 GJAB CCn1c(-c2ccccc2)nn(CN2CCC(c3ccccc3)CC2)c1=S 1425950 CGLAJEGUYBLNAL-UHFFFAOYSA-N 378.545 4.938 0 40 GJAB CCOc1ccc(-n2c(SC(C)C)nc3c([nH]c4ccccc43)c2=O)cc1 2720832 BLUVHWUJHVFBGB-UHFFFAOYSA-N 379.485 4.766 0 40 GJAB O=C(Oc1ccc(Br)cc1)c1ccc(NC(=O)c2ccco2)cc1 3141082 PTHRXYNTSJSKEP-UHFFFAOYSA-N 386.201 4.514 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)NCCC3=CCCCC3)s2)cc1 3244207 JGQQPFXXJFKJTE-UHFFFAOYSA-N 388.562 4.689 0 40 GJAB OC1=N[C@H](c2ccccc2F)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 3647461 FDZIEOFCTPCQMG-FQEVSTJZSA-N 393.487 4.874 0 40 GJAB CNC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCCC2 4326428 YBYBNONDZVEXPC-UHFFFAOYSA-N 389.329 4.607 0 40 GJAB COc1ccccc1-c1nnc2sc(COc3ccc(C(C)(C)C)cc3)nn12 4664922 VWVROKGAJVNVCB-UHFFFAOYSA-N 394.500 4.738 0 40 GJAB Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1cccc(Cl)c1 4882534 DCCUFNPNOTVUHZ-UHFFFAOYSA-N 396.899 4.532 0 40 GJAB COc1cccc(-n2c(SCc3ccc(F)cc3)nc3ccccc3c2=O)c1 4979317 ODOFTTCKIUGGPN-UHFFFAOYSA-N 392.455 4.826 0 40 GJAB Cc1cccc(-c2ocnc2C(=O)Nc2ccccc2NC(=O)c2ccccn2)c1 5001983 LEAMTBZWLSFIAW-UHFFFAOYSA-N 398.422 4.550 0 40 GJAB Cc1cc(C(=O)CSc2nncn2-c2cccc(Cl)c2)c(C)n1C1CC1 5892631 LEYZWAHCRISTDF-UHFFFAOYSA-N 386.908 4.649 0 40 GJAB Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2)cc1 5905411 MZXLNMGUJGGFJN-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB CCCCN1C(=O)S[C@@H](Cc2ccccc2OCc2ccc(F)cc2)C1=O 6647663 UCRPJQXZNQHBAG-IBGZPJMESA-N 387.476 4.811 0 40 GJAB CSc1ccccc1N[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 6786882 QHYGOCGRZGQQIJ-FQEVSTJZSA-N 398.553 4.540 0 40 GJAB Cc1nc2ccc(NC(=S)Nc3cccc(Br)c3)cc2nc1C 6792510 DAGZKZXVMMJDPC-UHFFFAOYSA-N 387.306 4.818 0 40 GJAB CCCCC1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 6917137 ZROAUYXIIJOMHW-FAEJEUNOSA-N 388.508 4.512 0 40 GJAB C[C@H](NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C(=O)N1CCCC1 8278690 GGUQUFMJOJZONL-QFBILLFUSA-N 395.934 4.554 0 40 GJAB CCSCCCc1nnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1 8742553 GHHVFIGGMKLUOY-UHFFFAOYSA-N 390.456 4.887 0 40 GJAB CC[C@@H](C(=O)Nc1nnc(COc2cc(C)ccc2C)s1)c1ccccc1 8767919 JOGORMKPBUUECC-QGZVFWFLSA-N 381.501 4.866 0 40 GJAB CN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 10128095 QCHUCHCYTJLSJS-JOCHJYFZSA-N 389.426 4.552 0 40 GJAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 10339944 CNZHLTKRRFORMM-QHCPKHFHSA-N 399.494 4.715 0 40 GJAB COc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 12819390 HJHQMLCCPRQVCI-GDNBJRDFSA-N 389.839 4.675 0 40 GJAB O=C(Nc1ccc(N2CCOCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 14870834 KYZQNAHQKBUYBD-LYBHJNIJSA-N 384.479 4.703 0 40 GJAB Cc1cc(-n2c(C)cc(C3=NN=C(Nc4cccc(Cl)c4)SC3)c2C)no1 15452824 PLHONSZRCIPMSS-UHFFFAOYSA-N 399.907 4.963 0 40 GJAB COc1ccc(C(=O)Nc2nnc(SC/C=C/c3ccccc3)s2)cc1 16742459 XRDUMOVRTAFMQL-VMPITWQZSA-N 383.498 4.605 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NC(c1ccccc1)c1ccccc1 20047871 AVEHANWNNNLUIW-JOCHJYFZSA-N 375.468 4.758 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1Cl 20458107 KWHFFUXPGCFWGW-UHFFFAOYSA-N 386.879 4.759 0 40 GJAB COc1cc(CN[C@H](C)c2ccccc2Br)cc(Cl)c1OC 22777726 IMMKIBGHYUGSAN-LLVKDONJSA-N 384.701 4.971 0 40 GJAB COc1ccc(-c2nc(CSCC(=O)N(C)c3ccccc3)cs2)cc1 31413071 QNWXJOTZFTYZJD-UHFFFAOYSA-N 384.526 4.715 0 40 GJAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cccnc1Cl 32070108 HZDDZJHQIJDPRA-UHFFFAOYSA-N 376.799 4.761 0 40 GJAB Cc1ccc(C)c(-c2nn(C[C@@H](O)c3ccc(F)cc3)c(=O)c3ccccc23)c1 32907287 GGCREJYNYJFLOP-JOCHJYFZSA-N 388.442 4.553 0 40 GJAB Cc1ccn2cc(C(=O)Nc3ccc(-c4cn5cccc(C)c5n4)cc3)nc2c1 32937118 ZUEDNFQNRDUUEY-UHFFFAOYSA-N 381.439 4.518 0 40 GJAB CC(C)OCc1ccccc1CNC(=O)Cc1coc2cc3c(cc12)CCC3 36390560 UPUAEMXTEZUJHU-UHFFFAOYSA-N 377.484 4.705 0 40 GJAB Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)cc1 40051168 QWEPRKULYNNPFO-OAHLLOKOSA-N 392.455 4.825 0 40 GJAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(F)c(F)c1F 40128437 WMJKWGIDIXOTOP-UHFFFAOYSA-N 393.796 4.741 0 40 GJAB Cc1cccc(/C=C/c2ccnc3nc(N4c5ccccc5C[C@@H]4C)[nH]c(=O)c23)c1 40388421 WUSPHQPWZJJBCA-DVQDXYAYSA-N 394.478 4.880 0 40 GJAB C[C@@H](NC(=O)COc1cccc(-c2nc(-c3ccccc3)no2)c1)c1ccccc1 72242810 MWDCRFAKIAGQQA-QGZVFWFLSA-N 399.450 4.660 0 40 GJAB CCCN(C)C[C@@H]1CCN(C(=O)Nc2ccccc2Oc2cccc(F)c2)C1 72309873 VUTCHZGSTGOVFS-KRWDZBQOSA-N 385.483 4.814 0 40 GJAB Cc1ccc(Cc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1C 72333556 BUPPYOXCKIEJEJ-UHFFFAOYSA-N 378.545 4.861 0 40 GJAB COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72349651 UOARWDMRGOUMDZ-HXUWFJFHSA-N 378.516 4.577 0 40 GJAB COc1ccc(Cl)cc1NC(=O)N1CCC(CSc2ccccn2)CC1 90608067 ZQKBZJDOFXTVSA-UHFFFAOYSA-N 391.924 4.780 0 40 GJAB Clc1ccc(OCc2cccnc2)c(CN2CCN(c3ccccc3)CC2)c1 96797763 BPQQNUSAPAOOGZ-UHFFFAOYSA-N 393.918 4.636 0 40 GJAB COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3onc(C)c32)cc(OC)c1O 102734631 VOMMBYSDQHOTRS-QGZVFWFLSA-N 384.432 4.556 0 40 GJAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCCc1cccc(F)c1 105933213 PICSKSOYTRNIMN-JZFKGDSASA-N 394.328 4.608 0 40 GJAB CCCC/N=C1\S/C(=C\c2ccc(Br)o2)C(=O)N1CCCC 109597133 VDEWXMAFIAUCLY-JFWUGYCESA-N 385.327 4.915 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)n(-c2ccc(NC(=O)CCC(=O)O)cc2)c1C 199412733 GFGLFGATSUUWRU-UHFFFAOYSA-N 397.862 4.613 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccccc2C)cc1 223627100 IWTRMESZDKPBEW-OSVNEOKWSA-N 388.467 4.545 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)NCC2=CCCCC2)c(Br)c1 224251165 VSRWAICSBZUEOA-UHFFFAOYSA-N 380.326 4.742 0 40 GJAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1cccc(F)c1 224876182 ITRNCGOWSAIYSB-UHFFFAOYSA-N 389.224 4.815 0 40 GJAB O=C(NCCSC1CCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 225332531 VLOWOWVSJDOWLZ-UHFFFAOYSA-N 394.584 4.651 0 40 GJAB CCC1(CC)C[C@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC 256051124 HVEKNXRPQDDQLH-DEOSSOPVSA-N 393.483 4.647 0 40 GJAB CC(C)n1nccc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257335990 YMRRTSCHBYWIBP-SFHVURJKSA-N 398.894 4.674 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)CSCc1ccccc1Br 408567817 RMCPFVBKUXZGGX-OAHLLOKOSA-N 392.362 4.820 0 40 GJAB CC(C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409069669 WUVCVFRGSGZQMM-CXUHLZMHSA-N 391.254 4.878 0 40 GJAB CCc1ccc(-c2noc([C@@H](C)NC(=O)c3cc(O)c4ccccc4c3)n2)cc1 527457391 OKKGRQRAVZBRIP-CQSZACIVSA-N 387.439 4.649 0 40 GJAB Cc1ncc(CN[C@H](C)c2nc(-c3ccc(Br)cc3)cs2)o1 628229094 JKRVEPAQCXFYBG-SNVBAGLBSA-N 378.295 4.720 0 40 GJAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CCC1CCC1)C2 643576174 QWICGDVCWTVYEV-YADHBBJMSA-N 383.580 4.653 0 40 GJAB O=S(=O)(NCCc1cccc2[nH]ccc12)c1cc2cc(Cl)ccc2s1 1211648582 OHFPCJTWBVGLEF-UHFFFAOYSA-N 390.917 4.557 0 40 GJAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(Cl)cc1 652126 HESNLBXDXNDGRA-UHFFFAOYSA-N 393.826 4.632 0 40 GJAB COc1cccc(C(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)c1 661347 LEBKXNJLDQALON-UHFFFAOYSA-N 390.464 4.794 0 40 GJAB O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)NC1CCCCC1 892252 OCRWGRUXNCGINB-UHFFFAOYSA-N 398.576 4.856 0 40 GJAB CC(=O)c1ccc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)cc1 898937 OUNANCVJHTUIDA-UHFFFAOYSA-N 375.453 4.795 0 40 GJAB COC(=O)c1c(NC(=O)[C@H](C)SCc2ccccc2)sc2c1CCCC2 982948 LSUREFYESQUKQB-ZDUSSCGKSA-N 389.542 4.674 0 40 GJAB Cc1ccc([C@H]2[C@H](C(=O)c3ccccc3)[C@@H](C(=O)c3ccccc3)CN2C)cc1 1398618 AOCPPFBBSZTNPG-VXNXHJTFSA-N 383.491 4.980 0 40 GJAB O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OCc2ccccc2)cc1 1869735 IYEKVWVDGMIYIV-UHFFFAOYSA-N 382.366 4.506 0 40 GJAB Cc1ccccc1-n1c(=S)sc2c(=O)n(-c3ccccc3)c(=S)[nH]c21 3027052 IPFSFRDCNQZIQA-UHFFFAOYSA-N 383.523 4.938 0 40 GJAB COc1cccc(C(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 3276498 KAULWGRMQYOARZ-JOCHJYFZSA-N 389.451 4.849 0 40 GJAB CSc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 3421458 FEWYVNXBGWJGMK-DHZHZOJOSA-N 395.402 4.622 0 40 GJAB CCCCNC(=S)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O 4134120 QMYMASMPAZSXRV-UHFFFAOYSA-N 399.585 4.575 0 40 GJAB COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccs3)nc12 4273231 LKZXRSXBPZWMFV-UHFFFAOYSA-N 381.482 4.608 0 40 GJAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1cc(Cl)ccc1Cl 5203427 JKRJWGSLJHMHJI-UHFFFAOYSA-N 378.255 4.680 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 6331216 YSRQPFHDHCVGMJ-UHFFFAOYSA-N 379.287 4.657 0 40 GJAB CCc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 6752786 MOKXJLTUCQAREX-QHCPKHFHSA-N 399.450 4.683 0 40 GJAB Cc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)cc1C 6786191 XSLCBXQNLUIMSK-MRXNPFEDSA-N 380.513 4.958 0 40 GJAB CC(C)c1ccc(Nc2nnc(SCC(=O)N[C@H](C)C(C)C)s2)cc1 6910118 MNLJGGQAINWIJF-CYBMUJFWSA-N 378.567 4.658 0 40 GJAB COc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3cccc(C)c3)n2)cc1OC 6948561 BFIVNJCBFFLAOY-CQSZACIVSA-N 398.484 4.542 0 40 GJAB Cc1ccc(CN(C)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)o1 6993490 IRBQWOGRUABKLC-UHFFFAOYSA-N 387.435 4.942 0 40 GJAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(s1)CC[C@@H](C)C2 7983278 NNOFHGZRXZVJDM-CYBMUJFWSA-N 385.489 4.568 0 40 GJAB O=C(NCc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1cccnc1 8076927 CHTPISYXFMUBSX-UHFFFAOYSA-N 388.858 4.518 0 40 GJAB Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2NC(=O)c3ccccc3N2)cc1 8192948 KXWORILXHBOPOE-DEOSSOPVSA-N 394.478 4.761 0 40 GJAB C[C@@H](NCc1ccc(OCC(=O)NC(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2 8534865 KFQMVQZMIDKOFA-PYZOSGAUSA-N 398.591 4.675 0 40 GJAB N[C@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(Cl)cc2)o1 8628736 NFOWIDAVDJHUOG-MRXNPFEDSA-N 384.892 4.739 0 40 GJAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cccc(C)c3)cc2)n1 9573390 GFCAJGVPFDWMSB-UHFFFAOYSA-N 389.503 4.936 0 40 GJAB CCOc1c(Br)cc(Cl)cc1NCC(=O)Nc1ccccc1C 10945041 BYZMQKUUGQNXNJ-UHFFFAOYSA-N 397.700 4.860 0 40 GJAB CSCC[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1nc2ccccc2[nH]1 12506850 GBYNZLOKBRKTEY-DNVCBOLYSA-N 399.585 4.963 0 40 GJAB CC(C)c1noc(CSc2nnc(-c3cccs3)n2-c2ccccc2)n1 12647990 GUHDOFLEGJZWOB-UHFFFAOYSA-N 383.502 4.795 0 40 GJAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)ccc1F 12778772 FBNHMPCKMJOYOS-UHFFFAOYSA-N 391.748 4.775 0 40 GJAB CSCc1nnc(SCC(=O)N[C@H](c2ccc(C(C)C)cc2)C(C)C)o1 12868175 KDELWCXPKFAUQY-SFHVURJKSA-N 393.578 4.662 0 40 GJAB CCn1c(SCc2cc(Cl)c3c(c2)OCO3)nnc1-c1cccs1 14094289 UKSJRGFPSABRNM-UHFFFAOYSA-N 379.894 4.701 0 40 GJAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 16086569 DQCFNPQSHVXEKE-INIZCTEOSA-N 379.481 4.596 0 40 GJAB CCCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 20609856 JZEOFIUBQDXKJZ-UHFFFAOYSA-N 386.455 4.852 0 40 GJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccnc1N1CCCC1 21742846 KZLNADUPMKRYMV-UHFFFAOYSA-N 390.921 4.773 0 40 GJAB CC1CCN(c2nc3nccc(-c4ccc(-c5ccccc5)cc4)c3c(=O)[nH]2)CC1 22606921 HHUGWXKWGOCDFI-UHFFFAOYSA-N 396.494 4.888 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1cccc(Cl)c1 22907762 ZXASLGHGYDFWRD-HXUWFJFHSA-N 396.943 4.931 0 40 GJAB CCCCOc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 24775829 AZBAXVCRYWDPCY-UHFFFAOYSA-N 375.852 4.933 0 40 GJAB COC(=O)c1occc1CSc1nc2ccccc2c(=O)n1C1CCCCC1 24973299 AWMMAXXRBFEHAM-UHFFFAOYSA-N 398.484 4.574 0 40 GJAB COc1ccc(C)cc1CCNC(=O)c1ccc(SCc2cscn2)cc1 24977875 OWFVARBHEFHJIT-UHFFFAOYSA-N 398.553 4.725 0 40 GJAB COc1cccc(/C=C(/C(=O)N(C)Cc2cccc(OC)c2)c2ccccc2)c1 25494370 QPCWRIZDRFKUFE-JJIBRWJFSA-N 387.479 4.903 0 40 GJAB O=C(/C=C/c1ccccc1OC(F)F)N(Cc1ccccc1)c1ccccn1 32885671 LDGYSGSALQQTBX-BUHFOSPRSA-N 380.394 4.930 0 40 GJAB COc1ccc2c(CN(CCCn3ccnc3)Cc3ccc(C)s3)c[nH]c2c1 36740414 QXJBMRLNNMBVEA-UHFFFAOYSA-N 394.544 4.835 0 40 GJAB Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)cc1 64471676 YUFQMJUMRRQMKR-UHFFFAOYSA-N 381.476 4.615 0 40 GJAB Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)cc1C 64471754 UTLPKQAEWSZNOO-UHFFFAOYSA-N 377.513 4.784 0 40 GJAB C[C@](O)(CNC(=O)Nc1c(F)cccc1F)c1ccc(-c2ccccc2)cc1 77102416 JYKWPUBGLRVEPU-QFIPXVFZSA-N 382.410 4.661 0 40 GJAB COc1ccc([C@H](C)NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1F 78413765 ZQLDFKVNPQUUIQ-AWEZNQCLSA-N 394.450 4.780 0 40 GJAB O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(c2c[nH]c3ncccc23)CC1 84445823 NZXBPAXCYHTEJH-WBVHZDCISA-N 379.426 4.638 0 40 GJAB CC(=O)N(c1ccc(C)cc1)c1nc(CNc2cccnc2OC(C)C)cs1 95972280 ZNYZCMVCSJSJHE-UHFFFAOYSA-N 396.516 4.930 0 40 GJAB CCOc1cc2c(cc1NC(=O)/C=C\c1cc(C)n(C3CC3)c1C)O[C@H](C)C2 96926062 PHNGAGMGRBJCMD-WUKHSURWSA-N 380.488 4.814 0 40 GJAB O=C(C1[C@@H]2CCCC[C@@H]12)N(Cc1cccc(F)c1)Cc1ccc2c(c1)OCO2 100730973 DUAGRDVDWHWIBB-RTBURBONSA-N 381.447 4.519 0 40 GJAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2Cl)C[C@@H](c2ccccc2O)C1 102601248 YFGMLQVDSWYVQU-MPBGBICISA-N 392.846 4.702 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1Cl 103718534 SQPLVNHBQHNPHO-NSHDSACASA-N 397.689 4.947 0 40 GJAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCS[C@@H](c2cccs2)CC1 219465262 JJZZFVVAMQYJDK-MRXNPFEDSA-N 375.544 4.520 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1Cl 222836579 PZYXMQGYOVYALW-UHFFFAOYSA-N 383.831 4.687 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 224837192 FCYRRCPHDBQUHF-XMMPIXPASA-N 394.559 4.763 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cccc4ccccc34)ccc21 225103040 XTPZLHRRGUEVNL-AWEZNQCLSA-N 392.480 4.642 0 40 GJAB C[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)N3CCC[C@@H](C)[C@H]3C)cc2)[C@@H]1C 252394282 DVMVMYMDLLKZEC-XMTFNYHQSA-N 386.540 4.991 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2-c2cn3c(n2)SCC3)c1C 390825884 MIIBAXSDNHOJNP-INIZCTEOSA-N 393.512 4.679 0 40 GJAB CC(C)c1c(NC(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)cnn1-c1ccccc1 585101407 IFQIGXCCDPMVOT-GHTZIAJQSA-N 396.535 4.809 0 40 GJAB CC(C)C[C@@H](C(=O)N(C)c1ccc(-c2ccccc2)cc1)N1CCCCC1=O 1265570639 LIBMTXFWAJJHPR-QFIPXVFZSA-N 378.516 4.744 0 40 GJAB COc1cccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)c1 2150386 DEPPEMNRJGOTQX-UHFFFAOYSA-N 391.423 4.736 0 40 GJAB biogenic O=C(NC(Cl)=C(Cl)Cl)Nc1ccc(Oc2ccc(F)cc2)nc1 2556097 PVQNJMWMEKRFQE-UHFFFAOYSA-N 376.602 4.978 0 40 GJAB C1=NC2=NC3=C([C@@H](c4cccs4)Oc4ccccc43)[C@@H](c3ccccc3)N2N1 2707207 HCIYGSKPFCTAAW-NHCUHLMSSA-N 384.464 4.552 0 40 GJAB CCCCc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCC(C)C)n1 4051375 MYCWENVFARNXCN-UHFFFAOYSA-N 375.534 4.909 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc(OC(C)C)cc3)n2)c(OC)c1 4173565 AUJGZAPDELBHKI-UHFFFAOYSA-N 398.484 4.867 0 40 GJAB COc1cccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)o2)c1 4496604 ADGXSTKRLDUANN-UHFFFAOYSA-N 389.864 4.520 0 40 GJAB CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 4547509 LGZWUMUMTLEEMA-UHFFFAOYSA-N 386.904 4.746 0 40 GJAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 4788661 VMSDSBBNXNQGRD-HOTGVXAUSA-N 378.453 4.569 0 40 GJAB Cc1ccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@@H]2c2ccccc2)cc1 4815002 CHFJRHLYPSIIJZ-PKTZIBPZSA-N 394.478 4.968 0 40 GJAB Cc1cc(-c2nnc(SCC(=O)c3ccc(Oc4ccccc4)cc3)o2)no1 4816059 BQICNKWYYNYUOY-UHFFFAOYSA-N 393.424 4.800 0 40 GJAB O=C(Nc1ncc(-c2cccnc2)s1)c1ncoc1-c1ccccc1Cl 4932779 BMRFFCPSLTVXFI-UHFFFAOYSA-N 382.832 4.766 0 40 GJAB Fc1ccc(C(CCCn2nnc(-c3cccnc3)n2)c2ccc(F)cc2)cc1 4967353 ZUPPXPKPJMJHRI-UHFFFAOYSA-N 391.425 4.626 0 40 GJAB Cc1nc(SCC(=O)N[C@@H]2CCCc3ccccc32)n(C2CCCC2)c1C 5090069 NCTNJXFOWFWZAS-HXUWFJFHSA-N 383.561 4.901 0 40 GJAB O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccccc1Br 5584071 LPDUYWRZSDDDPB-UHFFFAOYSA-N 388.048 4.718 0 40 GJAB O=C(N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21)C12CC3CC(CC(C3)C1)C2 5949060 HFLDOGSQQOTPAO-RESPQDPKSA-N 389.495 4.880 0 40 GJAB CC(C)c1ccc(C(=O)Nc2cc3c(cc2C(=O)O)OCCO3)c(C(C)C)c1 6935293 FIVFYAPNBDPTMV-UHFFFAOYSA-N 383.444 4.655 0 40 GJAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cnccn2)c1 8133972 ZQXJEAXPKJSQAR-UHFFFAOYSA-N 389.333 4.549 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1Cl 8218557 PCVJWJIQXFKPPD-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)cc1C 8477566 BPZZSZLFIGVBBB-INIZCTEOSA-N 377.937 4.774 0 40 GJAB CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 9158721 CMSOHMMMKBZCKE-UHFFFAOYSA-N 376.500 4.796 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1cc(-c2ccccc2)ncn1 12016761 SEZKVIBSGKKZGL-ZDUSSCGKSA-N 399.903 4.925 0 40 GJAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 12463082 DQTVULXYIJFHKA-HXUWFJFHSA-N 381.479 4.914 0 40 GJAB Cc1ccccc1NC(=O)Cc1nc(CSc2ccccc2C(=O)O)cs1 12812013 IEDSYIFZBSQJTD-UHFFFAOYSA-N 398.509 4.623 0 40 GJAB Cc1ccc(NC(=S)NP(=O)(Oc2ccccc2)Oc2ccccc2)nc1 13283164 WDQMEFHBYBBLTE-UHFFFAOYSA-N 399.412 4.943 0 40 GJAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14665419 ZXVKCYUSWXPTEB-MRXNPFEDSA-N 382.504 4.528 0 40 GJAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1Oc1ccccc1 17084868 WBUHAGLMUHIFPZ-FQEVSTJZSA-N 390.464 4.921 0 40 GJAB COc1ccc(Nc2ncc3c(n2)C[C@@H](c2cccc(Cl)c2)CC3=O)cc1 18141791 QCYDFBYWJOJOQH-CQSZACIVSA-N 379.847 4.795 0 40 GJAB CCCCc1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 19937694 PZAIJRUTQPNSAK-UHFFFAOYSA-N 395.890 4.614 0 40 GJAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccccc1C 20039158 CQGQWELUOXBGFS-LJQANCHMSA-N 377.937 4.855 0 40 GJAB COc1cccc(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 20039751 UDKMUIABDICYAT-FDDCHVKYSA-N 375.468 4.677 0 40 GJAB CC[C@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc(OC)cc1 20044918 AKRBXFCRANQGLD-JPYJTQIMSA-N 380.532 4.808 0 40 GJAB Cc1nc2cc(NC(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)ccc2o1 27390274 LDLKZRGKMRQMRS-UHFFFAOYSA-N 380.835 4.844 0 40 GJAB COc1ccc2nc(NC(=O)c3cc(-c4ccc(C)c(C)c4)on3)sc2c1 27580770 OROAMXINTIXLNN-UHFFFAOYSA-N 379.441 4.829 0 40 GJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCCN(Cc2cccs2)CC1 28037913 QTGLKCGLGDATIL-BQYQJAHWSA-N 394.462 4.515 0 40 GJAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc(SC2CCCC2)cc1 30182192 FQQWTZPGMOKWPE-UHFFFAOYSA-N 396.434 4.541 0 40 GJAB C[C@H](OCCCNC(=O)NCCCO[C@@H](C)c1ccccc1)c1ccccc1 32907655 ZNOXLOLWWIDKFK-PMACEKPBSA-N 384.520 4.621 0 40 GJAB CCc1ccc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 32930133 MAWIYPJCRMHYFH-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3C)n2)cc1 33012672 RCHLDRYTJWWGIX-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1-c1ccccc1 35563629 NJHWTICRMHEWFJ-UHFFFAOYSA-N 380.419 4.956 0 40 GJAB O=c1c2c3c(sc2ncn1[C@H]1CCc2ccccc2N=C1O)CCCCC3 36367329 HJIBLUCDQSQYMO-INIZCTEOSA-N 379.485 4.502 0 40 GJAB CCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)cc1 40942562 HRRKQTZXBRLPPD-UHFFFAOYSA-N 392.293 4.989 0 40 GJAB COc1ccc(NC(=O)CSCc2cccnc2)cc1Cc1ccccc1 41786992 HRCAAYCFOZMZQL-UHFFFAOYSA-N 378.497 4.553 0 40 GJAB O=C(Nc1ccc(F)cc1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 44837434 XTGJDCXAIJPRNW-UHFFFAOYSA-N 394.631 4.884 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872164 OLBNJFSRSRAHPA-IBGZPJMESA-N 394.559 4.664 0 40 GJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)c(F)c3)n2)cc1 57486836 NPHMPTIZHQHIGD-UHFFFAOYSA-N 390.418 4.600 0 40 GJAB O=C(COCc1ccccc1Cl)Nc1cccc(C(=O)c2ccccc2)c1 58175248 CHSFEAUNWOIEEB-UHFFFAOYSA-N 379.843 4.726 0 40 GJAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)c1ccccc1-c1ccccc1 64814964 GVMZVYABUDNXGU-UHFFFAOYSA-N 386.480 4.852 0 40 GJAB CCc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)c1 67294231 GQPDNLOLQGWNAI-LCUIJRPUSA-N 399.450 4.889 0 40 GJAB CC(C)c1cc(C(=O)Nc2ccc(Cn3ccccc3=O)cc2)c2ccccc2n1 69950998 RWHHKDPEPSHEKO-UHFFFAOYSA-N 397.478 4.821 0 40 GJAB COCCn1ccc2c(NC(=O)c3cc(C(C)C)nc4onc(C)c34)cccc21 71288107 JHLKZZXXEWAXTJ-UHFFFAOYSA-N 392.459 4.508 0 40 GJAB CCCc1cc(-c2nc(C)c(C(=O)Nc3nc4c(s3)CCC4)s2)ccn1 71288702 ZMVFWIGKNLWEPK-UHFFFAOYSA-N 384.530 4.664 0 40 GJAB Cc1cccnc1Nc1cncc([C@H]2CCCN2Cc2cn(C)c3ccccc23)n1 72376424 KONITTSYXROEDT-JOCHJYFZSA-N 398.514 4.752 0 40 GJAB O=C(O)c1ccc([C@H]2SCC(O)=Nc3ncn(-c4ccc(Cl)cc4)c32)cc1 95476154 XTLXQZXAKSKMGP-QGZVFWFLSA-N 399.859 4.648 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccccn2)C[C@@H](c2ccc(Cl)cc2)C1 102752922 CDAUPVNDJBUNPR-KZULUSFZSA-N 393.834 4.747 0 40 GJAB C[C@@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)[C@H]2CCCC[C@H]21 195529265 ZMHKAXHAYPOCNU-UXPWSPDFSA-N 396.556 4.719 0 40 GJAB Cc1cc2c(N)c(C(=O)Nc3ccccc3OC(F)(F)F)sc2nc1C 215758433 MXCSPYZSWHFOBL-UHFFFAOYSA-N 381.379 4.646 0 40 GJAB COC(=O)c1cn(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc12 222604960 RJNWDVMLBACYAI-HNNXBMFYSA-N 379.456 4.833 0 40 GJAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccccc2)cc1 223641090 HQOQKMROEWWQRF-UHFFFAOYSA-N 389.860 4.942 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 224661259 ONQACCVAEWBZTN-KRWDZBQOSA-N 395.499 4.928 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1Cl 224973875 ACVMQUCEBDYDRD-RTBURBONSA-N 398.919 4.557 0 40 GJAB CCCC[C@@H](CC)CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 225121369 VFDCCLGZNQEPBI-AFDUHFSSSA-N 382.504 4.692 0 40 GJAB CCOc1ccccc1CCCNC(=S)Nc1ccc(OC)c(Cl)c1 225396050 GXWLKAZAEVYLDX-UHFFFAOYSA-N 378.925 4.667 0 40 GJAB CCc1cc(Br)cc(C)c1NC(=O)c1c(C)nc2ccc(C)cn12 226096271 OSJLRUHPJOHUNS-UHFFFAOYSA-N 386.293 4.837 0 40 GJAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc3ccccc3c2)cc1 239402850 RFOSGQPYOSFPEK-UWXQAFAOSA-N 395.458 4.730 0 40 GJAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)Nc1ccc(Br)cc1 408528511 FFUICVTWCBOWOA-IZZDOVSWSA-N 380.245 4.558 0 40 GJAB CCN1C(=O)S/C(=C/c2ccc(OCC(C)C)c(Br)c2)C1=O 408601665 LHZJXJYYZTVLPE-RIYZIHGNSA-N 384.295 4.540 0 40 GJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)C1(C(F)(F)F)CCOCC1 622765727 LCTNBFQRERZEPL-UHFFFAOYSA-N 396.843 4.823 0 40 GJAB CCC(C)(C)[C@H]1CCc2nc(NC(=O)c3cc(-c4ccco4)[nH]n3)sc2C1 1627150703 NXYZABARFOOGGL-LBPRGKRZSA-N 384.505 4.920 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1C 686484 CMDKBTZQXYCDEB-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 2305785 XZIAISJAUYRZES-UHFFFAOYSA-N 387.936 4.766 0 40 GJAB COc1cc(OC)cc([C@@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)c1 3120635 PVHVXVBAVHTRQZ-ZEQRLZLVSA-N 390.435 4.606 0 40 GJAB c1ccc2[nH]c(SCc3ccc(-c4nnc5n4CCCCC5)cc3)nc2c1 3265025 KVEMGLUTZAQAFP-UHFFFAOYSA-N 375.501 4.840 0 40 GJAB COc1ccc(-c2csc3ncnc(Nc4ccc5c(c4)OCO5)c23)cc1 3533900 KPQSQTNCXPKOHC-UHFFFAOYSA-N 377.425 4.839 0 40 GJAB COC(=O)c1sc2ccccc2c1NC(=O)c1cccc(C(F)(F)F)c1 4134658 NDCCLYLNEOFULK-UHFFFAOYSA-N 379.359 4.959 0 40 GJAB COc1ccc(-c2nsc(SCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 4167525 KHAVIDLIBNUJJK-UHFFFAOYSA-N 399.541 4.870 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1 4668806 SDYCHGBTINTAHX-UHFFFAOYSA-N 389.274 4.783 0 40 GJAB CCCC(=O)n1nc(NCc2ccc(C)cc2)nc1NCc1ccc(C)cc1 4704920 XHQXUKHQCAKHEB-UHFFFAOYSA-N 377.492 4.559 0 40 GJAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)cc1 4854467 VHRNAKLJAFFDCM-HXUWFJFHSA-N 381.863 4.787 0 40 GJAB Cn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccc(F)cc1 4936705 HBWVURQWLCEJGY-UHFFFAOYSA-N 377.444 4.749 0 40 GJAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)N1CCCCCC1 5288120 HNGPXYLPOYPSHH-UHFFFAOYSA-N 383.542 4.853 0 40 GJAB Cc1ccccc1-c1noc(COc2cc3oc(=O)cc(C)c3cc2Cl)n1 5498083 CFKAAWDGRNZSQW-UHFFFAOYSA-N 382.803 4.692 0 40 GJAB CCCCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1OC 5946077 YQYRTKZZWSPRMY-UHFFFAOYSA-N 399.541 4.975 0 40 GJAB CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCCCCC2 6047372 PBMAQVIXDGVSPH-UHFFFAOYSA-N 387.501 4.601 0 40 GJAB Cc1ccccc1NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl 6056225 JXICRRZOJHJLCG-UHFFFAOYSA-N 396.270 4.643 0 40 GJAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C 6356440 VQQPPSJCZDFBFK-UHFFFAOYSA-N 392.484 4.522 0 40 GJAB CCCCOC(=O)c1cc(NC(=O)Cn2ccc3ccccc32)ccc1Cl 6417676 QHAYGXZGTMKROW-UHFFFAOYSA-N 384.863 4.890 0 40 GJAB Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c(C)c1 6647809 QDEJCNSIKUIQJH-UHFFFAOYSA-N 382.467 4.863 0 40 GJAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(OC[C@H]2CCCO2)cc1 6647888 FRVUTMKYKQBQTA-OAHLLOKOSA-N 386.498 4.682 0 40 GJAB C[C@H](Nc1ccccc1Oc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 6652038 QLPOOUFTUBJFCI-INIZCTEOSA-N 390.439 4.689 0 40 GJAB COc1ccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 7699996 JYKZHIXSJJAXQZ-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB CCc1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)sc1C 8412813 FBILBPNHKJDLKF-UHFFFAOYSA-N 385.316 4.636 0 40 GJAB Cc1cc(C)c2oc(C(=O)N(Cc3ccccc3)c3ccccn3)cc(=O)c2c1 8657016 XIEPHMPYYYCSBT-UHFFFAOYSA-N 384.435 4.652 0 40 GJAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(SC)cc4)cs3)ccc21 10555397 XNCHYHOGXJUNKI-UHFFFAOYSA-N 395.513 4.549 0 40 GJAB COc1cc(NC(=O)[C@H](C)Sc2ccc(Br)cc2)cc(OC)c1 11341103 HTOIRXAVMOHUCP-NSHDSACASA-N 396.306 4.586 0 40 GJAB CCOc1cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc(C)n1 11613278 YWJLFAHXJQMMDU-UHFFFAOYSA-N 381.411 4.710 0 40 GJAB Cc1ccccc1-n1nnnc1S[C@H](C)c1nc2ccccc2n1C(F)F 12525185 APWHHEAMUSCRJI-GFCCVEGCSA-N 386.431 4.569 0 40 GJAB COc1ccc(N(Cc2cccs2)C(=O)Cn2c(C)nc3ccccc32)cc1 12540735 XCTDIGKLASWMSN-UHFFFAOYSA-N 391.496 4.648 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3Br)o2)cs1 12619523 MJRWENYXOZYWTL-UHFFFAOYSA-N 395.253 4.543 0 40 GJAB CSc1nc(C)c(CCC(=O)N(C)Cc2cccc(Cl)c2Cl)c(C)n1 12856307 QGDKKOUIMDNQKE-UHFFFAOYSA-N 398.359 4.713 0 40 GJAB Cc1cc(Br)ccc1NC(=O)c1sc(-c2ccccn2)nc1C 12877100 DPKMTQMVIYINAJ-UHFFFAOYSA-N 388.290 4.837 0 40 GJAB CCc1ccccc1NC(=O)CN(C)C(=O)c1sc2ccccc2c1Cl 12971646 OSKPCZZNAALDHX-UHFFFAOYSA-N 386.904 4.828 0 40 GJAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1 15564698 WISVTTNTMGFFRP-UHFFFAOYSA-N 386.495 4.873 0 40 GJAB CCOc1cccc2cc(C(N)=O)/c(=N/c3ccc(-c4ccccc4)cc3)oc12 17130862 YQVZIWWCMIKZDC-LCUIJRPUSA-N 384.435 4.830 0 40 GJAB Cc1cc(C)c(C(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(C)c1 18023966 GDBSFXSDQOCJDK-UHFFFAOYSA-N 398.553 4.764 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cnc2ccccc2n1 18120651 GXYYWRVCEIDOFK-UHFFFAOYSA-N 386.377 4.501 0 40 GJAB C[C@H](CN1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 19456061 XWNVRXYYQYFAPA-AUSIDOKSSA-N 393.575 4.801 0 40 GJAB COc1cccc2cc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)oc12 19568505 XHTSGXXLFRNENI-UHFFFAOYSA-N 393.418 4.870 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20145181 OGDUTDJJFFKAQH-NYYWCZLTSA-N 383.831 4.753 0 40 GJAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1Sc1ccccc1 20447708 KSFQERURDNAFMU-UHFFFAOYSA-N 377.465 4.790 0 40 GJAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc3ccccc13)SCC(O)=N2 20732325 QPTFGAHTOOLGPI-IBGZPJMESA-N 387.468 4.548 0 40 GJAB Cc1cccnc1-n1c(C)c(C)c2c1ncn1nc(-c3ccc(Cl)cc3)nc21 21801575 QIRUKSAFQNFMBW-UHFFFAOYSA-N 388.862 4.709 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(C)s3)c3c(C)noc3n2)cc1 23077886 IKEFPIAZGIWNPU-UHFFFAOYSA-N 378.457 4.832 0 40 GJAB CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 24090994 BZXSHHKVERCCSL-UHFFFAOYSA-N 397.427 4.552 0 40 GJAB S=c1n(CN2CCC[C@H]2c2ccccc2)nc(N2CCCCC2)n1C1CC1 24992162 ICPAZLWWJODMNH-IBGZPJMESA-N 383.565 4.534 0 40 GJAB CC1(C)C[C@@H]([C@@H](CCNCc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 26532600 PWNDMUMGAWMMEF-VXKWHMMOSA-N 395.543 4.959 0 40 GJAB CC(=O)c1ccc(OCc2ccc(C(=O)N3c4ccccc4C[C@H]3C)o2)cc1 27976619 YKUDXETZWHODNV-OAHLLOKOSA-N 375.424 4.653 0 40 GJAB Cc1cccc(NC(=O)Nc2c(C)nn(COc3ccc(F)cc3F)c2C)c1 28305354 WDIDQGYVWARZBX-UHFFFAOYSA-N 386.402 4.767 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)Cc1nc2ccccc2[nH]1 29331600 AKTRMMYRKJQCFO-UHFFFAOYSA-N 396.903 4.920 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cn1cccn1 32832840 KOHJIKXLVPNPSA-CYBMUJFWSA-N 390.270 4.644 0 40 GJAB O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1Cc3ccccc3[C@H]21 33780279 LPPJOZNFNZVIEJ-NJDAHSKKSA-N 386.407 4.764 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1OC(F)F 36397674 SGVYHHXXZUJFAF-UHFFFAOYSA-N 394.761 4.857 0 40 GJAB CCOc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 36446693 VBLMFZYYBZPMMS-NRFANRHFSA-N 398.553 4.795 0 40 GJAB O=C(CNc1ccc(OC(F)F)c(Cl)c1)N[C@H]1CCCc2ccccc21 39606331 NRQNRMKCXMHVDU-INIZCTEOSA-N 380.822 4.547 0 40 GJAB COc1ccc(C2=CCN(C(=O)c3cc(F)ccc3Br)CC2)cc1 40119713 COLXMILBHGIOPE-UHFFFAOYSA-N 390.252 4.526 0 40 GJAB CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1ccccc1 40142947 AUVYQKRZOYHCCB-UHFFFAOYSA-N 399.244 4.571 0 40 GJAB O=C(Nc1nccs1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44921245 TWPPARKSXQMSLM-SFHVURJKSA-N 395.528 4.577 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1 45351346 CGFRDTYUPHOYAY-IVZQSRNASA-N 391.423 4.655 0 40 GJAB CN(Cc1ccc(Br)s1)C(=O)Cc1ccc(-n2cccc2)cc1 46318770 FCZMDAATRKPHDY-UHFFFAOYSA-N 389.318 4.502 0 40 GJAB CCc1sc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1C 60065047 XWQJGHVXHZPFHU-HNNXBMFYSA-N 394.334 4.595 0 40 GJAB O=C(c1cnc2ccccc2c1Nc1ccc(Cl)cc1)N1CCSCC1 64471732 SBPPKUSJWMQSML-UHFFFAOYSA-N 383.904 4.821 0 40 GJAB O=C(CCSc1ccccc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200214 MFCDGWBJAHJWJY-MOPGFXCFSA-N 398.528 4.845 0 40 GJAB Cc1cc(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)ccc1N(C)C 84090330 JMCLJEXZPRCANK-QGZVFWFLSA-N 389.499 4.858 0 40 GJAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nnc(-c2cccc(Cl)c2)o1 85347769 FQQVVFBRBXJEIS-HUUCEWRRSA-N 377.872 4.941 0 40 GJAB CN(CCOCc1ccccc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 95965037 NNBFVWGREBQKPQ-UHFFFAOYSA-N 397.478 4.586 0 40 GJAB O=C(C[C@@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21)NC1CCC1 96052741 CFRZHKQZWVJJEX-GOSISDBHSA-N 394.584 4.828 0 40 GJAB COc1ccc(C(=O)O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 96714522 MZBJHOYNGCHUNH-UHFFFAOYSA-N 389.407 4.754 0 40 GJAB CN(C)c1ccc(-c2cc(-c3ccccc3)nn2[C@H]2C(=O)Nc3ccccc32)cc1 103022197 INGRWHMEMCZHCO-XMMPIXPASA-N 394.478 4.825 0 40 GJAB O=C1/C(=C/c2ccccc2OCc2ccccc2)NC(=S)N1C1CCCCC1 210218003 DZDFEQVRXIVSJI-HKWRFOASSA-N 392.524 4.656 0 40 GJAB CCCOc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1 218980891 DFSAITLQHQXLET-UHFFFAOYSA-N 381.900 4.931 0 40 GJAB CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 219426717 VEDHMPGHEHBOQF-UHFFFAOYSA-N 396.550 4.910 0 40 GJAB CC(C)c1ccccc1OCC(=O)NCCSCc1cccc(Cl)c1 222805072 PUDIRFAGTDHOJO-UHFFFAOYSA-N 377.937 4.892 0 40 GJAB COc1ccc(CCC(=O)NCCSCc2cccc(Cl)c2)cc1C 222909298 NQSYFCMJXZBQQT-UHFFFAOYSA-N 377.937 4.639 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(C)cc1C 222969465 QLLZNBNLFWGTAW-OAQYLSRUSA-N 383.532 4.999 0 40 GJAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1cccc(Cl)c1 224486606 QQUYGXNEIURJQH-UHFFFAOYSA-N 385.847 4.841 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)NCC1(c2ccccc2)CCOCC1 225365388 GETYPAQRWHUPOI-UHFFFAOYSA-N 392.326 4.791 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 225549239 QQNRGNYQTRHLHU-OFNKIYASSA-N 394.559 4.568 0 40 GJAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccccc1 225583358 LWNVUSUHUCIHML-OAQYLSRUSA-N 388.914 4.959 0 40 GJAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cc2ccccc2oc1=O 225625756 AZPUFKGDLSPFHO-UHFFFAOYSA-N 397.390 4.557 0 40 GJAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1cccc(C)c1C 408624018 AMSWRLKZSDRUNT-UHFFFAOYSA-N 387.439 4.833 0 40 GJAB Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1C 408670557 SPEJYWYLDNPXLM-ZDUSSCGKSA-N 378.255 4.569 0 40 GJAB Cc1cc2c(cc1C)CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2 409200336 RKWCMHLBICIKCO-UHFFFAOYSA-N 382.813 4.930 0 40 GJAB C[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](c4cc(C(F)(F)F)n[nH]4)C3)cc2C1 461956497 HXIQKQZLJJRVQJ-VXGBXAGGSA-N 397.466 4.635 0 40 GJAB O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCc2cc(Br)ccc21 502965526 CVMYUXWUQBEGFV-KRWDZBQOSA-N 386.289 4.546 0 40 GJAB O=C(NCc1cccc2ccccc12)NC[C@H](O)c1ccc(-c2ccco2)cc1 585148105 JMYKQXWMMFDVGS-QFIPXVFZSA-N 386.451 4.633 0 40 GJAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775977240 HHWXWFCZUIVRHH-GOSISDBHSA-N 389.879 4.600 0 40 GJAB Cc1cc(C)c(S(=O)(=O)NCCc2c(C)[nH]c3c(Cl)cccc23)c(C)c1 644600 BFVBEBAGNIGSNZ-UHFFFAOYSA-N 390.936 4.576 0 40 GJAB Cc1cc(C)c2cc(C)c3nnc(SCC(=O)N4[C@H](C)CCC[C@H]4C)n3c2c1 877199 FPPRQNAKDKIVER-IAGOWNOFSA-N 396.560 4.689 0 40 GJAB COc1ccc(C)cc1NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 1340329 RYEOWSQAWFQXDY-UHFFFAOYSA-N 387.530 4.664 0 40 GJAB Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(C(C)(C)C)cc1C 1361052 BNBJBKJMJONHSB-UHFFFAOYSA-N 396.531 4.900 0 40 GJAB O=C1O[C@H](Nc2nc(-c3ccc(Br)cc3)cs2)c2ccccc21 2200203 FDLXZIFBYKTEOJ-HNNXBMFYSA-N 387.258 4.854 0 40 GJAB COc1cccc(OP(=O)(Nc2ccccn2)Oc2cccc(OC)c2)c1 2303174 FSXQWIHNCGZWRF-UHFFFAOYSA-N 386.344 4.777 0 40 GJAB CCN(CC)CCn1c(-c2ccc(C)cc2)nc(=S)c2c1CC(C)(C)OC2 2408128 BOEFQIDOUBHAGI-UHFFFAOYSA-N 385.577 4.781 0 40 GJAB Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)C[C@H](c1cccs1)C2 2469589 VLUIOMLCWRDHCP-OAHLLOKOSA-N 395.480 4.533 0 40 GJAB Cc1ccc(C)c(CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)c1 2719710 VOTMGOBRQCMPIS-UHFFFAOYSA-N 380.538 4.790 0 40 GJAB CCc1cccc2c(C(=O)[C@@H](Sc3nnc(N)s3)c3ccccc3)c[nH]c12 3352827 IJIHCQVCCUMBGJ-SFHVURJKSA-N 394.525 4.880 0 40 GJAB COc1cc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc(OC)c1OC 4330950 GDAMVYJSRLFQFQ-UHFFFAOYSA-N 392.864 4.536 0 40 GJAB O=c1c2c(nc(SCc3cccc(F)c3)n1CCc1ccccc1)CCS2 4358789 SYMLFQMDBBWVSN-UHFFFAOYSA-N 398.528 4.566 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3ccc(OC(C)C)cc3)cs2)cc1OC 4369133 OJHVNIDTGSGHME-UHFFFAOYSA-N 398.484 4.867 0 40 GJAB CCOc1ccc(CNc2ccc3c(c2)nc(CN2CCCCC2)n3C)cc1 4624613 QCSRQWBZIPGMFS-UHFFFAOYSA-N 378.520 4.570 0 40 GJAB CCc1ccc2nc(N(CCN(C)C)C(=O)CSc3ccccc3)sc2c1 5239571 BHYUTUWKMRKFCG-UHFFFAOYSA-N 399.585 4.546 0 40 GJAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(C)cc3)sc2c1 5265100 NOUUKXBHBGDSQH-UHFFFAOYSA-N 389.480 4.855 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(NCc2ccccc2)s1 6507884 HXMVXPGSANCYSY-UHFFFAOYSA-N 394.525 4.915 0 40 GJAB Nc1c(Cl)cc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl 6596997 KHOMUAAHXRXQGT-UHFFFAOYSA-N 398.359 4.605 0 40 GJAB Cn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1C(F)(F)F 6939275 ROFKIBZYEHKYKN-OAHLLOKOSA-N 377.391 4.550 0 40 GJAB COc1ccc(CN(C)C(=O)COc2ccc(Nc3ccccc3)cc2)cc1F 7735456 IONXEKHUFGKCJE-UHFFFAOYSA-N 394.446 4.615 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3cccc(Br)c3)s2)cs1 7820552 ZBWDOQBMCYFTMQ-UHFFFAOYSA-N 393.331 4.873 0 40 GJAB Clc1ccc(-c2nnc(SCc3cscn3)n2Cc2ccco2)cc1 8157258 VBGOSOIREXUZIR-UHFFFAOYSA-N 388.905 4.989 0 40 GJAB O=C(Nc1cccc2ncccc12)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 8428245 PFSQOLVXVHZSGY-QHCPKHFHSA-N 394.430 4.941 0 40 GJAB C[C@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NCc1ccccc1 8705608 YBSFVVVCWVAKNU-CVDCTZTESA-N 397.522 4.594 0 40 GJAB COc1ccc(CN(C)C(=O)c2cccc(OCc3ccccc3)c2)cc1F 8756303 NQKYUHUSPJEBEB-UHFFFAOYSA-N 379.431 4.686 0 40 GJAB COc1cccc(CNC(=O)Cc2csc(SCc3ccc(C)cc3)n2)c1 8936752 QFNUHUWEWOERIB-UHFFFAOYSA-N 398.553 4.611 0 40 GJAB CCCCC1CCC(C(=O)Nc2c(C)nc3ccc(Cl)cn3c2=O)CC1 9617034 JZGPMIDHZHHDHP-UHFFFAOYSA-N 375.900 4.591 0 40 GJAB Cc1ccc(CCCNC(=O)CSCc2ccc(Br)cc2)cc1 10110409 WIICUDZBHUPQJR-UHFFFAOYSA-N 392.362 4.740 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 10445962 PZXMZIVKZTURMN-OAHLLOKOSA-N 389.879 4.848 0 40 GJAB Cc1ccc(CSc2nnc(NC(=O)Cc3c[nH]c4ccccc34)s2)cc1 12497710 WZBRCZALVZDMTR-UHFFFAOYSA-N 394.525 4.801 0 40 GJAB CN(C)c1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 12563263 INMOWYAQZVCINS-UHFFFAOYSA-N 377.469 4.552 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)c3cc(Br)ccc3F)o2)cs1 12897039 PCWZAFOIZBODFW-UHFFFAOYSA-N 395.253 4.543 0 40 GJAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(-c3ccccc3F)o2)cc1F 12899825 ADQKLJGLZNIMJX-FMIVXFBMSA-N 383.394 4.905 0 40 GJAB Cc1csc(N(C(=O)c2cnc3c(cnn3C(C)C)c2)c2ccccc2)n1 13001651 WRMYOFMNLHHBKN-UHFFFAOYSA-N 377.473 4.756 0 40 GJAB CN(CC(=O)NCc1ccccc1Cl)C(c1ccccc1)c1ccccc1 13074253 IBPTUGWZLTZRBV-UHFFFAOYSA-N 378.903 4.678 0 40 GJAB Cc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1C 13426963 YRRMDNLYRXQUNA-ATJXCDBQSA-N 391.452 4.696 0 40 GJAB O=C(Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1)c1ccccc1 14138000 MPRHYHSJKGZUMT-UHFFFAOYSA-N 393.283 4.821 0 40 GJAB Cc1ccc(CN(C)C(=O)c2nccnc2-c2nc3ccccc3s2)c(C)c1 15583768 SIGJVCOTTHUBLS-UHFFFAOYSA-N 388.496 4.642 0 40 GJAB CCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(CC)cc2)c2cccnc12 15841025 WSPGLHLIAZCVFL-MRXNPFEDSA-N 378.472 4.992 0 40 GJAB COc1ccc(-c2ccc(CCC(=O)Nc3cc(OC)cc(OC)c3)o2)cc1 16705960 PQQAHNQGJMHMCC-UHFFFAOYSA-N 381.428 4.544 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 17574616 OWVOAZBTCLPMHX-UHFFFAOYSA-N 383.502 4.758 0 40 GJAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)CC2CCCC2)n1 19525622 TVFIPINELZJFQL-IBGZPJMESA-N 396.535 4.945 0 40 GJAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H](C)c1ccc(SC)cc1 20030041 WBMNGFMLBHJVIJ-CQSZACIVSA-N 379.547 4.580 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20143975 JWWGDLUPSFDCTK-UHFFFAOYSA-N 379.456 4.754 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1csc(-c3ccsc3)n1)O[C@@H](C)C2 21837630 YRBJNJHHXMPTFX-NSHDSACASA-N 386.498 4.846 0 40 GJAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1SCc1cccs1 21873059 ISEQKPGLUOVKHS-HNNXBMFYSA-N 397.521 4.610 0 40 GJAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1(C)C 22006678 YWANYZNFTRQIOX-ROUUACIJSA-N 380.454 4.592 0 40 GJAB COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1OCc1cscn1 23081352 NGYRUZGGOBHPOY-LJQANCHMSA-N 394.496 4.538 0 40 GJAB Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCC(C)CC3)c(O)n2n1 23157154 QDDLQMDCVDVUAJ-GOSISDBHSA-N 384.549 4.750 0 40 GJAB CCOc1ccccc1-c1noc(Cn2c(C(F)(F)F)nc3ccccc32)n1 29301942 GNTIBCHXIDOFJO-UHFFFAOYSA-N 388.349 4.552 0 40 GJAB O=C(COc1ccccc1)Nc1cc(-c2nc3cnccc3o2)ccc1Cl 32091740 BNKFDTSNLTYYRF-UHFFFAOYSA-N 379.803 4.561 0 40 GJAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 32721702 AMIOQGOUJFXVJS-UHFFFAOYSA-N 395.871 4.772 0 40 GJAB COc1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 35040490 UDOMILZGRVWLSW-SFQUDFHCSA-N 389.929 4.793 0 40 GJAB CCOc1ccc2c(c1)c(C(=O)N1CCC[C@@H]1c1cccc(OC)c1)c(C)n2C 35316968 KYRGDSRYVXXTTH-OAQYLSRUSA-N 392.499 4.871 0 40 GJAB COc1ccc(NC(=O)NC2(c3ccc(Br)cc3)CCC2)cc1 40152986 BTVQEDQIBUMGSM-UHFFFAOYSA-N 375.266 4.659 0 40 GJAB CN(C)C(=S)c1ccc(-c2ccc(Br)cc2Br)o1 40542493 NESCROHCUHRKOY-UHFFFAOYSA-N 389.112 4.709 0 40 GJAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(OC(C)C)cc4)no3)CC2=O)cc1C 44435134 CHFYJKIETMKZQJ-SFHVURJKSA-N 391.471 4.661 0 40 GJAB O=C(Nc1cc(F)ccc1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 44837439 KJGWVFVGVCQJOP-UHFFFAOYSA-N 394.631 4.884 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C)cc3nc(NN)sc3c2C)c1 45890206 NADXCTFOUHACEQ-UHFFFAOYSA-N 398.532 4.648 0 40 GJAB CN(Cc1ccsc1)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 47585030 SMBSIGPBSUXWLX-UHFFFAOYSA-N 396.468 4.720 0 40 GJAB C[C@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCC1 56176589 PQKMINNRMJLWFT-LBPRGKRZSA-N 380.275 4.604 0 40 GJAB C[C@H](Sc1nncn1[C@@H](C)c1ccccc1)C(=O)Nc1ccccc1Cl 58018152 YSBQPPUODALHSO-KBPBESRZSA-N 386.908 4.660 0 40 GJAB C[C@@]1(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC1(Cl)Cl 58419235 BGTBTXCPBMYJKP-KRWDZBQOSA-N 384.307 4.617 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(Cl)ccc2nsnc12 59294522 AVXCBFNHTOCWGM-UHFFFAOYSA-N 388.663 4.912 0 40 GJAB CN(C)CC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 72259318 LEHPMDSRZDWLNR-QHCPKHFHSA-N 390.502 4.767 0 40 GJAB CC(C)[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(C2CCCCC2)cc1 78990850 RVMSPDOHVFEOCG-DNQXCXABSA-N 398.591 4.801 0 40 GJAB C[C@@H](OC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1cnc2ccccc2c1 95942859 NIUJOEQSGWSYCJ-KUHUBIRLSA-N 384.476 4.532 0 40 GJAB CC(C)c1ccc([C@H]2c3c(n[nH]c3-c3ccco3)C(=O)N2c2nccs2)cc1 96336429 UBHQSICOLIPCFR-IBGZPJMESA-N 390.468 4.999 0 40 GJAB CCN(Cc1csc(CC(=O)Nc2ccccc2C)n1)c1ccc(F)cc1 96981903 NHKYWNYDOUJERY-UHFFFAOYSA-N 383.492 4.798 0 40 GJAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1cccc(OCc2ccc(F)cc2)c1 205708613 DMABDNROCQXBEG-CIAFOILYSA-N 391.373 4.888 0 40 GJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cc(Cl)c(O)c(Cl)c2)S1 222583559 IIDLYSWGSXLJGU-NKZPBKNFSA-N 380.300 4.683 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 222888580 SDERMQBAFLGRKX-KRWDZBQOSA-N 377.868 4.716 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)N(CC)Cc2nc(-c3cccs3)no2)cc1 222903035 RGDNTOPSLBUEGK-KRWDZBQOSA-N 399.516 4.567 0 40 GJAB COc1ccc(OCc2cc(C(=O)Nc3ccc(F)cc3F)ccc2OC)cc1 224265995 YKISNMKLJDTNGP-UHFFFAOYSA-N 399.393 4.813 0 40 GJAB CCCOCc1cc(C(=O)Nc2cccc(Br)c2)ccc1OC 224413166 JYUSHULPERIIGH-UHFFFAOYSA-N 378.266 4.637 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COCC(C)C 224738912 SHHXWLUVBYGGPY-UHFFFAOYSA-N 387.476 4.527 0 40 GJAB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2)CCCC1 225503381 JCRMXFDJAYFVPO-UHFFFAOYSA-N 378.516 4.612 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCC2)ccc1OCC(C)C 225829824 OYRABVFTYOZYLA-UHFFFAOYSA-N 391.508 4.576 0 40 GJAB CC[C@H](Nc1ncncc1-c1nc(-c2ccccc2F)no1)c1cccs1 252482454 DFXAKWUJYWOPIU-HNNXBMFYSA-N 381.436 4.957 0 40 GJAB Cc1ccc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)nc1 257228956 FVZRLSWXFSZKRX-KRWDZBQOSA-N 376.456 4.728 0 40 GJAB CCCCOc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1 408609954 PPNZUAQCNWNICT-UHFFFAOYSA-N 392.543 4.528 0 40 GJAB Cc1ccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1C 408627929 OLXOCQUCFRKRRY-UHFFFAOYSA-N 386.451 4.807 0 40 GJAB Cc1ccc(-n2ncc3c(N)c4c(nc32)C[C@H](c2ccccc2C)CC4=O)cc1C 618255911 BTMLESCKTWBFQM-KRWDZBQOSA-N 396.494 4.841 0 40 GJAB O=C(Oc1ccc(N2CCCCC2)c(Cl)c1)[C@H]1CCN(c2ccccc2)C1 1129826803 NWGSLOHEXLJXAT-KRWDZBQOSA-N 384.907 4.762 0 40 GJAB COc1ccc(C)cc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615122303 CFXAZHKXHXKKLG-XMMPIXPASA-N 396.506 4.806 0 40 GJAB CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3Sc3ccccc32)cc1 855414 ABJQJELEIHRWQH-UHFFFAOYSA-N 396.493 4.637 0 40 GJAB COc1cc(OC)cc(-c2nnc(SCc3c(F)cccc3Cl)o2)c1 929499 OFMOFULREKAFDM-UHFFFAOYSA-N 380.828 4.839 0 40 GJAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1 1329687 GTKKOUZNDPHEQL-GJZGRUSLSA-N 380.517 4.507 0 40 GJAB COc1ccc(OC)c(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1 1333022 VPXGYMDKNCVWCX-UHFFFAOYSA-N 388.514 4.609 0 40 GJAB CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O 2052938 FSQCVTWSYUBLML-UHFFFAOYSA-N 392.238 4.751 0 40 GJAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1ccccc1 2265295 OAOOTXUCBIRTTA-UHFFFAOYSA-N 386.455 4.645 0 40 GJAB O=C(CSc1nc2ccccc2s1)N1CCC(Cc2ccccc2)CC1 3232990 IMTCJYBJWVBHDX-UHFFFAOYSA-N 382.554 4.870 0 40 GJAB OCCNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3336532 JZIWYCMWOATFKM-UHFFFAOYSA-N 391.949 4.530 0 40 GJAB O=C(COC(=O)c1ccccc1Oc1ccccc1)NCCC1=CCCCC1 3380011 SBDZLYAVQAVGFJ-UHFFFAOYSA-N 379.456 4.642 0 40 GJAB O=C(Oc1ccc2c(c1)OCO2)c1oc2ccccc2c1COc1ccccc1 3552237 SPWKSSMMFOMBDY-UHFFFAOYSA-N 388.375 4.960 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)ns1 4167244 XWJSJNKUYMGLLU-UHFFFAOYSA-N 391.905 4.598 0 40 GJAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccc2)cc1 4281963 KMZABDNLIVBLEJ-ZJSXRUAMSA-N 386.451 4.946 0 40 GJAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)c1ccc(F)cc1 4547752 NOKFJPGGYMVPGY-UHFFFAOYSA-N 377.415 4.683 0 40 GJAB COc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccnc3)C[C@H]21 4715745 BOXBACPWKUTOAG-DENIHFKCSA-N 391.858 4.986 0 40 GJAB COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCCCC2)c1 4715932 YHNXHSJNSRICNX-HXUWFJFHSA-N 378.472 4.908 0 40 GJAB COc1cccc(-n2c(/C=C/c3ccccc3N(C)C)nc3ccccc3c2=O)c1 4733179 QGKFKPVTDFPCSY-FOCLMDBBSA-N 397.478 4.631 0 40 GJAB CCOc1ccc(NC(=S)N2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 4858946 XBGHWPOFZRWWSF-MRXNPFEDSA-N 394.544 4.846 0 40 GJAB CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)[C@H]1[C@@H](C)[C@@H](C)CC[C@H]1C 5047938 KGSXORVANNQUIT-QNTNZKOWSA-N 381.601 4.501 0 40 GJAB O=C(O)[C@H]1[C@H]2c3ccc4ccccc4c3[C@H](c3ccc4ccccc4c32)[C@H]1C(=O)O 6118291 LBRBVSQTXLMADP-NEWJYFPISA-N 394.426 4.985 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(C)s3)ccc21 6534267 UQYFMUOQAQFJMV-UHFFFAOYSA-N 382.514 4.705 0 40 GJAB Cc1cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c(C)n1C1CC1 6625919 WMHOSFTXRDGTIN-UHFFFAOYSA-N 392.528 4.873 0 40 GJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OCC)c1 6753004 BNKWIMGZXDIURA-QFIPXVFZSA-N 391.471 4.526 0 40 GJAB Cc1ccccc1Nc1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)s1 6975173 LURRXZKJOZTDRW-KRWDZBQOSA-N 396.541 4.702 0 40 GJAB CCN(C(=O)CSc1nc(C)nc2sc(C)c(C)c12)c1ccc(F)cc1 7016109 CSSIPTQWUFCDLE-UHFFFAOYSA-N 389.521 4.901 0 40 GJAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccccc2[C@@H](C)CC)CC1=O 7929376 PBAZRWWHPMDUKN-IRXDYDNUSA-N 381.472 4.557 0 40 GJAB O=C(NCCSCc1ccc(Br)s1)Nc1ccc(F)cc1 8039625 NUODSNGNXCPJBO-UHFFFAOYSA-N 389.315 4.705 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(N3CCCC3=O)c2)cc1 8074059 KRUXQQHUBVJTQV-QFIPXVFZSA-N 392.499 4.580 0 40 GJAB CCCCn1nc(C)c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1Cl 8314008 OQGDPGICMMDRSM-UHFFFAOYSA-N 389.883 4.939 0 40 GJAB Cc1csc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)n1 8329065 LOEBTQOFVDUUAZ-UHFFFAOYSA-N 380.498 4.677 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)/C=C/c2cccc(OC)c2OC)cc1 8394317 JEAHAWVXMIJMSZ-WMJZSHNHSA-N 395.499 4.870 0 40 GJAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 8868772 MTYHYYJVJWCWMW-OAQYLSRUSA-N 391.467 4.927 0 40 GJAB Cc1ccc(CN2CCC(C(=O)NCCSCc3ccccc3C)CC2)cc1 9063133 OXJOINDXEOEEPP-UHFFFAOYSA-N 396.600 4.565 0 40 GJAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1ccc2c(c1)OCCCO2 9746001 UXSQADZIRITACI-UHFFFAOYSA-N 397.452 4.528 0 40 GJAB Cc1nc(COc2cccc(/C=C/C(=O)Nc3ccc(F)cc3F)c2)cs1 11373080 ODZNPFMRZHOPOL-VMPITWQZSA-N 386.423 4.961 0 40 GJAB Cc1cccc(-c2noc(C)c2C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1 12193041 MRZQBFWHQZKCKR-UHFFFAOYSA-N 390.418 4.595 0 40 GJAB CCCn1c2ccccc2c2nnc(S[C@H](C)c3nc(C(C)(C)C)no3)nc21 12540491 WKVFLIBYBDYWLN-GFCCVEGCSA-N 396.520 4.923 0 40 GJAB COc1ccc(CN(C)C(=O)COc2ccccc2-c2ccccc2)cc1F 12918054 OOBINAXHLZCPCK-UHFFFAOYSA-N 379.431 4.539 0 40 GJAB O=Cc1c(OCc2ccc(I)cc2)ccc2ccccc12 15423256 BWOWZFHGTICNIM-UHFFFAOYSA-N 388.204 4.836 0 40 GJAB O=C(N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1)c1ccco1 15778670 QDJCUPJAAPLKGW-KRWDZBQOSA-N 379.803 4.502 0 40 GJAB COc1ccc(CCNCc2ccc(OCc3ccccc3C)c(OC)c2)cc1 16362784 URVVUNMUEZLRLF-UHFFFAOYSA-N 391.511 4.924 0 40 GJAB CN(CCc1ccccc1)Cc1nc(-c2cccnc2OC2CCCCC2)no1 19586219 UTSRAIYTNCWRIE-UHFFFAOYSA-N 392.503 4.518 0 40 GJAB Cc1cccc(Cc2ccc([C@H]3CCCN(C(=O)c4oc(C)nc4C)C3)nc2)c1 19690323 URQDKXPXBCUVTB-NRFANRHFSA-N 389.499 4.605 0 40 GJAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)c1 20142219 RKNPWAQBNAWTRV-HNNXBMFYSA-N 395.455 4.877 0 40 GJAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccccc1)c1ccccn1 20735310 MCNFTJLPARZSQY-UHFFFAOYSA-N 388.492 4.747 0 40 GJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc(-c2ccccc2)on1 21805495 YJYQJOCNLJNIIP-HXUWFJFHSA-N 395.890 4.562 0 40 GJAB Cc1ccc(-c2nsc(NC(=O)c3cc(=O)c4cc(C)c(C)cc4o3)n2)s1 21806084 LITRRTMQPCPWLZ-UHFFFAOYSA-N 397.481 4.551 0 40 GJAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2nc(-c3ccccc3)no2)o1 23186811 SCDKSXKKGQUHBJ-GFCCVEGCSA-N 398.419 4.691 0 40 GJAB Cc1ccc(C)c(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2C)c1 28183517 WWLXODITDVDEAO-UHFFFAOYSA-N 376.909 4.576 0 40 GJAB O=C(NC1CC1)[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 28368072 KYGRTRJHRXYDMH-OAQYLSRUSA-N 378.472 4.550 0 40 GJAB CC(C)[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(F)cc1 32744978 CWVIKDSIJGEROH-NRFANRHFSA-N 397.494 4.583 0 40 GJAB COC(=O)c1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1 33583051 YMZRXIBHJHGDJI-CPZHOGDASA-N 387.435 4.843 0 40 GJAB O=C(Nc1ccccc1O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 36626758 CKQKRQMURUOUBZ-UHFFFAOYSA-N 375.453 4.813 0 40 GJAB COc1ccc(-c2nc(CC(=O)OC/C=C/c3ccccc3)cs2)cc1OC 39576441 FQQQPAVYJCNOOO-RMKNXTFCSA-N 395.480 4.626 0 40 GJAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2[nH]ncc2c1 40039652 YUJLASQMNLXOJK-UHFFFAOYSA-N 393.450 4.976 0 40 GJAB CCOc1ccc(CN(C)C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1 40104901 WQTVJRLZADYVJY-UHFFFAOYSA-N 378.476 4.552 0 40 GJAB O=C(Nc1ccccc1SC1CCCC1)N1CCN(c2ccccc2O)CC1 40104995 XXFQSOKGASAAGL-UHFFFAOYSA-N 397.544 4.781 0 40 GJAB CC(C)c1ccc(OCC(=O)N(C)Cc2ccccc2)c(Br)c1 40942913 WHKQZSXBNCFANS-UHFFFAOYSA-N 376.294 4.610 0 40 GJAB COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H]4C[C@H]4c4ccc(F)cc4)CC3)c2c1 42970377 HALRKFBNPAZKHN-FPOVZHCZSA-N 390.458 4.735 0 40 GJAB CCSc1ccccc1C(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 44204244 OBCYYLLURXJNMF-CQSZACIVSA-N 399.541 4.930 0 40 GJAB Cc1c(C(=O)N(C)c2ccc(Br)cc2Cl)oc2c1C(=O)CCC2 58159867 JEJGJSKGKVBVOX-UHFFFAOYSA-N 396.668 4.800 0 40 GJAB O=C(c1cc(=O)c2ccccc2o1)N1CCc2sccc2[C@@H]1c1cccs1 70696392 BZWNGLCMZUHHPS-HXUWFJFHSA-N 393.489 4.704 0 40 GJAB CCn1ccnc1CN(Cc1cccs1)c1ccc(Br)cc1 72277667 OYQLELJJOUYCDT-UHFFFAOYSA-N 376.323 4.934 0 40 GJAB Cc1cccn2cc(COc3ccccc3C(=O)N3CC4(CCCCC4)C3)nc12 96003914 MMVUDJGMVSRZAA-UHFFFAOYSA-N 389.499 4.628 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 96627722 CTXWOLKSSSAIKI-HXUWFJFHSA-N 395.522 4.667 0 40 GJAB O=C(Cn1cccc1-c1nc(-c2ccccc2)no1)Nc1ccc(F)c(Cl)c1 98211340 GBTDPTUOQHSUDU-UHFFFAOYSA-N 396.809 4.636 0 40 GJAB COc1cccc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1 102751068 XSMSXGUNDRTNOU-KPZWWZAWSA-N 394.456 4.769 0 40 GJAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 222775968 TVPVEJLOYLDSPB-MOPGFXCFSA-N 382.920 4.518 0 40 GJAB COc1ccc(-c2nnc(NC(=O)CCc3cccc4ccccc34)s2)cc1 223204761 MOGGTZIZZZCGER-UHFFFAOYSA-N 389.480 4.938 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)c1 223338707 CRVJJYFVYYYUFR-NRFANRHFSA-N 381.472 4.538 0 40 GJAB Cc1cc(NC(=S)N[C@H](C)COc2ccccc2C)ccc1Br 225635345 VFFZKJMZLDOASN-CQSZACIVSA-N 393.350 4.820 0 40 GJAB O=C1CC2(CCN(Cc3ccccc3F)CC2)Oc2cc(C(F)(F)F)ccc21 225822166 GRBUNOVNBCJXCL-UHFFFAOYSA-N 393.380 4.845 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)c1 226312068 XTWXHLHARZFDGI-UHFFFAOYSA-N 389.908 4.981 0 40 GJAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4F)OCC[C@@]31C2 257241134 HWSBYIKAMOWIGM-NROQGZOISA-N 377.475 4.619 0 40 GJAB O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1 408623758 RWGHMXVRGDPAMZ-UHFFFAOYSA-N 380.444 4.532 0 40 GJAB CCCCCN1C(=O)S/C(=C\c2ccc(OC)c(Br)c2)C1=O 409217012 NFHQCUPZSPMETR-UVTDQMKNSA-N 384.295 4.684 0 40 GJAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1Cl 409237729 LFOZGUIVTKQAQF-JASJWYONSA-N 383.897 4.590 0 40 GJAB C[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc12)[C@H]1COc2ccccc21 535103364 CJVUOTRLUNZEKQ-ORAYPTAESA-N 376.431 4.546 0 40 GJAB CCn1c(CN2CCC(c3ccc(Cl)cc3)CC2)nc2cc(C(=O)O)ccc21 577405086 UKUYPPXYJKVIFD-UHFFFAOYSA-N 397.906 4.787 0 40 GJAB O=C(O)c1cccc(Cl)c1CN1CCC(c2nc3c(s2)CCCC3)CC1 577521336 BJGPIQQGSUWWJW-UHFFFAOYSA-N 390.936 4.753 0 40 GJAB COc1ccc(-c2cc(NC(=O)N3CC[C@H]4C[C@@H]4C3)ccc2OC(F)F)cc1 585099380 BVRDMJXORMJJPD-LSDHHAIUSA-N 388.414 4.837 0 40 GJAB CC(C)c1nnc(CCC(=O)N2CCCCCCCc3ccccc3OCC2)o1 643584752 RIFGIGVRUBFCOG-UHFFFAOYSA-N 399.535 4.540 0 40 GJAB Cn1c(C(=O)Nc2ccccc2Nc2ccc(F)cc2)cc(=O)c2ccccc21 1566880531 XADPTEZSRKFPOL-UHFFFAOYSA-N 387.414 4.674 0 40 GJAB O=C(CCSc1ccccc1)NC[C@H](O)c1ccc(-c2ccsc2)cc1 1775966780 YRYMONRWEKKDHY-FQEVSTJZSA-N 383.538 4.747 0 40 GJAB CCOC(=O)[C@@H](CC)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 942588 VQZXFNJSWHFWTC-LJQANCHMSA-N 396.439 4.923 0 40 GJAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cccc(C(C)=O)c1 949029 ODNHDGXSXMPMFB-UHFFFAOYSA-N 378.428 4.756 0 40 GJAB CC(C)c1nc(SCC(=O)N2c3ccccc3C[C@H]2C)c2ccccc2n1 1342870 PHSBPVWYMAHSKV-OAHLLOKOSA-N 377.513 4.823 0 40 GJAB CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)cc1 1360239 FFPPHJLKHDGNSQ-FQEVSTJZSA-N 375.472 4.880 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)OCCOc1ccc(Cl)cc1 1732298 BGMZPUOLDBHIRR-UHFFFAOYSA-N 375.635 4.648 0 40 GJAB COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(Br)cc4)c3c2c1 2417375 SFQYQGICIWFQNP-UHFFFAOYSA-N 384.229 4.966 0 40 GJAB CCCOc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)cc1 2762762 ZUEHONTZXCRISG-UHFFFAOYSA-N 381.451 4.728 0 40 GJAB COc1cccc(/C=C/C(=O)OCc2csc(-c3ccccc3)n2)c1OC 3279319 ZIILQQNMKFGZDM-VAWYXSNFSA-N 381.453 4.584 0 40 GJAB Cc1ccc(SCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4496457 CXJGZTPGHIHORI-UHFFFAOYSA-N 384.482 4.578 0 40 GJAB C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NCc1ccco1 4601632 KYMYEKPMUZMSCB-ZDUSSCGKSA-N 395.509 4.748 0 40 GJAB Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@H](C(C)(C)C)CC4 4824360 YSZKQYFDMSKJNV-CQSZACIVSA-N 392.528 4.554 0 40 GJAB Cc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(Cl)cc2)cc1 4891513 GSDOHASHNZPVDR-UHFFFAOYSA-N 385.920 4.958 0 40 GJAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 5647030 PFLXJXZRPANRMC-UHFFFAOYSA-N 377.315 4.887 0 40 GJAB Cc1cc(C)c(-c2csc(NC(=O)Cc3ccc4c(c3)OCCO4)n2)c(C)c1 7796065 XPMGJLQOJZHBOQ-UHFFFAOYSA-N 394.496 4.688 0 40 GJAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n23)c1C 8844364 VFZPUTSBGSNEJB-MRXNPFEDSA-N 390.512 4.927 0 40 GJAB COC[C@@H](C)NC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 8867293 MPPZXXCGJONJSA-OAHLLOKOSA-N 391.496 4.519 0 40 GJAB O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1cnn(Cc2ccccc2)c1 8944754 FRGCZAPNOCUQBB-LSCVHKIXSA-N 398.249 4.583 0 40 GJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3cccc(F)c3)ccc1O2 9135365 XRTNUHADZZDYJN-UHFFFAOYSA-N 376.387 4.769 0 40 GJAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N(Cc1ccco1)C1=CCCCC1 9864389 QVHMENYUYDENLE-UHFFFAOYSA-N 394.500 4.644 0 40 GJAB Cc1ccc2nc(COc3cccc(C(=O)Nc4ccc(F)cc4)c3)cn2c1 11608531 GITKOYUMMKBRCN-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB Cc1cc2occ(CC(=O)OCC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2cc1C 12569495 PHRDYACWNDDQES-HOYKHHGWSA-N 397.515 4.563 0 40 GJAB COc1cccc(-c2nc(C(=O)N3CCSc4ccccc43)cs2)c1OC 12974022 MWGASAUQCRNSBN-UHFFFAOYSA-N 398.509 4.580 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(=O)O)ccc1Cl 13168149 IVCCSDREEBGNAQ-MRVPVSSYSA-N 388.634 4.751 0 40 GJAB CCOc1cc(C)c(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1C(C)C 14010204 AUDJLDCEZDPYQA-NDENLUEZSA-N 396.462 4.749 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCCOc1cccc(Cl)c1 15280456 ZERYQIUHHYFWHI-VAWYXSNFSA-N 396.874 4.778 0 40 GJAB C[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC1CCCCC1 19623559 GZMRUUMQVPJDPX-PGRDOPGGSA-N 389.543 4.727 0 40 GJAB Cc1cccc(-c2noc(CCC(=O)Nc3c(C)ccc4nc(C)ccc34)n2)c1 19717629 MYESWFCGIQALJQ-UHFFFAOYSA-N 386.455 4.781 0 40 GJAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(C)cc1 21580735 VTNKLKBFJDPEQQ-UHFFFAOYSA-N 387.439 4.564 0 40 GJAB COc1cccc(NC(=O)c2cccnc2Nc2cccc(Br)c2)c1 22072115 LNPCTPQYCAEIHI-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3cccnc3)cc2)cc1 23130142 KVPSPBLQYAHLBV-QHCPKHFHSA-N 388.467 4.647 0 40 GJAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(COc3ccccc3)o2)n1 25013461 PUCXGHXUYURLMA-UHFFFAOYSA-N 387.439 4.913 0 40 GJAB CCOc1ccc(-c2nsc(NC(=O)c3ccccc3Cl)n2)cc1OC 27994908 SJLLJXVRFZMEQR-UHFFFAOYSA-N 389.864 4.518 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1-c1ccccc1 32459153 AXXBTCXNVHWDTN-UHFFFAOYSA-N 381.479 4.871 0 40 GJAB COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1 32796613 LXLSQMPRMOHNLJ-OAHLLOKOSA-N 394.496 4.842 0 40 GJAB COc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1Cn1ccnc1C 36752956 QKKVOJSJXZIHFN-JOCHJYFZSA-N 379.479 4.725 0 40 GJAB CSc1ccccc1CN1CCC(CNC(=O)Nc2ccccc2C)CC1 43991639 HNYVCMVTRRVGQQ-UHFFFAOYSA-N 383.561 4.751 0 40 GJAB Cc1c(C(=O)Nc2ccccc2NCC(F)(F)F)oc2c1C(=O)CC(C)(C)C2 58414970 QQNBFESZVKBUPW-UHFFFAOYSA-N 394.393 4.970 0 40 GJAB COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2cccc(C)n2)cc1 61721850 QBOKIOCZKIVPFT-UHFFFAOYSA-N 390.468 4.565 0 40 GJAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3)n2)cc1 64580025 FLHWWTZJDATXOI-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB CCc1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 67288200 RZYCHEZTMKZXKK-UHFFFAOYSA-N 377.463 4.784 0 40 GJAB O=C(c1cccnc1)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 72349125 IPIGXHXBKBLDDB-UHFFFAOYSA-N 391.902 4.741 0 40 GJAB CC[C@@H](C)Sc1ccc(NC(=O)NC[C@H](C)CC2(C)OCCO2)c(C)c1 75094217 RLIJYDRBTPGSJC-GDBMZVCRSA-N 380.554 4.796 0 40 GJAB CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1Cl 75104789 JTPDSGPDGZPFFF-KBXCAEBGSA-N 377.916 4.522 0 40 GJAB O=C(Nc1ncc(-c2ccccc2)s1)N1CCC[C@@H]1C[C@H](O)c1ccco1 89851259 OEJSIOALKFMWEN-CVEARBPZSA-N 383.473 4.523 0 40 GJAB CC(C)Oc1ccc(C(=O)NCc2ccc([C@H](O)c3cccs3)s2)cc1 90613576 JKLVKARNYQCWMR-LJQANCHMSA-N 387.526 4.609 0 40 GJAB O=C(Nc1cccnc1)[C@@H](Oc1cccc(Br)c1)c1ccccc1 95350830 LVAYDQGQNJFGLM-SFHVURJKSA-N 383.245 4.603 0 40 GJAB O=C(Nc1c(NC2CCCCC2)c2ccccc2oc1=O)NC1CCCCC1 101209263 WPZREUKNKHIXDL-UHFFFAOYSA-N 383.492 4.992 0 40 GJAB O=C(Oc1cccc2ccccc12)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 102593001 KZSMPEBIMWPTFJ-NHCUHLMSSA-N 397.430 4.515 0 40 GJAB Cc1cccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4cc(F)cc(F)c4)C3=C(O)C2)c1 102711850 ZVBHQDYEAMGLJX-SZNDQCEHSA-N 392.409 4.930 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)COc1ccccc1C 219348425 OTYYPFBTNGRWJP-XMSQKQJNSA-N 377.484 4.889 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccccc1C(C)(C)C 222801518 PJJFESPWZQUGRF-IBGZPJMESA-N 397.515 4.790 0 40 GJAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224479899 VIGOPHGTRWDHOA-RBUKOAKNSA-N 382.920 4.734 0 40 GJAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cccc(CN2CCCC2)c1 224640549 QZYSEBKOFXJTIW-UHFFFAOYSA-N 391.342 4.838 0 40 GJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1(c2ccccc2)CCCC1 225800944 OVMYTUFKFDLSFU-UHFFFAOYSA-N 395.890 4.860 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 225823817 ONNXTZKPSRMKCE-UHFFFAOYSA-N 381.856 4.528 0 40 GJAB O=S(=O)(Nc1nc2c(F)cccc2s1)c1cc(Cl)ccc1Cl 334161267 XRKDKPXUVDBHOF-UHFFFAOYSA-N 377.249 4.543 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 408554598 COPQRNQSBWVQCP-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB CCOc1c(Cl)cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1Cl 409081007 OVLMUCSLPSDGGR-GDNBJRDFSA-N 399.343 4.782 0 40 GJAB Cc1c(F)cccc1S(=O)(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 1185078067 LEMYELKNJVFLJH-OAQYLSRUSA-N 387.451 4.683 0 40 GJAB Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)cc1F 1615159421 UKMMHIPUVDHZJN-SFTDATJTSA-N 384.470 4.935 0 40 GJAB O=C(NCc1ccc(Cl)cc1)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775978969 WRCSDZYDMGHWND-GOSISDBHSA-N 386.904 4.601 0 40 GJAB Cc1ccnc([C@H]2CCCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 1848353689 WQESQKJTOOQCLK-JOCHJYFZSA-N 387.483 4.877 0 40 GJAB CCc1ccc(N2C(=O)N(CC3CCCCC3)c3ccccc3S2(=O)=O)cc1 1889120659 XYWFTHJCSIDHMC-UHFFFAOYSA-N 398.528 4.965 0 40 GJAB Cc1cc(C)cc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)c1 648848 QPISXSNQSOUQQM-UHFFFAOYSA-N 383.542 4.918 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C 1224908 HYBSWXMRQOAMFV-KIMHZCHSSA-N 396.560 4.783 0 40 GJAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)c1 1294455 HZGKIKCZPCBRSK-NFBKMPQASA-N 378.472 4.524 0 40 GJAB biogenic O=C(CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F 1400398 RXVFXPZCGWUVQH-UHFFFAOYSA-N 390.283 4.692 0 40 GJAB CCN(CC)CCC[C@H](C)Nc1ncnc2c1[C@H](c1ccccc1)C(C)(C)O2 1708595 PUPZSDCVJPVQTJ-PXNSSMCTSA-N 382.552 4.702 0 40 GJAB CCCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 2194532 XKRCETBXKONAMT-UHFFFAOYSA-N 388.471 4.730 0 40 GJAB COc1cc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c(OC)cc1Cl 2465889 LDQANNNXGOLCPZ-LLVKDONJSA-N 392.883 4.749 0 40 GJAB COc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccccc32)cc1 2687713 FTTZMEIZIBWWGA-UHFFFAOYSA-N 383.447 4.598 0 40 GJAB Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1 3117413 AENGMXHGRBDJBT-FQEVSTJZSA-N 393.487 4.551 0 40 GJAB biogenic O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1-c1nc2ccccc2[nH]1 3286145 RDGFJBZLOKLZRM-ZRDIBKRKSA-N 383.407 4.611 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(C)s2)c2ccccc2)c1 3368156 NXJGIZNUUPTYRX-KRWDZBQOSA-N 383.498 4.521 0 40 GJAB CC(C)n1nc(C(=O)Oc2cccc(Cl)c2Cl)c2ccccc2c1=O 3603232 PKASMCSPSSJQIE-UHFFFAOYSA-N 377.227 4.503 0 40 GJAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cccc(C)c1 5478351 IBSIVYJIZOKAIX-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(Oc2ccccc2)c1 6083527 ZOSGHLPEECWUOH-QGZVFWFLSA-N 387.435 4.614 0 40 GJAB Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nn12 6320511 PCEOPZVLTKQNDW-UHFFFAOYSA-N 391.500 4.711 0 40 GJAB COc1cccc(OC)c1OCCCCCN1CCCC[C@@H]1c1cccnc1 6624370 BLBPHQYKPLLCEP-HXUWFJFHSA-N 384.520 4.875 0 40 GJAB biogenic Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccco1)Cc1ccccc1F 6747654 JSLOSYMNFIVLQC-UHFFFAOYSA-N 387.838 4.988 0 40 GJAB COc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(Cl)cc2)c(F)c1 7275094 APEKOEFUPHROHW-UHFFFAOYSA-N 392.883 4.670 0 40 GJAB O=C(NC1CCC(O)CC1)c1ccc(CSc2ccc(Cl)cc2)cc1 7736774 NDUHMVNEGUNKOV-UHFFFAOYSA-N 375.921 4.666 0 40 GJAB COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2sccc2C)cc1 7884482 ZYCZQFHWGKIZFX-NRFANRHFSA-N 378.497 4.874 0 40 GJAB Cc1ccccc1-n1nc(C(=O)NC2CCCCC2)nc1-c1cccc(Cl)c1 8476555 DZOWDVCRONZXQS-UHFFFAOYSA-N 394.906 4.959 0 40 GJAB CC(C)C(=O)N1CCc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C1 9035928 PPVHTZMCLZNESE-UHFFFAOYSA-N 391.298 4.786 0 40 GJAB CCn1c(SCC(=O)c2cccc(OC)c2)nnc1-c1ccc(Cl)cc1 9071012 BMFMQMSSHOWJOM-UHFFFAOYSA-N 387.892 4.602 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1nnc(C[C@@H](C)c2ccccc2)s1 9095443 LWXIGPPNQUJZMN-GFCCVEGCSA-N 387.892 4.799 0 40 GJAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21 9137583 KTPCPSOYNWXYBU-UHFFFAOYSA-N 390.405 4.893 0 40 GJAB CCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3cccnc3)cc2o1 9660294 CNAXLKNDINCETO-UHFFFAOYSA-N 386.407 4.506 0 40 GJAB biogenic C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCc2sccc2C1 10767715 PYJQDYNLZCFFLO-SNVBAGLBSA-N 388.842 4.806 0 40 GJAB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 10768498 NKYOKHDDFOBAIU-LLVKDONJSA-N 392.286 4.781 0 40 GJAB CCOc1ccccc1NC(=O)Cn1c(SCC(C)C)nc2ccccc21 12520346 FNGLOJVCLVMKRF-UHFFFAOYSA-N 383.517 4.822 0 40 GJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(F)cc1Cl)O[C@H](C)C2 12562187 XVRIWGPARVOJGW-VXGBXAGGSA-N 392.858 4.640 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 12623290 GZLLUFUUOFHFEG-CPUCHLNUSA-N 398.532 4.602 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1OC 12928518 YDDXTYPXOLGBQW-UHFFFAOYSA-N 380.469 4.568 0 40 GJAB CN(CC(=O)Nc1nc(-c2cc3ccccc3o2)cs1)Cc1ccc(F)cc1 14129454 ZBVHDPNFIDAKJS-UHFFFAOYSA-N 395.459 4.766 0 40 GJAB COc1ccc(OC)c(NC(=O)CN[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 14165310 SLUVGFWTALKKAM-KRWDZBQOSA-N 390.483 4.660 0 40 GJAB C[C@@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc2ccccc2c1 15227770 XTHYCNBCFFPJKZ-CYBMUJFWSA-N 394.525 4.656 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Cl)cc1Cl 15422626 RCFGQTWNHOTIKY-GOSISDBHSA-N 375.255 4.896 0 40 GJAB Cc1ccc(-c2nc3n(c2CNC(=O)c2cccc(C)c2C)CCS3)cc1 17051280 YPLGJJMQAQDNKI-UHFFFAOYSA-N 377.513 4.511 0 40 GJAB CC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)c2ccc(F)cc2)cc1 19018104 ZHZJDODMMGGPJK-OAQYLSRUSA-N 394.471 4.634 0 40 GJAB O=C(c1cccc(Cn2cccn2)c1)N1CCc2sccc2[C@H]1c1ccccc1 19370052 CMXJVOKRYUFDIY-HSZRJFAPSA-N 399.519 4.781 0 40 GJAB Cc1c(C(=O)Nc2nc(-c3cnn(C)c3C)cs2)n(C)c2ccc(Cl)cc12 19656272 MQRUGWPIYAREPD-UHFFFAOYSA-N 399.907 4.558 0 40 GJAB CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20550233 OFXZDFYZDMYANP-UHFFFAOYSA-N 394.496 4.689 0 40 GJAB O=C(CCc1cn(CN2CCCCCC2)c2ccccc12)N1CCCCCC1 20649524 FWXYFELDTYQBCJ-UHFFFAOYSA-N 381.564 4.810 0 40 GJAB O=C(CCn1cnc2sccc2c1=O)Oc1ccc(C2CCCCC2)cc1 21434623 LDEUTJAPOGIWLF-UHFFFAOYSA-N 382.485 4.501 0 40 GJAB CCCCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12 21792727 VBQZWAUZAOVECI-UHFFFAOYSA-N 381.329 4.511 0 40 GJAB CCc1ccc(NC(=O)c2cn(CC)c3ccc(C(F)(F)F)cc3c2=O)cc1 22236738 RLELWUCUONSQHE-UHFFFAOYSA-N 388.389 4.855 0 40 GJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)cc1 22529580 SGAKDLLLDOXTLQ-CYBMUJFWSA-N 384.328 4.810 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2cc(OC)cc(OC)c2)cc1 24393330 NUGUDGRAOKYKTM-HSZRJFAPSA-N 397.515 4.789 0 40 GJAB CCc1ccc2oc(C(=O)N(Cc3ccco3)Cc3cccs3)cc(=O)c2c1 27794836 CVIHAQKSMLMBOV-UHFFFAOYSA-N 393.464 4.853 0 40 GJAB Cc1nn(Cc2ccc(C(=O)Nc3ncc(Cl)cc3Cl)o2)c(C)c1Cl 27981079 XIMVHLFVPSLMDT-UHFFFAOYSA-N 399.665 4.749 0 40 GJAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(C)cc3)c3ccccc23)cc1 28535117 PJRBIUDKYSCYQH-UHFFFAOYSA-N 383.451 4.781 0 40 GJAB CSc1nc(C(C)C)nc(C)c1C(=O)NCc1ccc(Cl)cc1Cl 32759336 BRAXGVLCKIFRLI-UHFFFAOYSA-N 384.332 4.867 0 40 GJAB CCOc1cc(CN(CC)C(=O)COc2ccc(Cl)cc2Cl)ccc1O 32916004 BRYDQSGCTITZLL-UHFFFAOYSA-N 398.286 4.525 0 40 GJAB CCn1cc(/C=C2\C[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 36613015 CCDFNZRIXBXVSZ-TWNZBZIZSA-N 392.543 4.828 0 40 GJAB CCn1c(Sc2ncnc3sc4c(c23)CCCCC4)nnc1-c1ccco1 40023329 JIRPAQTUHVWACV-UHFFFAOYSA-N 397.529 4.983 0 40 GJAB CC(C)(C)c1nc2cc(NC(=O)CCc3nnc(-c4ccccc4)o3)ccc2o1 40081643 LPFDZFIHWYBNCQ-UHFFFAOYSA-N 390.443 4.747 0 40 GJAB CC(C)c1ccc(NC(=O)C2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 44443270 GVJLADGHJHRJHN-UHFFFAOYSA-N 376.504 4.537 0 40 GJAB CC[C@@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc(OC)cc1 44936472 BDUIVLAQFGYOCA-HSZRJFAPSA-N 380.532 4.952 0 40 GJAB CS[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]12 44964177 FWRDLPQBEOKIRE-UCAJZEKNSA-N 388.573 4.936 0 40 GJAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)cc1 48302654 SUYPSYYBMYADJK-UHFFFAOYSA-N 386.439 4.759 0 40 GJAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3cc(C)c(C)s3)n2)cc1 52773683 QESOAFYHBRGPOC-GFCCVEGCSA-N 399.541 4.938 0 40 GJAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccc(OC)c(F)c2)cc1 71760500 KSOIZLRKQRPKCB-UHFFFAOYSA-N 376.453 4.600 0 40 GJAB Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(C(=O)C(C)C)CC3)c12 72335996 WFYNPZSVALMINA-UHFFFAOYSA-N 398.551 4.579 0 40 GJAB Cc1cnccc1-c1c[nH]nc1-c1ccc(CNC(=O)c2ccccc2F)cc1 72344972 WUHPSVNSTFDIAS-UHFFFAOYSA-N 386.430 4.516 0 40 GJAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCCN(Cc3cn(C)c4ccccc34)C2)n1 72353754 RTDZUBOYRVNSIH-LJQANCHMSA-N 399.542 4.662 0 40 GJAB Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccc(F)cc2)Cc2ccccc2F)on1 72395081 BJOVDWJEFNYQFN-AUSIDOKSSA-N 398.453 4.521 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(F)cc1Cl)SCC(O)=N2 79482553 RALJPBFRKNYRHM-KRWDZBQOSA-N 388.855 4.792 0 40 GJAB COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccco3)c3ccsc3)c12 95478485 AYAOUMJGNWFJHM-INIZCTEOSA-N 380.469 4.669 0 40 GJAB COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccsc3)c12 95478486 AYAOUMJGNWFJHM-MRXNPFEDSA-N 380.469 4.669 0 40 GJAB COCc1nc(N[C@H](C)[C@@H]2CCCOC2)c2c(-c3ccccc3)csc2n1 96002024 CAMDACMALWTKBB-GDBMZVCRSA-N 383.517 4.732 0 40 GJAB CCN(Cc1cnc2ccccn12)C(=O)C1c2ccccc2Oc2ccccc21 96025065 ZWUMHXAOCVTCJG-UHFFFAOYSA-N 383.451 4.621 0 40 GJAB O=C(c1ccco1)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)s1 96119794 MUFJYFVLQNODFX-UHFFFAOYSA-N 379.359 4.521 0 40 GJAB O=C(O)[C@H]1[C@H]2c3ccc4ccccc4c3[C@@H](c3ccc4ccccc4c32)[C@H]1C(=O)O 100991150 LBRBVSQTXLMADP-WAPCQROESA-N 394.426 4.985 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 222899262 CRGHVLFUMCLEFV-SFTDATJTSA-N 397.515 4.834 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)c1C 223027435 JPTUMKGCELKEDN-LJQANCHMSA-N 389.879 4.930 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1cccc2ccccc12 223552479 CXCPZOAABQUULB-OAQYLSRUSA-N 377.484 4.809 0 40 GJAB Cc1nc(NC(=S)N[C@H](C)c2ccccc2)c(Br)cc1Cl 223954751 CLNUTCDETVFHOT-SECBINFHSA-N 384.730 4.854 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(C)c(Cl)c1 224164344 HUDLKAUYEOBBMO-QGZVFWFLSA-N 382.287 4.654 0 40 GJAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c2cccnc12 225579786 ZRMWDLZRCGERPM-QGZVFWFLSA-N 393.512 4.832 0 40 GJAB O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1ccccc1F 226287779 GRAJUSIHSAZPBB-UHFFFAOYSA-N 380.806 4.892 0 40 GJAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1[C@H]2CC[C@H]1c1ccccc12 527271252 MCXSDRDJFNZRGF-FSSWDIPSSA-N 376.500 4.558 0 40 GJAB CC(C)c1nc([C@H]2CCCN2c2nc(C(F)F)nc3ccc(F)cc23)no1 647863072 TWGIIDVBOPCDRE-CYBMUJFWSA-N 377.370 4.554 0 40 GJAB COCCc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C)O[C@@H](C)C3)cc2)cc1 666034754 NYHJXIANLDAHMC-MSOLQXFVSA-N 398.503 4.699 0 40 GJAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 670846542 XVAMLKDIMBEEGS-STQMWFEESA-N 391.842 4.765 0 40 GJAB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1F 681039 VIIGKPVWHIDMOE-UHFFFAOYSA-N 391.427 4.761 0 40 GJAB COc1ccc(C(=S)N2CCCCC2)cc1OC(=O)c1ccc(Cl)cc1 866309 CTGFAFMNPSAKTN-UHFFFAOYSA-N 389.904 4.729 0 40 GJAB S=C(Nc1ccccc1Cl)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccco1 1377744 AFLJGFNCKSEUNX-HOTGVXAUSA-N 389.952 4.805 0 40 GJAB O=C1S/C(=C/c2ccccc2)C(=O)N1CNc1cccc(C(F)(F)F)c1 1424016 DUJBYIFMSQMYDE-OQLLNIDSSA-N 378.375 4.811 0 40 GJAB Nn1c(SCc2ccccc2Cl)nc2sc(-c3ccccc3)cc2c1=O 2181055 RXBQJIIZXGBUHP-UHFFFAOYSA-N 399.928 4.785 0 40 GJAB Cc1coc2cc3oc(=O)c(CC(=O)NC[C@H](C)c4ccccc4)c(C)c3cc12 4084895 CBJJKBFZOVCIDT-AWEZNQCLSA-N 389.451 4.618 0 40 GJAB biogenic Cc1c(CC(=O)N2CCCC2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 4743916 VBIYTIKNWVJBPU-UHFFFAOYSA-N 381.472 4.618 0 40 GJAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccnc2)n2c(nc3ccccc32)N1 4767922 UVEVWKAJDVDIRV-NRFANRHFSA-N 388.471 4.596 0 40 GJAB COc1ccc(OC)c([C@@H]2O[C@H]3CCCC[C@@H]3c3cc(OC)c(OC)cc32)c1 4783743 HUVLGXCTVIMPTE-ZNRXUEPQSA-N 384.472 4.867 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2nnc(N)s2)cc1 4813630 BIVBONOAASSCHV-UHFFFAOYSA-N 390.921 4.627 0 40 GJAB CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 4849455 HEZWWEDOMRSUQM-UHFFFAOYSA-N 394.496 4.874 0 40 GJAB Cc1ccccc1OCCn1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 4910780 GKNGAHCOVYIWKN-SFHVURJKSA-N 391.515 4.538 0 40 GJAB O=C(Nc1cccc2ccccc12)C1CCN(C(=O)NC2CCCCC2)CC1 4965505 VCZJECGUBGCIHH-UHFFFAOYSA-N 379.504 4.533 0 40 GJAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1cccc(Cl)c1Cl 5209451 GMNXRVPDYDCQND-SNVBAGLBSA-N 393.299 4.898 0 40 GJAB CCC[C@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(OC(C)C)cc1 6265377 LDAJRIAODYMKGN-UGSOOPFHSA-N 389.521 4.749 0 40 GJAB Cc1ccc2c(COC(=O)Cc3ccc(Cl)cc3Cl)cc(=O)oc2c1 6302182 HUYYWUGESHAGDD-UHFFFAOYSA-N 377.223 4.694 0 40 GJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc(Br)cc1F 6646288 YJMPZNIPIAXQDG-UHFFFAOYSA-N 388.668 4.655 0 40 GJAB CC(=O)Nc1cccc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)c1 6647241 YZJYZYFCUPVNJT-UHFFFAOYSA-N 384.439 4.520 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O 6657333 SSXDRTHIRISCQP-LICLKQGHSA-N 386.429 4.918 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 6657364 JGQZSSLNYJCLPV-OQLLNIDSSA-N 392.820 4.955 0 40 GJAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCc2sccc2[C@H]1c1cccs1 7118848 AMNBHHKERNJNRN-FQEVSTJZSA-N 391.521 4.988 0 40 GJAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1ccccc1 7608928 ZEXKBDMETLPQNV-UHFFFAOYSA-N 386.451 4.954 0 40 GJAB C[C@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1cccc2ccccc12 8528171 PXNOKTCCHCQJJV-ZDUSSCGKSA-N 394.525 4.656 0 40 GJAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2onc3c2CCCCC3)CC1 12121220 DYQMFLLAKDXSPL-UHFFFAOYSA-N 392.421 4.982 0 40 GJAB COc1cccc(CC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 12764890 LCNPRTFKRXLDMZ-UHFFFAOYSA-N 380.425 4.853 0 40 GJAB COc1cccc(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2Cl)c1 12767725 XKLIHCVIGWWIJI-GOSISDBHSA-N 390.867 4.553 0 40 GJAB CC(C)Oc1ccc(C(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)cc1 14168477 TULSOVOCNMVLAV-UHFFFAOYSA-N 379.460 4.575 0 40 GJAB Cc1cc(C(=O)Nc2cccc(C3SCCCS3)c2)c2c(C)noc2n1 14525108 VTKUTGUTRATKMQ-UHFFFAOYSA-N 385.514 4.961 0 40 GJAB Cc1cccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c1 17135369 BRFRWARSKVPHCI-UHFFFAOYSA-N 385.876 4.538 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1c(F)cccc1F 17178245 XNTVVJQCTIYTNS-UHFFFAOYSA-N 392.405 4.810 0 40 GJAB COc1ccc([C@H](CNC(=O)c2ccc(F)cc2)c2c[nH]c3ccccc23)cc1 18074505 CNHLONJADITFHE-NRFANRHFSA-N 388.442 4.878 0 40 GJAB COc1cc(CNC(=O)c2ccc(F)cc2Cl)ccc1OCc1ccccc1 18160994 AEBYJIJBRPOXSU-UHFFFAOYSA-N 399.849 4.997 0 40 GJAB Cc1nn([C@H](C)CC(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)c(C)c1C 19556230 PVYSYHNIZVVTTF-SSXQJHBHSA-N 379.548 4.848 0 40 GJAB CN1CCN([C@@H]2Cc3ccc(F)cc3Sc3cc(F)c(Cl)cc32)CC1 19802393 FAPGOSVHYQLFEO-QGZVFWFLSA-N 380.891 4.614 0 40 GJAB COCCc1ccc(OS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)cc1 21168340 IIZGXAVHYVKWDF-UHFFFAOYSA-N 389.300 4.567 0 40 GJAB COc1cccc(Cn2cnc3c(-c4cccc(Cl)c4)csc3c2=O)c1 23126541 UPZIGSPIIDJKJQ-UHFFFAOYSA-N 382.872 4.835 0 40 GJAB CCCc1ccc([C@H](NCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C(C)C)cc1 24771879 HEBDDHRVKZOMBC-OAQYLSRUSA-N 395.572 4.913 0 40 GJAB Cc1csc(=O)n1CCCC(=O)N[C@H](c1ccc(CC(C)C)cc1)C(C)C 25055234 KEGIMWBKRHFKKN-NRFANRHFSA-N 388.577 4.710 0 40 GJAB Cc1ccccc1-[n+]1cc(-c2ccc(Br)cc2)n2c1SCCC2 26441376 VBZAOSTWYUGGBY-UHFFFAOYSA-N 386.338 4.999 0 40 GJAB C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Br)cn1 27974920 UBNCUZMEANUDIL-QMMMGPOBSA-N 390.064 4.557 0 40 GJAB COc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3ccc(OC)c(F)c3)o2)cc1 32836945 SRXLKQNTJWTQJW-OAHLLOKOSA-N 397.446 4.913 0 40 GJAB CCCC(=O)Nc1ccc(C(=O)COc2ccc(F)cc2Br)cc1 32864058 JDCBTCVOVVVABX-UHFFFAOYSA-N 394.240 4.589 0 40 GJAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1 35671540 XQDPHRYKQPOZHZ-UHFFFAOYSA-N 395.484 4.728 0 40 GJAB CCCOc1ccccc1NC(=O)CN(C)[C@@H](C)c1nc2ccccc2s1 39536492 ZRXUOGMNIWRLCN-HNNXBMFYSA-N 383.517 4.717 0 40 GJAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(-c2cccc(Cl)c2)on1 48231189 PIBUUBASTLIBSB-UHFFFAOYSA-N 383.860 4.877 0 40 GJAB COc1ccc(CN2Cc3c(sc(C)c3C)N(C(=O)c3ccco3)C2)cc1 54072988 MSWRIWGIHFNUIK-UHFFFAOYSA-N 382.485 4.587 0 40 GJAB Cc1cccn2cc(CC(=O)Nc3ccccc3CN(C)C3CCCCC3)nc12 58166330 BJZNQQUVNYMOSV-UHFFFAOYSA-N 390.531 4.588 0 40 GJAB COc1ccc([C@H](C)NC(=O)[C@@H](SCc2ccccc2)C(C)C)c(OC)c1 58306770 SDSDTYMSTRRWTF-KKSFZXQISA-N 387.545 4.839 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(-c2ccccc2)cc1 58843061 JFBQQJXFWBRJJH-OAQYLSRUSA-N 375.472 4.905 0 40 GJAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1 59211012 AVDLFOYCEDLJAP-JTQLQIEISA-N 399.082 4.618 0 40 GJAB Cc1cc(C)cc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1 67298002 NXLAPUGVOFEROX-ATJXCDBQSA-N 391.452 4.696 0 40 GJAB O=C(OCc1ccccc1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccccc1 97133882 RURQTQFJRQFMPK-FECDSJAMSA-N 389.495 4.603 0 40 GJAB COc1ccc(C(C)(C)C)cc1CN1C[C@H]2CCC[C@H](C1)C2(O)c1ccccn1 100148936 JZIZAFMPKVRZTL-NHCUHLMSSA-N 394.559 4.507 0 40 GJAB C[C@@]1(c2ccccc2)CC[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2C1 101076247 ZFUNSQLABWWPNS-WAOWUJCRSA-N 398.300 4.697 0 40 GJAB O=C(c1cccc(-n2cccn2)c1)N1CCS[C@H](c2ccccc2Cl)CC1 206997558 RJCXNBMGRUZTKY-FQEVSTJZSA-N 397.931 4.846 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 222904885 NYHFUJFNXMMCMV-HUUCEWRRSA-N 396.379 4.534 0 40 GJAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(OC)cc1 224242548 BXONNYQBYREJRL-SFHVURJKSA-N 381.900 4.988 0 40 GJAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1(c2ccccc2)CCCC1 225001987 GJNXNZQQHFKRNV-UHFFFAOYSA-N 381.863 4.518 0 40 GJAB CCOc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 225685898 BPZFTVMFHYHKKK-GOSISDBHSA-N 386.517 4.683 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)C2(c3ccccc3)CCOCC2)cc1 225689172 QDYXWKBKHBKHNF-JOCHJYFZSA-N 381.516 4.647 0 40 GJAB CCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCCCCC1 225830495 ORIKZNLTBSBJMC-MRXNPFEDSA-N 391.508 4.719 0 40 GJAB CCCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C(=O)OCC 225831839 VTIAEJBMRBICAR-KSFYIVLOSA-N 391.508 4.576 0 40 GJAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2Br)cc1N 226266150 YYBGHSKGDXJCOD-CYBMUJFWSA-N 388.309 4.662 0 40 GJAB CCN(C(=O)C(F)(F)F)c1ccc(-c2cc3ccccc3oc2=O)c(C)c1 226358436 IRCWFFYZIXQVGX-UHFFFAOYSA-N 375.346 4.684 0 40 GJAB O=C(Cc1cccc2ccccc12)NC[C@@H](O)c1ccc(-c2ccsc2)o1 390829865 HDAUBMAWGZAHCI-LJQANCHMSA-N 377.465 4.554 0 40 GJAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1 408627821 OAZVNAVMRGDUHQ-UHFFFAOYSA-N 399.299 4.613 0 40 GJAB CCn1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(=O)c2cc(Cl)ccc21 408713465 ZWFYNRWDUCZEBG-UHFFFAOYSA-N 375.255 4.889 0 40 GJAB Cc1nn(CCNC(=O)c2ccccc2C(F)(F)F)c(C)c1-c1cccs1 575613078 UPCQKZRBNJXMGO-UHFFFAOYSA-N 393.434 4.677 0 40 GJAB O=C(/C=C/c1ccccc1)N1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 585291492 CXTVMBIAPDBZPG-IENJSVCTSA-N 390.512 4.701 0 40 GJAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@H](c3cccc4cccnc34)C2=C1O 1547206057 SFTPPVFQUFRWHT-FQEVSTJZSA-N 394.434 4.566 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)CCc2ccc(F)cc2)CN1c1ccc(F)cc1 1615120675 MBGQOQLVWGEQQV-DEOSSOPVSA-N 398.497 4.948 0 40 GJAB C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccc(Cn4ccccc4=O)o3)c21 1615550026 UPJUHORSPPUIIR-HNNXBMFYSA-N 376.456 4.527 0 40 GJAB Cc1ccc2cc(C=C3N=C(c4ccccc4)OC3=O)c(N3CCCCC3)nc2c1 2049309077 ULKFHUCKRINUEZ-UHFFFAOYSA-N 397.478 4.878 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)cc1OC 815119 MPIQCWHCUZJJKA-UHFFFAOYSA-N 393.226 4.918 0 40 GJAB O[C@H]([C@H](c1ccccc1)N1CCCCC1)C(O)(c1ccccc1)c1ccccc1 1690376 WCNZEPPRMMCDML-LOSJGSFVSA-N 387.523 4.511 0 40 GJAB CCCOc1cccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)c1 2049792 YWMPBINJAQZDGR-UHFFFAOYSA-N 382.407 4.621 0 40 GJAB CCCCc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)n2)cc1 2091482 VVSCFBOIOAMXIH-SJORKVTESA-N 384.501 4.758 0 40 GJAB O=C1C[C@@H](c2csc([C@H]3CC(=O)OC34CCCCC4)n2)C2(CCCCC2)O1 2105699 ZLYUWLDLNQGNQB-LSDHHAIUSA-N 389.517 4.610 0 40 GJAB biogenic COc1ccc(CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1 2299143 XRIVVTLLFDUSGI-UHFFFAOYSA-N 382.514 4.519 0 40 GJAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1CC(C)C 3362703 IOFQPKSFPOHUMU-UHFFFAOYSA-N 398.507 4.779 0 40 GJAB C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@@H]2CC[C@]3(OC(C)=O)C(C)=O)[C@@]2(C)CCC(=O)C=C12 4024890 YCDZXIYKJHQMIG-JQBUYCCYSA-N 384.516 4.575 0 40 GJAB biogenic Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1cccc(F)c1 4036384 VWGHTZBULHDEBO-UHFFFAOYSA-N 399.472 4.607 0 40 GJAB COC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)cc1 4256339 NAMOTUCHTFMKIC-UHFFFAOYSA-N 385.423 4.577 0 40 GJAB CC(C)COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 4362720 SQYRTFAGKFAVIH-CQSZACIVSA-N 375.852 4.559 0 40 GJAB Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C(=S)Nc2ccccc2)c1 4857345 FDDNAGXVMWNGHX-SEJPIABJSA-N 393.556 4.507 0 40 GJAB Cc1ccc2nc(-c3ccc(SCC(=O)N(C(C)C)C(C)C)nc3)[nH]c2c1 4903565 SFUUQOWGJOHWLP-UHFFFAOYSA-N 382.533 4.671 0 40 GJAB CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccco4)=NN32)cc1 5016997 LJWGHTGAKNXIMX-WMZHIEFXSA-N 390.439 4.929 0 40 GJAB Cc1noc(C)c1CSc1nc2cc(Cl)ccc2c(=O)n1CC(C)C 5212525 IHJSRMPRBJPNQU-UHFFFAOYSA-N 377.897 4.603 0 40 GJAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2ccncc2)N1 5525740 CSEBDOFFWLWJNL-HXUWFJFHSA-N 384.464 4.614 0 40 GJAB COc1ccccc1N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 6275304 JYSKOAWMOPJVLI-UHFFFAOYSA-N 387.483 4.776 0 40 GJAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)CC(C)C)ccc3o2)cc1C 6546776 GQCYNXBMYFQTOF-UHFFFAOYSA-N 381.501 4.971 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)n2C)c1 6582939 WPOZJWOGBJWDRV-UHFFFAOYSA-N 376.485 4.555 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1C1CC1 7618093 CEMINGDOHXZOMC-UHFFFAOYSA-N 394.500 4.699 0 40 GJAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc2c(c1)OCO2 7640768 AIJUMQJSFVCKAF-KRWDZBQOSA-N 388.467 4.541 0 40 GJAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)NC1CCCC1 7779087 HODVQOHWGOVQMS-UHFFFAOYSA-N 390.405 4.559 0 40 GJAB Cc1nc(-c2ccc(CNC(=O)CCc3nc4ccccc4o3)s2)cs1 7821347 NZEMEGACGLOHBM-UHFFFAOYSA-N 383.498 4.570 0 40 GJAB CCOc1ccccc1OCCCC(=O)Nc1ccc(Br)cc1 7914067 DAAZTXQHFLAUEV-UHFFFAOYSA-N 378.266 4.646 0 40 GJAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1cccc2ccccc12 7927220 TZOTWVIYDFLPEI-GOSISDBHSA-N 380.513 4.521 0 40 GJAB COc1cc(OC)cc(C(=O)N(CCc2ccccc2)Cc2cccs2)c1 8036727 ITKXATFTAIVTTQ-UHFFFAOYSA-N 381.497 4.650 0 40 GJAB O=c1[nH]c(CSc2nc3ccccc3[nH]2)nc2scc(-c3ccccc3)c12 8311135 HNVWOIYRIQMRJR-UHFFFAOYSA-N 390.493 4.820 0 40 GJAB O=C(COc1ccccc1-c1ccccc1)Nc1nc(-c2ccc[nH]2)cs1 8325254 RFOKUADLABLVHX-UHFFFAOYSA-N 375.453 4.823 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(-c3ccco3)o2)cs1 8393563 JTLBZLMEYWQESH-UHFFFAOYSA-N 398.469 4.763 0 40 GJAB CCOc1ccc(OCCSc2nnc(-c3ccccc3F)n2C2CC2)cc1 8427863 DUDBMRLYFMHTKY-UHFFFAOYSA-N 399.491 4.989 0 40 GJAB Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3C(=O)O)cc2)c1C 8434555 XZLGTCWMPIRHAF-UHFFFAOYSA-N 388.423 4.506 0 40 GJAB CC(C)OC(=O)c1ccc2nc(NC(=O)CSc3ccccc3)sc2c1 8903668 XZLGWFDQHVYVSA-UHFFFAOYSA-N 386.498 4.592 0 40 GJAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 8959109 PQHPDSFMAZDNLG-UHFFFAOYSA-N 380.488 4.655 0 40 GJAB Cc1nc2ccc(C(=O)Nc3cccc(C(=O)N(C)C4CCCCC4)c3)cc2[nH]1 12143767 HABKAKMFTHLQTI-UHFFFAOYSA-N 390.487 4.528 0 40 GJAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@H](C)c1ccccc1 12979746 MMGWRSPWNQGFFO-HNNXBMFYSA-N 397.906 4.509 0 40 GJAB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1 13635010 AURZZEWHUSZNDV-FQEVSTJZSA-N 393.512 4.999 0 40 GJAB O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 14567015 RVRJQYDLKOXFTK-UHFFFAOYSA-N 377.271 4.872 0 40 GJAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(CC)cc3)cc2s1 17081305 GXXNQEFZWRFHPC-UHFFFAOYSA-N 397.500 4.615 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2ccccc2C)cc1Cl 20460328 JRLMXQSUGNATIW-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)ccc1Cl 20490975 UJGBVXQGBYLAEY-OAHLLOKOSA-N 389.879 4.848 0 40 GJAB CN(Cc1nc(O)c2sccc2n1)Cc1ccc(-c2ccc(Cl)cc2)o1 24602338 URRZPIOELSTYQK-UHFFFAOYSA-N 385.876 4.942 0 40 GJAB CC(C)C(=O)Nc1ccc(-c2csc(Cc3cn4ccccc4n3)n2)cc1 25048217 LEHSSAIVHYMNGT-UHFFFAOYSA-N 376.485 4.643 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)Oc1ccccc1Br 28249040 ZOCFOBVGATWHAN-UHFFFAOYSA-N 380.288 4.782 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc(C)c1-c1ccc(Cl)cc1 28284544 SEHBNPKCRIWWIG-CQSZACIVSA-N 393.892 4.671 0 40 GJAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(Oc2ccccc2)cc1 29027328 ISJVELPWHFUOBM-UHFFFAOYSA-N 383.451 4.654 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)CN[C@@H](c2ccc(C)cc2)c2cccs2)c1C 37470626 FFZSHDSMAPFNDZ-QFIPXVFZSA-N 380.513 4.766 0 40 GJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1cccc(OC)c1)CO3 55396256 VKYAHYVORGWWQC-UHFFFAOYSA-N 393.483 4.805 0 40 GJAB Cc1cc2oc(=O)cc(CN3CCN(c4ccccc4)CC3)c2cc1C(C)C 57945211 OYAZHGTUPFKKOB-UHFFFAOYSA-N 376.500 4.547 0 40 GJAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 58053514 BCCATKDSISHFAC-QGZVFWFLSA-N 392.286 4.937 0 40 GJAB Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c(C)n1CC(F)(F)F 58260938 GGTHBEGMUPKDJR-GOSISDBHSA-N 379.426 4.820 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCC1)N(Cc1ccccc1)C1CCCCC1 72275401 TYHXTNUUBMQGIU-JOCHJYFZSA-N 395.547 4.961 0 40 GJAB Cc1nn(C(C)C)c(C)c1NC(=O)NCc1ccccc1CN1CCCCCC1 72281502 IHBPBBOCSUBGLC-UHFFFAOYSA-N 397.567 4.779 0 40 GJAB O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc(Cl)c1 89827797 RFKXVCFYHXVFER-NRFANRHFSA-N 396.899 4.880 0 40 GJAB O=C(Cc1cccc2ccccc12)NCC1CCN(Cc2ccccc2F)CC1 89873225 DCPUILMNCDFQQS-UHFFFAOYSA-N 390.502 4.550 0 40 GJAB CC(C)(C)C(=O)N1CCC(CSc2nnc(C3CC3)n2-c2ccccc2)CC1 96010368 AKNBPXVWEJZFQK-UHFFFAOYSA-N 398.576 4.522 0 40 GJAB COc1ccccc1CNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C 96037349 ZYPGUWJCRZQTAS-UHFFFAOYSA-N 375.472 4.653 0 40 GJAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(C(=O)N(C)C)cc3)n2)cc1C 97001041 NKXBLIHIEPTLJN-UHFFFAOYSA-N 393.512 4.689 0 40 GJAB Cc1ccc(Cl)c2ccc(NC(=O)c3ccc(-c4ccccc4)[nH]c3=O)nc12 97230890 HHXOFKZGBRIRIX-UHFFFAOYSA-N 389.842 4.804 0 40 GJAB COc1ccc(-c2c(C)nn3c(O)c(Cc4cccc(Cl)c4)c(C)nc23)cc1 102732890 RVVRMLQYIHFDJC-UHFFFAOYSA-N 393.874 4.972 0 40 GJAB COc1cccc(N2C(=O)/C(=C\Nc3cccc(C)c3)c3ccccc3C2=O)c1 102981501 NFEAWBAKQKZFDI-JCMHNJIXSA-N 384.435 4.644 0 40 GJAB O=[N+]([O-])c1ccc(Cl)c(/C=N\Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 136487047 IZQMZABGVXSZNE-GXHLCREISA-N 388.689 4.621 0 40 GJAB O=C(NCCSCc1c(F)cccc1Cl)c1ccc(Cl)cc1F 222552609 UYBNHXKZYSJTOO-UHFFFAOYSA-N 376.255 4.935 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccccc1OC 222929760 AZCBPCRJJJXWHB-NRFANRHFSA-N 383.532 4.899 0 40 GJAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 223843824 IIOUOASNGBAFPZ-IAGOWNOFSA-N 387.917 4.679 0 40 GJAB COc1ccc2ccccc2c1CCC(=O)NCc1ccnc(-c2cccnc2)c1 225640050 BICQEMBIBSOFOM-UHFFFAOYSA-N 397.478 4.554 0 40 GJAB CC(C(=O)N1CCC(Cc2ccncc2)CC1)(c1ccccc1)c1ccccc1 257268443 MLRXAGHZSLSIDV-UHFFFAOYSA-N 384.523 4.869 0 40 GJAB CC(C)CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2s1 408750839 SIHZVJIXSOBJDL-KBPBESRZSA-N 392.546 4.874 0 40 GJAB Cc1cc(OCC(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)ccc1Cl 526052448 OOZWYPKLKBBEIX-IBGZPJMESA-N 399.878 4.591 0 40 GJAB O=C1CC[C@]2(CCCN(Cc3cc(F)ccc3F)CC2)N1Cc1ccccc1 585100061 DNBULORGPGEHJB-QHCPKHFHSA-N 384.470 4.512 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148833 ISOJOXFPXONXLJ-HSZRJFAPSA-N 398.506 4.910 0 40 GJAB Cc1ccc(-n2nc(C)c3c(N)c4c(nc32)C[C@H](c2ccccc2)CC4=O)cc1 618256549 JOAJBGSRRCEWSO-KRWDZBQOSA-N 382.467 4.532 0 40 GJAB Cc1ccc(N(C)C(=O)C2CC(OCc3ccccc3)C2)cc1Br 1518377715 BSAJAUHAWDEHLV-UHFFFAOYSA-N 388.305 4.716 0 40 GJAB C[C@@H](NC(=O)c1cc(Br)ccc1Br)c1ccccc1 682480 IBGCTMSFAXDDHR-SNVBAGLBSA-N 383.083 4.703 0 40 GJAB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2)c1 992832 MHJHVOKKXUAJGE-UHFFFAOYSA-N 378.399 4.753 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 1329318 INRDNORDCCNMHG-GASCZTMLSA-N 380.517 4.507 0 40 GJAB CCCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C(C)(C)C)c(C)s1 1366722 NBLRQVBRWSOQNJ-UHFFFAOYSA-N 385.533 4.792 0 40 GJAB O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccccc1Cl 1387992 SACZGJSPHVEBEJ-UHFFFAOYSA-N 382.634 4.585 0 40 GJAB S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccc2)CC1 1406116 QUGNZHDLYWNOHJ-UHFFFAOYSA-N 389.524 4.998 0 40 GJAB COC(=O)c1ccc(COc2c(-c3ccco3)oc3ccc(C)cc3c2=O)cc1 1951975 FHHKNJZOCCZKOF-UHFFFAOYSA-N 390.391 4.727 0 40 GJAB COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1 3308709 WSXJYEVTDZZALQ-CYBMUJFWSA-N 383.831 4.686 0 40 GJAB CCCCCCc1cc2cc(C(N)=O)/c(=N/c3ccc(C)cc3)oc2cc1O 4077540 IEZAATGKDHZTFG-BZZOAKBMSA-N 378.472 4.901 0 40 GJAB COCCn1c(SCc2ccc(F)cc2)nnc1-c1c[nH]c2ccccc12 4138672 ZZNLNIJVMRLIGG-UHFFFAOYSA-N 382.464 4.504 0 40 GJAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)c1 4703935 AQYUVNSERLBIMS-MRXNPFEDSA-N 397.544 4.591 0 40 GJAB CCCCC(=O)Nc1c([C@H](O)c2ccccc2)sc2nc(C)cc(COC)c12 4709896 WGZGYNGPTVQVAH-HXUWFJFHSA-N 398.528 4.962 0 40 GJAB CCCCN(CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc(OC)c(OC)c1 4832251 LKKQDTJKOBODFM-UHFFFAOYSA-N 398.547 4.870 0 40 GJAB COc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)cc1 5252457 DQCYRRJRMSZYJA-UHFFFAOYSA-N 391.496 4.642 0 40 GJAB O=C1N(Cc2cccs2)c2ccc(Cl)cc2[C@]1(O)c1c[nH]c2ccccc12 5323015 MGXSLYXUYSMHDT-NRFANRHFSA-N 394.883 4.666 0 40 GJAB COc1ccc(Oc2cc(C[S@@](=O)c3ccc(Cl)cc3)nc(C)n2)cc1 5423497 WMHXTLKDPNZPLY-SANMLTNESA-N 388.876 4.547 0 40 GJAB O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)NC1CCCCCC1 5504639 XIARBUGWSAKNQG-UHFFFAOYSA-N 378.683 4.643 0 40 GJAB O=C(OCc1cc(Cl)cc2c1OCOC2)C1(c2ccc(F)cc2)CCCC1 5936058 XGEDFMKXRIOEDB-UHFFFAOYSA-N 390.838 4.901 0 40 GJAB CCCCNc1nnc(SCc2cc(=O)oc3c(C)c(C)ccc23)s1 5937835 ISMSYRRLMSVQON-UHFFFAOYSA-N 375.519 4.766 0 40 GJAB CCOc1cc(C[C@@H]2SC(=O)N(CC)C2=O)ccc1OCc1ccc(C)cc1 6952430 KROFNDMSCURNAN-FQEVSTJZSA-N 399.512 4.599 0 40 GJAB CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1C1CC1 7618261 ZYGSTXXKRCABCU-LJQANCHMSA-N 392.528 4.956 0 40 GJAB O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)N1CCCCCC1 8862997 ZEOPNNHQSDPKMI-IBGZPJMESA-N 392.952 4.514 0 40 GJAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)cc2)cc1 8991842 WAUWYFQPMKPVCF-OAQYLSRUSA-N 375.403 4.555 0 40 GJAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 9019415 CWMDJZZICYNBIR-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB CCCc1n[nH]c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)n1 9058050 KQHIFVLCMALXHL-LJQANCHMSA-N 396.516 4.546 0 40 GJAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 9196656 RECBWLAAQOQUQX-UHFFFAOYSA-N 394.581 4.508 0 40 GJAB C[C@@H](c1cccs1)N(C)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 9390295 IAEYDAUTUOTFFN-NSHDSACASA-N 392.937 4.698 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1F 10860382 FYEPDJBRSZKIEK-UHFFFAOYSA-N 392.146 4.625 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1OC(F)F 12774445 KRKMPDRRICGRAO-UHFFFAOYSA-N 397.303 4.745 0 40 GJAB O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 14169822 PWUZWJKYWFDKKQ-UHFFFAOYSA-N 381.867 4.969 0 40 GJAB CC[C@H]1c2ccsc2CCN1C(=O)COc1ccc(Br)cc1F 16778717 BCEQWFKFUOVKKN-AWEZNQCLSA-N 398.297 4.565 0 40 GJAB C[C@H]1CCCCN1C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 17245211 QMKMVZFOTCWUDB-LMXQCQDWSA-N 383.576 4.769 0 40 GJAB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c2ccccc2n1 19569430 PTJUYAGDIDCVNM-HSZRJFAPSA-N 396.494 4.595 0 40 GJAB Cc1ncsc1C(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C 19713498 RBSWIYNODQUKIL-IPJJNNNSSA-N 383.561 4.672 0 40 GJAB Cc1c(-c2cc(C(=O)Nc3nc(C(C)C)cs3)c3ccccc3n2)cnn1C 19716480 MNNFJXUTZFHWQQ-UHFFFAOYSA-N 391.500 4.776 0 40 GJAB CCn1cc(-c2cc(C(=O)Nc3nc(-c4cc(C)sc4C)cs3)no2)cn1 19719246 OLNCIZXRYNWYCY-UHFFFAOYSA-N 399.501 4.612 0 40 GJAB COc1cc([C@@H]2O[C@@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)cc(OC)c1OC 20228291 LOKJUZWMHIWIBX-SRVWHDFXSA-N 398.455 4.587 0 40 GJAB O=C(Nc1ccc2c(c1)COC2=O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 20436247 LIFVSVZZHNSPDZ-UHFFFAOYSA-N 377.440 4.670 0 40 GJAB COc1cc(CN[C@H](C)[C@H](O)c2ccccc2)ccc1OCCc1ccccc1 22107684 UNECLYAUMKSQFN-CLOONOSVSA-N 391.511 4.528 0 40 GJAB Cc1ccc(-c2c(C)sc3nc(CN(C)Cc4ccccc4)[nH]c(=O)c23)cc1 23749566 FTYPSKJMIQVACQ-UHFFFAOYSA-N 389.524 4.900 0 40 GJAB Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1C 27583163 ZBVRADBOLJECQT-AWEZNQCLSA-N 385.851 4.721 0 40 GJAB Cc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 28291839 UGJKXHUHBVXIFU-XMMPIXPASA-N 394.559 4.841 0 40 GJAB O=C(Nc1nc(-c2cccc(Cl)c2)cs1)c1cccnc1N1CCCC1 32577968 UQRWLEDJGUICRD-UHFFFAOYSA-N 384.892 4.711 0 40 GJAB COc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1Br 32825906 WUHQEQHCLYIBBT-UHFFFAOYSA-N 381.320 4.937 0 40 GJAB Cc1ccc(-c2nc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)sc2C)c(C)c1 35897674 BRUNFBNOKYQHBL-ATLSCFEFSA-N 396.512 4.587 0 40 GJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cn2ccnc2)cc1 38850606 MFAPMKPYUXYBHV-UHFFFAOYSA-N 379.769 4.856 0 40 GJAB Cc1cccc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1 39761200 JULZYDPWQTWOPH-UHFFFAOYSA-N 387.321 4.608 0 40 GJAB CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1 41096865 CYKHUYWJWQXESX-UHFFFAOYSA-N 375.877 4.953 0 40 GJAB NNc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3)c(Cl)c2s1 45891568 GRECBDIVCDBHCX-UHFFFAOYSA-N 387.679 4.794 0 40 GJAB C[C@@H]1CCCC[C@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 71084644 YGBJSIBWMAKQPS-IQMFZBJNSA-N 379.456 4.559 0 40 GJAB CC[C@H](NC(C)=O)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 71405431 JINVBWLXRGBBEH-INIZCTEOSA-N 376.287 4.979 0 40 GJAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccc(C)c(C)c4)ncnc3c2c1 72331985 MXDNNQYBEKQBOB-UHFFFAOYSA-N 376.485 4.767 0 40 GJAB Cc1ccc(OCc2nnc(SCCN3CCCc4ccccc43)o2)cc1 79094972 UBLFPYONLDLJHF-UHFFFAOYSA-N 381.501 4.502 0 40 GJAB CCSc1ccccc1C(=O)N1CCC(Oc2ncccc2Cl)CC1 96096872 JGIKFAJXVSVABT-UHFFFAOYSA-N 376.909 4.531 0 40 GJAB O=S(=O)(NCCSCc1ccc(Cl)cc1)c1ccc2ccccc2c1 107604813 ZDXRAWSBEAEKPG-UHFFFAOYSA-N 391.945 4.705 0 40 GJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1OC 197184875 DRMWSOVOERZZOW-UCCCNAJCSA-N 379.456 4.699 0 40 GJAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C 223380071 IBTMIBYGPWLORS-YADHBBJMSA-N 390.556 4.693 0 40 GJAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(OC)c(OC)c1 224695502 QHJLKAGOTXPYAN-UZLBHIALSA-N 397.515 4.617 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 224968996 QVUPASIEDKROBI-OAQYLSRUSA-N 394.559 4.851 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(SCC(C)C)s2)c1 225164188 FISFHPBKMPZZQH-UHFFFAOYSA-N 379.551 4.736 0 40 GJAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225730548 WMGNRTUKRYXMPA-PWHSHALESA-N 390.568 4.577 0 40 GJAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(Cl)c(Cl)c1 225799739 JFGMPCMTMLNFEE-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB CCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C(=O)OC 225831655 DWFYZTIEODDVSU-AOMKIAJQSA-N 391.508 4.576 0 40 GJAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OCC)c2)CCCC1 225849801 GDTFVUUKVSGKIF-MRXNPFEDSA-N 391.508 4.719 0 40 GJAB CC[C@H](C(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1)c1ccccc1 227631919 RYEIPTWOUQBGAZ-NJYVYQBISA-N 398.478 4.995 0 40 GJAB CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 260759586 BXCQTOJTKKQVJU-UWJYYQICSA-N 384.951 4.992 0 40 GJAB COc1ccc(-c2csc(NC(=O)[C@@H](C)Nc3cccc4cc[nH]c34)n2)cc1 547806723 DJLLVWNVZDCXOK-CYBMUJFWSA-N 392.484 4.739 0 40 GJAB CC[C@H]1CN(Cc2nc3cc(C(=O)O)ccc3n2CC)CC[C@H]1c1ccccc1 571768804 OLPZHBFBHGKOHO-FXAWDEMLSA-N 391.515 4.770 0 40 GJAB C[C@@H](NC(=O)N[C@H]1CCCCc2cc(Br)ccc21)c1cscn1 661639955 WVJDERCSGFQVCX-ABAIWWIYSA-N 394.338 4.734 0 40 GJAB O=S(=O)(NCc1cc(-c2ccsc2)cs1)c1ccc(Cl)s1 1775969708 HKZMVURZCPKPNA-UHFFFAOYSA-N 375.949 4.670 0 40 GJAB COc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(Cl)nc2c1 1249061 WNUCBBSWWASGKB-OAQYLSRUSA-N 393.874 4.903 0 40 GJAB CCCCOc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccccc1C2(C)C 2110745 YRTBHNTXONKCLH-YVIRBKRRSA-N 390.527 4.893 0 40 GJAB biogenic COc1cccc(CNc2nc3c(-c4cccc(F)c4)nnn3c3ccccc23)c1 2698640 SAWMTJHXSDTQTF-UHFFFAOYSA-N 399.429 4.704 0 40 GJAB CC(C)(C)c1ccc(C(=O)OCCOc2ccc(Br)cc2)cc1 3342216 UOVQLXIMLAUVCT-UHFFFAOYSA-N 377.278 4.982 0 40 GJAB COc1cc(Br)c(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1OC 3570239 AGLXJANXLRMNGK-LFYBBSHMSA-N 394.652 4.612 0 40 GJAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)C12CC3CC(CC(C3)C1)C2 4088783 NPFQAVVQMVYWDP-UHFFFAOYSA-N 397.519 4.913 0 40 GJAB Cc1cccc(C)c1-n1nnnc1C(C)(C)Nc1ccc(Cl)c(Cl)c1 4154952 XWIUBAHEOWFOEZ-UHFFFAOYSA-N 376.291 4.933 0 40 GJAB COCn1ccnc1[C@@](O)(c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 4631800 IDNFQOVTGDILQV-QFIPXVFZSA-N 384.907 4.722 0 40 GJAB Nc1nc2n(n1)[C@H](c1c(Cl)cccc1Cl)C[C@H](c1ccccc1Cl)N2 4690549 WPOGOLDKHGQWHK-KGLIPLIRSA-N 394.693 4.967 0 40 GJAB CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 4731235 MCTDXPDDZLFJHR-UMCMBGNQSA-N 382.500 4.941 0 40 GJAB endogenous,in-man CCc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 4832664 ASXBIRAHFCIYDM-MXXWWZHRSA-N 379.459 4.646 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)c1 5083632 YMVNYDIUUWKUPK-UHFFFAOYSA-N 393.468 4.641 0 40 GJAB O=S(=O)(c1ccccc1)c1nc(Nc2ccc(F)cc2F)sc1Cl 6588623 PWLRUHJPGRBQDR-UHFFFAOYSA-N 386.832 4.651 0 40 GJAB Cc1nc(C)c(C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)s1 6650555 CZTGXGIXRCVPAX-UHFFFAOYSA-N 390.464 4.948 0 40 GJAB COc1cc(CNCC(C)C)cc(Br)c1OCc1ccccc1F 6883538 FPVNWIOGEWRMKY-UHFFFAOYSA-N 396.300 4.921 0 40 GJAB Cc1ccc(C)c(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c1 6947805 AQLLBJNLPMAQIL-UHFFFAOYSA-N 396.874 4.550 0 40 GJAB Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)s1 7654924 GRRVRSGIXGMQEB-CQSZACIVSA-N 384.530 4.734 0 40 GJAB O=C(COc1ccccc1Cc1ccccc1)Nc1ccnn1C1CCCC1 7671108 ZJTGZTHUEGZIDS-UHFFFAOYSA-N 375.472 4.607 0 40 GJAB CC(C)[C@H](NC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1nc2ccccc2[nH]1 7987689 CCCAUUWRHSSPTL-QFIPXVFZSA-N 399.498 4.753 0 40 GJAB COc1cccc(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)c1 8023443 VKRQXUAVUAVJEY-UHFFFAOYSA-N 395.528 4.900 0 40 GJAB COc1cccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 8115188 NUMAZWIXGBCVMR-YSESTWPTSA-N 375.493 4.944 0 40 GJAB Cc1cc(OCC(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)ccc1Cl 8336242 IHISLGFVMXFSIS-UHFFFAOYSA-N 397.906 4.607 0 40 GJAB COc1ccc(CCNCc2cccc(OC)c2OCc2ccc(F)cc2)cc1 8474507 JBKPSWHCOWJZDQ-UHFFFAOYSA-N 395.474 4.754 0 40 GJAB N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(=O)O 8637970 BSTXYLCINUXYQF-FQEVSTJZSA-N 397.927 4.777 0 40 GJAB in-vitro C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O 8887410 KOLFEUDPYXYQBJ-NRFANRHFSA-N 398.384 4.826 0 40 GJAB C[C@H]1CSC(N(C(=O)CSc2ccccc2)c2ccc(Cl)cc2)=N1 9166567 ZJHJUXNTGGPSJP-ZDUSSCGKSA-N 376.934 4.957 0 40 GJAB CCc1ccc2c(c1)c(C)c(C(=O)NCCc1c[nH]c3ccc(OC)cc13)n2C 9264120 PZSUWHAJKXGDFO-UHFFFAOYSA-N 389.499 4.512 0 40 GJAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1cccc(-c2nnnn2C2CC2)c1 9709475 HOBQZSHWJPDVAI-UHFFFAOYSA-N 399.454 4.506 0 40 GJAB CC1(C)CC(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)CC(C)(C)N1 10818392 MYMZNVAYMGTJIA-UHFFFAOYSA-N 377.488 4.534 0 40 GJAB C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1nc2ccccc2s1 12000706 XVOYZXHIMSPCHW-CYBMUJFWSA-N 392.509 4.873 0 40 GJAB O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 12148544 XPYKLGHEYWABPH-PMACEKPBSA-N 399.277 4.598 0 40 GJAB COc1ccc2nc(SCc3c(C(=O)O)sc4cccc(F)c34)[nH]c2c1 12558619 WTZHHSCJKLPUKA-UHFFFAOYSA-N 388.445 4.916 0 40 GJAB COc1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OC(F)F 12782551 HVUOELINDOAWGL-CSNVJCEJSA-N 379.447 4.631 0 40 GJAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3o2)CC1 12820137 STEPRARXALCIHD-MRXNPFEDSA-N 389.499 4.523 0 40 GJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1Cl 13634757 NGGFNMWNEVTUJK-QGZVFWFLSA-N 388.254 4.805 0 40 GJAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2cccc3ccccc23)c1 14404560 KYBLBVFVXQRFQB-UHFFFAOYSA-N 384.439 4.684 0 40 GJAB COc1ccc(-c2csc(NC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 15318781 MFJBBFCLTYZSLY-UHFFFAOYSA-N 388.876 4.798 0 40 GJAB C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 18109327 IHUYTTHZSNPHDY-GOSISDBHSA-N 387.479 4.857 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1Cl 20111819 FMXFKDHASHGAIX-SFHVURJKSA-N 381.900 4.686 0 40 GJAB CCCCN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccccc1 20989129 WYCJKFGEZIUQQU-UHFFFAOYSA-N 389.499 4.570 0 40 GJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(NC(=O)C2CC2)c1 21046845 FPELSWMFLMZNIZ-UHFFFAOYSA-N 392.455 4.719 0 40 GJAB CN(Cc1ccc(F)cc1)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 22024817 IYFIVEKJGKGGOL-UHFFFAOYSA-N 397.450 4.562 0 40 GJAB CCOc1ccc(OCC(=O)OCc2cc(-c3cc4ccccc4o3)on2)cc1 22769031 NGEXJKLIKSKKJH-UHFFFAOYSA-N 393.395 4.609 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(Br)cc1 27087723 FNYHNYJHJDHXCP-UHFFFAOYSA-N 385.261 4.685 0 40 GJAB CCN(CC)[C@H](CNC(=O)c1ccc(OC(C)C)cc1)c1ccccc1Cl 27579711 GPTFPEOBTNTBFD-OAQYLSRUSA-N 388.939 4.940 0 40 GJAB Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3cc(C)c(C)cc3o2)o1 27740541 MEMTWCTXZVMBTM-UHFFFAOYSA-N 391.423 4.747 0 40 GJAB Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2Br)c2ccccc2n1 27974911 SRKQUMXSTSCALS-CYBMUJFWSA-N 385.261 4.712 0 40 GJAB COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 39766574 FYBPPJMFJKTACL-UHFFFAOYSA-N 393.314 4.853 0 40 GJAB O=C(Cn1c(Cc2ccccc2Cl)nc2ccccc21)Nc1ccccc1 40301352 RAHDJWLODARPCM-UHFFFAOYSA-N 375.859 4.919 0 40 GJAB O=C(CCC(=O)N1CCC[C@@H]1c1ccc(Br)cc1)c1cccs1 48374369 ORTVQPNGIXLVKB-OAHLLOKOSA-N 392.318 4.837 0 40 GJAB NC(=O)c1ccc(-c2nc(COc3ccccc3C(F)(F)F)cs2)cc1 52891252 ZUUNOISTTFHENR-UHFFFAOYSA-N 378.375 4.507 0 40 GJAB COc1ccccc1CCC(=O)N1CCC[C@H]1c1cccc(Br)c1 55785436 ATQBLDFBERCDHO-SFHVURJKSA-N 388.305 4.754 0 40 GJAB O=C(Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1)c1ccncc1 69519257 OFWNUTMDDBCUPF-LJQANCHMSA-N 392.484 4.764 0 40 GJAB O=C(Nc1ccc(F)cc1Br)N1CC(Cc2ccccc2Cl)C1 79019601 NEQJICCMVBZYLD-UHFFFAOYSA-N 397.675 4.948 0 40 GJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccccc1 82086721 ISQNHDOEGZMOPP-NRFANRHFSA-N 377.488 4.579 0 40 GJAB O=S(=O)(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccs1 84501831 RNBURZOEUIYIRM-QGZVFWFLSA-N 381.881 4.609 0 40 GJAB O=C(NCCCn1ccnc1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 90583550 FKRBUQBKXWUJFF-UHFFFAOYSA-N 388.393 4.781 0 40 GJAB Cc1cc(C)c(C)c(OC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1 95361035 RUAUSTYGPHVTPK-KRWDZBQOSA-N 384.451 4.600 0 40 GJAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(Br)cc1F 96323981 GJMBSQQIDKWTQG-UHFFFAOYSA-N 386.224 4.606 0 40 GJAB O=C(CCC(=O)N1CCS[C@H](c2cc(F)ccc2F)CC1)c1ccccc1 219308391 BOCTUOQYQVUISE-FQEVSTJZSA-N 389.467 4.635 0 40 GJAB COc1ccc(CCCNC(=O)CCCSc2ccc(Cl)cc2)cc1 222690617 BHOGYNSSCJGHCM-UHFFFAOYSA-N 377.937 4.970 0 40 GJAB CCOC(=O)c1cc(NC(=O)COc2ccc3ccccc3c2)ccc1Cl 222836487 IRVMVYOPAGPEPJ-UHFFFAOYSA-N 383.831 4.687 0 40 GJAB CC(C)CSc1nnc(NC(=O)CCCOc2ccc(Cl)cc2)s1 224749219 UKOLCFBNYCPMDO-UHFFFAOYSA-N 385.942 4.737 0 40 GJAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 225660472 IYZHNADIOZNEDD-INIZCTEOSA-N 384.545 4.906 0 40 GJAB Cc1cc(NC(=S)NC2(c3ccccc3)CCCC2)ccc1N1CCCC1=O 225869404 IKNBGSBJGSJTFY-UHFFFAOYSA-N 393.556 4.878 0 40 GJAB COc1cc(CO)cc(CSC)c1OC(=O)c1ccc(Cl)cc1Cl 226288842 RHHWSZFULHKDEF-UHFFFAOYSA-N 387.284 4.577 0 40 GJAB CCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccccc1 408560422 CQCSSZSNIIRWIB-FCQUAONHSA-N 396.512 4.557 0 40 GJAB Cc1[nH]c2ccc(CNC(=O)Nc3ccc(Oc4cccnc4)nc3)cc2c1C 516266170 QLNXDGSQPLGVTE-UHFFFAOYSA-N 387.443 4.689 0 40 GJAB O=C(O)c1ccc(=O)n(C[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 585260822 KAVBOIMFSMBXNX-SFHVURJKSA-N 392.842 4.513 0 40 GJAB Cc1ccc(NC(=O)N2CCCN(c3cccc(Cl)c3C)CC2)cc1F 1197429289 YPAZLMNPHODSGF-UHFFFAOYSA-N 375.875 4.840 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)C2(c3ccccc3)CC2)CN1c1cccc(F)c1 1615121138 MTJDIJSXSNJOEP-DEOSSOPVSA-N 392.518 4.907 0 40 GJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(C)cc1 953146 OZYVZWWEIZPWLB-UHFFFAOYSA-N 395.480 4.918 0 40 GJAB O=S1(=O)c2ccccc2N[C@H](c2ccccc2Cl)N1Cc1ccccc1 1098841 SICUWYLGUHSVTH-FQEVSTJZSA-N 384.888 4.655 0 40 GJAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1c(F)cccc1F 3234526 IBRJNYAWBMBGSL-UHFFFAOYSA-N 382.366 4.504 0 40 GJAB O=C(OCC(=O)c1ccccc1Br)c1ccc(C(F)(F)F)cc1 3237483 KLXLEDQVTJFFDF-UHFFFAOYSA-N 387.151 4.508 0 40 GJAB CCN(CC)C(=O)c1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1 3340111 CHYWYGZHVWOSNO-UHFFFAOYSA-N 380.517 4.796 0 40 GJAB O=C(CCC(=O)c1ccc(Cl)cc1)NCC1(N2CCCCC2)CCCCC1 3359343 MDGSPXDWXAGKBJ-UHFFFAOYSA-N 390.955 4.608 0 40 GJAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1nc2ccccc2s1 3398487 HSOZKNRRZPGAHO-UHFFFAOYSA-N 383.860 4.801 0 40 GJAB COc1ccc2nc(SCC(=O)Nc3ccccc3-c3ccccc3)[nH]c2c1 4252258 MEEAFMADTBMRAT-UHFFFAOYSA-N 389.480 4.969 0 40 GJAB CCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1nnc(-c2ccc(OC)cc2)s1 4881015 OKOVFEIBOLWMCO-UHFFFAOYSA-N 397.544 4.783 0 40 GJAB Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 4966928 UQIDHVJBSVCJDL-UHFFFAOYSA-N 378.516 4.652 0 40 GJAB CCC(=O)Nc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 6601777 GMOPVJXTBOGZBL-UHFFFAOYSA-N 379.485 4.648 0 40 GJAB COc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342862 TYXTVSWLCSGLHE-UNOMPAQXSA-N 376.437 4.943 0 40 GJAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1cc(Cl)ccc1F 7581027 OZVRNVKXZJULGN-UHFFFAOYSA-N 378.856 4.775 0 40 GJAB C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)NC1CCCCCC1 8255336 UYFYVCCQUHMDNJ-LBPRGKRZSA-N 379.913 4.710 0 40 GJAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1C(F)(F)F 8433647 QKPLEOHXAUVONM-UHFFFAOYSA-N 392.160 4.808 0 40 GJAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(C(C)C)cccc3s2)no1 9207031 NNBLHYIRHNUAJV-CQSZACIVSA-N 385.489 4.542 0 40 GJAB O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1ccccc1Br 9420182 LVJQIZZONXKPOM-UHFFFAOYSA-N 398.260 4.630 0 40 GJAB CC(C)[C@H](NC(=O)N(C)[C@H](C)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 9793159 GUQACAHXRLODMZ-VFNWGFHPSA-N 386.467 4.697 0 40 GJAB COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)cc1 10156648 MYMHUTIHHGNUAR-OAHLLOKOSA-N 377.419 4.589 0 40 GJAB O=C(Cc1csc(-c2cccs2)n1)NCc1ccccc1OC(F)(F)F 10996661 AUCBXDRALJNCES-UHFFFAOYSA-N 398.431 4.629 0 40 GJAB Cc1cccc(NC(=O)N(Cc2ccccc2C)c2nnc3n2CCCCC3)c1 16769854 JBJNICYYLSTEKO-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB CC1=C(C(=O)OC(C)C)[C@@H](c2c[nH]c3ccccc23)n2c(nc3ccccc32)N1 17078854 OYOCLBFBRGWRNV-OAQYLSRUSA-N 386.455 4.758 0 40 GJAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)c(OC)c1 17120950 ZWUIETQQDJDIIB-UHFFFAOYSA-N 395.850 4.538 0 40 GJAB Cc1ccc(/C=C\C(=O)OCCCCOC(=O)/C=C\c2ccc(C)cc2)cc1 17381173 DDVVHQDKZTUZSV-VMNXYWKNSA-N 378.468 4.897 0 40 GJAB CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1C(F)(F)F 19527220 NPYZBCWXTZPLCG-IBGZPJMESA-N 377.454 4.587 0 40 GJAB COc1cccc(-n2ccnc2SCc2cc(=O)oc3cc(C)c(C)cc23)c1 23050673 SWGXEHHPLRDLEL-UHFFFAOYSA-N 392.480 4.896 0 40 GJAB COc1ccc(Cn2nccc2NC(=O)c2oc3ccc(C)cc3c2C)cc1 28580681 JVRNJQLPPFOEKK-UHFFFAOYSA-N 375.428 4.555 0 40 GJAB CN(C(=O)Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCCc2ccccc21 29258782 DZRHNNZLEFKGKK-LJQANCHMSA-N 385.891 4.580 0 40 GJAB O=C(N[C@H](c1ccccc1)C1CCCCC1)c1cccc(CN2CCCC2=O)c1 31798652 URTYGEURWBDDKL-XMMPIXPASA-N 390.527 4.860 0 40 GJAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(Cl)cc1F 32817199 YXNWICFJWNYPCV-UHFFFAOYSA-N 383.732 4.936 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38849382 LCWMETPBAOVELL-HNNXBMFYSA-N 393.314 4.853 0 40 GJAB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1O 43080661 VCHBRHLRWDWEKH-LFYBBSHMSA-N 377.227 4.562 0 40 GJAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCC[C@H]3c3cc(C)no3)s2)cc1 48301456 MDVZUTUAFRCFGW-KRWDZBQOSA-N 397.500 4.613 0 40 GJAB O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 49546305 YYAPXHCQADPERI-NRFANRHFSA-N 389.499 4.515 0 40 GJAB CC(C)N(Cc1ccccc1)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 59855497 CKZNUSROXFQCDH-GOSISDBHSA-N 388.920 4.580 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1nnc(C2CC2)s1 64867483 OQQWBFRQHDHTTR-UHFFFAOYSA-N 376.894 4.753 0 40 GJAB Cc1ccc(-c2noc(-c3nn(-c4ccccc4C)c(=O)c4ccccc34)n2)cc1 64950180 SXFIUJARPQIYKJ-UHFFFAOYSA-N 394.434 4.720 0 40 GJAB Cc1ccccc1NC(=O)Cc1nc(CN(C)Cc2sccc2C)cs1 72274818 ZMZWYXURQWBPSD-UHFFFAOYSA-N 385.558 4.635 0 40 GJAB Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3cc(C)nc(-c4cccnc4)n3)n2)c1 79017562 WQAKRVMFTPVJOH-OAQYLSRUSA-N 396.498 4.887 0 40 GJAB C[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)N(C)Cc1cccc(F)c1 97555454 NPNMYOMMFAOOEP-INIZCTEOSA-N 398.478 4.716 0 40 GJAB Cc1cn(-c2ccccc2)nc1NC(=O)c1cc2ccccc2nc1N1CCCC1 106715135 USWZNDCQSWIPJT-UHFFFAOYSA-N 397.482 4.581 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)CC(C)(C)O2 219292462 ULSYYQGFSDLVFW-UGSOOPFHSA-N 389.879 4.535 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 222975936 PATSPJHZJQJVJJ-LEWJYISDSA-N 394.519 4.784 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)c1 225706205 XTFJDLALTPIIPA-SFHVURJKSA-N 389.495 4.980 0 40 GJAB Cc1cccc(-c2noc(CCC(=O)NCc3ccc(Cl)cc3Cl)n2)c1 225813325 PHPOVGUNIUUUBT-UHFFFAOYSA-N 390.270 4.601 0 40 GJAB O=C(NCc1nc(-c2ccccc2Cl)no1)C1(c2ccccc2)CCCC1 225846291 WQEMHUAQDKEFOY-UHFFFAOYSA-N 381.863 4.518 0 40 GJAB Cc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(Br)c1O 226243260 ILGQGTYXEGWDFB-UHFFFAOYSA-N 398.684 4.751 0 40 GJAB Cc1nc(Nc2cncc(C3CCN(C[C@H]4CC=CCC4)CC3)n2)sc1C 257228838 FVMALZHLCHRTGT-KRWDZBQOSA-N 383.565 4.829 0 40 GJAB CCN1CC2(CCC(N(C)C[C@H]3CC=CCC3)CC2)Oc2ccccc2C1=O 257312695 UPEHTLABULOEEQ-HDJSMCDHSA-N 382.548 4.511 0 40 GJAB COc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2Cl)cc1 408842221 NXHOQIMBBZFUDF-XSFVSMFZSA-N 389.842 4.578 0 40 GJAB CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1Cl 409015279 ZGZXLOJFEYAJSO-HIXWQLQUSA-N 384.863 4.610 0 40 GJAB CCOc1cc(CNc2ccc(C)cc2C)cc(I)c1O 409110818 AFWZITZFRVUZSW-UHFFFAOYSA-N 397.256 4.624 0 40 GJAB CCCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)cc1 409368564 CCVYAZLJJUEXOQ-NEUULRRLSA-N 399.490 4.871 0 40 GJAB CCCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(COc2ccccc2)n1 585264917 BOTBYBQRPPILKK-UHFFFAOYSA-N 393.439 4.823 0 40 GJAB O=C(/C=C/c1ccccc1)N1CCC[C@@H]1c1csc(Nc2ccccn2)n1 585293265 YVRQFCAWZDQCNM-IENJSVCTSA-N 376.485 4.659 0 40 GJAB CCCC(=O)Nc1ccc2nc(CCC)n(Cc3cccc(Cl)c3)c(=O)c2c1 930692 JENBRAKLKXLDGL-UHFFFAOYSA-N 397.906 4.789 0 40 GJAB COc1ccccc1Nc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2 2145195 CXHYWGIDOVVIGC-UHFFFAOYSA-N 382.419 4.502 0 40 GJAB biogenic CCOc1c(Cl)cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1OC 4508777 YSRVRAGBQPSQJA-OQLLNIDSSA-N 392.238 4.745 0 40 GJAB COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)nc3ccccn23)cc1 4848427 XNGCMNMUHPCVGQ-UHFFFAOYSA-N 389.455 4.639 0 40 GJAB Cc1cccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1C 4856929 ZHKXBCYLMOLXPN-AYHJJNSGSA-N 385.602 4.847 0 40 GJAB CCc1c(C)sc2nc(C)nc(SCC(=O)Nc3cccc(OC)c3)c12 4888812 UBQZURQHCDLQNU-UHFFFAOYSA-N 387.530 4.610 0 40 GJAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 5136294 IGPXFJCGVUCPBL-UHFFFAOYSA-N 376.481 4.902 0 40 GJAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1cccc(F)c1 5151033 BCKNYLRTWVRYAH-FJIJXJHWSA-N 397.490 4.733 0 40 GJAB CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc12 5516098 OIVYRAGINQETFI-UHFFFAOYSA-N 377.849 4.706 0 40 GJAB Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCN(c2ccccc2)CC1 5721549 AYMDCNPLVAWAEY-RUZDIDTESA-N 382.511 4.783 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 5841796 GXEYYBGEHNCVML-UHFFFAOYSA-N 381.259 4.849 0 40 GJAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)sc2c1 5916366 ZDDQJWUIGNUEQV-UHFFFAOYSA-N 399.541 4.992 0 40 GJAB Cc1sc2ncn(CC(=O)c3ccc4c(c3)-c3ccccc3C4)c(=O)c2c1C 6110878 DMWCDIJJKKQACS-UHFFFAOYSA-N 386.476 4.529 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn23)c1 6971073 KJRIXYJGWMTPKB-UHFFFAOYSA-N 387.439 4.579 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC1CC1 7597009 QSRUZZLNDCBGJY-UHFFFAOYSA-N 384.479 4.740 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)cc1Cl 7928624 GVTULPLDDLKDFK-KRWDZBQOSA-N 379.843 4.760 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 8497623 LJNYCQSKRALFTK-IBGZPJMESA-N 388.895 4.522 0 40 GJAB O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 9063288 BPTYPDINAPIDDU-UHFFFAOYSA-N 377.315 4.522 0 40 GJAB COc1cccc(C[C@@]2(CO)CCCN(Cc3cc4ccccc4s3)C2)c1 12763383 KAZDKPJHCHCZEP-QHCPKHFHSA-N 381.541 4.727 0 40 GJAB Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 12905205 QUMDTNAUOIXBJZ-UHFFFAOYSA-N 394.858 4.809 0 40 GJAB Cc1ccc(-c2nn(CN(C)Cc3nc4ccccc4s3)c(=S)n2C)cc1 12984723 NGEAMFWOUDWYTN-UHFFFAOYSA-N 395.557 4.626 0 40 GJAB CCCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1 13634677 SYKJUTGNBTXVMF-OAQYLSRUSA-N 391.471 4.677 0 40 GJAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(Cl)c(Cl)c2)n2nc(C)nc2N1 14163436 URKKLJYSBMABJI-INIZCTEOSA-N 395.290 4.526 0 40 GJAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 14398265 YVOZMTRVPMSEBT-MRXNPFEDSA-N 398.684 4.907 0 40 GJAB CCOC(=O)c1c(C(=O)OCC)c(Oc2ccccc2)c2ccccc2c1O 16682992 SIDBWTWYJNPCCB-UHFFFAOYSA-N 380.396 4.691 0 40 GJAB O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3)CC[C@@H]21 19372279 KWIOANJRZMRODI-VABKMULXSA-N 394.584 4.755 0 40 GJAB CN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)[C@H]1CCc2ccccc21 22761337 PGNABBKFPMDLRK-INIZCTEOSA-N 382.813 4.917 0 40 GJAB O=C(CCn1cnc2ccccc21)N1CCc2sccc2[C@@H]1c1cccs1 24988003 NMAFYOXHPJYPKN-OAQYLSRUSA-N 393.537 4.724 0 40 GJAB Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)o1 27934962 GXBQOQHFEQTLQS-UHFFFAOYSA-N 389.377 4.593 0 40 GJAB Cc1ccc(C)c(NC(=O)CSCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 28183521 ZHRCDDYCFNEERU-UHFFFAOYSA-N 397.327 4.921 0 40 GJAB C[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1cccnc1Cl 28368310 VNTODZMJVLVUGB-ZDUSSCGKSA-N 387.867 4.606 0 40 GJAB C[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)c1cccc(Br)c1 29124334 JIBASDPFVPYUNT-CYBMUJFWSA-N 386.293 4.526 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 32820690 YRCBOWPJKNATCY-OAQYLSRUSA-N 378.472 4.779 0 40 GJAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 33661055 VUPOFQHXECKPIB-BVYCBKJFSA-N 386.407 4.764 0 40 GJAB C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1cccc(NC(=O)c2ccccc2)c1 36393067 HEAGGLYUPSUQHT-QGZVFWFLSA-N 397.478 4.840 0 40 GJAB O=c1c2scc(-c3ccc(Br)cc3)c2ncn1Cc1ccccc1 38653517 PISZLKWOTQQDFW-UHFFFAOYSA-N 397.297 4.936 0 40 GJAB O=C(NC1CC1)c1ccc(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1 40150617 PEBBERSXKVNRLY-IBGZPJMESA-N 383.879 4.601 0 40 GJAB Cc1ccc(Sc2ccc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2)cc1C 48288172 NDTMPTKFDSYKKL-RTWAWAEBSA-N 377.513 4.930 0 40 GJAB CC(C)CCO[C@@H](C)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 58049867 IEDDGRJVKCHFRI-IBGZPJMESA-N 391.515 4.607 0 40 GJAB O=C(c1occc1-c1ccccc1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 58167668 IELYMZKOASUALH-UHFFFAOYSA-N 398.466 4.752 0 40 GJAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 58341093 WXVWPKHTVYSLTC-TZMCWYRMSA-N 379.378 4.553 0 40 GJAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Nc2cccc3ccccc23)cc1 89904829 XEZKLEQJEFTEFZ-VWNXMTODSA-N 390.483 4.752 0 40 GJAB COc1cc(NCc2csc(-c3ccc(F)cc3)n2)ncc1Br 97022675 KMORLPKRNXOWNJ-UHFFFAOYSA-N 394.269 4.727 0 40 GJAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]21 169690647 XNVKQUIGVYDPJL-OJXGSEEGSA-N 381.781 4.617 0 40 GJAB Cc1ccc(-c2noc(CN(C)C(=O)CCc3cccc4ccccc34)n2)cc1 222680033 LBRUFQKIYQZGGJ-UHFFFAOYSA-N 385.467 4.789 0 40 GJAB CCc1ccc(OCC(=O)NCc2cccc3ccccc23)c(Br)c1 222863337 IVFZEESTBYMKDR-UHFFFAOYSA-N 398.300 4.860 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 222988378 RFDMODPYLURYKP-NRFANRHFSA-N 382.504 4.629 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 223035338 YSOQYUHXJIJKFI-GOSISDBHSA-N 397.500 4.572 0 40 GJAB CCCc1ccc(OCCNC(=O)CSCc2ccccc2Cl)cc1 223403843 ZKCMAWKDYOZRLH-UHFFFAOYSA-N 377.937 4.721 0 40 GJAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1Cl 224947337 NCLGPXAHPMQQLS-MSOLQXFVSA-N 385.876 4.514 0 40 GJAB CC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(OC)c(C)c1 225740099 VZLUFIBEXQDQET-JOCHJYFZSA-N 398.522 4.622 0 40 GJAB COCCC(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2Cl)O[C@@H]2C[C@H](C)CC[C@H]21 257241453 HYBWCIKJJUMZMS-UFXVLNHOSA-N 397.918 4.657 0 40 GJAB Cc1cccnc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257334194 YEYUGQOLQPCALJ-SFHVURJKSA-N 381.863 4.600 0 40 GJAB CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1 408614685 GHPDQHGVTTXKPN-UHFFFAOYSA-N 388.467 4.576 0 40 GJAB COc1cc(/C=C\C(N)=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 409416278 YCCMFZOTDDKSSG-HYXAFXHYSA-N 386.662 4.733 0 40 GJAB Cc1cc(C)n(-c2ncnc3scc(-c4ccc(Br)cc4)c23)n1 707049 ADYLBGMEMMPRKY-UHFFFAOYSA-N 385.290 4.923 0 40 GJAB CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C)c(C)c4)nc3c2)c1 828066 XFWJGQNUEXOHJA-UHFFFAOYSA-N 386.455 4.688 0 40 GJAB CCOc1ccc(Br)cc1/C=C/C(=O)N1CCCc2ccccc21 941503 JUPNQRSUGLTLML-FMIVXFBMSA-N 386.289 4.840 0 40 GJAB Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCCCC3)o2)cc1 1422143 IRYJQWGLZNXAKQ-UHFFFAOYSA-N 396.512 4.863 0 40 GJAB O=C1c2ccccc2C(=O)N1c1ccc2c(c1)Cc1cc(Br)ccc1-2 1681527 YDWCLYUYHCWYBX-UHFFFAOYSA-N 390.236 4.821 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCCCC4)CN(c1ccc(F)cc1)CO2 2333590 MQMUPZYGCRDZIH-UHFFFAOYSA-N 379.431 4.866 0 40 GJAB O=C(CSc1nccn1-c1ccc(F)cc1)Nc1cccc2ccccc12 2723645 CUJNYMZEDDRYRF-UHFFFAOYSA-N 377.444 4.895 0 40 GJAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(C)c3)oc12 2951366 YRZVUZALTKNQEO-ATJXCDBQSA-N 391.452 4.691 0 40 GJAB O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1cccc2ccccc12 3309357 MAVBGPDUAHPXRQ-UHFFFAOYSA-N 395.842 4.638 0 40 GJAB COc1cc(C(=O)Nc2cc(C)ccc2C)ccc1OCc1c(C)noc1C 3448230 VXOLMSMPSUSWPD-UHFFFAOYSA-N 380.444 4.748 0 40 GJAB COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCc3ccccc3)cc1)NCC2 3847482 UABRBWMZIRBFFZ-HSZRJFAPSA-N 389.495 4.712 0 40 GJAB biogenic O=C(COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)c1ccccc1)c1ccc(Cl)cc1 4008973 WHUDPPDRXAQMEK-OVQGTLEDSA-N 396.870 4.611 0 40 GJAB COc1ccc(CNCC[C@@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)cc1 4073329 ZARVEZQRYMEMMI-JWQCQUIFSA-N 397.559 4.957 0 40 GJAB biogenic O=C(CCc1ccccc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4087641 QHZBQXXINYGCAE-UHFFFAOYSA-N 383.904 4.844 0 40 GJAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(Cl)cc3)sc2c1 4359514 OMDLAVOLVIEEIX-UHFFFAOYSA-N 387.936 4.857 0 40 GJAB O=C(Nc1cccc2ccccc12)OCCCN1CCN(c2ccccc2)CC1 4823079 CMBPFITZIWYKHP-UHFFFAOYSA-N 389.499 4.601 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)c1C 4860447 QFRLVHOBPISYDG-UHFFFAOYSA-N 398.532 4.850 0 40 GJAB COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)c1cccc(F)c1 4880652 STZZGOBIHTZZIH-UHFFFAOYSA-N 386.854 4.625 0 40 GJAB CSc1nsc(SCC(=O)N2c3ccccc3CCc3ccccc32)n1 4985228 DBZBBOLMHZEVIS-UHFFFAOYSA-N 399.566 4.816 0 40 GJAB CCCCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12 5097019 VZEZEHKJVWNSGN-UHFFFAOYSA-N 378.472 4.839 0 40 GJAB CC(C)/N=C1\S/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1C(C)C 6324878 LXWLXMRRAZPBRQ-FTIPTLOASA-N 375.513 4.515 0 40 GJAB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccccc1Cl 6348347 NYCLKBPIXQJDAO-BOPFTXTBSA-N 399.899 4.939 0 40 GJAB Cc1ccc(C)c(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c1 6609772 PRJQTMYZSYPQNO-UHFFFAOYSA-N 376.243 4.571 0 40 GJAB C[C@H]1c2cc3c(cc2CCN1C(=O)c1ccc(C(C)(C)C)cc1)OCCCO3 6662753 LJJPWPFWDDPZJZ-INIZCTEOSA-N 379.500 4.905 0 40 GJAB CCCn1c(C)cc(-c2csc(NC(=O)COc3ccccc3F)n2)c1C 6947960 GFSXNSBIUHXSDS-UHFFFAOYSA-N 387.480 4.795 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1cc(Cl)ccc1OCc1ccccc1 7687526 WSSVKMNZWXUBLV-UHFFFAOYSA-N 395.842 4.578 0 40 GJAB CCOCCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 8253160 XWZVVKTYUXIWDD-UHFFFAOYSA-N 396.300 4.683 0 40 GJAB CCCSc1nc2scc(-c3ccccc3Cl)c2c(=O)n1CCOC 9141103 CHVHNQMGNOSDQZ-UHFFFAOYSA-N 394.949 4.927 0 40 GJAB CC(C)(C)c1nnc2sc(CCn3c4ccccc4c4ccccc43)nn12 9422060 HTAFXLUEDXVTDC-UHFFFAOYSA-N 375.501 4.834 0 40 GJAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1 10363888 STOVFXIFSOVMIA-UHFFFAOYSA-N 388.964 4.848 0 40 GJAB O=c1c2ccccc2nc(SCc2cccc(F)c2)n1-c1ccc(F)cc1 10442802 DZOSTPGBLBYADC-UHFFFAOYSA-N 380.419 4.956 0 40 GJAB O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1cc(F)cc(F)c1 10491337 XWIJPENDXAOFJG-UHFFFAOYSA-N 397.303 4.605 0 40 GJAB CCCCc1ccc(NC(=O)CSc2nncn2-c2ccc(C)cc2)cc1 12557960 SJGPRXGPRCYERV-UHFFFAOYSA-N 380.517 4.649 0 40 GJAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 12619368 GOFLFLXEZXCXPM-UHFFFAOYSA-N 392.242 4.623 0 40 GJAB C[C@@H](SCC(=O)Nc1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1 12628295 REMSVHZTNUHYCT-MRXNPFEDSA-N 394.544 4.986 0 40 GJAB Cc1nc2cc(NC(=O)COc3ccc(Cl)cc3Br)ccc2o1 12753358 SVTFVZTXDVGDTP-UHFFFAOYSA-N 395.640 4.570 0 40 GJAB CC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)cnc21 12762595 REBARVIIGCUEQG-UHFFFAOYSA-N 399.426 4.666 0 40 GJAB Cc1cc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(C)n1Cc1ccco1 12766838 OOXHUDMNOGSIGP-UHFFFAOYSA-N 379.460 4.593 0 40 GJAB CCOc1ccccc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 12904084 MPQZFHMEIJZURY-UHFFFAOYSA-N 391.402 4.988 0 40 GJAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc(OC)c4)=NN23)cc1 13768961 QAKVVKVPFMQARF-VWNXMTODSA-N 386.451 4.946 0 40 GJAB Cc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)cn1 14199408 ASAOUHRNEALODL-UHFFFAOYSA-N 375.400 4.676 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 15422642 JZDIEVGELTXSJK-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CN(C(=O)COc1ccc(F)cc1)[C@H](c1ccccc1)c1c[nH]c2ccccc12 15670858 SBVIQLKIJUMPBB-XMMPIXPASA-N 388.442 4.934 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)s2)c(OC)c1 15829796 CZAJMBKJGDUBNQ-ZDUSSCGKSA-N 396.306 4.505 0 40 GJAB Cc1cccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)c1 17135418 OOPVILDEFLJJRH-UHFFFAOYSA-N 384.487 4.858 0 40 GJAB COc1ccc(CN2C(=O)CS[C@H]2c2ccc3cc(OC)ccc3c2)cc1 17198413 MDGVXXRFCJBOMN-QFIPXVFZSA-N 379.481 4.631 0 40 GJAB CCN(Cc1ccccc1)c1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 20662146 SMSYGBLMGBDMQI-UHFFFAOYSA-N 377.879 4.804 0 40 GJAB COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)o2)cc1OC 20759990 ZFMXKVRVDFMXJU-UHFFFAOYSA-N 376.865 4.623 0 40 GJAB O=C(Nc1ccc(F)cc1)c1cccnc1Nc1cccc(Br)c1 22053918 IOEYVKFWDFFBBS-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 22245577 KIFKGTMGOJIPDW-CQSZACIVSA-N 381.501 4.719 0 40 GJAB Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCCCC2)cc1 23704186 OICGTEIXQKIRLW-UHFFFAOYSA-N 384.476 4.505 0 40 GJAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccs2)c1 24177766 NAMGIBCKCTZMDM-UHFFFAOYSA-N 389.480 4.539 0 40 GJAB Cc1noc(C)c1COC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 25776087 IUHVZYAWLFHVQB-UHFFFAOYSA-N 383.429 4.530 0 40 GJAB O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 28041100 OPRNRRDAKMOXSV-OUKQBFOZSA-N 381.419 4.671 0 40 GJAB COc1ccc(OCc2ccc(C(=O)Nc3cc(-c4ccccc4)n[nH]3)o2)cc1 28245370 KYSKENMGLSZOMD-UHFFFAOYSA-N 389.411 4.510 0 40 GJAB Cc1ccc(COC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1 28450774 QUIOQYKHOIKZSU-UHFFFAOYSA-N 393.414 4.509 0 40 GJAB CC(=O)c1cccc(NC(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)c1 32610185 YUUIGCLGNFTOQI-UHFFFAOYSA-N 396.422 4.522 0 40 GJAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1c(F)cccc1F 36446804 BQSFDQVODOCHNO-IBGZPJMESA-N 390.480 4.674 0 40 GJAB O=C(CSCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccccc1 40067461 QBHUADJJSCLZFF-UHFFFAOYSA-N 393.390 4.627 0 40 GJAB CC1CCN(Cc2ccc(CNCc3c[nH]nc3-c3ccc(F)cc3)cc2)CC1 40091388 DMWUFQPVGUCJQR-UHFFFAOYSA-N 392.522 4.738 0 40 GJAB CN(Cc1ccccc1Br)C(=O)Nc1ccc(OC(F)F)cc1 40103187 LDHTYMJMQONVDC-UHFFFAOYSA-N 385.208 4.714 0 40 GJAB COc1ccc(CSc2nc3ccccc3c(=O)n2CCCOC(C)C)cc1 45649515 ABKIRXWQFXRTFN-UHFFFAOYSA-N 398.528 4.513 0 40 GJAB CC(C)n1ncc2cc(NC(=O)c3cc4cc(Br)ccc4[nH]3)cnc21 48273694 XJZSXXUYDNDZHV-UHFFFAOYSA-N 398.264 4.508 0 40 GJAB Cc1ccc(C)c([C@@H](C)NCC(=O)N(Cc2ccccc2)Cc2ccco2)c1 49605834 FCLKQQJYSMBKRV-HXUWFJFHSA-N 376.500 4.776 0 40 GJAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1cc(Cl)c(Cl)cn1 95962660 GKELTFGPDXKIIO-UHFFFAOYSA-N 395.271 4.721 0 40 GJAB COc1ccc(C)cc1-c1csc(NC(=O)c2c(F)c(F)cc(F)c2F)n1 95963576 HIJFJEMPASRQJY-UHFFFAOYSA-N 396.365 4.936 0 40 GJAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3cccc(C)c3F)n2)cc1 95965973 LPOKTBQGCCJKMG-ZDUSSCGKSA-N 397.475 4.707 0 40 GJAB O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCC[C@@H]2CCCC[C@@H]21 97212379 RHSCKMQKTDWJCS-WFASDCNBSA-N 379.382 4.550 0 40 GJAB COc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1OC 98073260 TYXCKYJHPAUVBM-MRXNPFEDSA-N 389.451 4.677 0 40 GJAB O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1cc(Br)cs1 206668792 STBNYVNDWAJDRV-UHFFFAOYSA-N 396.291 4.752 0 40 GJAB CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 219686418 RUYQCADTRVLVEE-GFCCVEGCSA-N 380.307 4.967 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 222801986 BUWNGAQIGFYGPT-OALUTQOASA-N 383.904 4.987 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C)c1 222866145 SUOVGZBUBPUHCU-SFTDATJTSA-N 376.529 4.563 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224620859 PKYUHSWDXPGQJD-MRXNPFEDSA-N 387.892 4.963 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1C(C)C 224937808 AGAMLNWZYJDZPN-UHFFFAOYSA-N 388.533 4.528 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1C 225163413 WDUBLKCJSWEBTC-HNNXBMFYSA-N 384.501 4.667 0 40 GJAB O=C(CCc1c(Cl)cccc1Cl)Nc1cccc(N2CCCC2=O)c1 225362652 VBCHEONXZCGPRP-UHFFFAOYSA-N 377.271 4.692 0 40 GJAB CC(=O)Oc1cc2c(cc1C(C)=O)[C@@H]1CC[C@@]3(C)[C@@H](CC[C@H]3OC(C)=O)[C@H]1CC2 252483596 FFTDLJHPIMGYHN-CROMNDFGSA-N 398.499 4.602 0 40 GJAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 257279310 OGADVIASLQJQEK-KRWDZBQOSA-N 395.503 4.981 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1Cl 408585665 HYLJFYPGGDVYFF-UHFFFAOYSA-N 380.680 4.846 0 40 GJAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(CC(=O)NC(C)C)cc1 585100383 VIYPJPGJEKFTRH-NRFANRHFSA-N 393.531 4.740 0 40 GJAB CCN(CC)C(=O)c1ccc(OCc2ncc(Br)cc2Cl)cc1 663981681 AWFFZWMJDGWNNN-UHFFFAOYSA-N 397.700 4.559 0 40 GJAB CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2Cc1ccc2[nH]ccc2c1 1848355568 AMKVPGIEFRESHR-CCDWMCETSA-N 387.527 4.885 0 40 GJAB CC1(C)C(C(=O)Nc2cc(Br)ccc2Br)C1(C)C 626295 TZAUJUGHFUCFJM-UHFFFAOYSA-N 375.104 4.832 0 40 GJAB CN(C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1 646547 CATUOMTUBBHCCS-UHFFFAOYSA-N 393.390 4.511 0 40 GJAB Cc1nc(SCC(=O)N2CCCCCC2)c2c3c(sc2n1)C[C@H](C)CC3 1326287 AITUAKXUZQUMPY-CYBMUJFWSA-N 389.590 4.619 0 40 GJAB CCCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 2424563 NOTCCASVDGEVKW-IUXPMGMMSA-N 377.774 4.752 0 40 GJAB c1ccc(-n2ncc3c(SCc4nc5ccccc5s4)ncnc32)cc1 3324983 URSDFLJPCGUPRP-UHFFFAOYSA-N 375.482 4.718 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 3435488 WOKBMJZXQZNQSS-UHFFFAOYSA-N 379.287 4.657 0 40 GJAB CCOc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 4375337 LWYUPPYTKOGSQY-UHFFFAOYSA-N 386.904 4.835 0 40 GJAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(C)c3C)nn2)s1 4392170 NWJIXCGZPBOKLF-UHFFFAOYSA-N 384.530 4.565 0 40 GJAB O=[S@](CCCC[S@@](=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 5204060 RWDYSSMDVBIEHM-VXKWHMMOSA-N 375.342 4.689 0 40 GJAB Cc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)c1 5264927 HQQJYSIXNXKIGH-UHFFFAOYSA-N 377.444 4.986 0 40 GJAB CC(=O)Nc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 5556198 DVTVFWHBLVGDLQ-UHFFFAOYSA-N 383.300 4.824 0 40 GJAB CN(C)CCCNCC[C@@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 6662238 RBXMWPWASVANNY-AZUAARDMSA-N 381.004 4.635 0 40 GJAB C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(C)Cc1ccc(C(C)(C)C)cc1 6833231 JRBBXNBIGSYQQS-FDDCHVKYSA-N 378.560 4.998 0 40 GJAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 6963796 HVAAOYHNMCTNQG-VCHYOVAHSA-N 398.871 4.847 0 40 GJAB CCc1ccc(-c2noc(CSc3nc(-c4ccc(C)cc4)n[nH]3)n2)cc1 7113680 UVFVQLWIRWILAN-UHFFFAOYSA-N 377.473 4.685 0 40 GJAB Cc1ccccc1OCC(=O)Nc1ccc(Br)cc1Br 7264581 ZYNYJXIMFGQSHK-UHFFFAOYSA-N 399.082 4.538 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccc(F)cc3)cc12 7638447 WVNADRGUCVXNAI-UHFFFAOYSA-N 383.423 4.985 0 40 GJAB CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)c1ccc2c(c1)OCCCO2 7986993 IWBYEZQDNICGET-QFIPXVFZSA-N 376.456 4.523 0 40 GJAB Cc1ccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(C)c1 8086230 OEOHGNDZPRLGBI-UHFFFAOYSA-N 380.513 4.698 0 40 GJAB CC(=O)c1ccccc1OCCSc1nnc(C2CC2)n1Cc1ccccc1 9450766 HNSUKLPXQPMBGR-UHFFFAOYSA-N 393.512 4.578 0 40 GJAB CN1C(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2Oc2ccccc21 9827811 ICNHQMYWEQEUPS-UHFFFAOYSA-N 378.815 4.975 0 40 GJAB CC(C)[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1 10368023 HPOZIELEEIFABJ-HXUWFJFHSA-N 399.922 4.885 0 40 GJAB Cc1noc(C)c1C(=O)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)no1 12120238 SXMPYNFWEJFWDO-GOSISDBHSA-N 383.423 4.843 0 40 GJAB CSCC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1nc2ccccc2[nH]1 12540683 BUAVMPQXBUDZQO-LJQANCHMSA-N 399.585 4.964 0 40 GJAB CSCC[C@H](NC(=O)c1cccc2ccccc12)c1nc2ccccc2[nH]1 12546426 RQOMSGKYUDTFOE-FQEVSTJZSA-N 375.497 4.940 0 40 GJAB COc1ccc(-c2nc(C(=O)N(C)c3nc4ccccc4s3)cs2)cc1 12975292 HNYKAGPEDJLPKS-UHFFFAOYSA-N 381.482 4.705 0 40 GJAB C[C@H](OC(=O)CCCc1nc2ccccc2s1)C(=O)c1ccc(F)c(F)c1 13010769 ILBNUEXGSVDXTM-LBPRGKRZSA-N 389.423 4.712 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc2c(n1)[nH]c1ccccc12 16048411 FQVFZMQDOCVTNY-LBPRGKRZSA-N 387.468 4.659 0 40 GJAB C[C@@H]1CCC[C@@H](NC(=S)Nc2nn(Cc3ccccc3)cc2Cl)[C@@H]1C 17077122 MHDYQMDKCNWRDR-CKEIUWERSA-N 376.957 4.696 0 40 GJAB Cc1nc2nc(SCc3ccccc3Cl)nn2c(O)c1Cc1ccccc1 18029808 XNQUKJXUULMINI-UHFFFAOYSA-N 396.903 4.675 0 40 GJAB C[C@H](NC(=O)c1ccccc1NC(=O)CCc1ccccc1F)c1ccccc1 19628930 PXVJDJJNBSYIBB-KRWDZBQOSA-N 390.458 4.888 0 40 GJAB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=S)NC(C)C 19797151 IJQODWOPTHBGOO-UHFFFAOYSA-N 382.938 4.940 0 40 GJAB Fc1ccc(-c2nnc(CSc3nc(-c4ccccc4Cl)n[nH]3)o2)cc1 19928218 KQUMKHJRKSMKFG-UHFFFAOYSA-N 387.827 4.607 0 40 GJAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 20139928 OVVVEMNLBSVNOV-UHFFFAOYSA-N 392.194 4.910 0 40 GJAB Cc1ccccc1-c1nc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)no1 21806646 GPEGMFCPIGESER-CQSZACIVSA-N 385.851 4.721 0 40 GJAB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 28291841 UGJKXHUHBVXIFU-DEOSSOPVSA-N 394.559 4.841 0 40 GJAB C[C@@H](Nc1nc2ccccc2s1)C(=O)NCc1csc(-c2ccccc2)n1 28509173 HYSQDILSGWDQPR-CYBMUJFWSA-N 394.525 4.537 0 40 GJAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1C(=O)c1ccccc1 29168933 QHJIWJYNVKJMCA-UHFFFAOYSA-N 384.435 4.518 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 30809619 LMIFHGNESMVMBX-UHFFFAOYSA-N 379.412 4.596 0 40 GJAB CCCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(OC)cc2)cc1OCCC 32810872 CIKFORAJXURXFN-INIZCTEOSA-N 386.492 4.712 0 40 GJAB COc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c(OC)c1 35040436 GOSXLMAGZXRJFJ-CXUHLZMHSA-N 391.901 4.763 0 40 GJAB CC[C@H](CO)NCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 36391868 MMRMFTFQAQPTCD-HSZRJFAPSA-N 391.511 4.705 0 40 GJAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCc2ccccc21 40143255 FMBXSCZFDMVSBJ-UHFFFAOYSA-N 380.444 4.651 0 40 GJAB CCN(C(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccccc1C 44040356 RFIDHQMFOPAVTR-UHFFFAOYSA-N 390.512 4.825 0 40 GJAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(COc2ccccc2F)o1 47080403 TZRADKMQSGVYDN-UHFFFAOYSA-N 377.375 4.640 0 40 GJAB COc1ccc(NC(C)=O)c(NC(=O)c2ccc(-c3ccccc3F)s2)c1 48366373 MDZQLIICFGFGJK-UHFFFAOYSA-N 384.432 4.774 0 40 GJAB Cc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)c2oc3ccccc3c2n1 57412112 FBGRTVMOJNNXSR-UHFFFAOYSA-N 392.890 4.660 0 40 GJAB C[C@H](OC[C@@H](O)CSc1nnc(-c2cccs2)o1)c1ccc(Cl)cc1 58012317 YOSMAHDWDUYHQQ-SMDDNHRTSA-N 396.921 4.682 0 40 GJAB COc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3ncc(C)o3)c2)c(OC)c1 66958090 BCZXWNCBZKSIKA-CQSZACIVSA-N 381.432 4.550 0 40 GJAB O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccc(O)c(Cl)c1)CC(O)=N2 71279176 AYBNHMFODADGQP-ZDUSSCGKSA-N 375.856 4.554 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(OCC)c2)cc1 72328984 CKQNDCHPCPLTTQ-UHFFFAOYSA-N 393.487 4.584 0 40 GJAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nc(-c2ccncc2)cs1 72404861 PQSMNFHSWQDWRP-UHFFFAOYSA-N 395.875 4.511 0 40 GJAB Cc1noc(C)c1[C@H]1SCC(O)=Nc2c1cnn2Cc1ccc(Cl)cc1 79495258 XMMGXQXHYYIACD-KRWDZBQOSA-N 388.880 4.614 0 40 GJAB Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc3c(n2)CCCC3)ccc1F 89540670 BVEFDEACHYCFTE-UHFFFAOYSA-N 393.418 4.506 0 40 GJAB CC[C@@H](C)c1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3nc(N)nc(O)c32)cc1 101660239 PJPSDOLCUOOKLE-PXAZEXFGSA-N 398.466 4.827 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2C)cc1Cl 216267949 JYWDLEABLUXNNP-KRWDZBQOSA-N 375.852 4.621 0 40 GJAB Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)cc1 222733959 LPDZEJCNRLYXPD-RBUKOAKNSA-N 381.526 4.737 0 40 GJAB CCOC(=O)c1c(NC(=O)CCc2ccc(F)cc2)sc2c1CCCC2 223552317 WHWDVOLDDJUZEQ-UHFFFAOYSA-N 375.465 4.514 0 40 GJAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C 224139305 UQHPIWMWECRMBZ-QGZVFWFLSA-N 375.896 4.536 0 40 GJAB COc1ccc(CCC(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1 225313280 VXHAOMQAHJBDHN-NRFANRHFSA-N 379.500 4.971 0 40 GJAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1cccc(C(F)(F)F)c1 225739377 VVZYMGRBJDCZGR-CQSZACIVSA-N 393.478 4.833 0 40 GJAB COc1ccc(C2(C(=O)N3CCC(Cc4ccnc(C)c4)CC3)CCCC2)cc1 257255049 KFWOFSWPKQSCCM-UHFFFAOYSA-N 392.543 4.692 0 40 GJAB Fc1cccc(N[C@@H]2CCN(Cc3nccs3)C[C@@H]2Cc2ccccc2)c1 257319335 VRYBNGACBSKECZ-GHTZIAJQSA-N 381.520 4.828 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)ccc1O[C@H](C)CC 260814451 IJCIIZXBGAZYKS-MCFFVMPBSA-N 391.508 4.574 0 40 GJAB COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccccc2)sc2c1CCCC2 409114179 DASWMBSFGFPFGD-GFCCVEGCSA-N 375.515 4.533 0 40 GJAB CCCN1C(=O)N/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 409232101 NBHJFOBJEVVGOG-XDHOZWIPSA-N 393.874 4.646 0 40 GJAB CC(C)Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)on1 1615157903 OOLCHCUMSKNUOW-PMACEKPBSA-N 399.510 4.674 0 40 GJAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1 1775971551 UOAOMVQLYVNEOS-UHFFFAOYSA-N 398.322 4.690 0 40 GJAB O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1ccc(Cl)cc1 1088457 RPFGFJYCLZGDQA-UHFFFAOYSA-N 396.697 4.710 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)sc(C)c1C 1102496 QFDXZVXIZQKNIC-LBPRGKRZSA-N 395.908 4.909 0 40 GJAB Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NC[C@H]1CCCO1 1469221 FUPUTEUMRXAWPI-QGZVFWFLSA-N 380.875 4.772 0 40 GJAB CCSc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3 2367922 AZFRCRRXKYMDHB-UHFFFAOYSA-N 375.519 4.860 0 40 GJAB CCOC(=O)CCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 3224727 CXJHDECCTAIQOL-UHFFFAOYSA-N 396.874 4.628 0 40 GJAB COc1ccc(-c2nc(NC(=O)CSCc3ccccc3)sc2C)cc1 3237229 HIJKMEUPHIUBLL-UHFFFAOYSA-N 384.526 4.999 0 40 GJAB O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1 4386837 OOPIRPPRAXUUOK-UHFFFAOYSA-N 393.874 4.694 0 40 GJAB C[C@H](OC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(=O)c1ccccc1 4593279 XMZGSCOVUWDKRR-INIZCTEOSA-N 398.418 4.832 0 40 GJAB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NCc1ccccc1 4672279 SRCDQOAUDBWPIP-UHFFFAOYSA-N 384.479 4.914 0 40 GJAB Cc1ccnc(NC(=O)CC[C@@H](CC(=O)Nc2cc(C)ccn2)C(C)(C)C)c1 4710767 JUTUKXIEVKZCKI-KRWDZBQOSA-N 382.508 4.503 0 40 GJAB CCCc1nc2sc3c(NCCN(CC)CC)ncnc3c2c2c1CCCC2 4834596 JROPJPGWYJLSKT-UHFFFAOYSA-N 397.592 4.825 0 40 GJAB CCc1c(C)sc2nc(C)nc(SCC(=O)Nc3ccc(OC)cc3)c12 4888811 LWZJRTPEFKYBEB-UHFFFAOYSA-N 387.530 4.610 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccccc1Cl 5136147 ITPRKBXRMUTBOM-UHFFFAOYSA-N 380.831 4.778 0 40 GJAB Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2c3c(sc2n1)CCCC3 6170825 AUXPBSXKZGZTAE-UHFFFAOYSA-N 387.505 4.748 0 40 GJAB Cc1cc(C)c(OCC(=O)N(Cc2ccco2)Cc2ccccc2F)c(C)c1 6747643 GNTFZHGOECZEKD-UHFFFAOYSA-N 381.447 4.952 0 40 GJAB Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1cccnc1 6827804 DNLWBDSGXJZHJS-UHFFFAOYSA-N 386.480 4.519 0 40 GJAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)s2)c1 7987935 AAYMBUBWVGFBDZ-UHFFFAOYSA-N 386.860 4.915 0 40 GJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)[nH]1 9426750 GVBHAMYIQRBEOE-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccn4)ccc3c2C)cc1 9486129 WTGNOOZEADJFFV-UHFFFAOYSA-N 386.407 4.628 0 40 GJAB O=C(COc1ccc(Br)cc1Cl)N1CCC[C@@H]1c1ccccc1 9957059 OPHGPJBBEYFBQW-MRXNPFEDSA-N 394.696 4.845 0 40 GJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10546310 ZXPSHKLPOOZMKR-MRXNPFEDSA-N 389.430 4.982 0 40 GJAB COc1cccc(C(=O)N2CCC[C@@H](c3cc4c(C)c(OC)ccc4cn3)C2)c1 12187826 AKTUIYBOYQVIAC-LJQANCHMSA-N 390.483 4.580 0 40 GJAB COc1ccc2cc(CNc3ccccc3N3CCCC3=O)c(Cl)nc2c1 12521729 AWUYYCZTWIWORG-UHFFFAOYSA-N 381.863 4.636 0 40 GJAB CCOc1cc2c(cc1NC(=O)Cc1cccc(C(F)(F)F)c1)O[C@H](C)C2 13013010 LRIGQRLKUFOBQI-GFCCVEGCSA-N 379.378 4.609 0 40 GJAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)ccc21 14074912 LPZWIEZZDOUSEX-MQNAVGNWSA-N 389.495 4.936 0 40 GJAB Cc1c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)oc2ccccc12 18039351 IFMFZQSTYWRPHV-UHFFFAOYSA-N 391.254 4.759 0 40 GJAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C[C@@H](C)c4ccccc4)C3)cc2n1 19117063 ZPDKWPRAMQISSF-RHSMWYFYSA-N 388.437 4.650 0 40 GJAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cn(C)nc3C)on2)cc1 19583840 IRGQQARKYWSAIN-NRFANRHFSA-N 380.492 4.509 0 40 GJAB Cc1c(Br)c(N)c(Br)c2nc(-c3ccccc3)oc12 20343600 JMIURXOPVUKDOV-UHFFFAOYSA-N 382.055 4.910 0 40 GJAB Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)c1C 27581071 KRXMHIIUGYWLGG-UHFFFAOYSA-N 380.875 4.964 0 40 GJAB C[C@@H](SCc1cccc2cccnc12)c1nc(N)nc(Nc2ccccc2)n1 29678747 UCKMTSRKBZRPRO-CQSZACIVSA-N 388.500 4.740 0 40 GJAB CC(=O)Nc1cccc([C@@H](C)NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1 32816614 GJJRRVRIQWMNCI-MRXNPFEDSA-N 378.516 4.852 0 40 GJAB COc1ccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1Cl 32841438 BQQWLZDCCZSQQO-UHFFFAOYSA-N 387.863 4.570 0 40 GJAB O=C(COc1cccc(-c2noc(-c3cccs3)n2)c1)Nc1ccc(F)cc1 33327442 SOTGWGIKKQLLCV-UHFFFAOYSA-N 395.415 4.622 0 40 GJAB Cc1ccc(-n2nnc(-c3nc(-c4cccc(Cl)c4)cs3)c2N)cc1F 38486708 PHPBKFFLMWZACD-UHFFFAOYSA-N 385.855 4.741 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccc(-c4cn5c(n4)SCC5)cc3)oc12 38735828 WAUBRBIRWIFVJJ-UHFFFAOYSA-N 391.452 4.663 0 40 GJAB COc1ccc(OC)c(-c2csc(Cc3nccn3Cc3ccccc3)n2)c1 40155842 DHZKHMBFBWDODC-UHFFFAOYSA-N 391.496 4.663 0 40 GJAB CCCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCN(CC)CC2)c(C)c1 57866388 POLPUTPUHZWPLQ-UHFFFAOYSA-N 394.563 4.581 0 40 GJAB Cc1cc(C)c(C(=O)CCCC(=O)N2CCO[C@H](c3ccccc3)C2)c(C)c1 58010255 FQDZCYVXUBWQDE-QFIPXVFZSA-N 379.500 4.565 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(Cl)cc2)cc1 71768896 FUNJHWMJVKUONF-UHFFFAOYSA-N 383.879 4.839 0 40 GJAB Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72349828 GYMPLKJMBVDPMA-INIZCTEOSA-N 381.476 4.672 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72357608 RSPKONNAKTUPPT-JOCHJYFZSA-N 378.422 4.928 0 40 GJAB COc1cccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)OCCCO4)s2)c1 72401246 SVVNXTXNAVZSDU-UHFFFAOYSA-N 396.468 4.541 0 40 GJAB Cc1nc(-c2ccccc2Cl)nc(N2CCC(N(C)CC(F)F)CC2)c1C 79017600 KSIFZHQKLIDBJS-UHFFFAOYSA-N 394.897 4.580 0 40 GJAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N(Cc1ccc(Cl)cc1)C1CC1 84398135 BANUFKZCYXLDMF-FPYGCLRLSA-N 390.266 4.927 0 40 GJAB CC1=C[C@@H](CNC2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 96296140 LTTQDJIJRUAKOZ-ONTIZHBOSA-N 394.607 4.644 0 40 GJAB biogenic,in-vitro O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)Nc1ccn(CC(F)(F)F)n1 97164631 OTRBVBVNHCMXTE-UHFFFAOYSA-N 396.369 4.521 0 40 GJAB CCc1ccccc1NC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 102529172 IBDZFZPELVUOOX-UHFFFAOYSA-N 397.478 4.745 0 40 GJAB O=C(OCc1csc(-c2ccc(Cl)cc2)n1)C1C[C@H]2CCC[C@H](C1)C2=O 103137893 LOKFPBAPDUSTMU-ZIAGYGMSSA-N 389.904 4.902 0 40 GJAB O=C(c1ccccc1Cl)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207013715 BQDISXRMJNDOHI-CYBMUJFWSA-N 387.892 4.546 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)ccc1Cl 219593755 RBGGERSOBJJIFC-SFHVURJKSA-N 375.852 4.621 0 40 GJAB Cc1ccc(N2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 219862890 MPPZQEISMBKXRU-NRFANRHFSA-N 378.516 4.630 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3F)N21 222706189 SYFFIIKJXQZMMX-GQWLDOHISA-N 392.503 4.991 0 40 GJAB COc1ccc(OCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 223393566 RLHPKGUHWCWBMN-UHFFFAOYSA-N 393.508 4.796 0 40 GJAB O=C(NCC1CCCCC1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224544077 DSRMWQKHQBBRSB-UHFFFAOYSA-N 383.363 4.902 0 40 GJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 224858579 KGZVTTAOAQWORR-MSOLQXFVSA-N 385.876 4.519 0 40 GJAB CCOc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1OCC 225065136 FCXHFGASTJKYQZ-UHFFFAOYSA-N 385.504 4.634 0 40 GJAB O=C1S[C@H](Cc2cc3c(cc2Cl)OCO3)C(=O)N1c1ccc(Cl)cc1 409139326 CRWMVRIEJUBMBT-OAHLLOKOSA-N 396.251 4.533 0 40 GJAB Cc1ccc(CC(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cc1 1521673729 RURGTAXFDHVEOD-QFIPXVFZSA-N 386.486 4.548 0 40 GJAB Cc1ccccc1OCC(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615119708 JFYGZOYFOFRDSQ-SFTDATJTSA-N 396.506 4.561 0 40 GJAB FC(F)(F)c1ccccc1OCCN1CCn2cccc2[C@H]1c1ccccc1 1652738115 AECFLYHPDFOVAE-OAQYLSRUSA-N 386.417 4.991 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2nc(C(F)F)cc(C(F)F)n2n1 652749 ORAYMPDEWUVKBK-UHFFFAOYSA-N 390.699 4.649 0 40 GJAB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc2c(c1)OCO2 809531 VCSAIWPENSQRSX-UHFFFAOYSA-N 393.786 4.524 0 40 GJAB CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1cccc(C)c1 866299 VOBKEQQDTSUNFQ-UHFFFAOYSA-N 383.513 4.774 0 40 GJAB CC(=O)c1cc(OC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(F)cc1 958665 PSFIZCDQULIJQS-UHFFFAOYSA-N 396.345 4.606 0 40 GJAB Cc1cccc(-c2nnn3c2nc(NCCc2ccccc2)c2ccccc23)c1 2694189 GVAFFTGKJUQSMC-UHFFFAOYSA-N 379.467 4.908 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 2734177 BDFJFCYPYWHVSZ-UHFFFAOYSA-N 377.440 4.814 0 40 GJAB COc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1 2930845 KCWUAHKFJDPXFA-UHFFFAOYSA-N 395.802 4.911 0 40 GJAB O=C(COc1cccc(OC(F)F)c1)Nc1ccc(SC(F)F)cc1 3235314 JHOSNTGNDJZAFH-UHFFFAOYSA-N 375.343 4.620 0 40 GJAB C[C@H]1C[C@H](C)CN(Cc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)C1 3290920 PPHJCAUFCYZVDI-STQMWFEESA-N 387.936 4.783 0 40 GJAB O=C(COC(=O)c1c(F)cccc1F)Nc1cccc(Oc2ccccc2)c1 3320568 OMHONZVAWMKDHB-UHFFFAOYSA-N 383.350 4.553 0 40 GJAB O=C(c1cc2ccccc2o1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 3339500 KPBQESUELFOSEZ-HNNXBMFYSA-N 378.453 4.868 0 40 GJAB C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)c1ccc(C(C)(C)C)cc1 3521880 VEYDIQHMTVOMFQ-AWEZNQCLSA-N 380.517 4.538 0 40 GJAB O=C1NC(=O)/C(=C/c2ccccc2Oc2ccc(Br)cc2F)S1 4050221 LZJWFTRBKBDIFT-AUWJEWJLSA-N 394.221 4.704 0 40 GJAB C[C@H](Oc1ccc(F)cc1)c1nn2c(Cc3ccc(Cl)cc3)nnc2s1 4667833 QURMIXRZTSUTQA-NSHDSACASA-N 388.855 4.709 0 40 GJAB Cc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1 4941145 CAJNFERYZJKXFW-UHFFFAOYSA-N 376.847 4.943 0 40 GJAB Cc1cccc(CC(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c1 5136920 JFLHARHFYPLSOC-UHFFFAOYSA-N 384.932 4.982 0 40 GJAB CCCCCC(=O)Nc1ccc(C(=O)COC(=O)CCc2ccccc2)cc1 5367752 MIAQMOYANZWUMQ-UHFFFAOYSA-N 381.472 4.564 0 40 GJAB CCc1nc(SCC(=O)Nc2cccc(F)c2)c2oc3ccccc3c2n1 5500017 XVCHVCUJEAXATM-UHFFFAOYSA-N 381.432 4.808 0 40 GJAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2)N1CCc1ccccc1 5577231 RHYUYBIUOZIZJK-JOCHJYFZSA-N 399.421 4.720 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc2ncccc12 6475839 KELBSGMQCFXVQM-QHCPKHFHSA-N 395.462 4.735 0 40 GJAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(CN2CCCC2=O)cc1 6551119 PGXQAOJKTOGVHE-UHFFFAOYSA-N 384.479 4.652 0 40 GJAB CN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 6786892 XWDKMDPXMFCTRW-UHFFFAOYSA-N 395.915 4.708 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc(-n3cnc4ccccc43)cc2)N1C1CC1 7364415 ZEEFRGXNTRGEAF-HSZRJFAPSA-N 380.451 4.754 0 40 GJAB O=C(COc1cccc(Cl)c1)N[C@H](c1ccc(F)cc1)c1cccs1 7890711 WUKVODMTBGBQIX-LJQANCHMSA-N 375.852 4.825 0 40 GJAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O 8475498 ZZIKRPFBCXKUTB-INIZCTEOSA-N 384.435 4.886 0 40 GJAB COc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc3nccnc23)cc1 9074443 XFCRTHYSEDZRPL-UHFFFAOYSA-N 378.823 4.569 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1cc(NC(=O)c2ccco2)ccc1C 9252452 RRCVGSGMCJVBMX-UHFFFAOYSA-N 384.819 4.755 0 40 GJAB COc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1OCc1cccc(F)c1 12371397 UFSKTUNBJNLXFF-MRXNPFEDSA-N 383.444 4.949 0 40 GJAB Cc1cc(Cl)cc(C)c1OCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12487605 ZKDKVMNBNOTBDR-SFHVURJKSA-N 383.879 4.576 0 40 GJAB CCc1nc(SC[C@H](O)c2ccccc2)nc(N)c1-c1ccc(Cl)cc1 12521600 KSEXYBDZBHMTCU-KRWDZBQOSA-N 385.920 4.767 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCCC2)cc1 12522714 OAYSVGXVOGHJAO-UHFFFAOYSA-N 378.394 4.713 0 40 GJAB CC(=O)Nc1ccc(CC(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)cc1 12773288 BSSCMCQCVIVPJL-QHCPKHFHSA-N 380.532 4.999 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1 12775327 MNYIHIPHFLJBFY-HNNXBMFYSA-N 388.467 4.688 0 40 GJAB COc1ccc(OC)c([C@@H]2O[C@@H]3CCCC[C@@H]3c3cc(OC)c(OC)cc32)c1 13516938 HUVLGXCTVIMPTE-ZFUCPZCZSA-N 384.472 4.867 0 40 GJAB Cc1ccc2oc(C(=O)Nc3nonc3-c3ccc(C(C)C)cc3)cc(=O)c2c1 13691703 AGYBGBBTKGIIER-UHFFFAOYSA-N 389.411 4.527 0 40 GJAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 14095553 QCWJSZNCKBYOFP-KRWDZBQOSA-N 381.907 4.854 0 40 GJAB O=C(O)c1ccc(CSc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 16525692 NTNUGWCYQYTPIM-UHFFFAOYSA-N 395.461 4.907 0 40 GJAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4)nccn3n2)cc1 17051593 MZLLZJRCQWMMIT-UHFFFAOYSA-N 392.459 4.575 0 40 GJAB FC(F)(F)c1ccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 17081790 IKBLFIAAOZWRAP-UHFFFAOYSA-N 399.869 4.878 0 40 GJAB CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 19081748 KUKVZNFEICBDBJ-RBBKRZOGSA-N 397.538 4.869 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3[C@@H]3CCSC3)cc2n1 19452350 MVBIPXIGMVJCHG-IUODEOHRSA-N 384.471 4.514 0 40 GJAB COc1ccc(CN2CCC[C@@H]2c2cc(CCOc3ccc(F)cc3)[nH]n2)cc1 19703653 CRGHLPDGCAXGOH-HSZRJFAPSA-N 395.478 4.516 0 40 GJAB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(C(=O)O)c(O)c1 20150980 RVKIBLGYADZCSD-JXMROGBWSA-N 383.787 4.656 0 40 GJAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1(C)C 22006682 YWANYZNFTRQIOX-QZTJIDSGSA-N 380.454 4.592 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2-c2nc(Cc3ccccc3)no2)cc1 22459761 MMCYDOHYUGPKJK-UHFFFAOYSA-N 385.423 4.588 0 40 GJAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)OCc1ccc(Cl)nc1 26565871 HDDFKZBPFDBVBB-UHFFFAOYSA-N 379.268 4.798 0 40 GJAB Cc1cccc(Cn2cc(Br)c(NC(=O)c3ccccc3C)n2)c1 28229077 QMCHQROMIYGGCR-UHFFFAOYSA-N 384.277 4.563 0 40 GJAB Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)c1 28291370 BIJRZTYZEDOPIU-UHFFFAOYSA-N 380.875 4.964 0 40 GJAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1ccc(N2CCCC2)cc1 30006563 DQIFUFOKXBJEPQ-QGZVFWFLSA-N 377.488 4.665 0 40 GJAB CN(Cc1cccs1)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 31346618 CDYKOQAVGLSXAU-UHFFFAOYSA-N 399.825 4.878 0 40 GJAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1)c1ccc2ccccc2c1 31405298 UVBAIJIJUPXZHI-OXQOHEQNSA-N 392.524 4.631 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)N(Cc3ccco3)c3ccccc3)n2)cc1 32837026 PUEHNGADYNNCPQ-UHFFFAOYSA-N 387.439 4.804 0 40 GJAB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2/C(=O)Nc3ccccc32)cs1 33034269 APEXMOBAVFAOPI-LICLKQGHSA-N 395.871 4.974 0 40 GJAB O=C(c1ccc(C(F)(F)F)cc1)N(/C=C\C(=O)C(F)(F)F)Cc1ccco1 33376416 KPHNKRMDDBDSSH-FPLPWBNLSA-N 391.267 4.586 0 40 GJAB COC(=O)c1ccccc1Nc1c(-c2ccc(Cl)cc2)nc2cnccn12 35616359 SGYAFDPUPBPSPA-UHFFFAOYSA-N 378.819 4.580 0 40 GJAB COc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1cccc(Br)c1 40268673 HJNGNAPWEKCIJH-OAHLLOKOSA-N 398.260 4.767 0 40 GJAB CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccco1 43975620 GLUDBIIOHBQPQR-UHFFFAOYSA-N 387.852 4.554 0 40 GJAB O=C(Nc1ccccc1O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 47430846 XYANXHYDMUHBOO-UHFFFAOYSA-N 387.361 4.726 0 40 GJAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3c(C)cccc3C)n2)cc1 57486803 AYERUIAXZQAJPL-UHFFFAOYSA-N 386.455 4.769 0 40 GJAB O=C(c1ccc(F)cc1)N1CCCC[C@@H](Sc2ccc(Cl)cc2)C1=O 58747385 LGWDWHPHOMESRJ-QGZVFWFLSA-N 377.868 4.793 0 40 GJAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 59290363 OEMDCQPZWNOWAX-UHFFFAOYSA-N 390.936 4.989 0 40 GJAB Cn1c([C@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc2)nc2ccccc21 62582470 BMFFTEXVBYNDPI-HSZRJFAPSA-N 381.479 4.581 0 40 GJAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cn1 72370030 SPJRNCAQJGAIFI-JOCHJYFZSA-N 390.462 4.662 0 40 GJAB Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1cccc2ccccc12)C(F)(F)F 84011917 DXHQHJHVUWHCIC-KRWDZBQOSA-N 376.382 4.615 0 40 GJAB Oc1cccc([C@@H]2CN(c3nc4cc(C(F)(F)F)ccc4s3)CCO2)c1 84374495 VRRGZCHGLSSEBY-HNNXBMFYSA-N 380.391 4.599 0 40 GJAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(Cl)nc1C 89969263 KULABCJFJVBJHN-UHFFFAOYSA-N 386.710 4.811 0 40 GJAB COC(=O)C[C@@H](c1oc(CSc2ccccc2Cl)cc(=O)c1O)C(C)C 95478992 TXJRWMONARRHHA-CYBMUJFWSA-N 396.892 4.594 0 40 GJAB O=C(NCC(F)(F)F)c1cc(-c2nc3ccccc3s2)nc2ccccc12 95948063 AVDPUFJBPIPLNC-UHFFFAOYSA-N 387.386 4.804 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(N2CCCCC2)cn1 95954707 NOAPEDLCZWIACS-UHFFFAOYSA-N 396.878 4.941 0 40 GJAB CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccn2cncc2c1 96012096 HBTNNYZDWNQEPO-FQEVSTJZSA-N 388.515 4.696 0 40 GJAB CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1 96341509 GORLQDVSAOBOBQ-UHFFFAOYSA-N 387.483 4.561 0 40 GJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 108874529 QJHVTXMLGBGPII-ZDUSSCGKSA-N 390.936 4.988 0 40 GJAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)c1 218839467 DOYWMJZMHUAVBT-MRXNPFEDSA-N 390.321 4.939 0 40 GJAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1 224368793 ANBKLROXUCTFON-UHFFFAOYSA-N 379.431 4.733 0 40 GJAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCCCC3)o2)c(OC)c1 224935867 UKICUKGVDIXOJX-UHFFFAOYSA-N 392.455 4.652 0 40 GJAB Cc1cccnc1NC(=S)NCCSCc1c(Cl)cccc1Cl 225366372 QPRHGTTWBZFDRP-UHFFFAOYSA-N 386.373 4.917 0 40 GJAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCC 225369668 KHSVEAGGTFXIQM-HSZRJFAPSA-N 394.559 4.651 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1 225640855 IEQWTJDVFMKQNR-CQSZACIVSA-N 393.350 4.820 0 40 GJAB COc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1Br 408619987 FUPKDFGRTRBFQU-UHFFFAOYSA-N 391.290 4.937 0 40 GJAB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1cccc2c(Cl)cccc12 408622903 QELGJGZJFMQYHS-UHFFFAOYSA-N 391.279 4.979 0 40 GJAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408709829 XOYOEBWRFVMHCT-NSHDSACASA-N 378.822 4.630 0 40 GJAB Cc1cc(NC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)ccc1-c1ccccc1 570264028 WZYITCNXQKYMGV-OAQYLSRUSA-N 391.515 4.671 0 40 GJAB C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1C[C@H](C(=O)O)C1(C)C 685944985 MRZHIJMZPDBNIT-PUCZYUMASA-N 393.483 4.661 0 40 GJAB Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)Nc1ccccc1 1401135 LQGZCRGBONHRQI-UHFFFAOYSA-N 375.350 4.792 0 40 GJAB O=C1[C@@H]2CS[C@H](c3ccc(F)cc3)N2C(=O)N1c1ccc(Cl)c(Cl)c1 1443301 PKNFFUZOOCPTJE-GOEBONIOSA-N 397.258 4.715 0 40 GJAB Cc1c2c(cc3c1OCN(Cc1ccccc1)C3)CN(Cc1ccccc1)CO2 1686486 VSXDOHRAYOAAKI-UHFFFAOYSA-N 386.495 4.699 0 40 GJAB CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2411692 LNGNPWDIFPPPMN-LBPRGKRZSA-N 394.862 4.765 0 40 GJAB CC(C)Sc1nc(SCCN(C)C)c2c3c(sc2n1)COC(C)(C)C3 2432505 AUMASNDGASXUGJ-UHFFFAOYSA-N 397.635 4.697 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 2651349 KHYXDDBTJMDHFE-UHFFFAOYSA-N 382.813 4.630 0 40 GJAB O=C1CCCC[C@@H]1Sc1nnc(COc2ccccc2F)n1-c1ccccc1 2662343 XDIQLEVTGPTLFF-IBGZPJMESA-N 397.475 4.589 0 40 GJAB CCn1c(SCC(=O)c2ccccc2Cl)nnc1-c1cccc(OC)c1 3394717 CPVFIVXKRXVBSJ-UHFFFAOYSA-N 387.892 4.602 0 40 GJAB COc1cccc(C(O)(c2cccc(Br)c2)c2cccc(OC)c2)c1 4241652 ZDFWTTBQHKBUTE-UHFFFAOYSA-N 399.284 4.751 0 40 GJAB Fc1ccc(-c2ccc(CNCCCSc3ncccn3)o2)cc1Cl 4984228 WRMNFZWILDEZSA-UHFFFAOYSA-N 377.872 4.801 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)CC2CCCC2)c1 5259035 MPCWNGQXQPOKFX-UHFFFAOYSA-N 395.890 4.866 0 40 GJAB CC[C@@H](OC(=O)c1cccc(NC(=O)c2ccccc2)c1)C(=O)c1ccccc1 5875780 MLFPRQHAKWKJKO-OAQYLSRUSA-N 387.435 4.757 0 40 GJAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 6479866 CAVCSLKSPCOMKJ-UHFFFAOYSA-N 399.899 4.875 0 40 GJAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N1c2ccccc2C[C@@H]1C 6559789 OGGMYHLAKQNZSL-KBPBESRZSA-N 396.541 4.740 0 40 GJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 6849624 FWOFSGVAIHDXDD-ISZCXTENSA-N 391.511 4.603 0 40 GJAB biogenic NC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 7770641 XIFYJWNATVYQGO-UHFFFAOYSA-N 396.899 4.984 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7886338 KTYJMPPTDRFVHS-NRFANRHFSA-N 392.890 4.622 0 40 GJAB COc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccc(C4CCCCC4)c(=O)n2C3)cc1 8296312 AHRJQAMDAWQSQC-PZJWPPBQSA-N 392.543 4.524 0 40 GJAB biogenic,in-vitro O=C(CCc1nc2ccccc2o1)N1CCC[C@H](c2nc3ccccc3s2)C1 8305960 IYYLTWBAXIVWGV-HNNXBMFYSA-N 391.496 4.776 0 40 GJAB O=C(c1cc(Cl)sc1Cl)N1CCN(c2ccccc2Cl)CC1 8747015 VIZLYFNBNDWGSA-UHFFFAOYSA-N 375.708 4.671 0 40 GJAB O=C(Nc1c(Cl)cccc1Cl)C1CCN(Cc2ccccc2F)CC1 9063550 OGBCWXNEOPPRHR-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB COc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc3nccnc23)cc1 9074440 ZQYZTMWZRXYROB-UHFFFAOYSA-N 378.823 4.569 0 40 GJAB Cc1ccc(CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)o1 9954283 UCOMRMYQQJVHDB-UHFFFAOYSA-N 397.475 4.767 0 40 GJAB CCc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314252 QITDPRMOMCJMGH-UHFFFAOYSA-N 394.496 4.611 0 40 GJAB CCc1ccc([C@H](NC(=O)c2cc(=O)c3ccccc3o2)c2cccs2)cc1 10447665 IEQCAGOMIOJIEW-QFIPXVFZSA-N 389.476 4.936 0 40 GJAB Cc1cccc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c1C 12552885 LVHVCKDDNXFLOY-UHFFFAOYSA-N 395.768 4.709 0 40 GJAB Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)nn2)n1 13009629 BNUAISPDEXNGCI-UHFFFAOYSA-N 398.470 4.583 0 40 GJAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1cccc(Br)c1 13683397 XYIPRBZKWDRUEN-UHFFFAOYSA-N 395.105 4.698 0 40 GJAB COc1ccc(O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 14397678 WQLZILOQZOUJTK-LJQANCHMSA-N 375.468 4.692 0 40 GJAB CCCCOc1c(Cl)cc(C(=O)Nc2nnc(SC)s2)cc1Cl 16751578 GNHGSMQGKJVJPY-UHFFFAOYSA-N 392.333 4.998 0 40 GJAB N[C@@H](CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 16931043 UXPCZHNBGISJOQ-NRFANRHFSA-N 377.509 4.514 0 40 GJAB COc1ccc(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 19120460 AJUDSRFLFFHJNG-XUZZJYLKSA-N 391.515 4.800 0 40 GJAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)C2CCCC2)n1 19689433 XWJGZKMABHEGAN-LJQANCHMSA-N 398.938 4.717 0 40 GJAB C[C@@H]1c2ccsc2CCN1Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 23909075 OOJCVQWYSOEMTP-CYBMUJFWSA-N 393.537 4.832 0 40 GJAB CCCCN[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(Cl)(Cl)Cl 24302735 MGRDHYBMPDCKBA-HNNXBMFYSA-N 379.759 4.800 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2cccs2)cc(C)c1Cl 28404477 KJEKGUDOXFRMGS-AWEZNQCLSA-N 389.908 4.669 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccnn1Cc1cccs1 28404496 QXOUEURSJIYCKR-HNNXBMFYSA-N 383.517 4.696 0 40 GJAB CCc1ccc([C@@H](NC(=O)CCc2ccc3c(c2)OCO3)c2cccs2)cc1 29429210 DFGBZPAGNXXJRG-HSZRJFAPSA-N 393.508 4.878 0 40 GJAB Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1ccc(F)cc1F 31547940 OPFLTBRVDPUASU-UHFFFAOYSA-N 379.204 4.698 0 40 GJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1cc(Cl)ccc1F)CC(O)=N2 32095153 HOBAFGWFIZFAMY-LLVKDONJSA-N 392.221 4.540 0 40 GJAB COc1cc(/C=C/C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc(OC)c1 32876353 PBMFWRQFCYRCLB-RMKNXTFCSA-N 389.854 4.701 0 40 GJAB O=C(CCc1cccc(Cl)c1Cl)Nc1cccc(CN2CCCC2=O)c1 32924605 MOJHQESFBARFRZ-UHFFFAOYSA-N 391.298 4.687 0 40 GJAB Cc1ccc([C@H](NC(=O)c2ccc(Cn3ccnc3)cc2)c2ccccc2)cc1 44938123 WOMKFGRAVRXRPP-XMMPIXPASA-N 381.479 4.759 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C 44947129 KKYATWFVLDVMQQ-YLJYHZDGSA-N 382.504 4.628 0 40 GJAB O=C(Nc1nc2c(s1)C(=O)CCC2)c1cccc(-n2ccc3ccccc32)c1 49027557 KWMYYNLSKJUCOM-UHFFFAOYSA-N 387.464 4.858 0 40 GJAB Cc1noc([C@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 58404311 JGCVWYYCGKONRR-NSHDSACASA-N 375.350 4.555 0 40 GJAB FC(F)(Cl)[C@](F)(Br)C(F)(F)[C@](F)(Cl)Br 63148546 CNQPZAGOLNLMLO-BIZFKFMOSA-N 392.746 4.771 0 40 GJAB in-vitro C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc4cccnc34)cc2)C[C@H](C)O1 69598214 VOZXNDXLSVSIMA-HOTGVXAUSA-N 377.444 4.668 0 40 GJAB Cc1nc(C2(NC(=O)CSCc3ccc(Cl)s3)CCCCCC2)no1 69950996 ANGZLCJMDYGGGE-UHFFFAOYSA-N 399.969 4.692 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)NC1(c2nc(C3CC3)no2)CCCCC1 77197394 ZWNWMEMPYXQPJX-UHFFFAOYSA-N 394.397 4.947 0 40 GJAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCC[C@@H]1c1ncc[nH]1 79019521 NZFGGKAJJOKZHP-MRXNPFEDSA-N 382.464 4.600 0 40 GJAB COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)N(C)C1CCOCC1 95963089 FHXFCZPVPSDLIJ-UHFFFAOYSA-N 388.439 4.578 0 40 GJAB COc1cc(OC)c(NS(=O)(=O)/C=C/c2c(C)cc(C)cc2C)cc1Cl 96137033 UDUJVPSZWNRLBK-VOTSOKGWSA-N 395.908 4.695 0 40 GJAB CCCc1ccc2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2n1 215735344 RCALWDJCQPDCNT-UHFFFAOYSA-N 395.406 4.982 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1C 224099483 DOBGSDWASDRORE-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225582617 VKBPSZOMQMLRPI-OAHLLOKOSA-N 386.898 4.669 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(c3ccccc3)CCCC2)c1 225864071 UCJURDRBPWGCTR-UHFFFAOYSA-N 382.529 4.928 0 40 GJAB CCOC(=O)c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226340184 GUHLZCZIIHVCAP-UHFFFAOYSA-N 387.632 4.997 0 40 GJAB O=C(N1CCCC1)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257197507 BJKMYAHDGVUVSS-UHFFFAOYSA-N 385.454 4.594 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260816935 SEYDJNUIEGQQLF-WMZHIEFXSA-N 390.568 4.721 0 40 GJAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1 408627648 MZMOQZBSBUBSGM-UHFFFAOYSA-N 387.439 4.778 0 40 GJAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(F)c1 408628507 UIYHQBXJXXTOEO-UHFFFAOYSA-N 376.762 4.625 0 40 GJAB O=S(=O)(Cc1ccccc1Cl)NCCc1ccc(-c2ccsc2)s1 575612952 DULHGANJLHYJPS-UHFFFAOYSA-N 397.974 4.792 0 40 GJAB CNC(=O)c1cccc(NC(=O)[C@@H](C)SC2CCC(c3ccccc3)CC2)c1 1166790721 MIDCHRRWFQHNBK-SRWJYRBRSA-N 396.556 4.833 0 40 GJAB COc1ccc2nc3sc(C(=O)Nc4ccccc4Cl)c(N)c3cc2c1 917600 BCNNZDIBBDUHMD-UHFFFAOYSA-N 383.860 4.946 0 40 GJAB Cc1nc2sc3c(=O)n(-c4ccc5ccccc5c4)nnc3c2c(C)c1Cl 1069815 CODVXROWXYXHHW-UHFFFAOYSA-N 392.871 4.814 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(F)cc1)N1C(=O)C[C@H]1c1ccco1 1071243 UHCSFAQTYBBJCO-PGRDOPGGSA-N 392.430 4.689 0 40 GJAB O[C@H]([C@@H](c1ccccc1)N1CCCCC1)C(O)(c1ccccc1)c1ccccc1 1690377 WCNZEPPRMMCDML-JWQCQUIFSA-N 387.523 4.511 0 40 GJAB COc1ccc(C(=O)Nc2c(-c3cccs3)c(=O)c3ccccc3n2C)cc1 2435834 SDQOTFMHZAVNDH-UHFFFAOYSA-N 390.464 4.528 0 40 GJAB COc1cc(C(=O)O[C@@H]2CC(C)=CCCC(C)=C[C@H](O)[C@@H]2C(C)C)ccc1O 2564858 OLJDCWYDXLXFJK-NNWRFLSQSA-N 388.504 4.636 0 40 GJAB biogenic COc1ccc(OCCOC(=O)/C(=C/c2cccs2)c2cccs2)cc1 3300193 JRSIGNRAIWLVQX-NBVRZTHBSA-N 386.494 4.981 0 40 GJAB O=C(CSc1ncnc2sccc12)NC(c1ccccc1)c1ccccc1 3604433 VQWWVLIRSWSZHQ-UHFFFAOYSA-N 391.521 4.689 0 40 GJAB S=C(NCCCCCCNC(=S)Nc1ccccc1)Nc1ccccc1 4013928 JJRQXGNPMICWFP-UHFFFAOYSA-N 386.590 4.520 0 40 GJAB O[C@]1(c2ccc(Cl)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 4086884 BBWZNGGTTBGHBI-FQEVSTJZSA-N 376.307 4.644 0 40 GJAB COc1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccc(C(C)C)cc2)c(OC)c1 4699729 NKCGCMSBTMZIJS-MRXNPFEDSA-N 398.503 4.821 0 40 GJAB O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1 4866990 DETFJTGEBSDPJL-UHFFFAOYSA-N 380.347 4.746 0 40 GJAB O=c1[nH]c(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc12 5174346 MUMFRYJNUDKNDV-UHFFFAOYSA-N 388.267 4.540 0 40 GJAB COc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1 5698682 XFSJYCLLKNPJPW-KGENOOAVSA-N 399.446 4.927 0 40 GJAB CCCNC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 6204450 FNMGRJLDSZIZRU-UHFFFAOYSA-N 389.517 4.682 0 40 GJAB O=S(=O)(c1ccc(-c2csc(-c3cccs3)n2)cc1)N1CCCCC1 6553495 RLSKJTIYTPRZLR-UHFFFAOYSA-N 390.555 4.713 0 40 GJAB S=c1[nH]ncn1NCc1cc(Cl)ccc1OCc1ccccc1Cl 7602596 QJSHEJLVGJCNOT-UHFFFAOYSA-N 381.288 4.570 0 40 GJAB Cc1n[nH]c(=S)n1NCc1c(OCc2ccccc2)ccc2ccccc12 7602678 YVPQCSZKLNIGEX-UHFFFAOYSA-N 376.485 4.725 0 40 GJAB C[C@@H](OC(=O)c1cn(C)c2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 7702683 KVNMZZHYWIXEIT-LLVKDONJSA-N 391.254 4.669 0 40 GJAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)o1)c1ccc2c(c1)CCCC2 7828176 QRIWRUYXMHZPIP-OAHLLOKOSA-N 393.512 4.585 0 40 GJAB COc1cccc(CNC[C@@H]2CCCO2)c1OCc1ccc(Cl)cc1Cl 8495441 CIMOAZBGGDRPAP-KRWDZBQOSA-N 396.314 4.850 0 40 GJAB Cc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)cc1 8592524 DPPVPKQLZIJFAK-UHFFFAOYSA-N 382.463 4.601 0 40 GJAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)c1 9514508 ADNZDSQLMAQLRR-UHFFFAOYSA-N 391.448 4.756 0 40 GJAB Cc1nc2cc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)ccc2o1 9709899 PGVMRCNQAOGJEX-UHFFFAOYSA-N 383.354 4.641 0 40 GJAB O=C(O)c1ccc(CNCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 10475230 CIRZNMCQTDRGOU-UHFFFAOYSA-N 381.859 4.907 0 40 GJAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(SC(F)(F)F)cc1 10881649 RQWQXUPAIVDBKE-UHFFFAOYSA-N 384.404 4.945 0 40 GJAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)cc2c1C 12187843 NVSBDRPEWNKDQV-GOSISDBHSA-N 378.447 4.711 0 40 GJAB O=C(CSc1ccccc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 12406653 TVVZIHBEGBKVOH-UHFFFAOYSA-N 376.437 4.931 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 12793094 KUDWUQRXASCUMA-MAUKXSAKSA-N 396.512 4.687 0 40 GJAB CCOc1ccc(OCC)c2nc3c(cc12)CN(Cc1ccccc1)C[C@H](C)O3 13563860 MXPFBBABWGJFSD-KRWDZBQOSA-N 392.499 4.815 0 40 GJAB COc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc(OC)c1OC 13713679 KXCNIFMAXYQPCY-QFIPXVFZSA-N 387.439 4.702 0 40 GJAB Cc1sc(NC(=S)NC(=O)c2ccco2)nc1-c1ccc(C(C)C)cc1 13881950 ICROUIRXIKDSAP-UHFFFAOYSA-N 385.514 4.962 0 40 GJAB COc1cc(C(=O)Nc2nnc(C3CC3)s2)cc(Cl)c1OCCC(C)C 13987749 KTNOVDPWVZAQTA-UHFFFAOYSA-N 395.912 4.755 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCS(=O)(=O)c1ccc(F)cc1 14473334 QNBCEXYVNOFBJK-UHFFFAOYSA-N 391.508 4.875 0 40 GJAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(OCC)c3)cc2s1 17078315 BMWXEYCJECSRIB-UHFFFAOYSA-N 383.473 4.686 0 40 GJAB Cc1csc2c([C@H]3CCN(C(=O)c4cc(C(C)C)no4)C3)nc(C3CCC3)n12 19240510 HHGBXJKKFRONHC-HNNXBMFYSA-N 398.532 4.713 0 40 GJAB CC(C)n1c(SCc2cccnc2)nnc1[C@H]1CCCN(Cc2ccco2)C1 19454626 TYYIDXYYJUXZQL-SFHVURJKSA-N 397.548 4.519 0 40 GJAB CN(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(Br)cc1 20483982 JQCZOWVSXOCVLZ-UHFFFAOYSA-N 398.753 4.994 0 40 GJAB COc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)CC(C)(C)C3)cc1 20797064 XGUBIJPMYXEOED-UHFFFAOYSA-N 391.471 4.788 0 40 GJAB Cc1cc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc(C)c1Cl 21170504 CERAMOKZQUFMTN-LJQANCHMSA-N 392.971 4.593 0 40 GJAB Cc1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c2c1[C@H](C)CC2=O 22322152 XQMKMLJAUACYTG-CABCVRRESA-N 377.440 4.687 0 40 GJAB CCc1nc(COC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cs1 22977206 QEYFJFHMBQLOBD-UHFFFAOYSA-N 379.441 4.574 0 40 GJAB CCCCc1noc(CSc2ncc(-c3ccc(Br)cc3)[nH]2)n1 23079029 RXVYECIFWHCWPB-UHFFFAOYSA-N 393.310 4.857 0 40 GJAB Cc1c(C(=O)N2c3ccccc3C[C@H]2C)cnn1-c1ccc(Br)cc1 24762738 MNKKXDHNDLGYHS-CYBMUJFWSA-N 396.288 4.535 0 40 GJAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2ccc3c(c2)OCCO3)cc1 27161381 YVBYRMGBZDNIDI-NRFANRHFSA-N 395.499 4.543 0 40 GJAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Sc1ccc(C)cc1 28189541 XKCIYKWKXHNNFM-AWEZNQCLSA-N 387.530 4.636 0 40 GJAB CC(=O)c1ccc(OCc2ccc(C(=O)NCc3ccccc3Cl)o2)cc1 28238143 SXSPRFDVQCJYJG-UHFFFAOYSA-N 383.831 4.645 0 40 GJAB COc1ccc(NC(=O)c2nnc(CSc3ccc(Cl)cc3)s2)cc1 29297139 AHDIJLXZTQQUSC-UHFFFAOYSA-N 391.905 4.745 0 40 GJAB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820781 WMUMZOAFCDOTRW-QKNMYQEKSA-N 390.564 4.686 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@@H](C)CCc3ccco3)c12 36613976 RDFSOPSDKVVABM-ZDUSSCGKSA-N 393.418 4.681 0 40 GJAB Cc1nccn1Cc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1 38848506 PZTOZFFHMQOUIA-UHFFFAOYSA-N 399.947 4.556 0 40 GJAB COC(=O)c1cc(NC(=O)c2ccccc2COc2ccccc2)c(F)cc1F 40051102 VKLWVBKYDBKVNU-UHFFFAOYSA-N 397.377 4.583 0 40 GJAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N(C)Cc1ccc(Cl)s1 40066998 APNSJANTPSXMQH-ZDUSSCGKSA-N 376.909 4.799 0 40 GJAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)NCc4ccccc4)ccc32)cc1 46078512 JYXNNLNZSJKLML-UHFFFAOYSA-N 384.479 4.518 0 40 GJAB FC(F)Oc1ccc2c(c1)CCC[C@@H]2NCc1cnc(-c2ccccc2)nc1 69629970 JQYVAYMXIJUBAY-FQEVSTJZSA-N 381.426 4.912 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)cc1 72303713 RHPBASXJUDVZSI-JOCHJYFZSA-N 385.479 4.571 0 40 GJAB Cc1ccc([C@@H]2c3ccccc3NC(=O)CN2C(=S)Nc2ccccc2)cc1 72314715 DNGCTHQTJBNJHI-JOCHJYFZSA-N 387.508 4.736 0 40 GJAB CCc1nnc(Nc2cccc([C@H]3CCCN(CCc4ccccc4)C3)n2)s1 72375938 DFDAQNQVMCWFAR-SFHVURJKSA-N 393.560 4.661 0 40 GJAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)C[C@@H](O)c1ccccc1 79103244 SIXBWGBIZRDZMC-SCLBCKFNSA-N 384.863 4.545 0 40 GJAB Cc1nc(NC[C@H](O)c2ccccc2C(F)(F)F)c2c3c(sc2n1)CCC3 84271729 IKHMAYQDGXZDDE-AWEZNQCLSA-N 393.434 4.653 0 40 GJAB c1cc(CNC2(c3nc(-c4ccsc4)no3)CCCCC2)c2c(c1)OCCO2 95450127 VXJIXBQTDGIUMA-UHFFFAOYSA-N 397.500 4.519 0 40 GJAB Cc1cc(CN[C@H](C)c2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1 95450133 PYYKBQWHDVSDQF-CQSZACIVSA-N 379.335 4.933 0 40 GJAB CC(=O)Nc1ccc(NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)cc1 95477833 LMXXLZOBRZVSKK-SFHVURJKSA-N 395.890 4.913 0 40 GJAB COc1cccc(CN(C)C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)c1 95960074 UAFQMRHUBFICKY-UHFFFAOYSA-N 390.487 4.731 0 40 GJAB CC(=O)Nc1cc(C(=O)Nc2nc(-c3ccco3)cs2)cc(C(F)(F)F)c1 95965996 XDMUZPZGMMPGTC-UHFFFAOYSA-N 395.362 4.633 0 40 GJAB COc1ccc([C@@H]2CCCCCN2[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 103437782 YUOAFHGTTBLIGU-IERDGZPVSA-N 377.488 4.610 0 40 GJAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(Br)c(C)c2)c1 218825042 KEINXWOOLWMIET-HNNXBMFYSA-N 376.294 4.631 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3Cc3ccco3)N21 222686456 XPLXNRRUGMZVHA-UIAACRFSSA-N 378.501 4.504 0 40 GJAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1C 222880616 PVIXNBOMIHCHJY-YVUGPFRESA-N 388.467 4.626 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 222936101 ZDMVXQSABVPPFF-NHCUHLMSSA-N 377.513 4.970 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 223313898 BOYOHEIMICRKAO-JOCHJYFZSA-N 394.559 4.568 0 40 GJAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)s1 223883194 XQKNQCKAVSEXSS-PMACEKPBSA-N 394.569 4.695 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2O1 224664798 NHUJRIHRGWGEFC-QGZVFWFLSA-N 399.487 4.525 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1 224958028 HXUSFOAAXGPATG-UHFFFAOYSA-N 377.532 4.915 0 40 GJAB CC(C)CSc1nnc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)s1 225311959 GJIQBHBAOZEDIU-CYBMUJFWSA-N 391.562 4.571 0 40 GJAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225745524 MPWNBDWNPUGFOZ-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1 225868742 KUSJEOXDGILJEL-UHFFFAOYSA-N 388.895 4.601 0 40 GJAB CSc1ncc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cn1 408529263 GSMCDPWYMJZYOY-FARCUNLSSA-N 388.905 4.627 0 40 GJAB COc1ccccc1CNC(=S)c1cccc(OCc2ccc(F)cc2)c1 408571892 DDEFJWDEMGMIIJ-UHFFFAOYSA-N 381.472 4.879 0 40 GJAB CC1(C)C[C@@]2(CCCN2C(=O)CCc2cccs2)CN1c1cccc(F)c1 1615159478 VEXVBPZBQKNAQK-QFIPXVFZSA-N 386.536 4.870 0 40 GJAB CC[C@]1(c2ccccc2)NC(=O)N(c2ccc(Oc3cccc(F)c3)cc2)C1=O 1615612615 JOSFQDCQHWGIPR-HSZRJFAPSA-N 390.414 4.980 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CCCCC1 793591 CUHKSPFBWIFARW-UHFFFAOYSA-N 378.929 4.730 0 40 GJAB Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2n1 1026250 DYSJNONFTZRQIX-UHFFFAOYSA-N 381.379 4.646 0 40 GJAB Nc1nc(Nc2ccccc2)sc1C(=O)c1ccc(Br)s1 1102195 IYFCDPGFJXSAIK-UHFFFAOYSA-N 380.292 4.524 0 40 GJAB Cc1nc2sc3c(c2c2nnc(SCc4ccc(F)cc4)n12)CCCC3 1372280 KXPCUQNDBZBGIQ-UHFFFAOYSA-N 384.505 4.958 0 40 GJAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 1447929 HQHCQDBRESKKDH-ZDUSSCGKSA-N 386.831 4.752 0 40 GJAB biogenic CC(C)OP(=O)(CC(=O)Nc1nc2ccc(Cl)cc2s1)OC(C)C 2613208 ATIVMXMMSNDZMN-UHFFFAOYSA-N 390.829 4.931 0 40 GJAB CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@@H](C)C3)sc(C)c1C 2708137 BOIKPIAMYZMNJU-SNVBAGLBSA-N 377.531 4.980 0 40 GJAB CCc1nnc2n1N=C(c1ccc(-c3cc(Cl)ccc3Cl)o1)CS2 4162729 VEGUPJYXLIMTPV-UHFFFAOYSA-N 379.272 4.765 0 40 GJAB Cc1ccc(NC(=O)CN2C(=O)C[C@H](c3ccco3)Sc3ccccc32)cc1 4162796 KUULEONUCWUVPI-HXUWFJFHSA-N 392.480 4.797 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(CCc1ccccc1)Cc1ccccc1 4163419 IMQFBGQCNMJRGG-UHFFFAOYSA-N 396.490 4.931 0 40 GJAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccccc4)ccc3oc2=O)cc1 4340723 JISJLZHLEBPVSM-UHFFFAOYSA-N 386.403 4.996 0 40 GJAB biogenic Cc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(C)c2)cc1 4518141 RNSKTABUJJTYKT-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1Nc1ccccc1 4602831 VCDZWOTXDLWVDZ-MOUTVQLLSA-N 394.474 4.752 0 40 GJAB CCc1cc2ccc(OC)cc2nc1SCC(=O)c1ccc(NC(C)=O)cc1 4849406 JAUYOACBGXZIQF-UHFFFAOYSA-N 394.496 4.739 0 40 GJAB COCCN(C(=O)CC1CCCCC1)c1nnc(-c2ccc(Cl)cc2)s1 4880947 KXSXWDLPRGMEEC-UHFFFAOYSA-N 393.940 4.808 0 40 GJAB O=S(=O)(c1ccccc1)c1nc(/C=C/c2ccccc2)oc1N1CCCCC1 5369719 REALMJAHJMWDSW-CCEZHUSRSA-N 394.496 4.668 0 40 GJAB CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1 5678025 MWNYDKQQWGOZAO-UHFFFAOYSA-N 395.436 4.514 0 40 GJAB biogenic Cn1c(SCC(=O)c2ccc(C3CCCCC3)cc2)nnc1C(F)(F)F 6790273 HEQLTXFYJZPUBN-UHFFFAOYSA-N 383.439 4.857 0 40 GJAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 6861325 NJQWCJWNJNIIPW-UHFFFAOYSA-N 377.771 4.524 0 40 GJAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc([C@H](C)CC)cc3)CC2=O)cc1 7072426 HVEMFGKNRFQOEN-SJLPKXTDSA-N 380.488 4.590 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)c(C)c1 8498759 SACYAFQWXZHKTO-INIZCTEOSA-N 377.937 4.774 0 40 GJAB O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)NC1CCCCC1 9231052 SBWMEBIRWWDFKB-UHFFFAOYSA-N 377.916 4.857 0 40 GJAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C)on2)cc1 9607353 APZCJYGRPSQIKE-UHFFFAOYSA-N 375.428 4.711 0 40 GJAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)Nc1ccccc1)OCCO3 10465774 ODSIPGYRWLGPEG-INIZCTEOSA-N 378.472 4.878 0 40 GJAB CC(C)c1csc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)n1 10556427 MYFFOOXTSLOVLS-UHFFFAOYSA-N 392.484 4.746 0 40 GJAB Cc1c(C(=O)NCCc2cnn(-c3ccccc3)c2)oc2c(Cl)cccc12 11531335 DLGGVEGSTXAZID-UHFFFAOYSA-N 379.847 4.553 0 40 GJAB CCc1cc(C(=O)N2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)on2)no1 12186536 YUZZVDLVUNNSKH-FQEVSTJZSA-N 395.459 4.658 0 40 GJAB COc1c(Cl)cc(C(=O)Nc2ccnn2Cc2cccs2)cc1Cl 12407929 CFEBHMIHARURDD-UHFFFAOYSA-N 382.272 4.561 0 40 GJAB CC(=O)N(c1nc(CN2CCc3ccccc3C2)cs1)c1ccccc1F 12485766 IYKWOAYEBVGHJI-UHFFFAOYSA-N 381.476 4.525 0 40 GJAB CCC(CC)NC(=O)Cc1csc2nc(C34CC5CC(CC(C5)C3)C4)cn12 12506793 UUDMWUMDRLOJST-UHFFFAOYSA-N 385.577 4.711 0 40 GJAB CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(-c2csc(C)n2)cc1 12631770 LKAOACIBDJXTKY-AWEZNQCLSA-N 381.501 4.956 0 40 GJAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(O)cc3)c3ccccc3C2=O)cc1C 12651872 VRKRRVPCBIYJGK-HYARGMPZSA-N 384.435 4.649 0 40 GJAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 13267724 NAVZIZMWDHZOCY-UHFFFAOYSA-N 398.915 4.614 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)c2ccccc2Br)c1 13632352 IIJKOHLLDXTCMC-UHFFFAOYSA-N 376.294 4.599 0 40 GJAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]21 16116134 RHKPIYXWINNWJU-OXUXUCFPSA-N 381.781 4.617 0 40 GJAB CCN(CC)CCOC(=O)c1ccc(NC(=S)Nc2ccc(C)cc2C)cc1 16218701 REUPANTVPXZSGB-UHFFFAOYSA-N 399.560 4.611 0 40 GJAB CC[C@H](NC(=O)c1cc(C(F)(F)F)nn1CC)C12CC3CC(CC(C3)C1)C2 17078299 IXDBNQNWWWLLLX-QAQURRIXSA-N 383.458 4.647 0 40 GJAB c1ccc(Cc2ccc([C@H]3CN(Cc4ccnc5ccccc45)CCO3)nc2)cc1 19692400 OMWYDDLOHLBUAK-AREMUKBSSA-N 395.506 4.794 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 20050836 WYRVUZPWDNMFST-JOCHJYFZSA-N 388.467 4.763 0 40 GJAB Cc1c(C)n(CC(C)C)c2ncn3nc(-c4ccccc4Br)nc3c12 21801476 NMQJKMZGIOREPL-UHFFFAOYSA-N 398.308 4.781 0 40 GJAB COc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1Br 23786050 DMKJLSHSRLBTKB-UHFFFAOYSA-N 386.648 4.522 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(C2CCCCC2)cc1 25044065 OLKYZLYTLHUWBB-OAQYLSRUSA-N 398.572 4.599 0 40 GJAB Cc1nccc(-c2cccc(NC(=O)c3cc(C)n(Cc4ccccn4)c3C)c2)n1 25169189 PTNRHDNCRSFCCI-UHFFFAOYSA-N 397.482 4.566 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CN(C)[C@H]3CCc4ccccc43)c2)cs1 29486344 ZHESKYNZIMZSNM-NRFANRHFSA-N 377.513 4.676 0 40 GJAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1cccc(C(F)(F)F)c1 32610612 WWCWMGAHRIFVPS-UHFFFAOYSA-N 391.368 4.958 0 40 GJAB C[C@@H](OCCCNC(=O)NCCCO[C@H](C)c1ccccc1)c1ccccc1 32907656 ZNOXLOLWWIDKFK-WOJBJXKFSA-N 384.520 4.621 0 40 GJAB CN(C)[C@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(F)cc1 40157490 ABOMHOFFTWOTKW-OAHLLOKOSA-N 394.874 4.866 0 40 GJAB O=C(c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)N1CCCC1 70021486 WVEURVJAQSHVFB-UHFFFAOYSA-N 396.288 4.538 0 40 GJAB Cc1nc(NCCc2ccccc2)sc1C(=O)N[C@H](C)CCc1ccccc1 71326512 GRLNPZFXNFVZSG-QGZVFWFLSA-N 393.556 4.857 0 40 GJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)C2CC2)s1 72277163 ONCNXNQDKIKQTR-MSOLQXFVSA-N 382.529 4.895 0 40 GJAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2c(F)cccc2Cl)C1 77200121 GBCQQOPZAJTTKW-HUUCEWRRSA-N 390.842 4.769 0 40 GJAB O=C(NCCc1coc(-c2ccccc2)n1)c1cc(C2CC2)nc2ccccc12 89851332 KQFDZIJTCXGIRJ-UHFFFAOYSA-N 383.451 4.740 0 40 GJAB COc1cccc(C(=O)N(C)c2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1 95958547 CFWLKOCUMGIZHN-INIZCTEOSA-N 378.497 4.701 0 40 GJAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 100554681 ZZMDCGIDRVEUOO-OYUDYFSCSA-N 385.847 4.818 0 40 GJAB Clc1ccc(C2=C[C@H](c3cccc(Cl)c3Cl)n3nnnc3N2)cc1 101148376 DXGVWNBOSRMDFL-CQSZACIVSA-N 378.650 4.689 0 40 GJAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OC 115547221 KVSPIVQJSTXAKG-QGZVFWFLSA-N 385.504 4.562 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219331311 URFXLWAIWUXROF-RTWAWAEBSA-N 397.515 4.888 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1nccs1 222591638 PNMUDKSBEINCEP-KKXDTOCCSA-N 395.557 4.535 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1 223326798 AHZRCQISLGECBJ-QFIPXVFZSA-N 383.557 4.772 0 40 GJAB COc1cccc(OCc2cc(C(=O)N[C@H](C)c3ccccc3)ccc2OC)c1 224250611 MPYYBFNRKFHMCS-QGZVFWFLSA-N 391.467 4.774 0 40 GJAB CCOc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 225681592 TVWXFRSOLCJYDB-SFHVURJKSA-N 386.517 4.683 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225699178 MYCDEBUDJMHQMK-WMZHIEFXSA-N 390.568 4.864 0 40 GJAB CCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C(=O)OC 225853435 UDKUICGPSBXUEP-AOMKIAJQSA-N 391.508 4.576 0 40 GJAB COCCOc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1C(F)(F)F 225956882 WNKFLJSZMHXCGA-UHFFFAOYSA-N 395.421 4.938 0 40 GJAB CCCCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OCC 408531468 MABPPSOORGBPLS-UHFFFAOYSA-N 390.863 4.957 0 40 GJAB CC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 408571714 DDCZIPPTBXRWTE-WYMLVPIESA-N 390.464 4.676 0 40 GJAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(OC)cc1OC 408588350 VQMCJFDZUNRIPN-UHFFFAOYSA-N 394.265 4.507 0 40 GJAB CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1C 408629097 ZEPUEHNVAOHHPA-UHFFFAOYSA-N 382.489 4.592 0 40 GJAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 674133 PSLLKQLPQDCCLQ-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1cccc2nc(-c3cccc(NC(=O)c4cc5ccccc5oc4=O)c3)cn12 798150 FWCHFBYUWRJMNG-UHFFFAOYSA-N 395.418 4.668 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3cc4ccccc4oc3=O)sc2C)cc1 947338 LKMYXLOUQWMBCQ-UHFFFAOYSA-N 376.437 4.786 0 40 GJAB COc1ccc2cc(CN(Cc3cccnc3)C(=O)C3CCC3)c(Cl)nc2c1 1367808 YXQVVORMZUYQOR-UHFFFAOYSA-N 395.890 4.621 0 40 GJAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 2562681 BQIBBYLXJDSLIR-AYNVCCPXSA-N 376.537 4.893 0 40 GJAB COc1ccc(-n2c(N)c(C(=O)Nc3ccc(Cl)cc3)sc2=S)cc1 3295249 GUSKYGQYKDYBNM-UHFFFAOYSA-N 391.905 4.765 0 40 GJAB O=C(CSc1ncnc2ccccc12)NC(c1ccccc1)c1ccccc1 3322088 NBINXRYBEBXUTJ-UHFFFAOYSA-N 385.492 4.628 0 40 GJAB FC(F)Sc1ccc(C2=Nn3c(Cc4ccccc4)nnc3SC2)cc1 4086318 HUCUNYQKNVRIKQ-UHFFFAOYSA-N 388.468 4.542 0 40 GJAB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 5129754 RVAKIDKIZFHGDA-INIZCTEOSA-N 386.904 4.521 0 40 GJAB CCC[C@H](NC(=O)COC(=O)/C=C/c1nc2ccccc2s1)c1ccccc1 5147207 YOGGIBNPRJRFGA-CLVCIHKQSA-N 394.496 4.510 0 40 GJAB CCc1cccc2sc(N(CCN(C)C)C(=O)CSc3ccccc3)nc12 5239619 ZGSXVUGBILSJJA-UHFFFAOYSA-N 399.585 4.546 0 40 GJAB CSc1cccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1 5508002 RLKSOJHRIAVQCG-UHFFFAOYSA-N 377.465 4.657 0 40 GJAB Cc1cccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c1 5752409 KVDWGVXYDSWQPF-HXUWFJFHSA-N 394.858 4.998 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nncn1-c1ccccc1OC 6082125 MKOPKTTXCYJJDX-OAHLLOKOSA-N 396.516 4.520 0 40 GJAB Cc1cc(C2=NN=C(Nc3ccc(F)cc3)SC2)c(C)n1Cc1ccco1 6886400 YQODNRCCDGZLDQ-UHFFFAOYSA-N 382.464 4.804 0 40 GJAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCCC1 8041345 XXWMMINNUSLTSU-UHFFFAOYSA-N 394.515 4.628 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Oc2ccc(F)cc2)cc1 8313461 QHFIBJXDCHFZPN-NRFANRHFSA-N 394.446 4.778 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Oc2ccccc2)cc1 8328606 TUQXLJKNRDDQSV-OAQYLSRUSA-N 376.456 4.639 0 40 GJAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)c1 8358127 JPYFWUUCQNNIFU-UHFFFAOYSA-N 388.467 4.806 0 40 GJAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1 9198940 NLLWDHMRFXWWFG-UHFFFAOYSA-N 389.480 4.853 0 40 GJAB COc1cccc(-c2nc([C@@H]3Nc4ccccc4C(=O)N3C3CC3)cs2)c1 9616642 CZAYCCAZUCXESX-LJQANCHMSA-N 377.469 4.548 0 40 GJAB CC(C)[C@@H](NC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccccc1 10261584 BSKZGBDWNRINHG-WIYYLYMNSA-N 376.504 4.849 0 40 GJAB O=c1c2c(C3CC3)csc2nc(SC[C@@H]2CCCO2)n1-c1ccccc1 11597768 MQAZNYRGDMVGCU-HNNXBMFYSA-N 384.526 4.596 0 40 GJAB c1csc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2ccncc2)c1 12144354 AJFDWLMJVJYEGK-UHFFFAOYSA-N 388.452 4.608 0 40 GJAB C[C@H]1CCCCN1C(=O)CSc1nc(-c2cccs2)nc2ccccc12 12424619 MYTVJMTWVLJYPP-AWEZNQCLSA-N 383.542 4.851 0 40 GJAB Cc1sc2nc(CN3CCCC3)nc(N[C@H]3CCOc4ccccc43)c2c1C 12601476 WTHAVTRZAMOJOU-KRWDZBQOSA-N 394.544 4.840 0 40 GJAB Cc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1C 12762838 KUNDBJJNSIWPSL-QHCPKHFHSA-N 376.525 4.951 0 40 GJAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(/C=C/c2ccccn2)c1 12768264 FUDOZMAUVGHJOU-VAWYXSNFSA-N 388.515 4.903 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCn1nc(-c2cccs2)oc1=O 12822730 MPOGCFZRMCEFHR-UHFFFAOYSA-N 399.516 4.840 0 40 GJAB C[C@H](NCC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1 12989080 YKGKQSMPFNCEOW-LBPRGKRZSA-N 389.883 4.892 0 40 GJAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)c(Cl)c1 13634747 KMRXSDLYVDOEOS-QGZVFWFLSA-N 388.254 4.805 0 40 GJAB CC(C)Cc1cc(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)n[nH]1 13726782 TXNWYPOQIGLLGO-UHFFFAOYSA-N 393.303 4.748 0 40 GJAB CN(Cc1ccc2ccccc2c1)C(=O)CCc1nc(-c2ccsc2)no1 14128535 NUUVALNGXXYKBM-UHFFFAOYSA-N 377.469 4.543 0 40 GJAB COc1ccc(CN(C(=O)c2ccc(OCC(C)C)c(OC)c2)C2CC2)cc1 14252227 RLRRRWCLMUJROQ-UHFFFAOYSA-N 383.488 4.543 0 40 GJAB CCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](/C=C/c1ccccc1)C3 14607777 YHTFFHZQSDBBIQ-KAUXGEHWSA-N 394.478 4.812 0 40 GJAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCC2)o1 15860469 WXVKNZJWWYXSKR-QGZVFWFLSA-N 386.879 4.863 0 40 GJAB Cc1cccc(C)c1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 17135779 JKKSPALLDLUSKW-UHFFFAOYSA-N 399.903 4.847 0 40 GJAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 18204721 MMVCSKZALNEQFG-QWHCGFSZSA-N 379.909 4.715 0 40 GJAB Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc3c(c2)ncn3C2CC2)n1 19663203 IXHWCLVGTGODGY-UHFFFAOYSA-N 396.494 4.917 0 40 GJAB O=C(Nc1ccccc1)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 22491900 YAKUIYUIWMPIEW-UHFFFAOYSA-N 392.890 4.652 0 40 GJAB CCN(CCCOc1ccccc1)CCN(CC)CCCOc1ccccc1 22581225 JREONKYQWZEBNH-UHFFFAOYSA-N 384.564 4.568 0 40 GJAB Cc1[nH]c2ccc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)cc2c1C 22766360 JJGVWNOIJJSSGO-UHFFFAOYSA-N 383.879 4.527 0 40 GJAB O=C(c1ccc(Cl)s1)N(CCn1cccn1)c1nc2ccccc2s1 23144670 KUPRLSGAMMYTGK-UHFFFAOYSA-N 388.905 4.555 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)NCCc1csc(-c2ccc(C)cc2)n1 27990424 SRGISRWJJMRRBI-LJQANCHMSA-N 398.503 4.774 0 40 GJAB C[C@@H](NC[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2)c1ccccc1 28296804 GSUDRDNINUXOFS-AEFFLSMTSA-N 382.935 4.885 0 40 GJAB C/C=C/C=C/C(=O)Nc1nc(-c2ccc(OC)c(Br)c2)cs1 30892516 BFPSRILDMKESFL-VNKDHWASSA-N 379.279 4.652 0 40 GJAB Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)c(C)s1 32532368 UOSAQJFMXFMCRZ-UHFFFAOYSA-N 380.716 4.582 0 40 GJAB CCn1cc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2CC)cn1 32604330 RLVLYZHXXHWEOY-UHFFFAOYSA-N 382.320 4.781 0 40 GJAB CN(C)[C@@H](CNC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccc1Cl 32988581 ZGUFFRUYRWVNON-FHLOFIBASA-N 395.374 4.637 0 40 GJAB Cc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccccc3)no2)cc1 33324934 RHGYDHPOOINIDQ-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB Cc1c(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cnn1-c1ccccc1F 40056884 GGCBEJFZACPTOT-OAHLLOKOSA-N 377.419 4.899 0 40 GJAB C[C@@H]1CC(=O)c2c(Oc3ncnc4c3cnn4-c3ccccc3)ccc(Cl)c21 40083136 FFTPQWVAXXAGDD-GFCCVEGCSA-N 390.830 4.951 0 40 GJAB O=C(CCn1ccc2c(Br)cccc21)Nc1ccc2[nH]ccc2c1 40309820 DISIHLOKXQLXNA-UHFFFAOYSA-N 382.261 4.914 0 40 GJAB biogenic O=S(=O)(Nc1c(Cl)cccc1Cl)c1ccc(Br)cc1 40413998 IDQSRZOKKPZFSV-UHFFFAOYSA-N 381.078 4.557 0 40 GJAB Cc1cc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)ccc1Cl 41024993 UEYUIZNMXCNKQB-UHFFFAOYSA-N 390.270 4.720 0 40 GJAB O=C(CC[C@H]1CCCO1)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 46332697 YIDPVDNJUVZHNJ-HSZRJFAPSA-N 392.543 4.525 0 40 GJAB CNC(=O)c1ccc(C)c(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c1 46644502 QSCQQPNHXGGRTK-INIZCTEOSA-N 384.545 4.819 0 40 GJAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(Cl)c1 49005505 FSCCHMDZXXGYNO-UHFFFAOYSA-N 386.858 4.956 0 40 GJAB CCCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc(C(C)C)s1 49548985 WDIIJXDGAYJCAB-UHFFFAOYSA-N 375.523 4.504 0 40 GJAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@H](C)C4)cc3)cc2c1 57712718 SQZJWWRIFFROTC-KRWDZBQOSA-N 391.515 4.775 0 40 GJAB CCc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)c1 64471744 NOEKWIOUMFJEOR-UHFFFAOYSA-N 377.513 4.730 0 40 GJAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353854 WEIGHWMXNSOFPO-JOCHJYFZSA-N 385.511 4.704 0 40 GJAB O=C(CCc1ccc2ccccc2c1)NC1CCN(c2cccc(F)c2)CC1 89878754 HCKMHYKKLGMOHZ-UHFFFAOYSA-N 376.475 4.697 0 40 GJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)/C=C/c1ccc(Cl)cc1Cl 95482203 MMVXHDQQOVNIRQ-CSKARUKUSA-N 388.254 4.715 0 40 GJAB FC(F)(F)c1ccnn1[C@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 95995422 SIHYUGVMFFXCFN-HNNXBMFYSA-N 392.450 4.863 0 40 GJAB O=C(Cc1ccsc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 96103534 ADDJYNQANLKXLR-UHFFFAOYSA-N 376.481 4.522 0 40 GJAB CCOC(=O)c1sc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1C 102978585 JNMCIDQQXHBCRK-NYYJTOMGSA-N 381.925 4.750 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 222887621 TXUWBNNSJXCWJA-JOCHJYFZSA-N 394.515 4.671 0 40 GJAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(Cl)cc1 224165000 WBVHOTWMNRPJGY-UHFFFAOYSA-N 399.849 4.997 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COC(C)C 224424652 RUQPNYUQCFYUAQ-UHFFFAOYSA-N 378.266 4.635 0 40 GJAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C 224461355 LKSUFVZLDUQBFD-VQTJNVASSA-N 396.947 4.867 0 40 GJAB COc1cccc(-c2cnc(CCC(=O)Nc3ccccc3C(F)(F)F)o2)c1 224846490 SIIAWULHDGVNTG-UHFFFAOYSA-N 390.361 4.940 0 40 GJAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CN2CCCCCC2)cc1 225266785 SQMMDBCXWZNSQD-UHFFFAOYSA-N 392.528 4.833 0 40 GJAB CCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCC[C@@H](C)C1 225831488 FIHGGMBYMASEJW-ZMPRRUGASA-N 391.508 4.574 0 40 GJAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@H]3C)cc2N1 257283498 OYPLQCHMGHNCQG-BIYBGRMPSA-N 398.473 4.536 0 40 GJAB COc1ccc(CC(=O)O)cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 257305470 SQEQNUMZMYHDJY-UHFFFAOYSA-N 382.435 4.648 0 40 GJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)n1 257310000 UDHGYTHGEQJTMD-XUTJKUGGSA-N 392.547 4.817 0 40 GJAB CC(C)n1nccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257312401 UNUVIKFGBDYFBT-IBGZPJMESA-N 396.466 4.549 0 40 GJAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4F)OCC[C@@]31C2 257315666 VCIMCPPOGYPSTI-YKRPYPKWSA-N 389.511 4.633 0 40 GJAB CCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)c1cccnc1C(F)(F)F 574780311 NSIYKVOOUZWTGH-GFCCVEGCSA-N 398.406 4.618 0 40 GJAB COc1ccc(-c2nc(O)c3c(n2)Oc2ccc4ccccc4c2C3)cc1OC 585148658 JLTIAXODPLJWFG-UHFFFAOYSA-N 386.407 4.716 0 40 GJAB CCOc1ccc(Oc2ccccc2NC(=O)N2CC[C@]3(CCCOC3)C2)cc1 665204767 PAGCMHVQIKKKLL-HSZRJFAPSA-N 396.487 4.912 0 40 GJAB O=C1C[C@@H]2CCN(CCCc3ccccc3)C[C@@H]2CCOc2ccc(F)cc2N1 1534646754 SYQKADSUDJNZHY-PMACEKPBSA-N 396.506 4.508 0 40 GJAB Cc1cc(CN(C)C[C@@H](O)CCc2ccccc2)cc(C)c1OCC(F)(F)F 1657028139 KAGLSZRHCIUNFZ-FQEVSTJZSA-N 395.465 4.670 0 40 GJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 658128 MOWWRHVSTOOEOG-OAHLLOKOSA-N 386.542 4.657 0 40 GJAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1Nc1ccccc1 704064 BMWWIGCYWLGGJJ-UHFFFAOYSA-N 384.388 4.650 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 828838 LTDYRLXLJOEWFR-QGZVFWFLSA-N 390.270 4.568 0 40 GJAB O=C(Nc1cccc(NC(=O)c2cccnc2Cl)c1)c1ccccc1Cl 1418817 IGICGQNUBXRYRB-UHFFFAOYSA-N 386.238 4.893 0 40 GJAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)OCC(=O)c1ccccc1 2078151 XGWHTYJPCMIFIF-UHFFFAOYSA-N 387.435 4.558 0 40 GJAB CC1(C)Cc2nc3sc4c(OCc5ccccc5)ncnc4c3cc2CO1 2253205 RTPOMZQZYPJIGO-UHFFFAOYSA-N 377.469 4.670 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(Cc1ccco1)C3=O 2440095 DUXITLWMNVUUFO-HXUWFJFHSA-N 389.382 4.579 0 40 GJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 2738419 RFBIZUBHMFJOBS-ZDUSSCGKSA-N 388.508 4.780 0 40 GJAB Cc1ccc(C)c(NC(=O)OCCNC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 3087647 CNAINYWIMFQXLD-CZUORRHYSA-N 399.318 4.559 0 40 GJAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 3256217 QBYYIINLXCRZSB-QMMMGPOBSA-N 384.244 4.756 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 4031526 NBLGYWQJRIYWRA-UHFFFAOYSA-N 389.274 4.834 0 40 GJAB C[C@H]1CCCN(C(=O)Nc2cccc(NC(=O)N3CCC[C@H](C)[C@H]3C)c2)[C@H]1C 4399811 SMTHNRGBDWWTEJ-XLAORIBOSA-N 386.540 4.991 0 40 GJAB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N[C@@H]1CCCc2ccccc21 4602267 HHLWYPFREURVHQ-SCLBCKFNSA-N 397.475 4.550 0 40 GJAB CCOC(=O)c1ccc(Cl)c(NC(=O)COc2ccc3ccccc3c2)c1 4666551 QFQBAPRDRJVAGU-UHFFFAOYSA-N 383.831 4.687 0 40 GJAB FC(F)(F)c1cc(-c2cccs2)nc(N2CCN(c3ccccc3)CC2)n1 4734336 VBWYBVXCDMBXHJ-UHFFFAOYSA-N 390.434 4.551 0 40 GJAB COc1ccc(CNc2c(-c3ccccc3O)nc3ccc(Cl)cn23)cc1 4848484 ILOSRQHQROFJSH-UHFFFAOYSA-N 379.847 4.981 0 40 GJAB CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccoc1C 4860664 QHCLBPVVHKTIBW-UHFFFAOYSA-N 390.896 4.641 0 40 GJAB CCCCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccc(F)cc3)c(=O)c2c1 4861038 KBQRTZZVMISZFN-UHFFFAOYSA-N 393.462 4.590 0 40 GJAB COc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1 4941120 XHXVHNCPAWDRAG-UHFFFAOYSA-N 392.846 4.643 0 40 GJAB CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 5249617 JHAVFEXJDCSZAO-OAHLLOKOSA-N 388.471 4.728 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(Cl)c(Cl)cc1Cl 5375322 XLRKREWLKFGRQN-OAHLLOKOSA-N 388.634 4.945 0 40 GJAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccccc1-c1ccccc1 6097672 OLONTQBUIBWJFD-INIZCTEOSA-N 392.528 4.791 0 40 GJAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2sc3ccccc3c2Cl)[C@@H]1C 6586341 BAUGPNHZCJAPMM-BZPMIXESSA-N 379.909 4.652 0 40 GJAB CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(Nc2ccccc2)s1 6598477 RIDXFBLYFNZWEI-UHFFFAOYSA-N 398.557 4.811 0 40 GJAB CC(=O)c1cccc(OCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c1 6832950 BFJKPYCWKYUDCL-UHFFFAOYSA-N 394.496 4.955 0 40 GJAB O=C1CCCN1c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 7612785 CFNMICDBCBPIIF-UHFFFAOYSA-N 381.439 4.562 0 40 GJAB Fc1ccccc1-c1nnc(SCc2ccc(-n3cccn3)cc2)n1C1CC1 8324303 APNIZHFMUMJYQR-UHFFFAOYSA-N 391.475 4.897 0 40 GJAB COc1ccc(-n2ccnc2S[C@@H](C)c2nnc(-c3ccccc3)o2)cc1 8725357 RZYXUAMLLUOHMX-AWEZNQCLSA-N 378.457 4.784 0 40 GJAB CCc1ccc([C@@H](NCC(=O)NCCc2nc3ccccc3s2)C(C)C)cc1 8728059 MTBSNIWGVJYVRW-QHCPKHFHSA-N 395.572 4.504 0 40 GJAB Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2NC(=O)c3ccccc3N2)c1 9639062 GYECQNVATXWDFG-DEOSSOPVSA-N 394.478 4.761 0 40 GJAB CCN(Cc1cccc(F)c1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 9791985 MHZIBTFYXCAIHG-OAQYLSRUSA-N 386.467 4.526 0 40 GJAB O=C(/C=C/c1ccc(Br)cc1)N1CCc2[nH]c3ccccc3c2C1 9901251 DZXNGPTYGOGGRI-JXMROGBWSA-N 381.273 4.529 0 40 GJAB Cc1ccc(CC(=O)Nc2nc3ccc(Br)cc3s2)cc1C 10702434 ZPHVJBNAPZMSPH-UHFFFAOYSA-N 375.291 4.857 0 40 GJAB Cc1ccc2nc(COc3cccc(C(=O)Nc4cccc(F)c4)c3)cn2c1 11608668 MDBVAHNSEMDZDN-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB CC(=O)c1cccc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)c1 11902562 PISRPYYJPJNBIT-UHFFFAOYSA-N 379.416 4.657 0 40 GJAB CCc1ccc(OCC(=O)N(Cc2cccs2)c2ccc(OC)cc2)cc1 11916519 LJONZPHPZXNCED-UHFFFAOYSA-N 381.497 4.931 0 40 GJAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2nn(-c3ccccc3)nc2c1 12857674 QPSPFNNYCJUDBG-UHFFFAOYSA-N 386.499 4.966 0 40 GJAB Cc1ccc(CCC2CCN(CCC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 15520296 IZXHKYMOFKDPQV-NRFANRHFSA-N 378.560 4.907 0 40 GJAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1SC 18702123 JOTVLLKGUAHIPB-UHFFFAOYSA-N 383.439 4.921 0 40 GJAB CC1=C(C(=O)OC(C)(C)C)C(c2ccc(C)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 19594049 QMPGXLIMOZMTFY-UHFFFAOYSA-N 399.531 4.913 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccccc2Cl)ccc1Cl 20460363 WXBJYICQFWGWBC-INIZCTEOSA-N 396.270 4.966 0 40 GJAB Cc1cc(Cl)ccc1Nc1nc(NCc2ccccc2)nc2c1cnn2C 21873464 YTFBHYCJDVSJBF-UHFFFAOYSA-N 378.867 4.681 0 40 GJAB C[C@H](NC(=O)c1occc1COc1ccccc1)c1ccc(OC(F)F)cc1 23054022 DQYKTWGKLWTXAP-AWEZNQCLSA-N 387.382 4.951 0 40 GJAB Cc1cc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)c(C)s1 25874831 PYVQBMIWTDDMLD-UHFFFAOYSA-N 383.585 4.879 0 40 GJAB C[C@@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1cccc2ccccc12 26246727 ZMKNBHCKSPZYMO-UTKZUKDTSA-N 375.468 4.889 0 40 GJAB Cc1nn(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C)c1Br 27924643 KUWJVISVQYTYRP-UHFFFAOYSA-N 388.240 4.643 0 40 GJAB COc1cccc(Cn2cc(NC(=O)c3cccc(Oc4ccccc4)c3)cn2)c1 28220849 IBHARYIYYADLAB-UHFFFAOYSA-N 399.450 4.985 0 40 GJAB Cc1sc2ncnc(OCc3ccc4c(c3)OCO4)c2c1-c1ccccc1 28616794 GPBCGPQRXQHETF-UHFFFAOYSA-N 376.437 4.974 0 40 GJAB CCc1cccc2c(C3=CCN(C(=O)c4cc5ccccc5oc4=O)CC3)c[nH]c12 32754298 ZLTOZJAZCLEPHS-UHFFFAOYSA-N 398.462 4.766 0 40 GJAB O=C(Cc1noc2ccccc12)Nc1ccc(NC(=O)Nc2ccccc2)cc1 32904209 HNHFITJCKYXDPT-UHFFFAOYSA-N 386.411 4.653 0 40 GJAB Cc1cc(C)n(-c2ccc(Nc3nc(C(F)(F)F)nc4ccccc34)cn2)n1 32916219 HLWGFIAWZUPRAV-UHFFFAOYSA-N 384.365 4.590 0 40 GJAB CCOP(=O)(OCC)[C@H](O)/C=C(/Cl)c1ccc(Br)cc1 33373983 NDYNANDUTQNCTO-SRXBQZRASA-N 383.606 4.613 0 40 GJAB O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1ccc2ncsc2c1 35586433 QZFWFFMUUVDBHY-UHFFFAOYSA-N 397.268 4.967 0 40 GJAB COc1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3cccc(C)n23)c1 35616333 NHSSREBXZCNCHO-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@]3(C)CC3(Cl)Cl)cc2)n1 36799569 RBNFPPMRRKLKGS-MRXNPFEDSA-N 382.316 4.767 0 40 GJAB C[C@@H]1C[C@H](OC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C(=O)O1 40012291 BJHLYRQLSPNXTM-BZNIZROVSA-N 393.411 4.606 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 40052570 VFXZTUADJHKVPA-SFGWALBWSA-N 397.563 4.746 0 40 GJAB Cc1cccc(-n2ncc(C(=O)O[C@H](c3ccccc3)c3ccncc3)c2C)c1 48368859 XFSICJFUQBJJIY-HSZRJFAPSA-N 383.451 4.831 0 40 GJAB CNc1nc2c(s1)[C@H](c1ccc(OC)c(OCc3ccccc3)c1)CC(O)=N2 61719820 FHNSWIJDJNFUJA-HNNXBMFYSA-N 395.484 4.896 0 40 GJAB O=C(CSc1ncnc2c(-c3cccc(F)c3)c[nH]c12)Nc1ccccc1F 71328162 JTCNJZKHIACFQF-UHFFFAOYSA-N 396.422 4.634 0 40 GJAB COc1ccc(CN2CCC[C@H](c3cccc(-c4cccc(CO)c4)n3)C2)cc1 72348597 NHFOECKMRASVEC-QFIPXVFZSA-N 388.511 4.629 0 40 GJAB COc1cc(CNc2cnn(-c3ccccc3F)c2C)cc(Cl)c1OC 95455354 CWMGYEYDQABHPQ-UHFFFAOYSA-N 375.831 4.603 0 40 GJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3C)CC2)n1 100739103 RRBUUIJRULOWSN-IZBJGVDFSA-N 392.547 4.708 0 40 GJAB COc1cccc(C(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1 101096602 HXMNXCZYOUHRKF-UHFFFAOYSA-N 392.455 4.799 0 40 GJAB Cc1cccc(-c2cncc(C(=O)Nc3ccc(C)nc3Br)c2)c1 128235122 WBZCMSQBDAGBHM-UHFFFAOYSA-N 382.261 4.775 0 40 GJAB COc1cc(CNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1OC(C)C 219022810 GZESHMUNNKFJOK-QGZVFWFLSA-N 393.483 4.719 0 40 GJAB COc1ccc(/C=C(/C(=O)NCCc2ccc(F)cc2)c2ccccc2)cc1 223427548 BSULGBKUMNKYEM-HAVVHWLPSA-N 375.443 4.734 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cccc(C)c1 224111672 GODITZLFKTVBBJ-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 224633063 IFRLWWKEBMAKAY-QHCPKHFHSA-N 394.559 4.507 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 225479514 DYWXUQUNAHOXOH-REWPJTCUSA-N 394.559 4.568 0 40 GJAB Cc1cc(OC[C@@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)C2)cc(C)c1Cl 257219580 DHHXERCDPWTJRH-HSZRJFAPSA-N 398.934 4.844 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1Cl 408639255 FJLLSHBPNAWTIW-INIZCTEOSA-N 378.859 4.793 0 40 GJAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCCCCC2)cc1 408675300 HIIYKNGTAXBMCR-UHFFFAOYSA-N 390.483 4.590 0 40 GJAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 408709319 ZLZPIXJNWKJPIT-HDYDNRTBSA-N 384.564 4.768 0 40 GJAB CC1CCN(C(=S)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 408721110 CWVQEGLFPVQTOJ-UHFFFAOYSA-N 388.920 4.988 0 40 GJAB COc1cnc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c(F)c1 1197810138 ARKLGMSSQLZKLE-UHFFFAOYSA-N 379.416 4.758 0 40 GJAB COc1ccc(C)cc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615159169 NXOGDOKUNSJYTK-UTKZUKDTSA-N 396.506 4.662 0 40 GJAB COc1cc(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2C)ccn1 1671727926 ZCGKCCLXNWFZLN-INIZCTEOSA-N 390.281 4.530 0 40 GJAB Cc1ncc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1Br 2297735878 DRWNVACFYZVGOE-UHFFFAOYSA-N 387.274 4.829 0 40 GJAB Cc1ccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 992732 JFTSQYFWVOCOEL-UHFFFAOYSA-N 388.419 4.562 0 40 GJAB Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2c(C)cccc2C)s1 1342225 HIMRMWCHJCGPRO-UHFFFAOYSA-N 384.545 4.769 0 40 GJAB CSc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1-c1ccccc1 1417892 FFQJMFHPTKMSJW-UHFFFAOYSA-N 379.272 4.548 0 40 GJAB O=C(COC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccc1 1433011 JVYMTPZWGWZDBA-DLBZAZTESA-N 377.465 4.772 0 40 GJAB Cc1ccc(C(=O)Nc2cccc(OC(=O)COc3ccc(C)c(C)c3)c2)cc1 1433918 KBFDAEXPDJOJHP-UHFFFAOYSA-N 389.451 4.849 0 40 GJAB COc1ccc([C@H]2CC(=O)n3nc(-c4cccc5ccccc45)nc3S2)cc1 2320776 SMYIYGFCVXFVHN-LJQANCHMSA-N 387.464 4.984 0 40 GJAB COc1ccc([C@@H]2c3ccsc3CCN2C(=O)c2cccnc2Cl)cc1 2567064 ODFPEHGYIYUKIK-GOSISDBHSA-N 384.888 4.593 0 40 GJAB O=C(Nc1ccc(Cl)cc1F)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 2651686 JWYSDKKMNZURTJ-UHFFFAOYSA-N 394.789 4.532 0 40 GJAB CCc1ccc(CN(C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 2662076 ZPIYFTXGRCDUBX-UHFFFAOYSA-N 386.495 4.551 0 40 GJAB CCc1cccc(C)c1N(C(=O)COc1ccc(Cl)cc1C)[C@@H](C)COC 3106439 RBVVGQLXVUPCEE-KRWDZBQOSA-N 389.923 4.966 0 40 GJAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc2ccccc2c1 3131208 JRXFLEPBYPBHIO-WQRHYEAKSA-N 378.225 4.947 0 40 GJAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3276325 VTGRCUBJMFQLIU-QMMMGPOBSA-N 388.634 4.536 0 40 GJAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cccc2ccccc12 3307691 LSFHFURZJPAHOG-UHFFFAOYSA-N 386.451 4.826 0 40 GJAB C/C=C/c1ccc(OCC(=O)Nc2cc(C)c(Cl)cc2OC)c(OC)c1 3347452 CMSOGFQPCLIQNB-AATRIKPKSA-N 375.852 4.716 0 40 GJAB CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccco2)c2c[nH]c3ccccc23)cc1 3427745 KJGMDBWBRPSZEP-DGXIYAMASA-N 399.494 4.788 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5OC(=O)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@H]32)C1 4023301 OWDSQNAIMXYQHD-AFHOKOJMSA-N 386.532 4.669 0 40 GJAB biogenic CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1ccccc1 4571465 TUKAMVCXJFVPBW-QHCPKHFHSA-N 398.572 4.941 0 40 GJAB COc1ccc2nc3sc(C(=O)N4c5ccccc5C[C@H]4C)c(N)c3cc2c1 4848775 JPOBOLZLRCMERF-GFCCVEGCSA-N 389.480 4.632 0 40 GJAB CCN1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2Cl)CC1 6241928 STRHHANJMZOPQL-UHFFFAOYSA-N 393.918 4.887 0 40 GJAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cccc2c(Br)cccc12 6495593 QBPQJVSZDLMOBE-UHFFFAOYSA-N 394.224 4.961 0 40 GJAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 6570314 BSXQNDXBDANCON-MRXNPFEDSA-N 397.544 4.591 0 40 GJAB CCOc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1cccnc1)=N2 6601947 MNMCTWSHKAJRNQ-UHFFFAOYSA-N 376.847 4.568 0 40 GJAB COc1ccc2c(CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)coc2c1 7742983 AMRHBVYVSQCAAL-UHFFFAOYSA-N 396.443 4.809 0 40 GJAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1F 8071494 XTCHMCJMXZYVLX-UHFFFAOYSA-N 387.414 4.939 0 40 GJAB COc1ccc(N(Cc2cccs2)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 8133547 RDHNCFKTAUCKAG-HXUWFJFHSA-N 393.464 4.592 0 40 GJAB Cc1cc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)on1 8156895 LCCDQPKMBYNANQ-UHFFFAOYSA-N 380.448 4.721 0 40 GJAB CC(=O)c1ccc(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 8388771 IESKSZZRHZJYHP-YADARESESA-N 387.479 4.871 0 40 GJAB O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S)Nc1ccccc1 8436416 ITWLKPVQGRVEDA-UHFFFAOYSA-N 386.480 4.709 0 40 GJAB CCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 8477053 VKKAHVDYEFOEEX-UHFFFAOYSA-N 389.286 4.689 0 40 GJAB Cc1cccc(-c2noc(CN(C(=O)c3ccc(OC(C)C)cc3)C(C)C)n2)c1 8570347 VZBULPCORVZGIR-UHFFFAOYSA-N 393.487 4.883 0 40 GJAB Cc1ccc(-c2nnc([C@@H](C)N(C)CC(=O)Nc3c(C)cc(C)cc3C)o2)cc1 9052400 IZYORRJFMOTMIB-GOSISDBHSA-N 392.503 4.602 0 40 GJAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(F)cc1 9191634 RBYYNDRTLKOMAI-GOSISDBHSA-N 385.442 4.744 0 40 GJAB O=C(CCc1ccccc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 10457894 JXUBQEWNFBERSY-UHFFFAOYSA-N 392.886 4.841 0 40 GJAB Cc1ccc(OCCC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)c(C)c1 12544528 QUSAJUWUXQRBDA-OAHLLOKOSA-N 387.430 4.695 0 40 GJAB CCc1ccc([C@@H](NCc2cc(=O)n3cc(C)ccc3n2)c2cccs2)cc1 12803243 PGBHIRRYWRJUBC-HSZRJFAPSA-N 389.524 4.506 0 40 GJAB COc1ccc(OCCSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)cc1 12854660 VUDMKHDTQXFHDB-CYBMUJFWSA-N 390.436 4.528 0 40 GJAB COc1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc(OC)c1OC 12977417 DQISBBKULRBYFL-UHFFFAOYSA-N 387.819 4.878 0 40 GJAB COc1ccc([C@H](CNC(=O)/C=C/c2ccccc2Cl)N2CCCCC2)cc1 13095744 RVWLQZYHMQTCHG-FZNBYNMYSA-N 398.934 4.705 0 40 GJAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)c1 13710352 XGSGJNLIXZZORZ-MRXNPFEDSA-N 377.937 4.774 0 40 GJAB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)NCc1cccs1 13897848 JJTBOUWQZIXTRW-UHFFFAOYSA-N 390.508 4.976 0 40 GJAB CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 16741937 DVXVHXSZYJKZAK-OAQYLSRUSA-N 382.419 4.500 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)C(=O)NCCc2ccc(C(C)C)cc2)c(C)c1 17125786 LEHDGZVIDOLZDW-UHFFFAOYSA-N 395.547 4.558 0 40 GJAB O=C(Cn1cnc2cc(Cl)ccc2c1=O)c1ccc2c(c1)-c1ccccc1C2 17735228 VCHKQLXSOGQCNB-UHFFFAOYSA-N 386.838 4.504 0 40 GJAB COc1cc2c(cc1OC)CN(Cc1c(C3CCCC3)[nH]c3ncccc13)CC2 19550731 WAJWKVFBSFHUHR-UHFFFAOYSA-N 391.515 4.796 0 40 GJAB COc1cc([C@@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)ccc1O 20851381 VEOGJBJZTAQPHQ-AWEZNQCLSA-N 398.256 4.791 0 40 GJAB Cc1cccn2cc(COc3ccc(C(=O)N(C)Cc4ccsc4)cc3)nc12 22694494 LGHCTASGEJVXDR-UHFFFAOYSA-N 391.496 4.555 0 40 GJAB O=C(Nc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1)c1ccccc1 23055420 IFCZJAHTAIJPKQ-FUHWJXTLSA-N 390.405 4.790 0 40 GJAB Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 23741970 BYSAWDYTUOFHEU-JOCHJYFZSA-N 393.918 4.764 0 40 GJAB COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(-c2ccc(F)cc2)s1 24980565 GUTJSNIWSQKVPU-UHFFFAOYSA-N 395.455 4.934 0 40 GJAB Cc1ccc(Cn2ncc3c(C(=O)Nc4ccc(C)c(F)c4)cc(C)nc32)cc1 32784575 QSPXEFCRLVFSMP-UHFFFAOYSA-N 388.446 4.796 0 40 GJAB COc1ccc(CN(C)[C@H](C(=O)Nc2ccccc2)c2ccccc2)cc1F 32851019 MXZBJCBOEBXBCH-QFIPXVFZSA-N 378.447 4.646 0 40 GJAB Clc1ccc2c(N3CCN(Cc4csc5ccccc45)CC3)ncnc2c1 32853510 PONBFZDGZFRFPW-UHFFFAOYSA-N 394.931 4.820 0 40 GJAB CCn1nc(C)c2c(C(=O)Nc3ccc(N4CCCCCC4)cc3)cc(C)nc21 36615911 BBGQQEAEEVIDDD-UHFFFAOYSA-N 391.519 4.701 0 40 GJAB COc1cc(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc(OC)c1OC 40096202 JNODNYFPQNUOEO-GFCCVEGCSA-N 378.856 4.591 0 40 GJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 40110557 JHHMGAIMKTXFEG-UHFFFAOYSA-N 398.894 4.618 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1Cl 44884868 XLGCNMBHEVEVHJ-ZDUSSCGKSA-N 377.893 4.777 0 40 GJAB O=c1[nH]c(Nc2cccc(C(F)(F)F)c2)nc2nccc(-c3ccccc3)c12 57531083 SBDPHWDQUYGVON-UHFFFAOYSA-N 382.345 4.748 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccco4)o3)c3ccccc3n2)o1 57778926 AGCJFEILAACDKN-UHFFFAOYSA-N 386.367 4.699 0 40 GJAB CSc1cccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 64334825 YGPPABAWZTXSFD-JTQLQIEISA-N 376.532 4.591 0 40 GJAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCCC2)cc1OC 71284446 BKGYDVOMYHKOPY-GOSISDBHSA-N 387.505 4.997 0 40 GJAB O=C(Cc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72349009 GKMRQWGYXRAAGG-NRFANRHFSA-N 388.486 4.760 0 40 GJAB O=C(Cc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72349010 GKMRQWGYXRAAGG-OAQYLSRUSA-N 388.486 4.760 0 40 GJAB COc1cccc(CNc2ccc(C(=O)O)cc2)c1OCc1ccc(C)cc1 95472050 KKJILQFYRRNYBA-UHFFFAOYSA-N 377.440 4.893 0 40 GJAB CCCCO[C@@H](C)C(=O)Nc1ccc(CN(C[C@@H]2CCCCO2)C(C)C)cc1 95986092 KQBRXJUZBGILMS-UGKGYDQZSA-N 390.568 4.610 0 40 GJAB O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344083 HKCQHUTUCJWUMD-QFIPXVFZSA-N 394.559 4.930 0 40 GJAB CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 98073357 GLUZDOWXORIHKR-UHFFFAOYSA-N 386.286 4.687 0 40 GJAB Cc1ccc(C2=C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1C 101100862 GILUOIQUSCSCDS-SFHVURJKSA-N 381.277 4.713 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 222854105 SHNMHLFKGHPJOF-MRXNPFEDSA-N 375.896 4.563 0 40 GJAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc2c1CCCC2 223447801 SCFXBIXROAIYRH-FQEVSTJZSA-N 379.500 4.671 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCCOc2ccc3ccccc3c2)cc1 223639765 MBKANDKRGKZADK-HSZRJFAPSA-N 377.484 4.755 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc2ccccc2c1 223640185 DXAXTQOUXXZMNQ-QHCPKHFHSA-N 377.484 4.809 0 40 GJAB Cc1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1NS(C)(=O)=O 224087359 ZTHCMUJJWJLOKW-UHFFFAOYSA-N 394.452 4.518 0 40 GJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1C 224264375 NMDFOKSTLVUYJB-FCHUYYIVSA-N 390.556 4.831 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(CN3CCCC3)cc2)c1 224516411 QCDWMMZCQMVTTP-FQEVSTJZSA-N 394.559 4.798 0 40 GJAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(Cl)cc1Cl 225799672 VEGLIRVYNKCGDE-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB Cc1cc(C)nc(Nc2ccccc2C(=O)N[C@H](C)c2ccc(Cl)cc2)n1 225916764 GJUDKCQJXHGGFA-OAHLLOKOSA-N 380.879 4.981 0 40 GJAB S=C(NCCCc1ccccc1)Nc1nc(Cl)cc(Oc2ccccc2)n1 225967126 IPWYBRZSZNHVJY-UHFFFAOYSA-N 398.919 4.842 0 40 GJAB COc1ccc(NC(=O)c2ccc(-c3ccccc3Br)o2)c(N)c1 226348040 CHTBOLRIPXXMPV-UHFFFAOYSA-N 387.233 4.552 0 40 GJAB Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)nc1 257242546 IDBCDMNVFOCBPE-BGVYSJOJSA-N 387.483 4.773 0 40 GJAB CC[C@@H](C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1 257257948 KRSXWGOFIWRENI-QGZVFWFLSA-N 399.506 4.755 0 40 GJAB CSc1ncc(/C=C/C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cn1 408533442 QZAHUGDTYIABPQ-GORDUTHDSA-N 397.312 4.767 0 40 GJAB CC[C@@H](C)N1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O 409013362 NCXVLNISWFTIKM-VWJVTLSUSA-N 390.686 4.643 0 40 GJAB Cc1ccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@@H]3[C@@]2(O)C(F)(F)F)cc1 409097273 MXIKOOFOISRKOL-YZVOILCLSA-N 382.426 4.520 0 40 GJAB O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)C1(C(F)(F)F)CCOCC1 611833740 WGDQRPHAYBMDLU-UHFFFAOYSA-N 395.425 4.908 0 40 GJAB CC1(c2cc(NC(=O)N[C@H](Cc3ccccc3)c3ncco3)no2)CCCC1 654055103 ZONCKWXORLKACW-MRXNPFEDSA-N 380.448 4.600 0 40 GJAB CCOc1ccc(Oc2ccc(NC(=O)N3C[C@H]4CC[C@H]3[C@@H](CO)C4)cc2)cc1 665203205 AASOEUZZWCJWFQ-JKSBSHDWSA-N 396.487 4.502 0 40 GJAB C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1cccc(C(F)(F)F)c1 1565552787 XFLYUJVDRLTUJC-YSSFQJQWSA-N 388.433 4.642 0 40 GJAB Cc1cc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)ccc1F 1615130779 ZSXKRTIQLGFZOD-QHCPKHFHSA-N 384.470 4.937 0 40 GJAB Cc1cc(C)cc(C2=CCN(C(=O)N[C@H](C)c3ccc4nc(O)oc4c3)CC2)c1 1637358990 NTVLKYLVOIYCIN-MRXNPFEDSA-N 391.471 4.710 0 40 GJAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4cc(F)ccc4F)c(N)c3cc2C1 661803 LXYGTPFDKDHZKR-SNVBAGLBSA-N 387.455 4.924 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cc(F)c(F)cc2Cl)sc2c1CCCC2 997998 IFWLCYHZSUQPAG-UHFFFAOYSA-N 399.846 4.988 0 40 GJAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C)C3 1302031 UVENCBRGWONTAN-LBPRGKRZSA-N 386.542 4.693 0 40 GJAB COc1ccc(NC(Nc2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1 1603552 RMQXIAPIIKGJMU-UHFFFAOYSA-N 375.683 4.924 0 40 GJAB CCCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(C)cc1 2461065 USXMXPQKACWDRF-UHFFFAOYSA-N 377.487 4.968 0 40 GJAB CCn1nc(C)c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1C 2769674 SMSXNTYZRSDJIF-UHFFFAOYSA-N 385.471 4.625 0 40 GJAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccccc1Cl 3245914 WXXFWDYVXQHEJU-UHFFFAOYSA-N 379.869 4.875 0 40 GJAB CCOc1ccc(-c2nc(COC(=O)c3cccnc3SC)cs2)cc1 3456796 POZXDCWVIFTSGB-UHFFFAOYSA-N 386.498 4.683 0 40 GJAB CC(C)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C(C)(C)C)cc1 4732499 KJQONNXQCLLZLL-UHFFFAOYSA-N 377.492 4.762 0 40 GJAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1cc(OC)ccc1OC 4849326 QQXLDWTZPLVZEJ-UHFFFAOYSA-N 396.512 4.854 0 40 GJAB Cc1cccc(-c2nnc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn23)c1 5185149 GWBLGZQLHXDVNO-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB O=C1C[C@@H](c2ccccc2)CC2=NNC(c3ccc(Br)cc3)=C[C@@H]12 5279828 AFCNKNFHNUDTKV-DOTOQJQBSA-N 381.273 4.512 0 40 GJAB CCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5428292 FOEWOVDSUXQZCV-IIYMCBDZSA-N 386.532 4.799 0 40 GJAB CC[C@H](C)Cn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 5455059 VQVTVPLYBOPDBM-IRXDYDNUSA-N 377.488 4.612 0 40 GJAB CCC(=O)Nc1ccc(N2C(=O)[C@H](C)S[C@@H]2c2ccc(SC)cc2)cc1 5791926 BOKWYJCVHYXEFI-RNODOKPDSA-N 386.542 4.924 0 40 GJAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3ccccc3)n2)cc1 6086143 KRCSWKJBHNKCIU-AWEZNQCLSA-N 380.469 4.557 0 40 GJAB CCc1ccc(OC(C)(C)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 6646008 DQRAMIQLZWRYDZ-WSDLNYQXSA-N 379.287 4.864 0 40 GJAB COc1ccc(OC)c(/C=C/C(=O)Oc2ccc(Cl)cc2Br)c1 6646593 LSBCPLCXYPMFPZ-FPYGCLRLSA-N 397.652 4.739 0 40 GJAB CCOc1ccccc1C[C@H]1SC(=O)N(Cc2ccccc2Cl)C1=O 6965327 ZMJFTOWJACBUGK-QGZVFWFLSA-N 375.877 4.545 0 40 GJAB COc1ccc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)cc1OC 8903878 FKURKLCKMVCNAF-UHFFFAOYSA-N 388.423 4.693 0 40 GJAB COc1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccs4)cc3o2)cc1 9660291 ZOQCEBSHJOQAPS-UHFFFAOYSA-N 377.421 4.782 0 40 GJAB biogenic Cc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C 10009796 PSXWPGLPRGTUHX-LJQANCHMSA-N 386.495 4.976 0 40 GJAB O=C(c1ccc(Cn2cccn2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 10372633 MWIKUCQRCNXEEA-LJQANCHMSA-N 388.496 4.518 0 40 GJAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cccnc1SC(F)F 11286922 SPNZBSSZFJMNDX-UHFFFAOYSA-N 376.384 4.717 0 40 GJAB C[C@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1cccc(C(F)(F)F)c1 12523273 YZRKOOOZXPEXCP-ZDUSSCGKSA-N 386.377 4.730 0 40 GJAB O=C(NCc1ccccc1)c1ccccc1NCc1cn2cc(Cl)ccc2n1 12550435 BFVAQVRRVPUUMM-UHFFFAOYSA-N 390.874 4.530 0 40 GJAB C[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(Cl)cc1 12628367 GMGWRGNSDGVJNG-CYBMUJFWSA-N 396.903 4.691 0 40 GJAB COc1ccc([C@H]2CCCN2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)cc1 12810758 HUGRYXWNYAPZCX-HXUWFJFHSA-N 394.544 4.730 0 40 GJAB COc1cc(NC(=O)CN(C)Cc2ccc3ccccc3c2)c(OC)cc1Cl 12871695 GUSSQVLBFXBLHB-UHFFFAOYSA-N 398.890 4.581 0 40 GJAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c(F)c1 12928143 CUAMJLQSQOOIHL-QFIPXVFZSA-N 380.488 4.782 0 40 GJAB CC[C@@H](CNC(=O)c1ccccc1NC(=O)c1ccsc1)c1ccccc1 12985037 FUCTVYRWJGHMKB-INIZCTEOSA-N 378.497 4.924 0 40 GJAB CCOc1ccccc1NC(=O)CN1CCCCC[C@H]1c1ccc(OC)cc1 12989919 GSYDAPKLYFEQJX-NRFANRHFSA-N 382.504 4.650 0 40 GJAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(N2CCCC2=O)c1 12998305 ANSYJBGYPDEBIU-UHFFFAOYSA-N 397.887 4.843 0 40 GJAB Cc1ccn2cc(-c3cccc(NC(=O)c4cc5ccccc5oc4=O)c3)nc2c1 13138509 JHPLHXPLNXINLU-UHFFFAOYSA-N 395.418 4.668 0 40 GJAB Cc1csc(-c2nc(NCCc3ccncc3)ncc2-c2ccsc2)n1 13227955 IGDYCCKVFCJCLA-UHFFFAOYSA-N 379.514 4.687 0 40 GJAB CCOc1cc(/C=C2/SC(=S)N=C2O)ccc1OC(=O)c1ccccc1 15011589 RRSQNBSAITWQGB-LFIBNONCSA-N 385.466 4.634 0 40 GJAB O=C(CSc1nc2ccccc2s1)N[C@H]1CCSc2ccc(F)cc21 16110443 GMJRUTOEIAMXQV-ZDUSSCGKSA-N 390.530 4.881 0 40 GJAB Cn1ncc(-c2csc(NC(=O)c3ccccc3)n2)c1-c1ccc(F)cc1 19697061 GZHBNXXSZTVCDI-UHFFFAOYSA-N 378.432 4.602 0 40 GJAB Cc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)cnn3c2C)cc1 19817195 YKRMREHASAXPRM-UHFFFAOYSA-N 393.450 4.814 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccccc2Br)c(Cl)c1 20108776 QFSDHZZKIUMNMH-UHFFFAOYSA-N 382.641 4.532 0 40 GJAB CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2Cl)cc1 24839667 VBQVQFLUJPNDMS-RUDMXATFSA-N 393.668 4.713 0 40 GJAB COCc1ccccc1CNC(=O)c1c(-c2c(F)cccc2Cl)noc1C 25307362 PTDKRPIBXJNKOV-UHFFFAOYSA-N 388.826 4.519 0 40 GJAB CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc(O)c2oc3ccccc3c2n1 26850101 WNOSDTICSKTWCR-UHFFFAOYSA-N 387.361 4.732 0 40 GJAB O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(Br)cc1 27992628 JCUGQFBDNLVEDJ-UHFFFAOYSA-N 387.302 4.545 0 40 GJAB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)cc1N1CCCC1=O 31076590 QRZGCTNZLZCVMM-UHFFFAOYSA-N 398.768 4.618 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](C)SCc2ccccc2)ccc1Cl 38756326 SOGAUFIGIXWTNR-ZDUSSCGKSA-N 377.893 4.777 0 40 GJAB Cc1cccc(Cn2nccc2NC(=O)c2nc(-c3cccs3)oc2C)c1 40133115 DMERSQPQPUBWCB-UHFFFAOYSA-N 378.457 4.517 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@@H](C)c3ccccn3)c12 42347301 OZNVZRMKIAQIQV-AWEZNQCLSA-N 379.508 4.504 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(Cl)c(C)c2)cc1 44949026 BVBSQEGSAUFXHM-FQEVSTJZSA-N 375.896 4.939 0 40 GJAB Cc1ccc2c(Nc3ccc(F)cc3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 49005177 ORDJCJRZPWWOGE-HNNXBMFYSA-N 378.451 4.836 0 40 GJAB CC[C@@H]1c2ccsc2CCN1CC(=O)NC[C@@H](C)c1nc2ccccc2s1 58006447 ZIBIHIGPKKFFOA-RHSMWYFYSA-N 399.585 4.587 0 40 GJAB O=S(=O)(CCCc1nc2ccccc2o1)Cc1ccc(Cl)cc1Cl 58006605 SSOXQTFCMHNWOY-UHFFFAOYSA-N 384.284 4.682 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N[C@@H]1CCOc2ccccc21 58023120 VFLJVYHXPZVESC-GOSISDBHSA-N 385.895 4.976 0 40 GJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(F)cc1)CO3 58088584 CWYQLFXJUNNPGF-UHFFFAOYSA-N 381.447 4.935 0 40 GJAB biogenic Cc1cccc(N(CCC(N)=O)CC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 58282244 GZTNFKXIHAJBLK-UHFFFAOYSA-N 395.547 4.562 0 40 GJAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)cc1 59272852 ZMGWULLUQACHLZ-SANMLTNESA-N 399.490 4.619 0 40 GJAB Fc1cccc(-c2noc(C3(c4cccc(C(F)(F)F)c4)CCOCC3)n2)c1 70039694 OCOLGIDYSHUZNG-UHFFFAOYSA-N 392.352 4.991 0 40 GJAB O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCOC[C@H]1c1ccccc1 72303772 YYJLXBSLTSLWLN-IBGZPJMESA-N 398.915 4.606 0 40 GJAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)c4scnc4C)C3)n2)cc1 72349835 OWWKVVGHFCDKPW-QGZVFWFLSA-N 393.512 4.542 0 40 GJAB CN(C)c1cccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccs4)n3)C2)c1 72350730 FEDRNPCWFCKQEJ-GOSISDBHSA-N 391.540 4.896 0 40 GJAB FC(F)(F)c1cccc(-c2cncc(C3CCN(Cc4ccncc4)CC3)n2)c1 72359400 WSLOXHONQMLZEI-UHFFFAOYSA-N 398.432 4.937 0 40 GJAB CN(Cc1ccccc1C(F)(F)F)C(=O)N[C@H]1CCCOc2ccc(F)cc21 83865535 XELGGFDNNUULMI-KRWDZBQOSA-N 396.384 4.900 0 40 GJAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCC(=O)c1ccc(F)cc1F 84718135 XBSKPUYJKULXBD-CYBMUJFWSA-N 382.410 4.555 0 40 GJAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccccc2Cl)S1 96116842 VCZGQXWNGDKBLT-LRDDRELGSA-N 391.924 4.846 0 40 GJAB CN1CCC(NCC[C@@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)CC1 97730303 YPUZXMABKRRKDF-OAQYLSRUSA-N 398.513 4.606 0 40 GJAB COc1ccccc1O[C@H](C)c1cc(O)n2nc(C)c(-c3ccccc3)c2n1 100776430 RDLJIZGVKIIQAV-OAHLLOKOSA-N 375.428 4.559 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219314185 ODXDUCHDDNAPSW-RBUKOAKNSA-N 383.488 4.580 0 40 GJAB Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)cc1Cl 222761932 CFYDJZAQIMKVKI-RTBURBONSA-N 383.904 4.906 0 40 GJAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 223000302 RQVWSIAXHNMCMT-NHCUHLMSSA-N 397.515 4.888 0 40 GJAB COc1ccc(C(=O)NCc2ccccc2)cc1COc1cccc(Cl)c1 224142545 ACLNXHZZZRBOMG-UHFFFAOYSA-N 381.859 4.858 0 40 GJAB CCc1ccc(OCCNC(=O)CSCc2cccc3ccccc23)cc1 224954214 LKJZKNKKSCPDIB-UHFFFAOYSA-N 379.525 4.831 0 40 GJAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(-c2ccccc2)s1 225330585 QOKOJZCMGCBGTP-MRXNPFEDSA-N 387.892 4.963 0 40 GJAB C[C@H]1CCCCN1CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 225590563 LDHLGVMOCQKHHW-ZDUSSCGKSA-N 393.742 4.639 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1c(F)cccc1F)CC(C)(C)O2 225682965 NSUREOYHPBNZRQ-HNNXBMFYSA-N 378.444 4.562 0 40 GJAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)[C@H]3CC34CCC4)CC2)n1 257262411 LLHCWRZVAKNRNF-LJQANCHMSA-N 394.494 4.564 0 40 GJAB O=C(c1cccnc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257291207 QGCIMMUIZGJXAV-IBGZPJMESA-N 381.863 4.681 0 40 GJAB CC(C)(C)c1ccc(O)c(C(=O)NCc2cccc(CN3CCCCC3)c2)c1 257324834 WQKCDRWKOKAHNC-UHFFFAOYSA-N 380.532 4.606 0 40 GJAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 408628193 QOFKKVYSGNBZLZ-INIZCTEOSA-N 397.544 4.509 0 40 GJAB Cc1nc(CC(C)C)c(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)s1 1266139342 KTPRBYQEDFQKKK-CQSZACIVSA-N 377.941 4.768 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)cc1 902729 HWNMUOWVDXFRQK-UHFFFAOYSA-N 393.390 4.795 0 40 GJAB CC[C@H](C)OC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 938349 VSPOVRYYQOPEBM-NSHDSACASA-N 376.478 4.931 0 40 GJAB CC[C@@H](C)OC(=O)COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 957127 XQTPLBGNXAGBOT-MRXNPFEDSA-N 396.439 4.923 0 40 GJAB CCOC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OC)cc12 977839 KKDMHTWNMLCNHV-UHFFFAOYSA-N 388.261 4.887 0 40 GJAB biogenic,in-vitro O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2Br)o1 1612445 DIAAFIZDCFORGR-UHFFFAOYSA-N 393.628 4.797 0 40 GJAB Cc1nn(Cc2ccccc2)c2sc(C(=O)NCc3ccc(F)cc3)cc12 2637151 SROUMNQVWXVRCI-UHFFFAOYSA-N 379.460 4.524 0 40 GJAB Cc1ccc(C)c(Cn2c(CCCNC(=O)C(C)(C)C)nc3ccccc32)c1 2721523 AXSFUOPRZNOIJM-UHFFFAOYSA-N 377.532 4.796 0 40 GJAB Cc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1C 2919608 FTFNSWZPOJLMFL-ROUUACIJSA-N 383.293 4.804 0 40 GJAB CC(C)CNC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3299431 XADQJWXKIAHXSG-UHFFFAOYSA-N 391.920 4.561 0 40 GJAB Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 4558288 CBTZGAWWGXPLAD-UHFFFAOYSA-N 387.501 4.518 0 40 GJAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 4901837 NNURKBNSKKJRKF-UHFFFAOYSA-N 390.936 4.688 0 40 GJAB Fc1ccc2c(c1)nnn2C1CCN(Cc2c(Cl)cccc2Cl)CC1 4968179 HRLKCUOCTZPUNS-UHFFFAOYSA-N 379.266 4.714 0 40 GJAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1cccc(F)c1 5151046 BCKNYLRTWVRYAH-BKULYWANSA-N 397.490 4.733 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(C)c(C)n1CC(C)C 5152043 RHEZSBOYPMOAJK-CQSZACIVSA-N 395.956 4.937 0 40 GJAB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1Cc1cccs1 5208541 LGVAYXNQWNKOAN-UHFFFAOYSA-N 393.468 4.526 0 40 GJAB Cc1cc(C)c(Cn2c(CCCNC(=O)C(C)C)nc3ccccc32)c(C)c1 5545989 WQCHFELHXVIEAG-UHFFFAOYSA-N 377.532 4.715 0 40 GJAB COc1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccc(C)cc3[nH]2)c1 5626088 VACRLNFPXPRBJV-QFIPXVFZSA-N 385.467 4.594 0 40 GJAB C[C@H]1CCc2sc3nc(NCc4ccccc4)n4c(=S)[nH]nc4c3c2C1 5999334 GNLUOWXNFVZWKB-NSHDSACASA-N 381.530 4.738 0 40 GJAB CC(C)Cn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc21 6516232 OYIZFQROJNPHOT-UHFFFAOYSA-N 397.588 4.869 0 40 GJAB FC(F)(F)c1nc(NCc2ccccc2)c2cnn(Cc3ccccc3)c2n1 6604328 VVXVXPASYCNTCD-UHFFFAOYSA-N 383.377 4.506 0 40 GJAB C[C@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)NC1CCCC1 7220518 OSGSGLWWPXLSQZ-HNNXBMFYSA-N 379.529 4.746 0 40 GJAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Oc2ccc3ccccc3c2)CC1=O 7929281 WKQFHSGXLPXCFM-QGZVFWFLSA-N 379.843 4.760 0 40 GJAB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c2ccccc21 8091834 HKNWJAPNLKWPKS-RVDMUPIBSA-N 379.799 4.815 0 40 GJAB CCOc1ccc([C@H]2CCCN2Cn2nc(-c3ccccc3)[nH]c2=S)cc1 8189825 ZQQNOJQXXXFYJF-LJQANCHMSA-N 380.517 4.801 0 40 GJAB Cc1ccnc(-n2c(C)c(C)c3c2ncn2nc(-c4ccc(Cl)cc4)nc32)c1 9060713 BUXQILDJGURTHF-UHFFFAOYSA-N 388.862 4.709 0 40 GJAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)Cc3cccs3)ccc1O2 9135358 NLRFSRQBKFVZDN-UHFFFAOYSA-N 378.453 4.620 0 40 GJAB Cc1ccn2cc(C(=O)N3CCCC[C@H]3c3nc4ccccc4s3)nc2c1 9712344 UIGKRCDNILMULJ-KRWDZBQOSA-N 376.485 4.620 0 40 GJAB COC(=O)c1c(NC(=O)Cc2ccc(Cl)s2)sc2c1CCCCC2 10061005 RRUBDBKEIAOSNZ-UHFFFAOYSA-N 383.922 4.700 0 40 GJAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccc(-c2ccccc2)cc1)CC3 12388935 IQRJTJOBCQEZBJ-UHFFFAOYSA-N 396.490 4.971 0 40 GJAB COc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc(Cl)c1OC 14348799 JNRQCSPLOVHPME-UHFFFAOYSA-N 396.874 4.768 0 40 GJAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC(F)(F)F)cc1)NCC2 20506908 LFJNYAXLIXMPPB-LJQANCHMSA-N 381.394 4.618 0 40 GJAB CCCOc1cccc([C@@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)c1 20672376 JDWLCIGUDYLLQU-OAQYLSRUSA-N 391.471 4.677 0 40 GJAB O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)C1CCCCC1 21782602 VNQVUOQIPHBTTI-UHFFFAOYSA-N 380.536 4.703 0 40 GJAB Clc1ccccc1-n1cc(-c2ccccc2)c2c(N3CCOCC3)ncnc21 21798124 SVVDLSLRRIONAC-UHFFFAOYSA-N 390.874 4.578 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1NCc1ccccc1 22072879 HWYXELNFIKYBLV-UHFFFAOYSA-N 387.361 4.845 0 40 GJAB Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1ccc2ccccc2c1)C(C)C 27409001 KPZPTUCRMSFCRI-JPYJTQIMSA-N 388.511 4.780 0 40 GJAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21 27822745 UPWAFIPVEXMDOV-UHFFFAOYSA-N 392.908 4.641 0 40 GJAB O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCO[C@@H](c2ccccc2)C1 27909492 NVJQSDQGVAKMSQ-LJQANCHMSA-N 398.915 4.606 0 40 GJAB Cc1ccc(-c2nc(CSCc3cc(=O)n4c(C)csc4n3)co2)c(C)c1 32772102 XMOBBZJXTPVJDO-UHFFFAOYSA-N 397.525 4.770 0 40 GJAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1F)O[C@H](C)C2 32854021 GLJIJKKUWKARNG-NEPJUHHUSA-N 392.858 4.640 0 40 GJAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccccc4Cl)ncnc3c2c1 33172464 ALWLOAUQUIERHA-UHFFFAOYSA-N 382.876 4.804 0 40 GJAB O=C(Nc1c(-c2ccco2)nc2ccccn12)c1ccccc1Br 34912636 XCOVQDYVCAWDFN-UHFFFAOYSA-N 382.217 4.609 0 40 GJAB Cc1ccccc1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 38528722 NZNJRXYPNDCAEN-JOCHJYFZSA-N 387.435 4.659 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1Cl 38752891 KJXLKLQFSQCZBS-MRXNPFEDSA-N 396.270 4.966 0 40 GJAB Cc1cccc(Cn2cccc(C(=O)Nc3ccc(-c4ccccc4)cn3)c2=O)c1 63782885 HZFFKXBCZAFPBZ-UHFFFAOYSA-N 395.462 4.519 0 40 GJAB CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)COC3)n(Cc2ccccc2)n1 64387741 ZKXFJFKJRUVBGB-UHFFFAOYSA-N 375.472 4.511 0 40 GJAB CCn1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]3(C)[C@@H]2O)n1 71785078 AGPNLNWYOUSSOT-AKMVADNRSA-N 378.516 4.519 0 40 GJAB CC[C@H](C)Nc1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72213464 HFMCMJUZHMBYDZ-FXAWDEMLSA-N 387.549 4.516 0 40 GJAB CCOc1ccc(-c2nc(CC(=O)N[C@@](C)(C3CC3)C(F)(F)F)cs2)cc1 72307905 IQBQKUJPZCNWEY-SFHVURJKSA-N 398.450 4.599 0 40 GJAB CO[C@H]1CCCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)C1 96122449 NTKSCMBUKHKQKY-SFHVURJKSA-N 378.394 4.573 0 40 GJAB CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)c([C@@H](O)c2ccccc2)c1Cl 96171641 CLFAWDNCFYVSSA-AWEZNQCLSA-N 386.801 4.820 0 40 GJAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1C(=O)c1ccccc1 219261188 WTYVIOLTKGBUQB-UHFFFAOYSA-N 379.456 4.929 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 222974454 GZNDALYAUSRWOW-FQEVSTJZSA-N 390.571 4.963 0 40 GJAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 223005103 AWHNYHXUSQHRKO-HSZRJFAPSA-N 394.559 4.604 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NCCSc2ccc(C)cc2)c1C 225286734 LBAPZQKSPGURQQ-UHFFFAOYSA-N 388.558 4.559 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2cccc3ccccc23)no1 225830478 ZHQSHLCDTUASCM-MRXNPFEDSA-N 383.451 4.800 0 40 GJAB CC1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2N)CC1 226266595 HITCNKRXRKVPMS-UHFFFAOYSA-N 388.309 4.520 0 40 GJAB COc1cccc(-c2nc3cc(Br)cc(Br)c3[nH]2)c1 226343561 CMQOTCROQHURAB-UHFFFAOYSA-N 382.055 4.764 0 40 GJAB CN(C(=O)C(F)(F)F)c1ccc(Cl)c(-c2cc3ccccc3oc2=O)c1 226358367 FBUZOJGZWJFRHN-UHFFFAOYSA-N 381.737 4.639 0 40 GJAB Cc1cncnc1[C@@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 257277732 NZDPZEJNYMZVOX-QFIPXVFZSA-N 387.483 4.877 0 40 GJAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1Cl 408808993 HEVTZWHIKZHIOE-YVLHZVERSA-N 389.860 4.594 0 40 GJAB CCOc1cc(CNc2ccccc2)cc(I)c1OCC 409120027 SKGQAEGQIYGWGD-UHFFFAOYSA-N 397.256 4.701 0 40 GJAB COc1cc2c(cc1OC)[C@@H](NC(=O)Cc1cn(C(C)C)c3ccccc13)CC2 524734636 XKEKSUVRWFVWDK-FQEVSTJZSA-N 392.499 4.586 0 40 GJAB O=C(N1CC[C@@H](n2cnc3ccccc32)C1)C1(c2ccc(Cl)cc2)CCCC1 575615222 CCLUKYVPNLXLCT-LJQANCHMSA-N 393.918 4.975 0 40 GJAB CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(Br)c1 708756 YQLKZMFYWSATQE-UHFFFAOYSA-N 382.279 4.502 0 40 GJAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc2c(c1)OCCO2 949063 VWCARDDFVLSSEC-UHFFFAOYSA-N 378.428 4.543 0 40 GJAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(Cl)cc3)c2c1 952867 FWOZONMSGYLOGE-UHFFFAOYSA-N 398.846 4.985 0 40 GJAB COc1ccc2nc(Cl)c([C@H]3NC(=O)c4c(sc5c4CCCC5)N3)cc2c1 976992 ZAOKWVXCVDGNSH-SFHVURJKSA-N 399.903 4.691 0 40 GJAB CCOc1ccc(OCc2cccc(C(=O)OCC(F)(F)C(F)F)c2)cc1 1009088 LKTHUODPNWVLAK-UHFFFAOYSA-N 386.341 4.722 0 40 GJAB COc1ccc(CCC(=O)Nc2ccc3nc(SC)sc3c2)cc1OC 2657645 XUQCVGKYFVFBIP-UHFFFAOYSA-N 388.514 4.607 0 40 GJAB CC[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 2799166 GLCOOPMJKXAGSA-ZENOOKHLSA-N 396.413 4.541 0 40 GJAB COc1cc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc(OC)c1OC 3376566 XYYQEPLFQVXZRP-UHFFFAOYSA-N 394.452 4.728 0 40 GJAB CSc1ccc(CN(C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1 3390393 IRWPVSRRABOQBU-UHFFFAOYSA-N 390.552 4.746 0 40 GJAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C#N)C1 4664064 KWCGJTBHOVISKH-BPLDGKMQSA-N 388.533 4.600 0 40 GJAB COc1ccc(-c2nnc(SCc3nc4ccccc4s3)o2)cc1OC 5019121 NDRZCSBZHXGWLZ-UHFFFAOYSA-N 385.470 4.656 0 40 GJAB C[C@@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccccc1 5147371 QHCSYSWCAOTQSA-CQSZACIVSA-N 379.460 4.622 0 40 GJAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccc(F)cc1 5164810 OYPVOPCWDLCKSV-SFLYRZDNSA-N 397.490 4.733 0 40 GJAB Cc1cccc(OCc2nnc(SCC(=O)c3ccc(Cl)s3)o2)c1 5294898 AZYVXURIGQQVMI-UHFFFAOYSA-N 380.878 4.647 0 40 GJAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1)OCCO3 5529902 MNFVYVHTLBDTIR-ZJKGHYPUSA-N 376.537 4.515 0 40 GJAB biogenic O=C1S/C(=C\Nc2ccc(Br)cc2)C(=O)N1Cc1ccccc1 5799885 WRMCAJXIBUSSLC-GDNBJRDFSA-N 389.274 4.598 0 40 GJAB CCn1cc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cccc23)cn1 6490310 SWBGXISJLHBTAN-UHFFFAOYSA-N 384.483 4.665 0 40 GJAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 6630624 LLPROGUKZCXSIH-UHFFFAOYSA-N 384.379 4.571 0 40 GJAB COc1ccccc1[C@@H](CNc1ncnc2sc(C)c(C)c12)N1CCCC1 6646874 LSPNOMINLUJHFL-QGZVFWFLSA-N 382.533 4.566 0 40 GJAB CCOc1cc(C[C@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC 6960487 GIFNEXLFOKDIQV-QGZVFWFLSA-N 391.876 4.558 0 40 GJAB Cc1ccc(Nc2nc(CN(C)CC(=O)Nc3c(C)cccc3C)cs2)cc1 7493902 VEXRKTZQEYZGLE-UHFFFAOYSA-N 394.544 4.882 0 40 GJAB O=C(Nc1ccc(F)cc1F)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604330 NHZUOBYZDCKVQL-UHFFFAOYSA-N 376.362 4.706 0 40 GJAB CCN(Cc1ccc(Cl)s1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 8168117 HZQJJISREIQGIZ-MDZDMXLPSA-N 376.330 4.878 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 8286742 DLZDZSBTYNGKAM-UHFFFAOYSA-N 397.327 4.921 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 8321141 QOEZPLGKVJTJDJ-UHFFFAOYSA-N 390.826 4.701 0 40 GJAB Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)N2CCC4CC2)cc1Cl 8763225 YUMCRVJTJJCBQL-UHFFFAOYSA-N 398.919 4.790 0 40 GJAB CCn1nnc2cc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)ccc21 8942334 RVMIEPQUVHNRAG-UHFFFAOYSA-N 383.411 4.512 0 40 GJAB CC(C)[C@@H](C(=O)NCCc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 9112187 VUKMYROBCFRMLX-OAQYLSRUSA-N 381.907 4.624 0 40 GJAB O=C(NCc1ccccc1)c1cccc(OCc2cc(-c3ccccc3)on2)c1 9578848 KYQVWXCEASYMHF-UHFFFAOYSA-N 384.435 4.851 0 40 GJAB CC(C)(C)Nc1c([C@H]2CCCN(C(=O)c3ccccc3F)C2)nc2ccccn12 12088125 RGEKCFUGMWEROF-INIZCTEOSA-N 394.494 4.704 0 40 GJAB COc1ccc([C@H](NC(=O)c2ccc3nc(C)sc3c2)c2ccncc2)cc1 12148483 ULPCRPNSDKEHCM-NRFANRHFSA-N 389.480 4.528 0 40 GJAB Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCCC3)c2c1 12437942 VWCDXEWHTIQMBF-UHFFFAOYSA-N 380.513 4.593 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)c1cccc2ccccc12 12759872 FDOCYTWQAADDHM-BXKMTCNYSA-N 384.479 4.981 0 40 GJAB O=C(Nc1ncc(Cc2ccccc2Br)s1)c1ccccc1F 13012144 QNIMHPIUGDHWPG-UHFFFAOYSA-N 391.265 4.888 0 40 GJAB COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)OC(C)(C)C=C4)CO2 13434200 NGQVFILFHVPLFE-UHFFFAOYSA-N 392.407 4.554 0 40 GJAB biogenic,in-vitro Cc1ccccc1/N=c1\scc(-c2ccccc2)n1NC(=O)c1ccncc1 13809895 CDMUCMVOURPPBO-GYHWCHFESA-N 386.480 4.536 0 40 GJAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 14069967 KBJXZHLJZPTXDM-LBPRGKRZSA-N 386.398 4.640 0 40 GJAB Cc1ccc([C@@H](NC(=O)Cc2cnn(-c3ccccc3)c2)c2ccccc2)cc1 14169942 UUHUFRRRBLRGCM-VWLOTQADSA-N 381.479 4.629 0 40 GJAB Cc1nc(/C=C/C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cs1 14729188 DMRBITXPXBEZJQ-SNAWJCMRSA-N 393.299 4.655 0 40 GJAB O=C(NCCC1=CCCCC1)c1ccc(OCc2cn3ccccc3n2)cc1 17335290 CWKSPRPNXHPWLJ-UHFFFAOYSA-N 375.472 4.534 0 40 GJAB Cc1cc(-c2cccs2)c2c(N)c(C(=O)c3ccc4c(c3)OCO4)sc2n1 17354338 TZVVPYZXGLGALB-UHFFFAOYSA-N 394.477 4.875 0 40 GJAB O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(C3CCCC3)CC[C@@H]21 19332143 DMNQQEXBQVPMJI-FKBYEOEOSA-N 398.547 4.760 0 40 GJAB C[C@H](N[C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 21796110 QTCZIIMWGLGSEB-RYUDHWBXSA-N 386.801 4.916 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Cc1cccs1)CC2 24445048 IIICXNVFCKNNQU-OAQYLSRUSA-N 399.537 4.544 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(-n3nc(C)c(Br)c3C)cc2)c1 28573001 IXFHXWGADOAPFG-UHFFFAOYSA-N 384.277 4.812 0 40 GJAB Cc1ccc(C2(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)CCCC2)cc1 30822874 KXWKXLZQVQIOEO-HNNXBMFYSA-N 396.556 4.731 0 40 GJAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 35288861 UECNTNHJDSNSRO-UHFFFAOYSA-N 380.469 4.565 0 40 GJAB Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1N1CCCC1=O 38489772 VRCHEAFPECIBAM-UHFFFAOYSA-N 377.366 4.785 0 40 GJAB Cc1cc(NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)no1 40033791 NUSKGCDQGCFRAV-UHFFFAOYSA-N 375.432 4.536 0 40 GJAB CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1 41076967 CFNWMEHCPBZEIW-UHFFFAOYSA-N 383.879 4.872 0 40 GJAB Cc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)c(O)c1 48279747 GLXUCUMSAQOOTG-UHFFFAOYSA-N 390.270 4.813 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N(Cc1ccc(O)cc1)Cc1ccco1 69419414 LMYCUZCKDFPHST-HNNXBMFYSA-N 385.847 4.635 0 40 GJAB CSc1ccccc1C(=O)NC[C@](C)(O)c1ccc(-c2ccccc2)cc1 77184122 HLSKOXKYSDOMHR-QHCPKHFHSA-N 377.509 4.713 0 40 GJAB CCOc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2cccc(F)c2)C3)c(C)cc1OC 100765766 DANJXONNGUFQRI-NHCUHLMSSA-N 399.506 4.556 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102274851 VWZXLFVLTHWJTJ-LZLXCTOHSA-N 385.939 4.756 0 40 GJAB Cc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)c(C)c1 102907952 CHAGPMLUKHMBKY-HNAYVOBHSA-N 387.277 4.836 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1C 216404657 ZUZGVLFEOSEUAQ-SFHVURJKSA-N 394.515 4.772 0 40 GJAB CCCOc1ccccc1CCCNC(=O)C1CCN(c2ccc(C)cc2)CC1 219864274 RNLRYNRVVHMPBJ-UHFFFAOYSA-N 394.559 4.749 0 40 GJAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 222891646 ULDZHRJVFFDAAA-PMACEKPBSA-N 381.476 4.863 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 224229798 PKJSHRSUTCPWAK-AWEZNQCLSA-N 381.501 4.909 0 40 GJAB O=C(NCCOc1ccccc1Cl)c1ccccc1CCc1ccccc1 224279309 ORAXDPYPCJNBSK-UHFFFAOYSA-N 379.887 4.934 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)ccc21 225075658 QRXAMHZFVQYRDA-LLVKDONJSA-N 392.933 4.856 0 40 GJAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)CCc1c(Cl)cccc1Cl 225362129 QMXXHBKDIXACOL-OAHLLOKOSA-N 391.342 4.884 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(C)c1 225467463 WATGKBBWCGGQNO-MRXNPFEDSA-N 375.534 4.649 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCc2ccc(Cl)cc2)c1 225544765 FSNNAFAMDGVXIE-UHFFFAOYSA-N 390.936 4.744 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCC)c(C(=O)OC)c1 225801875 BDBLFXFLYSCUCE-NRFANRHFSA-N 379.497 4.576 0 40 GJAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3Cl)n2)c1 225813730 OFSZEEPNEUNSFD-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CC(C)c1nc(C2(NC(=O)N[C@H](c3ccccc3)C(F)(F)F)CCCC2)no1 548498656 DBBJQIQXEUXWTO-CQSZACIVSA-N 396.413 4.565 0 40 GJAB C[C@H](NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1)c1cscn1 661639074 TXNPYOSJLBCEIV-ZDUSSCGKSA-N 379.476 4.537 0 40 GJAB C[C@H](C(=O)Nc1ccc(OC2CCCC2)c(F)c1)n1ccc(C(F)(F)F)n1 1126592023 DIEQVZSCAIFWJG-LLVKDONJSA-N 385.361 4.562 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)C2(c3ccccc3)CC2)N1c1ccc(F)cc1 1615123212 SAPLKEAGPFPVSO-VXKWHMMOSA-N 392.518 4.906 0 40 GJAB COc1ccc2nc3sc(C(=O)Nc4cccc(Cl)c4)c(N)c3cc2c1 862125 NTAQFEYWGMLOSU-UHFFFAOYSA-N 383.860 4.946 0 40 GJAB CC(C)OC(=O)COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 950698 VRFHGMNILWCUMR-UHFFFAOYSA-N 388.803 4.569 0 40 GJAB Cc1ccc(NC(=O)CN(C(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 976619 MBQCJNCFFYRVEC-UHFFFAOYSA-N 378.859 4.934 0 40 GJAB CCc1ccc2nc3sc(C(=O)Nc4cccc(OC)c4)c(N)c3cc2c1 1342792 KRORQFDTQSZBNY-UHFFFAOYSA-N 377.469 4.855 0 40 GJAB COc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12 2428604 UFFLLEIFMKYTTG-UHFFFAOYSA-N 388.471 4.810 0 40 GJAB C[C@@H]1CN(C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C[C@@H](C)O1 3177298 SBDVFZIHJIAPTG-ZIAGYGMSSA-N 392.471 4.994 0 40 GJAB COc1ccc(-n2cnnc2SCCOc2c(Cl)cccc2Cl)cc1 3326168 JCDMLEUGKNRYNL-UHFFFAOYSA-N 396.299 4.754 0 40 GJAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(c3c(C)[nH]c4ccccc34)c3ccccc32)c1 4554133 QNFHEVDSOADLHT-SANMLTNESA-N 396.490 4.876 0 40 GJAB CC1CCC(N2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)CC1 4745302 BWGQRHGLILPDNB-GWHCDVRWSA-N 382.592 4.758 0 40 GJAB COc1ccc(C2=NN3[C@H](C(=O)c4ccc(C)cc4)Oc4ccccc4[C@@H]3C2)cc1 4854128 JOQDHTFSKNHSBS-DHLKQENFSA-N 398.462 4.756 0 40 GJAB CCc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccccc3Cl)C2)cc1 5023124 FXMNXWJUZHQNCK-FQEVSTJZSA-N 398.890 4.835 0 40 GJAB CCOc1ccc2nc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)sc2c1 5445621 WFCUQECTMRFGFI-KCQAQPDRSA-N 378.563 4.728 0 40 GJAB O=C(CSc1nnc(-c2ccco2)o1)N(c1ccccc1)c1ccccc1 5900700 XKMQCXDZFQSMBZ-UHFFFAOYSA-N 377.425 4.787 0 40 GJAB CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 6144994 HTNKWCIYEDMTQR-QGZVFWFLSA-N 394.544 4.698 0 40 GJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(CC)cc2)cc1 6941082 AJJPDZYLOMVGLJ-UHFFFAOYSA-N 388.467 4.668 0 40 GJAB CSc1nc(C)c(CCC(=O)OCc2c(Cl)cccc2Cl)c(C)n1 7001981 PHODINLPVJWRBL-UHFFFAOYSA-N 385.316 4.798 0 40 GJAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 7928142 CEOFFHSNPVYPEW-SFHVURJKSA-N 386.451 4.779 0 40 GJAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccco1 8360217 QIUOPEBDANRSJC-OAHLLOKOSA-N 377.469 4.744 0 40 GJAB O=C(CSc1nnc(Nc2ccccc2F)s1)c1c[nH]c2ccccc12 8428490 AIKVVBSLTNDYAV-UHFFFAOYSA-N 384.461 4.877 0 40 GJAB C[C@@H](NC(=S)Nc1c(Br)cccc1OC(F)F)C(C)(C)C 8687633 QRIRNYBYOCKQMM-MRVPVSSYSA-N 381.286 4.772 0 40 GJAB Fc1ccc(-c2cnc(CSc3nnc(-c4cccnc4)n3C3CC3)o2)cc1 8940588 SEQWKRJMQQBOGF-UHFFFAOYSA-N 393.447 4.761 0 40 GJAB COc1cccc(-c2nc(-c3cccc(N4CCCC4=O)c3)cs2)c1OC 9637836 FBPVGEIULUGHBS-UHFFFAOYSA-N 380.469 4.621 0 40 GJAB O[C@@H](CN1CCc2ccccc2C1)CN1c2ccccc2Sc2ccccc21 9970618 PNPBTSJNYCVQSK-FQEVSTJZSA-N 388.536 4.709 0 40 GJAB O=C1C[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ccccc2N1 10643062 IIJFSFJKYYSPJC-UGKGYDQZSA-N 390.870 4.672 0 40 GJAB CCCCN1C[C@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O 12627910 ZTMLMIVWKXJQAV-HXUWFJFHSA-N 375.516 4.785 0 40 GJAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2SC(F)F)cc1 12765473 YEXDZYFOAQLTIP-UHFFFAOYSA-N 378.444 4.736 0 40 GJAB CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 12869104 YSKYSQZEVNUXOX-FSSNKTKLSA-N 386.532 4.957 0 40 GJAB biogenic Cc1ccc(N(C(=O)CN(C)Cc2ccco2)c2nc3ccccc3s2)cc1 12913592 PUWCUMHHYDCDRX-UHFFFAOYSA-N 391.496 4.994 0 40 GJAB COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2)c1 13645969 XADGEDMVPPHNRH-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB Clc1ccc(Cc2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13689430 KBUVJGNRDXHLEL-UHFFFAOYSA-N 377.860 4.645 0 40 GJAB Cc1c(Br)c(O)c(Br)c(C)c1NC(=O)c1ccccc1 16807768 OGSCZMDOLQQOMN-UHFFFAOYSA-N 399.082 4.786 0 40 GJAB COC(=O)c1cc(-c2ccccc2)ccc1S(=O)(=O)c1c(C)cc(C)cc1C 18194653 OXBWHVXLQWXVRU-UHFFFAOYSA-N 394.492 4.898 0 40 GJAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)C3CC3)cc2N1 19083276 ZGBUYGVDRDUUJH-HRCADAONSA-N 398.473 4.680 0 40 GJAB Cc1ccc2cccc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)c2n1 19663784 QOVBRZAHPMMXAO-UHFFFAOYSA-N 387.439 4.979 0 40 GJAB CCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c2ccccc21 22234420 FBHMGDJDFZGIFC-UHFFFAOYSA-N 394.780 4.946 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(OC)cc1 22514993 XOAXOJLBQAPWBT-QFIPXVFZSA-N 377.484 4.755 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1cccc(Cl)c1 22907765 ZXASLGHGYDFWRD-FQEVSTJZSA-N 396.943 4.931 0 40 GJAB COc1ccc([C@H]2CCCCCN2C(=O)c2cncc(Br)c2)cc1 24392258 IHQOLURABFLJGS-GOSISDBHSA-N 389.293 4.610 0 40 GJAB CCOC(=O)c1ccc(Nc2cc(-n3nc(C)cc3-c3ccccc3)ncn2)cc1 27530914 IPMZFPJQPGXRLA-UHFFFAOYSA-N 399.454 4.558 0 40 GJAB Cc1ccc(Cn2cc(Br)c(NC(=O)c3sccc3C)n2)cc1 27917194 QQKCWTCUZABECA-UHFFFAOYSA-N 390.306 4.625 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CSCC(=O)Nc1cccc(C)c1C 28183363 PJXYUGPLWASJPM-UHFFFAOYSA-N 376.909 4.576 0 40 GJAB Cc1ccc(C)c(OCc2ccc(C(=O)Nc3nc4ccccc4n3C)o2)c1 28231070 PABCMOBAJXGEAM-UHFFFAOYSA-N 375.428 4.614 0 40 GJAB CCCOc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1 32091410 ISTBHXVYAFYETI-OAHLLOKOSA-N 397.866 4.537 0 40 GJAB CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)Nc2ccc3[nH]ccc3c2)s1 36357922 DZQVBXNVNIVWNI-UHFFFAOYSA-N 384.505 4.584 0 40 GJAB COc1cc2c(cc1CN(CCCn1ccnc1)Cc1ccc(F)cc1)CCC2 36740153 ILORLZCNKJWTCL-UHFFFAOYSA-N 393.506 4.612 0 40 GJAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cl 38753024 CMQJQOWLUKCGGJ-UHFFFAOYSA-N 389.879 4.832 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)s2)cc1 40009510 NZEGDYHCZUFMEU-HNNXBMFYSA-N 377.893 4.737 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1OCC 44843708 HAJMRUBSYLRBPB-HNAYVOBHSA-N 389.467 4.658 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)cc1 47536403 LFGYXQULHJAUNL-LJQANCHMSA-N 379.485 4.521 0 40 GJAB COc1cc(CNC(=O)CCc2c[nH]c3ccccc23)ccc1OC1CCCC1 48281719 QUQLCTRGAMXCER-UHFFFAOYSA-N 392.499 4.747 0 40 GJAB Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)c1nnc(C(C)C)n1C1CC1 63872496 LRQUJRPPXHRWAR-UHFFFAOYSA-N 389.565 4.625 0 40 GJAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3c(C)cccc3C)n2)cc1 67257593 JGPONWMJIKVSEV-UHFFFAOYSA-N 393.512 4.808 0 40 GJAB CNC(=O)c1ccc(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)c(C)c1 69351477 CJJZCJSNXZOREM-INIZCTEOSA-N 384.545 4.819 0 40 GJAB c1ccc(Nc2nccc([C@@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)nc1 72377984 ROYZPIAPKIFZKR-HXUWFJFHSA-N 396.498 4.543 0 40 GJAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2ccccc2F)C1 72396195 PKOKLHVXTKBKPK-FQEVSTJZSA-N 377.463 4.514 0 40 GJAB O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccccc1 77287132 YWZUFJFIXFJKBD-XPWALMASSA-N 391.442 4.749 0 40 GJAB in-vitro Clc1cccc(Oc2ccccc2)c1CNCCc1nnc2n1CCCCC2 95455755 XAAULJKLSIRQKI-UHFFFAOYSA-N 396.922 4.783 0 40 GJAB Cc1ncccc1NC(=O)c1c2c(-c3ccccc3)ncnc2n2ccccc12 96146668 MLGRIBJEYISVJG-UHFFFAOYSA-N 379.423 4.505 0 40 GJAB CC(C)c1noc(-c2ccccc2NC(=O)c2ccccc2Br)n1 96346530 MZIQNCSJPCFFTO-UHFFFAOYSA-N 386.249 4.875 0 40 GJAB C[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(OC(C)(C)C)cc1 97143462 LUBZERGYXDEYDJ-VGSWGCGISA-N 396.531 4.832 0 40 GJAB CCOc1cccc2sc(NC(=O)c3n[nH]c4c3C[C@H](C(C)(C)C)CC4)nc12 141558523 FGGWVVDDZSLDHS-GFCCVEGCSA-N 398.532 4.821 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 219481693 HLUBWIOQOQUYSZ-ZDUSSCGKSA-N 384.328 4.810 0 40 GJAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(C)cc1 222686480 PNBHYANPYHZLGU-NCJDQSJGSA-N 388.467 4.626 0 40 GJAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1Cc1ccco1 222819938 HYUHPBQVOYTBLR-NHCUHLMSSA-N 394.544 4.522 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(CC)cc1 222897364 YYLPLILKTMHWQM-JOCHJYFZSA-N 383.532 4.944 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 223654566 PKENCZNMUMPWOW-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224442364 OUGXSZXAMSRDHW-LJQANCHMSA-N 389.923 4.990 0 40 GJAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NCc1ccccc1Cl 225827287 JXUCLVIQOREWGZ-UHFFFAOYSA-N 391.858 4.792 0 40 GJAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C)n1 225865359 JXISODUEKOROJR-UHFFFAOYSA-N 382.504 4.646 0 40 GJAB Cc1cc(C)c(OCC(=O)Nc2c(C)cc(N)cc2Cl)c(Br)c1 227145329 IVYDWKFPVJFEEJ-UHFFFAOYSA-N 397.700 4.627 0 40 GJAB Cc1ncoc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257236481 HCJUDCIBSZYXSK-KRWDZBQOSA-N 385.851 4.583 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)c(Cl)c1Cl 408629984 LTAODHBQLPGNHR-UHFFFAOYSA-N 390.288 4.590 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(Cl)cc1 409134239 NIVJYTSNHGNKRU-AWEZNQCLSA-N 390.936 4.845 0 40 GJAB COc1ccccc1-c1noc([C@@H]2C[C@H]2c2csc(Br)c2)n1 528070099 XOTMPHOSXPEQJL-NWDGAFQWSA-N 377.263 4.840 0 40 GJAB Cc1nc([C@H](NCc2ccsc2C(F)(F)F)c2ccc(Cl)cc2)no1 529543628 MIAOHTIEHNTRRL-CYBMUJFWSA-N 387.814 4.991 0 40 GJAB COc1cccc2c1OC(C)(C)[C@H]1C[C@H](C(=O)O)[C@H](CCc3ccccc3)O[C@H]21 585264796 NPSXYNPEVHQAMF-VNYTWHDVSA-N 396.483 4.646 0 40 GJAB Cc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)Nc2ccccc2F)C3)cc1 1370607 DCEPUEYTNTUGLE-WOJBJXKFSA-N 381.495 4.841 0 40 GJAB C=C1C[C@H]2[C@H](CC[C@@]3(C)[C@@H]2CC[C@]3(OC(C)=O)C(C)=O)[C@@]2(C)CCC(=O)C=C12 1689375 YCDZXIYKJHQMIG-CYDYFGPOSA-N 384.516 4.575 0 40 GJAB CC(C)OC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2347811 YVRFHTWUECAIMF-UHFFFAOYSA-N 378.476 4.622 0 40 GJAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1 2925006 RVBSWQGYTWLMOX-UHFFFAOYSA-N 391.905 4.598 0 40 GJAB O=C1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CN1Cc1ccccc1 4033494 POKPRKJOACMZTD-QFIPXVFZSA-N 395.506 4.795 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccoc1C 4860853 DIARJPGHAHKOOL-UHFFFAOYSA-N 384.505 4.721 0 40 GJAB Cc1cccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)c1 6867462 VMGYYLNYZGKAOV-UHFFFAOYSA-N 396.270 4.643 0 40 GJAB O=C(O)/C(=C/c1ccc(F)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1 7603222 JWSDXCZZDSQNBQ-ZROIWOOFSA-N 376.796 4.747 0 40 GJAB COc1ccc(CC(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 7652056 BEVNJFUYBAYARB-HXUWFJFHSA-N 390.508 4.729 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(=O)oc3cc(C)c(C)cc23)c1 7718538 ASCKQDCDZYVHKV-NRFANRHFSA-N 393.483 4.764 0 40 GJAB COc1ccc(-c2noc(CSc3ccc4ccccc4n3)n2)cc1OC 8131235 ZGOUYJQBGCRUJM-UHFFFAOYSA-N 379.441 4.594 0 40 GJAB CCCCn1nc(NC(=O)c2ccccc2OC)c2cc3ccc(C)cc3nc21 9350119 OPHDPIHYTXMYOO-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB CCN(CC)CCCNC(=O)c1csc(Nc2cccc3ccccc23)n1 9763808 RBDXPHQJLAYJEX-UHFFFAOYSA-N 382.533 4.502 0 40 GJAB COc1ccc(-c2cn3c(C(=O)Nc4ccc(F)cc4F)csc3n2)cc1 11902756 ODGVNUPTEATZGL-UHFFFAOYSA-N 385.395 4.602 0 40 GJAB COc1ccc2c(C)cc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)nc2c1 12541963 HPNLAKVKMJVSKE-UHFFFAOYSA-N 382.485 4.674 0 40 GJAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCc3ccc(F)cc3)cc2)o1 12783614 LBECCSRWLHXQOB-UHFFFAOYSA-N 387.414 4.781 0 40 GJAB Cc1ccc(Nc2nnc(SCC(=O)N(C(C)C)C(C)C)s2)cc1Cl 12805770 GIXDBJKSQGCHOE-UHFFFAOYSA-N 398.985 4.981 0 40 GJAB COc1ccc(CCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 12855506 AOFMOBWRZHWBGM-QHCPKHFHSA-N 377.509 4.864 0 40 GJAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 12919584 OTOUDZYKGMGWDS-CYBMUJFWSA-N 398.507 4.623 0 40 GJAB CCC[C@@H](NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12)c1ccccc1 12928138 GEOLFUYZMWALFX-UYAOXDASSA-N 392.528 4.811 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cn3)c3ccccc3n2)c(OC)c1 13208402 KMLBJQBKWWHBJF-UHFFFAOYSA-N 399.450 4.875 0 40 GJAB COc1ccc2c(c1)CCc1c-2n[nH]c1-c1nc(-c2ccccc2Cl)no1 13570060 USMVLCIDIVADKC-UHFFFAOYSA-N 378.819 4.554 0 40 GJAB C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(F)cc1 20109047 XMTCSRTYFOEBRJ-LBPRGKRZSA-N 382.298 4.699 0 40 GJAB COc1ccc(Cc2nc3c4c(C)c(C)n(-c5cccc(C)c5)c4ncn3n2)cc1 21801167 UXQLIJYDMDOISO-UHFFFAOYSA-N 397.482 4.593 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCc4sccc4C3)c3c(C)noc3n2)s1 22598024 HIJSVRBARUEWRL-UHFFFAOYSA-N 395.509 4.828 0 40 GJAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OCC)cc1 23055414 LPMMTUSUMAEJAU-UHFFFAOYSA-N 399.878 4.841 0 40 GJAB O=C(c1ccc(Br)cc1)N1CCC[C@H](c2nc3ccccc3o2)C1 27386525 ZECCWUBFXBRSKU-AWEZNQCLSA-N 385.261 4.610 0 40 GJAB c1ccc(Cc2noc(CSc3ncnc4sc5c(c34)CCCC5)n2)cc1 36844267 WHLIXNBZOURTOP-UHFFFAOYSA-N 394.525 4.836 0 40 GJAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1ccc(Cl)cc1Cl 45889050 YWVWJKOORIBOBO-UHFFFAOYSA-N 381.288 4.758 0 40 GJAB O=c1oc2ccccc2n1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 48304216 PXUKDSUJGPAVIG-UHFFFAOYSA-N 376.359 4.785 0 40 GJAB O=C(Nc1nnc(C2CCC2)s1)c1cc(-c2ccccn2)nc2ccccc12 61720918 IDKUXWUBPOIJNV-UHFFFAOYSA-N 387.468 4.668 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 63887895 XXLTUZFXQVOFMH-UHFFFAOYSA-N 390.361 4.940 0 40 GJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1cc(OC)cc(OC)c1 72277177 CWDLPINWOZZHBI-GOTSBHOMSA-N 381.516 4.821 0 40 GJAB COc1ccc([C@H]2CCCN2c2cc(C(=O)OCc3cccs3)ccn2)cc1 72307775 DPTREZDXLFQIQI-HXUWFJFHSA-N 394.496 4.850 0 40 GJAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)C1 106028028 GFISXTLQLXURPB-XQQFMLRXSA-N 397.466 4.634 0 40 GJAB Cc1cc(C)c(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)c(C)n1 106606455 MIIXAPDCACTUNC-UHFFFAOYSA-N 375.259 4.752 0 40 GJAB CCSC[C@H]1CCCN1C1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 206792894 HSHWAVRMDTWTJX-HXUWFJFHSA-N 375.582 4.517 0 40 GJAB O=C(CSCc1ccccc1F)NCCSCc1cccc(Cl)c1 222699093 PAAWIHXNCADTKK-UHFFFAOYSA-N 383.941 4.762 0 40 GJAB CCc1ccc(CC)c(CNC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 223492487 HBJRMPQAUMMZDI-AWEZNQCLSA-N 390.321 4.658 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1cc(C)cc(C)c1 224108203 BWOYGLOBQDNULQ-FQEVSTJZSA-N 375.896 4.618 0 40 GJAB Cc1cccc(CN2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c1 224544777 DDIZCDIDMNQHOG-UHFFFAOYSA-N 390.449 4.542 0 40 GJAB Cc1ccc(SCCC(=O)NCc2ccccc2CN2CCCCC2)cc1 224807572 OMTWXFUFAICFBB-UHFFFAOYSA-N 382.573 4.780 0 40 GJAB S=C(NCCCn1ccnc1)Nc1ccc(CSc2ccccc2)cc1 225520828 BEKLLKDQRQJRNQ-UHFFFAOYSA-N 382.558 4.552 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)NCCCSc2ccc(C)cc2)c1 225587566 LQQYWYSHLCWNLJ-UHFFFAOYSA-N 388.558 4.559 0 40 GJAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccccc1Cl 408614979 KJMOVIYIRACFCM-UHFFFAOYSA-N 378.859 4.831 0 40 GJAB CCc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 408628898 XTGRMSWOYUPAOK-UHFFFAOYSA-N 375.906 4.639 0 40 GJAB O=C(NC(=S)NCc1ccco1)c1ccc(-c2cc(Cl)ccc2Cl)o1 408629137 ZYBINPLMGYBZMS-UHFFFAOYSA-N 395.267 4.651 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)cc1C 408653898 FOKQCFFLOCMOPJ-JOCHJYFZSA-N 399.490 4.853 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3)n2)c1 408697142 DZOOUODFSVONIA-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB CCCSC1=N[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N1 408986466 CMMAYYLMFJEEPS-LJQANCHMSA-N 380.513 4.805 0 40 GJAB O=C1NC(=O)/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)S1 409143306 MSMYUEOQGBSEIS-WQRHYEAKSA-N 398.871 4.698 0 40 GJAB O=C1CC[C@H](c2cccc(NC(=O)N[C@@H]3CC[C@@H](c4cccc(Cl)c4)C3)c2)N1 563576499 PQCHSRAXYHSOBC-CDHQVMDDSA-N 397.906 4.749 0 40 GJAB CC1(C)C[C@@H]2CN(C(=O)c3ccc(F)cc3F)CC[C@@H]2N1c1cccc(F)c1 1615159094 SVMLOOJYJXOGBU-VLIAUNLRSA-N 388.433 4.624 0 40 GJAB COc1ccc2cc([C@@H]3CC(c4cccs4)=NN3C(C)=O)c(Cl)nc2c1 644937 HSIVGVMQAPYDKZ-KRWDZBQOSA-N 385.876 4.656 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H](c1ccc(F)cc1)N1C(=O)C[C@H]1c1ccco1 1071244 UHCSFAQTYBBJCO-AVRDEDQJSA-N 392.430 4.689 0 40 GJAB O=C(c1cc2cc(Br)ccc2o1)N1CCc2c([nH]c3ccccc23)C1 1084292 IWFLOYYMFWLCPM-UHFFFAOYSA-N 395.256 4.875 0 40 GJAB O=S1(=O)c2ccccc2N[C@@H](c2ccccc2Cl)N1Cc1ccccc1 1098843 SICUWYLGUHSVTH-HXUWFJFHSA-N 384.888 4.655 0 40 GJAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)cc(OC)c1 1340014 CBMHALCPDNLFAC-UHFFFAOYSA-N 396.512 4.854 0 40 GJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)ccc1OC)C2 2499208 RCZHNTYZPLFHRB-OAHLLOKOSA-N 399.487 4.600 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@]23CC[C@](C)(c4nc5ccccc5nc42)C3(C)C)c1 2666725 MAMCMNZFJJCLMK-RPBOFIJWSA-N 399.494 4.800 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(Cl)cc1Br 3317961 XEESJXDLMBDTIA-CYBMUJFWSA-N 396.712 4.619 0 40 GJAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1cc(Cl)ccc1Cl 3348351 QTMJUIHTVLJAEW-MRVPVSSYSA-N 384.244 4.756 0 40 GJAB O=C(COC(=O)c1ccccc1NCc1ccco1)c1ccc(Cl)s1 3507098 VPQIFCCIHBUOBV-UHFFFAOYSA-N 375.833 4.646 0 40 GJAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C1(c2ccc(Cl)cc2)CCCC1 4027800 JFSDHQSBFRMQNC-FXAWDEMLSA-N 375.940 4.960 0 40 GJAB biogenic CC(=O)N1N=C(c2ccccc2)C[C@@H]1Cc1cc2cccc(C)c2nc1Cl 4176785 ZHBIGGNKZCPQKM-IBGZPJMESA-N 377.875 4.764 0 40 GJAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(Br)s1 4224072 DPEUYSCXBJXCPT-UHFFFAOYSA-N 393.287 4.779 0 40 GJAB CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1cccs1 4309057 LPYNINDVLWXBRU-UHFFFAOYSA-N 382.514 4.791 0 40 GJAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc1 4854465 YZZSZSAMDXJORL-HXUWFJFHSA-N 381.863 4.787 0 40 GJAB CCc1ccc(Cc2cnc(NC(=O)C3=Cc4ccccc4OC3)s2)cc1 5034345 JTRPOZBJRYZXEP-UHFFFAOYSA-N 376.481 4.711 0 40 GJAB CCCc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)cc1 5170843 OULKWLVRMGESMY-UHFFFAOYSA-N 398.484 4.681 0 40 GJAB Cc1cccc(-c2noc(CN(C)C(=O)C(c3ccccc3)c3ccccc3)n2)c1 5482911 PDXISXUBTRESBI-UHFFFAOYSA-N 397.478 4.836 0 40 GJAB Cc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3ccccc3)C(=O)O2)cc1 5600149 GXKOVNQEKFGILR-HMMYKYKNSA-N 383.403 4.559 0 40 GJAB CCN(CCNC(=O)Nc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 6144823 DKRGXFKCJCKTLD-UHFFFAOYSA-N 395.290 4.669 0 40 GJAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 6401018 STSVENOXEYIWNU-UHFFFAOYSA-N 386.451 4.645 0 40 GJAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3Cl)n2C)cc1 6963730 DLQMGLPZPYCDRZ-XDOYNYLZSA-N 386.904 4.855 0 40 GJAB Cc1ccc2c(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)cccc2n1 7388892 XVYJMIXMUMIXLK-UHFFFAOYSA-N 393.512 4.705 0 40 GJAB COC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2)ccc1Cl 8092192 ZZVXEKTYIWMYLG-UHFFFAOYSA-N 384.284 4.652 0 40 GJAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2ccccc2F)o1 8496617 CDSYSXZVGWQJDV-UHFFFAOYSA-N 396.447 4.759 0 40 GJAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 8657352 FDADHFYCNJMBAA-LJQANCHMSA-N 397.478 4.614 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3cccc(C)c3C)cc2c1 9411309 YXEYKWOGTFBTSG-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB CC(=O)CCc1ccc(Oc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)cc1 12321991 LLYWEZNDPALURL-UHFFFAOYSA-N 392.846 4.759 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 12623284 GZLLUFUUOFHFEG-KEYYUXOJSA-N 398.532 4.602 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c12 12776731 VKQQTDUHTZBPQL-UHFFFAOYSA-N 390.270 4.988 0 40 GJAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCN(c2ccccc2)CC1 13689596 SMQSPIOFEWEYLP-UHFFFAOYSA-N 397.931 4.734 0 40 GJAB CCOCN(C(=O)CSc1nc2c(C)cccc2[nH]1)c1c(C)cccc1CC 13943930 JMBWCKLDIRXWNV-UHFFFAOYSA-N 397.544 4.861 0 40 GJAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)c1C 14609732 IHIHLIQHAJEGLQ-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CCCCn1nc(C)c2c(C(=O)Nc3cc(F)ccc3F)cc(C3CC3)nc21 17078430 GAKCTYBTIUFQRV-UHFFFAOYSA-N 384.430 4.948 0 40 GJAB CCn1cc(CN2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)c(C)n1 19690502 FZGCSFJNKKKQJR-UHFFFAOYSA-N 392.522 4.716 0 40 GJAB CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccccc1F)C3 20412254 QWMDXBRCHFKKPY-UHFFFAOYSA-N 381.447 4.506 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1Cl 20494649 PPLWAWJEBZUGFK-NSHDSACASA-N 382.243 4.576 0 40 GJAB O=C(CSc1ncc2ccccn12)Nc1ccccc1Oc1ccccc1 24209741 VDQBWTVTPZICLN-UHFFFAOYSA-N 375.453 4.857 0 40 GJAB CC(C)(C)c1ccc(OC[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 28297121 LSAWKCRTZOFMIA-OAHLLOKOSA-N 392.421 4.793 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 31264618 JZGXHHBHLMDYHR-IBGZPJMESA-N 389.879 4.694 0 40 GJAB C[C@@H](SCc1ccccc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 40143325 MIOYVZGBCXWDON-MRXNPFEDSA-N 380.513 4.856 0 40 GJAB COc1ccc([C@@H]2C[C@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1OC 44859712 NILVFPRZURDMRP-MOPGFXCFSA-N 378.476 4.565 0 40 GJAB COC(=O)c1sc2nc(C)nc(N[C@H]3CCC[C@H](C(F)(F)F)C3)c2c1C 48277222 WBDFCIRTOPFTQG-QWRGUYRKSA-N 387.427 4.628 0 40 GJAB Cc1cc(C)cc(N(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 48312290 PSXQTTJUIMVSFH-UHFFFAOYSA-N 391.437 4.597 0 40 GJAB CCN(Cc1ccccc1)[C@H](c1ccc(Cl)cc1)c1nnnn1C(C)(C)C 57613822 LLZBBUSYDDCIHI-LJQANCHMSA-N 383.927 4.693 0 40 GJAB COc1ccccc1CCC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)sc21 58139499 AVQQOSZKRGCBKH-GOSISDBHSA-N 392.524 4.945 0 40 GJAB Fc1ccccc1-c1nnc(C2(c3cccc(C(F)(F)F)c3)CCOCC2)o1 71889775 HJQQOTBOWVKIAB-UHFFFAOYSA-N 392.352 4.991 0 40 GJAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1cc(OC)cc(OC)c1 72277178 CWDLPINWOZZHBI-PKTZIBPZSA-N 381.516 4.821 0 40 GJAB CCCCOc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)[nH]n2)cc1 72331574 VQSJNGUCRNOONM-OAHLLOKOSA-N 381.451 4.886 0 40 GJAB Cc1ccc(OCc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1C 72333570 YGBVSNHIAUIYAB-UHFFFAOYSA-N 394.544 4.849 0 40 GJAB Cn1cc(-c2ccco2)nc1CCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 90606990 KXRSDTZIJHOERA-UHFFFAOYSA-N 397.906 4.504 0 40 GJAB O=C(CSc1nc2ccccc2[nH]1)OCc1ncc(-c2ccccc2)s1 95452616 JSGBXQPHBJTADF-UHFFFAOYSA-N 381.482 4.522 0 40 GJAB CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccn2cncc2c1 96012095 HBTNNYZDWNQEPO-HXUWFJFHSA-N 388.515 4.696 0 40 GJAB CCN1C/C(=C/c2ccc(F)c(F)c2)c2nc3ccccc3c(C(=O)O)c2C1 96767618 ZMTYGLZBDYVUBN-ZROIWOOFSA-N 380.394 4.587 0 40 GJAB C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)c1cccnc1Sc1ccccc1Cl 101985350 KROFXLDECNWIHM-LRSRPGHXSA-N 398.919 4.728 0 40 GJAB COc1ccc([C@@H](NC(=O)c2ccc(N3CCC(C)CC3)cc2)C2CC2)cc1 141540751 MWRAQCWRIOFLIZ-QHCPKHFHSA-N 378.516 4.813 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 216357435 OZKWBLSPMCUKQR-KRWDZBQOSA-N 388.895 4.664 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219378052 QSBVOPSWRRPWCP-UXHICEINSA-N 397.515 4.888 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219601070 SNDMSTPYWNCKND-SFHVURJKSA-N 399.878 4.514 0 40 GJAB Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)CC2)cc1 223224150 MEFGYOBTHRPWEC-LJQANCHMSA-N 376.544 4.573 0 40 GJAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)C1(c2ccccc2)CCCC1 223338186 KUJOKUTVFFDLCS-UHFFFAOYSA-N 381.863 4.518 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCOc1cccc2ccccc12 223571418 XLZHQDWODHBAEV-NRFANRHFSA-N 377.484 4.809 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccccc1C(C)(C)C 223732998 GRTBMFPVHIFIFW-NRFANRHFSA-N 383.532 4.954 0 40 GJAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1 224089545 ULKKOZPOLFDNPR-UHFFFAOYSA-N 375.424 4.729 0 40 GJAB COc1ccc(C(=O)NCc2ccco2)cc1COc1cc(C)cc(C)c1C 224275215 LQIROZORUNJTEV-UHFFFAOYSA-N 379.456 4.722 0 40 GJAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc(OC)cc1 224595819 AFTJXAUIGWHZRP-UHFFFAOYSA-N 383.488 4.735 0 40 GJAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 224711737 JUYFEKRLUMMMIF-HRAATJIYSA-N 379.500 4.751 0 40 GJAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc(Br)c3)oc2c1 226270992 KADLFULLAWCWFZ-UHFFFAOYSA-N 399.166 4.782 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(N)cc2Br)o1 226304726 MSGMRUFGLHWUIT-VXGBXAGGSA-N 377.282 4.694 0 40 GJAB Nc1nc2c(Cl)cc(NC(=O)c3cccc(Br)c3)cc2s1 226310459 KXBXNRSCNSLJBC-UHFFFAOYSA-N 382.670 4.547 0 40 GJAB Cc1nc2ccccn2c1-c1nnc2sc(Cc3cccc4ccccc34)nn12 227143305 QJQBKAMXAHBOQR-UHFFFAOYSA-N 396.479 4.553 0 40 GJAB COc1ccc(-c2cccc(CC3(C(=O)N4CCCCC4)CCOCC3)c2)cc1 257198340 ZNGXLBJVTBGDDY-UHFFFAOYSA-N 393.527 4.714 0 40 GJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260812298 ADCBJVWJXQDTNH-AUSIDOKSSA-N 390.568 4.720 0 40 GJAB CCc1ccccc1NC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408676875 OQPOFUPSBHSRKF-UHFFFAOYSA-N 398.462 4.999 0 40 GJAB CC(C)C[C@H](NC(=O)N1CCC12CCOCC2)c1cccc(C(F)(F)F)c1 683414703 ARVUXOUKZVBEQK-KRWDZBQOSA-N 384.442 4.757 0 40 GJAB CCOc1cccc(-c2nn3c(CSCc4ccccc4)nnc3s2)c1 1501039866 BXXDSBHOCDRQPB-UHFFFAOYSA-N 382.514 4.685 0 40 GJAB CN([C@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1 1561103524 XIMFPPVVWFXPAB-HXUWFJFHSA-N 389.879 4.889 0 40 GJAB CC[C@H]1CCCCN1C(=O)CSc1nnc2c(C)cc3c(C)ccc(C)c3n12 929709 QAYXIBCBOGAQGK-KRWDZBQOSA-N 396.560 4.691 0 40 GJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cc(C)cc(C)c1 951969 VIUQRWBGXBKEGW-UHFFFAOYSA-N 378.428 4.559 0 40 GJAB COc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(Cl)nc2c1 1249062 WNUCBBSWWASGKB-NRFANRHFSA-N 393.874 4.903 0 40 GJAB CCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 1336654 BEZRXLHVBHHXEI-UHFFFAOYSA-N 386.879 4.866 0 40 GJAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cl)cc3F)ccc12 2633688 LEMCHVLDFCCJAB-UHFFFAOYSA-N 389.810 4.556 0 40 GJAB O=C(NC(=S)Nc1nc2c(s1)CSc1ccccc1-2)c1ccccc1 3193884 SKTHSDPQLSKNQI-UHFFFAOYSA-N 383.523 4.543 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCC3)cc2)n1 3333507 LYUCBVGTRSPFEF-UHFFFAOYSA-N 394.906 4.995 0 40 GJAB COc1ccc(OC(=O)c2cc(Br)c(Br)s2)cc1 3337068 YRMVPAWOHYYQEH-UHFFFAOYSA-N 392.068 4.501 0 40 GJAB O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)c1ccco1 3362916 IYXKYYVWEJDSTI-UHFFFAOYSA-N 386.285 4.983 0 40 GJAB CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2)CC1 4123049 RNBYZTKJUYXFAW-UHFFFAOYSA-N 387.936 4.703 0 40 GJAB Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 4681976 RQKCSTXXGLPMMM-UHFFFAOYSA-N 380.469 4.635 0 40 GJAB COc1cccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccc(C)cc2)c1 4887976 UKSFNFGETNNHFS-FRIKZZABSA-N 393.531 4.711 0 40 GJAB CCC(=O)Nc1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1 5856414 DODZPWOIMLWLMD-UHFFFAOYSA-N 375.222 4.614 0 40 GJAB CCOc1ccc2nc(NC(=O)c3ccc(OC(F)(F)F)cc3)sc2c1 6270991 YRNCBDLMBSLKGH-UHFFFAOYSA-N 382.363 4.846 0 40 GJAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1Cl 6565739 PQRHJEDHFPOLDC-FQEVSTJZSA-N 375.859 4.930 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1C(F)(F)F 6586440 BNEFUQKHPFWCNJ-JKIFEVAISA-N 386.410 4.866 0 40 GJAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 6635812 PTKDAJJFIOCIMX-WLSWZUKCSA-N 385.510 4.684 0 40 GJAB O=C(Nc1ccc2c(c1)ncn2CCc1ccccc1)c1c(F)cccc1F 6662545 FOZSRXKKWIHMJV-UHFFFAOYSA-N 377.394 4.810 0 40 GJAB CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)[C@H](C)Oc1cccc(Cl)c1 6737007 QSMNDABMOPANIC-HNNXBMFYSA-N 399.878 4.595 0 40 GJAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCC(Cc2ccccc2)CC1 6811262 DHVMTCSDMVYLJN-UHFFFAOYSA-N 381.859 4.541 0 40 GJAB C[C@H](Oc1ccccc1F)c1nnc(S[C@H](C)C(=O)c2ccc(F)cc2)o1 7137691 CWUQIZPKGXTYRA-NWDGAFQWSA-N 390.411 4.851 0 40 GJAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(-c2ccccc2)cc1)CC3 7157470 YVEFWDKZSBDOOT-XMHGGMMESA-N 394.430 4.706 0 40 GJAB COc1ccc(OC)c([C@H]2CCCN2Cc2cc(=O)oc3c(C)c(C)ccc23)c1 7718365 GQWAVFJNMMCYBO-OAQYLSRUSA-N 393.483 4.764 0 40 GJAB Cc1ccccc1OCCSc1nc2sccc2c(=O)n1-c1ccccc1 8229832 NUVWSUNSKFMTKE-UHFFFAOYSA-N 394.521 4.927 0 40 GJAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(OCc2cscn2)cc1 8275917 ZHNQFQHPSIEMTN-UHFFFAOYSA-N 393.295 4.959 0 40 GJAB Cc1ccc2oc(C(=O)N3[C@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)cc(=O)c2c1 12181153 VMTYDNGJTKNZGH-JLYLLQBASA-N 391.442 4.791 0 40 GJAB COc1ccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)cc1 12223567 YJMVFLIHXFMVQI-UHFFFAOYSA-N 392.484 4.866 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 12793090 KUDWUQRXASCUMA-CRAIPNDOSA-N 396.512 4.687 0 40 GJAB Cc1cc(C)n(-c2ccc(=S)n(CN(C)Cc3ccc(C(C)C)cc3)n2)n1 12944607 UNNOXGIMKSVKGW-UHFFFAOYSA-N 381.549 4.628 0 40 GJAB COc1ccc(OCCCC(=O)NCCSCc2cccc(Cl)c2)cc1 14401916 RZRREDGJAYYIRE-UHFFFAOYSA-N 393.936 4.557 0 40 GJAB Cc1ccc(-c2nnc(CNC(=O)c3ccccc3-c3ccccc3)o2)s1 19217955 NLUHTCOBAHXDSY-UHFFFAOYSA-N 375.453 4.704 0 40 GJAB CCOc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)c(C)cc1OC 19531791 SMDFUIRWMAZQNF-SVGJNIJCSA-N 399.506 4.556 0 40 GJAB CCn1c(SCc2nnc(-c3cccc(C)c3)o2)nnc1-c1cccc(C)c1 19927649 PHAZMAAQYPIETG-UHFFFAOYSA-N 391.500 4.924 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccc(Cl)cc1 20108792 DGFLMWLAEVHCDQ-LJQANCHMSA-N 377.937 4.855 0 40 GJAB CC(C)OC(=O)c1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 20411800 KEVFNTILEKJNLN-UHFFFAOYSA-N 388.876 4.696 0 40 GJAB C[C@H](Oc1ccccc1Cl)C(=O)NCCc1csc(-c2ccccc2)n1 28288496 ASJRHLYKDULEGA-AWEZNQCLSA-N 386.904 4.590 0 40 GJAB CCN(CC)[C@@H](CNC(=O)COc1ccccc1)c1ccc(C(C)(C)C)cc1 28290584 NOGPRKNBYSZKDH-QFIPXVFZSA-N 382.548 4.562 0 40 GJAB Cc1ccccc1O[C@H](C)C(=O)NCCSCc1c(F)cccc1Cl 30854997 XVSDCWMINBGCDI-CQSZACIVSA-N 381.900 4.604 0 40 GJAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OCCC)cc2)cc1OC 32115441 BGSXDGPGPCQTKJ-UHFFFAOYSA-N 384.476 4.865 0 40 GJAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1cc(F)c(F)cc1Cl 32610099 VNWVXHPXGFAOLL-UHFFFAOYSA-N 393.796 4.871 0 40 GJAB Cc1cccc(Cn2nc(C)c(NC(=O)c3ccc(OC(C)C)cc3)c2C)c1 32647597 MLTAPKUIRSDKJG-UHFFFAOYSA-N 377.488 4.896 0 40 GJAB CC(=O)c1cc2c(cc1NC(=O)c1cccc(OCc3cccs3)c1)OCO2 33153464 ZPGOYDAVJSDZKS-UHFFFAOYSA-N 395.436 4.511 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c(C)c1 36617463 WFGFKXSVQSEENB-CQSZACIVSA-N 375.428 4.899 0 40 GJAB Cc1ccc(NC(=O)Cc2ccc(SC(C)C)cc2)cc1N1CCCC1=O 38677645 MKQHPQLYOVLTIQ-UHFFFAOYSA-N 382.529 4.804 0 40 GJAB O=C1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2c1ccc1ccccc21 39226872 IUGIFICNTBBMEI-UHFFFAOYSA-N 375.443 4.979 0 40 GJAB Cc1nn(C(C)C)c(C)c1CN(CCCn1ccnc1)Cc1ccccc1F 43277863 JWKZFVTUZRPXDM-UHFFFAOYSA-N 383.515 4.509 0 40 GJAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44932895 FSDONOWWWAUSTK-KNQAVFIVSA-N 382.935 4.746 0 40 GJAB CC(C)N1CCC(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 57801422 DZHKTKBRWMZAEX-UHFFFAOYSA-N 380.410 4.568 0 40 GJAB C[C@@H](NC(=O)Nc1ccc(Br)cc1)c1nc(-c2ccccc2)c[nH]1 58325523 WOOGTAJVQLCBGC-GFCCVEGCSA-N 385.265 4.722 0 40 GJAB CC(C)c1nccn1CC1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 62129931 DOJVOVUTUKADBQ-UHFFFAOYSA-N 394.544 4.682 0 40 GJAB Cc1cc(SCC(=O)Nc2ccccc2Cl)nc(-c2cccc(F)c2)n1 67257275 WBXXPVRTDFAHQA-UHFFFAOYSA-N 387.867 4.975 0 40 GJAB CCOCCOc1cccc(C(=O)N[C@H](c2ccccc2)c2cccc(C)c2)c1 67319182 SIWNCOQSGIEAHU-XMMPIXPASA-N 389.495 4.930 0 40 GJAB Cc1ccc([C@H]2c3ccccc3NC(=O)CN2C(=S)Nc2ccccc2)cc1 72314716 DNGCTHQTJBNJHI-QFIPXVFZSA-N 387.508 4.736 0 40 GJAB Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 72359458 MBLOMTDHWILZOY-QFIPXVFZSA-N 385.511 4.791 0 40 GJAB CCCCN(C)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C 96037381 DSMSWHOXPXVUBE-UHFFFAOYSA-N 382.508 4.579 0 40 GJAB CC(C)c1nc(-c2cc(C(=O)N(C)Cc3ccccn3)c3ccccn23)cs1 96154835 DWMQBVWQXOINQI-UHFFFAOYSA-N 390.512 4.853 0 40 GJAB CCCCNC(=O)N1CCN([C@H](c2ccccc2)c2cc(C)ccc2C)CC1 96183734 PEDOCGWUIFLDLM-HSZRJFAPSA-N 379.548 4.520 0 40 GJAB Fc1cccc(COc2ccc(C(=S)N3CCCC3)cc2Br)c1 107540475 BBDBWFWFIQHPHQ-UHFFFAOYSA-N 394.309 4.939 0 40 GJAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1ccc(C(F)(F)F)cc1 207966119 DTXXMAIXMGAWSQ-INIZCTEOSA-N 397.443 4.840 0 40 GJAB C[C@@H](CNC(=O)CSCc1ccc(Br)cc1)c1ccccc1 223453894 DFFPTCWCLFYIDW-AWEZNQCLSA-N 378.335 4.602 0 40 GJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225703002 QVCYSODXJMAESH-QHCPKHFHSA-N 390.568 4.865 0 40 GJAB COC(=O)c1c(NC(=O)/C(=C/c2ccco2)c2ccccc2)sc2c1CCC2 408563735 OWXKMQXUDMUSLO-GHRIWEEISA-N 393.464 4.796 0 40 GJAB Cc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(F)cc3)n2)cc1 408693561 AAGQPDFJQQYWSG-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB O=C(O)Cc1sc(=Nc2cccc(Cl)c2Cl)[nH]c1-c1cccs1 408887281 PFGJFXWZAQQMIR-UHFFFAOYSA-N 385.297 4.971 0 40 GJAB CCn1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc21 409124376 BNIGCVMZRANKFG-NDENLUEZSA-N 390.464 4.580 0 40 GJAB O=C(O)c1cccc(CN2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1 585183366 QTXWPSKCQUJYOL-HXUWFJFHSA-N 396.874 4.954 0 40 GJAB O=C(CCc1ccc(C(F)(F)F)cc1)NCC1(c2ccsc2)CCOCC1 952990386 YVNPRXQUIDMOMY-UHFFFAOYSA-N 397.462 4.564 0 40 GJAB COc1ccc(OC)c(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1 784497 MKFHNOQURWCEBC-UHFFFAOYSA-N 380.425 4.677 0 40 GJAB CSc1c(CC(=O)Nc2cccc(Br)c2)n(C)c2ccccc12 1080865 OOIBXRPEEYLCKH-UHFFFAOYSA-N 389.318 4.844 0 40 GJAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 2246894 QUIGEOYMAQFVPO-OAQYLSRUSA-N 393.512 4.743 0 40 GJAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1cccc2ccccc12 2637518 WOHWXUQDZXAOTC-UHFFFAOYSA-N 390.464 4.564 0 40 GJAB O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1-c1ccccc1 2642308 GLVBUOONZHYLDO-UHFFFAOYSA-N 386.480 4.665 0 40 GJAB O=C(Nc1ccccc1Cl)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 2652658 IXVZCGTWVMGMMO-OAQYLSRUSA-N 390.870 4.546 0 40 GJAB COc1cc(/C=C2/SC(=S)N=C2O)ccc1OC(=O)c1cccc(C)c1 3035927 XWIKWQODBBBZKY-MHWRWJLKSA-N 385.466 4.552 0 40 GJAB S=C(NNc1nc2ccccc2o1)Nc1ccc(Oc2ccccc2)cc1 3264635 JCTVOGMUWJZDPH-UHFFFAOYSA-N 376.441 4.934 0 40 GJAB Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2C(F)(F)F)c(Cl)c1 3344150 HPZVJHLIGMJLFM-UHFFFAOYSA-N 385.769 4.771 0 40 GJAB Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc3oc(=O)sc3c2)c1C 3653586 GIWDXOIRLNUEEG-UHFFFAOYSA-N 391.514 4.570 0 40 GJAB O=C(Oc1ccc([C@H]2N=C(O)c3ccccc3N2)cc1)c1ccccc1Cl 4108252 MDZQMLIJAHQYBK-LJQANCHMSA-N 378.815 4.988 0 40 GJAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1ccccc1OC 4849366 QOSSGYJKORZCNZ-UHFFFAOYSA-N 382.485 4.545 0 40 GJAB O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1cccs1 5063986 TWMOEHGEPNKFIC-UHFFFAOYSA-N 397.463 4.772 0 40 GJAB C=C1c2cc3c(cc2CCN1C(=O)C1(c2ccc(Cl)cc2)CCCC1)OCO3 5345421 VXCJZNZRWDAIIF-UHFFFAOYSA-N 395.886 4.936 0 40 GJAB C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1ccc(N2CCCCC2)cc1 5628808 RCLIAAOEKXMWKV-HNNXBMFYSA-N 381.501 4.937 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c(OC)c1 5930298 UPQRUIUPWZPQSQ-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB CCCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(O)nn2C(CC)CC 5965519 FHWNJEXKULOXKI-SFHVURJKSA-N 389.521 4.513 0 40 GJAB Cc1ccccc1-c1nc(C(=O)NC[C@H]2CCCO2)cc2c1[nH]c1ccccc12 6090661 RUSUXRPGRDIYCP-MRXNPFEDSA-N 385.467 4.600 0 40 GJAB biogenic Cc1nc(NC2CCN(Cc3ccccc3)CC2)c2c3c(sc2n1)CCCC3 6566728 BBAJULAVTAXERN-UHFFFAOYSA-N 392.572 4.955 0 40 GJAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)cc1 6629876 ORJJZYPXJMGFBD-UHFFFAOYSA-N 389.952 4.617 0 40 GJAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c(C)c1 6629943 FBJRSTNLNUAYKB-UHFFFAOYSA-N 375.925 4.621 0 40 GJAB Cc1ccc(CN2C(=O)N(c3ccccc3C)S(=O)(=O)c3ccccc32)cc1 7615812 MUQUIQWTYMKXEG-UHFFFAOYSA-N 392.480 4.639 0 40 GJAB CCN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)C1=CCCCC1 7763802 APGDOOGIVITONU-UHFFFAOYSA-N 388.562 4.740 0 40 GJAB COc1ccc2nc(S[C@H](C)C(=O)c3ccc(NC(=O)C(C)C)cc3)[nH]c2c1 7901436 KSVOQKFNTQTTHP-CYBMUJFWSA-N 397.500 4.530 0 40 GJAB CCn1c(SCCCOc2ccccc2C=O)nnc1-c1ccc(C)cc1 8731809 MDYRXPZZFVCSMJ-UHFFFAOYSA-N 381.501 4.647 0 40 GJAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-n2ccnc2)cc1 9378106 RAQSDJPQMOZFRF-LJQANCHMSA-N 381.479 4.882 0 40 GJAB CCOc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1 9816692 GDBHJZNVLWDELA-UHFFFAOYSA-N 384.657 4.519 0 40 GJAB Cc1nc2ccc(NC(=O)c3c[nH]c(=S)n3-c3ccc(F)cc3)cc2s1 10558096 JIGZZORWFZBHGB-UHFFFAOYSA-N 384.461 4.844 0 40 GJAB O=C(COc1ccc(F)cc1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 10690547 TWBMEJZSCRMHDA-NRFANRHFSA-N 388.442 4.634 0 40 GJAB COc1ccc([C@H](CNC(=O)Nc2cccc3ccccc23)N2CCCC2)cc1 11004550 FXNKBNRAYCWCFB-QHCPKHFHSA-N 389.499 4.807 0 40 GJAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 12919588 OTOUDZYKGMGWDS-ZDUSSCGKSA-N 398.507 4.623 0 40 GJAB CCCCCNc1cccc2c(S(=O)(=O)Nc3onc(C)c3C)cccc12 13741050 FGLMWLPVEOAXOS-UHFFFAOYSA-N 387.505 4.848 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 13843227 VHYZZEXWEFQUTF-UHFFFAOYSA-N 386.407 4.506 0 40 GJAB COc1ccc(CCN(Cc2ccncc2)Cc2ccc(F)c(F)c2)cc1OC 13989525 VUSVSHAEXCLGPE-UHFFFAOYSA-N 398.453 4.622 0 40 GJAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c1 13997898 BMNNCVFOGPIYQK-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCCc1n[nH]c(S[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2ccccc2)n1 14075571 ITOIXKSXWRWROV-LJQANCHMSA-N 380.517 4.846 0 40 GJAB Cc1ccc(NC(=O)c2ccc(CSc3ncnc4nc[nH]c34)cc2)c(C)c1 18249727 WYBJTSUOVWBNPK-UHFFFAOYSA-N 389.484 4.514 0 40 GJAB aggregator CCOc1cc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)ccc1OC 19532137 VHQLWTOYEAFHMI-KRWDZBQOSA-N 388.558 4.994 0 40 GJAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)o1 19581041 MLUYUJDQNWSASO-AWEZNQCLSA-N 389.455 4.716 0 40 GJAB O=C(C1c2ccccc2Oc2ccccc21)N1CCc2[nH]c3ccccc3c2C1 20744780 BXCSDEAOAOGXKW-UHFFFAOYSA-N 380.447 4.990 0 40 GJAB biogenic CN(C)CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 22075826 HOOLFRNZOPGSEB-UHFFFAOYSA-N 387.738 4.877 0 40 GJAB Cc1c(C(=O)Nc2cc(F)cc(F)c2)cnn1-c1cccc(C(F)(F)F)c1 22502188 WGWIVGQXOLGXMF-UHFFFAOYSA-N 381.304 4.730 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCc1csc(-c2ccc(C)cc2)n1 28288810 AMGQPSDTFVWTHL-FQEVSTJZSA-N 398.503 4.774 0 40 GJAB CC(C)[C@H](NCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 29964570 IZXOVNQXOYBJDV-DEOSSOPVSA-N 388.515 4.675 0 40 GJAB CCc1ccc(O)c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]n2)c1 38703834 SDZHDLMTVFTIGV-UHFFFAOYSA-N 375.350 4.616 0 40 GJAB O=C(Nc1ccccc1F)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849234 RXIGXSRMSWJDMF-CYBMUJFWSA-N 381.278 4.983 0 40 GJAB CCCOc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)c(C)c1 48362705 XHPWNQABTDRDCR-FQEVSTJZSA-N 388.895 4.643 0 40 GJAB COc1ccc(CN2Cc3c(sc(C)c3C)N(C(=O)c3ccccc3)C2)cc1 54281427 OKMPJOXDASDMQN-UHFFFAOYSA-N 392.524 4.994 0 40 GJAB C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)cc1 57322889 IXLCCPCCHPSHAW-OAHLLOKOSA-N 384.451 4.547 0 40 GJAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc2c(O)[nH]c(=S)nc2c1 63809468 OABKFUBZVHIRLC-INIZCTEOSA-N 385.876 4.532 0 40 GJAB C[C@@H](C(=O)Nc1ccc(Cl)c(F)c1)n1c(-c2cccs2)n[nH]c1=S 65515385 LIPYMZAIMQPZIC-QMMMGPOBSA-N 382.873 4.661 0 40 GJAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)c1 72358643 IUHSSPMOIBUJJF-JOCHJYFZSA-N 385.511 4.791 0 40 GJAB O=C(CN1CCC[C@H]1c1ccncc1)Nc1ccc(Cl)cc1C(F)(F)F 89768350 OAHDXFJUHWCCON-INIZCTEOSA-N 383.801 4.529 0 40 GJAB CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1cccc(NC(=O)NC2CC2)c1 95958910 CRBZKDCAQXQHQG-OAQYLSRUSA-N 394.519 4.509 0 40 GJAB CC(=O)c1cccc(NC(=O)[C@]23CC[C@@](C)(c4nc5ccccc5nc42)C3(C)C)c1 100641876 MAMCMNZFJJCLMK-DQEYMECFSA-N 399.494 4.800 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)NCCOc3cccc4ccccc34)cc2)n1 116174851 OCLXODXKDAZVBD-UHFFFAOYSA-N 399.494 4.510 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C(=O)OC)ccc1Cl 216489654 WBNUHNSXQSKDQC-QGZVFWFLSA-N 375.852 4.540 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219326080 ZFJPCWUZDNVVJM-SFHVURJKSA-N 399.878 4.514 0 40 GJAB CC[C@H](Oc1ccc(C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219600897 PGFUZZHBBKAGDA-SFHVURJKSA-N 399.878 4.514 0 40 GJAB C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 222974350 FMVZSZDWRNYMCN-IBGZPJMESA-N 376.544 4.655 0 40 GJAB CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1 223724332 MMLKKPMKQPLHGQ-UHFFFAOYSA-N 387.888 4.953 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224453165 SWQKKOKWRXESBE-JOCHJYFZSA-N 383.532 4.954 0 40 GJAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1ccc2ccccc2c1 224647698 WNBFHMZZRSDRCY-QGZVFWFLSA-N 393.483 4.582 0 40 GJAB CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224954091 LWGJDXOKUVUZNU-UHFFFAOYSA-N 393.814 4.583 0 40 GJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225688993 NKCYYBFGCZIZKG-QHCPKHFHSA-N 390.568 4.721 0 40 GJAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C 225700203 YUUYULMQGMXYQQ-UHFFFAOYSA-N 394.515 4.637 0 40 GJAB CCOc1ccccc1CCC(=O)NCc1ccc(Oc2nccs2)cc1 238859668 KKWPRIAIFLZMRQ-UHFFFAOYSA-N 382.485 4.583 0 40 GJAB Cc1ccc(OC[C@@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)CC2)c(C)c1 257243080 IFJWHIVWLJRCBX-XMMPIXPASA-N 378.516 4.581 0 40 GJAB CC[C@@H](C)NC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1 257276161 NSOXJLFNZVAYJN-GOSISDBHSA-N 381.516 4.616 0 40 GJAB COc1ccc(OC)c(-c2ccc(OC(=O)c3cccc4ccccc34)nn2)c1 408533749 SBNGHWQMFRPFFA-UHFFFAOYSA-N 386.407 4.533 0 40 GJAB Cc1ccc(CC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408714202 LCTJTKXSKTWVDO-UHFFFAOYSA-N 377.488 4.544 0 40 GJAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1C 409003280 RPKWFXTUPNRLTQ-IFXJQAMLSA-N 388.895 4.928 0 40 GJAB O=C(NCc1ccc(Cl)cc1)NC[C@@H](O)c1ccc(-c2cccs2)s1 585148320 YSVIFVNDZHQACE-CQSZACIVSA-N 392.933 4.663 0 40 GJAB Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 654059005 VEIDWDYOKMIQFR-WMZOPIPTSA-N 393.409 4.679 0 40 GJAB O=C(C[C@]12CCCC[C@H]1C2(F)F)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 665863170 YCAUUUPXTNUCKH-BAGYTPMASA-N 395.453 4.984 0 40 GJAB Cc1nc(C)c(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)s1 1615123080 BZXOKVATGGANTB-OAQYLSRUSA-N 387.524 4.563 0 40 GJAB COc1c(C)cccc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615159049 SIZHULSKUWJKOQ-UTKZUKDTSA-N 396.506 4.662 0 40 GJAB CC(C)C(=O)N[C@@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl 725873 CLGFRHADUHBLOP-LLVKDONJSA-N 378.514 4.874 0 40 GJAB COc1ccccc1NCN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 974913 TUYVMDVJPHNIEL-XDHOZWIPSA-N 382.485 4.925 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3)C3CCCC3)cc2c1 1353024 OXJFXPJTFXQGQF-UHFFFAOYSA-N 375.472 4.813 0 40 GJAB Cc1nc2sc3c(N4CCC(C)CC4)ncnc3c2c2c1COC(C)(C)C2 2297653 RQWGOSVCJIPWMM-UHFFFAOYSA-N 382.533 4.636 0 40 GJAB C[C@H]1CCCCN1C(=O)CSc1ncnc2sc(-c3ccccc3)cc12 2626988 JYSAFFRRWBMAHN-AWEZNQCLSA-N 383.542 4.851 0 40 GJAB CC(=O)N[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4023322 UORSHAGGYHADPG-ORGQAWTRSA-N 387.564 4.632 0 40 GJAB biogenic COCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 4150585 PTUWZIHJUNFZQP-HIKRFXOYSA-N 390.527 4.749 0 40 GJAB Cc1ccccc1OCc1nn(CN2CCCCC2)c(=S)n1-c1ccccc1 5588618 KBOLQVGOOKUVQI-UHFFFAOYSA-N 394.544 4.734 0 40 GJAB Cc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3O)nc2c1 5747606 WHERQKYVKJMGFA-UHFFFAOYSA-N 388.423 4.835 0 40 GJAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(O)cc3)c3ccccc3C2=O)c(C)c1 6063649 DAGIUYJCGWEELQ-KGENOOAVSA-N 384.435 4.649 0 40 GJAB CC(C)Cc1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1 6459378 WZBSWHZBPHRZHB-UHFFFAOYSA-N 389.484 4.599 0 40 GJAB COc1ccccc1[C@H](C)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 6552832 PVNAWRPZAOTVJQ-ZDUSSCGKSA-N 384.476 4.686 0 40 GJAB O=C(Oc1ccccc1F)c1nc(SCc2ccccc2F)ncc1Cl 6748055 QGBHSJQIUWBURV-UHFFFAOYSA-N 392.814 4.920 0 40 GJAB COc1ccc(-c2nnc(S[C@H](C)c3nnc(-c4cccs4)o3)o2)cc1 6842899 GQGINSJEJCCFKD-SNVBAGLBSA-N 386.458 4.710 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1F 6998096 DMVDNYUILZZUMH-FQEVSTJZSA-N 396.849 4.979 0 40 GJAB CCOc1ccccc1C[C@@H]1SC(=O)N(Cc2ccccc2Cl)C1=O 7066095 ZMJFTOWJACBUGK-KRWDZBQOSA-N 375.877 4.545 0 40 GJAB Cc1cc(C)c2nc(N(CCCn3ccnc3)C(=O)c3cccs3)sc2c1 7424750 IQBXMDCMCLTTHR-UHFFFAOYSA-N 396.541 4.908 0 40 GJAB COc1ccc(-c2nc(-c3ccc(CC[C@@H](C)NC(C)=O)cc3)cs2)cc1 7643738 NRZDWLRINXYJQR-OAHLLOKOSA-N 380.513 4.943 0 40 GJAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)/C=C/c1ccco1 7979419 SRJVHWMJQOIXJO-PKNBQFBNSA-N 386.245 4.974 0 40 GJAB CCC(=O)c1ccc(OCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cc1 8074467 VPEYAGKIWQCHKI-QFIPXVFZSA-N 395.499 4.811 0 40 GJAB Cc1cc(C)c(C)c(C(=O)CSc2nnc(Cc3ccccc3)n2C)c1C 8316068 LCKAZBSKHHVMOM-UHFFFAOYSA-N 379.529 4.615 0 40 GJAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(c2c[nH]c3ccccc23)CC1 10884214 QNLVOBVXPWWOON-OAQYLSRUSA-N 380.875 4.531 0 40 GJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(F)cc1F 12226397 UQAQEHINYPAARJ-UHFFFAOYSA-N 384.304 4.584 0 40 GJAB Cc1ccc(CNC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1F 12525478 USTIXLXESNUWHR-UHFFFAOYSA-N 397.450 4.508 0 40 GJAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1OCC(F)(F)F 12778512 GAMCMZFABVPGGR-UHFFFAOYSA-N 382.363 4.525 0 40 GJAB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC([C@@H](O)c2ccccc2)CC1 12917069 NBMHSRCDCWUWTJ-DEOSSOPVSA-N 388.511 4.633 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1 12993291 XCPJSYITEOHYBE-UHFFFAOYSA-N 390.487 4.713 0 40 GJAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 13228243 NDEIAQZAUWZVKA-OAQYLSRUSA-N 382.419 4.555 0 40 GJAB Cc1ccc(-c2csc3[nH]c(CN(C)Cc4ccccc4)nc(=O)c23)cc1 13682803 WDONVFSQRJZLAA-UHFFFAOYSA-N 375.497 4.592 0 40 GJAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc(Cl)c(Cl)c1 14424014 SONVTQOBBAGJKT-UHFFFAOYSA-N 377.271 4.918 0 40 GJAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1cccc(Cl)c1)c1ccccn1 15669868 PJUNTXAGYSXQCE-UHFFFAOYSA-N 390.826 4.688 0 40 GJAB Cc1ccc(Cc2c(C)nc(Nc3nc(C)c4cc(C)cc(C)c4n3)[nH]c2=O)cc1 20673281 KHLKMWOOIDUWJX-UHFFFAOYSA-N 399.498 4.590 0 40 GJAB CC(C)COc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCCC2)cc1 21148723 DWIYMQUEGWQTQY-QFIPXVFZSA-N 386.580 4.982 0 40 GJAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)Nc1ccccc1 23042873 TZQYNBRICXFABF-UHFFFAOYSA-N 399.494 4.798 0 40 GJAB O=C(c1ccc(Cl)o1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 24592897 KFSCNCBRYGWRII-UHFFFAOYSA-N 375.833 4.613 0 40 GJAB COc1cccc(-c2nc(C(=O)Nc3ccc(F)c(Cl)c3)cs2)c1OC 24834900 IYEOHCYXDLBMLJ-UHFFFAOYSA-N 392.839 4.872 0 40 GJAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(F)cc1Cl 24931518 BDNJQLVLRITCGA-IBGZPJMESA-N 383.854 4.531 0 40 GJAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 25302102 AIADJPMYCPGYTO-PXAZEXFGSA-N 375.428 4.552 0 40 GJAB COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)cc1Cl 27662194 ZZLQVXQJSHWNMT-HXUWFJFHSA-N 386.923 4.614 0 40 GJAB COc1ccc(Cn2nccc2NC(=O)C(c2ccccc2)c2ccccc2)cc1 28292705 CTGIVVKQYCLURP-UHFFFAOYSA-N 397.478 4.711 0 40 GJAB CCOc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2)cc1 28579261 RBFKYORPNYUOKQ-UHFFFAOYSA-N 385.460 4.620 0 40 GJAB Cc1ccc(-c2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)n2C)cc1 29292255 WOVGHXZWIZFDEX-UHFFFAOYSA-N 397.891 4.786 0 40 GJAB COc1ccccc1-c1cc(C(=O)Nc2nc3c(C)cc(C)cc3s2)no1 30035159 CNTAWVNBDPYXNI-UHFFFAOYSA-N 379.441 4.829 0 40 GJAB O=C(c1ccoc1)N1CCC(NCc2ccc(-c3ccc(F)cc3)s2)CC1 30668637 IDBVTPSOIGSRJO-UHFFFAOYSA-N 384.476 4.542 0 40 GJAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(N2CCCC2=O)cc1 31335139 JCWHMVPVAWYFDL-ZDUSSCGKSA-N 391.298 4.953 0 40 GJAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1 32095837 MIHXJJVTNJZUJO-MRXNPFEDSA-N 398.825 4.823 0 40 GJAB Cc1nc(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n(C2CC2)c1C 32894116 QRNQNXCVKMFJLG-BZSISCHUSA-N 387.593 4.648 0 40 GJAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)c1 36354668 RWOSDYQMSJSAOI-CQSZACIVSA-N 383.835 4.667 0 40 GJAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(C)n(C(C)C)n3)c12 36614114 WAVPULIHMKFFRG-UHFFFAOYSA-N 393.422 4.675 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 39761942 AHTZYSNSXNARLB-UHFFFAOYSA-N 376.422 4.865 0 40 GJAB Clc1ccc(Cl)c(OCc2nn3c(-c4ccccc4)nnc3s2)c1 45221517 QPOXRAVICGZRKX-UHFFFAOYSA-N 377.256 4.739 0 40 GJAB C[C@@H](OC[C@H](O)CN1C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1 45821580 LTBPAROLKUYQDA-RDTXWAMCSA-N 381.859 4.592 0 40 GJAB Cc1ccc(CN2COc3ccc4c5c(c(=O)oc4c3C2)CCCCC5)cc1 55393857 OFKQJVZQSQYZAL-UHFFFAOYSA-N 375.468 4.722 0 40 GJAB biogenic COc1ccc(NC(=S)Nc2cccc(CN3CCCC3)c2)cc1Cl 71761814 BCTHZHCOAKQGQZ-UHFFFAOYSA-N 375.925 4.753 0 40 GJAB CC[C@H](NC(=O)NCCc1coc(-c2ccc(C)cc2)n1)c1ccc(OC)cc1 72083959 DFHXIBKBQMCAFS-NRFANRHFSA-N 393.487 4.652 0 40 GJAB CC(=O)N1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215656 YULFZKVVLFLXMS-LJQANCHMSA-N 387.524 4.839 0 40 GJAB Cc1csc(C2(NC(=O)Nc3nnc(C4CCCCC4)s3)CCC2)n1 72288937 FWHJMAMZLPWZAW-UHFFFAOYSA-N 377.539 4.552 0 40 GJAB O=C(c1cccnc1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349127 JIPXVMIGTDOWHG-IBGZPJMESA-N 391.902 4.741 0 40 GJAB C[C@@H](CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 72398582 DZGPRMSLAPSDCD-RRPUWOKSSA-N 393.575 4.801 0 40 GJAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)o2)n1 79480844 DJCKAPUEXQMLRJ-UHFFFAOYSA-N 378.457 4.712 0 40 GJAB Cc1nc2cc(F)cc(C(=O)Nc3cccc(OCC(F)(F)F)c3)c2nc1C 84057263 IBHIQJOBZZVIJC-UHFFFAOYSA-N 393.340 4.579 0 40 GJAB CN(Cc1ccccc1NCc1nnc(-c2ccccc2)n1C)C1CCCCC1 89741455 ZCYAUIBVKIEOBK-UHFFFAOYSA-N 389.547 4.859 0 40 GJAB O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)c1cccc2ccccc12 90504284 YHEMQOBBWATTDD-UHFFFAOYSA-N 397.478 4.595 0 40 GJAB CCOc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 102571404 QVCNIWILIMHOHS-HTAPYJJXSA-N 386.455 4.742 0 40 GJAB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102703607 IZLCXQURFXKYCG-SZNDQCEHSA-N 392.409 4.930 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1C 141623225 CVIGJCRAGCWXSN-BZRIBIQUSA-N 388.511 4.936 0 40 GJAB C[C@@H]1CCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)[C@@H]2CCCC[C@@H]12 195529263 ZMHKAXHAYPOCNU-LSTHTHJFSA-N 396.556 4.719 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 222974855 ZPTVBZUUBCMCMQ-FCHUYYIVSA-N 390.556 4.953 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 222990154 UIUKWLCIGRAUEZ-FQEVSTJZSA-N 382.504 4.628 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c(C)c1 224081399 VKEYGUPMMNAWPO-OAHLLOKOSA-N 399.541 4.853 0 40 GJAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)c1 224297143 OUALYNWRBXWHJJ-VXKWHMMOSA-N 390.556 4.831 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NC1CCCCC1 225274648 ALIZNFGYTXCXCX-GOSISDBHSA-N 399.362 4.960 0 40 GJAB CCCSc1nnc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)s1 260741096 FPBADLLAYPZQRT-AWEZNQCLSA-N 390.578 4.524 0 40 GJAB CCOc1cc(COc2ccccc2C(=O)O)ccc1OCc1ccccc1 408539437 HQIFBRHNMBXCNM-UHFFFAOYSA-N 378.424 4.942 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1C 408672613 VPGDVDZZHNVAOQ-NRFANRHFSA-N 385.463 4.929 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccccc2C)cc1 408700030 YPWDQTLCBDGJQG-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cn1ccc(-c2nc(CN3CC[C@@H](c4ccccc4Cl)C3(C)C)cs2)n1 1654638557 YDPHCHDOZHLLGL-INIZCTEOSA-N 386.952 4.965 0 40 GJAB O=C(NCC1(c2ccsc2)CCOCC1)c1ccc(-c2ccsc2)cc1 1888962733 YXMVTDDYDLBFPR-UHFFFAOYSA-N 383.538 4.955 0 40 GJAB Cc1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 918277 CIRGYUYKIAGXHD-UHFFFAOYSA-N 386.333 4.569 0 40 GJAB Cc1ccc(-c2csc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1 1018851 JCDGSOJIDDMZLV-UHFFFAOYSA-N 398.509 4.621 0 40 GJAB CCOC(=O)C(C(=O)OCC)[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl 1730566 IYJRDJOCHMYCKN-KRWDZBQOSA-N 395.282 4.868 0 40 GJAB COc1ccccc1Oc1c(C)oc2cc(OC(=O)C(C)(C)C)ccc2c1=O 2415747 PAEHFDAJXXMNFY-UHFFFAOYSA-N 382.412 4.854 0 40 GJAB biogenic Brc1ccccc1-c1nnc(COc2cccc3cccnc23)o1 2627562 AUCWAYFFPSWXJZ-UHFFFAOYSA-N 382.217 4.626 0 40 GJAB CCOC(=O)c1c(C)oc2ccc(OC(=O)c3cc(F)c(F)c(F)c3F)cc12 3219019 YEUIKJSJNYGXCK-UHFFFAOYSA-N 396.292 4.694 0 40 GJAB O=C(COC(=O)CCC1CCCCC1)Nc1ncc(C(F)(F)F)cc1Cl 3275045 WRZGDCIDUQTVOP-UHFFFAOYSA-N 392.805 4.596 0 40 GJAB O=C(CCCSc1ncnc2c1cnn2-c1ccccc1)c1ccc(F)cc1 3429944 YZBREUNQNJJNFM-UHFFFAOYSA-N 392.459 4.710 0 40 GJAB CCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3ccc(C)cc23)c1 3953627 CTHIDXSOZFHCOG-UHFFFAOYSA-N 378.428 4.640 0 40 GJAB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 4622557 MBRHDXOBDUDXAR-UHFFFAOYSA-N 382.451 4.735 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccccc1F 4675821 LXFAZXIBUIMJCD-QFIPXVFZSA-N 390.458 4.895 0 40 GJAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccc(F)cc1 4699653 ZQIMSFLMAGHNGI-UHFFFAOYSA-N 376.431 4.587 0 40 GJAB C[C@@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)Nc1cccc2ccccc12 4767421 KBANFLRGQFLAQE-LLVKDONJSA-N 389.238 4.726 0 40 GJAB COc1ccc(Cl)cc1C(=O)N(Cc1nc(-c2cccc(C)c2)no1)C(C)C 4958785 ABYXKGBQBLVBCB-UHFFFAOYSA-N 399.878 4.758 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 5099353 HXEJIYWJXDESOX-UHFFFAOYSA-N 390.439 4.524 0 40 GJAB CC(C)(C)c1ccc(OCCSc2nc3ccccc3n2CCC(=O)O)cc1 5125919 WVOSHCAUYMTUKH-UHFFFAOYSA-N 398.528 4.980 0 40 GJAB CCOc1ccc(-c2cn3c(CC(=O)Nc4ccccc4F)csc3n2)cc1 5146984 PHEMRXLMBJGELU-UHFFFAOYSA-N 395.459 4.782 0 40 GJAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCc1ccccc1Cl 5147362 DENVDSZPGWDFOL-UHFFFAOYSA-N 399.878 4.714 0 40 GJAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc2ccccc2c1 5152770 LUCZWDIFPNDKDR-QHCPKHFHSA-N 382.463 4.967 0 40 GJAB CCCn1c([C@@H]2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21 5235938 OPKXUBBFFSMCNQ-CQSZACIVSA-N 383.879 4.629 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(Cl)cc1C(F)(F)F 5375306 QTLKPSXKUORKNO-OAHLLOKOSA-N 387.741 4.657 0 40 GJAB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1ccccn1 5741172 FVOMQEODGRXRSH-UHFFFAOYSA-N 398.491 4.936 0 40 GJAB Cc1nnc2c(Nc3ccc(F)cc3)nc3ccc(C(=O)c4ccccc4)cc3n12 6792596 YKPBIGWTQZEJTA-UHFFFAOYSA-N 397.413 4.700 0 40 GJAB COc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 6994823 OATCJHNUSQZCJD-UHFFFAOYSA-N 380.878 4.551 0 40 GJAB Cc1noc(C)c1CC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 7717402 YTKLJRCGLNZGPW-UHFFFAOYSA-N 377.469 4.673 0 40 GJAB CC(=O)Nc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 7884737 BCKFRBCMQFSGSK-OAQYLSRUSA-N 375.403 4.555 0 40 GJAB Cc1nnc(SCc2nc(-c3ccccc3Cl)no2)n1Cc1ccccc1 8133090 MZRLRAXILHEPAG-UHFFFAOYSA-N 397.891 4.631 0 40 GJAB Cc1nc2cc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)ccc2o1 8328662 PGRUHYYRVIVVBA-UHFFFAOYSA-N 377.425 4.702 0 40 GJAB Cc1nc(-c2cccc(NC(=O)CCc3nc(-c4ccsc4)no3)c2)cs1 9643270 KLTFQVRWCXAIJI-UHFFFAOYSA-N 396.497 4.801 0 40 GJAB Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 10363224 JDDOYIXBORGYAH-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCc1nc2sc(C(=O)Nc3ccc(F)cc3F)c(N)c2c2c1CCCC2 10383740 WQWSITDGZPDJFG-UHFFFAOYSA-N 387.455 4.850 0 40 GJAB Cc1cc(OCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)ccc1Cl 11072350 LADJGULSTZGCEA-UHFFFAOYSA-N 380.875 4.824 0 40 GJAB Cc1nc2c(C)cccc2cc1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 12197166 NGXYNZUCYQIZLS-UHFFFAOYSA-N 387.483 4.730 0 40 GJAB CCOc1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OCC 12561796 WBOQCTANNZOWGY-LBPRGKRZSA-N 387.505 4.572 0 40 GJAB COC(=O)Nc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccccc1 13552765 YYKPKVLLQFFKFF-UHFFFAOYSA-N 387.848 4.894 0 40 GJAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cccc(Cl)c1Cl 14796895 COMPCPFEQZTFTJ-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB CC(CNC(=O)c1cncc(Br)c1)(c1ccccc1)c1ccccc1 16176689 NQOIJVIZFGGWGV-UHFFFAOYSA-N 395.300 4.580 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)CCCSc1ccccc1)c1ccc(Cl)cc1 16262020 KDANPRFTTFRKER-FQEVSTJZSA-N 399.947 4.852 0 40 GJAB C(=C\c1nc2ccccc2nc1CCN1CCCCC1)\c1ccc2c(c1)OCO2 17146725 XYCLCYCLXNYJOP-NTMALXAHSA-N 387.483 4.557 0 40 GJAB Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccc(F)cc2)CC2CCCCC2)on1 19120612 ZRTNVPACWCKGOC-NFBKMPQASA-N 386.511 4.762 0 40 GJAB COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19559058 YRRXIZYWQQMGGR-SFHVURJKSA-N 396.878 4.501 0 40 GJAB Cc1ccc(-c2csc3ncc(C(=O)Nc4c(C)cccc4C)c(=O)n23)cc1 20768043 LMYZUELHWOQPAM-UHFFFAOYSA-N 389.480 4.601 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)c1 20899938 BOOIIUCLJSNDHK-UHFFFAOYSA-N 385.423 4.730 0 40 GJAB Cc1cc(NC(=O)c2ccc3c(c2)CCCC3)n(-c2nc3ccccc3s2)n1 21684336 WTDITBPORVNFNA-UHFFFAOYSA-N 388.496 4.922 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c1 22246065 DLYUSDNUNAOZMO-UHFFFAOYSA-N 384.436 4.545 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1Cc1nc2ccccc2o1 26458118 DJYDSTOUUKQGGK-MRXNPFEDSA-N 390.270 4.738 0 40 GJAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1ccc(O)cc1)CC(=O)N2 32072002 CKTWOGYFPRDYJE-INIZCTEOSA-N 396.443 4.628 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)c1sc2nc(C)nc(C)c2c1C 32754694 BWTXCSBTWCVVMF-UHFFFAOYSA-N 379.938 4.994 0 40 GJAB C[C@@H](NC(=O)N(Cc1ccco1)Cc1cccs1)c1ccc2c(c1)OCCO2 32863095 RHZCNUBXMOTRBK-OAHLLOKOSA-N 398.484 4.585 0 40 GJAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)C(C)C 32975850 MWQDHRROEYNJMN-IBGZPJMESA-N 393.512 4.512 0 40 GJAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Br)cc2)cc1 44949665 FHTAQFQELPXCJD-SFHVURJKSA-N 376.294 4.975 0 40 GJAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)NCc1ccoc1 47842375 JOFGYNFUAZKGSY-ZIAGYGMSSA-N 389.883 4.658 0 40 GJAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1cc(F)ccc1Cl 51356071 ZBEMJDKPSIBJGN-UHFFFAOYSA-N 376.598 4.581 0 40 GJAB Cc1ccc(Cl)cc1N1CCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 57452421 MAGRQHVNOPGXOH-AWEZNQCLSA-N 388.924 4.643 0 40 GJAB CCN(Cc1ccccc1)[C@H](c1cccs1)c1nnnn1C1CCCCC1 57613827 QLPCICJMQRAXDA-HXUWFJFHSA-N 381.549 4.851 0 40 GJAB O=C(/C=C/c1c(F)cccc1F)Nc1ccc(Cl)cc1C(=O)N1CCCC1 65608402 GROITFWWSCKFAM-VQHVLOKHSA-N 390.817 4.506 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 70932314 ZXJNKNXTBPLGPC-UHFFFAOYSA-N 395.261 4.623 0 40 GJAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3ccc(C)o3)N1CC2 72342214 SFDNJAHXLUUHEA-XZOQPEGZSA-N 376.456 4.677 0 40 GJAB O=C1N=C(Nc2cccc(Cl)c2)/C(=C/c2cc3ccccc3[nH]c2=O)S1 72401122 GCYNSYUETPDLPE-SXGWCWSVSA-N 381.844 4.900 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)c2c(C)noc2-c2ccccc2)cc1OCC 96011667 JSGLBIJRAOCXIP-HNNXBMFYSA-N 394.471 4.938 0 40 GJAB O=C1C[C@@H](Nc2ccc3ccccc3c2)C(=O)N1c1cc(Cl)cc(Cl)c1 100998103 VIZWAUFDYCKNNC-GOSISDBHSA-N 385.250 4.891 0 40 GJAB OC1=C2C(=Nc3nonc3N[C@@H]2c2cccc(F)c2)C[C@@H](c2cccs2)C1 102739438 HFJDMGIHTIYPSS-PIGZYNQJSA-N 382.420 4.899 0 40 GJAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCS[C@H](c2ccccc2)CC1 206988084 OXHUAGHMENTEGC-SFHVURJKSA-N 379.447 4.955 0 40 GJAB CC(C)Cc1ccc2c(N)c(C(=O)Nc3ccc(C(F)(F)F)cn3)sc2n1 215709456 PUIQUMAVDDQQFB-UHFFFAOYSA-N 394.422 4.743 0 40 GJAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223061330 QQFWGGCZBRHGNG-HSZRJFAPSA-N 394.559 4.589 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223659106 INMBLVOXWQGSBR-NRFANRHFSA-N 383.532 4.954 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1C1CCCC1 225021867 CXGPATVMHPDODX-VXKWHMMOSA-N 388.540 4.787 0 40 GJAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225688749 BYKHCSXHBFITSH-XXBNENTESA-N 390.568 4.577 0 40 GJAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccccc1)CN(C(=O)CC1CCCC1)CCO2 257339692 ZCUHAAGQXLDJGU-XWGVYQGASA-N 385.548 4.598 0 40 GJAB COc1cccc(C(=S)NCc2ccco2)c1OCc1ccccc1Cl 408571549 BQVGCKCWIXPUBB-UHFFFAOYSA-N 387.888 4.986 0 40 GJAB O=C(c1ccc(Br)cc1OC(F)(F)F)C(F)(F)Br 575362611 JMPDCNGPVGLMAR-UHFFFAOYSA-N 397.919 4.518 0 40 GJAB Cc1nc(SCC(=O)N2CCCC[C@@H]2C)c2c3c(sc2n1)C[C@@H](C)CC3 1326237 ZPZCQNOOBFSHDI-STQMWFEESA-N 389.590 4.618 0 40 GJAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccccc1 1426311 HGWMJIRPGPPWJK-DEOSSOPVSA-N 397.478 4.521 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1CCc1ccccc1 2201376 RMXDZJCLMBQERZ-JOCHJYFZSA-N 399.421 4.720 0 40 GJAB COc1cc(C(=O)O)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21 2582968 BXXUGEMNFPXBTD-UHFFFAOYSA-N 389.407 4.754 0 40 GJAB COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@H](C)Oc1ccccc1 2768271 WWLCGVLJCKWIDM-HNNXBMFYSA-N 395.480 4.916 0 40 GJAB O=C(N[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1)c1ccco1 3103677 IZMNABGUQYPPIC-SFHVURJKSA-N 389.238 4.637 0 40 GJAB Cc1cc(C(=O)COC(=O)c2ccc3ncsc3c2)c(C)n1CCC(C)C 3416698 QPDCMUUORYILOA-UHFFFAOYSA-N 384.501 4.800 0 40 GJAB CCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 3427498 WSBSTVMYEOHRER-UHFFFAOYSA-N 380.513 4.590 0 40 GJAB Cc1cc2nnc(S[C@H](C)C(=O)NCCC3=CCCCC3)n2c2ccccc12 3444928 LFJMXQPIUICDNX-MRXNPFEDSA-N 394.544 4.678 0 40 GJAB CC(=O)Oc1c(-c2ccccc2)[nH]c2cc3c(cc12)C(=O)C(c1ccccc1)=[N+]3[O-] 3844606 BCMHKMFHHCVZGH-UHFFFAOYSA-N 396.402 4.588 0 40 GJAB COc1ccc(Cl)c2sc(NC(=O)c3nc4ccccc4s3)nc12 5256584 HTRUZCKZTGKWHF-UHFFFAOYSA-N 375.862 4.820 0 40 GJAB Cc1ccccc1-c1nnc2n1N=C(c1ccc(Cl)c(Cl)c1)CS2 5533286 VTFBWYMOGFAZAO-UHFFFAOYSA-N 375.284 4.918 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3ccccc3)cc2)cc1 5611004 XAZRRGIKOHMZDK-KRWDZBQOSA-N 387.435 4.740 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccc2ccccc2n1 5627312 XHORKNUQNLHKDM-UHFFFAOYSA-N 388.496 4.768 0 40 GJAB CCc1ccccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 5976808 OUWMTIOSXZZKCP-UHFFFAOYSA-N 375.424 4.837 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCc3c(C)noc3C)c2n1 6832186 XQRCPOVSYRBTNC-UHFFFAOYSA-N 395.242 4.577 0 40 GJAB COc1cccc(CSc2nc(-c3ccccc3Br)n[nH]2)c1 7252087 AERRGTRMNNFVLW-UHFFFAOYSA-N 376.279 4.535 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2C)cc1OC 7610083 QEMAHWQPLUNGHS-UHFFFAOYSA-N 378.266 4.726 0 40 GJAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882027 QJMLIKQLWBHWAN-CYBMUJFWSA-N 377.271 4.547 0 40 GJAB O=C(Nc1cccc(Br)c1)c1ccc(NC(=O)c2ccco2)cc1 7914262 ZVVZCPHTBFCFKI-UHFFFAOYSA-N 385.217 4.547 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(Cl)cc1F 7922277 XGDMXSXVKRHIHR-LLVKDONJSA-N 377.872 4.720 0 40 GJAB CC(C)[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCCCO2 7986036 VHWYILLEKWLXLG-IBGZPJMESA-N 393.405 4.994 0 40 GJAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@@H](c2ccc(C)cc2)C4)cc1 9698376 ZKSFBMXODUAUHI-IBGZPJMESA-N 397.478 4.934 0 40 GJAB COc1ccc2c(CC(=O)Nc3ccccc3-c3ccccc3)cc(=O)oc2c1 9705176 DRXLKLBVRICPFH-UHFFFAOYSA-N 385.419 4.650 0 40 GJAB Cc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)o1 9723884 ARAWKEGJMWIRSB-UHFFFAOYSA-N 388.471 4.853 0 40 GJAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1nc2ccc(F)cc2s1 11807639 CLEUPRFTKUNNOV-UHFFFAOYSA-N 385.395 4.801 0 40 GJAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1cccc(Cl)c1 12178535 WMUHUFCUZOQQGG-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB CC(=O)c1ccccc1OCCN1CCc2sccc2[C@H]1c1ccccc1 12913574 KWMYAWRLUJWTSM-HSZRJFAPSA-N 377.509 4.977 0 40 GJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc2ccccc2oc1=O 12972399 MUAXTGCHTRTSMC-LLVKDONJSA-N 376.239 4.933 0 40 GJAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc(Cl)cc(Cl)c1 13134455 OVOIFXKKUCJITK-PKOBYXMFSA-N 375.299 4.750 0 40 GJAB Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)c1 13687230 KHSFYJZNIGIKLN-UHFFFAOYSA-N 386.451 4.893 0 40 GJAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)CCCC(C)C)cs2)cc1OC 13726724 KCCFMFIIPDWEMC-HNNXBMFYSA-N 390.549 4.701 0 40 GJAB CC[C@@H](Sc1nc(C)c(-c2ccc(O)cc2)[nH]1)C(=O)N[C@H](C)c1ccccc1 13945134 RTJZXYQOJIUBJC-AUUYWEPGSA-N 395.528 4.839 0 40 GJAB NC(=O)c1c(NC(=O)c2ccccc2-c2ccccc2)sc2c1CCCC2 14241032 CRDFFVJBTUOEAX-UHFFFAOYSA-N 376.481 4.645 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 14291386 BDLBOJCJQVPADZ-UHFFFAOYSA-N 375.424 4.695 0 40 GJAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)N1CCCC1 15609599 KIVYRSSJSJCHMG-UHFFFAOYSA-N 384.479 4.771 0 40 GJAB O=C(Cc1noc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCCC1 19203688 BDAPVJYZGQOIEW-UHFFFAOYSA-N 389.377 4.628 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1c(F)cccc1F 20294495 GGIWJZRGJVIGOL-UHFFFAOYSA-N 375.806 4.732 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 20610384 TUCJIRIQYNNRON-KGVSQERTSA-N 392.821 4.865 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 22530278 RAYBJMHOOFZCFA-UZLBHIALSA-N 393.483 4.892 0 40 GJAB CSc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1 28284426 OVUYCCRAAPMOSU-UHFFFAOYSA-N 380.307 4.805 0 40 GJAB C[S@](=O)Cc1cccc(C(=O)Nc2cccc(C3SCCCS3)c2)c1 28667099 MIWMCEVBSTZKBO-RUZDIDTESA-N 391.583 4.686 0 40 GJAB CN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 30997347 VYOXGQUWQAVHSP-VWLOTQADSA-N 384.523 4.724 0 40 GJAB CN(C(=O)/C=C/c1ccc(OCc2cccnc2)cc1)[C@@H]1CCc2ccccc21 32320930 GQUFKLVXILYMMK-USXRGHEGSA-N 384.479 4.820 0 40 GJAB CC(C)n1ncc2c(C(=O)N3c4ccccc4C[C@@H]3C)cc(-c3ccco3)nc21 32865561 HHWKTRBNYSXXLG-HNNXBMFYSA-N 386.455 4.864 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 32872073 QFNHBGJLMNVHIY-HNNXBMFYSA-N 397.906 4.780 0 40 GJAB COc1cccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)c1 35682941 MBTPOEGZSGQITQ-UHFFFAOYSA-N 390.468 4.565 0 40 GJAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2cccs2)CN1c1cccc2ccccc12 49757643 LSLCSXBTCOGEEP-XLIONFOSSA-N 390.508 4.618 0 40 GJAB O=C(N(Cc1ccco1)c1ccc(F)cc1F)N1CCC[C@@H]1c1ccncc1 56675604 LAYLWGJSIARBBP-LJQANCHMSA-N 383.398 4.917 0 40 GJAB Cc1nc(-c2cccs2)ccc1C(=O)N[C@H]1CCCOc2ccc(F)cc21 65834636 PDUVZHZGKILMJZ-KRWDZBQOSA-N 382.460 4.901 0 40 GJAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3ccc(C)o3)N1CC2 72342215 SFDNJAHXLUUHEA-GOTSBHOMSA-N 376.456 4.677 0 40 GJAB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](c4ccccc4)C3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 100394313 BTIQDACSUXCHFU-IVGKVIEXSA-N 386.278 4.923 0 40 GJAB CC(C)NC(=O)[C@@]12CC[C@](C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C 100641879 OXCXQTMZFZLXBR-WOJBJXKFSA-N 392.330 4.790 0 40 GJAB O=C(c1cc(-c2ccco2)on1)N1CCS[C@@H](c2ccccc2Cl)CC1 211145906 MEHAWOMJMSDMRE-GOSISDBHSA-N 388.876 4.908 0 40 GJAB O=C(O)/C(=C/c1ccc(Br)s1)Sc1nc2ccccc2o1 211508365 CAHAJLVVTHTGQD-XFFZJAGNSA-N 382.260 4.870 0 40 GJAB COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc(Cl)c1OC 211510170 SYFFRGVWXUJZMU-DHDCSXOGSA-N 391.832 4.716 0 40 GJAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccs2)no1 219390724 LOZQGDQPYBHYCZ-CYBMUJFWSA-N 393.921 4.639 0 40 GJAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 222945092 GXNGDWZFZYQVPQ-UHFFFAOYSA-N 378.255 4.840 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 223004973 BGSTUFARMDNZMQ-QHCPKHFHSA-N 396.531 4.573 0 40 GJAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223294743 RKGMHAALCXHUOR-ZHRRBRCNSA-N 379.500 4.535 0 40 GJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NC(C(C)C)C(C)C)c1 224869573 WLUIWNPMGWDRKG-UYRXBGFRSA-N 384.545 4.624 0 40 GJAB FC(F)(F)c1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1 225231304 RKHADYPWIXJJLC-UHFFFAOYSA-N 399.507 4.718 0 40 GJAB Cc1cccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257292235 QKPKXCMVWHHDPN-LJQANCHMSA-N 381.863 4.600 0 40 GJAB COCc1cc(C)nc2sc(C(=O)Nc3ccc4ccccc4c3)c(N)c12 409373245 GCWKYLHSCSTARF-UHFFFAOYSA-N 377.469 4.739 0 40 GJAB CCOC(=O)c1cc(NC(=O)N2[C@H]3CC[C@H]2CC2(C3)CC2(F)F)ccc1Cl 599724992 TXJMEVLROAUJPP-STQMWFEESA-N 398.837 4.701 0 40 GJAB CCCc1ccc([C@H](NC(=O)[C@H](O)c2cccc(OC)c2)c2cccs2)cc1 1540009453 GCNFWJHYJYALHZ-FCHUYYIVSA-N 395.524 4.648 0 40 GJAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCc2ccc(F)cc2)N1c1ccc(F)cc1 1615159953 QLIGAPGWQWSHTI-VXKWHMMOSA-N 398.497 4.946 0 40 GJAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cccc(I)c1 809025 VIIBDWLTJXASDC-UHFFFAOYSA-N 399.231 4.795 0 40 GJAB COc1ccc(C(=O)CSc2nnc3c(C)cc4cc(C)cc(C)c4n23)cc1 929732 AGKYLGWOHXVARQ-UHFFFAOYSA-N 391.496 4.791 0 40 GJAB CC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1cccc(C(F)(F)F)c1 1388083 MXIQLAIMHALPKF-UHFFFAOYSA-N 398.328 4.672 0 40 GJAB Cc1ccc(/C=C/C(=O)Nc2ccc(I)cc2C)cc1 1937471 CYTXHGWAQOGEHZ-JXMROGBWSA-N 377.225 4.560 0 40 GJAB CN(C)c1ccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 2402893 IRSZWYQCIKFUAJ-UHFFFAOYSA-N 384.435 4.778 0 40 GJAB CC[C@H](C)OC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2420221 IILRNKPJJWZMJG-HNNXBMFYSA-N 388.471 4.728 0 40 GJAB COc1cc(OC)cc([C@@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)c1 2556199 PVHVXVBAVHTRQZ-BJKOFHAPSA-N 390.435 4.606 0 40 GJAB Cc1cc(C)c(C)c(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C 4541327 MTSCNDGLXJCDSF-IBGZPJMESA-N 398.572 4.876 0 40 GJAB Nc1c(C(=O)C23CC4CC(CC(C4)C2)C3)sc2nc3c(cc12)N1CCC3CC1 4794700 UWWWMUNSQSGNCY-UHFFFAOYSA-N 393.556 4.975 0 40 GJAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1cccc(C)c1 5019843 KYUVMVMDZNGFEY-UHFFFAOYSA-N 391.467 4.601 0 40 GJAB COc1ccc(CCC(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1 5137076 BDQJULGAUTYTLR-UHFFFAOYSA-N 398.503 4.558 0 40 GJAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1C 6355932 UMXRCUDSYUGIAF-UMYHVIPVSA-N 398.304 4.863 0 40 GJAB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(C)C1=O 6440428 AUKPOHHQLDSSRH-DJKKODMXSA-N 383.513 4.829 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)C[C@@H](C)c3ccccc3)n2)c1 6558415 YZFDNJCEDDQIMM-CQSZACIVSA-N 382.485 4.960 0 40 GJAB COc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3Cl)[nH]c2c1 6618266 RHMGCWQBCZVLEV-UHFFFAOYSA-N 382.272 4.609 0 40 GJAB Fc1ccc(-c2noc(CSc3nnc(C4CC4)n3-c3ccccc3)n2)cc1 6821083 PTUZGSREMAKIDA-UHFFFAOYSA-N 393.447 4.626 0 40 GJAB COCCN(Cc1ccccc1)C(=O)c1ccccc1COc1ccccc1 6850056 JLDBCCSNJCIKCS-UHFFFAOYSA-N 375.468 4.554 0 40 GJAB CCc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)CC)cc2)CC1=O 7928790 FDLOOYTUASCYJX-SFHVURJKSA-N 379.500 4.895 0 40 GJAB CCn1c(C)cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1C 8038088 WFHRVNWCLOBRDQ-UHFFFAOYSA-N 380.517 4.558 0 40 GJAB O=C(CCc1nc2ccccc2o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8305961 IYYLTWBAXIVWGV-OAHLLOKOSA-N 391.496 4.776 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCc4ccccc43)cc12 8340238 XLTLMYONYADDIE-UHFFFAOYSA-N 391.471 4.797 0 40 GJAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1C 10313922 FUVTWYUNLKQLJA-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCOc1ccccc1NC(=O)c1sc(=S)n(-c2ccc(C)cc2)c1N 12415465 ZUEHSQHPLWFQJX-UHFFFAOYSA-N 385.514 4.810 0 40 GJAB Cc1ccc(-c2nc(=S)c3c(n2Cc2cccnc2)CC(C)(C)OC3)cc1 12515126 IJYQTPNSPYTZSI-UHFFFAOYSA-N 377.513 4.883 0 40 GJAB O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 12548561 RNVBPOKRXYFHMM-CCEZHUSRSA-N 393.468 4.743 0 40 GJAB CSc1ccc(Cl)c(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 12766008 CUXLBZIGFDQJHZ-UHFFFAOYSA-N 388.964 4.978 0 40 GJAB CCCc1nnc2sc(/C=C(\c3ccccc3)c3ccc(OC)cc3)nn12 13570072 QLPBYCOQYXHUSY-NBVRZTHBSA-N 376.485 4.736 0 40 GJAB COc1cc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2cc(C)cc(C)c2)ccc1O 13680807 GHOODVFEZWYJRW-KRWDZBQOSA-N 377.444 4.635 0 40 GJAB CCC[C@H](CC(=O)O)c1c2c(c(O)c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 14557640 JZWLSXINEVHWEP-JHJVBQTASA-N 388.460 4.535 0 40 GJAB biogenic,in-vitro Cc1cc(C)c2oc(C(=O)N(Cc3cccs3)c3ccccn3)cc(=O)c2c1 15669879 JZGAZDHUSHQHIT-UHFFFAOYSA-N 390.464 4.713 0 40 GJAB Cc1ccc(-c2nnc(C3CCN(Cc4cccc(F)c4F)CC3)o2)s1 19217855 VKWNKDSJMSEJNF-UHFFFAOYSA-N 375.444 4.764 0 40 GJAB COc1ccccc1-c1noc(C)c1C(=O)N(Cc1ccccn1)C1CCCC1 19579642 GEOQWMQGNPWLRG-UHFFFAOYSA-N 391.471 4.639 0 40 GJAB CC(C)c1nnc(SCc2ccccn2)c2c1cnn2-c1ccc(F)cc1 23137719 UKJKEUNPRYIIHT-UHFFFAOYSA-N 379.464 4.765 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)c1 24238697 FJYVOCNACABMCX-UHFFFAOYSA-N 380.517 4.738 0 40 GJAB Cc1ccc(C(=O)C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)c(C)c1 24454876 BYYHPKPTMBALMW-UHFFFAOYSA-N 388.467 4.694 0 40 GJAB COc1ccccc1[C@@H](C)NC(=O)CSCc1ccc(Br)cc1 24936940 GFOGRKABVNQUJN-CYBMUJFWSA-N 394.334 4.568 0 40 GJAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1OC 30856716 FVXBXASKWZLXRZ-LLVKDONJSA-N 396.306 4.586 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC 30856901 ZGZHKLLFYJPKLC-NSHDSACASA-N 385.407 4.842 0 40 GJAB O=C(CCSCc1csc(-c2ccco2)n1)NCc1ccccc1Cl 31421274 AFFVHFFEKBURMG-UHFFFAOYSA-N 392.933 4.996 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@@H](C)SCc1cc(Cl)c2c(c1)OCO2 32854195 AOFQBQVCWLHIPS-GFCCVEGCSA-N 393.892 4.646 0 40 GJAB O=C(c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12)N1CCCC1 36618411 ILOHETGRSQGNCP-UHFFFAOYSA-N 387.414 4.932 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@H]1CCCC[C@H]1C(F)(F)F 44874330 AKQKBHFLQDGQJS-NWDGAFQWSA-N 398.406 4.846 0 40 GJAB Cc1c(C(=O)N[C@H](c2ccccc2)c2ccccn2)oc2c1C(=O)CC(C)(C)C2 47247965 YTAFZXQMXJKUBU-OAQYLSRUSA-N 388.467 4.658 0 40 GJAB O[C@@H](CN1CCC(c2nc3ccccc3o2)CC1)c1ccccc1C(F)(F)F 60464229 LGBSDUTUGADZNR-SFHVURJKSA-N 390.405 4.760 0 40 GJAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)Cc3ccncc3)C2)n1 72356118 VHLOATWZEVZKPQ-DEOSSOPVSA-N 399.538 4.633 0 40 GJAB CCOc1c(Cl)cc(C(=O)N2CCSC[C@@H]2c2ccc(C)o2)cc1OC 78934822 MXPSQLDDDFKBLT-OAHLLOKOSA-N 395.908 4.579 0 40 GJAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N(C1CCC(C)CC1)C1CC1 79019555 BJSVTMHUMYVCLM-UHFFFAOYSA-N 383.536 4.806 0 40 GJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1c(F)cccc1Br 84339010 KIAVGFJNBFLNCU-CMDGGOBGSA-N 390.661 4.654 0 40 GJAB Cc1nc(-c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)cc2)n[nH]1 95961726 RSTWDNUXIAPMLR-UHFFFAOYSA-N 393.447 4.603 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219314161 ODXDUCHDDNAPSW-MOPGFXCFSA-N 383.488 4.580 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)cc1 222900461 FOBRACRMMLYPJA-WOJBJXKFSA-N 385.504 4.691 0 40 GJAB COC(=O)c1cc2cc(NC(=O)c3ccc(Br)cc3)ccc2s1 223087830 FHOXSXOEDDMONK-UHFFFAOYSA-N 390.258 4.703 0 40 GJAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223372461 BXMMCNJBNSKWGS-NHCUHLMSSA-N 376.529 4.637 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccccc1 223562342 BTVTWVWQWCZKQN-NRFANRHFSA-N 398.572 4.502 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCOc2ccc(Cl)cc2)c1 225110747 AHKOIUKMGMDUQU-MRXNPFEDSA-N 375.896 4.734 0 40 GJAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN(C)C)cc3)CCCC2)c1 225510025 RUZRQQVKOHTOCP-UHFFFAOYSA-N 380.532 4.776 0 40 GJAB O=C(Cc1cccc(Br)c1)NCCSc1ccc(Cl)cc1 225612639 NTPSQNDJECLJIK-UHFFFAOYSA-N 384.726 4.554 0 40 GJAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cc1C(=O)OCC 225851470 KGLNTPVSYWVTAP-UHFFFAOYSA-N 391.508 4.720 0 40 GJAB COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1cc2ccccc2o1 226287639 ZSWXNVAULXPYPA-UHFFFAOYSA-N 398.418 4.854 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccccc2)cc1C 408699497 UNZLEEZUOJYBPZ-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c1 637593 CHQURUJKEPAPBM-PGAZUGQPSA-N 393.486 4.874 0 40 GJAB Cc1ccc(-c2nn(-c3cc(Cl)ccc3N)c(=O)c3ccccc23)cc1C 712857 ZKKICPDAWIUWSY-UHFFFAOYSA-N 375.859 4.905 0 40 GJAB O=C(N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)Sc1ccccc1 826659 DHSJNJDPMPMLEM-HNNXBMFYSA-N 375.755 4.829 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)Cc1ccccc1Cl 1330086 VODZNJYDCZVAAY-UHFFFAOYSA-N 393.826 4.882 0 40 GJAB COc1ccc(OC)c(NC(=O)CSc2nc(C(C)C)nc3ccccc23)c1 1342922 QVBYYTDLVNLVTK-UHFFFAOYSA-N 397.500 4.501 0 40 GJAB COc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)Nc2cccc(C)c2)C3)cc1 1370553 FJJZIDAYYKUCTC-FGZHOGPDSA-N 393.531 4.711 0 40 GJAB CCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 1774617 AOPLIXSXHFRPKB-MRXNPFEDSA-N 396.439 4.923 0 40 GJAB Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 1786156 XLQMIYLCNLVSEV-UHFFFAOYSA-N 395.673 4.733 0 40 GJAB CCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1801440 VYYRCJDXFGNMIW-UHFFFAOYSA-N 382.243 4.578 0 40 GJAB Cc1cc2nnc(S[C@H](C)C(=O)Nc3ccccc3Cl)n2c2ccccc12 1924445 TZXZUUTXCZTSTF-CYBMUJFWSA-N 396.903 4.964 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 2647058 WHXSWMPTLVZWEW-UHFFFAOYSA-N 382.813 4.630 0 40 GJAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccncc3)sc3c2CCCC3)cc1 3100246 ICLFDOXLPRZBMX-UHFFFAOYSA-N 391.496 4.835 0 40 GJAB Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccccc2)cc1C 3339863 YFHXAQUJIHZRJV-UHFFFAOYSA-N 381.501 4.595 0 40 GJAB CCOc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1 4086460 ZRQXDZSZYQSHKI-UHFFFAOYSA-N 392.436 4.568 0 40 GJAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc2c(c1)CCCC2 4479518 FFMSADITWCJSQT-UHFFFAOYSA-N 398.260 4.630 0 40 GJAB CCCc1nc2sc3c(N4CCCC4)ncnc3c2c2c1COC(C)(C)C2 4785512 ASRBERTVXALCHJ-UHFFFAOYSA-N 382.533 4.644 0 40 GJAB CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 5478712 ZQYVZRNCQWKYAA-MRXNPFEDSA-N 395.551 4.767 0 40 GJAB CC(C)C(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 5561777 HRQYNXXZLDJEDS-ZWKOTPCHSA-N 395.894 4.672 0 40 GJAB COc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cccc(C)c3)sc2C)cc1 6217346 ZOPXDRCWDZPCTA-AWEZNQCLSA-N 382.485 4.842 0 40 GJAB CN(C(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21)c1ccccc1 6570691 JODIFBCJIMIUDQ-UHFFFAOYSA-N 398.462 4.566 0 40 GJAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccccc2Cl)cc1 6630418 SZWUUUWZROGDRW-UHFFFAOYSA-N 394.858 4.759 0 40 GJAB CSCC[C@H](NC(=O)CCCOc1cccc(C)c1)c1nc2ccccc2[nH]1 6651775 YWQQTAGJVBWOFT-FQEVSTJZSA-N 397.544 4.641 0 40 GJAB COc1ccc(CCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 7094313 FEPIYIBJBYKXDW-UHFFFAOYSA-N 384.328 4.594 0 40 GJAB Cc1ccc(NC(=O)[C@H](Oc2ccc(-c3nnco3)cc2)c2ccccc2)cc1 7441084 SMODRNBNESOYGE-OAQYLSRUSA-N 385.423 4.804 0 40 GJAB O=C(OCc1ccc(Br)cc1)c1cc(=O)c2cc(Cl)ccc2o1 7737769 HQGYXARGJQBDIZ-UHFFFAOYSA-N 393.620 4.566 0 40 GJAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(F)c(F)c1 8000748 BZILMIRFCGTPHI-LJQANCHMSA-N 390.480 4.674 0 40 GJAB CN(Cc1ccccc1N1CCCCC1)C(=O)/C=C/c1nc2ccccc2s1 8193911 YHJNLFKYKGMIDW-BUHFOSPRSA-N 391.540 4.958 0 40 GJAB Cc1ccc(-c2cc(NC(=O)CSc3ccc4c(c3)OCCCO4)on2)cc1 8363250 UPKYJSNFKSRGRV-UHFFFAOYSA-N 396.468 4.542 0 40 GJAB COc1ccc(C(=O)CN(C2=NCCCC2)c2cc(C)ccc2C)cc1OC 8410730 KLXMLAYWEYUWBE-UHFFFAOYSA-N 380.488 4.592 0 40 GJAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(F)cc2)c(C)c1 8476441 NCNYHTRAXDCNLS-UHFFFAOYSA-N 392.478 4.753 0 40 GJAB Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 9063120 VDXNAFLOYYNVBC-UHFFFAOYSA-N 376.422 4.865 0 40 GJAB CC[C@@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)c1ccc(OC)cc1 9793276 RLDMYCWVESQPHQ-KNQAVFIVSA-N 398.503 4.614 0 40 GJAB NC(=O)[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccccc1 10206064 GTXASLZKKPVBJX-CYBMUJFWSA-N 393.946 4.635 0 40 GJAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cnc2ccccc2c1C(F)(F)F 12761114 YAGUAOCIBIEMPN-UHFFFAOYSA-N 396.271 4.827 0 40 GJAB C/C=C/c1ccc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)c(OC)c1 14318203 QAUYXBKJHKIFAP-AATRIKPKSA-N 382.485 4.854 0 40 GJAB COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)/C2=C\Nc1ccccc1 18038469 LZEVBKVARAPFAQ-JCMHNJIXSA-N 398.462 4.952 0 40 GJAB COc1cccc(CN2C[C@@H](c3cc(C(F)F)[nH]n3)[C@H](c3ccccc3)C2)c1 19565507 HEONZPUYFNYBNV-RBUKOAKNSA-N 383.442 4.739 0 40 GJAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2)n1 19690732 YIZJLEHOZMFMGD-HSZRJFAPSA-N 392.524 4.724 0 40 GJAB CCOc1ccccc1-c1ccccc1NC(=O)c1cc(=O)n(C)c2ccccc12 19714354 TURCEOJKAQQYCA-UHFFFAOYSA-N 398.462 4.857 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(CCc1ccccc1F)CO2 20412328 BNDKWLOPMIZSKI-UHFFFAOYSA-N 393.458 4.514 0 40 GJAB ClC1(Cl)C[C@@H]1CSc1nc(-c2ccccc2Br)n[nH]1 21108320 MTESMMNUGTWUDJ-SSDOTTSWSA-N 379.110 4.520 0 40 GJAB COc1ccc(Cl)cc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 23229192 UDCPBULXFFGRMO-UHFFFAOYSA-N 387.863 4.662 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)CCCNC(=O)C(C)(C)C)ccc21 25454463 XLSQMBHTYHDIAS-UHFFFAOYSA-N 379.504 4.695 0 40 GJAB C[C@@H](c1nc2ccccc2s1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 26758892 HCPXQBCAVHACSL-ZDUSSCGKSA-N 392.450 4.593 0 40 GJAB COc1ccc(OC)c(CN(Cc2nc(-c3ccc(Cl)cc3)no2)C2CC2)c1 27604213 GCBIATXWAGVGJG-UHFFFAOYSA-N 399.878 4.572 0 40 GJAB Cc1cc(OCn2ccc(C(=O)N3c4ccccc4C[C@@H]3C)n2)cc(C)c1Cl 27972845 SPBKOYJDHVXDSX-INIZCTEOSA-N 395.890 4.781 0 40 GJAB Cc1ccccc1NC(=O)CSCC(=O)Nc1ccc(Cl)c(Cl)c1 28183399 FLUKCALSZBQYGG-UHFFFAOYSA-N 383.300 4.612 0 40 GJAB CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21 28235260 CGBANSGENFERAT-QFIPXVFZSA-N 397.453 4.732 0 40 GJAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1 32753906 FGDQAWMOGYJOFH-OXJNMPFZSA-N 379.456 4.824 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)CCSc2ccccc2F)c(OC)c1 32808852 PNICDDDFHSSIMX-SFHVURJKSA-N 389.492 4.689 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1 32836721 ZPAFMFLDKRKFFX-RPIAPYSOSA-N 391.471 4.903 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)n2)cc1 32843322 PVRCGTNMROAQFF-AEFFLSMTSA-N 383.517 4.945 0 40 GJAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2Cl)c1 40009660 ZJEAZGWKFSUYRL-KRWDZBQOSA-N 380.271 4.988 0 40 GJAB CC(C)(CNC(=O)c1sccc1-c1ccccc1)c1ccc2c(c1)OCO2 59013261 SXTGDKYQHZKPGG-UHFFFAOYSA-N 379.481 4.851 0 40 GJAB CN(C)[C@@H](CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1)c1ccco1 69348887 HTELROWGYBLYSZ-SFHVURJKSA-N 385.414 4.649 0 40 GJAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2C)n1 69417988 ZFOKKBLFERDAES-HOCLYGCPSA-N 378.925 4.934 0 40 GJAB CCN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 72284291 DRCAQZMUWHGFFK-UHFFFAOYSA-N 389.780 4.748 0 40 GJAB Fc1ccccc1-c1nccnc1[C@@H]1CCCN(CCOc2ccccc2)C1 72358886 NHEVWMZFJZYXJH-GOSISDBHSA-N 377.463 4.541 0 40 GJAB CC[C@H](C)Sc1ccc(NC(=O)NC[C@H](C)CC2(C)OCCO2)c(C)c1 75094218 RLIJYDRBTPGSJC-ZBFHGGJFSA-N 380.554 4.796 0 40 GJAB CCn1c([C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n[nH]c1=S 85400146 OYSGIXCHTBHJMR-ZDUSSCGKSA-N 387.336 4.785 0 40 GJAB C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)[C@H](O)c1c(F)cccc1Cl 89598478 ROALWYGWXDPPHW-WYRIXSBYSA-N 391.801 4.730 0 40 GJAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 89830403 PNGHXYHFUBZMIZ-DEOSSOPVSA-N 394.474 4.510 0 40 GJAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)CC(C)(C)C)CC2)c2ccccc21 96242368 PXUJIVBTTQGLJX-IBGZPJMESA-N 398.591 4.729 0 40 GJAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 96625611 GIGQLVKHBBCETA-UHFFFAOYSA-N 395.522 4.667 0 40 GJAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(Br)cc1 97992382 CHAFZALRVKQFTA-UKTHLTGXSA-N 387.302 4.782 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 98211334 WRZUQTNXFZGSMY-UHFFFAOYSA-N 392.846 4.806 0 40 GJAB COc1cccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1OC 169702380 ZDNWPEVWMMJZJR-JTYKBVBASA-N 379.456 4.699 0 40 GJAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 222846268 GLCPDGUGRBGFSH-WOJBJXKFSA-N 381.476 4.862 0 40 GJAB CC(C)(C)c1ccc(O[C@@H](Cc2ccc(Br)cc2)C(=O)O)cc1 225065673 AMSLDAQQQOYDQP-KRWDZBQOSA-N 377.278 4.821 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1OCC 225078111 AVEMQMANKYMHAA-KRWDZBQOSA-N 397.515 4.619 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)NC[C@@H](CC)Cc2ccccc2)c1 225632512 ZUTGRYBGRMQZNJ-KRWDZBQOSA-N 384.545 4.727 0 40 GJAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Sc1ccccc1 240762379 ATFGIJVOWBXXMS-OAHLLOKOSA-N 383.900 5.897 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 243097035 IZVSAKRVXQASRA-NSHDSACASA-N 397.689 4.947 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cccc(C)c2)cc1 408696277 ZDYCJOQVUDMHHF-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1Cl 409015281 ZGZXLOJFEYAJSO-IIMQCXAKSA-N 384.863 4.610 0 40 GJAB COCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 409132392 OITAZEPVMRGURL-GXDHUFHOSA-N 395.889 4.767 0 40 GJAB Cc1nnc(CN2CCCc3c(NC(=O)Nc4ccccc4F)cccc32)s1 560938709 BCEBKNXAFIIKRF-UHFFFAOYSA-N 397.479 4.582 0 40 GJAB CO[C@@H](C(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1)[C@@H]1CCOC1 614252626 SMQQYSBAEIODOI-FZKQIMNGSA-N 380.271 4.650 0 40 GJAB COc1ccc(-c2csc(/C=C/c3ccnn3C3CCOCC3)n2)cc1OC 685939112 SQXMTICFQWEVDJ-GQCTYLIASA-N 397.500 4.546 0 40 GJAB CC(C)(C)c1noc(-c2ccccc2C(=O)N2CCc3cc(F)c(F)cc3C2)n1 1536868939 HIGZBHKHAHRVJT-UHFFFAOYSA-N 397.425 4.511 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)o2)c1 856423 KEMAGOKFCBCRQD-UHFFFAOYSA-N 375.453 4.929 0 40 GJAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccccc1 858842 LKUORIFXKANIFZ-UHFFFAOYSA-N 381.453 4.853 0 40 GJAB Cc1nc(SCC(=O)N2CCCC[C@@H]2C)c2c3c(sc2n1)C[C@H](C)CC3 1326238 ZPZCQNOOBFSHDI-OLZOCXBDSA-N 389.590 4.618 0 40 GJAB CCS(=O)(=O)c1ccc(-c2csc(-c3ccccn3)n2)c(Cl)c1Cl 1393788 FPJWSDLRFZKSBC-UHFFFAOYSA-N 399.324 4.973 0 40 GJAB Cc1cccc(N2C(=O)c3cc(C)nc(SCc4ccccc4F)c3C2=O)c1 1405784 QZYCMKXRUKIATD-UHFFFAOYSA-N 392.455 4.930 0 40 GJAB COc1ccccc1-c1coc2cc(OCC(=O)c3ccccc3)ccc2c1=O 1464047 FPOGNOSOKIRWDD-UHFFFAOYSA-N 386.403 4.730 0 40 GJAB biogenic COc1cccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)c1 2232755 NBHPFBVZQZRIPD-UHFFFAOYSA-N 377.256 4.835 0 40 GJAB CCOC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 2537662 CUXNDQFGQMBBKY-GDBMZVCRSA-N 381.398 4.844 0 40 GJAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl 3265802 LKXBYAAIBIBMQU-QPJJXVBHSA-N 384.646 4.842 0 40 GJAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N(C)C)c3ccccc3n2)o1 3365830 ADFLIUMYGJCWIP-HSZRJFAPSA-N 399.494 4.836 0 40 GJAB COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)ccc1O 4047279 ZPRXFOYSQXJVFF-OYDLWJJNSA-N 381.516 4.578 0 40 GJAB biogenic Cc1cccc(NC(=O)CN2C(=O)C[C@H](c3ccco3)Sc3ccccc32)c1 4162789 JOMYWSFISDZWFM-HXUWFJFHSA-N 392.480 4.797 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](CC)C2 4558258 QHLUXNKRIAJECY-LBPRGKRZSA-N 375.465 4.831 0 40 GJAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 4627689 VTADXJRQKMHKAZ-USXIJHARSA-N 396.556 4.740 0 40 GJAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2F)o1 5047102 QKMKZAMFWPLFGP-AWEZNQCLSA-N 381.473 4.723 0 40 GJAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C1 5126520 XZVJWQOWGPKPOJ-JKSUJKDBSA-N 388.464 4.643 0 40 GJAB aggregator O=C(c1c(F)cccc1F)N(Cc1ccccn1)c1nc2ccccc2s1 5203530 QVCFHUOEIMONOQ-UHFFFAOYSA-N 381.407 4.817 0 40 GJAB Cc1cc(NC(=O)c2cccs2)ccc1N1C(=O)c2cccc(Cl)c2C1=O 5793088 DLSHBDQGBAKULN-UHFFFAOYSA-N 396.855 4.763 0 40 GJAB COc1ccccc1C(=O)NC(=S)Nc1ccc(Oc2ccccc2)cc1 6298288 FDEWBYSPJSVXQI-UHFFFAOYSA-N 378.453 4.614 0 40 GJAB CC(C)c1ccc(NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)cc1 6754555 TYDAOMBMBVEGQB-UHFFFAOYSA-N 389.480 4.799 0 40 GJAB Cc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)n1 6968578 TUMLHLMLEQONLD-OVCLIPMQSA-N 379.268 4.933 0 40 GJAB C[C@@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)NC(C)(C)C 7837241 WVXDRXJDNHKAAM-LLVKDONJSA-N 389.521 4.893 0 40 GJAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882028 QJMLIKQLWBHWAN-ZDUSSCGKSA-N 377.271 4.547 0 40 GJAB CCc1ccc([C@@H](NS(=O)(=O)c2cccc(C(C)=O)c2)c2cccs2)cc1 8058000 AENRSHOJFFURFD-OAQYLSRUSA-N 399.537 4.581 0 40 GJAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2nc3ccccc3s2)o1 8128102 TZVDNVRJWYJFLA-UHFFFAOYSA-N 392.436 4.557 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)Nc3cccc(C)c3)s2)cc1 8771466 NCOSEJCENLECJR-UHFFFAOYSA-N 380.473 4.965 0 40 GJAB Fc1ccc(N2CCn3c(SCc4cccc(C(F)(F)F)c4)nnc32)cc1 9574096 IRBHPULAYRBBOV-UHFFFAOYSA-N 394.397 4.880 0 40 GJAB Cc1ccccc1[C@H](C)NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10133633 MUTFTTRQFHUCGA-INIZCTEOSA-N 386.499 4.618 0 40 GJAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1Cl 10386146 VIEDAQPHYCXCCP-UHFFFAOYSA-N 379.851 4.838 0 40 GJAB CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)c(Cl)c1)O[C@H](C)C2 11232043 VXUFOGKPUQDYOP-LLVKDONJSA-N 396.270 4.733 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)CS4)n2)c(C)c1 11356953 NISXTHVAQHBZSO-UHFFFAOYSA-N 395.509 4.723 0 40 GJAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1)c1cccs1 12262089 GSWLEEBYBWPRAF-MRXNPFEDSA-N 399.541 4.694 0 40 GJAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(F)cc3Cl)s2)cs1 12396716 ZVWSKHXJEVGLIR-UHFFFAOYSA-N 380.897 4.945 0 40 GJAB CCCN(CC1CC1)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 12543266 QMZWFEVZHRBOLP-UHFFFAOYSA-N 379.533 4.545 0 40 GJAB C[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1Cl 12601620 AQEYBIXATSHDNW-CYBMUJFWSA-N 396.903 4.691 0 40 GJAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cccc(Cl)c1 12972483 UDINDBFNTUUKNA-UHFFFAOYSA-N 380.879 4.886 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2sc(-c3cccs3)nc2C)cc1F 13000812 NXTSWXPKYLNXND-JTQLQIEISA-N 376.478 4.819 0 40 GJAB CCc1ccc(OCC(=O)Nc2c(C)cccc2CC)c(Br)c1 14001261 IKSUXRQGCRAUFK-UHFFFAOYSA-N 376.294 4.900 0 40 GJAB NC(=O)Nc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 14343707 LABKARJZWKCUMK-UHFFFAOYSA-N 389.499 4.897 0 40 GJAB COc1ccc(CN(C(=O)c2csc(-c3ccc(OC)cc3)n2)C2CC2)cc1 15819950 SSDBUNKTOVRPCQ-UHFFFAOYSA-N 394.496 4.632 0 40 GJAB COC(=O)c1c(NC(=S)N2c3ccc(F)cc3CC[C@H]2C)sc(C)c1C 17080203 GBNHXZQXKNIOEO-SNVBAGLBSA-N 392.521 4.829 0 40 GJAB O=C(O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1Cl 20138471 UUIHINPPTMIHPO-UHFFFAOYSA-N 389.032 4.706 0 40 GJAB CCCOc1cccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 20411757 JAMSYXUCKSSHPA-UHFFFAOYSA-N 398.484 4.903 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 20487306 UCKSIIGGFDTRRT-SBUREZEXSA-N 393.483 4.590 0 40 GJAB Cc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(F)cc2)c1 28527949 OFQVRMYWQJMWMP-UHFFFAOYSA-N 393.466 4.691 0 40 GJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1c(C)cccc1C 31903352 JBVHFXPEFXCXSG-NRFANRHFSA-N 391.515 4.806 0 40 GJAB COc1cc(OC)cc(C(=O)Oc2ccc3c(-c4ccc(F)cc4)noc3c2)c1 32072224 LFNQRDVANHATBG-UHFFFAOYSA-N 393.370 4.870 0 40 GJAB Cc1cc(Br)cnc1NC(=O)c1ccc(-c2ccccc2F)o1 32647233 MVSRMCAZAZAYQA-UHFFFAOYSA-N 375.197 4.804 0 40 GJAB O=C(N[C@@H](C[C@@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 36734722 ZXIGFMHJUXKYEJ-GMAHTHKFSA-N 395.522 4.623 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44852967 HKPRYKSSUQBNGC-FQEVSTJZSA-N 380.532 4.568 0 40 GJAB COCCOc1ccccc1NC(=O)c1cnc(-c2ccccc2Cl)s1 50344408 CUPADBFUZUIWRA-UHFFFAOYSA-N 388.876 4.741 0 40 GJAB CCC(CC)N(C(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C)c(C)c1 58145622 BYEUXGOTKHTESD-UHFFFAOYSA-N 387.545 4.683 0 40 GJAB Cc1nccn1CCCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 58392383 ADMJRIGTJKRSCR-UHFFFAOYSA-N 380.517 4.613 0 40 GJAB Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)/C=C/c1ccc(F)cc1 60331093 MMCUFCDIOCPSBL-KVDXNUTJSA-N 375.447 4.908 0 40 GJAB FC(F)(Br)[C@@](F)(Br)[C@](F)(Cl)C(F)(F)Cl 64370158 FCMYQABQAFPAEV-JCYAYHJZSA-N 392.746 4.771 0 40 GJAB Cc1ccc(OCc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333569 MBEYMZNFIJLINI-UHFFFAOYSA-N 380.517 4.541 0 40 GJAB COc1ccc(NC(C)=O)cc1NC(=O)CCc1cn(C(C)C)c2ccccc12 72403648 YCACXSFIHFJALT-UHFFFAOYSA-N 393.487 4.761 0 40 GJAB COc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1OC(F)F 78705998 AGLZSRGKHFSRDI-INIZCTEOSA-N 381.806 4.831 0 40 GJAB CC(C)(C)c1nc(CC(=O)N(Cc2cccs2)CC(F)(F)F)cs1 78967748 DNLOCGHNXUAXHX-UHFFFAOYSA-N 376.469 4.636 0 40 GJAB Cc1cccc(OC[C@@H](O)Cn2c(Cc3ccccc3C)nc3ccccc32)c1 82086474 HGNUBXDSPNKWGV-NRFANRHFSA-N 386.495 4.684 0 40 GJAB C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 95423951 RDVNNIJXAPFBKT-KOSHJBKYSA-N 391.486 4.976 0 40 GJAB CCS[C@H]1CCCC[C@@H]1NCc1nnc(-c2cccc(Br)c2)o1 97165591 VUTCRULRLWUIAP-GJZGRUSLSA-N 396.354 4.653 0 40 GJAB CN1C(=O)[C@H](Cc2ccc(C(F)(F)F)cc2)c2cc(Br)ccc21 101014533 PQDAFBBAXLXCLY-CQSZACIVSA-N 384.195 4.771 0 40 GJAB CC(=O)Nc1ccc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)cc1 101503886 HQNLCZAOVCSTOS-UHFFFAOYSA-N 390.468 4.535 0 40 GJAB CCOc1cc(C(=O)Nc2ccccc2C)cc(Br)c1OCC 107959245 ICDVOQBJGVLCLX-UHFFFAOYSA-N 378.266 4.807 0 40 GJAB COc1ccc2ccccc2c1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222586725 WCFJTWVQURELEN-LVXYXVKQSA-N 375.497 4.833 0 40 GJAB CC(C)CSc1nnc(NC(=O)[C@H](C)Oc2cccc3ccccc23)s1 222913601 BLRSUVDJYZCMBK-ZDUSSCGKSA-N 387.530 4.845 0 40 GJAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)c1 223027288 ADLJEVRYBPYWFG-GOSISDBHSA-N 375.852 4.621 0 40 GJAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224422290 BRRBKMJMOVRWJJ-WOJBJXKFSA-N 380.492 4.780 0 40 GJAB Cc1cccc([C@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)c1 225681121 SJPVVOCOCDTQGW-XMMPIXPASA-N 384.479 4.641 0 40 GJAB C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@@H](c1cccc(O)c1)C[C@@]2(C)NC(=O)c1ccccc1 257298486 RLWYEZGGISHFOI-IJRRNWFESA-N 379.500 4.847 0 40 GJAB COc1ccc(CSCC(=O)NC(c2ccccc2)c2ccccc2)cc1 408576471 VTFWVGGYJFVFOO-UHFFFAOYSA-N 377.509 4.834 0 40 GJAB CCOc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408576891 YOXJOQRVYHZGRE-FYWRMAATSA-N 392.480 4.872 0 40 GJAB COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)NCc2cccnc2)c1 541450440 PDZFQKNOLOVVLM-DHIUTWEWSA-N 387.483 4.531 0 40 GJAB CC(C)c1c(NC(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)cnn1-c1ccccc1 585101408 IFQIGXCCDPMVOT-NQIIRXRSSA-N 396.535 4.809 0 40 GJAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(F)c(F)cc4F)OCC[C@@]31C2 2037849805 MHKJFLGAQARNNK-WNSHSASISA-N 381.438 4.513 0 40 GJAB O[C@H](CN1CCCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 626506 DUPVGFMKXACAET-MRXNPFEDSA-N 377.315 4.948 0 40 GJAB COc1ccc(OC)c(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)c1 633149 YUUJAYGZEWMISP-UHFFFAOYSA-N 399.450 4.809 0 40 GJAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)c1ccc(F)cc1 908118 ZKKKQBFIMPMDAI-UHFFFAOYSA-N 391.373 4.918 0 40 GJAB Cc1nc2ccccc2nc1SCc1nc2ccccn2c1Br 940860 NVTGKQFSVKJTBK-UHFFFAOYSA-N 385.290 4.641 0 40 GJAB CC[C@H](C)OC(=O)COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 957128 XQTPLBGNXAGBOT-INIZCTEOSA-N 396.439 4.923 0 40 GJAB COc1ccc(C(=O)[C@H](C)Oc2cccc(NC(=O)c3ccccc3)c2)cc1 992987 BERFVGIJAKLHIG-INIZCTEOSA-N 375.424 4.598 0 40 GJAB CC(=O)Oc1cc2c(cc1Br)[C@H]1CC[C@@]3(C)C(=O)CC[C@H]3[C@@H]1CC2 1425515 IGZVPNAJLMAGND-VOMKJEOTSA-N 391.305 4.800 0 40 GJAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 2200738 UVJMHXXDFJQGGM-UHFFFAOYSA-N 378.284 4.764 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccc1 2449584 GWEYESGHPNGPSQ-UHFFFAOYSA-N 380.517 4.819 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccccc1F 2638455 RLPYONMXFPGNGQ-UHFFFAOYSA-N 393.443 4.701 0 40 GJAB CCOC(=O)NC(=O)N(c1ccc(C)cc1)P(=O)(OC(C)C)OC(C)C 3087511 QRCHYDQRCNQYKT-UHFFFAOYSA-N 386.385 4.626 0 40 GJAB Cc1cc(C)nc(-n2nc(C)c3c(C(F)(F)F)cc(-c4cccs4)nc32)n1 3197637 MTKNCZACLICWNQ-UHFFFAOYSA-N 389.406 4.883 0 40 GJAB O=C(c1cc2ccccc2o1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 3339499 KPBQESUELFOSEZ-OAHLLOKOSA-N 378.453 4.868 0 40 GJAB Cn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1C(F)(F)F 3408182 IZLJQPCXHLTLFY-UHFFFAOYSA-N 390.843 4.903 0 40 GJAB Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3C=CC(Cl)=CN32)cc1 3616166 SRINXSKQAWZNME-UHFFFAOYSA-N 393.718 4.927 0 40 GJAB CCC[C@@H](C)c1ccc(OCCCCCN2CCN(C(=O)OCC)CC2)cc1 4692029 PMAADNDAJIXMNH-HXUWFJFHSA-N 390.568 4.913 0 40 GJAB CSc1ccccc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12 5886119 BIZONTZRLHRBME-UHFFFAOYSA-N 394.525 4.644 0 40 GJAB O=C(CCOc1cccc(Br)c1)N[C@H]1CCSc2ccccc21 6086240 XAWHFCYCVKFMOA-INIZCTEOSA-N 392.318 4.571 0 40 GJAB O=C1CS[C@@H](c2ccc(Cl)cc2)c2c(O)nn(C3CCCCC3)c2N1 6225212 KGXPZBOHYFGYOM-INIZCTEOSA-N 377.897 4.522 0 40 GJAB CCn1c(SCc2ccccc2Cl)nnc1-c1cc(OC)cc(OC)c1 6451439 KBVWUHMKNNYVNK-UHFFFAOYSA-N 389.908 4.928 0 40 GJAB CCCc1nc2ccccc2c(C(=O)Oc2ccc(C(=O)OC)cc2)c1CC 7007335 NKQSHKDLTXQVEU-UHFFFAOYSA-N 377.440 4.756 0 40 GJAB CCCCCCOc1ccc(/C=C(\C(=O)OC)c2cc(O)[nH]c(=S)n2)cc1 7738603 AJQZAKZLPBNGRX-VBKFSLOCSA-N 388.489 4.517 0 40 GJAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)/C=C/c1cc(Br)ccc1F 7778039 DPAWOUKDORJSQC-LJJSCBMDSA-N 394.206 4.791 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccccc2Cl)c1 8092227 FEVSXFGMEIYVFR-UHFFFAOYSA-N 384.284 4.652 0 40 GJAB COc1ccc(CN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C2CC2)cc1 8165307 URVCZSKJADJGAT-UHFFFAOYSA-N 396.487 4.847 0 40 GJAB CC(=O)Nc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccs3)C2)c1 8774934 BKVGLJJFJNXBLT-KRWDZBQOSA-N 395.509 4.760 0 40 GJAB Cc1c(C)n(CC(C)C)c2ncn3nc(-c4cc5ccccc5cc4O)nc3c12 9306521 RARVVGGJDZWART-UHFFFAOYSA-N 385.471 4.878 0 40 GJAB Clc1ccc(-c2cc(-c3ccc(Br)cc3)n3ncnc3n2)cc1 9434762 HWISQZDJBDDFIB-UHFFFAOYSA-N 385.652 4.874 0 40 GJAB C[C@H](SCc1ccc2c(c1)OCO2)C(=O)N1CCC(Cc2ccccc2)CC1 9449167 LBLFFIZSJINICM-KRWDZBQOSA-N 397.540 4.518 0 40 GJAB Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 9938789 SPDSCQWTPVBEGM-AWEZNQCLSA-N 377.444 4.842 0 40 GJAB CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10215673 SKGUYWZGWINNMG-XXBNENTESA-N 390.439 4.929 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@@H](C)c1ccc(Cl)cc1 12897957 JCBHHHXWOHJVHW-HNNXBMFYSA-N 396.922 4.762 0 40 GJAB Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2)c1 13647397 DWSMQSZPKNPWKL-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB CCOc1c(Cl)cc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1OC 15976890 UEINAVNLJBWNOB-UHFFFAOYSA-N 387.785 4.696 0 40 GJAB CCC(=O)N1N=C(c2ccc(C(C)C)cc2)Sc2c1nc(C)n2C(=O)CC 16777118 ZWFXEYZRHJYDTM-UHFFFAOYSA-N 384.505 4.576 0 40 GJAB O=C(CSCc1ccccc1Cl)Nc1nnc(-c2ccccc2)s1 18088749 PQIARGKWTZABRP-UHFFFAOYSA-N 375.906 4.730 0 40 GJAB CCn1nc(C(C)C)cc1C(=O)Nc1nc(-c2ccc(OC)c(F)c2)cs1 19524138 LYSHAIWYYZNIEE-UHFFFAOYSA-N 388.468 4.550 0 40 GJAB COc1ccccc1CNc1ncc(-c2cccs2)c(-c2nccs2)n1 19570883 GFEFGOSWGXKNHB-UHFFFAOYSA-N 380.498 4.949 0 40 GJAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1OCC 20047515 BOEUDYMVYPHSMT-FQEVSTJZSA-N 385.504 4.575 0 40 GJAB CCCc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2s1 22255198 MTDFYTNDYDHPJF-UHFFFAOYSA-N 396.921 4.712 0 40 GJAB CC1CCN([C@H](c2ccccc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851750 QLXYYFOZLXUJSU-QGZVFWFLSA-N 394.500 4.578 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(-c2ccc(F)cc2)o1 32424932 GBYLCLAWSBOETI-KRWDZBQOSA-N 384.476 4.714 0 40 GJAB O=C(OC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 32922279 RLEGRJQRXDGTEX-AWEZNQCLSA-N 392.282 4.703 0 40 GJAB C[C@H]1S/C(=C/c2nc3ccccc3s2)N(CC(=O)c2ccc(F)cc2)C1=O 33861591 JXWOLQQYHGDJPT-AINDZBIGSA-N 398.484 4.581 0 40 GJAB Cc1nn(C)c(C)c1NC(=O)c1cc2occc2n1Cc1ccc(Cl)cc1 36352551 XWWGKCNYXMSITG-UHFFFAOYSA-N 382.851 4.539 0 40 GJAB O=C([C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2)N1CCCCC1 36357363 WUUXUUWHXOYAHD-QFIPXVFZSA-N 388.511 4.756 0 40 GJAB Clc1ccc2c(N3CCN(Cc4cccc5cccnc45)CC3)ccnc2c1 40040179 KNYCGPQQAHXRPM-UHFFFAOYSA-N 388.902 4.759 0 40 GJAB COc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1Cl 40114361 APSYMWBUBJJGEK-UHFFFAOYSA-N 391.905 4.745 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 42201007 CFWNRAYDYXJGGM-UHFFFAOYSA-N 397.500 4.910 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 45701769 GETINDRVECREAQ-UHFFFAOYSA-N 379.272 4.655 0 40 GJAB O=C(OCc1cc(F)cc2c1OCOC2)c1c[nH]cc1-c1ccc(Cl)s1 62514510 KUFNGDDUWFTMRA-UHFFFAOYSA-N 393.823 4.759 0 40 GJAB CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1C 63181234 LPZXSBJSRIGWTQ-UHFFFAOYSA-N 382.485 4.688 0 40 GJAB CNc1ncccc1CN1CCC[C@@H](c2cccc(-c3ccc(OC)cc3)n2)C1 72350259 RLAMCRBCSZSYID-LJQANCHMSA-N 388.515 4.574 0 40 GJAB O=C([C@@H]1C[C@@H]1c1ccc(Br)cc1)N(Cc1ccsc1)C1CC1 84393391 IPQSPOLDTAEONN-IAGOWNOFSA-N 376.319 4.805 0 40 GJAB C[C@@H](NCc1ccccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 89552987 CBXQXFFFROYLAP-QGZVFWFLSA-N 378.447 4.522 0 40 GJAB O=C1OCC[C@H]1Sc1ccc(C(=O)N2CCCC3(CCCCCC3)C2)cc1 89781036 CKJJDJXLPWWHQN-LJQANCHMSA-N 387.545 4.671 0 40 GJAB O=S(=O)(Cc1ccccc1Cl)N(CCc1cccs1)Cc1ccoc1 90612402 GMOWZEYBTOTLFT-UHFFFAOYSA-N 395.933 4.569 0 40 GJAB Cc1nnc(-c2ccccc2NC(=O)COc2ccc(Cl)c3ccccc23)o1 95350714 KUZAPKIEFDRRAB-UHFFFAOYSA-N 393.830 4.869 0 40 GJAB CC1=C[C@H](C)[C@@]2(COC(=O)CN3CCCCC3)CO[C@H](c3ccccc3)[C@H]1[C@@H]2C 103580447 HNJMMPWWHNRBHV-MQXBQSNKSA-N 397.559 4.622 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 103718512 GVKXQJCNNQSABE-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 222854259 GECGBBGPOTVJBY-QGZVFWFLSA-N 389.923 4.954 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 223007341 HUSRDFIMCPTDMY-SFHVURJKSA-N 375.852 4.621 0 40 GJAB CC(C)(C)c1ccc(OCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 223367646 VYHJQQRUFGPKAS-UHFFFAOYSA-N 396.314 4.865 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 223599135 ZALRYIAQFACDEE-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB Cc1nc(NC(=S)N[C@@H](C)c2ccccc2)c(Cl)cc1Br 223954822 KQSXEPPOFMMITI-VIFPVBQESA-N 384.730 4.854 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224132499 JMAQIEKIZOWDEY-HNNXBMFYSA-N 375.896 4.600 0 40 GJAB COc1ccccc1OC[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1 225339688 XRLIFNNSAOHADN-CYBMUJFWSA-N 382.287 4.518 0 40 GJAB C[C@H]1Cc2ccccc2N1CCCNC(=O)CCc1c(Cl)cccc1Cl 225362163 QMXXHBKDIXACOL-HNNXBMFYSA-N 391.342 4.884 0 40 GJAB CCC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)c(OC)c2)C1 257213103 CGELSTJHAXBAHZ-TUNNFDKTSA-N 389.442 4.851 0 40 GJAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c1 408923237 UUVMWPYTYHCZBC-UHFFFAOYSA-N 397.525 4.605 0 40 GJAB O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccccc1Cl 409331970 FIQDDWZBCMHBST-LICLKQGHSA-N 397.839 4.683 0 40 GJAB Oc1nnc(-c2nc(C3(c4ccc(F)cc4)CCCCC3)no2)c2ccccc12 551061536 XUHHOVVVLLRLPD-UHFFFAOYSA-N 390.418 4.775 0 40 GJAB CN(C)[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1cc2ccccc2o1 575620501 KOTRALLYRNQLKB-INIZCTEOSA-N 391.393 4.876 0 40 GJAB O=C(Nc1nc(-c2ccccc2)no1)N[C@H](c1ccccc1F)C1CCCC1 1203033066 XJLWJUOTPNKUKC-SFHVURJKSA-N 380.423 4.929 0 40 GJAB CC(C)(C)[C@H]1CCc2sc(C(=O)NCc3cnn(CC4CCC4)c3)cc2C1 1585397801 SHQVUIOTRQWZNK-SFHVURJKSA-N 385.577 4.826 0 40 GJAB COc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 682202 CAWNGUOMOKAJSA-UHFFFAOYSA-N 395.842 4.597 0 40 GJAB O=C(CSc1nc2ccccc2cc1Cc1ccccc1)NC1CCCC1 1339872 LOECARYNBFSXPB-UHFFFAOYSA-N 376.525 4.977 0 40 GJAB COc1ccc(N2C(C(C)=O)=NN(c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 2137693 PFQVEGZITIEIRH-DEOSSOPVSA-N 385.467 4.932 0 40 GJAB Clc1ccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)cc1 2234206 KSLIXIYMLFMXEJ-UHFFFAOYSA-N 391.681 4.936 0 40 GJAB CCCCn1c(N)c(C(=O)N[C@@H](C)CCCC(C)C)c2nc3ccccc3nc21 2390492 BTVPRBAHMJYXOH-INIZCTEOSA-N 395.551 4.911 0 40 GJAB Cc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3ccc(F)cc3c2=O)cc1 2689911 BSDLGKHBDPVRLF-UHFFFAOYSA-N 389.401 4.867 0 40 GJAB O=C1C[C@@H](c2csc([C@@H]3CC(=O)OC34CCCCC4)n2)C2(CCCCC2)O1 4025411 ZLYUWLDLNQGNQB-GJZGRUSLSA-N 389.517 4.610 0 40 GJAB biogenic COc1ccc(CN(CC[C@]2(C(C)C)CCOC(C)(C)C2)C(C)=O)cc1OC 4046463 YLLVUYCHRPRTOE-QHCPKHFHSA-N 391.552 4.674 0 40 GJAB biogenic Cc1nnc2ccc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nn12 5168877 JEWNLOLLMZZRKP-UHFFFAOYSA-N 398.253 4.659 0 40 GJAB CCc1ccc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)C(C)=C2C(=O)OC)cc1 6356153 BYVKEPLZPNZHDB-BOPFTXTBSA-N 399.849 4.919 0 40 GJAB COc1ccc(NC(=O)c2c(O)nnc(-c3ccccc3)c2-c2ccccc2)cc1 7995017 VKOKIECXDLALOY-UHFFFAOYSA-N 397.434 4.777 0 40 GJAB C[C@H](O)c1ccc(-c2ccc(CNn3c(-c4ccccc4)n[nH]c3=S)o2)cc1 8534142 CJEMIJRLURZIDU-AWEZNQCLSA-N 392.484 4.665 0 40 GJAB Cc1cc(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc12 8656685 OFKKXKXKIMLDDG-UHFFFAOYSA-N 378.284 4.976 0 40 GJAB COc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1 8704497 BRPDLJWJGZSLRH-UHFFFAOYSA-N 392.789 4.853 0 40 GJAB O=C(COc1ccc2oc3ccccc3c2c1)NCCCc1nc2ccccc2[nH]1 11485984 VUZLDZTYTBXWRM-UHFFFAOYSA-N 399.450 4.590 0 40 GJAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)cc1Cl 12559806 QVMICRZWIIUGCG-OAHLLOKOSA-N 387.911 4.778 0 40 GJAB CCc1ccc2c(c1)c(C)c(C(=O)N1CCN(c3cccc(Cl)c3)CC1)n2C 12652576 LJKNOAXHOHBRQD-UHFFFAOYSA-N 395.934 4.665 0 40 GJAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(C)ccc2OC)cc1 12736705 AVLBFNVMRXMMPB-NRFANRHFSA-N 382.504 4.568 0 40 GJAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3ccccc3)C(C)C)c12 12737814 HYRIMKAXGVJSEW-UHFFFAOYSA-N 388.471 4.588 0 40 GJAB O=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1C[C@@H]1CCCO1 13637368 XOZKTYMQJXBPRT-NRFANRHFSA-N 382.463 4.910 0 40 GJAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(C2CCCC2)C4)cc1 13729846 QUULNIBXSVIRJW-UHFFFAOYSA-N 377.440 4.563 0 40 GJAB biogenic CCc1nnc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)s1 14200074 FBCXXWCEBNEFHJ-UHFFFAOYSA-N 396.497 4.786 0 40 GJAB O=C(N[C@H](N1CCCCCC1)C(Cl)(Cl)Cl)c1ccccc1Cl 19315353 YVVIJIRSJXEXBB-CQSZACIVSA-N 384.134 4.642 0 40 GJAB COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)o3)sc2c1 20412378 BBTNYDGLRWFLOL-UHFFFAOYSA-N 378.409 4.595 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(OC(C)C)cc1 20460114 UTMATPZLZNHNDA-QFIPXVFZSA-N 383.532 4.997 0 40 GJAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc2ccccc2s1 21973328 PCQZESMFRPIYFC-UHFFFAOYSA-N 396.497 4.841 0 40 GJAB COc1ccc(NC(=O)c2cccc(OCc3cccc(C)c3)c2)c(OC)c1 25316256 WTKRMILRTZURGD-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB COc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 27583996 HSQDGKGEAJCAFN-FQEVSTJZSA-N 386.923 4.696 0 40 GJAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)C12CC3CC(CC(C3)C1)C2 27664527 ZKJFXKZZKHHPFM-DSQUVOCVSA-N 386.967 4.810 0 40 GJAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nnc(C4CCCCC4)s3)c12 29090232 DJHYVWBJYMVDOQ-UHFFFAOYSA-N 398.536 4.552 0 40 GJAB CCOc1ccccc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 32900605 KKGDLWCXIVHWGO-UHFFFAOYSA-N 375.428 4.982 0 40 GJAB COCCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nc2cc(Cl)ccc21 40057329 QSHCKBZNRYWMSP-LLVKDONJSA-N 394.928 4.870 0 40 GJAB Cc1cccc(N2CCN(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)CC2)c1 40103230 HVYQDOCOIBUOCN-UHFFFAOYSA-N 395.837 4.604 0 40 GJAB CCc1ncc(CN2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)cn1 72350247 XRHLSGNBKNKUIV-SFHVURJKSA-N 376.479 4.620 0 40 GJAB O=C(Cc1ccccn1)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396370 CEZMTUWHJFNTBC-LJQANCHMSA-N 396.494 4.574 0 40 GJAB CCCOc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1OCCC 72414173 GIORZXPETQLGDY-UHFFFAOYSA-N 377.506 4.682 0 40 GJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cc2ccncc2)cc1 98064848 BRAGCJVOQQVNAL-SDNWHVSQSA-N 384.888 4.738 0 40 GJAB Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(Cl)cc1 100425750 WKXQXTNZXKIBOU-NHCUHLMSSA-N 382.935 4.964 0 40 GJAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(c1nc3ccc(OC(F)(F)F)cc3s1)C2=O 100870554 FIKPYXNULANZGC-BMLIUANNSA-N 398.406 4.511 0 40 GJAB COc1cccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1OC 169682506 DRMWSOVOERZZOW-IEZHZQBZSA-N 379.456 4.699 0 40 GJAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C 222974477 BOCJFYZKRGPYIM-VXKWHMMOSA-N 390.556 4.953 0 40 GJAB CCC1(CC)C[C@H](NC(=O)/C=C/c2ccc(OC)c(OC)c2)c2ccccc2O1 223445310 YVRJSYUGZYZQRI-XUDAUXSOSA-N 395.499 4.916 0 40 GJAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C 224161610 ZTJNAFSVRMTLJZ-NHCUHLMSSA-N 376.529 4.697 0 40 GJAB COc1ccc(CC(=O)NCCSCc2c(Cl)cccc2Cl)cc1C 225178361 PRMYKOJKAWMPPN-UHFFFAOYSA-N 398.355 4.903 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 225479482 DYWXUQUNAHOXOH-OFNKIYASSA-N 394.559 4.568 0 40 GJAB Fc1ccc(CCCNC(=S)Nc2ccc(Br)cc2F)cc1 225547730 NZLCHWOLTNSNFZ-UHFFFAOYSA-N 385.277 4.647 0 40 GJAB CC(C)Oc1cccc(CCCNC(=O)Cc2cccc(Br)c2)c1 225620544 ULORXQFRRLBICQ-UHFFFAOYSA-N 390.321 4.528 0 40 GJAB O=C(c1cc2cc(F)ccc2s1)N1CC[C@@H](Oc2cccc3cccnc23)C1 245015179 LPDSRUXFHZXNSQ-QGZVFWFLSA-N 392.455 4.882 0 40 GJAB O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](N2CCc3ccccc3C2)C1 408610700 ROEIWOOYQMQPFS-GOSISDBHSA-N 389.326 4.656 0 40 GJAB Cc1cccc(C)c1N1C[C@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 408659318 KSIRPBPSZBHZNJ-HXUWFJFHSA-N 385.463 4.929 0 40 GJAB COc1ccc(/C=C(/C(=O)NCCSCc2ccco2)c2ccccc2)cc1 408921054 RINGWJANFBPIOI-CJLVFECKSA-N 393.508 4.878 0 40 GJAB O=C(O)CN(CC1CCCCC1)C(=O)OCC1c2ccccc2-c2ccccc21 1542984396 VSSOWPIVIKACBD-UHFFFAOYSA-N 393.483 4.902 0 40 GJAB C[C@@H](NCc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1)c1ccsc1 1559786423 COGFVMRWCGMVOA-LLVKDONJSA-N 385.489 4.703 0 40 GJAB CCCCCCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21 2248524 ZNSALJASXWORBA-UHFFFAOYSA-N 387.487 4.999 0 40 GJAB O=C(c1cccc(CN2CCCCC2)c1)c1ccc(Br)c(F)c1 2515017 DCXXYAUPBMAGGI-UHFFFAOYSA-N 376.269 4.805 0 40 GJAB COC(=O)c1cc(CSc2nnc(Nc3cccc(C)c3C)s2)oc1C 2637319 FKZVQNQAYMVLLH-UHFFFAOYSA-N 389.502 4.879 0 40 GJAB COc1cccc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1 2972380 PIWKSFKESJCAQN-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)c1ccc(Br)cc1 3363079 VKGBLZHTMGGFFA-SECBINFHSA-N 395.303 4.924 0 40 GJAB CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1cccs1 4309123 KILYLLPRKNFBHA-UHFFFAOYSA-N 386.546 4.755 0 40 GJAB CSc1cccc(NC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)c1 4360839 DPWIATBQJFNSQJ-UHFFFAOYSA-N 393.464 4.577 0 40 GJAB CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccco1 4501670 TZVSFXGAZASKLA-UHFFFAOYSA-N 387.852 4.554 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 4816612 VHHFHYVYKYGQFC-RBUKOAKNSA-N 398.869 4.794 0 40 GJAB O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1ccc2ccccc2n1 5079568 DGUZOAQMOLLUJF-UHFFFAOYSA-N 388.467 4.758 0 40 GJAB CCN(CC)CCN(C(=O)c1cccs1)c1nc2ccc(Cl)cc2s1 5121887 KEIQEBVHKGIRRX-UHFFFAOYSA-N 393.965 5.000 0 40 GJAB CCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc2c1=O 5213621 DQUXWDSWTHLDFJ-UHFFFAOYSA-N 379.510 4.832 0 40 GJAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccco2)c(C)c1 5451760 GLHAWEICHONYBU-HSZRJFAPSA-N 388.467 4.634 0 40 GJAB CCOc1cc(C(=O)Nc2ccc(F)c(Cl)c2)cc(OCC)c1OCC 5592977 FCLFCUWLBVOMGI-UHFFFAOYSA-N 381.831 4.928 0 40 GJAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCC2)cc1C 6215532 UIPTWHFQWBWPLP-ZHZULCJRSA-N 382.529 4.585 0 40 GJAB CCc1ccc(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1 6650001 SRAFVIRYUPKPEX-UHFFFAOYSA-N 387.479 4.953 0 40 GJAB CCn1c(SCc2csc(Nc3ccc(OC)cc3)n2)nnc1C1CC1 6993430 DVWXXEDLCZZDNL-UHFFFAOYSA-N 387.534 4.676 0 40 GJAB CCc1ccc(-c2noc(CSc3nnc(-c4ccccc4F)n3C)n2)cc1 7087598 XUQIDJBRAFAHHG-UHFFFAOYSA-N 395.463 4.526 0 40 GJAB CCN(CC)C(=S)SCc1csc(N(C(C)=O)c2ccccc2)n1 7737182 KZGCDJKSYBFCGZ-UHFFFAOYSA-N 379.576 4.688 0 40 GJAB CCN(CC)Cc1nc(NCc2ccccc2OC)c2c(C)c(C)sc2n1 7779715 CSCCVTYQUDJVFR-UHFFFAOYSA-N 384.549 4.771 0 40 GJAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 7882084 KQRNTOVSAPQQME-TZMCWYRMSA-N 377.271 4.542 0 40 GJAB O=c1[nH]c(CN2CCCc3ccccc32)nc2scc(-c3ccc(F)cc3)c12 7900839 PUHHBQWOJVBFAE-UHFFFAOYSA-N 391.471 4.744 0 40 GJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 8273630 LQUNKMJRZIYMTC-UHFFFAOYSA-N 377.488 4.667 0 40 GJAB COc1ccc(CCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 8346788 YTUTWZQLBJJVBS-UHFFFAOYSA-N 391.467 4.811 0 40 GJAB C[C@@H](Sc1nccn1-c1ccc(Cl)cc1)c1nc2ccccc2c(=O)[nH]1 8725194 AZHTVDOVKVJZET-GFCCVEGCSA-N 382.876 4.616 0 40 GJAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc3c(c2)OCO3)cc1 8775397 DWUAGWPZRAISLR-UHFFFAOYSA-N 397.478 4.866 0 40 GJAB Cc1ccc2cc3c(NC(=O)COc4ccccc4)nn(CC(C)C)c3nc2c1 9329328 BXNVKAUOKLNIBN-UHFFFAOYSA-N 388.471 4.566 0 40 GJAB C[C@@H](C(=O)NCCc1ccccc1)n1c(COc2ccccc2)nc2ccccc21 9366018 GNXYOWLDIXUEOX-IBGZPJMESA-N 399.494 4.535 0 40 GJAB Cc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1C 10360616 ZFHANJLBRXYBBN-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB Cc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3c(C)noc3n2)s1 10642143 DWBNYFATYPPEOB-UHFFFAOYSA-N 375.453 4.771 0 40 GJAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)NCCC1=CCCCC1 12700316 AFGJMMTWWIVEOL-INIZCTEOSA-N 396.560 4.632 0 40 GJAB Cc1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)c(Br)c1 12737780 BJBKDRMLJRDHOM-MRXNPFEDSA-N 390.277 4.568 0 40 GJAB COc1ccc(OC)c(C(=O)Oc2ccc3cc(Br)ccc3c2)c1 12774283 MLZAGFOAYRIXDV-UHFFFAOYSA-N 387.229 4.839 0 40 GJAB COc1ccc(C(=O)Nc2nnc(COc3ccc(C(C)(C)C)cc3)s2)cc1 13569276 BOZMEFGUECAFCA-UHFFFAOYSA-N 397.500 4.676 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2cc3ccccc3c(=O)o2)cc1 13692683 XDPTZYSOKZXADA-UHFFFAOYSA-N 398.418 4.671 0 40 GJAB COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1Cl 14709814 NXDIGUNJGMNSNV-UHFFFAOYSA-N 399.853 4.805 0 40 GJAB O=C(CNC(=O)c1ccccc1)Nc1ccc(Oc2ccccc2Cl)cc1 16303297 YPIUODRRFSCLGV-UHFFFAOYSA-N 380.831 4.501 0 40 GJAB COc1ccc(CN[C@@H](Cc2cccs2)c2nc(C)c(C)s2)cc1OC 19559634 ZSGQJGXKWNBHBQ-KRWDZBQOSA-N 388.558 4.912 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1OCC 20106921 RYHQIINZEBRWKB-ZWKOTPCHSA-N 385.504 4.746 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1Cl 20492060 VJQGAZKQZCZSJQ-KSSFIOAISA-N 388.895 4.664 0 40 GJAB CCCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OCC)cc2)c1 21175560 CGDRQHQRZMUZDB-UHFFFAOYSA-N 381.432 4.567 0 40 GJAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 21346614 SQLFRRAYTMNMLL-QZTJIDSGSA-N 388.467 4.584 0 40 GJAB O=C(Nc1cccc(F)c1)c1cccnc1Nc1cccc(Br)c1 22072209 XNFKBEJUUFGHAB-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB CC(C)c1ccc(CN2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1 22804603 ZUKBRFAXCUODOC-IBGZPJMESA-N 390.531 4.739 0 40 GJAB Cc1nn(C)c2sc(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)cc12 23112375 LYGVVPYTNXXYBL-UHFFFAOYSA-N 395.459 4.914 0 40 GJAB C[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cc1F 25214013 FRLFZBYABOCVGR-VIFPVBQESA-N 376.737 4.817 0 40 GJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 28189082 QBYMZMSIBOHQBW-NSHDSACASA-N 393.921 4.591 0 40 GJAB Cc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1C 32116453 VFSDEYLZNGOWPA-UHFFFAOYSA-N 399.082 4.786 0 40 GJAB O=C(Nc1nc(CN2CCCC2)cs1)c1ccccc1COc1ccccc1 32978590 XRXMOULEJMQUTP-UHFFFAOYSA-N 393.512 4.570 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 39767586 BNCHXPFSQGCWEC-UHFFFAOYSA-N 376.422 4.865 0 40 GJAB Cc1ccc(-n2nc(C)cc2NC(=O)c2sccc2Br)cc1 40132191 QEJZHUUJNNLOHN-UHFFFAOYSA-N 376.279 4.565 0 40 GJAB O=C(c1ccccc1Br)N(Cc1ccsc1)Cc1ccccn1 44446040 XYCSDIZIEVXMCE-UHFFFAOYSA-N 387.302 4.748 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1CC(O)=Nc2c1cnn2C(C)(C)C 49545460 SQYHSXDARMADCA-KRWDZBQOSA-N 377.492 4.623 0 40 GJAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc(Br)c1 65492966 PTYUOZOUQJIKAY-UHFFFAOYSA-N 395.300 4.995 0 40 GJAB CCN(CC)Cc1nnc2sc(/C=C/c3ccc(Cl)cc3Cl)nn12 71260570 GDCAZVOIYYWQHQ-SOFGYWHQSA-N 382.320 4.505 0 40 GJAB O=C(Nc1ccccc1COc1ccccc1)Nc1c[nH]nc1-c1ccccn1 95454931 IBJIROWNKVXABY-UHFFFAOYSA-N 385.427 4.695 0 40 GJAB Cc1ccc(-c2cc(C(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)on2)cc1 95960931 AUWFPVSJXOSDOA-WBVHZDCISA-N 384.382 4.537 0 40 GJAB O=C(Nc1ccc(-c2ccccn2)cn1)c1cnc2ccccc2c1C(F)(F)F 95977626 YYOHTDQBEDSWGE-UHFFFAOYSA-N 394.356 4.963 0 40 GJAB Fc1ccc([C@H]2Cn3nc(-c4nc(-c5ccccc5Cl)no4)cc3CO2)cc1 97087237 OKBRIPFKHKPEDI-GOSISDBHSA-N 396.809 4.664 0 40 GJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cn1)c1nc3ccccc3nc12 100926049 VLCBARWWNGCOCQ-FGZHOGPDSA-N 392.890 4.646 0 40 GJAB O=C(Nc1ccccc1)N1C[C@@H]2CN(CC(c3ccccc3)c3ccccc3)[C@@H]2C1 107249619 VGBVRAUDLWKVSQ-WIOPSUGQSA-N 397.522 4.667 0 40 GJAB CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219316109 JZEQISXPAYXOJI-QGZVFWFLSA-N 399.878 4.514 0 40 GJAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)cc1 222839847 LESGKFASAVWATD-SFTDATJTSA-N 376.529 4.562 0 40 GJAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 222923312 ISVRVIZXAVFJEC-NRFANRHFSA-N 396.531 4.920 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 223783094 NHAKAZYJIZVKOV-SFHVURJKSA-N 377.484 4.926 0 40 GJAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 223991312 BHTCODOWNLIPSY-QHCPKHFHSA-N 395.543 4.871 0 40 GJAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224081115 ZQEURVUGMRLZTJ-KRWDZBQOSA-N 375.896 4.536 0 40 GJAB COc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1OC 225298847 VOKDWTBVMSNFMA-UHFFFAOYSA-N 396.965 4.577 0 40 GJAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCC(C)CC1 225834301 UMPPQFJTOUTZCB-BXFSZVDSSA-N 391.508 4.574 0 40 GJAB COc1ccc(-n2cccc2CN(C)C(=O)c2ccc3nc(Cl)oc3c2)cc1 225984967 KZEZRCXADZUGHA-UHFFFAOYSA-N 395.846 4.553 0 40 GJAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)ccc1Cl 226856432 SBZBVVGPVMUOPL-UHFFFAOYSA-N 387.844 4.506 0 40 GJAB Cc1ccc(C2=NN3[C@H](c4ccsc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 240002259 PQIKPTVUDKLXJI-CTNGQTDRSA-N 380.900 5.952 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccc(-c3cccc(C(=O)O)c3)cn2)C1 257252149 JTSHDHRCISKPQY-SFHVURJKSA-N 382.460 4.561 0 40 GJAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C 408678356 FZPKAZXALSSYDQ-SFHVURJKSA-N 394.515 4.772 0 40 GJAB COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1F 408696137 WQFBAROMKGPCDI-UHFFFAOYSA-N 389.473 4.786 0 40 GJAB Fc1cccc(N2CC[C@@]3(CN(Cc4ccc(F)c(F)c4)CCC3(F)F)C2)c1 2055803771 SYPABQFMHXSDCZ-HXUWFJFHSA-N 396.403 4.842 0 40 GJAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1Sc1ccccc1)OC2=O 702384 HLUUFFCBFRTJKO-FGZHOGPDSA-N 381.497 4.898 0 40 GJAB CCOc1ccc(NC(=O)c2sc3nc4cc(OC)ccc4cc3c2N)cc1 1223615 UUSFTXDUBDYVLG-UHFFFAOYSA-N 393.468 4.691 0 40 GJAB CCCN(C(=O)c1ccc(OC)c(OC)c1)c1nnc(-c2ccccc2C)s1 1345304 KNXIFVRGVOMNBP-UHFFFAOYSA-N 397.500 4.588 0 40 GJAB COc1ccccc1OCCn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 2478133 ITKWBILCOZMGLR-UHFFFAOYSA-N 377.362 4.782 0 40 GJAB O=C(Cc1ccsc1)OCC(=O)N1c2ccccc2Sc2ccccc21 3233202 JKRAZUUNSDYCSP-UHFFFAOYSA-N 381.478 4.663 0 40 GJAB O=C(NCc1cccs1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 3367140 RLSOTVIHEGSSSK-UHFFFAOYSA-N 376.890 4.645 0 40 GJAB CCCCc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1 3373399 DXGDLPGLLZPMPV-UHFFFAOYSA-N 379.378 4.844 0 40 GJAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 3403192 MAQAZBORRLSUHZ-GOSISDBHSA-N 389.451 4.874 0 40 GJAB Cc1cc(Br)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 3991758 FODZCOVJUJBZAI-UHFFFAOYSA-N 395.105 4.865 0 40 GJAB Cc1ccccc1Cn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 4033509 FRDLUHSNCRJDKO-JOCHJYFZSA-N 395.506 4.909 0 40 GJAB O=C(Cc1ccccc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 4273260 IILLKJDXDLQVEI-UHFFFAOYSA-N 377.444 4.606 0 40 GJAB CCN(CC)CCN(C(=O)c1ccco1)c1nc2c(Cl)cccc2s1 4359483 RDDPXLXIICSKRQ-UHFFFAOYSA-N 377.897 4.531 0 40 GJAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 4731462 CPUSLFRWOYXSJB-IBGZPJMESA-N 381.863 4.930 0 40 GJAB CC1=C[C@@H](C)[C@H](CN(C2CCCCC2)S(=O)(=O)c2ccc(N)cc2)[C@H](C)C1 4758527 GMXNCELBMADRND-HMFYCAOWSA-N 390.593 4.831 0 40 GJAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)n(CC(C)C)c1C 5262889 MRNWBOMUVKWLGK-GFCCVEGCSA-N 385.455 4.693 0 40 GJAB O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccc(Cl)cc1Cl 5307813 OVJURGGOEOHDLL-UHFFFAOYSA-N 384.284 4.729 0 40 GJAB CCN1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2Cl)CC1 5644252 AIFLWWIOTGQKEO-UHFFFAOYSA-N 385.939 4.858 0 40 GJAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 6479864 GARVBOPIXJOTMK-UHFFFAOYSA-N 379.481 4.530 0 40 GJAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1-c1ccccc1 6560066 PJOUVOWTWFPZHO-UHFFFAOYSA-N 377.465 4.856 0 40 GJAB O=C(Cc1cccc2ccccc12)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 7036742 KOAIFPBUJPAVPK-UHFFFAOYSA-N 399.475 4.639 0 40 GJAB CCCN(Cc1ccc(C)cc1)C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 7485557 CDERBZVLMFKQSZ-UHFFFAOYSA-N 394.544 4.619 0 40 GJAB C[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 7830511 VWPHZHIECYLMEU-ITDFMYJTSA-N 389.904 4.722 0 40 GJAB CCc1ccc([C@H](NCC(=O)NCCc2nc3ccccc3s2)C(C)C)cc1 8728058 MTBSNIWGVJYVRW-HSZRJFAPSA-N 395.572 4.504 0 40 GJAB Cc1ccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3C)cc1Cl 9212225 LPYUNZOBVJWUEY-UHFFFAOYSA-N 392.894 4.723 0 40 GJAB CCOc1ccc(CCNC(=O)CSC/C=C/c2ccccc2)cc1OCC 9885505 WDLXOIGJSLTPLH-DHZHZOJOSA-N 399.556 4.589 0 40 GJAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)N[C@H]1CCCc2ccccc21 10140043 YTQYBXRXPFQDKU-DEOSSOPVSA-N 387.527 4.541 0 40 GJAB COc1ccc([C@@H](NC(=O)/C=C/c2cccc3ccccc23)c2nccn2C)cc1 10322957 BUSQKUILRBVBTJ-AIIPKAINSA-N 397.478 4.501 0 40 GJAB CCOC(=O)c1c(NC(=O)CCc2ccc(CC)cc2)sc2c1CCCC2 10433872 FZFHJJOCPAFQSB-UHFFFAOYSA-N 385.529 4.937 0 40 GJAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)cc2)cc1 12195464 VHXQCBDSNBJIGN-ISKFKSNPSA-N 386.451 4.946 0 40 GJAB C[C@@H](CN1CCC([C@H](NC(=O)C(C)(C)C)c2nccs2)CC1)c1ccccc1 12365686 LKEJPSTYVQFSDD-PXNSSMCTSA-N 399.604 4.862 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1cccc(C(F)(F)F)c1 12762663 HBVFAANJVYVFCV-UHFFFAOYSA-N 391.368 4.577 0 40 GJAB CC(C)(C)C(=O)Nc1ccc(C2=NN=C(Nc3ccccc3F)SC2)cc1 12805756 IJRFUSHZCFLPFK-UHFFFAOYSA-N 384.480 4.729 0 40 GJAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1c(F)cccc1F 12943697 ORMBXXPPLPNOAF-OAQYLSRUSA-N 384.451 4.613 0 40 GJAB CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 13495003 OEMSKEGXPMNYJA-HNNXBMFYSA-N 393.487 4.924 0 40 GJAB COc1cccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3OC)cs2)c1 14138473 JNRXTBIOFOXAMU-UHFFFAOYSA-N 388.876 4.662 0 40 GJAB C[C@H](NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1Cl 14230641 MNIVNWAOCBTVJS-AWEZNQCLSA-N 383.879 4.575 0 40 GJAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Br)c(Cl)c1 20459870 JOAJCKHRWFFFAQ-MRXNPFEDSA-N 398.684 4.907 0 40 GJAB COC(=O)c1cc(NC(=O)c2cc(C(C)C)nc3ccccc23)c(F)cc1F 22889862 LOCMCSMIAREVRZ-UHFFFAOYSA-N 384.382 4.675 0 40 GJAB O=C(NC1CC1)c1cc(NCc2cccc(C(F)(F)F)c2)nc2ccccc12 24753607 NRKKGLQLSJZEAL-UHFFFAOYSA-N 385.389 4.758 0 40 GJAB O=C(CSc1noc(Cc2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1 28527364 YYWBRLNNAUHRST-UHFFFAOYSA-N 394.283 4.698 0 40 GJAB Cc1ccc(-c2nc(C)sc2CC(=O)NCc2nc3ccccc3s2)cc1 31098329 PIFLTENPQVARDF-UHFFFAOYSA-N 393.537 4.896 0 40 GJAB O=C(COc1ccc(Oc2ccccn2)cc1)N[C@@H]1CCSc2ccccc21 32339147 AAGDZLUKQZXJOH-LJQANCHMSA-N 392.480 4.606 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2noc(-c3cccc(Cl)c3)n2)ccc1Cl 32623278 WTNYSPKUZUBQPB-NSHDSACASA-N 392.242 4.758 0 40 GJAB CN(C)c1ncccc1CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 32686741 WFQFVWBKKLOXTG-UHFFFAOYSA-N 399.416 4.763 0 40 GJAB Cc1nc(/C=C/C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)cs1 36393637 BIBYHJCXENZJQY-CVTTXWKISA-N 382.460 4.540 0 40 GJAB Cc1ccccc1Cn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21 40208271 HDYCRUPZHRMPFP-UHFFFAOYSA-N 397.522 4.685 0 40 GJAB Cc1ccc(-c2nc(CSc3nnc(N4CCCC4)n3C3CC3)co2)c(C)c1 48343828 WGGPELHDIUYAKR-UHFFFAOYSA-N 395.532 4.777 0 40 GJAB COC(=O)c1c(CN(C)Cc2ccco2)nc2ccccc2c1-c1ccccc1 57703553 PYDBJVVXGBUOFR-UHFFFAOYSA-N 386.451 4.913 0 40 GJAB COc1nc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc2ccccc12 65623529 ZDVGJFYGYDYMNJ-UHFFFAOYSA-N 393.443 4.682 0 40 GJAB COc1cccc(Oc2ccc(NC(=O)[C@@H](c3ccccc3)N(C)C)cc2)c1 66048491 OLJKASRASWNLPW-JOCHJYFZSA-N 376.456 4.729 0 40 GJAB CO[C@@H](C)c1cccc(NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 67284988 PIVWEVDGFMBJGA-DJJJIMSYSA-N 392.858 4.792 0 40 GJAB Cc1nc2c(C)cccn2c1CN1CCC[C@H]1c1cccc(Nc2ccccn2)n1 72375784 FTHPUQPFDLMZEB-FQEVSTJZSA-N 398.514 4.822 0 40 GJAB CCc1c(Br)c(N)c(Br)c2nc(-c3cccnc3)oc12 73642749 AUHYVCBNRJNCHD-UHFFFAOYSA-N 397.070 4.559 0 40 GJAB O=C(COc1ccc(Cl)cc1)N(CCc1cccs1)Cc1ccco1 77183939 JVXZEVKVWYMPFS-UHFFFAOYSA-N 375.877 4.645 0 40 GJAB CC(C)(C)c1ccccc1NC(=O)NCc1nccn1CCc1ccccc1 79051554 MYIODQAJRXZEJK-UHFFFAOYSA-N 376.504 4.745 0 40 GJAB Cc1csc(SCC2CCN(C(=O)NCCCc3ccccc3)CC2)n1 90608148 AIEFAECBGBGUJH-UHFFFAOYSA-N 389.590 4.598 0 40 GJAB O=C(O)Cc1sc(N2CCCCCC2)nc1-c1ccc(Br)cc1 95097155 LKOWIAZYYLARIJ-UHFFFAOYSA-N 395.322 4.580 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 95364916 ZVRYBETURWWDFL-MOPGFXCFSA-N 396.487 4.908 0 40 GJAB Cc1ccc(-c2ccc([C@H](c3c(O)n[nH]c3C)c3c(C)n[nH]c3O)o2)cc1Cl 96193501 GDZGCYVXZMJGSJ-UHFFFAOYSA-N 398.850 4.563 0 40 GJAB O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccccc1 97133876 RURQTQFJRQFMPK-ZNUIAYQCSA-N 389.495 4.603 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219331446 URFXLWAIWUXROF-SFTDATJTSA-N 397.515 4.888 0 40 GJAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C(C)C 222979227 CIHJWKHVSLKFEI-MRXNPFEDSA-N 387.545 4.737 0 40 GJAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)cc1 224119726 QCDKZEOQKIIVHL-UHFFFAOYSA-N 391.467 4.521 0 40 GJAB Cc1ccc(OCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1Cl 224120536 VJZRAOALXIJVKR-XSFVSMFZSA-N 381.859 4.977 0 40 GJAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225619435 FXFJOGWUNABMSE-XXBNENTESA-N 390.568 4.721 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N3c4ccccc4C[C@@H]3C)n2)cc1 225837069 LYYFVOMKXCYIMI-INIZCTEOSA-N 375.472 4.770 0 40 GJAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C(=O)OC 225840535 XOGLYZOEPGETFU-QFIPXVFZSA-N 393.524 4.822 0 40 GJAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@@H](Cc3nccs3)C2)cc1 257312902 UQDDVFGWNUDVQD-KRWDZBQOSA-N 378.497 4.573 0 40 GJAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1cccc(F)c1 257338955 YZPCMSKXALADJZ-HDJSIYSDSA-N 385.464 4.641 0 40 GJAB Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 257339048 YZZRZTHGYVKHPT-GOSISDBHSA-N 375.447 4.902 0 40 GJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cn(CC)c4ccccc34)S2)cc1 408789925 OQHPTXVVPSPVQE-WLJFKGHSSA-N 377.513 4.823 0 40 GJAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 409019473 ZHJOIAILLCDBHM-YXHQGMJNSA-N 385.441 4.788 0 40 GJAB COc1cc(CNc2ccc(C)c(C)c2)cc(I)c1OC 409116315 LOANARVYYHACLE-UHFFFAOYSA-N 397.256 4.537 0 40 GJAB Cc1nc([C@@H](NCc2ccsc2C(F)(F)F)c2ccc(Cl)cc2)no1 529543642 MIAOHTIEHNTRRL-ZDUSSCGKSA-N 387.814 4.991 0 40 GJAB CC(C)CN1C(=O)C2(CCN(C3CCCC3)CC2)C[C@H]1Cc1cccc(F)c1 2037846187 UQQLACDWNBZQPV-JOCHJYFZSA-N 386.555 4.650 0 40 GJAB Cc1cccc(COc2c(Br)cc(CO)cc2Br)c1 664607 VZMLKDBDRBKEIC-UHFFFAOYSA-N 386.083 4.591 0 40 GJAB C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 678434 QLUMTOGTQHGBPT-BBLPBDBVSA-N 383.422 4.612 0 40 GJAB COc1ccc(OC)c(-c2csc(N(Cc3ccccc3)C(=O)C3CC3)n2)c1 881027 AUNFMWLQVPVMSG-UHFFFAOYSA-N 394.496 4.771 0 40 GJAB O=C(Nc1ccccc1F)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919315 BNKUPZYYAVXBDX-SWLSCSKDSA-N 394.328 4.528 0 40 GJAB Cc1nc(SCC(=O)N2CCCC[C@H]2C)c2c3c(sc2n1)C[C@H](C)CC3 1326235 ZPZCQNOOBFSHDI-CHWSQXEVSA-N 389.590 4.618 0 40 GJAB COc1cccc(CN(Cc2ccccc2)C(=O)c2cc3ccccc3oc2=O)c1 1330012 YYSYXCMSHQSFIG-UHFFFAOYSA-N 399.446 4.644 0 40 GJAB O=C(COc1ncnc2sccc12)Nc1ccccc1Sc1ccccc1 2617646 AXZDXVGAGVHFKY-UHFFFAOYSA-N 393.493 4.860 0 40 GJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)Nc1nccs1 3254127 NFQDUDYRLLSVLY-CMDGGOBGSA-N 378.482 4.709 0 40 GJAB CC(C)c1ccccc1NC(=O)COC(=O)COc1ccc(Cl)cc1Cl 3262135 FRCUSQYZZMVERO-UHFFFAOYSA-N 396.270 4.678 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cccc(C(F)(F)F)c2)o1 3429645 NNELONHIOGJQAD-UHFFFAOYSA-N 375.302 4.946 0 40 GJAB CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)[C@@H]1[C@@H](C)[C@@H](C)CC[C@H]1C 5047944 KGSXORVANNQUIT-YJMSJCLFSA-N 381.601 4.501 0 40 GJAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3)c3ccccc23)o1 5242827 NUMSSVURBKBHNO-UHFFFAOYSA-N 376.437 4.969 0 40 GJAB CS(=O)(=O)N(CCCCn1c2ccccc2c2ccccc21)Cc1ccco1 5521175 JKFDYLQRKDEBNN-UHFFFAOYSA-N 396.512 4.630 0 40 GJAB Cc1ccc(C(C)C)c(OC[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c1 5587974 SOJHDBSZLIUFHT-OAHLLOKOSA-N 392.421 4.927 0 40 GJAB NC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2 6329261 LDVBMGNWBXSFIP-UHFFFAOYSA-N 383.300 4.675 0 40 GJAB [O-][n+]1c2c(n(O)c1-c1ccc(Br)cc1)-c1cccc3cccc-2c13 6926795 PLCNOQPEIJDMMR-UHFFFAOYSA-N 379.213 4.589 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 7060788 WQPYZTUIJLHLOW-FQEVSTJZSA-N 378.859 4.840 0 40 GJAB CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 7610614 FBAOSZLHEZSUNO-UHFFFAOYSA-N 392.455 4.641 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 7922642 MUYQMIJRDXUXSP-UHFFFAOYSA-N 382.641 4.532 0 40 GJAB CCc1cccc(C)c1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 8007549 GUFZPVGIFWVDFK-UHFFFAOYSA-N 389.499 4.636 0 40 GJAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@H]2CCCO2)cc1 8186755 OFNKDXCRGBKEPE-GOSISDBHSA-N 385.920 4.783 0 40 GJAB COc1cc(OC)c2c(-c3ccccc3)cc(S[C@@H]3C[C@@H](C)OC3=O)nc2c1 9592178 VJDRPPGDORGJLR-BFUOFWGJSA-N 395.480 4.715 0 40 GJAB COc1cc(CCC2CCN(C(=O)Nc3cccc(C)c3)CC2)cc(OC)c1 10407295 JMBBVMSFKOMVRQ-UHFFFAOYSA-N 382.504 4.889 0 40 GJAB O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(NC(=O)c2ccco2)c1 11177576 LSRAYGYWZAEWAY-UHFFFAOYSA-N 387.439 4.975 0 40 GJAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cccc(C(F)(F)F)c1 12768635 AXWMPKKRXWBCJM-UHFFFAOYSA-N 378.350 4.532 0 40 GJAB Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(C)s1 12873072 UFGFWGFSBBHNHK-UHFFFAOYSA-N 383.498 4.625 0 40 GJAB CCOc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12935840 ILUHPKLTNCTKDV-HSZRJFAPSA-N 392.524 4.733 0 40 GJAB CCCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1CC(C)C 13690615 XPZCVSVZABYNRI-UHFFFAOYSA-N 390.549 4.641 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 13691128 NMYQNZJCFHVYAZ-UHFFFAOYSA-N 397.931 4.734 0 40 GJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccccc1 21786976 JZEHNWDMEGZVGL-QFIPXVFZSA-N 391.515 4.969 0 40 GJAB C[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)c1ccccc1F 22241847 SKNBPRYJQNNTTH-AWEZNQCLSA-N 376.431 4.818 0 40 GJAB Cc1cccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCS2)c1 28527479 RMGBFLIFUFGRJD-UHFFFAOYSA-N 390.455 4.779 0 40 GJAB Cc1nc(-c2ccncc2)sc1C(=O)N1CCC(Cc2ccccc2)CC1 31864821 ZGVAKUJZNRHFEH-UHFFFAOYSA-N 377.513 4.608 0 40 GJAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccc(C)cc2C)CC1=O 31903455 HXPJBVNZMFSGQP-HXUWFJFHSA-N 375.516 4.817 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)on2)cc1 32833458 OWUGPGYIZQAHFI-UHFFFAOYSA-N 387.395 4.748 0 40 GJAB COc1ccccc1-c1cc(COC(=O)c2cccc3c2O[C@H](C)[C@H]3C)on1 32865977 BCURJSZZVGPEMM-ZIAGYGMSSA-N 379.412 4.592 0 40 GJAB CC(C)c1cc(C(=O)O[C@@H](C)C(=O)NCc2ccccc2)c(O)c(C(C)C)c1 32956596 QOLOUXJSZFTXGB-INIZCTEOSA-N 383.488 4.501 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-c2coc(C)n2)cc1 40052071 HVSZAXGXAJYTPF-JOCHJYFZSA-N 387.439 4.553 0 40 GJAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1C 41078078 TYNNRYNWQXLQRD-UHFFFAOYSA-N 377.488 4.897 0 40 GJAB O=C(COc1ccc(F)cc1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 41086012 SBZAOUOGXIVMFJ-UHFFFAOYSA-N 380.350 4.791 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCC2)cc1 44857201 AWMPWZRVDLOCDA-CSKARUKUSA-N 389.326 4.919 0 40 GJAB CCOC(=O)c1nc(CN2CCc3sccc3[C@H]2c2cccs2)cs1 48009421 JSPZFJPQJLPKPR-INIZCTEOSA-N 390.555 4.591 0 40 GJAB Cc1nc(S[C@H](C)C(=O)Nc2ccnn2C(C)C)n(C2CCCCC2)c1C 48325830 VBOVKSMTCRJQPC-MRXNPFEDSA-N 389.569 4.902 0 40 GJAB CC(C)Cc1nnc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)s1 57809936 CFFGBRNKFUGXOA-UHFFFAOYSA-N 392.937 4.695 0 40 GJAB Cc1ccc(-n2nc(-c3nc(-c4ccc(F)cc4)no3)c3ccccc3c2=O)cc1 64949593 VRHFBOQUKDBIKD-UHFFFAOYSA-N 398.397 4.550 0 40 GJAB O=C(c1ccc(COc2ccccc2F)o1)N1CCCc2c(F)cc(F)cc21 65504126 CERHKOVDASVQFQ-UHFFFAOYSA-N 387.357 4.869 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c2ccccc12 72027141 WZIBLXKABXDQKD-UHFFFAOYSA-N 378.453 4.588 0 40 GJAB Cc1nc(CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 84274701 HKNCKWHKXSHCRB-UHFFFAOYSA-N 382.329 4.761 0 40 GJAB Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1nc(-c2cccnc2)cs1 95980500 RELVUAZUBXXLNM-UHFFFAOYSA-N 395.875 4.605 0 40 GJAB COCCn1c(C(=O)Nc2ccc(C)nc2)cc2c1c1ccccc1n2C(C)C 96037309 FAHIVGHNEXSELJ-UHFFFAOYSA-N 390.487 4.779 0 40 GJAB COc1cccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)c1OC 96194186 AYUMLBXOTLRVOQ-UHFFFAOYSA-N 392.440 4.592 0 40 GJAB O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344080 HKCQHUTUCJWUMD-JOCHJYFZSA-N 394.559 4.930 0 40 GJAB CC(=O)NC[C@H]1CC[C@H](c2c(C(=O)N3CCCC3)sc3ccccc32)CC1 100658099 YDNPWWPMFNJZTI-CALCHBBNSA-N 384.545 4.547 0 40 GJAB O=C(NCc1ccc([C@@H](O)c2ccco2)s1)Nc1cccc(C(F)(F)F)c1 206689016 IVFRVRBPVGJWTI-INIZCTEOSA-N 396.390 4.763 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 223019768 CPDBDMSPOIOZPK-KRWDZBQOSA-N 396.270 4.885 0 40 GJAB C[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCC2 223224378 IJZRZERWVIMHCA-QGZVFWFLSA-N 396.962 4.918 0 40 GJAB CCc1cccc(C)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 223242315 GDHBVTPEAZVRKP-QNGOZBTKSA-N 388.467 4.868 0 40 GJAB CC(C)CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223350418 FBDNQIQIHKDBPA-QFIPXVFZSA-N 380.532 4.575 0 40 GJAB C[C@H]1CCCCN1c1ccc(NC(=S)NCCCc2ccc(F)cc2)cn1 223968932 UAAFNCATJYXGGL-INIZCTEOSA-N 386.540 4.519 0 40 GJAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1Cl 224149543 OXCLEQJSGWXXIW-INIZCTEOSA-N 389.923 4.908 0 40 GJAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c(C)[nH]1 224258278 QSTWWBXKZXKYAE-SFTDATJTSA-N 376.529 4.820 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC)c1ccc(OC)cc1 225258934 FYHDTQQEGHXYCK-PKTZIBPZSA-N 381.516 4.999 0 40 GJAB Cc1ccccc1CSCCNC(=S)Nc1cccc(Br)c1 225360203 UVTZMVUEHRDQKG-UHFFFAOYSA-N 395.391 4.977 0 40 GJAB CCCSc1nnc(NC(=O)CCc2c(Cl)cccc2Cl)s1 225365202 QLUUOYHCJNWYMA-UHFFFAOYSA-N 376.334 4.918 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c(C)c1 408679706 KAJPNNTUXOGNLG-OAHLLOKOSA-N 395.927 4.913 0 40 GJAB CCOC(=O)C1=CNc2c(-c3ccc(Cl)cc3)cnn2[C@H]1c1ccccc1 409026259 KDIILVWXLHEQOD-IBGZPJMESA-N 379.847 4.665 0 40 GJAB O=C(NCC[C@H](CCO)c1ccsc1)C1(c2ccc(Cl)cc2)CCCC1 575606847 JTBFHYMNSUAHIP-MRXNPFEDSA-N 391.964 4.886 0 40 GJAB CCc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C(C)C)cc1 670417816 JRVSTFRKRLNUID-SFHVURJKSA-N 392.421 4.661 0 40 GJAB O=C(Nc1ccc(-c2ccccc2F)nn1)C1(c2cccc(F)c2)CCCC1 1617054280 UZWNEWRVWFCNAK-UHFFFAOYSA-N 379.410 4.872 0 40 GJAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC(C)(C)C 901091 OQXGFEHUCQHPEG-NSHDSACASA-N 383.439 4.558 0 40 GJAB Cc1ccc2nc(Cl)c(CN(C(=O)c3cnccn3)C3CCCCC3)cc2c1 1367646 SDZQBKRKUCPMBT-UHFFFAOYSA-N 394.906 4.962 0 40 GJAB CCCC(=O)Oc1cccc(Nc2ncnc3ccc(Br)cc23)c1 1912301 WUBAJOPYKGHPBM-UHFFFAOYSA-N 386.249 4.841 0 40 GJAB COc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1OC 2224592 ANJPDLIRGKSZAX-UHFFFAOYSA-N 388.452 4.714 0 40 GJAB CC[C@@H](C)COC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2264153 RDTKSJFYMKCEBK-CQSZACIVSA-N 388.471 4.667 0 40 GJAB COc1ccc(-n2c(SCC(C)=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2638808 KANZXKGTHQKNSM-UHFFFAOYSA-N 395.528 4.922 0 40 GJAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1cc(Cl)ccc1Cl 2658076 ITLKLKKTSLKOGW-JTQLQIEISA-N 384.284 4.884 0 40 GJAB CC[C@H](C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(C)cc1 2721831 XCSOXLUJTWLCOS-ZDUSSCGKSA-N 377.487 4.966 0 40 GJAB CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1 3398517 JXQXXCHEVVHQBR-JOCHJYFZSA-N 383.495 4.796 0 40 GJAB aggregator Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(-c4ccccc4)cc3)cc12 4032916 PVLAJDUISLMYIN-UHFFFAOYSA-N 396.490 4.784 0 40 GJAB Oc1nc(Nc2ccccc2C(F)(F)F)nnc1Cc1ccccc1Cl 4225154 NTBRXACOAVOFMA-UHFFFAOYSA-N 380.757 4.584 0 40 GJAB C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)Nc1nc(-c2ccccc2)cs1 4332260 BWMXYDXSKFFWIS-ZDUSSCGKSA-N 392.436 4.740 0 40 GJAB O=C(NCCc1nc2ccccc2n1Cc1cccc2ccccc12)c1ccco1 4386813 FWLQWFAXPWHYBI-UHFFFAOYSA-N 395.462 4.803 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)s2)c1 4878586 YFZRJQUUZHMQNQ-OFQRWUPVSA-N 390.578 4.623 0 40 GJAB Cc1nc2nc(SCC(=O)c3ccc(Cl)cc3)[nH]c2cc1Br 5454397 NCXYFYFDDPDGPD-UHFFFAOYSA-N 396.697 4.657 0 40 GJAB CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(CC)CC)c3N2)cc1 6759779 VNEAOSQSBMZIFD-SJORKVTESA-N 394.441 4.588 0 40 GJAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3Cc3ccccc3)CC2=O)cc1 7344650 JCNHZWKXCFEUPN-QHCPKHFHSA-N 398.506 4.573 0 40 GJAB CCCCCC(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)c(Cl)c1 7496780 ZXNBOSUCSJFQEV-UHFFFAOYSA-N 393.959 4.554 0 40 GJAB C[C@H](NC(=O)[C@@H](C)OC(=O)/C=C/c1cccs1)c1ccc(Cl)cc1Cl 7554567 FDWYTTUXNGQTBD-TXBNAWBVSA-N 398.311 4.877 0 40 GJAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)CC)cc2)CC1=O 7929380 RQPFNYAJJFFWJG-KRWDZBQOSA-N 395.499 4.731 0 40 GJAB CCOCCCNCc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 8253183 DAFICVWMBQMOSX-UHFFFAOYSA-N 377.912 4.834 0 40 GJAB CCc1ccccc1CN(C(=O)Nc1ccccc1)c1nnc2n1CCCCC2 8338777 VPTWSHLNRVFOQJ-UHFFFAOYSA-N 389.503 4.806 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)cc1 8434710 VWQFOMAEVVEFLI-UHFFFAOYSA-N 390.439 4.517 0 40 GJAB O=C(OCc1csc(Nc2ccccc2)n1)c1cncn1-c1ccc(F)cc1 9378120 IVYAPASEIZRNOV-UHFFFAOYSA-N 394.431 4.569 0 40 GJAB O=c1c2c(-c3ccccc3)csc2ncn1CCOc1ccccc1Cl 9644063 DCVCERFWAILGFV-UHFFFAOYSA-N 382.872 4.857 0 40 GJAB O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)c1ccccc1 10453254 FLQBSABKZIYKKB-UHFFFAOYSA-N 385.286 4.881 0 40 GJAB COc1ccc([C@@H](NC(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)C(C)C)cc1 11052913 MKBJMXXNSPGRBH-GYCJOSAFSA-N 395.499 4.586 0 40 GJAB COc1ccc2c(c1)C=C(CN[C@@H](Cc1ccsc1)c1ccc(C)cn1)CO2 12223199 DRVOMXXBRYGGPX-QFIPXVFZSA-N 392.524 4.810 0 40 GJAB Cc1cc(-c2cnc(NCCCN3CCCC[C@H]3C)nc2-c2ccoc2C)on1 12251501 SWPOIOGWGGVJHY-MRXNPFEDSA-N 395.507 4.685 0 40 GJAB CCc1ccc([C@H](NC(=O)Cc2ccc(OC)cc2)c2cccc(F)c2)cc1 12692860 RNHHYCBFSLUGSO-DEOSSOPVSA-N 377.459 4.845 0 40 GJAB Cc1ccsc1/C=C(\Cl)c1nnc(C(=O)NCc2ccc(F)cc2)s1 12913746 BPBLAPCJUGTIDY-JYRVWZFOSA-N 393.896 4.714 0 40 GJAB CCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 13058363 JBENWEJLZSMOJS-UHFFFAOYSA-N 379.787 4.558 0 40 GJAB C[C@H](NCC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1Br 13063306 SXZJEAIOYBAHNL-JTQLQIEISA-N 385.664 4.531 0 40 GJAB O=C(Cc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 13691685 NKYGAFJVWZEHOQ-DEOSSOPVSA-N 392.462 4.550 0 40 GJAB O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1 16669728 OIEYJVITWSCBED-ZROIWOOFSA-N 378.222 4.829 0 40 GJAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c(C)c1 17025827 RMWNZYIXLVPKLY-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(CCc1ccccc1)C3 20412247 HGJMXFXZNFYKAM-UHFFFAOYSA-N 395.886 4.720 0 40 GJAB O=C(Nc1ccccc1F)c1cccnc1Nc1ccc(Br)cc1 22072839 LNFMGWLICMUMPJ-UHFFFAOYSA-N 386.224 4.979 0 40 GJAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1ccco1)Cc1cccs1 24460357 WKZIWHOSDYULQQ-UHFFFAOYSA-N 399.855 4.944 0 40 GJAB O=C(Oc1cccc(/C=C2\SC(=S)N=C2O)c1)c1ccc(Cl)cc1 27532450 SIBSORUJMQOYGQ-ZROIWOOFSA-N 375.858 4.888 0 40 GJAB O=C(Cc1cccs1)Nc1cccc(-c2noc(-c3ccccc3F)n2)c1 28221714 DGHCIEFJHOREJQ-UHFFFAOYSA-N 379.416 4.785 0 40 GJAB O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1cccc2ccccc12 32072730 JXQZBHDVQMDTQA-UHFFFAOYSA-N 379.419 4.973 0 40 GJAB Cn1cccc1[C@H]1CCCCCN1C(=O)CSc1nc2ccccc2s1 32902671 BMNINZBDQPXVTL-QGZVFWFLSA-N 385.558 4.871 0 40 GJAB COc1cccc(/C=C/C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1 32904156 IDORHUHLYPZBRW-XNTDXEJSSA-N 387.439 4.991 0 40 GJAB CC(C)C[C@H](NC(=O)CCCOc1ccc(F)cc1)c1nc2ccccc2[nH]1 40050495 ZJVJXTKLUBANGJ-FQEVSTJZSA-N 383.467 4.765 0 40 GJAB Cc1cccnc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 40143973 DHOKKJCENUSCPX-UHFFFAOYSA-N 389.286 4.681 0 40 GJAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1)N1CCCCC1 44086956 AWZBKRPIASNBRT-UHFFFAOYSA-N 395.503 4.783 0 40 GJAB CC(=O)c1cc(C(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)n(C)c1 83815635 ODMHYLGBCQXRSV-QFIPXVFZSA-N 392.524 4.687 0 40 GJAB CC[C@H](C(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccccc1 90607120 GFRVURATHOOCAG-QFIPXVFZSA-N 388.515 4.870 0 40 GJAB COC(=O)Nc1cccc(C(=O)Nc2ccc3ccc(Cl)c(Cl)c3n2)c1 95463212 SGTARMCNQIHNPX-UHFFFAOYSA-N 390.226 4.972 0 40 GJAB C[C@H](NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1)[C@H]1C[C@H]2CC[C@H]1C2 108850804 HUJBDQZODZRTGQ-VDNWNZSNSA-N 393.483 4.577 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCN(C)c1ccccc1 219345694 OYWKRIJNUYNRQN-JOCHJYFZSA-N 376.500 4.640 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1 223611685 GPEXMEXWYGCSOY-HSZRJFAPSA-N 394.559 4.651 0 40 GJAB CC(C)(C)c1ccc(OCCNC(=O)COc2cccc(C(F)(F)F)c2)cc1 223663164 GSHXXCQVRZZZLS-UHFFFAOYSA-N 395.421 4.577 0 40 GJAB Cc1cc(C)cc(CSCC(=O)NCc2cccc(CN3CCCCC3)c2)c1 224645268 ZQFLGNXSBGIWGZ-UHFFFAOYSA-N 396.600 4.839 0 40 GJAB CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(SC)cc1 224981611 FZSZNBSVNBXCJW-UHFFFAOYSA-N 376.330 4.931 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 243113522 JFZGQLUUPOSRCE-QGZVFWFLSA-N 384.907 4.765 0 40 GJAB Cc1cccc(N2CCN(C(=O)CSCc3ccc(Cl)cc3)CC2)c1C 255948095 XGKXDUIIKSPTSZ-UHFFFAOYSA-N 388.964 4.539 0 40 GJAB CC(C)n1nccc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257335989 YMRRTSCHBYWIBP-GOSISDBHSA-N 398.894 4.674 0 40 GJAB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1OC 408993027 BLSLQUDYFVJVAX-LGVJFWRDSA-N 379.456 4.699 0 40 GJAB CCN1C(=O)S/C(=C/c2ccc(-c3cccc(Br)c3)o2)C1=O 409095929 JBAGXHGRIIOOKW-NTEUORMPSA-N 378.247 4.765 0 40 GJAB CCOc1ccc(-n2c(C)nnc2SCCOc2ccccc2Cl)cc1 409108408 XOMIZNSOXRUCEH-UHFFFAOYSA-N 389.908 4.799 0 40 GJAB O=C(Nc1cc(-c2ccccc2F)on1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 1217068353 QZTYAHVVPDUTQL-PXNSSMCTSA-N 399.397 4.662 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565519945 XLNQJVYMMCFGEF-VXKWHMMOSA-N 385.511 4.800 0 40 GJAB O=C(NCc1cccc2ccccc12)N[C@H](c1cccs1)C1CCOCC1 1565523657 SYPPKHPUZCRJQR-NRFANRHFSA-N 380.513 4.868 0 40 GJAB CC(C)Oc1ccccc1CN1CCOCCCCc2ccccc2OCC1 2037978135 COJBLMJFXBYUNC-UHFFFAOYSA-N 383.532 4.708 0 40 GJAB CCOc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccccc1 663833 JZUOIBKPRZZXJN-UHFFFAOYSA-N 390.435 4.704 0 40 GJAB O=C(N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1)Oc1ccccc1Cl 956959 XLRHWADGRKEQIB-OAHLLOKOSA-N 394.132 4.769 0 40 GJAB CC(=O)O[C@H](CC(=O)c1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 2270544 WRNDYOSGPMXTEN-LLVKDONJSA-N 378.466 4.868 0 40 GJAB Cc1ccc(C)c(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1 2725345 QWMAFGFHALIIEW-KRWDZBQOSA-N 386.757 4.766 0 40 GJAB Cc1cc2nnc(SCC(=O)NC3CCCCCCC3)n2c2ccccc12 3292985 RHLJAJCNFQKKEF-UHFFFAOYSA-N 382.533 4.512 0 40 GJAB O=C(c1ccccc1F)N1CCN=C1SCc1cccc(C(F)(F)F)c1 4120432 XWLKYJBEGKXQDJ-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB Cc1cc(C)c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)cc(C)c2c1 4161032 LUCMJOJRCGXEHO-UHFFFAOYSA-N 380.469 4.620 0 40 GJAB Cc1sc2nc([C@@H](C)Sc3ccc4c(c3)OCCCO4)[nH]c(=O)c2c1C 4485722 LPQVNNUKRQTQMF-GFCCVEGCSA-N 388.514 4.616 0 40 GJAB CCCCOc1cccc(C(=O)Nc2nnc(-c3cccc(SC)c3)o2)c1 4585597 ZCRYFQXVRFCYIX-UHFFFAOYSA-N 383.473 4.890 0 40 GJAB Cc1cc(C)cc(OCCSc2nc(C)c(Cc3ccccc3)c(O)n2)c1 4625642 JATIUQUPVNCJOU-UHFFFAOYSA-N 380.513 4.869 0 40 GJAB Oc1ccc2c(c1)Oc1ncn3nc(-c4cccs4)nc3c1[C@H]2c1ccccc1 5176060 AEZRCVNYOIUYGO-SFHVURJKSA-N 398.447 4.844 0 40 GJAB O=C(CSc1ccc(-c2ccco2)nn1)Nc1cc(Cl)cc(Cl)c1 5442290 YMHAYHNXMCEQQT-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@@H]2c2ccccc2)c(C)c1 5452154 UJZUDIAJDGJDDH-DEOSSOPVSA-N 384.479 4.733 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCc1c[nH]c2ccccc12 5861459 JLHUQBIHJMCBBS-PLMTUMEDSA-N 385.504 4.648 0 40 GJAB Cc1ccccc1-c1noc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)n1 6217791 VQGXYISTSPHARS-UHFFFAOYSA-N 388.398 4.994 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 6454402 AXIKEXFWYHHFKT-JTQLQIEISA-N 384.284 4.899 0 40 GJAB CSc1ccc(CN(C)Cc2nc(O)c3ccc(C(F)(F)F)cc3n2)cc1 6475746 VRQIZTUZMKPMER-UHFFFAOYSA-N 393.434 4.708 0 40 GJAB O=C(Oc1ccc2ccccc2c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 6865061 ABOOUJXCFYYLBG-UHFFFAOYSA-N 393.398 4.860 0 40 GJAB CC(C)Oc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 7389827 AQTLIPJFVPCZMJ-UHFFFAOYSA-N 387.439 4.607 0 40 GJAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(C)n2C2CC2)c2ccccc2)cc1 7617471 QSQDXRHUKYJPCR-IBGZPJMESA-N 378.501 4.702 0 40 GJAB CC(=O)c1cccc(OCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 7670366 MVXIQBBLIULZES-UHFFFAOYSA-N 380.469 4.647 0 40 GJAB COc1ccc(CN(Cc2cccs2)C(=O)c2cc(C)oc2C)cc1OC 7777214 BDRNWDWUKGFMJY-UHFFFAOYSA-N 385.485 4.818 0 40 GJAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 7889137 DYRDYSWUFFKXNY-UHFFFAOYSA-N 386.451 4.689 0 40 GJAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@H](c2nc3ccccc3s2)C1 8156083 BZAOXZDKADLPGD-UGSOOPFHSA-N 398.915 4.659 0 40 GJAB CCNCc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 8227156 FVGPRCAXHINDSP-UHFFFAOYSA-N 382.273 4.675 0 40 GJAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1 8345613 BNWYZUJHGNGABV-IBGZPJMESA-N 382.485 4.909 0 40 GJAB C[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 8394750 JKHYYHCSXZYXPE-LLVKDONJSA-N 377.815 4.741 0 40 GJAB COc1ccc(Br)cc1CSc1nnc(-c2ccccc2)o1 8515244 PJPLPTJALYDCAI-UHFFFAOYSA-N 377.263 4.800 0 40 GJAB O=C1c2ccccc2CC[C@@H]1Sc1nc2ccccc2c(=O)n1-c1ccccc1 8816123 OXDMYNPFTHVGGV-NRFANRHFSA-N 398.487 4.676 0 40 GJAB CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)(C)C)cc1 9463587 SBCLUYDVAUZURT-UHFFFAOYSA-N 378.472 4.506 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)c(C)c1 9668726 MJTOEJKYMZIGKJ-UHFFFAOYSA-N 387.439 4.833 0 40 GJAB COc1cc2c(cc1NCC(=O)Nc1ccccc1C(C)=O)oc1ccccc12 11619304 JLRQMCSZYOHRGL-UHFFFAOYSA-N 388.423 4.848 0 40 GJAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)C(C)C)n(C2CCCC2)c1C 12408778 WDFFJZVMJZHXND-UHFFFAOYSA-N 388.533 4.647 0 40 GJAB O=C(Nn1cnc2ccccc21)c1ccccc1-c1ncc(-c2ccccc2)o1 12789748 UUGRBYCZJKPOHG-UHFFFAOYSA-N 380.407 4.742 0 40 GJAB O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1c(Cl)cccc1Cl 12921264 XTWMOIJMOYLKOF-CYBMUJFWSA-N 392.304 4.648 0 40 GJAB CCOCCn1/c(=N/C(=O)c2cc(Cl)ccc2Cl)sc2ccccc21 13100710 MODPFEARLJRYRX-UZYVYHOESA-N 395.311 4.787 0 40 GJAB COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2)c1 13581549 IDWDNFSXVZFEKD-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB COc1cc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c(OC)cc1Cl 13709441 YCZQHHRNNKAHLM-ZDUSSCGKSA-N 385.847 4.916 0 40 GJAB C[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3Cl)c2C(N)=O)C1 14093866 BNJZKIUISBOQNW-MRVPVSSYSA-N 383.300 4.531 0 40 GJAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 14404487 DQGDBAHMNHHQJJ-LFYBBSHMSA-N 394.862 4.584 0 40 GJAB COc1cc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 17078797 ZDRAXIXOTLYEDA-UHFFFAOYSA-N 386.395 4.540 0 40 GJAB CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3cccs3)CC2)n1 19450344 WGCNRCCIRXEHOA-UHFFFAOYSA-N 393.560 4.800 0 40 GJAB COc1ccc(C2(NCc3cc4ccccc4nc3N(C)C)CCCC2)cc1 19584091 QHUAIPLFKFSXIS-UHFFFAOYSA-N 375.516 4.869 0 40 GJAB CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)n2)cc1 22409311 YMAGGINJSWLMBN-AZUAARDMSA-N 381.520 4.831 0 40 GJAB CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2ccc(C(F)(F)F)cc2)c1 24356640 FQGUPWKVEJRQHB-UHFFFAOYSA-N 393.409 4.741 0 40 GJAB Cc1ccc2nc(NC(=O)COc3ccc(Oc4ccccn4)cc3)sc2c1 29441160 YXQYOWOLPCOHBR-UHFFFAOYSA-N 391.452 4.810 0 40 GJAB O=C(CCSc1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 29633299 AVZKSIPRBGJAOO-UHFFFAOYSA-N 381.526 4.619 0 40 GJAB Cc1cccc(Cn2nccc2NC(=O)c2sc(-c3cccs3)nc2C)c1 30527155 YYGXBHZUDWVHKZ-UHFFFAOYSA-N 394.525 4.986 0 40 GJAB COc1cc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc2c1O[C@H](C)C2 32001501 DLCJTHAHZMYYOF-OAHLLOKOSA-N 399.450 4.586 0 40 GJAB CC1CCN([C@@H](CNC(=O)c2cccc(OC(F)F)c2)c2cccs2)CC1 33028224 OJZARYPWAVJXTI-KRWDZBQOSA-N 394.487 4.553 0 40 GJAB COc1cccc(-c2noc(-c3cn(-c4ccccc4)c(=O)c4ccccc34)n2)c1 35503819 GPXHEPYHBMKNFJ-UHFFFAOYSA-N 395.418 4.716 0 40 GJAB COc1cc2c(cc1/C=C/C(=O)Nc1ccccc1OC(F)(F)F)O[C@@H](C)C2 36791134 OXJRGMJDDNHXCS-GUOLPTJISA-N 393.361 4.569 0 40 GJAB CC(C)(C)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 40433979 GVUXGAUXGMHUSZ-FQEVSTJZSA-N 381.472 4.805 0 40 GJAB CCOC(=O)C(=O)N1c2ccc(C)cc2[C@](C)(c2ccc(C)cc2)CC1(C)C 59428089 CXEMPPWVRRDWMH-DEOSSOPVSA-N 379.500 4.688 0 40 GJAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccccn2)c1 67259345 JTQGTJZSYYUBOV-UHFFFAOYSA-N 387.508 4.749 0 40 GJAB CC(=O)Nc1ccccc1[C@@H]1CC(c2cccs2)=NN1C(=O)c1cccs1 95946125 NAETWNWWNBFBTE-KRWDZBQOSA-N 395.509 4.760 0 40 GJAB COC1CCN(c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)CC1 96104513 WERSZNLCZYFWJN-UHFFFAOYSA-N 393.409 4.965 0 40 GJAB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccco1 102362718 QXRGOEYOJSGCPT-FXUDXRNXSA-N 396.516 4.838 0 40 GJAB CC[C@H](NC(=O)[C@@H](CC)Oc1cc(C)ccc1C)c1ccc(OC)c(OC)c1 219379639 XHWOCVGDPZDJOG-RBUKOAKNSA-N 385.504 4.746 0 40 GJAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(I)cc2)cc1C 223403825 FDCJDNQCWQHEKG-AWEZNQCLSA-N 393.268 4.707 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1cccc(C)c1C 223945407 FTVSQUKQNKROOQ-OAQYLSRUSA-N 377.484 4.809 0 40 GJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCOc1ccc(C(C)(C)C)cc1 225181753 ZFULZTWTNGPEHA-GOSISDBHSA-N 395.543 4.825 0 40 GJAB CCOCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 225559554 YZXWJSCIRODIGM-UHFFFAOYSA-N 397.515 4.951 0 40 GJAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225619475 PSZQRTNFQCNAJS-WMZHIEFXSA-N 390.568 4.864 0 40 GJAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)N[C@H](C)CC 225748211 VXVAMZHDXNHHHQ-CXAGYDPISA-N 387.351 4.815 0 40 GJAB CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Cl)nc2c1 226344169 BISPZFBKGAVUJA-UHFFFAOYSA-N 379.641 4.823 0 40 GJAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1ccc(-c2ccsc2)cc1 238864588 LLZGGFNHCUIVSM-NRFANRHFSA-N 395.505 4.736 0 40 GJAB CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccsc2)cc1 240122653 WFFFIFOIKNIYGN-UNMCSNQZSA-N 376.481 5.389 0 40 GJAB O=C(c1ccccn1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257278895 OECIJPGRQGUDGF-LJQANCHMSA-N 381.863 4.681 0 40 GJAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)CCc2ccccc2)nc1 257335743 YLPWBGFSKWKRFA-OAQYLSRUSA-N 375.472 4.650 0 40 GJAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cccc2c(Cl)cccc12 408628439 TXBXYYOJOSUMKU-UHFFFAOYSA-N 398.959 4.922 0 40 GJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)cc1 409339295 GYLKQEBREQZAIB-UHFFFAOYSA-N 397.500 4.559 0 40 GJAB O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)N2CCCC3(CC2)CC3)cc1 626302282 RBLMDLRYXKUFCG-UHFFFAOYSA-N 395.478 4.554 0 40 GJAB CSCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 702122 QNEZWXSZZOHQDA-UHFFFAOYSA-N 389.311 4.788 0 40 GJAB O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccccc1 937531 YYADKMSEWGDPLY-LJQANCHMSA-N 397.478 4.636 0 40 GJAB Cc1cccc(-c2nsc(SCC(=O)Nc3nc4ccccc4s3)n2)c1 2917575 BCVZUPCPSCNNQG-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3024370 XOPOHIBJXSDISM-NSHDSACASA-N 378.822 4.630 0 40 GJAB Cc1ccc(-c2nc3ccccc3nc2NNC(=S)Nc2ccccc2)cc1 3211753 WIZYSLRBYKGHFO-UHFFFAOYSA-N 385.496 4.919 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)CCc1nc2ccccc2s1 3276514 HWQRGLYIFHABNB-OAHLLOKOSA-N 396.512 4.924 0 40 GJAB COCCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(OC)cc1 4169147 NDGNCJUHXHVJGT-UHFFFAOYSA-N 389.908 4.546 0 40 GJAB CCOc1ccc(-c2cnc(NC/C=C/c3ccccc3)n2CCOC)cc1 4679231 PSTPCRCSZYDJCI-JXMROGBWSA-N 377.488 4.721 0 40 GJAB O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCC(Cc2ccccc2)CC1 4751656 NLCULEHLMWSRCG-UHFFFAOYSA-N 381.859 4.541 0 40 GJAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 4884674 FZCFHIZHHOEBJV-OAQYLSRUSA-N 385.423 4.662 0 40 GJAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc1 5256209 GZHXZUPRKWWBEM-OAQYLSRUSA-N 379.435 4.663 0 40 GJAB CC(C)c1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1 6346523 NYQDHEFSUFJMEG-UHFFFAOYSA-N 381.501 4.509 0 40 GJAB Cc1nnc(S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)O)[nH]1 6455879 MYAKOFNWOUKBNF-AUWJEWJLSA-N 396.255 4.898 0 40 GJAB C[C@H](NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 6882064 GROOLNBGOCXINV-LBPRGKRZSA-N 385.722 4.956 0 40 GJAB CCCn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 6947984 FZGMHBOYFFYWDY-AWEZNQCLSA-N 392.956 4.502 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7881988 NXVUFERRLGUMQO-JTQLQIEISA-N 383.662 4.638 0 40 GJAB COCCOC(=O)c1c(C)n(Cc2ccccc2)c2c1cc(O)c1ccccc12 8783569 TZYWHSNJZPYLFT-UHFFFAOYSA-N 389.451 4.660 0 40 GJAB biogenic,in-vitro C[C@H](Oc1ccccc1F)C(=O)N1CCC(c2nc3ccccc3s2)CC1 11915917 ZBWFWTRJEGAVFI-AWEZNQCLSA-N 384.476 4.609 0 40 GJAB CNC(=O)c1ccccc1NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)oc1C 12372390 PWARWXUEVHKWIH-UHFFFAOYSA-N 392.499 4.668 0 40 GJAB C[C@H](Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)NCc1ccco1 12545195 HTVQDEHYWTXVQI-AWEZNQCLSA-N 377.469 4.673 0 40 GJAB Cc1ccc(-c2nc(CSc3nnnn3-c3ccccc3C)co2)c(C)c1 12758861 OTNYTRWYSRRUIK-UHFFFAOYSA-N 377.473 4.535 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1ccc(OC(F)(F)F)cc1)O[C@H](C)C2 12974572 VQHWNRIDMJDUBM-LLVKDONJSA-N 381.350 4.560 0 40 GJAB Cc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c2ccccc2n1 12988276 FDFYUYUDRAZPNO-HSZRJFAPSA-N 390.483 4.832 0 40 GJAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c(OC)c1 13002097 CRUKKXVXTDQEIA-KSEUIEODSA-N 394.496 4.690 0 40 GJAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13685413 JVLFIANMCFNATJ-QGZVFWFLSA-N 390.483 4.632 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccccc2C(F)(F)F)c(C(F)(F)F)c1 14119920 RJSMJWBKIVPYRX-UHFFFAOYSA-N 390.283 4.935 0 40 GJAB CCc1ccc(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1 15592850 RECWBLWKJCYZJJ-UHFFFAOYSA-N 380.444 4.694 0 40 GJAB Fc1cc2c(c(CN3CCC[C@H](c4nc5ccccc5s4)C3)c1)OCOC2 16046967 PFBOQOPQRVVUCJ-AWEZNQCLSA-N 384.476 4.682 0 40 GJAB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OC 16411849 OKBVBRMQFDMBKE-CXUHLZMHSA-N 384.863 4.910 0 40 GJAB c1ccc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)nc1 19401755 XPEGRLLMNFGMAH-IBGZPJMESA-N 377.444 4.583 0 40 GJAB CCCC(=O)N1CCC[C@@H](c2cc(Oc3ccc(NC(C)=O)cc3)cc(C)n2)C1 19501284 LVTZALZLMKJLNX-GOSISDBHSA-N 395.503 4.647 0 40 GJAB COc1ccc(CN2CN=C(c3ccccc3)N(c3cc(C)cc(C)c3)C2)cc1 19974127 AWPZYSRZGHXAJC-UHFFFAOYSA-N 385.511 4.996 0 40 GJAB COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1-c1ccc(CO)o1 20137695 PAQCNRBTHPDSLG-UHFFFAOYSA-N 379.456 4.997 0 40 GJAB Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20450556 TZEPNDJWXDRQSY-IBGZPJMESA-N 396.600 4.890 0 40 GJAB Cc1c(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)sc2ccccc12 21637141 JKNIGGJTYWAXHV-HNNXBMFYSA-N 376.485 4.624 0 40 GJAB CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc2c(c1)OCCCO2 21723314 NFFSDXSDXLDHON-UHFFFAOYSA-N 385.464 4.558 0 40 GJAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)sc2c1 21805994 GCXOUBFJZWUKFJ-SNVBAGLBSA-N 386.860 4.835 0 40 GJAB CC(C)n1nccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 22289868 AADNLGQYYDGAGA-UHFFFAOYSA-N 388.475 4.709 0 40 GJAB COc1cc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)ccc1OC(C)C 23125442 OFFDGFJXIBZIEF-UHFFFAOYSA-N 376.416 4.590 0 40 GJAB COc1cc(SC)ccc1C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 25055117 KSNLGOUMULPXPP-UHFFFAOYSA-N 398.509 4.728 0 40 GJAB CC(C)(C)C(=O)N1CCC(C(=O)OCc2ccc(-c3ccccc3)cc2)CC1 26016510 FRBQUABWAFVHEH-UHFFFAOYSA-N 379.500 4.682 0 40 GJAB CSc1ccc(Cl)c(C(=O)Nc2ccn(Cc3ccccc3F)n2)c1 27916003 YMTBEIASYQBLOR-UHFFFAOYSA-N 375.856 4.698 0 40 GJAB Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCc3sccc3C2)n1 32902875 SACLKQXORMHLPX-UHFFFAOYSA-N 395.553 4.646 0 40 GJAB CCOc1ccccc1Nc1nnc(SCC[C@H]2CCCCN2C)s1 32945160 YPQJOUNTLXKVES-CQSZACIVSA-N 378.567 4.647 0 40 GJAB COc1cccc2cc(/C=C/C(=O)Nc3nc(-c4ccccn4)cs3)oc12 36396383 ZXZSSXXNHBMYRL-CMDGGOBGSA-N 377.425 4.612 0 40 GJAB CCn1ncc2c(C(=O)N3c4ccccc4C[C@@H]3C)cc(-c3ccccc3)nc21 36615884 VDNLLHZHVMWZEC-INIZCTEOSA-N 382.467 4.710 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 36844779 XTLNZTKMIOMDRK-UHFFFAOYSA-N 379.843 4.975 0 40 GJAB CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)cc1OC 46633014 LOMVCJNSPDUYDF-QHCPKHFHSA-N 391.467 4.622 0 40 GJAB O=S(=O)(Cc1csc(COc2ccccc2)n1)Cc1ccc(Cl)s1 52438878 UBVKSLNIAWBCHT-UHFFFAOYSA-N 399.946 4.552 0 40 GJAB Cc1nc(C(=O)Nc2ccc(Nc3ccccc3)cc2)nn1-c1ccc(F)cc1 58357566 QDQMBDVTTLPOLD-UHFFFAOYSA-N 387.418 4.711 0 40 GJAB Cc1ccc(C)c(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 67299187 MQKRJZMMWGKYPZ-BZZOAKBMSA-N 388.423 4.511 0 40 GJAB Cc1nc(C2CCN(c3ccccc3)CC2)ncc1C(=O)Nc1ccc(F)cc1 72346321 SPRCGLZLUWGLAW-UHFFFAOYSA-N 390.462 4.560 0 40 GJAB Fc1ccc2ccnc(N3CCO[C@@H](c4ccc(Br)cc4)C3)c2c1 89780932 YRMAHTUNPUKBTO-GOSISDBHSA-N 387.252 4.714 0 40 GJAB Cc1csc(SCC2CCN(C(=O)CSCc3ccccc3)CC2)n1 90608100 GZDTXQOVMQYYNX-UHFFFAOYSA-N 392.615 4.716 0 40 GJAB COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 95957256 VRBFCFUIINLEKY-VQTJNVASSA-N 387.483 4.809 0 40 GJAB O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1ccccc1Sc1ccccc1 102402995 ATBLQDQEOQPXCG-XYJFISCASA-N 379.481 4.532 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(OC(C)C)cc1 113970560 USZDLLYNZHWVLF-FQEVSTJZSA-N 375.896 4.909 0 40 GJAB CCc1cccc(CC)c1NC(=O)c1cnc(-c2ccc(OC)cc2)nc1C 223145959 QWBYHDPUDMRHLB-UHFFFAOYSA-N 375.472 4.838 0 40 GJAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NC1CCCC1 224449220 CEJKNUWUKHZSCG-SFHVURJKSA-N 399.362 4.960 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@@H](CC)c2ccccc2)cc1Cl 225481400 PHXZLHSSCIHGFV-KRWDZBQOSA-N 376.909 4.954 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)ccc1OC(C)C 225831907 JOUYKAVMNLNRHX-KSFYIVLOSA-N 391.508 4.574 0 40 GJAB CCc1ccc([C@H](C)NC(=O)COc2ccc(CC)cc2Br)cc1 225835261 UANDVUADWXRHKK-AWEZNQCLSA-N 390.321 4.830 0 40 GJAB O=C(c1n[nH]c2ccccc12)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257215386 CPXGKTHYGWHOHB-HXUWFJFHSA-N 386.455 4.509 0 40 GJAB c1nc(C2CC2)oc1CN1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 628191446 LBJPYWDWNLAJOR-INIZCTEOSA-N 384.524 4.828 0 40 GJAB Cc1cc(NC(=O)c2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)cc2n[nH]cc12 1633141302 YVAOXDFDGUVMMB-CQSZACIVSA-N 394.475 4.709 0 40 GJAB CO[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242749 NQNVIZCRNXWPNH-PLWWPAAYSA-N 393.506 4.582 0 40 GJAB Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)c1 1006576 PGYPNALTYDUZLW-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1nnc2c(C)cc3cc(C)c(C)cc3n12 1223255 RBRKYCZTYDBGPP-GOSISDBHSA-N 396.560 4.691 0 40 GJAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CCCCC2)cc(OC)c1OC 1440307 LWFDGVGKVPTLCJ-QFIPXVFZSA-N 396.487 4.612 0 40 GJAB CC[C@@H](C)OC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2420220 IILRNKPJJWZMJG-OAHLLOKOSA-N 388.471 4.728 0 40 GJAB O=C(CCC(=O)c1cccs1)O[C@H](C(=O)c1ccccc1)c1ccccc1 3240816 IHOATZKQARYSSO-QFIPXVFZSA-N 378.449 4.878 0 40 GJAB Cc1ccc(C(=O)N(CCCN(C)C)c2nc(-c3ccc(F)cc3)cs2)cc1 4215037 JRHDRFCXXLOJFW-UHFFFAOYSA-N 397.519 4.856 0 40 GJAB CN(C)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)cc1 4304763 SAFVUFCIKDKYHJ-UHFFFAOYSA-N 388.496 4.604 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 4487822 UWPKTZBRWJAYLE-UHFFFAOYSA-N 398.846 4.981 0 40 GJAB O=C(c1ncoc1-c1ccc2ccccc2c1)N1CCN(C2CCCCC2)CC1 5002081 RSGYTKBJVSOXAN-UHFFFAOYSA-N 389.499 4.585 0 40 GJAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc(C)cc1 5019847 KGDZQDQAEIISBI-UHFFFAOYSA-N 391.467 4.601 0 40 GJAB C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccccc1-c1ccccc1 5208913 DHJMUDHZWHCPQY-MRXNPFEDSA-N 385.423 4.810 0 40 GJAB CC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 5347045 VHBYYOXUYWZMCM-MRXNPFEDSA-N 390.439 4.843 0 40 GJAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)c1ccc2c(c1)CCC2 5359799 ZDMZSUCLODEULR-UHFFFAOYSA-N 381.526 4.805 0 40 GJAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1cc(Cl)cc2c1OCOC2 5538170 OIWSDTDIXJKACX-UHFFFAOYSA-N 385.803 4.527 0 40 GJAB Cc1ccc(NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)cc1Cl 6301481 OIJXJJWRDSDZLC-UHFFFAOYSA-N 395.871 4.637 0 40 GJAB Cc1ccc(Cn2nc(C)c([C@H]3Nc4ccccc4C(=O)N3C3CC3)c2C)cc1 7886264 GLMBUCQDTFKOGF-QHCPKHFHSA-N 386.499 4.586 0 40 GJAB COc1ccc(OCCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 8231984 JDUPTQGIUFKLTK-LJQANCHMSA-N 396.512 4.828 0 40 GJAB Cc1csc(N(C(=O)CSc2ccc3c(c2)OCCO3)c2ccccc2)n1 8709488 BXKSIEBZUCCXDI-UHFFFAOYSA-N 398.509 4.680 0 40 GJAB O=C(Nc1ccc(F)cc1F)C1CCN(Cc2c(F)cccc2Cl)CC1 9063690 XBUWTMMZNGTTLY-UHFFFAOYSA-N 382.813 4.608 0 40 GJAB COc1ccc(CN(Cc2ccco2)C(=O)COc2cc(C)cc(C)c2)cc1 9204940 CXLUZKVJNRQGFU-UHFFFAOYSA-N 379.456 4.513 0 40 GJAB O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 11217658 OCXACCOAMVFZGJ-NRFANRHFSA-N 381.435 4.821 0 40 GJAB COc1ccc(OC)c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 11428138 VJMBGSISPIYSHJ-UHFFFAOYSA-N 386.835 4.584 0 40 GJAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 12137656 KASKXQYMUYUKMZ-HNNXBMFYSA-N 394.858 4.998 0 40 GJAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12226466 IZXVFELMCOQSAN-XCVCLJGOSA-N 392.352 4.845 0 40 GJAB O=S(=O)(Cc1ccccc1Cl)Nc1cccc(/C=C/c2ccncc2)c1 12375577 NTCSTZJVKDXEKB-CMDGGOBGSA-N 384.888 4.847 0 40 GJAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nnc(-c2ccco2)o1 12874156 KDNSAFZXXMOEQO-UHFFFAOYSA-N 387.420 4.989 0 40 GJAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccccc1O 12915532 WVVUBWJRDMRBIE-UHFFFAOYSA-N 378.375 4.716 0 40 GJAB O=C(CSCc1ccc(Cl)s1)Nc1ccc(CN2CCCC2)cc1 14141768 XBKGLLMLCBDEBO-UHFFFAOYSA-N 380.966 4.869 0 40 GJAB Cc1cccc(CCCn2ccc(-c3sc(NCc4ccco4)nc3C)n2)n1 14993221 POVGOXVSCUSXBK-UHFFFAOYSA-N 393.516 4.856 0 40 GJAB Fc1cc2c(c(CN3CCC(c4nc5ccccc5s4)CC3)c1)OCOC2 16699062 ILWRPJJCHNGOSR-UHFFFAOYSA-N 384.476 4.682 0 40 GJAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1OC 20460132 LNZXEAXWKYITIL-HZPDHXFCSA-N 379.456 4.502 0 40 GJAB CCOc1ccc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 20488953 VXVUHTFYBSQNCR-UHFFFAOYSA-N 384.328 4.942 0 40 GJAB CCOc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1cccs1 22076364 PCJBQSFDISSIMS-HXUWFJFHSA-N 383.513 4.549 0 40 GJAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Br)cc1F 22237507 WDRLWHQKIZDHLZ-UHFFFAOYSA-N 392.253 4.667 0 40 GJAB CC(C)Cc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3Cl)no2)cc1 23126277 QPFPPOATFIBHKN-UHFFFAOYSA-N 390.892 4.562 0 40 GJAB CSc1ncc(Cl)c(C(=O)NCC(C)(c2ccccc2)c2ccccc2)n1 25463183 JLUCMSDIMMWTHY-UHFFFAOYSA-N 397.931 4.588 0 40 GJAB C[C@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 27165054 WILOMXGBAHVLOY-CQSZACIVSA-N 396.512 4.510 0 40 GJAB Cc1ccc(-n2c(COc3ccccc3)nn(CN3CCCCC3)c2=S)cc1 27525237 DWRFCUDPEXUDIY-UHFFFAOYSA-N 394.544 4.734 0 40 GJAB CCOc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)c1 27584096 XQIKDEKJJTVCNR-QHCPKHFHSA-N 380.532 4.741 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccn(Cc2cccc(F)c2)n1 28234532 PPXKEGBAHGCNGL-UHFFFAOYSA-N 378.329 4.733 0 40 GJAB O=C(O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 30869111 ISDJRYMEYKHHIR-UHFFFAOYSA-N 393.464 4.808 0 40 GJAB C[C@H](c1cccs1)N(C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 32845089 FOZSZSCRDLPAAY-MRXNPFEDSA-N 391.496 4.808 0 40 GJAB O=C(CCc1ccc2c(c1)OCO2)N1CCc2sccc2[C@@H]1c1ccccc1 32848005 WOWXOGWLCKTTEF-QHCPKHFHSA-N 391.492 4.584 0 40 GJAB Cc1ccc(CSc2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2C)cc1 33616534 ORASAJFSTUCIDX-IBGZPJMESA-N 394.544 4.543 0 40 GJAB Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1ccccc1F 35400584 SPGUMTKAKAQKPH-UHFFFAOYSA-N 397.453 4.895 0 40 GJAB COc1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 36246372 OLCXAGYBNDJVSX-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB Cc1ccc(C(=O)CCC(=O)CCC(=O)N(C)[C@H]2CCc3ccccc32)s1 36837602 WVWCTOOFBGZGNO-IBGZPJMESA-N 383.513 4.515 0 40 GJAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)c1C 44846214 OHAZSLULHVVGPW-UHFFFAOYSA-N 399.487 4.540 0 40 GJAB CCn1c(Sc2ncnc3sc(C)c(C)c23)nnc1-c1ccccc1OC 48286600 LNJHCEBCRPWHOA-UHFFFAOYSA-N 397.529 4.746 0 40 GJAB Clc1ccc(-c2nc(NCCc3ccccc3)ncc2-c2ncc[nH]2)cc1 57761929 ADQDBVFOZZIQCT-UHFFFAOYSA-N 375.863 4.842 0 40 GJAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1 59332071 SHZBUCQXDSRHBA-UHFFFAOYSA-N 378.859 4.831 0 40 GJAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 59351858 JLYUZKFHTSCMRO-HZPDHXFCSA-N 385.504 4.646 0 40 GJAB Cc1cc(F)ccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nccs1 67298191 KEJQTHZVYABXGP-NMWGTECJSA-N 395.415 4.527 0 40 GJAB CN1CCC(NC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)CC1 72276818 WTCOOIMMJGQPLL-UHFFFAOYSA-N 395.506 4.879 0 40 GJAB Cc1ccc(-c2nc(NC(=O)c3csc(-c4ncccn4)n3)sc2C)s1 95947730 BJERUUOWUQOWBN-UHFFFAOYSA-N 399.526 4.654 0 40 GJAB CCOc1ccc(Nc2nnc(-c3nc(-c4ccccc4)oc3N)s2)cc1 96346491 PQYWWDWTCQNUGS-UHFFFAOYSA-N 379.445 4.585 0 40 GJAB Cc1ccccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 98072824 CEJOPALALAUMRR-UHFFFAOYSA-N 394.212 4.577 0 40 GJAB COc1ccc(NC(=O)c2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)cc2)cc1 103294766 FVKCJIOLXADGMJ-RYQLBKOJSA-N 378.472 4.712 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1C 103718500 XYDFJISISWGUAL-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 136532649 KOFFYIUBJAVTFU-HOTGVXAUSA-N 396.874 4.580 0 40 GJAB CC(C)c1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 222602161 VPBHXVUCAGQVSY-QHCPKHFHSA-N 396.550 4.910 0 40 GJAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1C(C)C 223322716 IHHYUAYTRAPPAZ-HNNXBMFYSA-N 395.952 4.961 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1Cl 223658526 KDRBHUFVENLYAP-MRXNPFEDSA-N 389.923 4.908 0 40 GJAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1 224332382 KIBCZJXRKBOAPB-FGZHOGPDSA-N 390.556 4.776 0 40 GJAB O=C(NCC1CCCCC1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 224546131 WCDSVEGRXPPGGM-UHFFFAOYSA-N 383.363 4.902 0 40 GJAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2c(C)cc(C)cc2C)c1 224631705 LKPMNIQAHUOOQB-STZFKDTASA-N 388.467 4.923 0 40 GJAB Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 225000146 FDXAVFRYXWOREL-UHFFFAOYSA-N 382.813 4.630 0 40 GJAB CCCSc1nnc(NC(=O)CCc2ccc(Cl)cc2Cl)s1 225381571 PQILFORBFZYGHJ-UHFFFAOYSA-N 376.334 4.918 0 40 GJAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccc(OC)cc2)c2ccccc2O1 225590460 VLEIDQCEVSDTIZ-JXFKEZNVSA-N 383.488 4.661 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2cccc(Br)c2)cc1 225618362 DDGXDXAUOGMJDB-LJQANCHMSA-N 390.321 4.904 0 40 GJAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)c(Cl)c1 225808511 ZSKXNKQYIRQTLL-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB Fc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1Cl 225833102 KOYNPKVXIBDTID-UHFFFAOYSA-N 397.262 4.669 0 40 GJAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccccc2)cc1 227146494 JAQYNJBOQPUOLC-UHFFFAOYSA-N 397.272 4.959 0 40 GJAB Cc1noc(C)c1-c1cc(C2CCN(C(=O)c3cccc(F)c3)CC2)ccn1 257245585 IQFPJWVJYURMDZ-UHFFFAOYSA-N 379.435 4.512 0 40 GJAB CCC(=O)NC(=S)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1OC 408628917 YCMXLSWNYYEWBI-UHFFFAOYSA-N 397.500 4.850 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)cc2)cc1 408698770 PJRPAETXNGVKHF-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB N=C1NC(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)S1 408881039 LVSJQKVUPDMIGR-AUWJEWJLSA-N 379.268 4.711 0 40 GJAB CO[C@@]1(COc2ccccc2F)CCCN(Cc2ccc3[nH]ccc3c2)CC1 585270089 DTXWDZPQVCBUKL-QHCPKHFHSA-N 382.479 4.757 0 40 GJAB O=c1cc(CSc2ncnc3sc4c(c23)CCCC4)c2ccccc2[nH]1 929244 PVQVQCBFAVXVES-UHFFFAOYSA-N 379.510 4.704 0 40 GJAB CCOc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OC4CCCC4)c3C)C2)cc1 1422019 QUGCFCBJNGKMKG-MRXNPFEDSA-N 381.472 4.734 0 40 GJAB C[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)N(C)c1ccccc1 2652600 FOHRFJIPXAZQJU-ZDUSSCGKSA-N 383.542 4.714 0 40 GJAB O=C(NC(NC(=O)c1cccc(Cl)c1)c1ccccc1)c1cccc(Cl)c1 3278358 JWJYRMHJOOROAQ-UHFFFAOYSA-N 399.277 4.852 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(SCCN)n2-c2ccc(Cl)cc2)cc1 3359357 RRPILWJCDQQVLA-UHFFFAOYSA-N 386.952 4.936 0 40 GJAB Cc1nnc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)s1 4059658 WRMYSPXRPJXJDV-UHFFFAOYSA-N 394.525 4.580 0 40 GJAB aggregator Cc1cccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)c1C 4986546 MOJSXTVNVZPNRY-UHFFFAOYSA-N 397.478 4.800 0 40 GJAB CCCCCOC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 5149586 BPHREVVITZWDTR-UHFFFAOYSA-N 392.434 4.642 0 40 GJAB COC(=O)c1ccc(COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)cc1 5859813 DBWSXFJXMXEEQZ-OAHLLOKOSA-N 389.451 4.503 0 40 GJAB C[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)NCc1ccco1 6114557 CFSJNLQKSVBHTM-ZDUSSCGKSA-N 395.509 4.748 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1ccccc1Cl 6243074 GIKWASVTSHFBSQ-CYBMUJFWSA-N 376.909 4.746 0 40 GJAB C[C@H](Sc1c(Cl)cccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 7187531 LKUZGQXVNRZILW-AWEZNQCLSA-N 395.355 4.823 0 40 GJAB c1ccc(-n2nnnc2Oc2c(CN3CCCCC3)ccc3ccccc23)cc1 7650745 ATKBNPPLROYYLL-UHFFFAOYSA-N 385.471 4.594 0 40 GJAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(N2CCCC2=O)c1 8136526 AALAPVFBHPDPRY-UHFFFAOYSA-N 382.769 4.738 0 40 GJAB CC(C)n1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccco1 8389061 VPOWDDHZLQXHQT-UHFFFAOYSA-N 394.859 4.642 0 40 GJAB CCN(CC)C(=O)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1 8390828 XCRZNMWKSBVSQB-UHFFFAOYSA-N 388.393 4.874 0 40 GJAB COc1ccc(C(=O)CN(C2=NCCCC2)c2cccc(C)c2C)cc1OC 8415081 PAAHRDMZQNKZDN-UHFFFAOYSA-N 380.488 4.592 0 40 GJAB CC(=O)c1ccc(NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 8726201 AZYMFZKWZGMTHF-UHFFFAOYSA-N 382.847 4.531 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 10303513 XCDKRWLYGFIIGT-WOJBJXKFSA-N 393.918 4.622 0 40 GJAB COc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1 10443058 WGKRHQOHWZEKPM-UHFFFAOYSA-N 392.455 4.826 0 40 GJAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(OC(F)(F)F)cc1 11178010 AXODRWUSGLJMED-UHFFFAOYSA-N 390.317 4.683 0 40 GJAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(C)cc2)OC3=O)c1 11666566 IVLSRTLQVRFJDQ-HSZRJFAPSA-N 399.446 4.904 0 40 GJAB Cc1noc(C)c1C(=O)Nc1ccc(CC[C@H]2CCN(C(C)C)C[C@@H]2C)cc1 12131780 QOUXTAVDFMTSHT-JXFKEZNVSA-N 383.536 4.843 0 40 GJAB COc1cccc2ccc(-c3nn4c(-c5ccccc5Cl)nnc4s3)nc12 12390225 DSEVYNSBKVRYOV-UHFFFAOYSA-N 393.859 4.730 0 40 GJAB O=C(Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1)c1ccncc1 12408148 ALRXNBFMQRRPLQ-UHFFFAOYSA-N 376.799 4.761 0 40 GJAB biogenic CCc1ccc(S(=O)(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1 12557053 SPUNRMWIQDUZQH-UHFFFAOYSA-N 386.561 4.814 0 40 GJAB Cc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2cccs2)cc1 12695910 FKSFOJNRGRQCDO-UHFFFAOYSA-N 377.556 4.552 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 12696375 ZREUTFRQWGQGFH-HZSPNIEDSA-N 390.578 4.612 0 40 GJAB CSc1ncc(C(=O)Nc2cc(Cl)ccc2F)n1-c1ccc(F)cc1 12754656 PBAZPIRIKSTVIK-UHFFFAOYSA-N 379.819 4.778 0 40 GJAB COCCn1c(SCc2cc(-c3ccccc3)on2)nnc1-c1ccccc1 14125593 RGCKYLBDKFAUAC-UHFFFAOYSA-N 392.484 4.539 0 40 GJAB CN(Cc1cccc(Cl)c1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14857133 BEWJWVILHLRFNA-UHFFFAOYSA-N 397.881 4.816 0 40 GJAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 15963609 QLPFIZKZADQWHY-UHFFFAOYSA-N 394.858 4.891 0 40 GJAB O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1ccc(Cl)cc1 16525179 BIKIGRVGHASWQK-MFOYZWKCSA-N 397.839 4.683 0 40 GJAB Cc1ccc(-c2ncc(CN(Cc3ccccc3)C3CCN(C)CC3)cn2)cc1 19715869 FGQXSOFPVULOCU-UHFFFAOYSA-N 386.543 4.548 0 40 GJAB FC(F)(F)c1cccc(CN2CCN(Cc3nc4ccccc4s3)CC2)c1 21583513 DMHXGVJLLYCIMX-UHFFFAOYSA-N 391.462 4.633 0 40 GJAB CCc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCCC3)c(O)n2n1 22853005 INFZZKISHSARFM-CQSZACIVSA-N 397.331 4.551 0 40 GJAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)s1)c1cc2ccccc2o1 23695208 SRJSMKJDVKYTQX-LBPRGKRZSA-N 380.425 4.831 0 40 GJAB Cc1cc2occ(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)c2cc1C(C)C 26455378 VYOPBVNELOFXPD-UHFFFAOYSA-N 390.483 4.938 0 40 GJAB O=C1CN(C(=O)c2cccc(F)c2)[C@@H](c2ccccc2)c2ccc(Cl)cc2N1 28048093 XPNPYVPVTLCQDU-NRFANRHFSA-N 394.833 4.663 0 40 GJAB CCC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1 29078176 HOCPIJGZCRXGNI-UHFFFAOYSA-N 390.414 4.658 0 40 GJAB Cc1ccc2c(Cl)c(C(=O)NCCc3nc(-c4ccccc4)no3)sc2c1 32593865 RZLYYABZEFKBQN-UHFFFAOYSA-N 397.887 4.886 0 40 GJAB Fc1ccc(-c2nnc(CN3CCC(c4c[nH]c5ccccc45)CC3)o2)cc1 32879758 QLXANWNGEUYJKD-UHFFFAOYSA-N 376.435 4.737 0 40 GJAB Cc1ccccc1NC(=O)CSc1ncnc2c(-c3cccs3)nsc12 35290350 QYQGNUNMHDXFPR-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 45890533 VWFGBTAPGFNVLE-UHFFFAOYSA-N 375.497 4.878 0 40 GJAB Clc1ccc(CN(Cc2ccccc2)Cc2nnnn2C2CCCC2)cc1 57614017 PWHQJHRDSNIRER-UHFFFAOYSA-N 381.911 4.644 0 40 GJAB COc1cccc(NC(=O)N2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)c1 60358474 NUPOBJCOLCJFOL-IBGZPJMESA-N 398.503 4.732 0 40 GJAB Cc1cccc(C[C@H](C)CC(=O)Nc2ccc(I)cc2)c1 71405974 LVSPGULOOACMJT-AWEZNQCLSA-N 393.268 4.807 0 40 GJAB CCN(Cc1ccccc1)C(=O)CSc1ncnc2c1[nH]c1ccc(C)cc12 72331958 DTMDCHFJDXJJTM-UHFFFAOYSA-N 390.512 4.560 0 40 GJAB CC(C)CNc1nc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cs1 72402328 FXGCKQQQHDNLMJ-UHFFFAOYSA-N 380.517 4.622 0 40 GJAB O=C(NCc1ccccc1)c1nnc(/C(Cl)=C\c2ccccc2Cl)s1 98005521 OKRNUZORNFXHGE-XNTDXEJSSA-N 390.295 4.858 0 40 GJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)o1 225334392 NFJFEDWNZOQGBO-RTWAWAEBSA-N 393.512 4.947 0 40 GJAB Cc1cc(S(=O)(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)ccc1F 225601360 ATGXNOOKESSADM-LJQANCHMSA-N 389.492 4.639 0 40 GJAB CCCCOc1ccc(C(=O)N2CCC(N3CCc4sccc4C3)CC2)cc1 225688851 OTGDYEJRUXVQFF-UHFFFAOYSA-N 398.572 4.590 0 40 GJAB CCOC(=O)c1cccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)c1C 225704443 OPGPWKQHSQNROG-HXUWFJFHSA-N 398.528 4.544 0 40 GJAB CCCCN(CCCC)S(=O)(=O)c1cc(C)c(C)cc1Br 231423952 DJCBRDBMBVACTL-UHFFFAOYSA-N 376.360 4.657 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 244417894 YRVRMMWJYUUOTR-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCCN1C(=O)Oc1ccccc1 409002743 POZOSDICJZDKTF-JOCHJYFZSA-N 386.451 4.956 0 40 GJAB CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OCC 409007997 UCUFYQZAXVQKOU-HKWRFOASSA-N 397.496 4.763 0 40 GJAB Cc1cc([C@H](NCc2nc(C3CC3)nn2C)c2ccccc2Cl)ccc1F 565950402 FICDIJZBPICEBK-FQEVSTJZSA-N 384.886 4.673 0 40 GJAB O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)c1cccnc1C1CC1 622552039 GVFLJHBUWNHPGL-OAHLLOKOSA-N 390.314 4.665 0 40 GJAB O=C(CCSc1ccccc1)NC[C@H](O)c1ccc(-c2ccsc2)s1 675008309 QGCVLFLBVKCPEJ-INIZCTEOSA-N 389.567 4.809 0 40 GJAB COc1ccc(-c2cc3ccccc3n2C[C@H](O)CNC2CCCCC2)cc1 938478 QOXASPJYNWOQJX-OAQYLSRUSA-N 378.516 4.600 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 996556 ZAYDPJWLFSASGJ-UHFFFAOYSA-N 386.407 4.842 0 40 GJAB COc1ccc(-c2nnc(N(CC(C)C)C(=O)c3cccc(F)c3)s2)cc1 1356539 PRPSGLSRVJMAFY-UHFFFAOYSA-N 385.464 4.656 0 40 GJAB C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1 1381375 XLTODNMXEQYVEI-INIZCTEOSA-N 397.519 4.717 0 40 GJAB CCOc1ccc(-c2c(C)sc(NC(=O)c3ccco3)c2C(=O)OC)cc1 1791013 MCACEBDNKLOHSE-UHFFFAOYSA-N 385.441 4.754 0 40 GJAB CCCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)n2)c(O)c2ccccc21 2285921 VJJPGIOGTCDITQ-UHFFFAOYSA-N 393.487 4.552 0 40 GJAB NC(=O)c1c(NC(=O)CCSc2ccc(Cl)cc2)sc2c1CCCC2 2625846 ZLIVXFPBEQAXEM-UHFFFAOYSA-N 394.949 4.500 0 40 GJAB CCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 2721753 HGQPOUVMUAYZQJ-UHFFFAOYSA-N 383.491 4.877 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2Cl)o1 2752191 MOBRPNZARRUHTB-UHFFFAOYSA-N 385.803 4.551 0 40 GJAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccccc1C 2889692 FTXOXMLKZGVISY-UHFFFAOYSA-N 381.453 4.771 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1ccc(Cl)cc1 3438945 LPOURIZKBMDJMN-UHFFFAOYSA-N 388.298 4.519 0 40 GJAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3ccccc3Cl)c2n1 3765477 RSGKPXRAZWSIMH-UHFFFAOYSA-N 377.875 4.890 0 40 GJAB Cc1ccc(CSC2=NCCN2C(=O)c2ccc(Br)cc2)cc1 4120381 BGCZTAAKIBHRQY-UHFFFAOYSA-N 389.318 4.503 0 40 GJAB Cc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2c1 5115023 DOVGGDQFZJUXDW-UHFFFAOYSA-N 389.524 4.966 0 40 GJAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)o2)sc2c1CC[C@@H](CC)C2 5235457 MFFMGZAQJIYVDS-CFRMROPGSA-N 387.501 4.993 0 40 GJAB COc1ccc(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)cc1 5483840 VRLKAIXCQBXVHC-UHFFFAOYSA-N 385.423 4.516 0 40 GJAB CCOc1c(Br)cc(C(=O)Nc2cc(F)ccc2C)cc1OC 5688180 SCDFJGCDARLWRB-UHFFFAOYSA-N 382.229 4.556 0 40 GJAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)OCCO2 5825525 NEIVYQFOFAHMBG-UHFFFAOYSA-N 389.782 4.500 0 40 GJAB O=Cc1cn(CC(=O)Nc2ccc(Br)c(Cl)c2)c2ccccc12 6045784 PXUQQCFMEDDAOY-UHFFFAOYSA-N 391.652 4.508 0 40 GJAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccnc1Cl 6047282 AJPNJJPHLGXGPB-UHFFFAOYSA-N 386.860 4.893 0 40 GJAB Cc1nc(SCC(=O)N(C)c2ccccc2)c2c3c(sc2n1)CCCC3 6113752 YYLAEZTXNNLMGV-UHFFFAOYSA-N 383.542 4.634 0 40 GJAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccccc2Cl)c1 6263846 SIYFGFYYRGXDNW-UHFFFAOYSA-N 381.259 4.750 0 40 GJAB Cn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccc(Cl)cc1 6810769 UOFBKVNTLPGRMO-UHFFFAOYSA-N 389.893 4.539 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1/C=C/c1cc(C(=O)O)c2ccccc2n1 6862339 ULLQYPXWMVJBQK-OUKQBFOZSA-N 383.451 4.965 0 40 GJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)c1ccc(F)c(F)c1 7763622 DMYJPICQMLLZJQ-JTQLQIEISA-N 391.468 4.983 0 40 GJAB CC(C)[C@@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1cccs1 7925051 NBPRBKWTGKGBKW-JOCHJYFZSA-N 393.508 4.871 0 40 GJAB O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7987753 GJCJPGSTFIJENE-LLVKDONJSA-N 398.962 4.580 0 40 GJAB O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCCc2ccccc21 8216699 XJQHQCJEJQVKIZ-UHFFFAOYSA-N 383.451 4.506 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C 8496087 SCLWNXQZCYAKFT-MRXNPFEDSA-N 382.504 4.530 0 40 GJAB O=c1[nH]c2ccccc2nc1[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 9087159 LGPZJVXBZCSADN-HXUWFJFHSA-N 384.464 4.681 0 40 GJAB C[C@@H]1C[C@H](Sc2nc(Nc3ccccc3Cl)c3ccccc3n2)C(=O)O1 9512734 VDSKOKBNHWFWDQ-BZNIZROVSA-N 385.876 4.823 0 40 GJAB Cc1ccc2nc(COc3cccc(C(=O)NC4CCCCCC4)c3)cn2c1 11610494 OCILRNKRBSNYLW-UHFFFAOYSA-N 377.488 4.674 0 40 GJAB CC(C)n1ncc2c(C(=O)N[C@H](C)c3ccncc3)cc(-c3ccccc3)nc21 12511520 LQRWVTCOXZENSA-MRXNPFEDSA-N 385.471 4.565 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 12753066 UMFWIHWJVCVCGU-OAHLLOKOSA-N 385.895 4.523 0 40 GJAB C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 13999672 IGKIXQPAOLDPRI-HJUDDPQBSA-N 388.442 4.969 0 40 GJAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(Br)o1 14785338 LUFJOIJTCCSMNS-UHFFFAOYSA-N 379.435 4.710 0 40 GJAB COc1cc(OC)c(-c2coc3cc4c(cc3c2=O)C=CC(C)(C)O4)cc1OC 15150825 KQWHMSRCYTXPHS-UHFFFAOYSA-N 394.423 4.670 0 40 GJAB biogenic COc1ccc(-c2nc(CNC(=O)Cc3cccc4ccccc34)cs2)cc1 15832702 DYKKTZQBNUZETG-UHFFFAOYSA-N 388.492 4.831 0 40 GJAB FC(F)(F)[C@@H]1CCCN(Cn2nc(C3CC3)n(-c3ccccc3)c2=S)C1 16354018 QIUVCUKIEKTGSS-CQSZACIVSA-N 382.455 4.512 0 40 GJAB Oc1ccc(O)c2c1[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 16969672 HGWPFZAIXJHLBN-AOOOYVTPSA-N 380.869 4.856 0 40 GJAB Cc1cc(C(=O)Nc2nc3c(C)cccc3s2)c2c(C)nn(C(C)C)c2n1 17077611 CHTJCDBVRRWKOZ-UHFFFAOYSA-N 379.489 4.799 0 40 GJAB Cc1ccc(SCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 20462017 LTSJPQAVDBMCCJ-UHFFFAOYSA-N 399.537 4.858 0 40 GJAB O=C(COc1ccc(F)cc1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 21944804 ODCNOUZLRUDWOQ-UHFFFAOYSA-N 387.414 4.696 0 40 GJAB COc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)cc1Cc1ccccc1 24050747 INQHZOKMJNDNFQ-UHFFFAOYSA-N 383.451 4.724 0 40 GJAB Cc1nc2cc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)ccc2o1 24683954 XZSCCVTUTROQQS-UHFFFAOYSA-N 378.407 4.837 0 40 GJAB COc1ccc(CC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 32623042 KVXURVXWWIVUNB-UHFFFAOYSA-N 399.450 4.902 0 40 GJAB CCCOc1ccc(N[C@H](C)C(=O)Nc2ccc(OC)cc2)cc1OCCC 32810873 CIKFORAJXURXFN-MRXNPFEDSA-N 386.492 4.712 0 40 GJAB COc1ccccc1NC1=NC(=O)/C(=C\c2ccc(Br)cc2)S1 35647552 IQPXTCQOTDGHMX-XNTDXEJSSA-N 389.274 4.540 0 40 GJAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@@H]2C(=O)N(C)c1ccccc1 36576012 PQIMHSDNQHSYKN-QGZVFWFLSA-N 394.862 4.708 0 40 GJAB COc1ccc(OC)c(NC(=O)c2csc(Nc3cccc(Cl)c3)n2)c1 36704627 XJHSCSKPDUZBIA-UHFFFAOYSA-N 389.864 4.810 0 40 GJAB COc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1OCc1ccncc1 36761065 VSDHZEWCOZARFT-UHFFFAOYSA-N 396.874 4.894 0 40 GJAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(Br)c1 40942864 XIHRTYZBRPPXRX-CQSZACIVSA-N 376.294 4.829 0 40 GJAB CCCNC(=O)c1cccc(CNCc2c(OC(F)F)ccc3ccccc23)c1 47794189 MHACDIHIYOADLO-UHFFFAOYSA-N 398.453 4.871 0 40 GJAB CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1OCC 50547888 LCUCMTNLGNTNNL-PDGQHHTCSA-N 384.457 4.578 0 40 GJAB COc1cc(NC(=O)[C@@H](C)N[C@H](C)c2cccc3ccccc23)cc(OC)c1 57380655 COHVSFXWVGRESB-HZPDHXFCSA-N 378.472 4.535 0 40 GJAB Cc1cc(=O)n(CC(=O)Nc2ccc(C(C)C)cc2)c(-c2cccc(Cl)c2)n1 57526771 PCGGDFKMOSGCEK-UHFFFAOYSA-N 395.890 4.634 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2Nc2ccccc2)cc1 72214147 ISURTZGROUWSRT-OAQYLSRUSA-N 393.512 4.659 0 40 GJAB Cc1ccc(OCc2cccc(C(=O)Nc3ccc(F)cc3NC3CC3)c2)cn1 84191267 PRWDZAVADCMHGZ-UHFFFAOYSA-N 391.446 4.935 0 40 GJAB Cc1ccccc1CN1CCC(NC(=O)CCc2ccc3ccccc3c2)CC1 84243894 MXOWGHZZOMEKAO-UHFFFAOYSA-N 386.539 4.862 0 40 GJAB Cc1ccccc1NC(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1C)C2 100426136 IQQLQBBPZAWMGH-PMACEKPBSA-N 391.515 4.651 0 40 GJAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2C(N)=O)C1 102173078 NEEWECOJLDTDDK-IXYNUQLISA-N 388.577 4.763 0 40 GJAB COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)ccc1OC(C)C 211504180 OXIAEBPGAZFOCG-WQRHYEAKSA-N 385.441 4.841 0 40 GJAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(-c2ccccc2)s1 222802435 IWXMWDXGDHHLDG-CQSZACIVSA-N 375.453 4.764 0 40 GJAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1cccc(OC(C)C)c1 222967163 UHWXHODOGQMHBT-JOCHJYFZSA-N 383.532 4.997 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224183932 SYYDPPBCATXILN-HXUWFJFHSA-N 375.896 4.563 0 40 GJAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224661112 ORHURXJKTHYYSI-FQEVSTJZSA-N 394.559 4.686 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NC1CCCCC1 225274615 ALIZNFGYTXCXCX-SFHVURJKSA-N 399.362 4.960 0 40 GJAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccccc2Br)cc1N 226266162 YYBGHSKGDXJCOD-ZDUSSCGKSA-N 388.309 4.662 0 40 GJAB CC(=O)NC[C@H]1CC[C@H](c2c(C(=O)N3CCCC3)sc3ccccc32)CC1 257333889 YDNPWWPMFNJZTI-QAQDUYKDSA-N 384.545 4.547 0 40 GJAB COc1ccc(-c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)nn2)cc1OC 408529379 HCHQMTVJMUXQFK-UHFFFAOYSA-N 392.455 4.678 0 40 GJAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 408628960 YQWDDZFCSRCKPS-UHFFFAOYSA-N 387.936 4.629 0 40 GJAB COCCn1c(SCc2cccc(F)c2)nnc1-c1ccc(Cl)cc1 409097136 NBOXHBGZSNVIEH-UHFFFAOYSA-N 377.872 4.676 0 40 GJAB Cc1ccccc1CSCC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 409126523 BXWBMYQRQVJAOK-UHFFFAOYSA-N 388.964 4.539 0 40 GJAB O=C(C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 524039060 YGIGRMNDSGNOTE-OAQYLSRUSA-N 375.855 4.697 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)Cc1ncccc1Cl 528431014 PKSATFQPQJPWJK-UHFFFAOYSA-N 377.275 4.849 0 40 GJAB FC(F)(F)c1ccc(-c2nc(CN3CC[C@]4(CCCOC4)C3)cs2)cc1 585081319 BWZZNFPTNRFXMS-GOSISDBHSA-N 382.451 4.831 0 40 GJAB CCOc1ccc(Oc2ccc(NC(=O)N3C[C@H]4CC[C@H]3[C@H](CO)C4)cc2)cc1 665203204 AASOEUZZWCJWFQ-HOIFWPIMSA-N 396.487 4.502 0 40 GJAB COc1ccc(-c2cc3ccc(OC(=O)c4cccs4)cc3oc2=O)cc1 1317653 IXXRIJAZEFXWGK-UHFFFAOYSA-N 378.405 4.749 0 40 GJAB biogenic CCOc1ccccc1NC(=O)c1sc2nc3ccc(C)cc3cc2c1N 1342739 XDVIMHCMLGGIRE-UHFFFAOYSA-N 377.469 4.991 0 40 GJAB CCOc1ccc(Cc2onc3c2C(=O)C[C@H](c2ccccc2)C3)cc1OCC 1421810 QRGJQOZDMWXVAZ-GOSISDBHSA-N 391.467 4.976 0 40 GJAB CCCCc1nnc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)s1 1903876 NPIUCXKZLAQGKL-UHFFFAOYSA-N 375.538 4.976 0 40 GJAB CCCCc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)n2)cc1 2091478 VVSCFBOIOAMXIH-IAGOWNOFSA-N 384.501 4.758 0 40 GJAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)sc2c1 2235832 KNOPALXGPHYTQC-UHFFFAOYSA-N 399.541 4.992 0 40 GJAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccccc4)n3C)c[nH]c12 2645222 PQPONTXOOLCZFF-UHFFFAOYSA-N 376.485 4.501 0 40 GJAB Cc1cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2n1 3358926 JJJMWTWILGTPDF-UHFFFAOYSA-N 379.803 4.604 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(S[C@H]3CCOC3=O)n2C2CCCC2)cc1 3481127 GVVWHOYMKXDSAP-KRWDZBQOSA-N 385.533 4.765 0 40 GJAB Cc1cccc2sc(N(CCCN(C)C)C(=O)c3ccccc3Cl)nc12 4359670 UDEWXMSPXVFHOU-UHFFFAOYSA-N 387.936 4.857 0 40 GJAB O=C1N/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1Cc1ccccc1F 4470636 CYGVVHRMNYYVFR-WOJGMQOQSA-N 396.805 4.832 0 40 GJAB CC(C)(C)c1ccc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc1 4664903 ZFEDVUFWYIOHBD-UHFFFAOYSA-N 392.484 4.589 0 40 GJAB Cc1nnc(SCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)s1 5054030 KXXDXAFRDPPSRP-UHFFFAOYSA-N 389.521 4.622 0 40 GJAB Cc1cc(C)c(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)c(C)c1 5304476 IHCRKTQLLZSRQV-UHFFFAOYSA-N 397.478 4.622 0 40 GJAB CCOCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 5304882 OOFKUCXWKQGPBD-UHFFFAOYSA-N 384.549 4.765 0 40 GJAB CCOc1nc(-c2ccccc2)c(S(=O)(=O)c2ccc(Cl)cc2)s1 5875012 GQVYNAFCFGUUPD-UHFFFAOYSA-N 379.890 4.695 0 40 GJAB O=C1OC(c2ccccc2F)=N/C1=C\c1csc(-c2ccc(Cl)cc2)n1 5938410 LHFXZAFPEGWDEJ-SXGWCWSVSA-N 384.819 4.947 0 40 GJAB C[C@H](c1ccccc1)n1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O 6079082 YDAGQJLCJAXLMG-OAHLLOKOSA-N 380.513 4.713 0 40 GJAB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)NCCc1ccccc1 6495885 SCVHIXRBQHQXBZ-HAVVHWLPSA-N 382.463 4.531 0 40 GJAB CC(=O)Nc1ccc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 6841025 SUHAMWMJXGAWFE-UHFFFAOYSA-N 388.798 4.687 0 40 GJAB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1CCc1ccc(F)cc1 7288972 JDUKLZCUMYQTGT-UHFFFAOYSA-N 399.491 4.722 0 40 GJAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccc(Oc2ccccc2)c1 7490508 HOUUETAYLIRTKF-UHFFFAOYSA-N 386.451 4.536 0 40 GJAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 8122668 NMCLAQFMIUCNRY-UHFFFAOYSA-N 399.853 4.558 0 40 GJAB CCn1c(S[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)nc2ccccc21 8132703 KPOXBHOOESFHSK-SJORKVTESA-N 381.545 4.674 0 40 GJAB Cc1sc2nc(-c3cccs3)nc(Oc3ccc(C(N)=O)cc3)c2c1C 9594066 LVYMINJSLBQGDS-UHFFFAOYSA-N 381.482 4.928 0 40 GJAB CCOc1ccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)cc1 11246786 XZVYHVODWFDJQV-UHFFFAOYSA-N 391.402 4.988 0 40 GJAB O=C(CSc1ncc(-c2ccccc2)n1C1CC1)c1ccc2c(c1)OCO2 11263896 YDRHSDHTHAKZFR-UHFFFAOYSA-N 378.453 4.589 0 40 GJAB Cc1cccn2cc(CSc3nnc(COc4ccc(Cl)cc4)o3)nc12 12249654 ZJWGKMWOCRNVMZ-UHFFFAOYSA-N 386.864 4.550 0 40 GJAB Cc1ccc2[nH]c(SCC(=O)c3cc(C)n(CC(F)(F)F)c3C)nc2c1 12546330 CDPJABBZURTYFA-UHFFFAOYSA-N 381.423 4.827 0 40 GJAB Cc1ccc(C(C)C)cc1OCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 12550138 KQYMFTNNRUMXTE-SFHVURJKSA-N 377.488 4.560 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1cccc2ccccc12 12592019 KDKOTBOCQSXWOR-AGHHOFFYSA-N 382.500 4.930 0 40 GJAB CCC[C@H](C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccccc1 12975578 FKNMFPVHZUQTFR-UNMCSNQZSA-N 392.543 4.675 0 40 GJAB COc1ccc2c(ccn2CCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 13690072 DCSPEUAQRBSSPN-UHFFFAOYSA-N 378.350 4.577 0 40 GJAB CCOc1cc(C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC 14427472 YIVKAYBQCJPAOV-UHFFFAOYSA-N 384.657 4.762 0 40 GJAB Cc1cc(C(=O)CSc2nnc(NCCc3cccs3)s2)c(C)s1 14703896 HHDRGGCMFCIIBD-UHFFFAOYSA-N 395.600 4.908 0 40 GJAB c1ccc(C2=N[C@H](N3CCCCC3)[C@@H](N3CCCCC3)N2c2ccccc2)cc1 19319107 PBHACELTUMHJRL-RPBOFIJWSA-N 388.559 4.577 0 40 GJAB O=C(/C=C\c1ccc2c(c1)OCO2)OCc1cc(-c2cc3ccccc3o2)on1 22769001 RCENCAGPYNVLQU-VURMDHGXSA-N 389.363 4.573 0 40 GJAB C[C@H](NCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)c1ccco1 24985053 QRHDYFKUAHGKTE-QFBILLFUSA-N 378.497 4.810 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OCC 30870462 XZNGSVBDOHKLTM-GJZGRUSLSA-N 391.895 4.782 0 40 GJAB Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)s3)ns2)cc1 32593793 ZOBPQDJQGUWLPR-UHFFFAOYSA-N 380.292 4.590 0 40 GJAB COc1cc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc(OC)c1 32905363 HFLQLNWYUDXKJG-UHFFFAOYSA-N 395.842 4.841 0 40 GJAB C[C@H](NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)c1cccnc1 32928344 IZFYQIDATNYXDA-ZDUSSCGKSA-N 398.260 4.522 0 40 GJAB CCCOc1ccc(NC(=O)c2cc(=O)c3cccc(C)c3o2)c2cccnc12 35671042 UZFWGCIKBASISF-UHFFFAOYSA-N 388.423 4.691 0 40 GJAB O=C(/C=C/c1ccccc1Cl)N1CCC(Cn2cnc3ccccc32)CC1 36708696 ILZRXFGJIPARRS-MDZDMXLPSA-N 379.891 4.642 0 40 GJAB O=C(NCC1CCN(Cc2cccs2)CC1)Nc1cccc(C(F)(F)F)c1 38489622 IJXXGKADTNXGSG-UHFFFAOYSA-N 397.466 4.801 0 40 GJAB CCOc1ccc(CCC(=O)NCCCc2ccccc2Cl)cc1OCC 38753220 MVBYQCTVHAJEMI-UHFFFAOYSA-N 389.923 4.819 0 40 GJAB Cc1c(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cnn1-c1ccccc1F 40056882 GGCBEJFZACPTOT-HNNXBMFYSA-N 377.419 4.899 0 40 GJAB Cc1noc(C)c1CNc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C 42740643 UWDPXWWERQDNMU-STQMWFEESA-N 375.900 4.960 0 40 GJAB Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccc(F)cc2)cc1 44087101 UTJAJPVAUJEGOI-UHFFFAOYSA-N 383.492 4.604 0 40 GJAB CCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H](C)C4)cc3)cc2c1 57712661 WVVRJKUDZHFHTM-QGZVFWFLSA-N 375.516 4.939 0 40 GJAB Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)c2ccnc(Cl)c2)n1 58981294 HEMNRLHOKUDFIJ-UHFFFAOYSA-N 394.784 4.809 0 40 GJAB CSc1ccc(C(=O)Nc2nc(-c3ccccc3OC(F)F)cs2)cn1 68014095 OJTABBBFMJYLKO-UHFFFAOYSA-N 393.440 4.781 0 40 GJAB O=C(NNc1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502091 OGHJRAHWHRPKDN-ZIAGYGMSSA-N 399.210 4.715 0 40 GJAB C[C@H](CCc1ccco1)Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl 84638204 PKBRMXRALHEBCM-GFCCVEGCSA-N 378.259 4.566 0 40 GJAB C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 95423952 RDVNNIJXAPFBKT-MHECFPHRSA-N 391.486 4.976 0 40 GJAB CCc1sc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4=C(C)C)[C@H]3C2=O)nc1-c1ccccc1 102626109 SJECLOIEXPEKND-STEAMIEHSA-N 392.524 4.854 0 40 GJAB O=C(/C=C/c1ccccc1Cl)NCc1ccc([C@@H](O)c2ccsc2)s1 207966012 HPRDAJAMFFIQRJ-MEQKGCOVSA-N 389.929 4.874 0 40 GJAB O=C(c1ccc(Br)cc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 211078658 BHHVEVFGILIEFT-MRXNPFEDSA-N 376.269 4.998 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c(C)c1 219041768 UEZAVQJIJURBQK-MRXNPFEDSA-N 377.440 4.731 0 40 GJAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC 223478924 BUULOXWTZASTTH-JOCHJYFZSA-N 384.495 4.612 0 40 GJAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccc(Cl)cc2)cc1 224624008 FAEVMXLPSKGXGN-FQEVSTJZSA-N 375.896 4.645 0 40 GJAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1CSc1ccc(C)cc1 224660604 UGTUQHHDJCEWMG-IBGZPJMESA-N 385.529 4.595 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3C)cc2)cc1 225056294 DKACJHAVWYEWJR-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB CCOCCCNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225191458 CKQFZKPOCWUFMQ-UHFFFAOYSA-N 381.954 4.599 0 40 GJAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(OC)c(Cl)c3)o2)c(N)c1 226348740 RRBWCPPAOGXPOT-UHFFFAOYSA-N 386.835 4.842 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1OCC 409008957 ASXIGSPZKLEHTP-HGLKBHAMSA-N 383.897 4.972 0 40 GJAB O=C1N/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1c1ccccc1 409009617 GXTLZLORRKMTGH-KGENOOAVSA-N 388.398 4.502 0 40 GJAB O=C(O)[C@@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 1535647248 GZNUBPKODNRXPQ-MCFFVMPBSA-N 391.467 4.511 0 40 GJAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccccc1 650613 BGMUSXXCUJHTIO-UHFFFAOYSA-N 387.892 4.505 0 40 GJAB Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)ccc12 846903 FRECHKISTLIPPC-LBPRGKRZSA-N 391.345 4.526 0 40 GJAB COc1cccc(C(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)c1 903234 JUAXOBJIXRXOGP-UHFFFAOYSA-N 391.496 4.791 0 40 GJAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1F 2438459 GNRXKYLFQHFPRU-UHFFFAOYSA-N 398.507 4.958 0 40 GJAB FC(F)(F)c1cc(-c2ccco2)nc(-n2nc(C3CC3)cc2C(F)(F)F)n1 2803269 MRQFOFQZHJNBAL-UHFFFAOYSA-N 388.271 4.837 0 40 GJAB Brc1ccc(C2=Nc3ccccc3C(c3cccs3)=NN2)cc1 4168561 WRZBWYVTZRIGMA-UHFFFAOYSA-N 382.286 4.945 0 40 GJAB COc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@H](c3ccco3)C2)cc1 4306657 GUVSIKWYLQVNKN-IBGZPJMESA-N 380.831 4.933 0 40 GJAB C[C@H](NC(=O)C(O)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4812329 DYMJFXXSSDSATL-VEDPWSRISA-N 389.539 4.644 0 40 GJAB Cc1cc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)ccc1C(C)C 5258078 ROHJKXRUWFYNNN-HSZRJFAPSA-N 381.560 4.813 0 40 GJAB O=C(O)c1c(C[C@H](Cc2ccc3c(c2)CCCC3)C(=O)O)ccc2c1CCCC2 6513394 AARDSHRCKCKLNM-NRFANRHFSA-N 392.495 4.628 0 40 GJAB Cc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C(C)C)cc1C 6786192 XSLCBXQNLUIMSK-INIZCTEOSA-N 380.513 4.958 0 40 GJAB CN(C)C(=O)[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 7074039 BEILGXRUNPEQQQ-OAHLLOKOSA-N 391.418 4.570 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)s1 7392812 NMGXMGUXSSDDKM-UHFFFAOYSA-N 395.303 4.844 0 40 GJAB CCOc1ccc(-c2ccc3nnc(SCc4cccc(F)c4)n3n2)cc1 7509924 FSIJGAPKLUUIAI-UHFFFAOYSA-N 380.448 4.621 0 40 GJAB CC(C)n1ncc2cc(NC(=O)COc3ccccc3-c3ccccc3)cnc21 8192306 MENGJNDIMBJRKG-UHFFFAOYSA-N 386.455 4.697 0 40 GJAB CCc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)cnn1-c1ccccn1 8715254 VKJNGXIHNTWGNT-UHFFFAOYSA-N 384.439 4.874 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 8790898 ITTLILLDEFPZFH-UHFFFAOYSA-N 380.256 4.529 0 40 GJAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(NC(=O)C2CC2)cc1 10321796 OAUQVDQQHBXSAQ-UHFFFAOYSA-N 396.450 4.602 0 40 GJAB CC(C)c1ccccc1NC(=O)CN(C)Cc1ccccc1N1CCCCC1 12562983 PIQLYXPBMGFSNO-UHFFFAOYSA-N 379.548 4.871 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c(OC)c1 12602529 AMFKEGAYYLKWTN-UHFFFAOYSA-N 385.423 4.566 0 40 GJAB COc1ccc(-c2nc(CSCC(=O)Nc3ccc(F)c(F)c3)co2)cc1 12928198 SGJLUGYYDMWGTQ-UHFFFAOYSA-N 390.411 4.500 0 40 GJAB Cc1c(C(=O)O)sc2[nH]c(=O)cc(CSc3ccc(F)c(Cl)c3)c12 12978210 YYWJWXPIPRMIDV-UHFFFAOYSA-N 383.853 4.681 0 40 GJAB Oc1cc(COc2ccc(Cl)cc2Cl)nn1-c1nc2ccccc2o1 14607856 YFSLBCOBCCAESA-UHFFFAOYSA-N 376.199 4.605 0 40 GJAB CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC 15010873 QFGNKQKGNAOOPZ-BOPFTXTBSA-N 389.860 4.988 0 40 GJAB COc1ccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC 20034956 REXVTFMFTJJOKZ-UHFFFAOYSA-N 393.508 4.926 0 40 GJAB CCc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20143913 RDWWOLDDQTVAGK-UHFFFAOYSA-N 385.847 4.672 0 40 GJAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 20144119 GRGUCFCAYHPRDH-UHFFFAOYSA-N 379.456 4.888 0 40 GJAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-n2cccn2)cc1 21796471 SMHYXQDGCSOUMG-UHFFFAOYSA-N 379.423 4.668 0 40 GJAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2cccc(C)c2)cc1 22535192 SCASFHDEANLELE-INIZCTEOSA-N 375.559 4.534 0 40 GJAB Cc1noc(CSc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)n1 29566452 OXYNDXMWGPYIMH-UHFFFAOYSA-N 377.828 4.715 0 40 GJAB CCOc1ccc(-c2nc(CS[C@H](C)C(=O)NC(C)(C)C)cs2)cc1 31412672 WQHMEGXRNFPVJZ-CYBMUJFWSA-N 378.563 4.745 0 40 GJAB Cc1cc(C)c(N[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1 36635852 CKYWYNSJQBJBRR-AWEZNQCLSA-N 377.271 4.663 0 40 GJAB C[C@H](NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1)[C@H]1CCCO1 36758244 WYVPAHPKCOCIIY-MAUKXSAKSA-N 378.497 4.774 0 40 GJAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38849386 YNXDFTIXKWBIHV-HNNXBMFYSA-N 393.314 4.853 0 40 GJAB CCn1cc(C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)c2ccccc21 40049277 WFHUGVMHYAPDRQ-IBGZPJMESA-N 378.472 4.656 0 40 GJAB Cc1nc(C2(NC(=O)c3ccc(-c4ccccc4)cc3F)CCCCC2)no1 40132311 JDNBVCXTCDYZII-UHFFFAOYSA-N 379.435 4.774 0 40 GJAB Cn1cccc1[C@H]1CCCN1Cc1cc(Cl)ccc1OCc1cccnc1 71816975 HRYRWWJFGBLQSP-OAQYLSRUSA-N 381.907 4.990 0 40 GJAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)c1 72380328 HGWWMZKWOJBPBK-HXUWFJFHSA-N 395.890 4.645 0 40 GJAB O=C(c1csc(-c2ccsc2)n1)N(Cc1ncc[nH]1)c1cccc(F)c1 78996353 MIHRPCDBGKPBCP-UHFFFAOYSA-N 384.461 4.581 0 40 GJAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1 84686986 KASVQNJSKACMET-LRDDRELGSA-N 386.904 4.687 0 40 GJAB Cc1ccccc1-c1cnc(NC(=O)Cc2csc(-c3cccnc3)n2)s1 95963518 MKJKPJJGVOFZDP-UHFFFAOYSA-N 392.509 4.818 0 40 GJAB O=C(Nc1ccc(F)cc1)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 96037983 FEZYRKUWQBBACZ-UHFFFAOYSA-N 397.413 4.578 0 40 GJAB Fc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3Cl)C4)n2)cc1 97086760 QNEVQFWLELGOER-QGZVFWFLSA-N 396.809 4.664 0 40 GJAB COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@H](c3cccs3)CC(O)=C21 102754476 CCSNQPQREKKEIN-BBATYDOGSA-N 394.456 4.769 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)CCc1ccc(Cl)cc1Cl 115968127 SIRSMHUYCHKOSH-UHFFFAOYSA-N 388.298 4.737 0 40 GJAB O=C(Cc1ccccc1Cl)N1CCS[C@H](c2cc(F)ccc2F)CC1 219321397 RQNSTRWUIVZNAT-SFHVURJKSA-N 381.875 4.868 0 40 GJAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)c1ccccc1 219560859 PKYKAZOZSCTRBK-FQEVSTJZSA-N 389.451 4.722 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)ccc1Cl 222852259 FMCUFABPAYYQNZ-QGZVFWFLSA-N 389.923 4.952 0 40 GJAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224390691 WYYIJOOHCBIOOB-UXHICEINSA-N 380.492 4.780 0 40 GJAB Cc1ccccc1CSCC(=O)NCc1ccccc1CN1CCCCC1 224806499 XNZULDXLJWUXTH-UHFFFAOYSA-N 382.573 4.531 0 40 GJAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)NC1CCCCCC1 224874459 BYSJDVOSKOSIAA-UHFFFAOYSA-N 391.309 4.876 0 40 GJAB CCOc1ccc(C(=O)N(CC)Cc2nc(-c3cccs3)no2)cc1Cl 225107618 JSPNKLCKTNQFRD-UHFFFAOYSA-N 391.880 4.513 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)c(C)c1 225489658 DEOFJVYFBCKVJW-GOSISDBHSA-N 386.517 4.618 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 225555915 GUKVMOLDJCRWQT-NZQKXSOJSA-N 394.559 4.568 0 40 GJAB COc1cc(C)c(C(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1C(C)C 225668193 MSNUDQXHNIQYRP-SFHVURJKSA-N 380.532 4.698 0 40 GJAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cc(Cl)ccc1Cl 225799699 NIJRJQLFQGRAIN-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cccc3ccccc23)S1 408799314 KGHYKQNXKDONKO-UHFFFAOYSA-N 375.473 4.920 0 40 GJAB Cc1cc(F)ccc1C1CCN(C(=O)Nc2ccc3ccnc(O)c3c2)CC1 568504023 RWKXZHYFPAZVAE-UHFFFAOYSA-N 379.435 4.799 0 40 GJAB CCCCn1c2ccccc2n2c(SCc3nc4ccccc4[nH]3)nnc12 575410965 UZKZASDFRKWXDI-UHFFFAOYSA-N 376.489 4.653 0 40 GJAB Cc1cccc(N2C(=O)N(CC3CCCCC3)c3ccccc3S2(=O)=O)c1 1889108578 VZAQEYYUHUVZTH-UHFFFAOYSA-N 384.501 4.711 0 40 GJAB O=C(COC(=O)c1cccc(N2Cc3ccccc3C2)c1)c1ccc(Cl)cc1 712835 OEJYVHLRHNIZHL-UHFFFAOYSA-N 391.854 4.900 0 40 GJAB Cc1cccc(-c2cc3nccc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)n3n2)c1 1238257 JJJMPIXDJOTRQU-GOSISDBHSA-N 392.503 4.819 0 40 GJAB Cc1ccc2nc(S[C@H](Cc3cc(Cl)ccc3Cl)C(=O)O)[nH]c2c1 1453214 GPIXLZMBKNGRSR-OAHLLOKOSA-N 381.284 4.966 0 40 GJAB ClC(Cl)(Cl)SN1CCN(SC(Cl)(Cl)Cl)CC1 1671461 HCMHPTSBBYVGMN-UHFFFAOYSA-N 384.996 4.556 0 40 GJAB O=C(c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O)C(F)(F)F 2028063 NALNUYZUQPRIIM-UHFFFAOYSA-N 396.162 4.703 0 40 GJAB CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2ccc(F)cc2)o1 2351666 YSTBXDOAPNOQDL-UHFFFAOYSA-N 395.500 4.739 0 40 GJAB COC(=O)CCCCCCCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 2383542 MXDFBAWVMAIEMI-UHFFFAOYSA-N 386.370 4.691 0 40 GJAB O=C(NCCc1csc(-c2ccccc2)n1)c1ccccc1Br 4166959 MOXQAUGRFVIJKN-UHFFFAOYSA-N 387.302 4.545 0 40 GJAB CC(C)OC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCCC2 4628680 DQLMUSMXKADYPB-LZWOXQAQSA-N 375.534 4.957 0 40 GJAB O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1nc(-c2ccccc2)cs1 4863471 KUZFBLLKVBDALR-UHFFFAOYSA-N 392.509 4.931 0 40 GJAB CCc1ccccc1NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 4966468 BQLXBUJJIOABAL-UHFFFAOYSA-N 379.529 4.677 0 40 GJAB CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 5249618 JHAVFEXJDCSZAO-HNNXBMFYSA-N 388.471 4.728 0 40 GJAB CC(=O)c1ccc(OCCCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 5443929 UDZNSNIQNANZCK-OQOKOFKUSA-N 383.532 4.769 0 40 GJAB CCOc1ccc2nc(SCc3cc(Cl)cc4c3OCOC4)[nH]c2c1 5691291 CWURSULFHYPXJI-UHFFFAOYSA-N 376.865 4.774 0 40 GJAB CCCCC(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 5946075 PFLYEBXBVUDYKK-UHFFFAOYSA-N 399.541 4.981 0 40 GJAB CCCCN1C(=O)S[C@H](Cc2ccccc2OCc2ccc(F)cc2)C1=O 6647761 UCRPJQXZNQHBAG-LJQANCHMSA-N 387.476 4.811 0 40 GJAB Cn1c(SCCSc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 6939732 CCKHZKIQRUMALN-UHFFFAOYSA-N 385.436 4.978 0 40 GJAB CCOC(=O)c1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1Cl 6956132 AORXVXAMOPBZDW-UHFFFAOYSA-N 384.284 4.901 0 40 GJAB Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1C1CC1 7617575 MAOCCWJIXIGGFH-CQSZACIVSA-N 378.501 4.708 0 40 GJAB CCc1nc2ccccc2n1CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 8013546 YYJFTDQQGAGVJR-OAQYLSRUSA-N 391.515 4.751 0 40 GJAB COc1ccc(OC)c(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c1 8042071 ZAFYSHWMWCFXMJ-UHFFFAOYSA-N 380.469 4.843 0 40 GJAB CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1 8327030 YUPJFZYTJHUIFS-QGZVFWFLSA-N 398.330 4.832 0 40 GJAB C[C@H]1Sc2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)cc2NC1=O 11452242 MPMJJWMSNUFKST-MRXNPFEDSA-N 394.540 4.604 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)C(C)(C)C)cc2)on1 12159077 XHZUNCBKIMVCRD-UHFFFAOYSA-N 392.503 4.893 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 12515412 BWTSSRVGYMCFPG-CYBMUJFWSA-N 385.464 4.564 0 40 GJAB O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)c2)N1c1ccc(F)cc1 12568099 PCDNEORRKBKAQG-JOCHJYFZSA-N 384.414 4.783 0 40 GJAB CCCCc1noc(CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)n1 12875812 RRFRNMGYXIABGF-UHFFFAOYSA-N 392.912 4.649 0 40 GJAB COc1ccc(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)c(OC)c1 12996449 ROOQXIUQPHHEOI-UHFFFAOYSA-N 377.440 4.556 0 40 GJAB Fc1ccccc1CN(Cc1cccnc1)Cc1cc2c(cc1Cl)OCO2 13569005 LVPSMVZEBSUSGN-UHFFFAOYSA-N 384.838 4.805 0 40 GJAB C[C@@H](O)CN(Cc1cccc(-c2cccc(F)c2)c1)Cc1ccc2c(c1)OCO2 13991943 IZIWBPAAHSPDMZ-QGZVFWFLSA-N 393.458 4.604 0 40 GJAB Cc1cccc(OCCNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 15021330 OENYGAZSKWZREC-UHFFFAOYSA-N 388.826 4.560 0 40 GJAB O=C(Nc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1)c1cccnc1 17077083 STPGJJDWONXXMA-UHFFFAOYSA-N 376.803 4.704 0 40 GJAB CC(C)c1cc(C(=O)OCc2cc(-c3ccco3)on2)c2cnn(C(C)C)c2n1 19131823 PUVBLZLCPQEBHA-UHFFFAOYSA-N 394.431 4.741 0 40 GJAB CCOC1CCN(C(=O)CCn2c(C3CCCCC3)nc3ccccc32)CC1 19714857 GGOHAVBRHCJVEA-UHFFFAOYSA-N 383.536 4.502 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCc2ccccc21 20491413 YSHXYRBKFVZEIL-XMMPIXPASA-N 388.511 4.566 0 40 GJAB Cc1csc(S[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)n1 21465323 VSTXVKPFRKSOHU-VIFPVBQESA-N 397.497 4.973 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)[C@H](C)c1ccc(F)cc1 21836991 MWMWKIXQGSJYLM-OAHLLOKOSA-N 385.870 4.866 0 40 GJAB CCOc1cc2ccccc2cc1C(=O)Nc1cccc(C(=O)N(CC)CC)c1 22356748 IEQVUWFHXRQKEU-UHFFFAOYSA-N 390.483 4.973 0 40 GJAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCc1ccco1 24504648 AEHCYMRLNKRSFY-QGZVFWFLSA-N 376.456 4.684 0 40 GJAB O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 32622518 MIEOJDMPSCLCEW-UHFFFAOYSA-N 389.386 4.560 0 40 GJAB Cc1noc(CSc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)n1 32901998 WWDQEGLGSHAEBW-UHFFFAOYSA-N 377.828 4.715 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)c(Cl)c1 38757308 ZBIVIJKFHCJHCS-LBPRGKRZSA-N 393.892 4.645 0 40 GJAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(COc2ccccc2)o1 39994033 KPKFMTHNIHVIPY-UHFFFAOYSA-N 399.450 4.785 0 40 GJAB Cc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)cc1 40051167 QWEPRKULYNNPFO-HNNXBMFYSA-N 392.455 4.825 0 40 GJAB Cc1c(C)n(Cc2ccncc2)c2nc3c(c(N)c12)C[C@H](c1ccccc1)CC3 40287245 CEDPDPBKJUAAJI-HXUWFJFHSA-N 382.511 4.951 0 40 GJAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 44900726 KIZMYDALCHGELF-FQEVSTJZSA-N 385.504 4.573 0 40 GJAB CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccsc1 48309510 GPESYCSJQGCLSW-UHFFFAOYSA-N 399.387 4.968 0 40 GJAB CCn1c(CNC(=O)c2ccc(-c3ccccc3Cl)o2)nc2ccccc21 49622786 OJBUDGSNEXDUSL-UHFFFAOYSA-N 379.847 4.900 0 40 GJAB O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc(C2CCCCC2)cc1 52537439 RXKDSSFJPZFUJL-UHFFFAOYSA-N 395.522 4.634 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 63957373 DFVRBLAHLYZWSE-UHFFFAOYSA-N 390.534 4.526 0 40 GJAB Cc1ccc(NC(=O)N2CCO[C@H]3CCCC[C@H]32)c(OCc2ccccc2)c1 69388283 PEVUZZDIPHXTAZ-RTWAWAEBSA-N 380.488 4.749 0 40 GJAB O=C(c1ccncc1)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72349180 UQUTXPTUPYSSAW-UHFFFAOYSA-N 391.902 4.741 0 40 GJAB Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n2)nc1 72377986 CQCXVNYCFQAMPK-QFIPXVFZSA-N 396.498 4.809 0 40 GJAB O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCSC[C@@H]1c1ccc(Cl)cc1 78814152 JDPAWMCRBTZKDE-IPMKNSEASA-N 375.896 4.899 0 40 GJAB CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1ccccc1Cn1cccn1 79104965 BUPQMGFCVBJDTQ-OAQYLSRUSA-N 376.504 4.807 0 40 GJAB O=C(COc1ccc(OCc2cccnc2)cc1)Nc1ccc2ccccc2c1 89878769 FBNVSZWYYTYPRO-UHFFFAOYSA-N 384.435 4.831 0 40 GJAB Cc1ccc(NC(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1Cl 95938993 DHEFOWIKROWGOU-HNNXBMFYSA-N 381.904 4.512 0 40 GJAB COc1ccc([C@H]2CC(=O)CC(=O)[C@@H]2c2ncc(C(F)(F)F)cc2Cl)cc1 100917852 APLRHUIRZISVRH-RHSMWYFYSA-N 397.780 4.562 0 40 GJAB COc1cc(OC)cc(N2CC(O)=C(c3nc(-c4ccccc4)cs3)C2=N)c1 102715972 HIZQXVWWKSITRY-UHFFFAOYSA-N 393.468 4.594 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 103717959 YGQBEIUWXWZSGP-JTQLQIEISA-N 383.662 4.638 0 40 GJAB Cc1c(Cl)cccc1S(=O)(=O)N1CCS[C@@H](c2cccs2)CC1 219547357 BJDXRMNPUGKKLJ-OAHLLOKOSA-N 387.979 4.579 0 40 GJAB CCc1ccc(O[C@H](CC)C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 222899605 OGVDPADKHBAMGE-LEWJYISDSA-N 397.515 4.834 0 40 GJAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 224209724 DJWZTLUXNNUMGF-NHCUHLMSSA-N 376.529 4.950 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1C1CCCC1 225030551 VWWXEJCEGRJHJC-VXKWHMMOSA-N 388.540 4.787 0 40 GJAB Cc1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)nc1 225535512 CKBMKDTXWCJPTK-UHFFFAOYSA-N 381.476 4.595 0 40 GJAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N1CCC(Cc2ccccc2)CC1 225795771 YNKSSUOIZHEOCJ-UHFFFAOYSA-N 389.474 4.686 0 40 GJAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1CCCCC1 226330107 YDFNIJIUTUJHRU-UHFFFAOYSA-N 388.309 4.582 0 40 GJAB Cc1ccc2[nH]c(C(=O)N(CC(=O)O)Cc3ccccc3)c(-c3ccccc3)c2c1 257218016 DBNJPHDBVLTBOD-UHFFFAOYSA-N 398.462 4.870 0 40 GJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260812461 BYKHCSXHBFITSH-WMZHIEFXSA-N 390.568 4.577 0 40 GJAB COc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1NC(=O)C(C)C 408619930 DKYPIFKNOCLFDO-UHFFFAOYSA-N 384.476 4.577 0 40 GJAB Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Nc1ccc2c(c1)CNCC2 581120078 XGXDVMUJJZPPQO-HNNXBMFYSA-N 392.528 4.647 0 40 GJAB C[C@H]1CN(Cc2cnc(C3CC3)o2)c2ccccc2N(Cc2ccccc2)C1=O 628282510 HVUZCBFPLBEROE-KRWDZBQOSA-N 387.483 4.742 0 40 GJAB O=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12)N1CCCCC1 922165 ZWDAJZNULFKFKG-UHFFFAOYSA-N 399.466 4.680 0 40 GJAB Cc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1C 1072259 VSFJELJFPYNIIQ-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB CCc1ccccc1NC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1351048 MOKNRWNWSSCBAL-UHFFFAOYSA-N 393.478 4.787 0 40 GJAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(OC(C)C)cc1 1410555 MHFBWSDXWXQHNY-UHFFFAOYSA-N 386.455 4.768 0 40 GJAB CCOC(=O)c1sc(NC(=O)c2ccccc2Cl)nc1-c1ccccc1 1509255 OVUZSNOBYFMRQO-UHFFFAOYSA-N 386.860 4.893 0 40 GJAB COC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 1918406 CQQIYDJYILKMPR-LLVKDONJSA-N 377.531 5.000 0 40 GJAB CCN(CC)C(=S)SC(SC(=S)N(CC)CC)C(=O)C(C)(C)C 2272166 JQOSLLFDTZXCRK-UHFFFAOYSA-N 394.697 4.648 0 40 GJAB CCOc1ccc2nc(SCC(=O)N[C@H]3CCCc4ccccc43)sc2c1 3221710 FBUXIRCCCZGWIG-KRWDZBQOSA-N 398.553 4.981 0 40 GJAB COCCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)nc2ccccc21 3448052 KXCNGXBJDVGGFE-OAHLLOKOSA-N 393.512 4.836 0 40 GJAB CCc1ccc(-c2ccc(SCC(=O)Nc3ccc(F)cc3F)nn2)cc1 4356299 KTNVZFHDXDALJR-UHFFFAOYSA-N 385.439 4.715 0 40 GJAB Cc1c(Cl)ccc2c(C(=O)NC[C@@H]3CCCO3)cc(-c3cccs3)nc12 4554217 DDWYIAVHLDULND-ZDUSSCGKSA-N 386.904 4.834 0 40 GJAB C[C@H](OC(=O)c1nc(Cl)ccc1Cl)C(=O)Nc1cccc2ccccc12 4767420 KBANFLRGQFLAQE-NSHDSACASA-N 389.238 4.726 0 40 GJAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(C)cc3)ccc12 5546974 BUNVXQWBXHHRNN-UHFFFAOYSA-N 379.456 4.770 0 40 GJAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3ccccc3)n2)cc1 6086141 KRCSWKJBHNKCIU-CQSZACIVSA-N 380.469 4.557 0 40 GJAB CCCOC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 6311285 MCJUZZZNWLFERY-UHFFFAOYSA-N 375.852 4.703 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)[nH]2)c(C)c1 6456150 PFEDCXDUXPZFRF-UHFFFAOYSA-N 386.908 4.781 0 40 GJAB C[C@@H](Oc1ncnc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1 6508995 YEFAUAMPPNWUTB-MRXNPFEDSA-N 385.423 4.828 0 40 GJAB Cc1ccc(C)c(C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 6832290 CYFCSVYWMNJGCC-UHFFFAOYSA-N 399.825 4.993 0 40 GJAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ncccn3)ccc21 6910914 QXEBNNSTWCNQGN-CQSZACIVSA-N 376.485 4.724 0 40 GJAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cnn(-c2ccccc2)c1 7088138 XLQAZDGTATVKPU-HSZRJFAPSA-N 396.450 4.652 0 40 GJAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N(C)c1ccccc1 7160762 GQYCHDPODQGLGU-GFCCVEGCSA-N 391.418 4.792 0 40 GJAB Cc1csc(SCc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)n1 7597746 VHYJOGFEACLTCW-UHFFFAOYSA-N 384.482 4.725 0 40 GJAB C[C@H](NC(=O)c1ccccc1COc1ccccc1)c1ccc(-n2ccnc2)cc1 7737092 JXLSUHXNKKZAAK-IBGZPJMESA-N 397.478 4.942 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)c(C)c1 7929260 CELDLUTXFYVMRE-NRFANRHFSA-N 385.463 4.929 0 40 GJAB CCc1ccc(-c2nc(CN(C)CC(=O)Nc3cccc(F)c3)cs2)cc1 8213808 HOCXMMOCJCEHAE-UHFFFAOYSA-N 383.492 4.582 0 40 GJAB COc1ccc2c(C)c(CCC(=O)Oc3cc(C)ccc3Cl)c(=O)oc2c1 8850887 OXTKYWSBWXNNOJ-UHFFFAOYSA-N 386.831 4.610 0 40 GJAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1nnc(-c2cccs2)o1 9365159 CNKONHLWQCZGRM-NSHDSACASA-N 396.501 4.640 0 40 GJAB O=C(/C=C/c1ccccc1F)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 9499025 RCIBXZBEGNGFRU-JXMROGBWSA-N 389.352 4.741 0 40 GJAB O=C(CSCc1ccccc1Br)N1CCCc2ccccc21 10449456 PSTMCYRYAFDHKV-UHFFFAOYSA-N 376.319 4.662 0 40 GJAB CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)c(Cl)c1)O[C@@H](C)C2 11232048 VXUFOGKPUQDYOP-NSHDSACASA-N 396.270 4.733 0 40 GJAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 12137061 QIUYALSXXSAERA-SFHVURJKSA-N 394.515 4.806 0 40 GJAB CCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C(C)C 12408200 HOXTWDVZHOUZKR-UHFFFAOYSA-N 390.549 4.641 0 40 GJAB Cc1[nH]c(=S)sc1CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 12625423 YOZDQPHAJBXJHU-UHFFFAOYSA-N 388.489 4.904 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1N1CCCCC1 12744448 WWMUCRUFLPLCHK-UHFFFAOYSA-N 389.902 4.540 0 40 GJAB CCCOc1c(Cl)cc(C(=O)Nc2nc3c(s2)CCC3)cc1OCC 12913526 QSLZFOXGWUUZDG-UHFFFAOYSA-N 380.897 4.725 0 40 GJAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)C1 12993740 OFRZDRWCBQOBAF-VXGBXAGGSA-N 381.904 4.666 0 40 GJAB CCc1noc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)n1 13011242 HYGPAZGTVPTWOE-UHFFFAOYSA-N 389.912 4.951 0 40 GJAB Sc1nnc(-c2ccc(Br)cc2)n1-c1cccc2ncccc12 13552214 GMENSNOODHYKPL-UHFFFAOYSA-N 383.274 4.534 0 40 GJAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccccc1Cl 13709702 HMZLLGNQYAVZGQ-ZDUSSCGKSA-N 384.328 4.810 0 40 GJAB O=C(Nc1cccc2cccnc12)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14857181 HPJJXPQAGSELKW-UHFFFAOYSA-N 386.430 4.691 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)c1 15630886 LSPHZGXZBRKBPG-UHFFFAOYSA-N 383.451 4.900 0 40 GJAB COc1cccc(/C=C/C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1 15637400 KUBZKKMWJXDPKB-CSKARUKUSA-N 380.469 4.788 0 40 GJAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1csc(-c2ccc(C)cc2)n1 15832587 VDRLOCKNHPMCHZ-IBGZPJMESA-N 384.476 4.731 0 40 GJAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 16141618 YFKNFVWLUNJSSP-HSZRJFAPSA-N 389.499 4.865 0 40 GJAB C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccccc1C(F)(F)F 16716908 OZGGGZSGYOIPHP-NSHDSACASA-N 379.407 4.711 0 40 GJAB CCCn1nc(NC(=O)c2ccc(OCC)cc2)c2cc3ccc(C)cc3nc21 17252572 GUWRLIQHRMARPX-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB CCn1cc(C(=O)N[C@@H](C)c2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 22236685 XCNBMJSMILRWDJ-ZDUSSCGKSA-N 388.389 4.531 0 40 GJAB C[C@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCc2ccccc2C1 23907590 IVZCABCKZRBUNT-OAHLLOKOSA-N 387.508 4.771 0 40 GJAB COc1ccc(C)cc1CSCc1nc2scc(-c3ccco3)c2c(=O)[nH]1 25088072 KCPAYNXGFHSJEF-UHFFFAOYSA-N 398.509 4.995 0 40 GJAB CCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(Br)cc1 27757243 KEDRUJWLYUYXPE-UHFFFAOYSA-N 388.290 4.782 0 40 GJAB Cc1ccc(Cn2nccc2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 28292259 ZBKWMEHFFUMOQS-UHFFFAOYSA-N 377.488 4.555 0 40 GJAB COc1ccc(C)cc1NC(=O)c1nn(-c2ccccc2Cl)c2c1CCCC2 32656561 IDNPKOCHDZFVHX-UHFFFAOYSA-N 395.890 4.974 0 40 GJAB CCNc1nc2c(s1)[C@H](c1ccc(OCc3cccc(F)c3)cc1)CC(=O)N2 35324881 HXJRSQNPLRKMKU-KRWDZBQOSA-N 397.475 4.767 0 40 GJAB COc1ccc2[nH]c([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 35446797 WHCMSCSWOHFNTR-AWEZNQCLSA-N 375.394 4.580 0 40 GJAB biogenic,in-vitro COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4ccccc4C)c3n2)c1 40484453 YUHYARCFLJJIOL-UHFFFAOYSA-N 395.462 4.682 0 40 GJAB CC(C)c1ccc(OCc2cc(=O)n3nc(-c4cccs4)sc3n2)cc1 41076390 OZYYNVSWBQDRFS-UHFFFAOYSA-N 383.498 4.582 0 40 GJAB COc1ccc(-c2nc3ccc(NC(=O)[C@@H](C)Oc4ccccc4)cc3o2)cc1 41086054 VXFNYULEALLQEE-OAHLLOKOSA-N 388.423 4.909 0 40 GJAB CCN(C(=O)c1cc(-c2ccccc2C(F)(F)F)nc2onc(C)c12)C1CC1 44545686 VWPMTUXUHSFIHP-UHFFFAOYSA-N 389.377 4.842 0 40 GJAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 44949049 WRXGSVISYRYEON-INIZCTEOSA-N 382.243 4.576 0 40 GJAB CCOc1ccccc1NC(=O)Cc1csc(Nc2ccc(Cl)cn2)n1 49029692 LAQWRRAAQYMLIY-UHFFFAOYSA-N 388.880 4.515 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccnc3cc(-c4cccc(F)c4)nn23)C1 57729205 ZTTSVMMVIDUBMN-INIZCTEOSA-N 396.466 4.650 0 40 GJAB CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cc(Cl)sc1Cl 58330070 VQCXZDDZHIJPPC-UHFFFAOYSA-N 398.267 4.908 0 40 GJAB COc1cc(CN2CCC[C@H]2c2ccc(O)cc2)cc(Br)c1OC 58421340 FXYLUCZLGOUACZ-KRWDZBQOSA-N 392.293 4.509 0 40 GJAB O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1ccccc1C(F)(F)F 60058703 XGXTYZBRENCGMN-UHFFFAOYSA-N 390.336 4.962 0 40 GJAB CC(=O)N1CCCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 72214593 FSKZTGVOXQQUPA-GOSISDBHSA-N 375.513 4.553 0 40 GJAB COC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1 72328174 PPPLARUNESEZSJ-UHFFFAOYSA-N 394.374 4.834 0 40 GJAB COc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 72358396 QCKWRKHNOORXMN-IBGZPJMESA-N 377.463 4.671 0 40 GJAB c1cnc(Nc2cccc([C@@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)nc1 72376043 JGIAXNJCHDCBIH-HXUWFJFHSA-N 396.498 4.543 0 40 GJAB CCOc1ccc2cc(S(=O)(=O)Nc3cnc4ccccc4c3)ccc2c1 72414281 UEGRJLYGCCQWRF-UHFFFAOYSA-N 378.453 4.588 0 40 GJAB COC(=O)c1cc(SCC(=O)Nc2ccc(F)cc2Cl)ccc1Cl 79058184 ISZQIGFSRROSCE-UHFFFAOYSA-N 388.247 4.650 0 40 GJAB Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4ncc[nH]4)C3)cc2)c1 95395342 SPNJPDZAEBHWEJ-KRWDZBQOSA-N 376.460 4.922 0 40 GJAB Cc1ccc(CCC(=O)N(c2ccc(N(C)C)cc2)[C@@H](C)c2ccccn2)o1 95468118 XYVSAVZMRALIDO-SFHVURJKSA-N 377.488 4.776 0 40 GJAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@@H](c2ccc(F)c(Cl)c2)S1 95478236 YCTLTMUBKGJPSG-OAHLLOKOSA-N 381.860 4.619 0 40 GJAB CC(=O)[C@@]1(CC(=O)O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C 96347217 HHUFPQVXBGPMLE-ARVFGIOISA-N 382.500 4.511 0 40 GJAB Cc1ccc2oc(C(=O)N3[C@H]4CC[C@H]3CC(c3ccc(F)cc3)C4)cc(=O)c2c1 100166731 VMTYDNGJTKNZGH-OALUTQOASA-N 391.442 4.791 0 40 GJAB CCOC(=O)/C=C(/C)Nc1cccc2c(N/C(C)=C/C(=O)OCC)cccc12 104218848 HQRKMAUKPPPCQU-VCFJNTAESA-N 382.460 4.597 0 40 GJAB COc1ccc(S[C@H](C)C(=O)NCCSCc2ccccc2C)cc1 216496017 BQOPYBRSDPHORR-MRXNPFEDSA-N 375.559 4.534 0 40 GJAB CC(C)(C)c1ccccc1OCCNC(=O)CSCc1ccccc1F 223731075 BNABZMHZFXVTQR-UHFFFAOYSA-N 375.509 4.552 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)Oc1cccc2ccccc12 223783228 HLHDEPRHHICORJ-SFHVURJKSA-N 377.484 4.926 0 40 GJAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)NC1CCCCCC1 224883334 MILROBXXWYCSHG-UHFFFAOYSA-N 391.309 4.876 0 40 GJAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(CCCc3ccccc3)C2)no1 257335682 YLJUVGVGDQPOKK-FQEVSTJZSA-N 395.547 4.549 0 40 GJAB COc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCCCC4)cc3c2)cc1 408713336 TZXIDFBEZAIQGJ-UHFFFAOYSA-N 394.496 4.788 0 40 GJAB COc1ccc(Nc2nc(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)cs2)cc1 524865215 QFWRICIADAWCAC-ZDUSSCGKSA-N 385.464 4.868 0 40 GJAB Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccccc1Cl 675030692 FUSIOTZWZDBWGU-UHFFFAOYSA-N 383.698 4.538 0 40 GJAB COCC[C@@H](Cc1ccco1)Nc1nnc(-c2ccccc2)cc1C(F)(F)F 1612240840 CJBPHAXXBNGUHJ-HNNXBMFYSA-N 391.393 4.815 0 40 GJAB CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 628936 MTQVEYDTVBFUJZ-UHFFFAOYSA-N 393.295 4.698 0 40 GJAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(C)c1 672651 MMTDCCGDQAOMDZ-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB C[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)N3CCC[C@H](C)[C@@H]3C)cc2)[C@H]1C 4713650 DVMVMYMDLLKZEC-XSLAGTTESA-N 386.540 4.991 0 40 GJAB Cc1ccc(OCCOC(=O)c2ccccc2C(=O)N(C)c2ccccc2)cc1 4789835 YHNCMHHYZCXGJN-UHFFFAOYSA-N 389.451 4.507 0 40 GJAB COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn23)cc1OC 4791168 CXXCJWIFDZOFTL-UHFFFAOYSA-N 387.439 4.579 0 40 GJAB CC(C)C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 4815075 GJZNARPKLDPRHB-RBUKOAKNSA-N 380.879 4.655 0 40 GJAB O=C1CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cc(-c2ccccc2)n1 5002990 ZZDVDQQRYBKJCH-UHFFFAOYSA-N 390.446 4.952 0 40 GJAB CCOc1cc2c(cc1/C=C(\CC(=O)O)c1nc3ccccc3o1)O[C@@H](C)C2 7001043 DDPWTARHBUWLPQ-WFSQQTBHSA-N 379.412 4.565 0 40 GJAB Cn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nc2ccccc21 7154103 WZFMZTLENILRSA-FQEVSTJZSA-N 393.537 4.633 0 40 GJAB CSc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cccs3)nc12 7599741 JOXONONBTZSSFV-LBPRGKRZSA-N 390.555 4.906 0 40 GJAB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3sccc3C)cc2)cc1 8072841 UXKBUABTUJGJDF-UHFFFAOYSA-N 380.469 4.960 0 40 GJAB O=C(CSc1ccc(F)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 9072850 UQMXDERRYBSBTN-UHFFFAOYSA-N 380.416 4.958 0 40 GJAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc1Cl 9198220 LKAVCXBNRMMZDN-UHFFFAOYSA-N 393.299 4.818 0 40 GJAB CCn1c(CN2CCC3(CC2)Nc2ccccc2-n2cccc23)nc2ccccc21 12115974 CZOYGSOMFVKNJX-UHFFFAOYSA-N 397.526 4.764 0 40 GJAB Cc1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1C 12762843 KUNDBJJNSIWPSL-HSZRJFAPSA-N 376.525 4.951 0 40 GJAB COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 12784117 TXFRPAQAEUWRPH-ZPHJMFTNSA-N 394.496 4.690 0 40 GJAB O=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 12920492 YCFLVBQZJQRERE-UHFFFAOYSA-N 380.831 4.501 0 40 GJAB CC(C)c1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c2cnn(C(C)C)c2n1 12943592 ADAQZNVFSZCLGA-CYBMUJFWSA-N 382.430 4.550 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 13646641 CULITLRKIQCRJG-CYBMUJFWSA-N 377.893 4.944 0 40 GJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 13710781 QOGNSYDBFITALB-LJQANCHMSA-N 394.515 4.726 0 40 GJAB CCOc1ccccc1OCCCC(=O)Nc1nnc(C2CCCCC2)s1 14679102 OODIGFJRCVSQNJ-UHFFFAOYSA-N 389.521 4.782 0 40 GJAB CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCc1ccc(F)cc1 15019499 LIZHDOAGEFRVDA-UHFFFAOYSA-N 398.507 4.527 0 40 GJAB COc1ccc2[nH]cc(CCNC(=S)Nc3ccc(C(F)(F)F)cc3)c2c1 17080356 AQSNPXBIJFSAQK-UHFFFAOYSA-N 393.434 4.724 0 40 GJAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 19009253 HWORMHXCNPNOCN-UHFFFAOYSA-N 397.544 4.612 0 40 GJAB C[C@@H](Sc1nncn1-c1cccc(Cl)c1)c1nnc(-c2cccs2)o1 19297848 NRDLGAFRTMDHMO-SNVBAGLBSA-N 389.893 4.886 0 40 GJAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 20609901 ZLAJXHNAZHVVMN-INIZCTEOSA-N 386.455 4.850 0 40 GJAB Cc1cccc(-c2n[nH]c(SCc3cc(=O)c4cccc(Cl)c4[nH]3)n2)c1 21099016 BBRODKHDCFDXHY-UHFFFAOYSA-N 382.876 4.567 0 40 GJAB O=C(CCCCc1nc2ccccc2s1)Nc1cccc(C(=O)NC2CC2)c1 24986427 OXRUITKLJRGJLX-UHFFFAOYSA-N 393.512 4.540 0 40 GJAB O=C(NCc1ccccc1Cn1ccnc1)c1cc2c(s1)-c1ccccc1CC2 25666370 JUMSYAFFAGVESX-UHFFFAOYSA-N 399.519 4.689 0 40 GJAB Cc1cccc(O[C@@H](C)C(=O)Nc2c(-c3ccccc3)nc3sccn23)c1 25740169 GVMGEQMVRQPJQV-HNNXBMFYSA-N 377.469 4.777 0 40 GJAB CCCc1cc(C(=O)Nc2ccnn2Cc2ccc(OC)cc2OC)sc1C 26880420 JWSKXPDBVXIVBM-UHFFFAOYSA-N 399.516 4.523 0 40 GJAB C[C@H]1CCC2=[N+](CC1)[C@@](O)(c1ccc(Cl)cc1)CN2c1ccc(Cl)cc1 27525384 UYKISXLFLZCPPW-BTYIYWSLSA-N 390.334 4.890 0 40 GJAB Cc1nc(-c2cccc(NC(=O)C3(c4ccccc4)CCOCC3)c2)cs1 32702392 FTFIVNUMJGBBAK-UHFFFAOYSA-N 378.497 4.805 0 40 GJAB Cc1nc2ccccc2nc1S[C@H](C)C(=O)Nc1nc2ccccc2s1 32931651 WKJDWBGAOANOME-GFCCVEGCSA-N 380.498 4.667 0 40 GJAB Cc1nc(Cc2nn3c(-c4cc(Cl)cc(Cl)c4)nnc3s2)cs1 36357520 XKEAMZLLRUAKFO-UHFFFAOYSA-N 382.301 4.515 0 40 GJAB O=C(c1cc(-c2ccccc2Cl)on1)N1CCc2[nH]c3ccccc3c2C1 40086981 PUWVYBHYWNSRPD-UHFFFAOYSA-N 377.831 4.675 0 40 GJAB O=C(NC[C@H](O)c1ccccc1F)Nc1cc(Cl)c(Cl)cc1Cl 40098567 ZKDPZLWERGXCAZ-AWEZNQCLSA-N 377.630 4.641 0 40 GJAB O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCc2sccc2C1 44775914 GQEYTJGOFVVFTJ-HOTGVXAUSA-N 380.538 4.993 0 40 GJAB CCc1ccc2cc(CNc3ccc(N4CCC[C@H](C)C4)cc3)c(=O)[nH]c2c1 57712640 VUDYQIKSTOWBHA-KRWDZBQOSA-N 375.516 4.939 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(Cl)c2cccnc12 57932606 LJIPNYIWVKBMPC-UHFFFAOYSA-N 391.254 4.876 0 40 GJAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC(n4c(C)ccc4C)CC3)cc12 58432504 RQERHOCJBKWOJL-UHFFFAOYSA-N 398.576 4.958 0 40 GJAB CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc2c(s1)CCCCCC2 64444996 KQESUKAKOQCHIE-UHFFFAOYSA-N 381.545 4.988 0 40 GJAB O=C1COc2cc(NCc3ncc(-c4cccc(Cl)c4)o3)c(Cl)cc2N1 71887068 OUBRIULBAAROKS-UHFFFAOYSA-N 390.226 4.591 0 40 GJAB CCS[C@H]1CC[C@@H](NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1 72303498 PEYPQVSPDYSGKM-CABCVRRESA-N 385.957 4.787 0 40 GJAB Clc1ccc(Cc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333557 PQEJXVQRUDKJDI-UHFFFAOYSA-N 384.936 4.898 0 40 GJAB O=C(NNc1ccc(F)cc1)c1cc2ccccc2n1Cc1ccccc1F 78517929 RHDDZERDEXSQLR-UHFFFAOYSA-N 377.394 4.725 0 40 GJAB COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(C(C)C)c3C)o2)cc1 89575546 FFWQLNRLUQZHOF-UHFFFAOYSA-N 385.489 4.719 0 40 GJAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1Cc1ccccc1 89577923 HIUKVDQFUDYXRS-UHFFFAOYSA-N 393.468 4.771 0 40 GJAB O=C(c1ccccc1Br)N1CCC(CSCc2ccco2)CC1 90608351 RNWMYFQBUUBMIX-UHFFFAOYSA-N 394.334 4.828 0 40 GJAB COc1ccccc1CSCCC(=O)Nc1c(C)nn(-c2ccccc2)c1C 97002277 KIYIIIUTICQOHV-UHFFFAOYSA-N 395.528 4.760 0 40 GJAB CCN(C(=O)c1cccc(-n2ccnc2SC)c1)[C@@H]1CCCc2cccnc21 97105103 MIYVRKGWVGXEDY-LJQANCHMSA-N 392.528 4.529 0 40 GJAB CC(C)OCc1c(-c2ccc(Cl)cc2)c2cc3c(cc2[nH]c1=O)OCCO3 98086846 PAHIOUIMLPJXDT-UHFFFAOYSA-N 385.847 4.545 0 40 GJAB O=C1NC(c2ccccc2)=C(C(=S)Nc2ccccc2)[C@@H](c2ccccc2)N1 100857967 MYVYDBHJDCTCJK-HXUWFJFHSA-N 385.492 4.891 0 40 GJAB Cc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 106724920 YWEMDOQSWUEGGO-YBEGLDIGSA-N 388.286 4.994 0 40 GJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCCN1CCCc2ccccc21 219301297 AZBNPQOOLRREAA-LJQANCHMSA-N 380.532 4.536 0 40 GJAB O=C(NCCOc1ccc(Cl)cc1)c1ccccc1CCc1ccccc1 224279235 CLBPYBWVSLPRBU-UHFFFAOYSA-N 379.887 4.934 0 40 GJAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c(C)c1 225167001 YYTWEGPLBWGATH-OAHLLOKOSA-N 384.501 4.667 0 40 GJAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)[nH]1 225358394 OAVOLYHEWPKQHO-LEWJYISDSA-N 392.528 4.682 0 40 GJAB COc1ccc(CCCNC(=S)Nc2ccc(C)c(Cl)c2)cc1OC 225627162 HYFLOLYIZBHPBU-UHFFFAOYSA-N 378.925 4.585 0 40 GJAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225826595 ADNPFDDKZJECAN-AOMKIAJQSA-N 393.524 4.965 0 40 GJAB COc1cc(Br)c2[nH]c(-c3ccc(Br)cc3)nc2c1 226343282 YOZQEOGJQVVTIA-UHFFFAOYSA-N 382.055 4.764 0 40 GJAB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1ccccc1 409017879 IHROPTFIVUCKLG-XDHOZWIPSA-N 383.469 4.719 0 40 GJAB COc1ccc2[nH]c(C)c(-c3csc(NC(=O)CCCn4cccc4)n3)c2c1 604418763 AKVLBAZWDRTUDF-UHFFFAOYSA-N 394.500 4.829 0 40 GJAB CSc1nc2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2s1 1059333 LBRAQUKLXUBPFF-UHFFFAOYSA-N 386.527 4.625 0 40 GJAB CCCCOCCCn1c(-c2cccc(OC)c2)nc2nc3ccccc3nc21 2244868 LFXIYSCNNRWWJK-UHFFFAOYSA-N 390.487 4.862 0 40 GJAB Cc1ccccc1-n1c(SCCOc2ccccc2)nnc1-c1cccnc1 2625751 SGIZEVHCIGLZSV-UHFFFAOYSA-N 388.496 4.809 0 40 GJAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)NCc1ccc(Cl)cc1 2657400 FEACGZUOFKIBSF-XBXARRHUSA-N 398.673 4.520 0 40 GJAB CC[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 2720038 DZUROFHJTRSGPT-SNVBAGLBSA-N 397.363 4.534 0 40 GJAB O=c1nc(Cl)c(Cl)cn1-c1nc(-c2ccccc2)oc1-c1ccccc1 3111559 OJYKCBDYMORJGF-UHFFFAOYSA-N 384.222 4.861 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1nnc(Nc2ccccc2F)s1 3240530 CTPJLNCPYHZMLM-UHFFFAOYSA-N 388.493 4.768 0 40 GJAB CCOC(=O)c1c(C)[nH]c(C(=O)c2cc3cc(Br)ccc3o2)c1C 3256347 REEYKAUYWWRMPY-UHFFFAOYSA-N 390.233 4.548 0 40 GJAB CSc1ccccc1NC(=O)COC(=O)CCSc1ccc(Cl)cc1 3456444 GMMZVXAYJUXMCS-UHFFFAOYSA-N 395.933 4.726 0 40 GJAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3cccs3)C[C@@H]21 4030022 GEGZPNAYWBGVQD-KKSFZXQISA-N 384.501 4.586 0 40 GJAB biogenic CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@@]43CCC(=O)O3)[C@@]2(C)CC1 4074075 YSKYSQZEVNUXOX-UNTFZJFLSA-N 386.532 4.957 0 40 GJAB biogenic O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cccc(C(F)(F)F)c1 4300598 MUZBUHCCTBYKLM-UHFFFAOYSA-N 380.313 4.850 0 40 GJAB COc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3cccnc3)C[C@H]21 4715759 DKJCJNAFDPVDRB-KNQAVFIVSA-N 393.393 4.611 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1c(-c2ccccc2)nc2sccn12 5266855 IKOCEVGVBOSFIK-UHFFFAOYSA-N 383.860 4.734 0 40 GJAB COc1cc2c(cc1NC(=O)CCn1cnc3ccccc31)oc1ccccc12 5353138 ROXCPJTZINKRKL-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB C[C@H]1CCN(C(=O)COC(=O)c2c(F)cccc2Cl)c2ccccc2S1 5872084 ZDVYRHNJPITHLO-LBPRGKRZSA-N 393.867 4.553 0 40 GJAB CC(C)(C)C(=O)CSc1nnc(COc2ccccc2F)n1-c1ccccc1 6128983 WWVNSWBGBHCLFB-UHFFFAOYSA-N 399.491 4.693 0 40 GJAB COc1ccc(-c2nnc(SCc3c(F)cccc3Cl)o2)cc1OC 6790518 KMZYBDSCTBEFTK-UHFFFAOYSA-N 380.828 4.839 0 40 GJAB COc1cc(CNc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1 6968329 LWJPBCOVHZQNTJ-UHFFFAOYSA-N 390.483 4.942 0 40 GJAB CCc1nc2ccccc2c(C(=O)OCc2nc(-c3cccs3)no2)c1C 7159548 XKWQLLHZKKNOTI-UHFFFAOYSA-N 379.441 4.574 0 40 GJAB O=C(Nc1cc(Cl)ccc1-n1cncn1)C(c1ccccc1)c1ccccc1 7683493 JRUUEAZORUUSIP-UHFFFAOYSA-N 388.858 4.691 0 40 GJAB COc1ccc(-c2nc(CC(=O)Nc3cccc4ncccc34)cs2)cc1 8039488 KWAQAFONOGKFTD-UHFFFAOYSA-N 375.453 4.548 0 40 GJAB Cn1ccnc1[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 8118038 CJVRYRDCERDXPP-MRXNPFEDSA-N 393.796 4.612 0 40 GJAB Cc1[nH]c(SCC(=O)N2CCSc3ccccc32)nc1Cc1ccccc1 8343516 KNVSLASICMOWAA-UHFFFAOYSA-N 395.553 4.540 0 40 GJAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)Cc3nc4ccccc4s3)cc12 8718795 CCPNKBSEQGDFMQ-UHFFFAOYSA-N 398.557 4.944 0 40 GJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(OCc2ccccc2)cc1 8751930 SQDWJTDCHVITMY-UHFFFAOYSA-N 386.451 4.866 0 40 GJAB COc1cccc(-c2cc(C(=O)O)c3c(-c4ccc(Cl)cc4)[nH]nc3n2)c1 9406673 UMQUQEJVDBAFSA-UHFFFAOYSA-N 379.803 4.652 0 40 GJAB CCc1ccccc1NC(=S)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 9720345 YJXGTTZGEXDWFW-LLVKDONJSA-N 397.327 4.836 0 40 GJAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 11694518 DZDXTQCZNFDYGW-ZDUSSCGKSA-N 381.432 4.608 0 40 GJAB Cc1sc(-c2ccccc2)nc1C(=O)N[C@H](C)Cc1c[nH]c2ccccc12 11866554 VIHYYEBFWGKGBU-CQSZACIVSA-N 375.497 4.961 0 40 GJAB Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2nc(-c3ccccc3)cs2)n1 12441716 QXRUMGMBDPULTJ-UHFFFAOYSA-N 396.422 4.835 0 40 GJAB CN(C)Cc1ccccc1CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 12728973 TZUFSRLLCBMIND-QHCPKHFHSA-N 390.552 4.898 0 40 GJAB O=S(=O)(c1cccc(Cl)c1)N(Cc1cccs1)Cc1cccs1 12730100 DABBPOGDFZPWPO-UHFFFAOYSA-N 383.947 4.854 0 40 GJAB CNc1nc(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc12 12814256 AIBIYIZKTZFTEP-AWEZNQCLSA-N 380.517 4.914 0 40 GJAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cccc(C(F)(F)F)c1 12902630 WBLSQKSPWCHTJU-UHFFFAOYSA-N 386.377 4.501 0 40 GJAB C[C@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 12909103 CLJBSRIKGZFGFB-BBATYDOGSA-N 381.278 4.803 0 40 GJAB Nc1c(C(=O)Nc2ccccc2Cl)c2ccccc2n1C(=O)c1ccccc1 16778039 XPRREBCOEDHBHJ-UHFFFAOYSA-N 389.842 4.818 0 40 GJAB CN(Cc1ccco1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 17958362 IXSCVFNAYAPBSD-UHFFFAOYSA-N 376.334 4.758 0 40 GJAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1cccs1 20611381 VOSKILCGLDXWHT-UHFFFAOYSA-N 385.832 4.866 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(Cc2ccccc2)CC1 21822234 LPUXUFZHCNCLRK-UHFFFAOYSA-N 393.575 4.690 0 40 GJAB CCc1c(C(=O)N2CCC[C@H](C(F)(F)F)C2)cnn1-c1cccc(Cl)c1 24631210 UKSWZWUXUPNSEW-LBPRGKRZSA-N 385.817 4.503 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1ncnc2ccsc12 26963698 BHFIQYJPPNQABM-SNVBAGLBSA-N 393.921 4.781 0 40 GJAB CCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 27741470 ZJBMZEKWEGNRKM-FQEVSTJZSA-N 386.561 4.884 0 40 GJAB CCc1sc(C(=O)NCC(=O)Nc2ccccc2-c2cccs2)cc1C 32809344 ODXZFJGSMXRPEO-UHFFFAOYSA-N 384.526 4.716 0 40 GJAB COC(=O)c1cc(NC(=O)c2csc(-c3cccc(Cl)c3)n2)ccc1F 32903647 RJAVAAMYDGCHGM-UHFFFAOYSA-N 390.823 4.642 0 40 GJAB CCCCn1c(=O)c2sccc2n2c(SCc3ccccc3C)nnc12 35529079 DIJUETWETYVTBY-UHFFFAOYSA-N 384.530 4.507 0 40 GJAB COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccccc2)cc1 40407060 QGHLFJLZXYHGPI-UHFFFAOYSA-N 387.888 4.744 0 40 GJAB Cc1ccc(-c2ncc(C(=O)NC(C)(C)c3noc(C(C)(C)C)n3)s2)c(C)c1 61199245 FNLGSXWZRWLHFI-UHFFFAOYSA-N 398.532 4.773 0 40 GJAB Cc1ccc(Oc2c(F)c(F)c(I)c(F)c2F)cc1 68591472 IYGNHMNUXOXCIL-UHFFFAOYSA-N 382.094 4.948 0 40 GJAB biogenic CN(CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)Cc1ccsc1 71810949 VQQZAQYEJHLWDR-QGZVFWFLSA-N 383.344 4.850 0 40 GJAB O=C(COc1ccc(Cl)c2cccnc12)NCc1ccc2ccccc2c1 71843181 JBLDWBCUAGLZLO-UHFFFAOYSA-N 376.843 4.737 0 40 GJAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(C/C=C/c3ccccc3)C2)no1 72352780 BOXIEKSUOUGKHM-OEMHODTASA-N 393.531 4.630 0 40 GJAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2)C12CCCCC2 79490101 HZOMXGBUPNABIJ-DYESRHJHSA-N 391.515 4.761 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1N1CCCC1=O 95474426 JNWUJQNHWXQDRX-UHFFFAOYSA-N 381.863 4.519 0 40 GJAB O=C(Nc1ccc(F)cc1)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 100424752 LORWTYLDWLFQRZ-NHCUHLMSSA-N 385.458 4.672 0 40 GJAB Cc1ccc(N(C(=O)c2csc(-c3ccccn3)n2)C2CCCCC2)nc1 108203199 CNZDEHHFLXKDPL-UHFFFAOYSA-N 378.501 4.888 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccccc1C(C)(C)C 222801569 PJJFESPWZQUGRF-LJQANCHMSA-N 397.515 4.790 0 40 GJAB Cc1ccccc1OCCNC(=O)CSCc1c(Cl)cccc1Cl 223443217 SSFPOVCBFOENCG-UHFFFAOYSA-N 384.328 4.730 0 40 GJAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 223852661 LEECMHDQDTYMCQ-PMACEKPBSA-N 392.528 4.521 0 40 GJAB Cc1ccccc1CSCC(=O)NCc1cccc(CN2CCCCC2)c1 224645154 GYXWMTWTXXKQEC-UHFFFAOYSA-N 382.573 4.531 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(CN2CCCCC2)c1 224682988 FYJRYCYXLNLLNJ-XMMPIXPASA-N 394.559 4.763 0 40 GJAB Cc1cccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)c1 224884368 UTOBFBAJKYCDEJ-UHFFFAOYSA-N 385.261 4.984 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C 225316329 UOJZXAIALJLFNO-HSZRJFAPSA-N 395.524 4.688 0 40 GJAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1Cl 225576587 NDFUIYNIGAYELR-HNNXBMFYSA-N 376.909 4.937 0 40 GJAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(Br)c2)cc1 225639803 MFWNAJXTBUBNEZ-ZDUSSCGKSA-N 379.323 4.511 0 40 GJAB O=C(NC1CCCCC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257336848 YQGRWOAOHPMONM-UHFFFAOYSA-N 378.516 4.537 0 40 GJAB CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC 408556772 KKJJASSUWFYHEP-IBGZPJMESA-N 377.893 4.916 0 40 GJAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1 408777812 JIPDWZMBVKQWMD-QMJOVRGKSA-N 389.318 4.611 0 40 GJAB Cn1ccc2c(C(=O)N3CCC[C@H](COc4ccccc4Cl)C3)cccc21 532804456 HNPQPCMQHXNVTM-INIZCTEOSA-N 382.891 4.763 0 40 GJAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)CC2)c1 585270882 CGFOVYZNEAJDPG-QHCPKHFHSA-N 398.934 4.926 0 40 GJAB Cn1cc([C@H]2CN(C(=O)c3cc4cc(F)ccc4s3)Cc3ccccc32)cn1 585410199 XLRLEFYVHFFWJR-LJQANCHMSA-N 391.471 4.562 0 40 GJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1csc(N2CCCCC2)n1 1190661565 AFBGQVHIYTZCOL-UHFFFAOYSA-N 387.839 4.641 0 40 GJAB CC(C)OCCNC(=O)c1ccc2c(c1)C[C@](C)(Cc1ccc(C(C)C)cc1)O2 2037875003 HRRWZEJCKQHULG-VWLOTQADSA-N 395.543 4.901 0 40 GJAB Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2ccc(F)c(Cl)c2)s1 1330248 RRACGFUQFHGPKQ-UHFFFAOYSA-N 394.899 4.555 0 40 GJAB Cc1cccc2cc(CN(C(=O)Nc3ccccc3)C3CCCC3)c(=O)[nH]c12 1378152 AZYKOXWZBAAPAI-UHFFFAOYSA-N 375.472 4.813 0 40 GJAB Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 1508387 CBIHLDVZQOMZCD-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccc(F)cc1 2624265 MUVAKSHBSCLWOW-UHFFFAOYSA-N 393.443 4.701 0 40 GJAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1cccc2ccccc12 3303635 ZMWJOPISDXGHID-UHFFFAOYSA-N 391.442 4.973 0 40 GJAB O=C1CSC2=NC3=C(CCCC3=C3SCCS3)[C@H](c3ccccc3)N12 3351233 BAALYWWNHUNZQD-KRWDZBQOSA-N 386.567 4.802 0 40 GJAB C[C@H](NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 3393350 XSVJQVSGQWZYPA-KRWDZBQOSA-N 375.424 4.513 0 40 GJAB COc1ccc(-c2nnc(SCc3ccc(Br)cc3)o2)cc1 3610349 JHQCBGXLXRBHHY-UHFFFAOYSA-N 377.263 4.800 0 40 GJAB COc1cccc(NC(=O)c2ccccc2-c2nc(-c3cccc(C)c3)no2)c1 4295357 FNZMFAYTPCBBFT-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)Cc2cccs2)c1 4660041 HQNDXVJGILKROJ-UHFFFAOYSA-N 380.469 4.580 0 40 GJAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(NC(C)=O)cc1 4682100 PUVSDEZVHOPRGC-UHFFFAOYSA-N 386.908 4.869 0 40 GJAB Cc1c(C(=O)O[C@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 4794578 VIGRJFNSOYZCGW-FNXXIHLHSA-N 394.515 4.647 0 40 GJAB O=C(NC1(c2ccc3c(c2)OCO3)CCCC1)C1(c2cccc(F)c2)CCCC1 5007267 VUIPWFQTAPCDFO-UHFFFAOYSA-N 395.474 4.952 0 40 GJAB COc1cccc(C(=O)Nc2c(-c3cccc(C)c3)c(=O)c3ccccc3n2C)c1 5427586 YLCOLDXAHDNRRI-UHFFFAOYSA-N 398.462 4.775 0 40 GJAB CCc1nnc([C@H]2C(=N)S/C(=C\c3cccc(Cl)c3Cl)C2=O)s1 6294674 UCPKGIBDIXCKCS-YLALDSINSA-N 384.313 4.825 0 40 GJAB C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl 6509489 ULOODFOBKRBGEW-ZDUSSCGKSA-N 384.328 4.983 0 40 GJAB O[C@@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N(C/C=C/c1ccccc1)CC2 6927226 RDZKUDPALZMKLW-GXGKYYTNSA-N 391.511 4.797 0 40 GJAB biogenic O=C(OCCSc1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2o1 7058410 NVDNJAZOPQRYGU-UHFFFAOYSA-N 394.370 4.761 0 40 GJAB O=S(=O)(/C=C/c1ccc(Cl)cc1)N(Cc1ccco1)Cc1cccs1 7217331 KKFDBIGIDCDXBQ-FMIVXFBMSA-N 393.917 4.997 0 40 GJAB c1ccc(-c2cc(CSc3nnc([C@H]4COc5ccccc5O4)o3)no2)cc1 8156726 XWBUCAUIKFSIBR-GOSISDBHSA-N 393.424 4.529 0 40 GJAB O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)N1CCCCCC1 8863015 MPEANACPRZNZSN-IBGZPJMESA-N 376.953 4.678 0 40 GJAB COc1ccc(OCCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 9898440 UMGJFJTVVSZRBM-NRFANRHFSA-N 385.460 4.571 0 40 GJAB COc1ccc([C@@H](NC(=O)NCc2ccc(OC(F)(F)F)cc2)C2CC2)cc1 9951311 IEEFVRYBRMHRIY-SFHVURJKSA-N 394.393 4.544 0 40 GJAB Cc1cc(-c2cnc(NCCCN(C)c3ccccc3)nc2-c2ccco2)on1 12089358 QGXNKJUBYDCCJO-UHFFFAOYSA-N 389.459 4.638 0 40 GJAB Cc1nc(-c2ccccc2)nc2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)S2 12324299 IWKXEUQTNTURKD-IBGZPJMESA-N 375.497 4.938 0 40 GJAB CCCc1ccc([C@@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 12811846 UTMFFESYFFOARK-JOCHJYFZSA-N 389.528 4.556 0 40 GJAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(F)cc1F 12937436 FVFAICGNQNFBOA-NRFANRHFSA-N 384.451 4.613 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2sc(-c3cccc(OC)c3)nc2C)c1 13692186 IIKMYHZXWLAEDD-UHFFFAOYSA-N 396.468 4.556 0 40 GJAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3)n2)c1 14609528 SIOPEAKVKKCDMZ-UHFFFAOYSA-N 384.439 4.504 0 40 GJAB CC(C)C(=O)N1CCC(c2noc3nc(C(C)C)cc(C(F)(F)F)c23)CC1 19452116 ILZOQIOUYWAQBW-UHFFFAOYSA-N 383.414 4.727 0 40 GJAB CC[C@H](NC(=O)c1cc(-c2ccncc2)c2cnccc2n1)c1ccc(F)cc1 19500428 PBOPKHNBIHKJIO-FQEVSTJZSA-N 386.430 4.712 0 40 GJAB Cc1nc(-c2ccccn2)sc1C(=O)N(Cc1ccncc1)C1CCCCC1 19561009 ZDKUFEQPIWQEJF-UHFFFAOYSA-N 392.528 4.884 0 40 GJAB C[C@H](OC(=O)c1cc2c(F)cccc2s1)C(=O)N[C@@H](C)c1ccc(F)cc1 24899342 FJEFHANSOUZRFB-RYUDHWBXSA-N 389.423 4.602 0 40 GJAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(SC(F)F)cc1 25075229 DBMJLFKMWMGSNN-UHFFFAOYSA-N 377.441 4.696 0 40 GJAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3csc(-c4ccsc4)n3)c12 25636180 FFZVWQJUDKJYHG-UHFFFAOYSA-N 397.481 4.951 0 40 GJAB Cc1cc(SC[C@@H]2CSc3nnc(-c4cccnc4)n32)nc2ccccc12 30533807 PNUKPMWSZSNMMB-OAHLLOKOSA-N 391.525 4.636 0 40 GJAB Cc1cc(SC[C@H]2CSc3nnc(-c4cccnc4)n32)nc2ccccc12 30533809 PNUKPMWSZSNMMB-HNNXBMFYSA-N 391.525 4.636 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1Cl 30868642 MUFCHXQHKUQCHQ-UHFFFAOYSA-N 382.641 4.532 0 40 GJAB Cc1cc2cc3c(N)c(C(=O)Nc4ccc5c(c4)OCO5)sc3nc2cc1C 35312062 LIUHJZWKZDVKQN-UHFFFAOYSA-N 391.452 4.630 0 40 GJAB COc1ccc(-c2csc(Cc3nc(-c4ccc(F)cc4)no3)n2)cc1OC 35592653 PHHGSQPNKGXVCC-UHFFFAOYSA-N 397.431 4.607 0 40 GJAB CC(C)[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N1CCCC[C@@H]1C 42944767 HQKCUOQSTQXDRT-KSSFIOAISA-N 398.532 4.736 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(Cl)c1 51364568 WWKLELSBIOBNPV-INIZCTEOSA-N 378.859 4.807 0 40 GJAB Cc1ccc(-c2oc(/C=C/C(=O)O)cc2Br)c(Br)c1 57353783 VDNWWFWOBJSYLW-HWKANZROSA-N 386.039 4.878 0 40 GJAB O=C(NCCc1cccc2cccnc12)Nc1ccc2c(c1)OC1(CCCC1)O2 57984559 KRWYIVHGXKKTGI-UHFFFAOYSA-N 389.455 4.641 0 40 GJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)=O)cn1 72215180 WTKIOXRQSPGWKG-MAUKXSAKSA-N 375.513 4.695 0 40 GJAB CC[C@](C)(NC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 72294561 CAKJFEOAGKNXHG-NRFANRHFSA-N 380.469 4.594 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCCCc2ccccc2)cc1 72329007 BWRCVQWJNSNENM-UHFFFAOYSA-N 377.488 4.618 0 40 GJAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)c2)c1 72353856 WCEODFCSCIBDSD-JOCHJYFZSA-N 385.511 4.704 0 40 GJAB Cc1csc(NC(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)n1 72406497 DGMFDWPKPZSPOO-UHFFFAOYSA-N 377.469 4.624 0 40 GJAB NC(=O)Nc1cccc(C(=O)Oc2ccccc2-c2nc3ccccc3s2)c1 84514810 XIFMWBHEEAWLGQ-UHFFFAOYSA-N 389.436 4.673 0 40 GJAB CN(CCC(F)(F)F)c1nc(-c2cccnc2)nc2sc3c(c12)CCC3 89340325 KJXMZYGIOCWQJQ-UHFFFAOYSA-N 378.423 4.631 0 40 GJAB O=C(Nc1ncc(-c2ccccc2)s1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 89851261 OEJSIOALKFMWEN-HZPDHXFCSA-N 383.473 4.523 0 40 GJAB O=C(Nc1nc(-c2cccnc2)cs1)c1c[nH]nc1-c1ccc(F)c(Cl)c1 95964191 RJMOYCICQUTAMA-UHFFFAOYSA-N 399.838 4.640 0 40 GJAB O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 96117378 WNQSFVXABGVYMO-OAQYLSRUSA-N 375.447 4.915 0 40 GJAB Cc1ccccc1-c1nc2ccc(NC(=S)NC(=O)c3ccccc3)cc2o1 98086902 XYYUJVVLIHFARZ-UHFFFAOYSA-N 387.464 4.930 0 40 GJAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@@H]2c2ccccc2F)CCC1 102892919 JTTOFSCZFHLTGH-GOSISDBHSA-N 375.403 4.931 0 40 GJAB COc1ccc2cc(S(=O)(=O)Nc3ccc(OC4CCCC4)cc3)ccc2c1 224311653 QXHJGLYJKMVWJJ-UHFFFAOYSA-N 397.496 4.971 0 40 GJAB COc1cc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)ccc1OC(C)C 225531385 VMMBPEARGPGJGA-UHFFFAOYSA-N 398.450 4.988 0 40 GJAB CCOc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cc1 225614646 JFUUADQLSWQUHG-UHFFFAOYSA-N 378.538 4.834 0 40 GJAB CN1CC[C@@H](CNC(=O)Nc2cc(F)cc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 534229791 NOEKWZWYCYKDSN-SGTLLEGYSA-N 397.828 4.572 0 40 GJAB C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1c(C(=O)O)oc2ccccc12 568066357 YFCBCIIJEDRJTM-DJJJIMSYSA-N 385.847 4.746 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CCC(COc3ccc(C4CC4)nn3)CC2)cc1 1775966012 OWTAAQMXBYMSDZ-UHFFFAOYSA-N 393.531 4.583 0 40 GJAB O=C(c1ccc(F)cc1)N(C[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 882120 WWHJYCSOXITDGV-GOSISDBHSA-N 382.460 4.775 0 40 GJAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccccc1F)CC2 2201932 RCROUZKLHAAHNC-HSZRJFAPSA-N 391.442 4.631 0 40 GJAB CCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc2c1CC[C@H](C)C2 2708078 VCIOEESTIXGQQN-LBPRGKRZSA-N 375.490 4.522 0 40 GJAB O=C(CSc1nnc(-c2ccc(Cl)s2)o1)N1CCCc2ccccc21 2720371 GCKCILOHBDMBLH-UHFFFAOYSA-N 391.905 4.523 0 40 GJAB S=C(NCc1ccccc1)Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1 2782385 KYXFSMVITPOEDT-UHFFFAOYSA-N 391.327 4.725 0 40 GJAB C[C@H](NC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1)c1ccccc1 3252957 QHFDSEOKIDQNCY-VUODPORTSA-N 397.521 4.771 0 40 GJAB COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CN2CCCC[C@H]2C)cc1 3648939 GAUGLBVEJRYEEX-NQIIRXRSSA-N 378.516 4.552 0 40 GJAB CCCc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)cc1 4548961 ONSJUCKUMDXQFZ-UHFFFAOYSA-N 389.517 4.900 0 40 GJAB Cc1cc2oc(=O)cc(-c3cc4ccccc4o3)c2cc1OCC(=O)OC(C)C 4586254 ONMSMHKYPFUKNF-UHFFFAOYSA-N 392.407 4.845 0 40 GJAB biogenic O=c1c2cccnc2nc(SCc2ccc(Cl)cc2)n1Cc1ccccc1 5054966 VXAPIQWNUWMYPJ-UHFFFAOYSA-N 393.899 4.786 0 40 GJAB COc1cccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccco3)C2)c1 5069486 SJMORQDBPBHLPN-IBGZPJMESA-N 380.831 4.933 0 40 GJAB COCCNc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn12 5560909 VISSUSHVPCNZPF-UHFFFAOYSA-N 386.499 4.662 0 40 GJAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 5656655 HZYAITZSRDYPON-UHFFFAOYSA-N 381.785 4.910 0 40 GJAB Cc1ccc(NC(=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c(C)c1 6189708 MYMUJPZMGCNERR-UHFFFAOYSA-N 375.350 4.553 0 40 GJAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1cc(Cl)ccc1Cl 6423773 BGLAEEMXKDSHLI-UHFFFAOYSA-N 387.679 4.649 0 40 GJAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 6514208 MORWKMNWIIDRPO-RMKNXTFCSA-N 384.810 4.885 0 40 GJAB COc1ccc(-c2cc(OC(=O)c3ccccc3F)cc3sc(=O)oc23)cc1 6809682 YQJVIDDWNZXGRA-UHFFFAOYSA-N 396.395 4.888 0 40 GJAB Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(C)n1C 7603235 NEZLPJIIFCYIML-DHDCSXOGSA-N 389.864 4.563 0 40 GJAB O=C(O)/C(=C/c1ccccc1Cl)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 7603280 LMNGMNXHXUGVRC-ZROIWOOFSA-N 392.267 4.996 0 40 GJAB O=C(COC(=O)/C=C/c1cccs1)Nc1cc(C(F)(F)F)ccc1Cl 7735371 TZYBVAPZTNABAX-GQCTYLIASA-N 389.782 4.615 0 40 GJAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1Cl 7927225 PPGNNIRHIPOKTD-AWEZNQCLSA-N 399.343 4.675 0 40 GJAB O=C(c1ccccc1)c1ccc(OCC(=O)N2CCC[C@H]2c2cccs2)cc1 8036368 GGOWDEHUBOYKIY-FQEVSTJZSA-N 391.492 4.722 0 40 GJAB Fc1cc2c(c(CSc3nnc(-c4cccs4)n3C3CC3)c1)OCOC2 8252074 WKBYEMYXANCGFH-UHFFFAOYSA-N 389.477 4.639 0 40 GJAB O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)Nc1cccc(F)c1 8328901 GEZZDLSJGGDSBA-UHFFFAOYSA-N 397.406 4.654 0 40 GJAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1sccc1C)C[C@H]1CCCO1 8869413 RRHOAAGWZULRNP-QGZVFWFLSA-N 393.936 4.605 0 40 GJAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(Cl)cc1C 9584674 KHTSPZQCRSUACA-UHFFFAOYSA-N 398.846 4.820 0 40 GJAB CCNc1nc(SCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)nc2ccccc12 11572724 FVWYHNLLCRIRLF-AWEZNQCLSA-N 398.507 4.512 0 40 GJAB Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 12323603 GMHVULFIUFZJAH-CQSZACIVSA-N 376.847 4.623 0 40 GJAB CCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 12552088 JYRLVERFWDCTBL-CSKARUKUSA-N 394.858 4.679 0 40 GJAB Cc1cc2nc(C)c(CCC(=O)N[C@H](C)c3cccc4ccccc34)c(C)n2n1 13005815 OVLRMTVEUADQRU-QGZVFWFLSA-N 386.499 4.618 0 40 GJAB Nc1c(C(=O)c2ccccc2)sc2nc(N3CCCCC3)c3c(c12)CCCC3 13756195 AYFPWYMTBGHPIT-UHFFFAOYSA-N 391.540 4.979 0 40 GJAB Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2cccc(Cl)c2)cc1 16311583 QCINLMFWRYCVSH-UHFFFAOYSA-N 388.862 4.626 0 40 GJAB Cc1cc(NC(=O)[C@@H](Sc2nc3cc(Cl)ccc3[nH]2)c2ccccc2)no1 16812805 GYDQPVKCTPVQBU-KRWDZBQOSA-N 398.875 4.985 0 40 GJAB C[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2C1 17192305 ZTXBFFRIMLSCDV-FBTGCWLCSA-N 384.479 4.975 0 40 GJAB CCN(Cc1ccccc1)C1CCN(Cc2cc3cc(OC)ccc3[nH]2)CC1 19526648 VCHZJGCOPGQPBB-UHFFFAOYSA-N 377.532 4.663 0 40 GJAB Cc1ccccc1-n1nc(C)c(-c2cncn2C[C@H](C)N2CCCCC2)c1C 19719670 IPFRFNWPEFGJEF-SFHVURJKSA-N 377.536 4.535 0 40 GJAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(C)cc2)c(Br)c1 20110384 AATNYQZSFDEFIK-CQSZACIVSA-N 376.294 4.576 0 40 GJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)c1 20142217 RKNPWAQBNAWTRV-OAHLLOKOSA-N 395.455 4.877 0 40 GJAB COc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccc(C)cc4)c3ncn2n1 21801180 HENLJKCLHOQODL-UHFFFAOYSA-N 383.455 4.669 0 40 GJAB CC(C)[C@@H](C(=O)N[C@H](c1ccccc1)c1nccn1C)c1ccc(Cl)cc1 25051028 OTQGRPSQMCKTNU-WOJBJXKFSA-N 381.907 4.719 0 40 GJAB COc1ccc(-c2nc(C(=O)Oc3cc(C)cc(C)c3C)cs2)cc1OC 27124391 YVZNTQIFRMBCLE-UHFFFAOYSA-N 383.469 4.972 0 40 GJAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)cc1 27350520 UDWLHEXWQQMQSR-VQIMIIECSA-N 392.421 4.649 0 40 GJAB CCN(CC)Cc1cccc(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)c1 31589038 WWTFCZWCXOAKOQ-UHFFFAOYSA-N 381.520 4.572 0 40 GJAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 32462711 ODUNONFPJSFDAP-INIZCTEOSA-N 388.964 4.733 0 40 GJAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(c2nc3ccccc3s2)CC1 35314175 WKVPDNJPGMLZNE-LJQANCHMSA-N 391.540 4.707 0 40 GJAB Cc1ccc(NC(=O)c2sc(N3CCOCC3)nc2-c2ccc(C)cc2)cc1 36293447 MTGRQYUSLCWAEE-UHFFFAOYSA-N 393.512 4.516 0 40 GJAB Cc1ccc(CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 39759043 YFOFNXRUVVPEQZ-UHFFFAOYSA-N 384.951 4.609 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3C)on2)cc1 46086114 CPLFFOICFWVXFY-UHFFFAOYSA-N 378.428 4.859 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(Cl)c1 51364567 WWKLELSBIOBNPV-MRXNPFEDSA-N 378.859 4.807 0 40 GJAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1c(F)cccc1Cl)CO2 57105484 MRBCGHJIDCGWPO-UHFFFAOYSA-N 399.849 4.735 0 40 GJAB Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)c1 59418703 CIKLSOBRDHMXKB-ZKKFKWFVSA-N 399.877 4.742 0 40 GJAB O=C(CSc1ccc(F)cc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635456 CEUPSDKHVDUODP-QGZVFWFLSA-N 399.409 4.537 0 40 GJAB COc1ccc2ncc(S(=O)(=O)c3ccc(F)c(Cl)c3)c(Cl)c2c1 72329831 WDGRJXXAAUIGKC-UHFFFAOYSA-N 386.231 4.522 0 40 GJAB Fc1ccc(CN2CC[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1 72369952 MBGQNXMQJQTBGM-HNNXBMFYSA-N 391.368 4.884 0 40 GJAB O=C(Nc1ncccc1OC(F)F)c1ccc(Oc2ccncc2)c(Cl)c1 95959722 ZKFUSFSYNZBEAQ-UHFFFAOYSA-N 391.761 4.776 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2)c1 102122091 ZGEZPJPZEVUSOB-HVJHZFLKSA-N 375.468 4.739 0 40 GJAB C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccccc1-c1cn2ccccc2n1 206897441 UJRJYHBWJZSDEZ-HNNXBMFYSA-N 375.403 4.546 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 223228019 WXQPEWRLNLZDPS-JOCHJYFZSA-N 394.559 4.650 0 40 GJAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccccc1 224363655 JOHAGVVJPGXESB-UHFFFAOYSA-N 377.440 4.925 0 40 GJAB CCCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224937138 GJBGCFDAPQAMRS-UHFFFAOYSA-N 394.471 4.946 0 40 GJAB COc1cccc(O[C@H](Cc2ccccc2Sc2ccccc2)C(=O)O)c1 225131533 NHHZLMOPELOCBL-HXUWFJFHSA-N 380.465 4.921 0 40 GJAB CCSc1nnc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)s1 225191607 CNBIOZDZSZQYCS-GHRIWEEISA-N 397.525 4.838 0 40 GJAB COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(Cl)cc2Cl)c1 225306304 CWUUZKUIDGXZLX-UHFFFAOYSA-N 383.300 4.575 0 40 GJAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225688709 XYDIPFKPNBWDGA-HSZRJFAPSA-N 390.568 4.577 0 40 GJAB CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(OC)c(C)c1 225879542 SGYAPNBGNVAISH-JOCHJYFZSA-N 380.532 4.871 0 40 GJAB O=C(c1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257265680 LZVDCLJXSSHZBZ-LJQANCHMSA-N 381.863 4.681 0 40 GJAB O=C(NCCc1ccc(-c2cccs2)s1)c1cc2ccccc2oc1=O 1889291916 NRUJHFZOYYKGCM-UHFFFAOYSA-N 381.478 4.556 0 40 GJAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C)oc2cc1OC 630370 MWZISGWWVVEOIL-UHFFFAOYSA-N 380.440 4.891 0 40 GJAB biogenic COc1ccc(-c2csc(N(C)C(=O)COc3ccc(Cl)cc3)n2)cc1 929063 BADOYJBVYMJLPN-UHFFFAOYSA-N 388.876 4.514 0 40 GJAB Cc1ccc(-c2csc3nnc(SCC(=O)Nc4cccc(C)c4)n23)cc1 937510 ZIXYSRJOCAMWML-UHFFFAOYSA-N 394.525 4.805 0 40 GJAB CCCCc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)n2)cc1 2091479 VVSCFBOIOAMXIH-IRXDYDNUSA-N 384.501 4.758 0 40 GJAB CCc1ccc(-c2nnc3c4cnn(-c5ccc(C)c(Cl)c5)c4ncn23)cc1 2212227 BDGRPUMRFPAJNQ-UHFFFAOYSA-N 388.862 4.654 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 2315275 XSVPYSZIAGRGOV-UHFFFAOYSA-N 386.451 4.541 0 40 GJAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 3437244 XYTIVPQVJUDAFG-AWEZNQCLSA-N 379.378 4.815 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2)c(C)c1 4703032 CCTNJAWFADHCAM-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CCCCN(CCCC)C[C@@H](CN(CC)CC)OC(=O)Nc1ccccc1 4778082 YNMMCCYCCHKNIQ-OAQYLSRUSA-N 377.573 4.848 0 40 GJAB Cc1ccc(C(=O)CSc2nnc3c4ccccc4nc(C(C)(C)C)n23)cc1 4898220 PDKKHXIGYPKYIQ-UHFFFAOYSA-N 390.512 4.858 0 40 GJAB COc1ccc(CSc2nnc([C@H](C)Oc3ccccc3F)o2)cc1F 4937977 UQOABZOIDVRSHY-NSHDSACASA-N 378.400 4.789 0 40 GJAB COc1ccc(-c2cc(OC(=O)c3ccc(F)cc3)cc3sc(=O)oc23)cc1 6809679 UOFSOQUIMNPRLJ-UHFFFAOYSA-N 396.395 4.888 0 40 GJAB CCc1ccc2occ(CC(=O)Nc3sc4c(c3C(=O)OC)CCC4)c2c1 6809824 DQHIRPAGRXTBEP-UHFFFAOYSA-N 383.469 4.513 0 40 GJAB CCOc1ccccc1C1=N/C(=C\C=C2\N(C)c3ccccc3C2(C)C)C(=O)O1 7778637 OBEXZCNSQRIHSO-IVUDTHCKSA-N 388.467 4.584 0 40 GJAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(Br)ccc1Cl 7778692 OKZXEZXKCCSKSW-QMMMGPOBSA-N 384.623 4.906 0 40 GJAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc4c(c3)OCCCO4)ccc2c1 7987638 KDYBURYYNJFBNW-OAHLLOKOSA-N 377.440 4.752 0 40 GJAB Cc1ccc2[nH]c(SCC(=O)N(Cc3ccccc3)Cc3ccco3)nc2c1 8065550 WMVSGPGYLKUFBN-UHFFFAOYSA-N 391.496 4.785 0 40 GJAB CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CCCOC(C)C 9059613 FUQZONDQWQIXDC-UHFFFAOYSA-N 382.508 4.812 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)cc1 9317781 SSOOHTJRBRHRJI-AWEZNQCLSA-N 380.473 4.587 0 40 GJAB CC(C)CSc1nnc2nc3c(c(O)n12)C1(CCCC1)Cc1ccccc1-3 9358799 MRRMZPGISUCHPU-UHFFFAOYSA-N 380.517 4.613 0 40 GJAB CCSc1ccccc1C(=O)Nc1nnc(Cc2ccccc2OC)s1 9614714 IQDUHCZEGXPNLI-UHFFFAOYSA-N 385.514 4.502 0 40 GJAB CC(C)CNc1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1 9622834 OYNRYQGRWDECRE-UHFFFAOYSA-N 376.439 4.766 0 40 GJAB Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2ccccc2)c1 10186532 VQNYNWAVDHMHPC-UHFFFAOYSA-N 389.842 4.600 0 40 GJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)N(C)c3ccccc3)c(Cl)c12 10220417 HPDIJRHOCSCLBH-UHFFFAOYSA-N 376.847 4.659 0 40 GJAB C[C@@H](CN[C@H](Cc1ccsc1)c1nccs1)Cc1ccc2c(c1)OCO2 12220801 MIJLLFWNPXKPLQ-RHSMWYFYSA-N 386.542 4.686 0 40 GJAB CCCn1nc(C)c(C(=O)N[C@H]2CCC[C@@H](c3c[nH]c4ccccc34)C2)c1C 12242224 FGQAWORAHHTPAW-MSOLQXFVSA-N 378.520 4.847 0 40 GJAB C[C@@H](N[C@@H]1CCc2ccccc21)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12805422 HNRILSPMUAAIBQ-MLGOLLRUSA-N 377.469 4.583 0 40 GJAB CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)CC1 12823201 PJVDKXBXEXOVBC-UHFFFAOYSA-N 399.560 4.767 0 40 GJAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(Br)c3)c12 12946423 OWFYZIPICPCHAC-UHFFFAOYSA-N 398.216 4.806 0 40 GJAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(s1)CC[C@@H](CC)C2 12979074 IORJZLNFYKWCIU-OAHLLOKOSA-N 384.545 4.536 0 40 GJAB Cc1ccc(-c2nc(CN(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)co2)c(C)c1 13007618 DGVAAYAPEKMLMO-KRWDZBQOSA-N 398.528 4.555 0 40 GJAB CCCC(=O)NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl 13039578 BYXNCJCCTARQQF-UHFFFAOYSA-N 387.886 4.726 0 40 GJAB COc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1Cl 14008934 CRZWWHXOOJNFII-UHFFFAOYSA-N 398.684 4.745 0 40 GJAB CC(C)N(C(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)C(C)C 17113361 RSKTXOIDQLYNGQ-UHFFFAOYSA-N 394.928 4.628 0 40 GJAB COc1cc(C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OCc1ccccc1 17323593 HMLDRTNYCBAUFF-QGZVFWFLSA-N 391.467 4.774 0 40 GJAB Cc1ncsc1-c1nnc([C@@H]2CCCCN2C(=O)c2csc(C)c2C)o1 19561878 RVSRTXHNHZPIJL-AWEZNQCLSA-N 388.518 4.547 0 40 GJAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C)o1 19581044 MLUYUJDQNWSASO-CQSZACIVSA-N 389.455 4.716 0 40 GJAB CC1(C)C[C@@H](NC(=O)Cc2csc(-c3ccccc3)n2)c2ccccc2O1 19715096 WNEXDWMMOUGCBD-GOSISDBHSA-N 378.497 4.771 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1 19933496 AGIXETWFGAHLOW-CQSZACIVSA-N 378.335 4.868 0 40 GJAB CCOc1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1OCC 20458524 WQBWRUOGJCSDNT-UHFFFAOYSA-N 395.543 4.898 0 40 GJAB COc1ccc([C@@H](CNC(=O)Cc2ccccc2)c2c[nH]c3ccccc23)cc1 23573146 UTHRXVHSYWWDKU-JOCHJYFZSA-N 384.479 4.667 0 40 GJAB Cc1ccc(C(=O)C2CCN(C(=O)c3csc(-c4ccco4)n3)CC2)c(C)c1 24456904 VSZWJJJKMPSWSM-UHFFFAOYSA-N 394.496 4.755 0 40 GJAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)C12CC3CC(CC(C3)C1)C2 27662478 DHCXDGKSHZTKOB-LIPMQLJGSA-N 386.605 4.998 0 40 GJAB CCOc1ccc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)sc2=S)cc1 28467672 UEKRRXSMLYFCLQ-CYBMUJFWSA-N 399.541 4.740 0 40 GJAB O=C(CSc1nc2ccccc2s1)NCc1csc(-c2ccccc2)n1 32904426 XBZLTWKVXIANCJ-UHFFFAOYSA-N 397.550 4.828 0 40 GJAB Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(F)cc3Br)c2)n1 32915520 LLTHJEDQYFQXAN-UHFFFAOYSA-N 388.240 4.643 0 40 GJAB CCOc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)cc1 32935067 UJUMSGNEQRGXPK-LJQANCHMSA-N 387.277 4.545 0 40 GJAB CCc1ccc(CC)c(C(=O)CSc2nnc(-c3sc(C)nc3C)o2)c1 37149354 JBJBUUVRKIRXOX-UHFFFAOYSA-N 387.530 4.910 0 40 GJAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(-n2cc[nH]c2=S)c1 40087155 FTOQCNDUZFZRLO-UHFFFAOYSA-N 398.538 4.901 0 40 GJAB CCCCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)nn(C)c1C 53954478 ZSIYEHLKQHHEJY-UHFFFAOYSA-N 381.520 4.717 0 40 GJAB COc1ccc(Oc2ncccc2NC(=O)NCc2cc3ccccc3[nH]2)cc1 58157832 UTBGBSJKRIQKNW-UHFFFAOYSA-N 388.427 4.686 0 40 GJAB FC(F)(F)c1ccc(Cl)c(-c2nn3c(-c4ccccn4)nnc3s2)c1 61721524 WPCVIDBEUPGKGV-UHFFFAOYSA-N 381.770 4.587 0 40 GJAB O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1cccc(Cl)c1 67298113 VAJXOFMCIUFHQN-PYCFMQQDSA-N 397.843 4.733 0 40 GJAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1N1CCCCC1 72216133 RKYYOEQFKSERGX-NRFANRHFSA-N 379.504 4.936 0 40 GJAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3c(C)cccc3Cl)cc2)c1C 72306404 PHMYVDIJACFFDX-UHFFFAOYSA-N 397.862 4.572 0 40 GJAB CC(C)c1ccc(OCCc2cc([C@@H]3CCN(Cc4ccncc4)C3)n[nH]2)cc1 72380048 AFZVCANFGACJNF-OAQYLSRUSA-N 390.531 4.539 0 40 GJAB COc1cc(CNC(=O)CC2CCCCC2)ccc1OCc1ccccc1F 72427747 UJZCFSKWVOMXBP-UHFFFAOYSA-N 385.479 5.000 0 40 GJAB Cc1nn(-c2ccccn2)c2c1[C@H](c1c(F)cccc1Cl)SCC(O)=N2 79474989 INNRLNRBOFZGEW-QGZVFWFLSA-N 388.855 4.792 0 40 GJAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCSc3ccc(Cl)cc32)cc1 84686985 KASVQNJSKACMET-WBMJQRKESA-N 386.904 4.687 0 40 GJAB Cc1nc(Cl)c(C)c(NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 95464806 QFKCDBWQVXSFDP-QGZVFWFLSA-N 398.919 4.724 0 40 GJAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccccc2Cl)S1 96116843 VCZGQXWNGDKBLT-MLGOLLRUSA-N 391.924 4.846 0 40 GJAB COc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O 211513555 SRWIOOVWCQWESU-GDNBJRDFSA-N 388.832 4.616 0 40 GJAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(Br)cc2)cc1C 223449946 GOCSQNKHUIAUFK-HNNXBMFYSA-N 376.294 4.631 0 40 GJAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 223490400 LFDHXGUNLRKFJL-DEOSSOPVSA-N 395.543 4.871 0 40 GJAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224010841 OCZFFGACLQHBHF-QGZVFWFLSA-N 375.896 4.536 0 40 GJAB O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225574899 CSKRUWWBKZXWRN-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225840482 YLWZCIRWVQCCSP-QFIPXVFZSA-N 393.524 4.678 0 40 GJAB CCOCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c(C)n1 225860572 VEUMLPCYPYOALR-UHFFFAOYSA-N 382.504 4.564 0 40 GJAB COc1cc(N)ccc1NC(=O)c1ccc(-c2ccccc2Br)o1 227147521 PVKFWDSNLKROFT-UHFFFAOYSA-N 387.233 4.552 0 40 GJAB COC(=O)c1c(N)c(-c2nc(-c3ccc(Cl)cc3)cs2)c2ccccn12 257173752 WEXHLUHMNOBYDH-UHFFFAOYSA-N 383.860 4.752 0 40 GJAB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 408654618 GFVGWFOIPIAYFC-CYBMUJFWSA-N 378.255 4.514 0 40 GJAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CNc1ccccc1 408719534 NFQSMESTZJPJIV-XNTDXEJSSA-N 389.274 4.555 0 40 GJAB O=S(=O)(c1ccccc1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442877 IGYMKRLPWFFGFB-UHFFFAOYSA-N 390.468 4.607 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 585148221 SCRDTLCONHUKRM-IBGZPJMESA-N 399.874 4.607 0 40 GJAB Cc1ccc(CC(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)cc1 1615155344 HIJKNIVQIHZNOC-VXKWHMMOSA-N 380.507 4.725 0 40 GJAB CCOC(=O)[C@H](CC)Oc1ccc2c(=O)c(Oc3ccc(CC)cc3)coc2c1 950706 WOXMTGWBHWTYLH-IBGZPJMESA-N 396.439 4.868 0 40 GJAB CCc1cccc(CC)c1NC(=O)c1ccccc1I 1037061 GWERIOMKEAXGSI-UHFFFAOYSA-N 379.241 4.668 0 40 GJAB Cc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cc2ccccc2oc1=O 1084449 XWSJTNRETBEMTG-UHFFFAOYSA-N 391.448 4.569 0 40 GJAB CCOC(=O)Cn1c(-c2cccnc2Cl)nc2cc(Cl)c(Cl)cc21 1383366 MNWVBCFNPXOAIH-UHFFFAOYSA-N 384.650 4.622 0 40 GJAB O=C(COc1ccc(Cl)cc1)OCCOc1ccc(Cl)cc1Cl 1699868 ONNISGNUNLPCIB-UHFFFAOYSA-N 375.635 4.648 0 40 GJAB CC(=O)CSc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 2265873 YGSXXJJPFNJWJL-UHFFFAOYSA-N 376.890 4.883 0 40 GJAB Cc1cccc(-n2ccnc2SCC(=O)Nc2nc3ccc(C)cc3s2)c1 2723030 HTGTZCRNBJQBHG-UHFFFAOYSA-N 394.525 4.830 0 40 GJAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)NCc1ccco1 3290643 AWIYSFSCBKUKNC-ZHACJKMWSA-N 375.453 4.523 0 40 GJAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H]1CCCc2ccccc21 3446986 GIVHXACDDDAPML-IBGZPJMESA-N 379.891 4.701 0 40 GJAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccccc1C(F)(F)F 3475193 LVMRXHINTHOIMM-UHFFFAOYSA-N 385.392 4.548 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1I 3566747 LZQYXGHPCLVEAX-UHFFFAOYSA-N 391.130 4.562 0 40 GJAB O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccccc12 4107278 MNPXTRXFUMGQLK-UHFFFAOYSA-N 382.379 4.797 0 40 GJAB in-vitro O=C(Nc1ccc(Cl)c(Cl)c1)N1CCn2cccc2[C@H]1c1cccnc1 4329797 HMIWULUVQLDELU-GOSISDBHSA-N 387.270 4.827 0 40 GJAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)C(Cl)(Cl)Cl 4503101 KRIXJYWOCFNDQT-UHFFFAOYSA-N 387.675 4.978 0 40 GJAB CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)CCC)cc1 4700581 OIURDBHELOYLOL-QGZVFWFLSA-N 382.570 4.652 0 40 GJAB Cc1ccc(C(=O)N2CCc3cc(C(=O)[C@H](C)N4CCC(C)CC4)ccc32)cc1 4993888 LZJTUSUNOMNOMJ-IBGZPJMESA-N 390.527 4.501 0 40 GJAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccccc1Cl 5212772 KZRBKRONGXGDQH-UHFFFAOYSA-N 375.906 4.564 0 40 GJAB CCOC(=O)Cc1nc(Nc2cccc(C)c2)c2c3c(sc2n1)CCCC3 5332565 HOYXIEPHBODOAU-UHFFFAOYSA-N 381.501 4.728 0 40 GJAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 5333504 WDOJDXJHABCKLP-UHFFFAOYSA-N 396.491 4.767 0 40 GJAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(-c2nc3ncccc3o2)cc1 5353843 RJFZVQHSEZAROV-KPKJPENVSA-N 389.842 4.873 0 40 GJAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2ccccc2F)cc1 6322929 KBLJGKUKQGVUSI-CIAFOILYSA-N 391.373 4.888 0 40 GJAB CCOC(=O)c1ccc2nc(NC(=O)c3ccc4c(c3)CCCC4)sc2c1 6327993 YRBSJGZYWPFCEK-UHFFFAOYSA-N 380.469 4.604 0 40 GJAB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(Cl)c(Cl)c1 6615732 DXJNQMDEGRVLTI-UHFFFAOYSA-N 394.327 4.720 0 40 GJAB C=C1c2ccccc2N=C(SCC(=O)Nc2cc(Cl)ccc2OC)N1C 6851211 ZUDCTGGORGWBRW-UHFFFAOYSA-N 387.892 4.624 0 40 GJAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccccn1 7344126 YDFDWEFPYPVNAX-UHFFFAOYSA-N 386.480 4.870 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)s1 7376976 MSRDGIJCTOOYDX-UHFFFAOYSA-N 395.509 4.931 0 40 GJAB CCOc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)no2)cc1 7616109 XAPBSNSUTPECJN-UHFFFAOYSA-N 390.483 4.835 0 40 GJAB O=C(CCc1cccs1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 7987563 UUNJICKSPALENJ-FQEVSTJZSA-N 375.497 4.657 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)N(C)[C@@H](C)c3ccccc3)s2)c1 8025918 NMMFEAFYUIEORV-HNNXBMFYSA-N 398.557 4.902 0 40 GJAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1ccc(Br)cc1 8230788 SOSHSHNDQIVJIU-SECBINFHSA-N 394.319 4.659 0 40 GJAB CCOc1ccc(C(C)=O)cc1COc1cc2oc(=O)cc(C)c2cc1Cl 8478701 GBXRWRDWMQKNPP-UHFFFAOYSA-N 386.831 4.935 0 40 GJAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccccc2)c1 8664948 VGWVLDDSHYXIPO-NRFANRHFSA-N 382.419 4.555 0 40 GJAB COc1ccc2nc(SCC(=O)N[C@@H](C)c3ccc4ccccc4c3)[nH]c2c1 8758388 KQGMVAUNVDJPIA-AWEZNQCLSA-N 391.496 4.694 0 40 GJAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(C2SCCS2)cc1 11509848 RZNKETCMMNOZGB-UHFFFAOYSA-N 381.469 4.697 0 40 GJAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc2ccccc2s1 11807310 NPANOYRWSGYQML-UHFFFAOYSA-N 385.395 4.801 0 40 GJAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccccc2F)n1 11865898 URHQLOPTLAJFLZ-AWEZNQCLSA-N 393.487 4.720 0 40 GJAB O=C(NCCOc1ccccc1-c1ccccc1)c1ccc(Br)cc1 12376991 ROWZXEWEYPNDCS-UHFFFAOYSA-N 396.284 4.925 0 40 GJAB Cc1cccc(Nc2nnc(SCC(=O)NC3CCC(C)CC3)s2)c1C 13141429 XFALCSMMXKOSKE-UHFFFAOYSA-N 390.578 4.686 0 40 GJAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccccc1 13642461 RAFXEBBHXFOMKR-UHFFFAOYSA-N 395.431 4.955 0 40 GJAB COc1ccc([C@H](CNC(=O)c2ccccc2F)c2c[nH]c3ccccc23)cc1 18074515 VLELJZSJHCYMLT-FQEVSTJZSA-N 388.442 4.878 0 40 GJAB Fc1ccc([C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2ccccc2F)cc1 19348732 UKZKCLWJPUSLIC-JTHBVZDNSA-N 380.438 4.545 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2ccc(F)cc2)cc1 20484469 ZWYYYWLDPYQULN-HXUWFJFHSA-N 375.509 4.971 0 40 GJAB COc1cccc(CNC[C@@H](O)c2ccccc2)c1OCc1ccccc1Cl 22075184 DQEBJIYNLNSJBQ-OAQYLSRUSA-N 397.902 4.751 0 40 GJAB Cc1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c2c1[C@H](C)CC2=O 22322160 XQMKMLJAUACYTG-HUUCEWRRSA-N 377.440 4.687 0 40 GJAB CCN(C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2)c1ccccc1C 22993890 XPWFVYIWCVYTAO-UHFFFAOYSA-N 377.463 4.865 0 40 GJAB Cc1ccc2nc(-c3ccc(Cl)s3)cc(C(=O)Nc3ncccn3)c2c1 27977219 SGRKRNYASOADQA-UHFFFAOYSA-N 380.860 4.967 0 40 GJAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc2c(c1)CCO2 32795900 UHZUTYGWQPXZBX-NRFANRHFSA-N 382.463 4.665 0 40 GJAB O=C(Cc1ccc(F)cc1)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 32797540 GPRPZJLSDZFWBX-UHFFFAOYSA-N 387.410 4.943 0 40 GJAB Cn1cc(CC(=O)OCc2cc(-c3ccc(Cl)cc3)on2)c2ccccc21 38765844 XFZVBQJYMPUXGR-UHFFFAOYSA-N 380.831 4.773 0 40 GJAB CC(C)n1ncc2c(C(=O)N[C@@H](C)c3ccccn3)cc(-c3cccs3)nc21 48272162 MTAKXXYCXYSREB-AWEZNQCLSA-N 391.500 4.627 0 40 GJAB O=C(NC1CCC(O)CC1)c1oc2ccccc2c1CSc1cccs1 63837636 VTIZARZBOXRXDX-UHFFFAOYSA-N 387.526 4.820 0 40 GJAB CC1(C)CC[C@@H](NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)c2ccccc21 63864919 BROYXQWANHXWJB-MRXNPFEDSA-N 379.485 4.540 0 40 GJAB CC(C)CCc1noc(C2(c3ccc(Br)cc3)CCOCC2)n1 69982043 NOTMVVISVAEPPR-UHFFFAOYSA-N 379.298 4.517 0 40 GJAB Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72230027 FHYFCXDLTNQRAA-JOCHJYFZSA-N 381.859 4.748 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 72349598 NUEMQDUJTLRNOF-OAQYLSRUSA-N 388.486 4.760 0 40 GJAB O=C(CCc1ccccc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 72359459 PQYKQDMLQKFMOV-UHFFFAOYSA-N 389.474 4.622 0 40 GJAB Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)n(-c2ccccc2F)n1 84105267 XIBIRZJWKQYKDN-UHFFFAOYSA-N 394.233 4.644 0 40 GJAB COC(=O)c1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 85412334 GSNTXWRFGBKUIG-GOSISDBHSA-N 399.516 4.744 0 40 GJAB CC(=O)c1sc(NC(=O)c2ncoc2-c2cccs2)nc1-c1ccccc1 95952913 CVYMQJYPNFTHLB-UHFFFAOYSA-N 395.465 4.982 0 40 GJAB CCCCCOC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1O)c1ccccc1 104043370 WVOOEVVZLKVLPD-XUTLUUPISA-N 378.424 4.657 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CCSCc2ccccc2)cc1Cl 216363395 OYBCOYMMQVZXDW-UHFFFAOYSA-N 377.893 4.779 0 40 GJAB O=C(NCc1nc(-c2cccs2)no1)c1ccccc1CCc1ccccc1 219007626 NETXNUBWFJTJIU-UHFFFAOYSA-N 389.480 4.513 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 223594148 NVKXPCYCRYENMJ-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)CSCc1ccccc1Cl 223746481 SCBVYDMIAGDVHW-UHFFFAOYSA-N 377.937 4.892 0 40 GJAB COc1cc(C)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 223975979 CIYQPHRWHPIPTG-UHFFFAOYSA-N 397.496 4.692 0 40 GJAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c(C)c1 225478748 OGLUNEUKCVPSAE-SFHVURJKSA-N 395.572 4.977 0 40 GJAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCCc1ccccc1 225831007 XBXAQZSJQVGBTE-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB CCCO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OC)c2)CCC[C@@H](C)C1 225853478 SFKDLOHUNSVUPV-OPAMFIHVSA-N 391.508 4.574 0 40 GJAB COC(=O)c1cccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 225863027 WADBIEUDXIGOMH-UHFFFAOYSA-N 382.529 4.705 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3[C@H]3CCSC3)cc2n1 248193179 MVBIPXIGMVJCHG-WFASDCNBSA-N 384.471 4.514 0 40 GJAB Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2Cc2ccncc2)n1 257199793 AAVJIWKNYABDCX-IBGZPJMESA-N 379.895 4.501 0 40 GJAB C[C@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)c1c(F)cccc1F 501686034 YSXJHAZRORWTMN-NSHDSACASA-N 395.331 4.660 0 40 GJAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)Cc2ccc3c(c2)CCC3)cc1 585091815 UGKYMBLEAWZDOQ-UHFFFAOYSA-N 399.490 4.645 0 40 GJAB O=C(CCc1cccc(Cl)c1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1776009889 XETUGNOMGKCXCD-IRXDYDNUSA-N 378.303 4.517 0 40 GJAB C[C@H]1CCCC[C@H]1NC(=O)c1cc(Br)ccc1Br 1017159 BNOBQQUDCIVBRE-TVQRCGJNSA-N 375.104 4.520 0 40 GJAB Cc1[nH]c2c(C)cccc2c1CCNS(=O)(=O)c1cc(Cl)ccc1Cl 1074492 PEIYBOZBTPZEQN-UHFFFAOYSA-N 397.327 4.613 0 40 GJAB CCCCc1ccc(NC2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)cc1 1903681 QFVSAOGGIKQWJT-UHFFFAOYSA-N 382.891 4.503 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccccc1SC(F)(F)F 2293339 VJQTZBXBYHAICY-OAHLLOKOSA-N 385.363 4.597 0 40 GJAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)c1cccc(C(F)(F)F)c1 2373234 APPKMYBMUKHJFV-UHFFFAOYSA-N 396.752 4.879 0 40 GJAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(Cl)cc3Cl)NC(=O)CN21 2412090 DRFPGIWXUBFWAY-MHNQQFQPSA-N 387.310 4.939 0 40 GJAB Cc1ccc(SCCNC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)cc1C 2631344 ZXTPNQDBDNRENY-XLIONFOSSA-N 393.980 4.777 0 40 GJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCN(c2cccc(Cl)c2)CC1 3257477 MIGNXZBGOQYRPA-BQYQJAHWSA-N 394.824 4.721 0 40 GJAB CC(=O)c1cc(F)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 3364023 LHOXJOLLQIEDEP-SNVBAGLBSA-N 384.234 4.591 0 40 GJAB CCOC(=O)c1[nH]c(C)c(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1C 4162873 FPLHRIUOKCNXQQ-UHFFFAOYSA-N 390.483 4.651 0 40 GJAB O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2 4184333 MMXRHJUCFVVLTB-UHFFFAOYSA-N 397.569 4.840 0 40 GJAB Cc1cccc(Cn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 4384994 QMCCGICJGCYMOU-UHFFFAOYSA-N 375.516 4.632 0 40 GJAB Cc1ccn2c(NCc3ccco3)c(-c3cc4cccc(C)c4[nH]c3=O)nc2c1 4847632 XEOWAYBAIKDCMX-UHFFFAOYSA-N 384.439 4.665 0 40 GJAB C[C@H](CO)Nc1nc(SCc2ccccc2)nc2sc3c(c12)CCCC3 5100855 VOAUSQRYIWVKSO-CYBMUJFWSA-N 385.558 4.655 0 40 GJAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc3c(s2)CCC3)c1Cl 5308671 MGPQRUQSEQGORZ-UHFFFAOYSA-N 384.284 4.648 0 40 GJAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccccc3)n12 6862614 CLMBHLRQZKPTRZ-UHFFFAOYSA-N 376.485 4.539 0 40 GJAB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O 6918729 GGNHOATWPGNTLZ-KRWDZBQOSA-N 383.904 4.888 0 40 GJAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1 6967851 PWTKHBOOOYWIBY-FYJGNVAPSA-N 399.475 4.894 0 40 GJAB O=S(=O)(c1cccc(Cl)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7306986 VBNGMIOVFOWNOF-CYBMUJFWSA-N 392.933 4.518 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCCC1)C(c1ccccc1)c1ccccc1 7687038 BBCJSSNCFPJLMH-NRFANRHFSA-N 390.552 4.833 0 40 GJAB CC(C)N(C(=O)COC(=O)CSc1cccc2cccc(Cl)c12)C(C)C 7738099 BSKNUSPNLIFKGJ-UHFFFAOYSA-N 393.936 4.774 0 40 GJAB Cc1cc(C)c(NC(=O)CN(C)Cc2csc(-c3ccccc3)n2)c(C)c1 8204056 KZWJJFLGHCPBID-UHFFFAOYSA-N 379.529 4.806 0 40 GJAB COc1cc(C(=O)NCc2cccc(Cl)c2)cc(Cl)c1OCC(C)C 8315812 JKZPCHFQPLHZLZ-UHFFFAOYSA-N 382.287 4.967 0 40 GJAB O=C(COc1ccc(Cl)cc1Br)N1CCC[C@@H]1c1ccccc1 9955842 FNXUOHYGMWVVDT-MRXNPFEDSA-N 394.696 4.845 0 40 GJAB Cc1csc(NC(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)n1 11865778 VGUIRCCZPXPFQG-UHFFFAOYSA-N 399.419 4.655 0 40 GJAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 12435970 RJGRPFUEEAMZAF-HNNXBMFYSA-N 380.488 4.739 0 40 GJAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cc(Cl)ccc1C)O[C@H](C)C2 12765848 MNRLETKJCGJOSW-ZIAGYGMSSA-N 388.895 4.810 0 40 GJAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)C1 12993743 OFRZDRWCBQOBAF-RYUDHWBXSA-N 381.904 4.666 0 40 GJAB COc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C)cc2)c1 13777896 URDMIPAIIYUYID-UHFFFAOYSA-N 398.462 4.692 0 40 GJAB O=C(Cc1csc(-c2ccccc2)n1)Nc1nc(-c2ccccn2)cs1 14688763 KFJYQKYNAJZNBN-UHFFFAOYSA-N 378.482 4.510 0 40 GJAB Cc1ccc(C(=O)N/C(=C/C=C\c2ccccc2)C(=O)NC2CCCCC2)cc1 15356992 GREVXJWOURTWRD-RTCKTPHJSA-N 388.511 4.771 0 40 GJAB Cc1ccccc1-c1c(-c2nnnn2-c2ccccc2)cnn1-c1ccc(F)cc1 16363064 AFMASPIITXCBGS-UHFFFAOYSA-N 396.429 4.630 0 40 GJAB CN(C(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12)c1ccccc1 16838847 UGTPHXIBJKKNNJ-UHFFFAOYSA-N 381.888 4.922 0 40 GJAB COc1cc(C(=O)Nc2nnc(C(C)C)s2)cc(Cl)c1OCC(C)C 16965884 LCMDQMBAHJSJKR-UHFFFAOYSA-N 383.901 4.611 0 40 GJAB O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)Nc1ccc(Cl)cc1 17209095 JAYUTPHBDVPAST-UHFFFAOYSA-N 392.912 4.597 0 40 GJAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)n1 19659995 RJVNAMKDVAVWLM-FQEVSTJZSA-N 375.472 4.521 0 40 GJAB CC(=O)c1cccc(NC(=O)Nc2ccc(Br)c3cccnc23)c1 27930299 ZEKVQVIVDDPETO-UHFFFAOYSA-N 384.233 4.844 0 40 GJAB Cn1cccc1[C@H]1CCCCCN1C(=O)COc1ccc(Cl)c(Cl)c1 29787197 UKLJGUOKHJMMMI-GOSISDBHSA-N 381.303 4.855 0 40 GJAB Cc1nc(NC(=O)c2ccc(F)cc2)sc1-c1nc(-c2cccs2)no1 31815198 PJMDNOQPHFPURZ-UHFFFAOYSA-N 386.433 4.621 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2cc(C)ccc2C)cc1OC 40039802 OVRUZVFPUOORHL-HXUWFJFHSA-N 395.499 4.647 0 40 GJAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)Cc1cccc(C(F)(F)F)c1 40039841 YYPQDPVNFTTWSI-UHFFFAOYSA-N 397.347 4.651 0 40 GJAB CC(C)C(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1 40104005 AFQWVXUGXLBQRP-CYBMUJFWSA-N 375.419 4.784 0 40 GJAB O=C(NCc1cccc2ccccc12)N1CCC[C@@H](COCc2ccccc2)C1 56923430 KNQPQJIRKAXMOP-OAQYLSRUSA-N 388.511 4.978 0 40 GJAB CCOc1ccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)n[nH]2)cc1 57413637 LNQSBCXGRBTJKC-UHFFFAOYSA-N 390.270 4.712 0 40 GJAB CC(C)Cn1ccc2cc(NC(=O)CCc3nc(-c4ccsc4)no3)ccc21 62580369 CZEOICXRJYOYQN-UHFFFAOYSA-N 394.500 4.980 0 40 GJAB CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214467 SUAVBZPTXFMETQ-INIZCTEOSA-N 391.512 4.915 0 40 GJAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(C)=O 72215073 ZSTHIAHPSXWUQZ-GOSISDBHSA-N 375.513 4.697 0 40 GJAB COc1ccc(-c2csc(CNC(=O)c3ccc(OC(C)C)cc3)n2)cc1 72264959 IFSWXEQQDIMDMB-UHFFFAOYSA-N 382.485 4.536 0 40 GJAB COc1ccccc1Cc1cccc(C2CCN(C(=O)C3CCCC3)CC2)n1 72349653 KONBCYPDVNHPAB-UHFFFAOYSA-N 378.516 4.577 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72358486 UYNJPQDJHLWZCJ-KRWDZBQOSA-N 395.865 4.956 0 40 GJAB c1ccc(Nc2cncc([C@H]3CCCN3Cc3ccc4ncccc4c3)n2)nc1 72376334 GYEHXNYYPGMDFM-OAQYLSRUSA-N 382.471 4.501 0 40 GJAB CC(C)Oc1ccccc1CC(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 78821185 APTSLNBYZFBLNW-KRWDZBQOSA-N 379.504 4.824 0 40 GJAB Cc1ccccc1CNc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc12 95471194 BFJLYVOSHQPQBT-UHFFFAOYSA-N 377.463 4.921 0 40 GJAB Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2c(-c3ccc(F)cc3)noc2n1 104062144 ZPYCPBKYWRMZBQ-YQYZPQCESA-N 393.462 4.892 0 40 GJAB CCc1cccc2c(/C=C3\SC(=O)N(CCOc4ccccc4)C3=O)c[nH]c12 106764192 HILCHVDISAIBFH-UYRXBGFRSA-N 392.480 4.846 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222712132 UQSYPRZVRROUNE-UZLBHIALSA-N 391.467 4.646 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCCSCc2ccccc2F)ccc1Cl 222850441 GAIHUHGQQUAZND-CQSZACIVSA-N 381.900 4.604 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)ccc1Cl 222998060 GVZYLUMPTRQVAA-LJQANCHMSA-N 389.879 4.930 0 40 GJAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC 223479788 BZSMXCXBDSQPAE-QFIPXVFZSA-N 384.495 4.612 0 40 GJAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 225182769 RPSQBIAFZGGHQV-HSZRJFAPSA-N 394.559 4.570 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(F)cc2)ccc1Cl 225473825 QTFKNNIWMFZYCO-NSHDSACASA-N 380.872 4.703 0 40 GJAB COc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 227147641 OQAWXVOFIYKEMJ-UHFFFAOYSA-N 387.233 4.552 0 40 GJAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(F)ccc4F)OCC[C@@]31C2 257207889 BJUJAGMZUTXFGY-NROQGZOISA-N 377.475 4.619 0 40 GJAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(Cl)cn4)[C@@H]3C[C@H]21 257234429 GTMZHPZJDSTNBC-UKAVVXHISA-N 384.907 4.627 0 40 GJAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257254288 KCMFNWZTEKXQHR-HXUWFJFHSA-N 394.446 4.781 0 40 GJAB Cc1cccnc1Nc1cncc(C2CCN(Cc3ccccc3Cl)CC2)n1 257259853 LAICIYZMEMBQCL-UHFFFAOYSA-N 393.922 4.957 0 40 GJAB COc1ccccc1[C@H]1C[C@@H](C)CCN1Cc1csc(N(C(C)=O)C2CC2)n1 513733696 VFXMGCPSQPWURA-MGPUTAFESA-N 399.560 4.640 0 40 GJAB Cc1c(CNC(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)oc2ccc(F)cc12 1631759520 BYQGNALYCURFFE-SGTLLEGYSA-N 384.373 4.754 0 40 GJAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 666511 SFCJGZJBRBHKRU-UHFFFAOYSA-N 399.244 4.920 0 40 GJAB COc1cccc(NC(=O)Cn2cc(C(=O)c3cccs3)c3ccccc32)c1 807936 UDITUNXJOHXHSQ-UHFFFAOYSA-N 390.464 4.581 0 40 GJAB CCOc1ccc2nc3sc(C(=O)N[C@@H]4CCCC[C@H]4C)c(N)c3cc2c1 917106 JEEWVPPOYKDLKL-MLGOLLRUSA-N 383.517 4.739 0 40 GJAB CC(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1C 976177 ZEALVTBLKDELFI-UHFFFAOYSA-N 379.485 4.558 0 40 GJAB CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCC[C@@H](C)C1 1341067 IVUDPSYPAVBJKF-OAHLLOKOSA-N 394.519 4.521 0 40 GJAB Cc1cc(C)c(OCC(=O)Nc2ccc(F)c(Cl)c2)c(Br)c1 1410930 DYJYTXBMYFJSHS-UHFFFAOYSA-N 386.648 4.876 0 40 GJAB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c(C)c1 1510656 VYCYPXQWSXYAHH-SNDHGLFQSA-N 379.459 4.700 0 40 GJAB biogenic CCCCc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CCC)cc2)cc1 2275127 TYAUIQNUOGYWPO-UHFFFAOYSA-N 382.456 4.774 0 40 GJAB Cc1ccc(SCCNC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)cc1C 2631345 ZXTPNQDBDNRENY-YLJYHZDGSA-N 393.980 4.777 0 40 GJAB COc1cccc(NC(=O)[C@H](OC(=O)c2c(F)cccc2F)c2ccccc2)c1 3396626 QAMBKVNWCJJYTN-HXUWFJFHSA-N 397.377 4.510 0 40 GJAB Cc1c(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)nc2ncccn12 4033206 MYCOBMKDZJGPHG-UHFFFAOYSA-N 396.372 4.976 0 40 GJAB COCCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 4150584 PTUWZIHJUNFZQP-IEWPRLFMSA-N 390.527 4.749 0 40 GJAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(O)cc1 5520823 JZKUARJYBHOODR-UHFFFAOYSA-N 376.334 4.880 0 40 GJAB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1CC(=O)N1CCc2ccccc21 5694684 BYCJNVDMIYSIGU-GOSISDBHSA-N 397.478 4.766 0 40 GJAB COc1cc2c(cc1NC(=O)COC(=O)c1ccc(C)s1)oc1ccccc12 5974567 UKYSASULAGHJRH-UHFFFAOYSA-N 395.436 4.760 0 40 GJAB CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccccc1 6169111 YMJLLBBRBPGIST-UHFFFAOYSA-N 391.496 4.981 0 40 GJAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2[N+](=O)[O-])cc1 6477507 JVTHDUXJSUAIOV-YBEGLDIGSA-N 386.454 4.721 0 40 GJAB Clc1ccccc1-c1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1 6507291 YQDFYWPQCVWBJC-MRXNPFEDSA-N 385.920 4.918 0 40 GJAB COc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(Cl)cc3)=NN2)cc1 6973405 BKHSJNQYGAVFLO-UHFFFAOYSA-N 379.822 4.922 0 40 GJAB Cc1ccc(OCCSc2nnc(COc3ccccc3Cl)n2C)cc1 7236070 ZJGSXZUXVYJBHR-UHFFFAOYSA-N 389.908 4.527 0 40 GJAB O=C(c1c[nH]c2ccccc12)[C@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 7279049 WVYJBZNFFJHCFO-HSZRJFAPSA-N 384.435 4.975 0 40 GJAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1C1CC1 7618356 QNXZVQPHHBMFTM-OAHLLOKOSA-N 392.528 4.962 0 40 GJAB COC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 7687235 IXLBJDVMKXKCCU-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB CN(C)C(=O)c1ccc(Nc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1 7986767 PYIPUUUMDBPVSC-UHFFFAOYSA-N 392.459 4.943 0 40 GJAB C[C@@H]1C[C@H](Sc2ncc(-c3ccc(F)cc3)n2Cc2ccccc2)C(=O)O1 8215887 ZZZAJMWAJMCLCB-KUHUBIRLSA-N 382.460 4.534 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8394787 SANKOTQGSNSEGP-UHFFFAOYSA-N 389.455 4.783 0 40 GJAB O=C(Nc1cccc2ncccc12)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 8428246 PFSQOLVXVHZSGY-HSZRJFAPSA-N 394.430 4.941 0 40 GJAB CCn1c(SCC(=O)c2ccc(Br)s2)nc2ccccc21 9549746 QFOQXQRISAVZTR-UHFFFAOYSA-N 381.320 4.855 0 40 GJAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccc(F)c(F)c1F 11370765 BNRIEFXGPCBWIT-UHFFFAOYSA-N 382.288 4.608 0 40 GJAB CCOc1cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)nc(C)n1 12225822 VDRQRFRCZGYTSC-UHFFFAOYSA-N 399.401 4.850 0 40 GJAB CCN(Cc1nc(-c2cccnc2OC2CCCCC2)no1)C1CCCCC1 12365417 VRJZQRZIZHMCMX-UHFFFAOYSA-N 384.524 4.998 0 40 GJAB Brc1ccc2nc(CSc3nc4ccccc4s3)cn2c1 12659248 KOTCZJFHBPWMEH-UHFFFAOYSA-N 376.304 4.999 0 40 GJAB Cc1cccc2c(=O)[nH]c(CN3CCCC[C@@H]3c3nc4ccccc4s3)nc12 12801799 YSNMOFMIUVHDLI-QGZVFWFLSA-N 390.512 4.568 0 40 GJAB COc1ccc(Cc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1OC 12803853 FGYASPKTPDVFNI-UHFFFAOYSA-N 386.448 4.516 0 40 GJAB CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nc2ccsc2c1=O 12924877 VZCXMPLQNJGDNV-UHFFFAOYSA-N 399.324 4.760 0 40 GJAB COc1ccc(Cc2nnc(SCc3coc(-c4ccc(C)cc4)n3)o2)cc1 12971224 ZECOPTBKJCZJAY-UHFFFAOYSA-N 393.468 4.925 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3Cl)no2)c(OC)c1 12988229 PEEBNJBNDILOHU-GOSISDBHSA-N 399.878 4.744 0 40 GJAB CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cccs3)C[C@@H]21 13036504 VDLZYOORAQNKOJ-LAUBAEHRSA-N 377.469 4.784 0 40 GJAB Cc1cccc(C)c1OC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 13135175 MGQHUWUHYCGEJU-UHFFFAOYSA-N 383.451 4.829 0 40 GJAB CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)c1 16751277 MLXHPOGPMJXRCJ-FQEVSTJZSA-N 377.440 4.537 0 40 GJAB Cc1cccc(CC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1 17122902 ABRLUTQIJQGQRZ-UHFFFAOYSA-N 384.479 4.769 0 40 GJAB CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 19081713 XLJKFBDXIWDMBR-UNMCSNQZSA-N 397.538 4.869 0 40 GJAB Cc1ccc(-c2nc(N3CCN(Cc4ccccc4)CC3)nc3c2CCCC3)cc1 20798156 ITYABXZWIGJCBO-UHFFFAOYSA-N 398.554 4.653 0 40 GJAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22540357 KIIYDIGWIFYEOC-HNNXBMFYSA-N 381.925 4.703 0 40 GJAB Cc1ccc(C(=O)CSc2nnc(NCCc3cccs3)s2)s1 24719932 RBUJLETULRBEJY-UHFFFAOYSA-N 381.573 4.599 0 40 GJAB O=C(c1c[nH]c2ccccc12)[C@H](NC[C@H]1COc2ccccc2O1)c1ccccc1 25665014 JJSSECSJEFTAER-MHECFPHRSA-N 398.462 4.522 0 40 GJAB O=C(NCc1ccccc1-n1ccnc1)/C(=C/c1ccccc1)c1ccccc1 30864033 ARVWEVPWEKZUFX-HAVVHWLPSA-N 379.463 4.729 0 40 GJAB COc1ccc(Cn2nccc2NC(=O)c2oc3cc(C)cc(C)c3c2C)cc1 32593708 XHMBSMSLYYRICH-UHFFFAOYSA-N 389.455 4.864 0 40 GJAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)C3CCCCC3)n2)cc1 32744861 OXZPIPQLHSBBKW-CQSZACIVSA-N 386.517 4.823 0 40 GJAB COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)Cc1ccccc1C(F)(F)F 32794996 FTLBGINFSVPIQW-CQSZACIVSA-N 380.410 4.925 0 40 GJAB CCc1ccc(NC(=O)CSCc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1 33064086 VZCXIZQESLYVJF-UHFFFAOYSA-N 380.513 4.579 0 40 GJAB Cc1cc2nc(NCc3cccc(NC(=O)c4ccco4)c3)c3ccccc3n2n1 40083127 FIGZMHNQPVZMOZ-UHFFFAOYSA-N 397.438 4.648 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCOc4ccccc43)c12 40133176 DWMNXIBTFICJQY-UHFFFAOYSA-N 392.503 4.657 0 40 GJAB O=C(Nc1cccc(OCCn2cccn2)c1)c1ccccc1-c1ccccc1 40135160 ZNBLWXQQDLPMIY-UHFFFAOYSA-N 383.451 4.881 0 40 GJAB Cc1nn(C)c(C)c1CN(C(=O)c1ccc(OC(C)C)cc1)c1ccccc1 41157176 ZLLFLAASXGRNPP-UHFFFAOYSA-N 377.488 4.671 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 44900754 DXEJEGBKOYUTMN-AWEZNQCLSA-N 385.920 4.631 0 40 GJAB O=C(Nc1nnc(-c2ccsc2)o1)NC(c1ccccc1)c1ccccc1 49029201 OVQBPFVHTJXAGV-UHFFFAOYSA-N 376.441 4.709 0 40 GJAB Cc1[nH]c(SCc2csc(-c3ncccn3)n2)nc1Cc1ccccc1 53269126 BMCSNWHXGNQLPI-UHFFFAOYSA-N 379.514 4.515 0 40 GJAB COc1ccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)cc1OC 67246088 MICQBNRTPWPJJU-UHFFFAOYSA-N 385.470 4.530 0 40 GJAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2Cc2ccc3ncccc3c2)n1 72372576 WKGRCOREEGVOIB-QHCPKHFHSA-N 396.498 4.809 0 40 GJAB CC[C@H](NC(=O)Nc1ccc(N(C)C)cc1C)c1nc(-c2ccccc2)c[nH]1 95460860 IVZAZMZYDVGPCU-SFHVURJKSA-N 377.492 4.724 0 40 GJAB CCn1ncc(C(=O)Nc2ccc(Sc3cccs3)cn2)c1C(F)(F)F 95962150 XYFMVSLEPVWNJG-UHFFFAOYSA-N 398.435 4.782 0 40 GJAB O=C(CSCc1ccccc1)N(Cc1cnc2ccccn12)c1ccccc1 96102996 GVCWPADIJFSFKM-UHFFFAOYSA-N 387.508 4.801 0 40 GJAB O=C(Nc1cccc(F)c1)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn12 96155274 VFOHJFNPPGZJBJ-UHFFFAOYSA-N 397.413 4.578 0 40 GJAB Cn1nc(-c2cccs2)cc1C(=O)Nc1ccccc1-c1cn2ccccc2n1 206899830 DAXYGCAPXPMINS-UHFFFAOYSA-N 399.479 4.716 0 40 GJAB C[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 222976191 QVCKCWKKQPEKGX-SFHVURJKSA-N 394.534 4.794 0 40 GJAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCc3ccccc3Cl)cn2)C1 223935322 ZNYHUPREBWVNCV-GJZGRUSLSA-N 388.968 4.704 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 225526409 CNOJJRJQHUQANC-NZQKXSOJSA-N 394.559 4.568 0 40 GJAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225607579 IMMUUUFMRMEUBZ-CVDCTZTESA-N 390.568 4.720 0 40 GJAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(Cl)cc1Cl 225734271 JFYLZVOQBGHYOA-UHFFFAOYSA-N 381.646 4.600 0 40 GJAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 247871038 QTTHHWQAKPVMDW-UBRQYEGLSA-N 389.539 4.597 0 40 GJAB CCCC(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(=O)NCC)CC1 257275996 NRXVUKADRJUKQV-UHFFFAOYSA-N 398.572 4.503 0 40 GJAB CC(C)[C@@H]1C[C@@]2(CCCN(C(=O)c3ccccn3)C2)CO[C@H]1c1ccc(F)cc1 257341997 ZMQWHGHGOASIGQ-ODGPQVTHSA-N 396.506 4.877 0 40 GJAB Cc1cc(Oc2ccc(-n3ncc4ccccc43)cc2)nc(-c2ccncc2)n1 541188655 FWJVRVZQQLNUCV-UHFFFAOYSA-N 379.423 4.978 0 40 GJAB Cc1cccnc1CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1OCCC[C@H]12 643913478 JMXHDSFUDCATKL-KNQAVFIVSA-N 398.934 4.938 0 40 GJAB O=C(Nc1ncccc1O)c1cc(-c2ccccc2Cl)nc2ccccc12 1556163693 JBTNOESPJDXJDH-UHFFFAOYSA-N 375.815 4.908 0 40 GJAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)C2CCC(F)(F)CC2)C1 1889149339 DIRZTUWOWFHDFW-UHFFFAOYSA-N 375.463 4.543 0 40 GJAB O=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1ccc(Cl)cn1 645181 ZPTGUXSBPXRIRI-UHFFFAOYSA-N 396.859 4.669 0 40 GJAB CCCc1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1 716813 NSSUZANATSNUPY-UHFFFAOYSA-N 375.291 4.825 0 40 GJAB O=C(Nc1ccc(Cl)cc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 820626 KZOMFZLZUYGYPJ-HMMYKYKNSA-N 376.843 4.750 0 40 GJAB C[C@@H](NC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)s1)c1ccccc1 3178724 FBLUSQJTSIPKSV-HZPDHXFCSA-N 378.497 4.730 0 40 GJAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](c1cccs1)N1CCCC1 3261404 OBFOYEVPUNNBPG-SUMWQHHRSA-N 382.451 4.722 0 40 GJAB O=C(NCC1CCCCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 3336415 BEIOVUVVKUUIAM-UHFFFAOYSA-N 376.909 4.964 0 40 GJAB O=C1CCCC[C@@H]1Sc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 3352201 FRFVWGRIXNSJMA-IBGZPJMESA-N 398.915 4.702 0 40 GJAB CCCCOc1ccc(NC(=O)c2cccc(I)c2)cc1 4199192 SENGGKZKPKKGNA-UHFFFAOYSA-N 395.240 4.722 0 40 GJAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)C1=COCCO1 4275430 QICOLLPOBJVNSM-UHFFFAOYSA-N 398.509 4.730 0 40 GJAB CC(C)(C)C(=O)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 4339976 RPWBBNJXKNSLPS-UHFFFAOYSA-N 390.391 4.518 0 40 GJAB biogenic Cc1ccc(NC(=O)[C@@H](Oc2ccc3ccc(=O)oc3c2)c2ccccc2)cc1 5221487 OFDKEPRNKUNNHV-QHCPKHFHSA-N 385.419 4.860 0 40 GJAB O=C(c1cccc2ccccc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5395253 FZCWZWBHZXQVES-UHFFFAOYSA-N 384.401 4.821 0 40 GJAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1C 7043842 KKPXEEQPNNCHOL-UHFFFAOYSA-N 380.517 4.621 0 40 GJAB CCOc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1F 8254170 KQNBPEYOFZGABN-KRWDZBQOSA-N 393.886 4.725 0 40 GJAB CCOc1ccc2ccccc2c1CNn1c(-c2ccccc2)n[nH]c1=S 8325155 LPJKVIQWIQMZMO-UHFFFAOYSA-N 376.485 4.903 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 9062875 BEKFTQOWCKKWNV-UHFFFAOYSA-N 387.321 4.608 0 40 GJAB Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(C)cc3)n2)cc1 9625288 LIGIHDMYRYTDQJ-UHFFFAOYSA-N 380.473 4.585 0 40 GJAB Cc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2NC(=O)c3ccccc3N2)c1 9639056 GYECQNVATXWDFG-XMMPIXPASA-N 394.478 4.761 0 40 GJAB Cc1cc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)ccc1Br 10253580 JQKQPIGUZZAXCL-UHFFFAOYSA-N 398.239 4.769 0 40 GJAB CC[C@H](C)[C@H](C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1)c1ccccc1 12073339 FEDAQJVYSMDQQB-AOMKIAJQSA-N 380.488 4.590 0 40 GJAB COc1cccc2cc(C(=O)Nc3sc(-c4ccccc4)cc3C(N)=O)oc12 12232741 MBXAHCHIMJERHC-UHFFFAOYSA-N 392.436 4.521 0 40 GJAB CCC(CC)C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OC)cc2)cs1 12442135 DKQDLJPZLFJPRY-UHFFFAOYSA-N 384.505 4.688 0 40 GJAB CCN(Cc1cccs1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 12599682 BORLQBUSGMIILZ-OAQYLSRUSA-N 391.492 4.865 0 40 GJAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(F)cc1Cl 12994950 JVTIQXHTVRMISL-LJQANCHMSA-N 392.858 4.997 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1 13001767 ZQVFZCZEFAYJHB-UHFFFAOYSA-N 377.425 4.715 0 40 GJAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccsc1 13003788 CXEAPEAZQQFUQK-UHFFFAOYSA-N 380.347 4.865 0 40 GJAB COc1ccc2nc(NC(=O)Cc3csc(-c4ccsc4)n3)sc2c1 13006478 CJWGIVFHHUCUES-UHFFFAOYSA-N 387.511 4.671 0 40 GJAB COc1ccc(CN(C(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)C2CC2)cc1 13007145 RRIHDRXXRGXDLI-RIYZIHGNSA-N 395.499 4.695 0 40 GJAB O=C(Nc1nnc(Cc2cccs2)o1)c1sc2ccccc2c1Cl 13653439 CZQCQWNFFHPDLZ-UHFFFAOYSA-N 375.862 4.842 0 40 GJAB CC(C)Cc1nnc2sc(CCn3c4ccccc4c4ccccc43)nn12 13688984 KRJVGMIYRMTSNS-UHFFFAOYSA-N 375.501 4.735 0 40 GJAB Cc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)cs2)cc1 15832546 YVJRKRLJJMUEDH-QGZVFWFLSA-N 380.513 4.819 0 40 GJAB O=C(C[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 16477296 ZQMHKZFWWMFSAS-DEOSSOPVSA-N 388.486 4.962 0 40 GJAB COc1cccc([C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)N(C)C)c1 18016960 GLSBTBOKQOSTSN-HSZRJFAPSA-N 390.483 4.520 0 40 GJAB Cc1ncc(CN2CC[C@@H](c3cc(COc4ccc(C(C)C)cc4)[nH]n3)C2)s1 19704295 RNTPQUWLIAYVHV-GOSISDBHSA-N 396.560 4.867 0 40 GJAB CCc1ccccc1NC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O 20768059 BPHJKGIBZMDBCO-UHFFFAOYSA-N 389.480 4.546 0 40 GJAB CCn1c2ccccc2c2cc(CN(C)C(=O)Cc3c(C)noc3C)ccc21 24031920 PCKGBDDRZIWZSW-UHFFFAOYSA-N 375.472 4.620 0 40 GJAB Cc1ccn(-c2ccc(NC(=O)CCc3c(C)nn(-c4ccccc4)c3C)cc2)n1 28240877 MICKBRQPCNLOQI-UHFFFAOYSA-N 399.498 4.555 0 40 GJAB Cc1ccc(NC(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)c(C)c1 28306140 ZYDBSBRIQDLQIC-UHFFFAOYSA-N 388.830 4.973 0 40 GJAB Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccccc2C)cc1 28527954 XAHIIHFMSQHAKK-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB CC[C@@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc(C)cc1 30754497 XIVVXLCQMRSOSB-GOSISDBHSA-N 376.294 4.712 0 40 GJAB CC(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2 30822736 SLNCULJGKSXCNU-UHFFFAOYSA-N 378.424 4.531 0 40 GJAB C[C@H](NC(=O)CSc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccccc1 32691707 NJWXNRWQVFYROR-JTQLQIEISA-N 380.300 4.839 0 40 GJAB COc1ccccc1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 32942920 PASQIAAIUOHOPQ-UHFFFAOYSA-N 385.419 4.883 0 40 GJAB CCc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCCC4)c(=O)c23)cc1 35672384 WQPAWIWTMXYBJA-UHFFFAOYSA-N 379.460 4.618 0 40 GJAB CCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1 35882603 KTQLOLSJZZPXLH-QZTJIDSGSA-N 389.282 4.642 0 40 GJAB biogenic CCc1cc(C(=O)NCc2ccccc2)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621741 AZXZNJRZNVZGTP-UHFFFAOYSA-N 396.494 4.790 0 40 GJAB CC1CCN(C(=O)c2cc(Br)cc(Br)c2Cl)CC1 41127305 BPAAMENGZAOXQH-UHFFFAOYSA-N 395.522 4.737 0 40 GJAB CC[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(C)c(C)c1 44856525 GXLZQHCYFXYIOC-QHCPKHFHSA-N 382.523 4.922 0 40 GJAB O=C(/C=C/c1ccc(Br)s1)Nc1cccc(-c2cnco2)c1 58404673 AVXHMJZNWUXSNF-FNORWQNLSA-N 375.247 4.818 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2)cc1Cl 59488469 MSTPAZZKHPXHRA-NSHDSACASA-N 397.689 4.947 0 40 GJAB O=C1COc2ccc(-c3csc(-c4ccc(C(F)(F)F)cc4)n3)cc2N1 71971846 AEGZXBWBAIZVIK-UHFFFAOYSA-N 376.359 4.827 0 40 GJAB C[C@@](O)(CNC(=O)Nc1c(F)cccc1F)c1ccc(-c2ccccc2)cc1 77102415 JYKWPUBGLRVEPU-JOCHJYFZSA-N 382.410 4.661 0 40 GJAB O=C(NC(c1ccccc1)c1ccccc1)N(CC(F)(F)F)C1CCOCC1 77200633 DEMYKJJPJGJVGF-UHFFFAOYSA-N 392.421 4.529 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccncc2)C12CCCCC2 79492519 FPZXYXLHRDPFSP-OAQYLSRUSA-N 391.515 4.619 0 40 GJAB COc1cc(CNc2ccccc2N2C[C@@H](C)O[C@H](C)C2)ccc1OC(C)C 84713945 UCZMCTHWRGCBRM-QZTJIDSGSA-N 384.520 4.708 0 40 GJAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](c2ccc(OC(C)C)cc2)S1 95475586 CIZULGQJDBNFRN-SFHVURJKSA-N 387.505 4.614 0 40 GJAB C[C@@H](Cc1ccccc1)CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 96013602 ZBHRLUQFCGHCRD-NRFANRHFSA-N 390.571 4.768 0 40 GJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)on1 100743630 FMACARLHWOYKNF-KDURUIRLSA-N 396.535 4.719 0 40 GJAB Fc1ccc([C@@H](Cn2cnc3ccccc32)NCc2ccc3cn[nH]c3c2)cc1 105435089 PNEJJVBBMZMEQR-JOCHJYFZSA-N 385.446 4.583 0 40 GJAB O=C(Cc1noc2ccccc12)N1CCS[C@@H](c2ccccc2Cl)CC1 206991589 YJCKHYQNOJKXAQ-LJQANCHMSA-N 386.904 4.731 0 40 GJAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 222949783 WZHWPWJTOGAYTM-IBGZPJMESA-N 398.572 4.502 0 40 GJAB COc1cc2c(cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1)CCCC2 223318951 IONPQGIHVYPOFS-UHFFFAOYSA-N 386.300 4.682 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 223591296 QDEJCWALWGEYGN-QHCPKHFHSA-N 394.559 4.651 0 40 GJAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1sccc1C 224554108 XGQLOSBGLFZFOZ-QZTJIDSGSA-N 381.526 4.637 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1Cl 224973833 ACVMQUCEBDYDRD-RBUKOAKNSA-N 398.919 4.557 0 40 GJAB CC(C)c1ccccc1OCC(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225176383 JLGOUZLXVDXEGC-UHFFFAOYSA-N 384.501 4.785 0 40 GJAB C[C@@H](O)c1ccc(C2(CNC(=O)NCc3ccc(Cl)cc3)CCCC2)s1 225686012 CAIZOIMALQBQOJ-CQSZACIVSA-N 392.952 4.766 0 40 GJAB COc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)c2ccccc12 225914883 FFVGJROQRUWIBJ-UHFFFAOYSA-N 377.440 4.539 0 40 GJAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3O)nc2c1 408626911 JJHIYWOVUPPROF-UHFFFAOYSA-N 397.500 4.622 0 40 GJAB Cn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2ccccc21 408713213 OHSLNYJUPBJPQH-UHFFFAOYSA-N 386.476 4.942 0 40 GJAB Cc1nnc(SCC(=O)Nc2ccccc2Cl)n1-c1ccc(Cl)cc1 409086753 GVIPMRXNSALAEW-UHFFFAOYSA-N 393.299 4.613 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)OC(C)(C)C)[C@](O)(C(F)(F)F)[C@@H]2C1 409362058 RSQHNRCEXYEWSP-PSTGCABASA-N 378.435 4.697 0 40 GJAB Cc1ccc2sc(CN(Cc3cccc(O)c3)[C@H]3CC[C@H](O)CC3)nc2c1 528519693 DPFZOPISVIGICH-IYARVYRRSA-N 382.529 4.616 0 40 GJAB CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1C(=O)c1scnc1C 622494338 WMZPOYNMHDZHAB-MRXNPFEDSA-N 397.466 4.601 0 40 GJAB COc1c(C)cccc1C(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 2037978006 ICWRXQULBNWRRA-DEOSSOPVSA-N 396.506 4.806 0 40 GJAB O=C(c1cc(C2CC2)on1)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 2055738938 BRGRNUCAYTVZNV-UHFFFAOYSA-N 399.494 4.878 0 40 GJAB O=C1CN(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 626423 HECRUWTZAMPQOS-GOTSBHOMSA-N 387.435 4.665 0 40 GJAB COC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)cc1 633026 JHWJFEWIVZBWFO-UHFFFAOYSA-N 397.434 4.578 0 40 GJAB Cc1cc(C)c(S(=O)(=O)c2cc(C)c(Cl)cc2C)c(OCC(C)C)n1 1401766 PJRQHLZAJSBVJD-UHFFFAOYSA-N 381.925 4.836 0 40 GJAB CCOC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 1886757 ABLIZGCNWVZVEZ-UHFFFAOYSA-N 396.270 4.968 0 40 GJAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C1(c2ccc(C)cc2)CC1 2397178 LIRRANRPNSQCCG-UHFFFAOYSA-N 396.874 4.977 0 40 GJAB COc1ccc2nc(SCCOC(=O)c3ccccc3Cl)nc(C)c2c1 2410707 AUMPNCCTSMHOJT-UHFFFAOYSA-N 388.876 4.549 0 40 GJAB O=C(NC1=NCCS1)c1oc2ccccc2c1CSCc1ccccc1 3322414 PQKNXMGKTJAXMB-UHFFFAOYSA-N 382.510 4.699 0 40 GJAB O=C(O)Cc1c(Br)oc2cc(Br)c3ccccc3c12 4228166 UUNXSEONESNEDX-UHFFFAOYSA-N 384.023 4.738 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Cl)s1 4275396 XNBBFBDFXCHAOB-UHFFFAOYSA-N 378.862 4.549 0 40 GJAB Cc1csc(SCc2cc(=O)c(OC(=O)c3cccc(Cl)c3)co2)n1 4518830 VPLXSWZALNMTNN-UHFFFAOYSA-N 393.873 4.570 0 40 GJAB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)O3)cc1 4626337 DFQJJHUZYUKTPZ-HNNXBMFYSA-N 388.345 4.545 0 40 GJAB CCCN1C(=O)[C@@](O)(CC(=O)c2c(C)cc(C(C)(C)C)cc2C)c2ccccc21 4784399 HFSHURWTHQIGGY-RUZDIDTESA-N 393.527 4.818 0 40 GJAB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=S)N2c1ccccc1 4821872 WYSHBFHFJNIXIG-JTSKRJEESA-N 390.464 4.767 0 40 GJAB O=C(/C=C/c1ccccc1)Nc1ccccc1N1CCN(c2ccccc2)CC1 4922471 PBHANRUEOZNCHY-FOCLMDBBSA-N 383.495 4.665 0 40 GJAB COc1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C 4930917 PBPMJMCPZXFZJJ-UHFFFAOYSA-N 381.432 4.771 0 40 GJAB Cc1cc(C)c2nc(N(CCN(C)C)C(=O)/C=C/c3cccs3)sc2c1 5121605 QKBOBYKFDMNBCU-BQYQJAHWSA-N 385.558 4.583 0 40 GJAB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NC1CCCC1 5242840 COWLNWLOGXGXPX-HNNXBMFYSA-N 377.513 4.836 0 40 GJAB Cc1nn2c(SCC(=O)O)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5267094 JZNZMPXMIIZQHI-UHFFFAOYSA-N 389.908 4.832 0 40 GJAB C[C@]1(c2ccccc2Cl)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O 5472374 XVCVENWFHWBJBJ-GOSISDBHSA-N 395.311 4.553 0 40 GJAB CSc1ncc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cn1 6175124 KRWWWLBVTQKMEB-UHFFFAOYSA-N 378.482 4.728 0 40 GJAB c1ccc(Nc2nc(CSc3nnc4c(n3)[nH]c3ccccc34)cs2)cc1 6190323 CLLPNVUPMNLZMD-UHFFFAOYSA-N 390.497 4.999 0 40 GJAB COc1cccc(CN(C)C(=O)COc2ccc(Cl)c3ccccc23)c1OC 6627923 KSJLMQLHPJMOMH-UHFFFAOYSA-N 399.874 4.548 0 40 GJAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 6753170 NJLSGKXQSGULEK-KRWDZBQOSA-N 377.488 4.612 0 40 GJAB CCCCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 6853725 IEOZDWVYQNTUTF-UHFFFAOYSA-N 386.517 4.547 0 40 GJAB C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)NCC1CCCCC1 6936742 MAUUOKZTLMAGAL-INIZCTEOSA-N 393.483 4.552 0 40 GJAB Cc1cc(NC(=O)[C@@H](C)Sc2ncnc3sc(-c4ccccc4)cc23)no1 7297215 SCIVWXZSQVYOOW-GFCCVEGCSA-N 396.497 4.774 0 40 GJAB CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1 7921488 DQVKCGJXPPNQHF-UHFFFAOYSA-N 378.375 4.887 0 40 GJAB O=C(N[C@H]1CCSc2ccccc21)c1cc(C2CC2)nn1-c1ccccc1 7987962 BMFDYDDMEIPSMD-SFHVURJKSA-N 375.497 4.717 0 40 GJAB COc1cccc2sc(NC(=O)c3sc(-c4ccccc4)nc3C)nc12 7996188 NYBGXGWKRMGFFR-UHFFFAOYSA-N 381.482 4.989 0 40 GJAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(-n2cccc2)c1 8133204 VLICDMSBRAGFMU-UHFFFAOYSA-N 397.482 4.715 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)N(CCc2cccs2)Cc2cccs2)c1C 8328032 HAVXMZUMLCWQAZ-UHFFFAOYSA-N 386.542 4.842 0 40 GJAB Cc1ccccc1Nc1nc(CSc2nnc(NC3CC3)s2)cs1 9338714 NFVRYAPUQDVSBW-UHFFFAOYSA-N 375.548 4.913 0 40 GJAB CCC1=Nc2ccccc2N=C(NC(=O)C2CC2)[C@@H]1c1ccc(OC)c(OC)c1 9576125 WPAGCKRIEPJHHV-OAQYLSRUSA-N 391.471 4.540 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)N(C)C)cc1 12798648 MJCYLEWUFYIREL-HSZRJFAPSA-N 390.483 4.520 0 40 GJAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNC(C)(C)C 12822260 RFKQDAQTYNYQNT-UHFFFAOYSA-N 394.924 4.572 0 40 GJAB CCCn1c(Cc2ccccc2)nnc1SCc1cc(-c2ccco2)on1 12849031 VANRZWAZRCWHIE-UHFFFAOYSA-N 380.473 4.819 0 40 GJAB CCCN1CCC(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 14242563 JBLBNYFVIPHKTB-HSZRJFAPSA-N 375.516 4.556 0 40 GJAB CC(C)n1ncc2cc(C(=O)Oc3ccc(OCc4ccccc4)cc3)cnc21 14711158 KWIDHYNBILFETD-UHFFFAOYSA-N 387.439 4.810 0 40 GJAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccsc2)cc1 15412974 ZBIGFCKQDGPAOU-QFIPXVFZSA-N 390.508 4.794 0 40 GJAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1cccc2ncccc12 15980060 DCRXVSJIVFXPCU-UHFFFAOYSA-N 383.245 4.599 0 40 GJAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1 16086570 WDJCWBHIKPSVCR-MRXNPFEDSA-N 379.481 4.596 0 40 GJAB O=C(/C=C\c1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 17024801 MORWKMNWIIDRPO-TWGQIWQCSA-N 384.810 4.885 0 40 GJAB O=C(COCc1nc2ccccc2s1)Nc1ccc(OC(F)F)c(Cl)c1 17341262 PLLYOZWWRBQREW-UHFFFAOYSA-N 398.818 4.706 0 40 GJAB O=C(Nc1ccccc1Br)c1cccnc1NCCc1ccccc1 22072668 BGUULMROICHUOB-UHFFFAOYSA-N 396.288 4.751 0 40 GJAB CN(C)C(=O)c1cccc(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)c1 22518275 YQDLCDSFKRJGCS-MRXNPFEDSA-N 384.545 4.853 0 40 GJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3cn(C)c4ccccc34)cc2)n1 23012511 XYAJQHXTAJYOPD-UHFFFAOYSA-N 388.496 4.989 0 40 GJAB COc1ccc(C(=O)C2CCN(C(=O)c3cc4c(F)cccc4s3)CC2)cc1 23038257 VLXZWMYMCADADT-UHFFFAOYSA-N 397.471 4.784 0 40 GJAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(OCc2ccc(F)cc2)c1 24859145 PPKIXKXBUPOXLD-UHFFFAOYSA-N 393.414 4.818 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccccc2)C1 25512114 PBTMVXLRLACJHC-PZJWPPBQSA-N 396.918 4.556 0 40 GJAB CCOc1c(Cl)cc(C(=O)N2CCCCC[C@H]2c2cccn2C)cc1OC 25711165 MJIQYBZNALAZTN-SFHVURJKSA-N 390.911 4.843 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 27581038 LQCCSEZQPBVJIH-UHFFFAOYSA-N 378.428 4.859 0 40 GJAB Cc1ccccc1C(=O)Nc1c(C)nn(Cc2ccc(Br)cc2)c1C 28229068 WHEMPHQZPGXHNR-UHFFFAOYSA-N 398.304 4.871 0 40 GJAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccc(C)n1 29435762 PWKXLETWHHKWJT-UHFFFAOYSA-N 396.512 4.701 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC(C)C 30859373 YYFYUIFTFIKVKA-OAQYLSRUSA-N 390.483 4.774 0 40 GJAB CN(C(=O)c1cccnc1Oc1ccc(Br)cc1)c1ccccc1 31808937 GRCYNYRZQFQJKR-UHFFFAOYSA-N 383.245 4.913 0 40 GJAB Cc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)c(F)c1 32450172 MDVUMDLZGFBWBW-UHFFFAOYSA-N 395.883 4.513 0 40 GJAB Cn1cccc1/C=C1\S/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)NC1=O 35647122 UHFKXIZZWLBETN-JYRVWZFOSA-N 385.798 4.589 0 40 GJAB Cc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 35780821 XHWQQIQHOPLJDJ-YVNJGZBMSA-N 381.589 4.587 0 40 GJAB CCCc1ccc(-c2nc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)sc2C)cc1 35897671 ZLHNHDHHBZTYSM-XDNAFOTISA-N 396.512 4.532 0 40 GJAB O=C(Nc1ccccn1)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12 36612941 FOQWZDJUPCRDFC-UHFFFAOYSA-N 382.379 4.797 0 40 GJAB C[C@@H](OCCCNC(=O)N(C)Cc1nc2ccccc2s1)c1ccccc1 40069022 OTYPJNJHCDZPRK-MRXNPFEDSA-N 383.517 4.606 0 40 GJAB COc1cc([C@@H]2CC(O)=Nc3c(-c4ccccc4)nsc32)cc(OC)c1O 40286353 RPTAWQBNNSRMES-ZDUSSCGKSA-N 382.441 4.657 0 40 GJAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N(CCc1ccccc1)Cc1ccncc1 58167597 FUBKUCOQTYPRQP-GOSISDBHSA-N 394.902 4.774 0 40 GJAB O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)C12CC3CC(CC(C3)C1)C2 59475012 XUCIVRAPDHGOIB-UHFFFAOYSA-N 392.528 4.765 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nccs2)C12CCCCC2 72400342 HEXKIWIYMPTMJN-YJBOKZPZSA-N 397.544 4.823 0 40 GJAB Cc1cc(NC(=O)[C@@H](C)Nc2cccc(-c3nc4ccccc4s3)c2)on1 84124462 CPSGTJHRGBPWGN-CYBMUJFWSA-N 378.457 4.699 0 40 GJAB C[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc2c(c1)CCC(=O)N2 84651740 GDEGOGMWXUQQSN-LLVKDONJSA-N 386.377 4.706 0 40 GJAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3cn(C)nc3C(C)(C)C)cc2)n1 92813515 JURDUCSCFJGKPB-UHFFFAOYSA-N 395.532 4.528 0 40 GJAB Cn1ccnc1-c1sc(NC(=O)c2ccc(Cl)cn2)nc1-c1ccccc1 95960424 OSSZZDLKUZPBOK-UHFFFAOYSA-N 395.875 4.511 0 40 GJAB Cn1cccc1CN(Cc1cccs1)C(=O)Cc1c(F)cccc1Cl 207973977 ADALHNPWRAUIQD-UHFFFAOYSA-N 376.884 4.651 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)COc1ccccc1C 219348492 OTYYPFBTNGRWJP-GCJKJVERSA-N 377.484 4.889 0 40 GJAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3Br)N21 222643756 NSAOKROHPKZKOQ-AFAVFJNCSA-N 388.334 4.824 0 40 GJAB O=C(COc1cccc2c1CCCC2)NCCSCc1ccccc1Cl 223228751 SHZIFCXTKHCIHQ-UHFFFAOYSA-N 389.948 4.647 0 40 GJAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(Br)cc2)cc1 225445728 HXIOPQDPGOSIMM-UHFFFAOYSA-N 379.323 4.723 0 40 GJAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OC 225677535 RJTDSTCTUGAWFI-INIZCTEOSA-N 386.517 4.601 0 40 GJAB COc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 225796975 AGPUBVABSKYYQO-UHFFFAOYSA-N 395.524 4.703 0 40 GJAB Cc1ccc2oc(=O)c(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2c1 226037142 WLHCHBLHRIAQLQ-UHFFFAOYSA-N 383.447 4.944 0 40 GJAB CCCc1ccc(-c2c/c(=N\S(=O)(=O)c3ccccc3)ss2)cc1 408729228 BKKFSKJXHPGDOI-VHEBQXMUSA-N 375.540 4.719 0 40 GJAB Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OCc3ccncc3)cc2)C1 575590507 SVPWCEBRTFJXRW-DENIHFKCSA-N 386.495 4.987 0 40 GJAB O=C(NC1CCCCC1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 798549 WGXKDCHFHODCNV-UHFFFAOYSA-N 390.527 4.655 0 40 GJAB O=C(c1cccc(F)c1)N(C[C@@H]1CCCO1)c1nc(-c2ccccc2)cs1 932630 QCGFXVZWKWQIJM-SFHVURJKSA-N 382.460 4.775 0 40 GJAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(C(=O)OC)cc1 944211 SJOOHEOUMSHTLN-UHFFFAOYSA-N 398.846 4.904 0 40 GJAB N[C@@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)cc2Cl)o1 1275072 XOEQHQLIMFIEKC-HNNXBMFYSA-N 380.300 4.911 0 40 GJAB Cc1cccc(NC(=O)c2cccc(OC(=S)NCc3ccccc3)c2)c1 1421682 FRKAJKRRZUUMMI-UHFFFAOYSA-N 376.481 4.701 0 40 GJAB Cc1ccc(-n2ncc3c2ncn2c(-c4cccc(Cl)c4)nnc32)cc1Cl 2242526 SPDSEIQRIMRVOV-UHFFFAOYSA-N 395.253 4.745 0 40 GJAB O=C(NCc1ccco1)c1ccccc1-c1nc(-c2ccccc2Cl)no1 2419392 SNRDQPJUCPETEV-UHFFFAOYSA-N 379.803 4.580 0 40 GJAB O=C(CSc1nccn1-c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 2723648 JDQINOGYPCICAR-UHFFFAOYSA-N 395.381 4.761 0 40 GJAB C[C@@H](NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 3393354 XSVJQVSGQWZYPA-QGZVFWFLSA-N 375.424 4.513 0 40 GJAB COCc1c(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)oc2ccccc12 3405354 IAWRLCSJQDENQN-UHFFFAOYSA-N 394.452 4.964 0 40 GJAB Cc1cccc2sc(NC(=O)COc3ccc(F)cc3Br)nc12 3558875 JRADZMHXXDPSCJ-UHFFFAOYSA-N 395.253 4.524 0 40 GJAB COc1cccc(NC(=S)N2CCC[C@H](c3nc4cc(C)c(C)cc4[nH]3)C2)c1 4858924 BIEZOIHALFLSTB-INIZCTEOSA-N 394.544 4.765 0 40 GJAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)n2c(nc3ccccc32)N1 4884669 FZCFHIZHHOEBJV-NRFANRHFSA-N 385.423 4.662 0 40 GJAB COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1CC(C)C 5016403 PBBTWUYXIRHHEQ-UHFFFAOYSA-N 396.512 4.556 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)/C=C/c1ccc2ccccc2n1 6121159 KLEXYBLACDMSAX-FIFPYPGSSA-N 384.435 4.852 0 40 GJAB CN(CCN(C)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 6638024 ITTWZWPHDIVCLQ-UHFFFAOYSA-N 395.290 4.621 0 40 GJAB COc1cc(Br)c(CSc2ncnc3ccccc23)cc1OC 7819489 ASEZVRIKSMUKJN-UHFFFAOYSA-N 391.290 4.702 0 40 GJAB Cc1ccc(NC2=NN=C(c3cc(C)n(C[C@@H]4CCCO4)c3C)CS2)c(C)c1 8190837 IBFNFBOGUBUONY-SFHVURJKSA-N 396.560 4.820 0 40 GJAB Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)NCCC1=CCCCC1 8770537 FNTBOBITSVIFPE-UHFFFAOYSA-N 384.505 4.716 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC(c2c[nH]c3ccccc23)CC1 10225081 XJTHKZYPJANFFD-KRWDZBQOSA-N 391.515 4.692 0 40 GJAB CCn1ncc2c(C(=O)Nc3cc(C)ccc3OC)cc(-c3cccs3)nc21 11427455 JJWFCOGYZSBQCU-UHFFFAOYSA-N 392.484 4.749 0 40 GJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NC2CC2)cc1 12419721 YTLWEDLLZIWACU-UHFFFAOYSA-N 388.876 4.711 0 40 GJAB COCc1cc(C)nc2sc(-c3ccon3)c(NC(=O)c3ccccc3)c12 12445390 LYWQFVCUJVGBFU-UHFFFAOYSA-N 379.441 4.658 0 40 GJAB CSCC[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1nc2ccccc2[nH]1 12506855 GBYNZLOKBRKTEY-KXBFYZLASA-N 399.585 4.963 0 40 GJAB CN(C[C@H]1COc2ccccc2O1)C(=O)CC(c1ccccc1)c1ccccc1 12773128 ATQBKOOIVVPNMW-NRFANRHFSA-N 387.479 4.507 0 40 GJAB CCOc1ccc(-c2nc(CSc3nnnn3C3CCCC3)cs2)cc1 12972184 SMKCHIUEHWMFKO-UHFFFAOYSA-N 387.534 4.603 0 40 GJAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCCc1ccccc1Cl 13670331 LXMDTARXJOJKKF-UHFFFAOYSA-N 392.735 4.699 0 40 GJAB Cc1nc2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)ccc2o1 15542185 BLZOXZYZISHRRD-UHFFFAOYSA-N 395.422 4.636 0 40 GJAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccccc1N1CCCC1=O 15615054 VVYPHSCJPGDZTG-UHFFFAOYSA-N 395.459 4.637 0 40 GJAB CCOc1cc2c(cc1NC(=O)COc1c(Cl)cccc1Cl)O[C@@H](C)C2 18238428 CKTSCRKRAYOOJA-NSHDSACASA-N 396.270 4.733 0 40 GJAB Cc1ccc(-c2cc(C(F)F)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1 19894416 LCXKCBYZRXLGFE-UHFFFAOYSA-N 394.469 4.712 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 21004609 NUZUTHYSUOLWRZ-UHFFFAOYSA-N 394.496 4.665 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2nc3ccccc3n2C(F)F)c(OC)c1 23873968 LGWBXLLVLHFYRO-QGZVFWFLSA-N 387.430 4.786 0 40 GJAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCCC2)oc2ccc(F)cc12 27583615 NCURCIJIEZOURL-QGZVFWFLSA-N 386.492 4.899 0 40 GJAB CCn1cc(Br)c(C(=O)Nc2ccccc2Cc2ccccc2)n1 27971288 MHWBXRDDMXGBLM-UHFFFAOYSA-N 384.277 4.509 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c(C)c1 28236095 SGYQJFUTIUPZCY-YPMHNXCESA-N 387.833 4.919 0 40 GJAB CC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 32722387 JYSOCZIVZYNRTK-SOKVYYICSA-N 377.509 4.972 0 40 GJAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1nc2ccc(F)cc2s1 32976308 UVVRWLKLKMLXGH-UHFFFAOYSA-N 397.431 4.872 0 40 GJAB Cc1cccc(C(=O)Nc2c(C(=O)N3CCC(C)CC3)[nH]c3ccccc23)c1 33287846 BFXZWURSIVQDLF-UHFFFAOYSA-N 375.472 4.601 0 40 GJAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C 34650426 SDQNQTAIUAGGQL-RFXJPFPRSA-N 383.576 4.859 0 40 GJAB O=C1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccc3ccccc3c21 39226873 CJDFNWDJTQEIHG-UHFFFAOYSA-N 375.443 4.979 0 40 GJAB Cc1csc(=O)n1CC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 40157048 VWJVRWZFPNSKKB-UHFFFAOYSA-N 392.402 4.543 0 40 GJAB Fc1ccccc1Nc1nn(CN(Cc2cccnc2)C2CC2)c(=S)s1 57406590 TWLHIYCTKJMQMN-UHFFFAOYSA-N 387.509 4.574 0 40 GJAB Cc1cc(C)c2cc(CNc3ccc(N4CCC(C)CC4)cc3)c(=O)[nH]c2c1 57712765 VAJCDUNPZVLRRR-UHFFFAOYSA-N 375.516 4.993 0 40 GJAB COc1cccc(CNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)c1 57761924 HUGMJTNTEMDHCV-UHFFFAOYSA-N 391.862 4.808 0 40 GJAB CCOc1ccc(/C=C/C(=O)Nc2cccc(CN3CCSCC3)c2C)cc1 58107127 FONSJTUKZYBHBP-FMIVXFBMSA-N 396.556 4.594 0 40 GJAB Cn1cnc2cc(C(=O)O)c(Nc3ccc(Br)cc3Cl)c(F)c21 61997429 QQHULLIBIZAPOW-UHFFFAOYSA-N 398.619 4.570 0 40 GJAB CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(C)cc4)ccn3n2)cc1Cl 64774982 SVRGHEWHZIWQQH-UHFFFAOYSA-N 393.874 4.572 0 40 GJAB Cc1nc(C)c([C@H](C)NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)s1 70039086 KZMRMOQSPYSIHB-LBPRGKRZSA-N 376.551 4.627 0 40 GJAB Cc1ccc(C2=NN(C(=O)CSc3ccc(O)cc3)[C@@H](c3ccco3)C2)cc1 71942975 MYVLXPXPLWLLBB-HXUWFJFHSA-N 392.480 4.764 0 40 GJAB Cc1noc(Cc2ccccc2NC(=O)Cc2ccc(SC(C)C)cc2)n1 96097067 KJTQBGRLEAPTSR-UHFFFAOYSA-N 381.501 4.651 0 40 GJAB O=C(Nc1c(NC2CCCC2)c2ccccc2oc1=O)c1c(F)cccc1F 101095305 RTDLFGCNSWGGDU-UHFFFAOYSA-N 384.382 4.678 0 40 GJAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 103716761 MBIKYOSKMDRKIU-QGZVFWFLSA-N 394.515 4.601 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)CSc3nc4ccccc4s3)s2)cc1 107293755 SVPDBCABLCRSCA-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB Cc1nc(S[C@H](C(N)=O)c2ccccc2)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 107488942 MSZQWYFHIPGFAE-JVJLKXRTSA-N 383.561 4.816 0 40 GJAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccnc3)n2C)cc1 107804546 VJDUYVYVIVHBKD-BZZOAKBMSA-N 385.492 4.865 0 40 GJAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(-c2cc3ccccc3o2)cc1 169678599 ZPRFWGVOJIMMSJ-SYNBWIPHSA-N 381.431 4.657 0 40 GJAB CN(CCNC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 219844319 MLWIMPIYHBGINE-UHFFFAOYSA-N 394.902 4.785 0 40 GJAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 224077458 OIPQVRCKNUUPDN-CEZZIEKDSA-N 388.467 4.545 0 40 GJAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 224540696 HBQGAGXTCSRENH-HSZRJFAPSA-N 394.559 4.507 0 40 GJAB O=C(NC1CC1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224948889 GVVJZOSJCZOLEI-UHFFFAOYSA-N 383.245 4.663 0 40 GJAB COc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)c(OC)c1 225298760 XXSOCMFQYFNEMI-UHFFFAOYSA-N 396.965 4.577 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225808246 GIMWXXZXEXYQDK-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21)c1ccccc1 409368807 NWWLTPBPEXNVKR-QCFAMHMHSA-N 375.855 4.735 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1ccc(F)cc1Cl 585148316 YEBGNSFVQFQBNT-ZDUSSCGKSA-N 381.881 4.733 0 40 GJAB Cc1sc(C2(NCc3cc4n(n3)CCCC4)CCC2)nc1-c1ccccc1F 649618713 LBCAYHZBRCGPRM-UHFFFAOYSA-N 396.535 4.959 0 40 GJAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccc2ncsc2c1 675008409 WSECTJHEXJLARZ-AWEZNQCLSA-N 386.523 4.550 0 40 GJAB CC(C)(C)OC(=O)N1CCC[C@@H]1CCc1cccc(-c2cnc3ccccn23)n1 2037838520 LLLATPIGHGBYRS-GOSISDBHSA-N 392.503 4.728 0 40 GJAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(C)c(Cl)c1 949615 VUQNXAKUGISGOG-UHFFFAOYSA-N 398.846 4.904 0 40 GJAB Cc1nc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)sc1C 1342509 HZDZDEFIKBTTEQ-UHFFFAOYSA-N 386.546 4.731 0 40 GJAB CCc1ccc(OCCCC(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 1773864 AJJOCPCGXPTMIY-UHFFFAOYSA-N 392.451 4.609 0 40 GJAB Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1Cl 1789714 YEFDRIZPPPTOQH-UHFFFAOYSA-N 385.707 4.911 0 40 GJAB CN1c2ccccc2S[C@@]12C(=O)N(c1ccccc1)C(=O)N2c1ccccc1 2026299 LLZPZOAWIKFTNX-QFIPXVFZSA-N 387.464 4.556 0 40 GJAB O=C(CN1CCc2ccccc21)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2238625 ZOKYESOOJIBTRG-UHFFFAOYSA-N 390.870 4.572 0 40 GJAB Cc1ccc2nc(NC(=O)CSc3nccn3-c3ccccc3)sc2c1 2722999 HYIKIABJHVOXSI-UHFFFAOYSA-N 380.498 4.521 0 40 GJAB O=C(O)CSc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3269682 BAVKVEHMBFINGY-UHFFFAOYSA-N 376.890 4.677 0 40 GJAB Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)N2CCc3ccccc32)s1 3398641 WDHOUUXXCPGFII-CQSZACIVSA-N 396.541 4.660 0 40 GJAB O=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1cccc(C(F)(F)F)c1 4598816 UWDUCFSZPZHVSY-UHFFFAOYSA-N 394.437 4.509 0 40 GJAB CC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1ccc(Cl)cc1 4771822 VGIATIUWQYGRPV-IBGZPJMESA-N 384.871 4.746 0 40 GJAB CC(C)c1ccc(Cn2c(CCNC(=O)c3ccco3)nc3ccccc32)cc1 5235802 HIUNNCSLQZBNPR-UHFFFAOYSA-N 387.483 4.774 0 40 GJAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc3ccccn23)c2ccccc2)c1 6114711 CKXSAYQGSDIQHU-FQEVSTJZSA-N 388.496 4.818 0 40 GJAB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)c2C)cc1 6329525 HNKSPWWQZVPACA-WOXDNKSESA-N 391.515 4.705 0 40 GJAB COc1cc(CN(Cc2ccco2)C(=O)Nc2ccccc2)cc(OC)c1OC 6421622 BBRYDDQZIDYHDB-UHFFFAOYSA-N 396.443 4.540 0 40 GJAB COc1ccc(-n2c(C)cc(/C=N\Nc3ccc(Cl)c(C(=O)O)c3)c2C)cc1 6961847 JEPMVVNULMBHAA-FMCGGJTJSA-N 397.862 4.900 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)c1C 7929050 XLGJBWAKXGTXEU-FQEVSTJZSA-N 385.463 4.929 0 40 GJAB Cc1ccccc1NC(=O)CNc1ccc(Br)c(C(F)(F)F)c1 7976683 DQWKJCABBSNBBQ-UHFFFAOYSA-N 387.199 4.827 0 40 GJAB CC(C)n1ncc2c(C(=O)Nc3nc4ccc(F)cc4s3)cc(C3CC3)nc21 7989720 LXPKFFKDVBCBGN-UHFFFAOYSA-N 395.463 4.891 0 40 GJAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cscn2)cc1 8192019 KWXOQCZLCYMXSC-UHFFFAOYSA-N 382.489 4.746 0 40 GJAB COc1ccc(OCCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 8231985 JDUPTQGIUFKLTK-IBGZPJMESA-N 396.512 4.828 0 40 GJAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4c(C)cc(C)cc4C)ccc1c23 8715470 JJAAXYHAOXAARJ-UHFFFAOYSA-N 394.496 4.546 0 40 GJAB Cc1ccc2nc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)sc2c1 11429285 USDNERFEONPQHG-UHFFFAOYSA-N 381.432 4.970 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)no2)cc1F 11916797 KTGDUEIJDUIYBT-UHFFFAOYSA-N 375.197 4.804 0 40 GJAB COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3Cl)n2)c(OC)c1 12787261 RCNFANWOJIVOFD-UHFFFAOYSA-N 392.839 4.872 0 40 GJAB COc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc(Cl)c1OC 12875642 RJYXRNONRGTZBR-KRWDZBQOSA-N 380.271 4.892 0 40 GJAB CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(Cl)c1 14161066 OBNYAIAIBVXUHX-UHFFFAOYSA-N 398.812 4.848 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14796067 BBZUUHFEZLIQAL-KRWDZBQOSA-N 396.531 4.920 0 40 GJAB Cc1ccc(C(=O)N2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)cc1 19135178 AQIDQXSGPPNZPJ-UHFFFAOYSA-N 398.466 4.613 0 40 GJAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 19683141 FYWMHOUXOQMPCP-UHFFFAOYSA-N 396.874 4.685 0 40 GJAB CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1C 20112615 WMTOVDAAUWPHES-KRWDZBQOSA-N 394.515 4.656 0 40 GJAB O=C(c1cccc(Cl)c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 20530707 SSLBZUDCISCQHK-UHFFFAOYSA-N 388.898 4.868 0 40 GJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 20609897 XWNAVAXMCKXIEK-MRXNPFEDSA-N 386.455 4.850 0 40 GJAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccccc1Oc1ccccc1Cl 21707183 YKUIWPJWRSPGFV-UHFFFAOYSA-N 394.814 4.679 0 40 GJAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(F)c(F)c1F 22245622 XMNSIAIKWYGWRZ-UHFFFAOYSA-N 377.391 4.889 0 40 GJAB O=C(Nc1ccccc1)c1cc(C(F)(F)F)cc(C(=O)Nc2ccccc2)n1 22996517 YGQBVZSDTJSXSK-UHFFFAOYSA-N 385.345 4.605 0 40 GJAB Cc1nn(C)c2ncc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc12 24032637 CRWDIKCXBSROTA-HXUWFJFHSA-N 388.496 4.749 0 40 GJAB COc1ccccc1CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 25048645 WEKBSSAMCURNGM-UHFFFAOYSA-N 375.428 4.520 0 40 GJAB O=S(=O)(c1ccc(-c2csc(-c3ccccc3)n2)cc1)N1CCCCC1 27020407 PRMSGSUFNKHWPF-UHFFFAOYSA-N 384.526 4.652 0 40 GJAB O=C(CSc1nnc(-c2ccc[nH]2)o1)c1ccc(Oc2ccccc2)cc1 31617828 CEUUEJXLNCQZNU-UHFFFAOYSA-N 377.425 4.832 0 40 GJAB COC(=O)c1ccc([C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)o1 31845431 HRSLIHSARVMIBB-VIFPVBQESA-N 382.363 4.882 0 40 GJAB COCCn1c(C)c(C)n(CN(C)Cc2ccc3cc(OC)ccc3c2)c1=S 32935494 JUNDJFMVUKHSDB-UHFFFAOYSA-N 399.560 4.534 0 40 GJAB COc1ccc(Cl)cc1COC(=O)Cc1csc(-c2cccc(F)c2)n1 36648323 CFEVWBDPLDONCY-UHFFFAOYSA-N 391.851 4.897 0 40 GJAB Fc1ccc(-c2noc(CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 41154606 HTIQOGOROSPSFR-UHFFFAOYSA-N 384.798 4.754 0 40 GJAB Cc1nc(CSCC(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)cs1 46934574 HZVXOLCSGJXQJK-HNNXBMFYSA-N 389.590 4.555 0 40 GJAB Cc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCCC[C@H]3C)cnc2n1 49005318 UKSUWWNAYYCMKN-CQSZACIVSA-N 396.441 4.975 0 40 GJAB CC(C)[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1ccc(F)cc1 57614122 UVOAHZDSQFHIHG-NRFANRHFSA-N 395.526 4.967 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)c(C)c1 59227394 LEDCKJGBULTHBR-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB Cc1ccc(-c2nc(COC(=O)c3cc4sc(N(C)C)nc4s3)co2)cc1 62279228 PMYGCBSRCAWFIL-UHFFFAOYSA-N 399.497 4.744 0 40 GJAB CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1cn2cc(Cl)ccc2n1 64398245 UPODRTRTIHRCFM-UHFFFAOYSA-N 382.773 4.577 0 40 GJAB CCc1ccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)cc1 67290060 PJAMLKZCCWIRIJ-UHFFFAOYSA-N 394.525 4.751 0 40 GJAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2Cc3ccccc3-c3ccccc3C2)cc1 69926249 SSUIHCPMYLKPGD-QGZVFWFLSA-N 384.479 4.899 0 40 GJAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](c2cccc(-c3cccs3)n2)C1 72350724 DUZGOSJATJNPMS-INIZCTEOSA-N 388.496 4.706 0 40 GJAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)c1 72380251 KZPSMUDPNREFKW-IBGZPJMESA-N 381.863 4.716 0 40 GJAB CCCCc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1 95067944 NPJKZJGCYZYWRE-UHFFFAOYSA-N 386.286 4.732 0 40 GJAB CC(C)OCCSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 96506619 FVBMCDSVWSFHFP-XMHGGMMESA-N 384.476 4.728 0 40 GJAB COc1ccc(CN[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1Br 98081557 SEDAIMYOSROSQZ-GOSISDBHSA-N 388.309 4.821 0 40 GJAB CCOC(=O)C1=C(C)N2C(c3ccccc3)=CSC2=N[C@@H]1c1ccccc1 101405367 PZOODMYBKXEFPL-HXUWFJFHSA-N 376.481 4.982 0 40 GJAB Cc1cc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc(C)c1Br 218838479 RRLKQYNLCQBMAM-INIZCTEOSA-N 390.321 4.582 0 40 GJAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)c1ccccc1 219560788 PKYKAZOZSCTRBK-HXUWFJFHSA-N 389.451 4.722 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cc2)n1 223006443 XAECHBJKRRMDRM-LJQANCHMSA-N 387.527 4.918 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1C 223013732 UPJSZJGDQTUWGE-SFHVURJKSA-N 375.852 4.540 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccc(OC)cc1 223025959 YFNSQVVTWTWWKO-FQEVSTJZSA-N 375.896 4.563 0 40 GJAB Fc1ccc(CCCNC(=S)Nc2ccc(N3CCCCCC3)nc2)cc1 223969583 YIDIFBMNHUMWIL-UHFFFAOYSA-N 386.540 4.520 0 40 GJAB O=C(COc1cccc2ccccc12)NCc1cccc(CN2CCCCC2)c1 224675276 DQVHRILFGARRBP-UHFFFAOYSA-N 388.511 4.521 0 40 GJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225840693 VKYZEQXXKNJBGO-JOCHJYFZSA-N 393.524 4.820 0 40 GJAB COCCOc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1C(F)(F)F 225957217 ZEWHBFDZXBDIEY-UHFFFAOYSA-N 381.394 4.647 0 40 GJAB COC(=O)c1ccc(C)c2c1[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 248340242 UMNWMOJSCNBEMB-ZSZPTSAKSA-N 391.467 4.776 0 40 GJAB CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 257173716 VOGZOQZBHKOREB-CWFSZBLJSA-N 384.545 4.600 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(F)cc2)cc1 408697944 KFJSROWSGGYPAH-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB COc1ccc(C(=O)CCCCC(=O)Nc2ccc(-c3cnco3)cc2)cc1 544739433 CPCVDQRXRAXSSU-UHFFFAOYSA-N 378.428 4.732 0 40 GJAB CSCCc1ccccc1NC(=O)c1sc([C@H]2CCCOC2)nc1C 601721339 IJWWYQZWMUXOOP-HNNXBMFYSA-N 376.547 4.503 0 40 GJAB O=C1CN(C(=O)c2cccs2)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 1509679 BXTFNPVDWVSTJY-IBGZPJMESA-N 382.872 4.585 0 40 GJAB O=c1oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2c2c1CCC2 1799809 OMHCIHAZJOXWKB-UHFFFAOYSA-N 382.284 4.556 0 40 GJAB COc1ccc(Cc2nnc(NC(=O)c3ccc(C(C)C)cc3)s2)cc1OC 2344186 FPKNYTPJNIXLOO-UHFFFAOYSA-N 397.500 4.522 0 40 GJAB O=C(/C=C/c1ccc(Br)o1)OCc1cnc(-c2ccccc2)s1 3306688 HKRVGDZLBPJIOU-VQHVLOKHSA-N 390.258 4.922 0 40 GJAB CCCCNC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3376619 CMKMHAJPBBKDAZ-UHFFFAOYSA-N 396.874 4.628 0 40 GJAB CCCC[C@H](CC)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 3991750 HEWZIANOBHPGOO-KRWDZBQOSA-N 388.533 4.951 0 40 GJAB Cc1oc2cc3oc(=O)c(CC(=O)NC(C)C)c(C)c3cc2c1-c1ccccc1 4089348 BVNVOVMMFZWEJQ-UHFFFAOYSA-N 389.451 4.890 0 40 GJAB biogenic O=S(=O)(c1ccccc1)N1CC[C@@]2(Cl)CCCC[C@@H]2[C@@H]1c1ccccc1 4538321 OMYLBMBYGSSHCP-HKBOAZHASA-N 389.948 4.990 0 40 GJAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 4696101 PMMDWJASKGXYKU-DEOSSOPVSA-N 396.446 4.950 0 40 GJAB COc1ccc(-c2nc3ccccn3c2NC(=O)c2ccc(Cl)cc2)cc1 4746150 MNFICEMUBWSFSV-UHFFFAOYSA-N 377.831 4.916 0 40 GJAB CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C(=O)OC)c3ccccc3)c12 4747480 JTRKEVHREKROPX-QFIPXVFZSA-N 380.440 4.737 0 40 GJAB COc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3ccccc32)c1 4937196 TWPUPAXFVAEOSF-UHFFFAOYSA-N 383.447 4.598 0 40 GJAB O=C(COC(=O)c1c(F)cccc1Cl)NC(c1ccccc1)c1ccccc1 5109794 ZSUGOXGZUIHDDF-UHFFFAOYSA-N 397.833 4.542 0 40 GJAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc(Cl)cc(Cl)c1)CC2 5354617 BMBTZBNBINSPFU-LLVKDONJSA-N 380.271 4.770 0 40 GJAB CN(C)P(=NC(=S)N1CCCCC1)(N(C)C)C12CC3CC(CC(C3)C1)C2 5445408 FNHSTUZWPSGWFM-UHFFFAOYSA-N 396.585 4.880 0 40 GJAB CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl 6006917 GZWSSAURCTWWKA-MDZDMXLPSA-N 387.863 4.551 0 40 GJAB CCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2-c1cccc(Cl)c1 6387333 LHGQFFSKCWAGDG-UHFFFAOYSA-N 392.846 4.621 0 40 GJAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc2ccccc2o1 6479962 OMTRXAKTQPDICN-UHFFFAOYSA-N 398.875 4.613 0 40 GJAB COc1ccc(/C=C(/c2nc(-c3ccc(O)cc3)no2)c2nc(C)cs2)cc1 6589997 QMHXNBXMELIGBQ-WQRHYEAKSA-N 391.452 4.805 0 40 GJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(CC)cc1 6752983 ROWZOLYLKCJFJL-JOCHJYFZSA-N 375.472 4.690 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O 6879202 KCXVHGPJECAWNF-XDHOZWIPSA-N 378.453 4.584 0 40 GJAB COc1ccc(CNCc2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 7538344 CPZYQDSXCFXEOS-UHFFFAOYSA-N 381.447 4.712 0 40 GJAB COc1cc(CSc2nnc(-c3cccc(C)c3)n2C)ccc1OC(F)F 8724116 WJGYXQHQCZCTEV-UHFFFAOYSA-N 391.443 4.693 0 40 GJAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N(Cc1ccc(F)cc1)C1CC1 8924224 WDUFHVKZBFLYNJ-UHFFFAOYSA-N 384.451 4.822 0 40 GJAB Cc1cc(OCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc(C)c1Cl 9250935 JYIGYHIEERNXMM-UHFFFAOYSA-N 398.890 4.883 0 40 GJAB C[C@H](C(=O)NCCc1ccccc1)n1c(COc2ccccc2)nc2ccccc21 9366020 GNXYOWLDIXUEOX-LJQANCHMSA-N 399.494 4.535 0 40 GJAB CC[C@@H](C)NC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12231677 DAJYTLSVCHKLIG-MRXNPFEDSA-N 387.470 4.886 0 40 GJAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1C(C)C 12575454 LKXKKQVQXYVZGQ-SFHVURJKSA-N 377.488 4.560 0 40 GJAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12611908 JDONHASJWHGJKT-GOSISDBHSA-N 375.403 4.939 0 40 GJAB Cc1ccccc1[C@H](C)N[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12945568 AJXBUIBBQLZNBW-UONOGXRCSA-N 379.485 4.965 0 40 GJAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1 14401735 GBYKNNWSSKSADV-SNVBAGLBSA-N 384.657 4.517 0 40 GJAB O=C(COc1ccc2ccccc2c1)NCCCCOc1ccc(Cl)cc1 14701689 YLMNSACMRFWUMG-UHFFFAOYSA-N 383.875 4.847 0 40 GJAB COc1cccc(CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)c1 15941039 FRSNDPXZNOWUIX-UHFFFAOYSA-N 384.888 4.825 0 40 GJAB CC(C)c1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)cc1 17113652 RNGMHYLZCRFBOF-UHFFFAOYSA-N 386.521 4.512 0 40 GJAB CN(C)CCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 20477612 GNWXHGMSOFHVOQ-UHFFFAOYSA-N 376.331 4.648 0 40 GJAB Cc1sc(-n2cccc2)c(C(=O)NCc2coc(-c3cccs3)n2)c1C 22468237 OXHIJTBBWSQYKM-UHFFFAOYSA-N 383.498 4.802 0 40 GJAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 22532570 AJOSOODHOWCSNO-QGZVFWFLSA-N 382.323 4.515 0 40 GJAB Cc1ccc(C)c(C(=O)N(CCn2cccn2)c2nc3c(F)cccc3s2)c1 23144908 IHLPPPHSPZTHDE-UHFFFAOYSA-N 394.475 4.596 0 40 GJAB CCCCOc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1 27794436 SCSLDPQGAQEDQH-QHCPKHFHSA-N 380.532 4.741 0 40 GJAB COc1cccc([C@@H]2CC(O)=Nc3nc(N)sc32)c1OCc1cccc(F)c1 32074630 JUGHMLFOHALAHG-AWEZNQCLSA-N 399.447 4.576 0 40 GJAB COc1ccc([C@@H]2CCCN2C(=O)c2cccc3c2O[C@H](C)[C@H]3C)c(OC)c1 32820740 PGSVYBCZVHIZRM-SXGZJXTBSA-N 381.472 4.566 0 40 GJAB O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc12)NCc1ccccc1 32985789 PZLABQRNFYSGKL-UHFFFAOYSA-N 386.426 4.736 0 40 GJAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 40081009 MROGHNCIMQZDQX-IRXDYDNUSA-N 392.421 4.677 0 40 GJAB O=C(Nc1cccnc1N1CCCC1)N[C@H](c1ccccc1)c1cccs1 48172270 BWQQOEPZSDMKEN-LJQANCHMSA-N 378.501 4.654 0 40 GJAB Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCC[C@H]3C)c2c1 49699182 UGDMQTRZGCCDBK-QGZVFWFLSA-N 380.513 4.755 0 40 GJAB O=c1[nH]c(Cc2ccc(C(F)(F)F)cn2)nc2scc(-c3cccs3)c12 54751788 HJTIXQMLMQWVMT-UHFFFAOYSA-N 393.415 4.718 0 40 GJAB Oc1ccc(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)c(O)c1 58244728 YEQJMZJYAZMNNL-UHFFFAOYSA-N 392.267 4.767 0 40 GJAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(Cl)o1)OCCO3 70038015 VWWQEMZIRHETDC-CYBMUJFWSA-N 387.863 4.733 0 40 GJAB Brc1cccc(C2(c3nc(Cc4ccccc4)no3)CCOCC2)c1 71890025 OZIKEDOXRYDXAH-UHFFFAOYSA-N 399.288 4.519 0 40 GJAB N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl 72227828 CNRKGSCIISQDGE-ZIAGYGMSSA-N 376.070 4.715 0 40 GJAB Cc1ncsc1C(=O)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72349851 JUNFLYNWXLCGKV-UHFFFAOYSA-N 395.503 4.596 0 40 GJAB Fc1cccc(CN2CC[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1 72369967 HIILOTCVBLTGSW-HNNXBMFYSA-N 391.368 4.884 0 40 GJAB CSc1cccc(NC(=O)CN(C)c2nc3c(Cl)cccc3s2)c1 77196774 VKTBNNKMJGCIEY-UHFFFAOYSA-N 377.922 4.747 0 40 GJAB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc3c(c2)OCCO3)S1 85412253 KVCKTHSCGFZRQT-IBGZPJMESA-N 399.516 4.729 0 40 GJAB Cc1ccc(C)c(OCCc2nnc(NC(=O)c3ccccc3Cl)s2)c1 95116421 CQFQEYGNKIXTAB-UHFFFAOYSA-N 387.892 4.682 0 40 GJAB CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1cccc(NC(=O)NC2CC2)c1 95958909 CRBZKDCAQXQHQG-NRFANRHFSA-N 394.519 4.509 0 40 GJAB Cc1sc(NC(=O)c2ncoc2[C@H]2CCCO2)nc1-c1ccc2c(c1)CCC2 95962516 FJAXRWWBUNCNAY-MRXNPFEDSA-N 395.484 4.699 0 40 GJAB Brc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@H](c1ccncc1)O2 102726014 OECXDQQNWHIUCS-LPHOPBHVSA-N 396.244 4.679 0 40 GJAB COc1ccc(OC[C@@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 219127220 FSWVGXIMQIOHEH-LJQANCHMSA-N 389.495 4.801 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223046996 XFZULKAXNPSUJF-OAHLLOKOSA-N 387.892 4.963 0 40 GJAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)c1 224241925 CBGHOQBCGQUVMH-NHCUHLMSSA-N 376.529 4.950 0 40 GJAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C 224429740 LRQPVCFFWHSGQB-SFTDATJTSA-N 394.519 4.836 0 40 GJAB COc1ccc(-c2nnc(NC(=O)c3ccccc3SC(C)C)s2)cc1 225846266 PRNMCZDXRDZFQD-UHFFFAOYSA-N 385.514 4.967 0 40 GJAB COC(=O)c1cc(NC(=S)NC2(c3cccs3)CCCC2)ccc1Cl 225861568 CPBUSTWDGOBBKX-UHFFFAOYSA-N 394.949 4.944 0 40 GJAB Nc1nc2c(Br)cc(NC(=O)c3ccccc3Cl)cc2s1 226310516 WXUABIGDRPBBMU-UHFFFAOYSA-N 382.670 4.547 0 40 GJAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)[C@@H]3CC34CCC4)CC2)n1 257262410 LLHCWRZVAKNRNF-IBGZPJMESA-N 394.494 4.564 0 40 GJAB COC(=O)c1ccc2c(c1)[C@H]1O[C@H]3CCc4ccccc4[C@@H]3C[C@@H]1C(C)(C)O2 257317824 VLICPEWGABRVQW-WCCBULMPSA-N 378.468 4.820 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCCC1 260814660 MDPDBGFGXVIWJR-LJQANCHMSA-N 388.552 4.618 0 40 GJAB CCCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1OC 408626188 ZZGSPFMEMXVAEV-UHFFFAOYSA-N 382.229 4.638 0 40 GJAB O=C(Cc1ccccc1)NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1 408627617 MNHZPUUSPNSPRV-UHFFFAOYSA-N 396.324 4.659 0 40 GJAB CCOc1ccc2cc(C(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)[nH]c2c1 513550734 MFTNZDRIECSXKX-KRWDZBQOSA-N 380.410 4.761 0 40 GJAB CC(C)(C)OC(=O)COc1cccc(C(=O)Nc2cccc(C(F)F)c2)c1 597057871 PZLRSJQBUWTVHD-UHFFFAOYSA-N 377.387 4.597 0 40 GJAB Cc1nccn1-c1ccc([C@@H](C)NC(=O)NC2CCC3(CC2)CC3(F)F)cc1 664372769 JBTOQWLPFSAASK-FNMUINPESA-N 388.462 4.509 0 40 GJAB Fc1cc(OCOc2ccc(F)c(Br)c2)ccc1Br 2362803842 RYCNFAXZLNJVQJ-UHFFFAOYSA-N 394.009 4.905 0 40 GJAB CNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@H](C(C)(C)C)C2 643890 STLLNDVIFNBFNU-LBPRGKRZSA-N 388.508 4.650 0 40 GJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc3ccccc23)n1C 869066 XSJIRLXRPIXNNO-UHFFFAOYSA-N 388.496 4.675 0 40 GJAB Cc1ccc(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)c(C)c1 911076 IPKDIPVXHDLAEQ-AWEZNQCLSA-N 377.724 4.903 0 40 GJAB Cc1cc(Cl)ccc1OC(=O)c1cc2cc(Br)ccc2oc1=O 946441 CAEZEQXWMCEPMR-UHFFFAOYSA-N 393.620 4.737 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCCC2 2086545 XSOYSOLBHYIPJD-SJORKVTESA-N 383.513 4.936 0 40 GJAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1cccc(C(F)(F)F)c1 2316843 XCWHGBXXPFNNAB-UHFFFAOYSA-N 394.324 4.755 0 40 GJAB Cc1cc(C)c(NC(=O)COC(=O)c2cccc3c2C(=O)c2ccccc2-3)c(C)c1 2700787 RZCYEVHJXKETMB-UHFFFAOYSA-N 399.446 4.619 0 40 GJAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(F)cc1Cl 3249461 VFEXDMOAHHWMSV-UHFFFAOYSA-N 384.842 4.716 0 40 GJAB Cc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1Br 3562221 FWCACWKQUILNJV-UHFFFAOYSA-N 383.083 4.701 0 40 GJAB COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1C[C@@H](C(C)(C)C(C)C)C[C@H](C)C1=O 4061926 JQRKTVYMLPNBDE-XASIKMQRSA-N 388.504 4.829 0 40 GJAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccccc1Cl 4150927 NSHUBDIRFIHKCL-UHFFFAOYSA-N 380.256 4.676 0 40 GJAB CCCc1cc(=O)oc2cc(O[C@@H](C(=O)OC)c3ccccc3)c(Cl)cc12 4747490 GABIDEINFBYANH-HXUWFJFHSA-N 386.831 4.692 0 40 GJAB CC[C@@]1(CCC(C)C)C(=O)N=C(Nc2ccccc2)N(c2ccccc2)C1=O 4822848 PLKSEIPDWSIOCS-HSZRJFAPSA-N 377.488 4.861 0 40 GJAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc3ccccc23)o1 4927681 XAUKBJGKCOGZLA-UHFFFAOYSA-N 375.453 4.929 0 40 GJAB O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)[C@@H](c2cccnc2)N1 5600600 MIQSZALNOCTEQE-HSZRJFAPSA-N 378.435 4.552 0 40 GJAB CCOc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1Br 5671753 PUZYXMKYJRRBTJ-UHFFFAOYSA-N 395.253 4.849 0 40 GJAB COc1ccc(C)cc1NC(=O)[C@H](Oc1cccc(C(C)=O)c1)c1ccccc1 7436218 WFYVTGYPSKHNBL-HSZRJFAPSA-N 389.451 4.965 0 40 GJAB Cc1cccc(C)c1OC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7928810 LLLPPLURFNIXKZ-ZDUSSCGKSA-N 378.255 4.569 0 40 GJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ncccn1 8120336 GCWXDNUBOYSYDH-UHFFFAOYSA-N 375.863 4.619 0 40 GJAB O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1cccc(Cl)c1 8708965 YEWVITNOBGUFEB-UHFFFAOYSA-N 395.768 4.980 0 40 GJAB O=C(/C=C/c1ccc2c(c1)OCCO2)OCc1cc(-c2ccc(Cl)cc2)no1 9252966 ZEMZJFKLSKFFRK-KRXBUXKQSA-N 397.814 4.523 0 40 GJAB CCCn1c(C)cc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)c1C 10892606 HSTHYFZQVZYNOY-UHFFFAOYSA-N 383.473 4.619 0 40 GJAB CCOc1ncc(Cl)cc1C(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188227 VZNRWZIJBDKBEP-QGZVFWFLSA-N 395.890 4.702 0 40 GJAB COc1ccc(CC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1OC 12567915 YSPQDEFPWWVAGX-UHFFFAOYSA-N 388.876 4.662 0 40 GJAB C[C@@H](NC(=O)CN(C)Cc1cccc(F)c1)c1ccc(-c2ccccc2)cc1 12692091 OSDHJYNXFKBBSR-GOSISDBHSA-N 376.475 4.802 0 40 GJAB C[C@H](NCc1ccccc1CN1CCCC1)C(=O)Nc1cccc2ccccc12 12872272 VGTPNPCGKPJDOH-IBGZPJMESA-N 387.527 4.552 0 40 GJAB CC[C@@H](C)c1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1 12995808 PRBZQKTYIANYGR-CYBMUJFWSA-N 395.528 4.558 0 40 GJAB COc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1OC(F)F 13004803 KWXHSOPCYLILKG-UHFFFAOYSA-N 392.185 4.864 0 40 GJAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc2cc(Cl)ccc2o1 13628715 HZAKIKMKSBOJBM-UHFFFAOYSA-N 388.210 4.720 0 40 GJAB COc1cccc(C2=NN3[C@H](c4cccc(OC)c4)Oc4ccccc4[C@H]3C2)c1 13776577 ACOVWVRQYXXCPT-VWNXMTODSA-N 386.451 4.946 0 40 GJAB COc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)cc1 14104827 VCBHODMFHKUIAW-UHFFFAOYSA-N 379.441 4.829 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 14796196 WTVWSNPVGWMCOY-LBPRGKRZSA-N 395.286 4.539 0 40 GJAB COc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1cccc(C)c1 16349353 HTDMAMVRNZMANM-UHFFFAOYSA-N 391.467 4.571 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OC(C)C)c(OC)c1 20457673 XTUBLVZBQAAFAR-IBGZPJMESA-N 385.504 4.573 0 40 GJAB Cc1cccc(-c2nn3c(=O)cc(COc4ccc(Cl)cc4C)nc3s2)c1 20859091 QVTWXQKIWRZYCR-UHFFFAOYSA-N 397.887 4.667 0 40 GJAB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 21801688 WMQKPQYCJWVWNG-UHFFFAOYSA-N 375.382 4.630 0 40 GJAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc2nc(C)sc2c1 22255213 XHJHRYBRUFQKRL-UHFFFAOYSA-N 376.503 4.538 0 40 GJAB COC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 22514660 OBPZGQWUNAKZKS-UHFFFAOYSA-N 384.284 4.652 0 40 GJAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cccnc1OCC(F)(F)F 24859329 UNEOVDHDDFYGNV-UHFFFAOYSA-N 397.353 4.538 0 40 GJAB COc1ccc(CN(C(=O)c2ccc(OC(C)C)cc2)c2ccccn2)cc1 27744972 HRUXADAEDRTTRC-UHFFFAOYSA-N 376.456 4.724 0 40 GJAB COc1cccc([C@H]2CC(O)=Nc3nc(N)sc32)c1OCc1cccc(F)c1 32074632 JUGHMLFOHALAHG-CQSZACIVSA-N 399.447 4.576 0 40 GJAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(F)c1 32104469 ITAFZHMCNCGWDK-INIZCTEOSA-N 398.825 4.823 0 40 GJAB COc1cccc(-c2ccc(SCc3nc(-c4cccs4)no3)nn2)c1 33022016 HHNMJWOTBMEEIP-UHFFFAOYSA-N 382.470 4.556 0 40 GJAB Cc1ccc(-c2csnn2)cc1NC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 35316594 RMWZYAAFUZOYFO-CQSZACIVSA-N 396.516 4.905 0 40 GJAB COc1cc([C@@H]2CN(CCc3ccccc3)[C@H]3CCC[C@@H]32)cc(OC)c1OC 36719473 RAUKNZWEAAPBHW-HKBOAZHASA-N 381.516 4.523 0 40 GJAB O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCc1cccs1 38678436 CKDXZXXDISROGF-UHFFFAOYSA-N 390.464 4.606 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1nnc2n1CCCCC2 40030636 IVBXJDIKVZKRHM-OAHLLOKOSA-N 394.306 4.680 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2nccn2C)ccc1C(C)C 44369924 CBCDABIQNHXJFT-PGRDOPGGSA-N 391.515 4.525 0 40 GJAB CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2F)cn1 47325918 QZKASXZDISCGQR-UHFFFAOYSA-N 381.407 4.733 0 40 GJAB Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(N3CCSCC3)cc2C)c(C)c1 51186804 WAAPEWCUCSSSOV-LJQANCHMSA-N 397.588 4.913 0 40 GJAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccnc1SC1CCCC1 69950872 QBHRQWIGGDOLGI-LJQANCHMSA-N 399.560 4.666 0 40 GJAB CCn1ccnc1CN1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72358237 UXLFIHKRAZKJLF-NRFANRHFSA-N 380.923 4.879 0 40 GJAB O=C(CCc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72358649 ZATFKBCNQMTLGE-FQEVSTJZSA-N 389.474 4.622 0 40 GJAB CC(C)c1cc(C(=O)NCCc2c[nH]c3ccc(F)cc23)n(-c2ccccc2)n1 79491344 NEGAJIOUESHZIL-UHFFFAOYSA-N 390.462 4.589 0 40 GJAB Cc1ccccc1N(CC(=O)c1ccc(Br)cc1)C1=NCCS1 98027838 OZNTWQLJFGYKDW-UHFFFAOYSA-N 389.318 4.550 0 40 GJAB COc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)NCCCOCC(C)C)(C4)C2)C3)cc1 103900117 HIPUOXBJBBYQPW-SCAKWATOSA-N 399.575 4.712 0 40 GJAB Fc1cccc(-c2cnc(CNc3cccc(Cl)c3N3CCOCC3)o2)c1 177187790 HCYMNKJWGOEGAO-UHFFFAOYSA-N 387.842 4.583 0 40 GJAB O=C(Nc1ccc(Br)cc1)c1cnc(-c2ccc(Cl)cc2)nc1 222603646 NKCSPVIZBRYSQX-UHFFFAOYSA-N 388.652 4.812 0 40 GJAB COc1cc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)ccc1OC(C)C 223260073 BGCFBIWMFNSCLX-GOSISDBHSA-N 399.531 4.998 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1cccc2ccccc12 223552540 CXCPZOAABQUULB-NRFANRHFSA-N 377.484 4.809 0 40 GJAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cccc(C)c1 224107299 UDDSVBKPJHJEAH-UHFFFAOYSA-N 375.468 4.821 0 40 GJAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCCC2)c1 225328849 UMAMIYKDKNWEEZ-HKWRFOASSA-N 382.529 4.666 0 40 GJAB CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 242792943 FATSSNBZHYEKSN-UHFFFAOYSA-N 384.907 4.954 0 40 GJAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2C 257285827 PJAOZKJXKJQJHM-CVDCTZTESA-N 397.588 4.521 0 40 GJAB O=C(NC(=S)Nc1ccccc1S)c1cccc(OCc2ccccc2)c1 408617653 AVPBJWALPWIQAB-UHFFFAOYSA-N 394.521 4.681 0 40 GJAB O=C1N/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccccc1F 409072363 NDDDIAFXKOLZEX-KGENOOAVSA-N 388.398 4.711 0 40 GJAB COc1cc(C)c(NC(=O)N[C@@H](Cc2ccccc2)c2ncco2)c(C)c1C 654083096 DKYQCXUOKDWQBX-SFHVURJKSA-N 379.460 4.714 0 40 GJAB Cn1ncc(C(F)(F)F)c1CNCc1cnc(-c2ccc(Cl)cc2)s1 657460188 UCLSBBLLMMYURF-UHFFFAOYSA-N 386.830 4.506 0 40 GJAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C(=S)S2)cc1 1080636 FUGZKVACUPSEQW-QGZVFWFLSA-N 384.526 4.572 0 40 GJAB Cc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 1380676 SFDNJVHTPMBKSM-UHFFFAOYSA-N 377.492 4.732 0 40 GJAB Cc1cc(C)c(C(=O)c2ccccc2)c(OC(=O)c2c(F)cc(F)cc2F)n1 1391666 JXINLCUIEFMOJZ-UHFFFAOYSA-N 385.341 4.566 0 40 GJAB CC[C@H]1C(=O)OCc2c1cc1n(c2=O)[C@H](CC)c2c-1nc1ccccc1c2Cl 1768024 DMEFYKZHPYTSLZ-BDJLRTHQSA-N 394.858 4.580 0 40 GJAB CCOC(CSc1nc(SC)nc2sc3c(c12)CCCC3)OCC 2224001 VMEPERLHHJSIDN-UHFFFAOYSA-N 384.592 4.783 0 40 GJAB CCc1nc(SCC(=O)Nc2ccccc2F)c2oc3ccccc3c2n1 2453015 BBVIWPOMFAFCRZ-UHFFFAOYSA-N 381.432 4.808 0 40 GJAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]32)C1 3849691 WEMQGMZMEXLVDS-BZDFKLGJSA-N 378.553 4.950 0 40 GJAB CCOc1cccc2c1O[C@H](c1cccc(OC)c1)N1N=C(c3ccco3)C[C@H]21 4715668 RWFBLRXAVJDUKE-AUSIDOKSSA-N 390.439 4.929 0 40 GJAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccco4)=NN32)cc1 4715763 WKYZGWHPELJVNR-PGRDOPGGSA-N 376.412 4.539 0 40 GJAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccccc32)cc1 4784241 VEQQZGYSGAQWCE-AREMUKBSSA-N 399.490 4.565 0 40 GJAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1 4854438 XJAXMONLRVHUGQ-OAQYLSRUSA-N 397.425 4.802 0 40 GJAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 5015873 DUXAPPBPHONGNZ-UHFFFAOYSA-N 388.210 4.675 0 40 GJAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 5178194 QAKVVKVPFMQARF-UPVQGACJSA-N 386.451 4.946 0 40 GJAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc(C)nc2sc(C)c(C)c12 5428973 LUNZCWDQUYDJAF-GFCCVEGCSA-N 387.530 4.744 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 5702136 UFHKCOMXANKEHJ-OAHLLOKOSA-N 394.496 4.501 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OC(C)C)cc3)n2)c1 6261053 OUBGLLMEAUPTRC-UHFFFAOYSA-N 398.484 4.867 0 40 GJAB CCOc1cc(C(=O)Nc2cc(F)ccc2C)cc(Br)c1OC 6389145 CUMYATGKZSHXMB-UHFFFAOYSA-N 382.229 4.556 0 40 GJAB COc1ccc([C@H]2C=C(c3ccc4ccccc4c3)N=C3SCC(=O)N32)cc1 6793772 WWUYUNUPGMEILI-OAQYLSRUSA-N 386.476 4.876 0 40 GJAB Cc1cc(CSc2nc3ccccc3c(=O)n2[C@H](C)c2ccccc2)no1 7832725 XWFDCENZTSJOJB-OAHLLOKOSA-N 377.469 4.595 0 40 GJAB COc1ccc(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1F 7832816 OIUKCRJQAUBUNK-UHFFFAOYSA-N 376.478 4.739 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7882494 IUBPPZIRTNVEJD-FQEVSTJZSA-N 386.495 4.956 0 40 GJAB COc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 8194677 YAINHRKLGNFHGT-UHFFFAOYSA-N 392.421 4.886 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCC1CCCCC1 8518702 TXGJIDVFXVTATJ-NRFANRHFSA-N 398.934 4.898 0 40 GJAB Cc1ccc(-c2csc(=O)n2CC(=O)Nc2ccc(Cl)cc2Cl)cc1 8747964 HGFJAWROPADHDL-UHFFFAOYSA-N 393.295 4.831 0 40 GJAB CN(Cc1ccsc1)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 11710484 GLBYNPQHTUGICO-UHFFFAOYSA-N 375.453 4.737 0 40 GJAB CC(C)C[C@@H](NC(=O)Cc1ccccc1F)c1nc2cccnc2n1C(C)C 12114116 MHKPVTIZGYXKIY-LJQANCHMSA-N 382.483 4.597 0 40 GJAB COc1ccc([C@H](NC(=O)c2cc(C3CCCCC3)no2)c2ccncc2)cc1 12148481 GKWZFWMAILCGRT-QFIPXVFZSA-N 391.471 4.645 0 40 GJAB Nc1nc(SCC(=O)Nc2ccccc2)nc2scc(-c3ccccc3)c12 12323253 DRMLSBUZVAUXFC-UHFFFAOYSA-N 392.509 4.671 0 40 GJAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1 12416178 OORVBJAUAPTISU-AWEZNQCLSA-N 387.361 4.584 0 40 GJAB COc1cc(-c2csc(NCCc3cccs3)n2)cc(OC)c1OC 12903008 UMPILOXSLSPUHZ-UHFFFAOYSA-N 376.503 4.552 0 40 GJAB CC(=O)c1cccc(OCC(=O)N[C@H](c2ccc(C)cc2)c2cccs2)c1 12981755 ZUBMECPAHRQNDP-JOCHJYFZSA-N 379.481 4.544 0 40 GJAB CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)Cc3ccccc3F)cc2)C1 19711947 ZHRBKHHMFHCUMF-VWNXMTODSA-N 398.522 4.546 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@@H](C)Sc2ccccc21 22257561 PPBHOYLIHDWXRA-MRXNPFEDSA-N 391.540 4.949 0 40 GJAB O=C(CCc1ccsc1)N1CCc2[nH]c3ccc(Br)cc3c2C1 25549777 XSBZWJSWDHAFNY-UHFFFAOYSA-N 389.318 4.509 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3ccc(SC(F)F)cc3)no2)cc1 27580139 WAIMCEPGDJETPW-UHFFFAOYSA-N 376.384 4.917 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)N(C)C)cc1 28287567 KRDYRHBDESWBSP-MRXNPFEDSA-N 388.920 4.596 0 40 GJAB CC(C)(C)c1ccc(C2(C(=O)Nc3cccc(N4CCOC4=O)c3)CC2)cc1 31929653 DYUZHFAEDCVVTJ-UHFFFAOYSA-N 378.472 4.611 0 40 GJAB COc1ccccc1NC(=O)c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1 32643393 FTXJULNDFRTZEF-UHFFFAOYSA-N 384.439 4.559 0 40 GJAB CC[C@H](C(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1)c1ccccc1 32647535 BECJQIULYQOZRK-KRWDZBQOSA-N 387.842 4.844 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 32872071 QFNHBGJLMNVHIY-OAHLLOKOSA-N 397.906 4.780 0 40 GJAB C[C@@H](Oc1ccccc1)C(=O)N[C@@H](COc1ccccc1F)c1ccccc1 32936641 IJDBDGOBBFCPNZ-UTKZUKDTSA-N 379.431 4.530 0 40 GJAB Cc1c(Cl)cccc1Nc1c(-c2ccc(C(=O)O)cc2)nc2cnccn12 35616238 YOEYVFPPJICOGB-UHFFFAOYSA-N 378.819 4.800 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 38783368 FGCKNNNGFULVSJ-BXWFABGCSA-N 383.001 4.695 0 40 GJAB O=S(=O)(Nc1cccc(-c2nccs2)c1)c1cccc(Cl)c1Cl 40150884 LTMOOBHQVCGJII-UHFFFAOYSA-N 385.297 4.918 0 40 GJAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(Br)cc2)[nH]n1 44837406 XPBJGISYNGRPOK-UHFFFAOYSA-N 376.641 4.745 0 40 GJAB COc1ccc([C@H]2C[C@H](c3ccc(C(C)C)cc3)Nc3ncnn32)cc1OC 44859706 NILVFPRZURDMRP-RTBURBONSA-N 378.476 4.565 0 40 GJAB Cc1cccc(-c2nc(CSc3nc(O)cc(-c4ccncc4)n3)c(C)o2)c1 45924895 HXYLGVUYYQISKK-UHFFFAOYSA-N 390.468 4.808 0 40 GJAB COc1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)cc1OC(F)F 48354130 PHHZAMGXWHFTJZ-UHFFFAOYSA-N 376.384 4.672 0 40 GJAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(-c2csc(C)n2)s1 54362801 OEDXFRABZIDJTE-UHFFFAOYSA-N 378.544 4.704 0 40 GJAB CCOC(=O)C[C@@H](NC(=O)c1cc2cc(Cl)ccc2nc1C)c1ccccc1 58139014 ODCDIWMIWPZFCC-HXUWFJFHSA-N 396.874 4.621 0 40 GJAB Cc1nc(NC(=O)CCC(=O)c2ccc3c(c2)-c2ccccc2C3)sc1C 58168560 AZYXJBDBCWWYBK-UHFFFAOYSA-N 376.481 4.933 0 40 GJAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 58341095 WXVWPKHTVYSLTC-OCCSQVGLSA-N 379.378 4.553 0 40 GJAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 67259601 ZEGJVMLVATYSBH-UHFFFAOYSA-N 376.481 4.947 0 40 GJAB CNc1ncccc1CN1CCC[C@@H](c2cccc(-c3ccccc3OC)n2)C1 72350255 FQUWKQQLXLNRKJ-GOSISDBHSA-N 388.515 4.574 0 40 GJAB Cc1nc(-c2cccs2)sc1CNC(=O)Cc1cn(C)c2ccccc12 90592716 JLZNJOIACYQCEP-UHFFFAOYSA-N 381.526 4.531 0 40 GJAB COc1ccc(CNC2(c3nc(-c4ccsc4)no3)CCCCC2)cc1F 95450128 SNPRVOUIEBQZDH-UHFFFAOYSA-N 387.480 4.895 0 40 GJAB COc1ccc(-c2c/c(=N/[C@@H](CC(C)C)C(=O)O)c3cc(C)ccc3o2)cc1 102660074 DCMJHVDYYQLBFE-MOWYTJSFSA-N 379.456 4.817 0 40 GJAB CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219319803 YKNNUKHMUUQWTI-GOSISDBHSA-N 399.878 4.514 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 222975872 PATSPJHZJQJVJJ-RTWAWAEBSA-N 394.519 4.784 0 40 GJAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 222992997 RAEZAAZRMUJZOP-FDDCHVKYSA-N 394.534 4.794 0 40 GJAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 225555936 GUKVMOLDJCRWQT-OFNKIYASSA-N 394.559 4.568 0 40 GJAB CCCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C(=O)OCC 225808236 GVSNHUGCYYOKTI-AOMKIAJQSA-N 391.508 4.576 0 40 GJAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1F 408559078 XISNNKCMSWDKHJ-UHFFFAOYSA-N 398.409 4.603 0 40 GJAB Cc1ccc(-c2nnc(SC(=O)c3ccc(Br)cc3)o2)cc1 408599519 IKRDYXZPQMSMAU-UHFFFAOYSA-N 375.247 4.740 0 40 GJAB CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC 409132813 KDXYSBBTUWQMKB-LDADJPATSA-N 375.490 4.711 0 40 GJAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(C)cc3)[C@](O)(C(F)(F)F)[C@H]2C1 409351010 VILRGOBYSMPHBN-GQIGUUNPSA-N 396.453 4.910 0 40 GJAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cc(-c2cccs2)on1 575621097 VEFWWOWSVORRPV-UHFFFAOYSA-N 390.468 4.855 0 40 GJAB O=C(Cc1ccccc1Cl)NC[C@@H](O)c1ccc(-c2cccs2)s1 618256436 RPAJJEXBZKDMIL-CQSZACIVSA-N 377.918 4.522 0 40 GJAB Cn1nc([C@@H]2CCCO2)cc1NC(=O)NCC(C)(C)c1ccc2ccccc2c1 626542978 MDFLTQWVNTWQHG-FQEVSTJZSA-N 392.503 4.524 0 40 GJAB Cc1ccc(-c2cc(-c3nc(-c4cnc5cnccn45)no3)c3ccccc3n2)o1 683600573 YOAQOFBJYMTQET-UHFFFAOYSA-N 394.394 4.563 0 40 GJAB CCC[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(N)=O)C1 672910 GRVJZEYGBUKHKD-LLVKDONJSA-N 376.909 4.658 0 40 GJAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1C 858846 OFBNSGXYEYUMMB-UHFFFAOYSA-N 382.467 4.868 0 40 GJAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(Br)c1 1241673 YVMDYJYUNLGDAD-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB Cc1ccc(CSc2nc3c(c(N4C[C@H](C)O[C@@H](C)C4)n2)CCCC3)cc1 1393956 VCOQOZTTXTZUBV-IRXDYDNUSA-N 383.561 4.570 0 40 GJAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4cccc(Cl)c4)c(=O)c23)C1 1784995 RVXBYXHZDYSAJQ-CYBMUJFWSA-N 387.936 4.706 0 40 GJAB COc1ccc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)cc1 2252914 YISKGQAEQQNAHR-UHFFFAOYSA-N 380.451 4.898 0 40 GJAB CCCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1 2461082 SFKNPZRDYKUHCL-UHFFFAOYSA-N 381.450 4.799 0 40 GJAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2c(C)cc(C)cc2C)cc1 2723626 JQLMVCAFMIJJRF-UHFFFAOYSA-N 395.528 4.927 0 40 GJAB CCOc1ccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CCC4)cc1 3267243 KRMNVQOCDVBZOW-UHFFFAOYSA-N 399.541 4.618 0 40 GJAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)CCc1nc2ccccc2s1 3276515 HWQRGLYIFHABNB-HNNXBMFYSA-N 396.512 4.924 0 40 GJAB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1 3295680 UJAUCXBCQVXFDI-QHCPKHFHSA-N 388.419 4.813 0 40 GJAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(OCC)c(OCC)c1 4162602 YTVZTAXVCHQYBT-UHFFFAOYSA-N 397.427 4.659 0 40 GJAB CC[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2OC)s1 4174661 JCGFGSNMKHOYLA-INIZCTEOSA-N 385.514 4.723 0 40 GJAB COc1ccc(-c2c(C)c3ccc(OC(=O)c4ccco4)cc3oc2=O)cc1 4340147 RDYBEGJSNYFANY-UHFFFAOYSA-N 376.364 4.589 0 40 GJAB biogenic Cc1ccc(C)c(CN2C(=O)[C@](O)(c3c(C)[nH]c4ccccc34)c3ccccc32)c1 4554135 QNFHEVDSOADLHT-AREMUKBSSA-N 396.490 4.876 0 40 GJAB CSc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1 4597409 NLLBSTZVOIGDTQ-UHFFFAOYSA-N 390.468 4.633 0 40 GJAB Cc1cccc2cc3c(NC(=O)c4ccccc4F)nn(CC(C)C)c3nc12 5164482 NBACUAXHSSXZHP-UHFFFAOYSA-N 376.435 4.940 0 40 GJAB Cc1ccc(SCCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 5191159 PSTYGMOLNQUJBX-UHFFFAOYSA-N 398.509 4.968 0 40 GJAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NCCc3ccccc3)sc21 5215629 OFYAJNPLJFKOEW-UHFFFAOYSA-N 375.497 4.676 0 40 GJAB Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)NC3CCCC3)c3ccccc32)cc1 6966034 UCKHUMKEQMIPDM-ZHZULCJRSA-N 383.495 4.964 0 40 GJAB NC(=O)CCSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 7202055 LHVXRQVOAXUVFX-UHFFFAOYSA-N 399.347 4.725 0 40 GJAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)c1ccc(F)c(F)c1 7763623 DMYJPICQMLLZJQ-SNVBAGLBSA-N 391.468 4.983 0 40 GJAB O=C(N[C@@H]1CCCc2ccccc21)c1nccnc1-c1nc2ccccc2s1 7920536 KCTJJSHTQAOOKS-MRXNPFEDSA-N 386.480 4.561 0 40 GJAB CC(C)(C)c1ccccc1OCC(=O)NCCSc1ccc(Cl)cc1 8050761 DPFJVQUKEXIPIH-UHFFFAOYSA-N 377.937 4.925 0 40 GJAB CCN(CC)c1ccc(C(=O)O[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)cc1 8070757 ZLUWYXOKTQIVDW-OAHLLOKOSA-N 395.459 4.509 0 40 GJAB Cc1ccc(-c2csc3ncnc(SCC(=O)NCc4ccco4)c23)cc1 8262846 GDSCHWSKOQVEIO-UHFFFAOYSA-N 395.509 4.668 0 40 GJAB CC(=O)N(C)c1ccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)cc1 8554988 NJUDDRVVQXHFQY-UHFFFAOYSA-N 388.467 4.543 0 40 GJAB Cc1ccc(NC(=O)c2oc3c(c2C)[C@@H](O)CC(C)(C)C3)c(Br)c1 9576567 ZEOHKQRODWLIEP-AWEZNQCLSA-N 392.293 4.917 0 40 GJAB O=C(NCc1ccccc1)C1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 9979416 WYGVEEHJGOLUGJ-UHFFFAOYSA-N 398.506 4.522 0 40 GJAB O=C(COc1cccc2ccccc12)NCc1ccccc1CN1CCCCC1 10280621 HQHXGJBEXGHGSM-UHFFFAOYSA-N 388.511 4.521 0 40 GJAB C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1nc2ccccc2s1 12000711 XVOYZXHIMSPCHW-ZDUSSCGKSA-N 392.509 4.873 0 40 GJAB O=C(NCc1cc(-c2ccccc2)on1)C1c2ccccc2Oc2ccccc21 12235476 CSUQXQZAPAAKHN-UHFFFAOYSA-N 382.419 4.896 0 40 GJAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cc(Cl)ccc1Cl 12517237 DCLDZHXUGRCKRD-LBPRGKRZSA-N 392.286 4.559 0 40 GJAB Cc1cc(C)c(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)c(C)c1 12797380 YZGDXCPSOYEDFN-UHFFFAOYSA-N 386.904 4.848 0 40 GJAB CCC[C@@H](C(=O)N[C@H]1CC2(CCN(C)CC2)Oc2ccccc21)c1ccccc1 12975577 FKNMFPVHZUQTFR-IRLDBZIGSA-N 392.543 4.675 0 40 GJAB CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 14128537 CLFKXRYADAENMG-UHFFFAOYSA-N 395.890 4.554 0 40 GJAB COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 15832725 UEFAAZRXBUGSFU-INIZCTEOSA-N 396.512 4.519 0 40 GJAB FC(F)(F)c1cnc(SCCNc2ncnc3sccc23)c(Cl)c1 18060537 RZRFMWAYUWTDFJ-UHFFFAOYSA-N 390.843 4.963 0 40 GJAB Cc1ccc([C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2)cc1 20493698 JKBFWNSEGXMMEC-NRFANRHFSA-N 385.916 4.857 0 40 GJAB Cc1cc(=O)oc2cc(OCC(=O)N(C3=CCCCC3)C3CC3)c(Cl)cc12 22105644 MZILKCPDKXUSCW-UHFFFAOYSA-N 387.863 4.583 0 40 GJAB CCc1cccc2c(CN(Cc3cccnc3)C[C@@H]3CCCN3CC)c[nH]c12 22931809 QWCSIGIPBVAWRY-QFIPXVFZSA-N 376.548 4.612 0 40 GJAB COc1cc(C(=O)Nc2c(C)nn(C)c2C)ccc1OCc1ccc(Cl)cc1 24715374 DNSZHVSCWOEWLH-UHFFFAOYSA-N 399.878 4.530 0 40 GJAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 30757718 JFKCMIXOLAVDFA-MRXNPFEDSA-N 382.504 4.744 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(CC1CC1)C(C)C 32913218 ZMFRMLIDELSAAB-VAWYXSNFSA-N 385.939 4.862 0 40 GJAB Cc1noc(C)c1C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 35671699 BXENWUKUTONKSU-UHFFFAOYSA-N 378.359 4.660 0 40 GJAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832905 ZEZJHYHGZRDWJA-QGZVFWFLSA-N 391.342 4.864 0 40 GJAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(SC)cc2)c(OC)c1 40282855 CGVPFXGQSMFVCA-INIZCTEOSA-N 395.484 4.735 0 40 GJAB CN(C)C(=O)c1ccc(Oc2nc(-c3cccs3)nc3ccccc23)cc1 42099390 OIWWOXHJQNWNMW-UHFFFAOYSA-N 375.453 4.852 0 40 GJAB O=C(Nc1ccccc1OC(F)(F)F)N1CCC[C@@H]1c1nc2ccccc2[nH]1 43879157 YHNAKHVGGIIRQN-OAHLLOKOSA-N 390.365 4.831 0 40 GJAB C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCCC1 56176591 PQKMINNRMJLWFT-GFCCVEGCSA-N 380.275 4.604 0 40 GJAB COc1ccc(CN(C(=O)Nc2ccccc2N2CCCCC2)C2CC2)cc1 57935269 YRQHJUQILNCHAR-UHFFFAOYSA-N 379.504 4.882 0 40 GJAB CC(=O)c1ccccc1NC(=O)CNc1ccccc1N(C)Cc1ccccc1 58008812 DSEFTAMCSORMND-UHFFFAOYSA-N 387.483 4.576 0 40 GJAB CC(C)Cn1ccc2cc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)ccc21 58026674 GGTFZKNPCKRAOF-AWEZNQCLSA-N 393.512 4.982 0 40 GJAB O=C(Nc1nnc(SCc2cccs2)s1)c1ccc(O)c(Cl)c1 70920756 PVHZEXJHCIOZDK-UHFFFAOYSA-N 383.907 4.503 0 40 GJAB COc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4C)=NN3C(C)=O)cc2c1 71924185 AFVOEJMVHLJYIQ-OAQYLSRUSA-N 393.874 4.903 0 40 GJAB c1cc(Nc2cnccn2)nc([C@H]2CCCN2Cc2cccc3ncccc23)c1 72375737 QZDNQPUFOIBCQA-OAQYLSRUSA-N 382.471 4.501 0 40 GJAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3C(F)(F)F)n[nH]2)s1 84205715 STVAGWGZXYLTNO-UHFFFAOYSA-N 379.407 4.738 0 40 GJAB O=C([C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(c2c[nH]c3ncccc23)CC1 84445827 NZXBPAXCYHTEJH-RDJZCZTQSA-N 379.426 4.638 0 40 GJAB O=C(Nc1ccccc1CO)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 89814004 MNNXDGOYYAQMCR-UHFFFAOYSA-N 395.890 4.539 0 40 GJAB CCCOc1ccc([C@H](C)NC(=O)C(F)(F)c2ccccn2)cc1OCCC 89960336 LSTBDCRKECQWPS-HNNXBMFYSA-N 392.446 4.628 0 40 GJAB COc1ccc(SCC2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 90608272 SEUHSQKEVILTHC-UHFFFAOYSA-N 389.948 4.922 0 40 GJAB Cc1cc(C(=O)Nc2ncccc2OCc2ccncc2)cc(C)c1OC(F)F 95952921 NZZGPEDTCFMXJL-UHFFFAOYSA-N 399.397 4.526 0 40 GJAB Cc1ccc(CNC(=O)COc2ccc3occ(C(=O)c4ccccc4)c3c2)cc1 96184205 HSCRFSLMWWRLFC-UHFFFAOYSA-N 399.446 4.667 0 40 GJAB O=c1c(-c2ccn(-c3ccccc3)n2)c(O)c2ccccc2n1-c1ccccc1 103565450 IZVYNHPGVVZWFJ-UHFFFAOYSA-N 379.419 4.549 0 40 GJAB Cc1cc(N(C)S(=O)(=O)c2ccc3ccccc3c2)ccc1Br 225056584 CQACSEYRBASWGP-UHFFFAOYSA-N 390.302 4.736 0 40 GJAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225622864 BPMYAIRVNHQEGN-HSZRJFAPSA-N 390.568 4.721 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225825052 VRVNYXQKUMUEIN-OPAMFIHVSA-N 393.524 4.965 0 40 GJAB COc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cc1Cl 225919462 OAHIJILUPYZYQJ-UHFFFAOYSA-N 396.270 4.692 0 40 GJAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 408709429 SUXKIFNJHCYGCL-UHFFFAOYSA-N 398.812 4.737 0 40 GJAB CCOc1cc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)ccc1OC 408977873 YQPWPYAFVLSXTA-GIJQJNRQSA-N 381.472 4.607 0 40 GJAB O=C1S/C(=C/c2cc(Br)ccc2O)C(=O)N1CC1CCCCC1 409144513 FWJGWLKHRPAJTG-OQLLNIDSSA-N 396.306 4.771 0 40 GJAB O=C(C1CCC1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262749 BVKLOHUBWBJKAU-MRXNPFEDSA-N 394.906 4.556 0 40 GJAB Cc1ccc2ncc(-c3cccc([C@@H]4CCCN(C(=O)c5ccccc5)C4)n3)n2c1 585262802 HKTIVKHNBQTNKY-HXUWFJFHSA-N 396.494 4.725 0 40 GJAB C[C@](O)(C1CCN(c2cc(-c3ccccc3)cc(Cl)n2)CC1)C(F)(F)F 1154946967 QSBSRCACRCYDJV-SFHVURJKSA-N 384.829 4.932 0 40 GJAB C[C@H](C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)c1ccccc1 1543193399 GVMATGQKXYLGRY-KPZWWZAWSA-N 382.262 4.836 0 40 GJAB CCCNc1ccc(CNC(=O)N2CC[C@]3(c4ccccc4)[C@@H](C2)C3(F)F)cc1 1616044357 ZOZNVAJIDPYUPC-IRLDBZIGSA-N 399.485 4.627 0 40 GJAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CC[C@H](Cc2nccs2)C1 1622864517 HCEXCONHAAOHTO-CQSZACIVSA-N 398.463 4.566 0 40 GJAB Cc1ccc(N2C(=O)c3cc(C)nc(SCc4ccccc4F)c3C2=O)cc1 1405783 QDBXRRHVWAXCGH-UHFFFAOYSA-N 392.455 4.930 0 40 GJAB CC[C@@H](C)[C@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O 2426455 SGYQTZNDBKRINT-DYVFJYSZSA-N 375.428 4.954 0 40 GJAB O=C(Nc1ccccc1Cl)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 2652657 IXVZCGTWVMGMMO-NRFANRHFSA-N 390.870 4.546 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3nc(C)cs3)c3ccccc3n2)cc1 2741398 QOTQUZIIZVXKPH-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB O=C(COc1ccc(-c2ccccc2)cc1)NCc1ccc(Br)cc1 2765077 QQDDLZVEGHCXGQ-UHFFFAOYSA-N 396.284 4.811 0 40 GJAB Cc1cccc(NC(=O)OCCNC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1C 3087643 URQMKSZMXYUHCW-CZUORRHYSA-N 399.318 4.559 0 40 GJAB O=S1(=O)Cc2c(nc3ccccc3c2-c2ccccc2)-c2cc(F)ccc21 3348815 MGXNDVVRSHLNSO-UHFFFAOYSA-N 375.424 4.995 0 40 GJAB CNC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CC[C@@H](C)C2 5055626 LGYNKKHPIQPVIN-CYBMUJFWSA-N 378.497 4.638 0 40 GJAB COC(=O)c1c(NC(=O)CCSc2ccc(Cl)cc2)sc2c1CCC2 5191903 GFQOJGIFNIPKNQ-UHFFFAOYSA-N 395.933 4.798 0 40 GJAB Cc1ccc(-n2c(S[C@@H]3CCCCC3=O)nc3ccccc3c2=O)c(C)c1 5991646 JAJMMUXVNGTASQ-HXUWFJFHSA-N 378.497 4.606 0 40 GJAB COc1ccc(C(C)=O)cc1CSc1nc(C2CC2)n(-c2ccccc2)n1 6549542 ZKKCOQYSVHOPPQ-UHFFFAOYSA-N 379.485 4.648 0 40 GJAB COc1ccccc1NC(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1 6840791 GJLVOEHTUGBGIV-OAHLLOKOSA-N 395.528 4.512 0 40 GJAB COc1ccc(C)cc1-n1c(SC[C@H]2CCCO2)nnc1-c1cccs1 6975560 BPJFYPVNMZRIAX-CQSZACIVSA-N 387.530 4.584 0 40 GJAB C[C@@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1cc2ccccc2o1 7116440 MVVVSAMPAJCVLZ-GFCCVEGCSA-N 387.361 4.679 0 40 GJAB CC(=O)c1ccc(Oc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1 7444635 CVEJERLUAHBQEF-UHFFFAOYSA-N 378.819 4.772 0 40 GJAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccccc1-c1ccccc1 7577557 IEOOQYZGGCAMGN-ZDUSSCGKSA-N 396.541 4.899 0 40 GJAB COc1ccc(CCNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 8073109 GJJNFHVMISIKAC-UHFFFAOYSA-N 388.842 4.897 0 40 GJAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8133460 KBORRKLBMWOYDM-UHFFFAOYSA-N 389.883 4.795 0 40 GJAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC[C@H]3CCCC[C@@H]32)o1 8323985 SRBPYMQORSDGOK-AEFFLSMTSA-N 378.476 4.855 0 40 GJAB COc1cccc2cc(C(=O)Nc3nnc(-c4ccc5c(c4)CCCC5)o3)oc12 9133634 UZNCQXNCBHGRBG-UHFFFAOYSA-N 389.411 4.623 0 40 GJAB COc1ccc(OCCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 9898442 UMGJFJTVVSZRBM-OAQYLSRUSA-N 385.460 4.571 0 40 GJAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cnn(Cc2ccccc2)c1 12108284 VYUKDSLMCFYKTO-OUKQBFOZSA-N 380.451 4.749 0 40 GJAB Cc1nc(-c2ccccc2)c(CC(=O)N2CCCC[C@@H]2CN2CCCCC2)s1 12238195 FOSKAZREFDFIQF-HXUWFJFHSA-N 397.588 4.528 0 40 GJAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)Cc1ccc2ccccc2c1 12522019 DFOHEJROJGTERW-MRXNPFEDSA-N 384.487 4.544 0 40 GJAB CC(C)C[C@@H](NC(=O)c1ccccc1I)c1ccccc1 12788379 CCCMLCRFJNXPFE-QGZVFWFLSA-N 393.268 4.808 0 40 GJAB CCOc1cc2c(cc1NC(=O)COc1cc(C)ccc1C(C)C)O[C@@H](C)C2 12904040 ZHLUYADAQOYVAJ-INIZCTEOSA-N 383.488 4.858 0 40 GJAB COc1ccc(C)cc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 12918412 QKRJFGOTTHBHQN-UHFFFAOYSA-N 381.457 4.961 0 40 GJAB CCN(C(=O)c1cc(C(C)C)nc2c1c(C)nn2C)c1nc2ccccc2s1 12950070 ZOJSZRYFKPHNSI-UHFFFAOYSA-N 393.516 4.677 0 40 GJAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2)c(C)c1 13563685 QAOOUZOCAGYCQB-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB COc1cc2c(cc1OC)[C@@H](C1CCCCC1)N[C@@H](c1cccnc1OC)C2 19550781 HUWOWXPNGHPKQU-DENIHFKCSA-N 382.504 4.616 0 40 GJAB COc1cccc([C@H]2CCCN2C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)c1 19662308 MDOHIZUKKPKBOH-QGZVFWFLSA-N 389.377 4.568 0 40 GJAB CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2Cc2ccc(F)cc2)n1 19690452 VKEBVCPKHRSTFR-NRFANRHFSA-N 376.479 4.686 0 40 GJAB CCc1nnc(NC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)s1 21147079 RSDWGWSJKYVJNA-UHFFFAOYSA-N 384.848 4.814 0 40 GJAB CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCCC2)cc1 23109708 LJRODSAMQBLGKN-UHFFFAOYSA-N 380.513 4.539 0 40 GJAB Cc1ccn(C(=O)CCc2ncc(-c3ccccc3)o2)/c(=N/C2CCCCC2)c1 23199653 JQNXPEJBUADWLS-XTCLZLMSSA-N 389.499 4.958 0 40 GJAB CC(C)Oc1ccc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1Cl 24924529 HIIJSTKDQIKNIB-UHFFFAOYSA-N 387.867 4.663 0 40 GJAB O=C(c1cc(-c2ccccc2)n(-c2nc3ccccc3s2)n1)N1CCCCC1 25186168 FXAUAHINTUCAPZ-UHFFFAOYSA-N 388.496 4.775 0 40 GJAB O=C(C[C@@H](C(=O)O)c1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl 25207008 VZFBUFPVOQCRNZ-SNVBAGLBSA-N 390.625 4.983 0 40 GJAB O=C(c1ccc(Br)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 27386521 ZECCWUBFXBRSKU-CQSZACIVSA-N 385.261 4.610 0 40 GJAB CCOc1ccc(Oc2ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc2)cc1 31689290 QAPKFHNBDUNCGG-ZDUSSCGKSA-N 383.366 4.784 0 40 GJAB O=C(Cc1csc(-c2ccccc2)n1)N1CCC(OCc2ccccc2)CC1 32848147 CUNXRRVAIUVSTJ-UHFFFAOYSA-N 392.524 4.560 0 40 GJAB CCCc1nc(SCC(=O)c2ccc(NC(C)=O)cc2)c2ccccc2n1 35291553 LPPZTJPLZCIIBO-UHFFFAOYSA-N 379.485 4.516 0 40 GJAB Cc1ccc(-n2nnnc2C2(Nc3cccc(C(F)(F)F)c3)CCCC2)cc1 35622475 FAXFNLQYXLXGAM-UHFFFAOYSA-N 387.409 4.871 0 40 GJAB C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 39978456 AJTASFOCYKQYNE-GFCCVEGCSA-N 384.328 4.912 0 40 GJAB Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)c(C)s1 40074299 WKCQCBBAQZBVLQ-ACJLOTCBSA-N 392.952 4.650 0 40 GJAB CCOc1c(Cl)cc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1OC 40152758 ARBNQXLHDYWJFW-UHFFFAOYSA-N 383.275 4.719 0 40 GJAB COc1ccc2nc(C(=O)N3CCCCC3)cc(Nc3cccc(F)c3)c2c1 44168087 GKHYRDNPVIFQEH-UHFFFAOYSA-N 379.435 4.752 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875349 FBCBABDFTLUMLK-HSZRJFAPSA-N 394.559 4.763 0 40 GJAB Cc1ccc(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1 49985278 HTWXORJJXWXENX-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB C[C@H](CC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)c1ccccc1 58115209 IEKWQAVNCSKMQW-LJQANCHMSA-N 383.495 4.895 0 40 GJAB CCCN(Cc1nnc(Cc2ccccc2C)o1)[C@H]1CCc2ccccc2C1 79108049 QPYISZXGSBBPDB-QFIPXVFZSA-N 375.516 4.738 0 40 GJAB Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)c3cccs3)CC2)c1 96183727 ZKWKRKKCSGKVLU-HSZRJFAPSA-N 390.552 4.912 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)c(Cl)c1 216394318 GMZAWLBVMIUZQY-MRXNPFEDSA-N 396.270 4.966 0 40 GJAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 223223719 ZTRXHAUEFUTRBI-JOCHJYFZSA-N 394.559 4.568 0 40 GJAB CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 225068325 BDLRTHMVDCMELZ-UHFFFAOYSA-N 381.497 4.986 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(Cl)cc2Cl)c1 225306874 UJINBZWLQCEFBQ-UHFFFAOYSA-N 397.327 4.965 0 40 GJAB O=C(CSCc1ccccc1F)Nc1nnc(-c2ccc(Cl)cc2)s1 225379826 NEZDODARDHYNAH-UHFFFAOYSA-N 393.896 4.870 0 40 GJAB COC1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCCCCC1 225630859 JRPVYWVMMNSLCP-UHFFFAOYSA-N 388.552 4.619 0 40 GJAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1cc(Cl)cc(Cl)c1 225734380 MMDYRBDNWRRWDL-UHFFFAOYSA-N 381.646 4.600 0 40 GJAB COc1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1Cl 225917977 SNTLCZIEHFNSNX-UHFFFAOYSA-N 382.851 4.751 0 40 GJAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccccc2Cl)n1 225938402 ICEDBXYIZWQXJF-UHFFFAOYSA-N 384.892 4.717 0 40 GJAB C[C@H]1C[C@@H](C)CN(c2cc(Cl)nc(NC(=S)NC3CCCCCC3)n2)C1 226011349 MUNCHQSKYGTEFO-OKILXGFUSA-N 396.004 4.622 0 40 GJAB COCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 245380050 PTUWZIHJUNFZQP-GKUMMSIHSA-N 390.527 4.749 0 40 GJAB COc1cc([C@@H]2CN(CCc3ccccc3)[C@H]3CCC[C@H]32)cc(OC)c1OC 248139825 RAUKNZWEAAPBHW-ACRUOGEOSA-N 381.516 4.523 0 40 GJAB COc1cc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)ccc1OC(C)C 257204672 AVVCFRDAGBYEIG-MBMKLCEZSA-N 389.536 4.643 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)C1 260577718 JRTWPQZASLBWHL-AVRDEDQJSA-N 392.543 4.951 0 40 GJAB COc1ccc(S(=O)(=O)N[C@@H](c2ccsc2)c2cccs2)cc1Cl 390826715 OXKYPIMACUIXSW-INIZCTEOSA-N 399.946 4.540 0 40 GJAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccccc1Cl 408714948 ZAROBYREFOJRPV-UHFFFAOYSA-N 383.879 4.960 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 409116377 LRAFGADTCKIEPL-AWEZNQCLSA-N 390.936 4.740 0 40 GJAB CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 409245969 BSJGWFGSHNUJAA-PXLXIMEGSA-N 386.451 4.722 0 40 GJAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)CCC3CCCCC3)C2)N1C 643574233 KLRJONRECCRWGF-PKTZIBPZSA-N 397.607 4.963 0 40 GJAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)cc1 714725 ZACOJFAQNZXPPO-HXUWFJFHSA-N 378.815 4.840 0 40 GJAB COc1ccc(-c2nc3ccc(Br)cn3c2NC(C)(C)C)cc1O 904257 QTWSXIBFTNUEPU-UHFFFAOYSA-N 390.281 4.688 0 40 GJAB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(C)=O)[C@H]3c2ccc(OC)cc2)cc1 968645 VGVQKVUMSKPNJG-IOMURQGYSA-N 390.483 4.847 0 40 GJAB O=C(Nc1nc2c(s1)C(=O)C[C@@H](c1ccccc1)C2)c1ccc(Cl)cc1 1326388 GLLGEXKPDLRPOD-AWEZNQCLSA-N 382.872 4.962 0 40 GJAB Cc1ccc([C@]2(CCNCc3ccc4c(c3)OCO4)CCOC(C)(C)C2)cc1 1855393 MOBQVFPHKQFCJV-XMMPIXPASA-N 381.516 4.730 0 40 GJAB biogenic CCCCCCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12 2245255 LHJCZDLBUDBPBL-UHFFFAOYSA-N 392.459 4.545 0 40 GJAB CC[C@H](C)OC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 2410188 UQVNFYNETBHRLX-HNNXBMFYSA-N 388.471 4.728 0 40 GJAB O=C1CN(C(=O)CC2CCCCC2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2456398 JZGOUXVWGMPISC-QHCPKHFHSA-N 398.453 4.805 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c(C)c1NS(=O)(=O)c1ccc2ccccc2c1 2631220 JVPKVEYRQGOPSJ-UHFFFAOYSA-N 395.459 4.582 0 40 GJAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC 2708298 AVYDWZZNXBRMEG-FYWRMAATSA-N 387.435 4.587 0 40 GJAB Cc1csc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1 3247735 TXEVQQPWTGVTDE-KRWDZBQOSA-N 399.903 4.605 0 40 GJAB Cc1ccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CCC4)c(C)c1 3267146 KMPAPZQIIHIABM-UHFFFAOYSA-N 383.542 4.836 0 40 GJAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)o2)cc1 3459037 FMPOOGOKLQEVLP-HNNXBMFYSA-N 397.500 4.790 0 40 GJAB CCc1nc2sc3c(c2c2nnc(SCc4ccccn4)n12)CC[C@H](C)C3 4848075 AJBBDZNYXHWIMW-LBPRGKRZSA-N 395.557 4.714 0 40 GJAB COCCN(Cc1cc2cccc(C)c2nc1Cl)C(=O)NC1CCCCC1 4880294 NMJRPJNRGUEVSR-UHFFFAOYSA-N 389.927 4.687 0 40 GJAB O=C(CSc1ccc(-c2ccco2)nn1)Nc1cc(Cl)ccc1Cl 5442289 DZIQXWJIGNDRCO-UHFFFAOYSA-N 380.256 4.774 0 40 GJAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@@H]1CCCc2ccccc21 5442759 XZHIWXNACOTRRE-RPWUZVMVSA-N 398.506 4.742 0 40 GJAB CCCCCC/N=c1\sc2ccccc2n1CC(=O)Nc1ccc(OC)cc1 5694621 BTSQKCRNHVZVGE-FCQUAONHSA-N 397.544 4.831 0 40 GJAB Cc1cccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2O)c1 5795913 AFCSSNFAAMLELE-UHFFFAOYSA-N 376.909 4.778 0 40 GJAB Cc1nnc(SCC(=O)c2ccc(Br)cc2)n1C1CCCCC1 5866282 GFAMHLJGSYCEBY-UHFFFAOYSA-N 394.338 4.829 0 40 GJAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N3CCc4ccccc43)s2)c1 6057728 PARSJUHWWFNUEW-AWEZNQCLSA-N 396.541 4.660 0 40 GJAB O=C(Oc1cccc(I)c1)C1(c2ccccc2)CCCC1 6083037 IWIQTPQQQMFHBS-UHFFFAOYSA-N 392.236 4.709 0 40 GJAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(F)cc2)o1 6201159 HNAYPSAFINQZEF-CQSZACIVSA-N 381.473 4.723 0 40 GJAB Cc1cc(Br)cc(Br)c1NC(=O)c1cccs1 6202598 IJAHIMXJYFYUMJ-UHFFFAOYSA-N 375.085 4.834 0 40 GJAB CCCOc1ccc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1 6324284 YZQUQFUOGLLYKH-UHFFFAOYSA-N 376.865 4.999 0 40 GJAB Cc1nnc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)o1 6531734 LGFRDIULNMAQJQ-UHFFFAOYSA-N 397.891 4.631 0 40 GJAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)cc1 6555304 VUCMHWRTPNMBTB-LBPRGKRZSA-N 378.266 4.887 0 40 GJAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 6767596 CECGZRVDDQCPJT-HNNXBMFYSA-N 395.459 4.665 0 40 GJAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)s1 6788638 WCTRQZOOKIPGPX-UHFFFAOYSA-N 392.456 4.599 0 40 GJAB COc1ccc(-c2nc(NC(=O)COc3ccccc3Cl)sc2C)cc1 6902323 AWFBCHSCXSOTEM-UHFFFAOYSA-N 388.876 4.798 0 40 GJAB CCc1cccc(C)c1NC(=O)c1cc(OC)c(Br)c(OC)c1 7071775 LBPAPBOCKBIRKK-UHFFFAOYSA-N 378.266 4.589 0 40 GJAB CCN(C[C@@H]1COc2ccccc2O1)C(=S)Nc1cc(Cl)cc(Cl)c1 7326052 CDFJYCPDUOGGMW-OAHLLOKOSA-N 397.327 4.852 0 40 GJAB O=C(CN1CCSc2ccccc21)N[C@@H](c1ccc(F)cc1)c1cccs1 7355578 MDTWNWWPLIQKNO-NRFANRHFSA-N 398.528 4.705 0 40 GJAB C[C@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)Nc1ccccc1 7547086 SHJHTXDGQCTEGT-OXJNMPFZSA-N 389.524 4.978 0 40 GJAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)c1ccc2c(c1)CCC2 7789454 YUCUYRRSFHWEPU-AWEZNQCLSA-N 379.481 4.532 0 40 GJAB CCc1ccc([C@H](NS(=O)(=O)c2ccc(C(C)=O)cc2)c2cccs2)cc1 8057991 CHRUROKGPWSQOO-NRFANRHFSA-N 399.537 4.581 0 40 GJAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1cc2ccccc2o1 8239143 ZMRFNNXFXCWNIF-QWHCGFSZSA-N 388.261 4.840 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 8320836 IKYOWWBSEWRNLY-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)OCc1ccc(-n2cccn2)cc1 8547868 WSGRLKPQFBPMHX-UHFFFAOYSA-N 381.482 4.723 0 40 GJAB C[C@H](NC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1 9135237 UMDSPECINGRAIK-INIZCTEOSA-N 383.451 4.651 0 40 GJAB CCCCNC(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 9850295 HCVPVHPBHCITBA-DOTOQJQBSA-N 398.956 4.607 0 40 GJAB CCc1ccc(OCC(=O)Nc2cccc(OC(C)C)c2)c(Br)c1 10715463 RHQFRDOLTOCMPM-UHFFFAOYSA-N 392.293 4.816 0 40 GJAB CN(Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21)C1CCCCC1 12552903 FSIWMJQTIAEWJL-FQEVSTJZSA-N 391.515 4.516 0 40 GJAB O=C(c1cccc(OC(F)F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12882425 CSGPCCCYOIAJNI-CQSZACIVSA-N 388.439 4.918 0 40 GJAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N[C@@H]1CCCc2ccccc21 13038237 IYCVWZWLCQNUFO-QUCCMNQESA-N 391.540 4.627 0 40 GJAB Clc1ccc(-c2nn3c(CSc4ccccc4)nnc3s2)c(Cl)n1 13693536 CJGUDRLTPJUIRH-UHFFFAOYSA-N 394.312 4.847 0 40 GJAB COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1OC(C)C 14011473 NGQQKMJVIXAIBQ-PDGQHHTCSA-N 383.469 4.719 0 40 GJAB CC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 15554472 BAOLUDQJXIYCOB-UHFFFAOYSA-N 392.842 4.782 0 40 GJAB Clc1ccc(COc2cccc(CNCc3ccc4c(c3)OCO4)c2)cc1 16399560 WOJPZBXXUWRVEU-UHFFFAOYSA-N 381.859 4.938 0 40 GJAB NC(=O)c1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 16761511 ULTSZWIXOWYKOH-UHFFFAOYSA-N 398.491 4.597 0 40 GJAB Cc1ccc(C)c(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c1 17198419 AOCOSUQIOQAQKW-UHFFFAOYSA-N 386.521 4.560 0 40 GJAB CCn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)no2)c(C)n1 19524547 VUISWQKNKXDMJL-QFIPXVFZSA-N 394.519 4.992 0 40 GJAB CCn1ncc(CN2CCC[C@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)c1C 19692032 RTLRNADRQNFLRK-DEOSSOPVSA-N 392.522 4.982 0 40 GJAB COc1cccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1OC 20616861 PEAKOFOLGWMRTH-UHFFFAOYSA-N 393.468 4.665 0 40 GJAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCc4sccc4C3)c12 21629379 VOKCUEKMKFNZMT-UHFFFAOYSA-N 393.443 4.597 0 40 GJAB CCn1cc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(=O)c2cc(C)ccc21 22606025 UKDFESBFXUXSJX-GOSISDBHSA-N 376.500 4.746 0 40 GJAB CC(=O)NCc1ccc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)o1 24655693 PUTHWDUWPZVMCA-UHFFFAOYSA-N 381.379 4.802 0 40 GJAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)cc1 27525804 JLCQNFWVLCVUAO-UHFFFAOYSA-N 397.500 4.559 0 40 GJAB CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Nc3ccccc3)CC2)cc1 27630879 YHWDRHNZHUGTTE-UHFFFAOYSA-N 399.494 4.595 0 40 GJAB Cc1cc(C)c2nc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)sc2c1 27985726 ANAUVVOKVXNTIB-CYBMUJFWSA-N 399.903 4.558 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)c3ccccc3)n[nH]2)cc1 44837676 CFUAYQXRDFQZFZ-UHFFFAOYSA-N 381.435 4.868 0 40 GJAB CC1CCN([C@@H](CNC(=O)Nc2ccc(-c3nccs3)cc2)C(C)C)CC1 48262787 SNCKIDNZEJVDLE-IBGZPJMESA-N 386.565 4.688 0 40 GJAB COc1ccc(-c2noc(CSCc3c(F)cccc3Cl)n2)c(OC)c1 58143378 XPJUKPRNNATDOU-UHFFFAOYSA-N 394.855 4.980 0 40 GJAB C[C@]1(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)CC1(Cl)Cl 58406783 NAWJSUGRVYLTSD-GFCCVEGCSA-N 399.221 4.760 0 40 GJAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccccc2N2CCCCCC2)c1 71902089 AVZNCDYSZCRTOU-QGZVFWFLSA-N 397.519 4.967 0 40 GJAB Cc1cc2c(cc1C)[C@H](N(CC(=O)Nc1cccnc1Cl)C1CC1)CCCO2 72309431 FDJKWOMVOLJJGY-LJQANCHMSA-N 399.922 4.669 0 40 GJAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(CC)cc2)cc1 72328982 UEKAZKIDSIVQTM-UHFFFAOYSA-N 377.488 4.748 0 40 GJAB CC(C)c1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Br)c2)cc1 72329043 FWODXWIRSDVGEQ-UHFFFAOYSA-N 398.304 4.893 0 40 GJAB Cc1cccc(C)c1OC1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 78710908 WNHYYEFZCMIMAN-NHCUHLMSSA-N 382.479 4.551 0 40 GJAB Brc1csc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 84452234 VYNNSVDNMHKITG-QGZVFWFLSA-N 380.307 4.523 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC[C@@H](C(=O)O)C4)cc3)sc2c1 85388486 OUAZWUKQRHZQNC-HUUCEWRRSA-N 380.469 4.711 0 40 GJAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCc1nc2ccccc2[nH]1 95480340 MYQJFNLLFAILDN-QGZVFWFLSA-N 392.890 4.508 0 40 GJAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 97593125 DTCAUBOZRJRQII-ZHRRBRCNSA-N 377.488 4.506 0 40 GJAB Oc1cc(-c2ccc(-c3cc(O)n(-c4ccccc4)n3)cc2)nn1-c1ccccc1 100074619 OIRLHUXWMXHFRF-UHFFFAOYSA-N 394.434 4.803 0 40 GJAB CCSc1ccccc1C(=O)NCc1ccc([C@@H](O)c2ccsc2)s1 207965913 UJHQRYMFPRBYBP-SFHVURJKSA-N 389.567 4.933 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2Br)cc1 216282370 JLRHJZPYPRNHNA-GOSISDBHSA-N 376.294 4.975 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2cc3cc4ccccc4nc3s2)cc1OC 223134998 UYTSLMURBIUFBG-CYBMUJFWSA-N 392.480 4.958 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)COc3cccc4ccccc34)ccc21 225156841 KGODGEGAHYFABH-UHFFFAOYSA-N 392.480 4.815 0 40 GJAB CC(C)CSc1nnc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)s1 225311995 GJIQBHBAOZEDIU-ZDUSSCGKSA-N 391.562 4.571 0 40 GJAB CCOC(=O)c1ccc(NC(=S)NCc2ccccc2Cl)cc1Cl 225372311 KQYSGGFGWXCQIE-UHFFFAOYSA-N 383.300 4.657 0 40 GJAB CCOC1(C(=O)Nc2ccc(O[C@H](C)COC)c(Cl)c2)CCCCCC1 225712265 OEFWZAJJUHXLRM-OAHLLOKOSA-N 383.916 4.822 0 40 GJAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccccc3)CCCC2)c1C 225863589 YPWHSJNCQQJTSG-UHFFFAOYSA-N 382.529 4.928 0 40 GJAB CC(C)NC(=S)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1 225889482 IUWMBUYICLNUHC-UHFFFAOYSA-N 380.473 4.756 0 40 GJAB C[C@@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC(C)(C)C)n1 225895460 ZSMQPWQAZOKIHD-OAHLLOKOSA-N 399.564 4.733 0 40 GJAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3)n2)cc1 408693816 FFQXNYSGYLMHTM-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB COc1cc(OC)c(/C=C2\Sc3ccccc3NC2=O)cc1Br 409108257 SVUABHZNGUITRJ-PXNMLYILSA-N 392.274 4.552 0 40 GJAB COc1ccc(Cc2nnc(SC(=O)c3cccc4ccccc34)o2)cc1 409391691 KSFNSBLZADGPTO-UHFFFAOYSA-N 376.437 4.755 0 40 GJAB O=C(NC1CCCCC1)c1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 509615016 DVVHYTGNVWGBIL-UHFFFAOYSA-N 389.455 4.656 0 40 GJAB O=C(O)[C@@H](c1cccc(Cl)c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 564661662 SHNAYRPXYFWORN-DLBZAZTESA-N 399.796 4.558 0 40 GJAB C[C@H](NC(=O)N1Cc2ccccc2NC(=O)[C@H]1C)c1ccc(-c2ccccc2)cc1 1233564986 SPARLUNDYCUELF-ZWKOTPCHSA-N 399.494 4.967 0 40 GJAB Cc1ccc(OCc2nn3c(CSCc4ccccc4)nnc3s2)cc1 1501039949 OJMJQGPALRCLCX-UHFFFAOYSA-N 382.514 4.507 0 40 GJAB CC(C)C1CCC(CNC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 1678802941 CYLXWLWCALACEL-UHFFFAOYSA-N 382.552 4.914 0 40 GJAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 863301 NPGTVTIBFQYNGH-UHFFFAOYSA-N 389.864 4.520 0 40 GJAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)c1ccc(C)cc1 899199 IRJDZKVQPLBCAH-UHFFFAOYSA-N 394.544 4.810 0 40 GJAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C(C)C)cc2)n2ncnc2N1 954673 CSHPPJIFTIGZIJ-OAQYLSRUSA-N 387.487 4.638 0 40 GJAB COC(=O)c1cc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2s1 1392863 JNZUIOAPXCAVTC-UHFFFAOYSA-N 379.359 4.959 0 40 GJAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1Cc1ccco1 2440782 JGCNGSUDIBUJGZ-IBGZPJMESA-N 391.810 4.785 0 40 GJAB O=C1N(Cc2ccccc2Cl)c2ccccc2[C@]1(O)c1c[nH]c2ccccc12 2443798 VIOLUUILROGECM-QHCPKHFHSA-N 388.854 4.604 0 40 GJAB O=C1S/C(=C/c2ccccc2)C(=O)N1CNc1ccccc1Br 3149849 QZAVZPUPRARYDL-XNTDXEJSSA-N 389.274 4.555 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc4c(c3)OCO4)cc12 3235061 HCDSLWIUCIDAAP-UHFFFAOYSA-N 395.415 4.516 0 40 GJAB Cc1ccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)cc1 4143853 WDRGLBUNVBJZJT-UHFFFAOYSA-N 393.531 4.998 0 40 GJAB N=C1NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S1 4428035 GWUGATLRFDRRAY-VIZOYTHASA-N 379.268 4.711 0 40 GJAB C[C@H]1CCC[C@@H](N2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 4745319 UWADVROSAKPYEC-NKKJXINNSA-N 382.592 4.758 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2Cc2ccco2)cc1 5478677 RQKMSUZOVZBNKA-UHFFFAOYSA-N 389.480 4.870 0 40 GJAB CCCCn1nc(C(=O)Nc2c(C)cccc2C(C)C)c2ccccc2c1=O 6232119 IMWFEQUPWWLWKB-UHFFFAOYSA-N 377.488 4.881 0 40 GJAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C)cc2)c1 6263884 PCHHAMHZGLORBU-UHFFFAOYSA-N 389.908 4.514 0 40 GJAB COc1ccc(/C=C/C(=O)OCc2csc(-c3ccc(F)cc3)n2)cc1OC 6407378 SJGWGWZGGGUIAK-ONNFQVAWSA-N 399.443 4.723 0 40 GJAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N1c2ccccc2C[C@H]1C 6559786 OGGMYHLAKQNZSL-KGLIPLIRSA-N 396.541 4.740 0 40 GJAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)/C=C/c2ccco2)c2ccccc2)c1 6932527 CSUMRKPSAVSIPY-NELJVSICSA-N 375.424 4.833 0 40 GJAB CCOc1ccc([C@H]2CCCN2Cn2nc(C)n(-c3ccccc3)c2=S)cc1 7317571 QQDWIMMCLWBPKI-OAQYLSRUSA-N 394.544 4.905 0 40 GJAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1Oc1ccccc1 7653164 BRJAGZRJXGGPQZ-UHFFFAOYSA-N 393.464 4.981 0 40 GJAB C[C@H](NC(=O)COc1ccc(Br)cc1F)c1cc2ccccc2o1 7694563 VZBJREOKNNTCLP-NSHDSACASA-N 392.224 4.591 0 40 GJAB Brc1ccc(-c2nnc(COc3cccc4cccnc34)o2)cc1 8186278 AVVLRWDXYABOIE-UHFFFAOYSA-N 382.217 4.626 0 40 GJAB CCOc1cc(CNC(C)(C)CO)ccc1OCc1ccc(Cl)cc1Cl 8254566 KDZJTYBLMHLINP-UHFFFAOYSA-N 398.330 4.832 0 40 GJAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC[C@@H]2CCCC[C@H]21 8340675 LTOIMCVVJWRLNI-PGRDOPGGSA-N 386.499 4.729 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 9063644 KLSZCSMBIIHXNN-UHFFFAOYSA-N 381.278 4.983 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 10444182 JQWGPALSQXJUDS-HMMYKYKNSA-N 375.424 4.944 0 40 GJAB COc1ccccc1Oc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1 11518576 OHRPDKPJXPMQAC-UHFFFAOYSA-N 399.450 4.985 0 40 GJAB CC(C)C(=O)N1CCCc2cc(-c3csc(NC(=O)c4ccco4)n3)ccc21 12220064 ZMJPUWBIJUMWBE-UHFFFAOYSA-N 395.484 4.591 0 40 GJAB COc1ccc(Cl)cc1-c1nnc2sc(-c3ccc4ccccc4n3)nn12 12321473 SQYRAVWSDJODKN-UHFFFAOYSA-N 393.859 4.730 0 40 GJAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)Nc1ccccn1 12324589 ZUMZBULXQCDQNT-UHFFFAOYSA-N 379.363 4.664 0 40 GJAB O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12577161 GPZHXTKRRXYQAZ-ZGKFYVQTSA-N 385.389 4.959 0 40 GJAB CCc1nnsc1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 12730698 DVDXDDOUMKCEDC-UHFFFAOYSA-N 399.328 4.707 0 40 GJAB COCCSc1ncnc2cc(-c3ccc(Br)cc3)sc12 12738321 HBVMBKTVHQWELJ-UHFFFAOYSA-N 381.320 4.859 0 40 GJAB COc1ccc(OC)c(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c1 12989640 QFJMTKLBINKLGC-UHFFFAOYSA-N 395.440 4.529 0 40 GJAB CCOC(=O)Nc1sc(NC(=O)Cc2ccccc2)nc1-c1ccc(F)cc1 13656025 QRBNRLMNDMCRBB-UHFFFAOYSA-N 399.447 4.699 0 40 GJAB CCc1ccc(NC(=O)[C@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)cc1 14077531 PTPKXUPEICOWBN-HNNXBMFYSA-N 392.528 4.826 0 40 GJAB O=C(Cc1cnn(-c2ccccc2)c1)N[C@H](Cc1ccccc1)c1ccccc1 14169949 OWVFHLONEVSEBI-XMMPIXPASA-N 381.479 4.515 0 40 GJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(C[C@H]2CC=CCC2)C1 19400460 ANZNQKFCIDZDIG-HWBMXIPRSA-N 395.591 4.888 0 40 GJAB O=C(COc1ccc(Cl)cc1Cl)Nc1c(Cl)ccc2nsnc12 20435886 MTBOLKPMMFVCOX-UHFFFAOYSA-N 388.663 4.669 0 40 GJAB CN1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)[C@H](c2ccccc2)C1 30030313 OSDKATJAKWGLEM-IBGZPJMESA-N 397.931 4.592 0 40 GJAB COc1ccc(S[C@H](C)C(=O)NCCc2ccc(C(C)C)cc2)cc1OC 30867702 LFRXJAWFXNMDDZ-MRXNPFEDSA-N 387.545 4.667 0 40 GJAB COc1cccc2cc(C(=O)Nc3ccccc3-c3ccc(C)o3)c(=O)oc12 35311277 YDWOYSPGJHLKCQ-UHFFFAOYSA-N 375.380 4.622 0 40 GJAB O=C(NC1CC1)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 36365270 SOIOWUZAPSHFQC-OAQYLSRUSA-N 392.474 4.551 0 40 GJAB CSc1nccn1-c1cccc(C(=O)Nc2cccc(-c3cnco3)c2)c1 58429358 BWFBVKPXOIEEAQ-UHFFFAOYSA-N 376.441 4.502 0 40 GJAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1 67190114 WBERSXQMHLJLQX-BZZOAKBMSA-N 385.423 4.630 0 40 GJAB CC[C@@H](C)Nc1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72213463 HFMCMJUZHMBYDZ-YLJYHZDGSA-N 387.549 4.516 0 40 GJAB CCOc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC 107800306 FBIYLOJVTGVECG-UHFFFAOYSA-N 397.254 4.831 0 40 GJAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(-n2ccnc2C)cc1 216428398 WMTIGCFJCCTHTA-HSZRJFAPSA-N 399.494 4.808 0 40 GJAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccc(C)c(C)c1 223208764 FDRKJRNUJZPQKC-NTKDMRAZSA-N 395.543 4.923 0 40 GJAB COc1ccc(CCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C 224429951 CLOXXDBVXDJLFZ-UHFFFAOYSA-N 387.892 4.747 0 40 GJAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)nc1 257322187 WEXVSJVOFXSVRR-QGZVFWFLSA-N 394.450 4.904 0 40 GJAB Cc1cccc(CSCCNC(=O)CSCc2ccc(Cl)cc2)c1 408926681 ZCUSZDFREQBRFQ-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB CCN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H]1CCOC(C)(C)C1 585084865 HWECZVPKMPLFHX-OAHLLOKOSA-N 383.414 4.535 0 40 GJAB Cc1cccc(Nc2cc([C@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)ccn2)n1 585291536 DCKAXQBCDBQKJJ-GNNUASRNSA-N 398.510 4.948 0 40 GJAB O=C(CSc1ccc(F)cc1)NC[C@H](O)c1ccc(-c2ccsc2)s1 1775965456 VFJUTLDJWDBGMJ-HNNXBMFYSA-N 393.530 4.558 0 40 GJAB O=C1O[C@@H](Nc2nc(-c3cccc(Br)c3)cs2)c2ccccc21 2203340 WVFDLEJTZGUQFJ-OAHLLOKOSA-N 387.258 4.854 0 40 GJAB COc1ccccc1CNc1nc2c(-c3cccc(C)c3)nnn2c2ccccc12 2694165 ORJSUTCJZNMUPZ-UHFFFAOYSA-N 395.466 4.874 0 40 GJAB Cc1cccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)c1C 3380258 GIHNOTMXBQJENQ-UHFFFAOYSA-N 375.424 4.891 0 40 GJAB CCOc1ccccc1NC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCC2 4499591 WIJBECPAQKMUKM-UHFFFAOYSA-N 386.517 4.872 0 40 GJAB O=C1CS[C@@H](c2ccc(Cl)cc2)c2c(O)nn(C3CCCCCC3)c2N1 5763613 XWWMJVBTZZJPPZ-KRWDZBQOSA-N 391.924 4.912 0 40 GJAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C1=O 6657291 GGPUXOGWURCXNH-XDHOZWIPSA-N 378.453 4.584 0 40 GJAB O=C(Nc1cc(Cl)ccc1C(=O)Nc1nc2ccccc2[nH]1)c1cccs1 6657471 OMLASGLXYYJHMC-UHFFFAOYSA-N 396.859 4.782 0 40 GJAB Cc1ccc(NC(=O)Cn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)c(C)c1 6964535 SQXARYCFKYONKJ-UHFFFAOYSA-N 388.389 4.950 0 40 GJAB CCc1nnc(S/C(=C\c2c(OC(C)C)ccc3ccccc23)C(=O)O)[nH]1 7342593 JKXMKNLQWNBLLE-BOPFTXTBSA-N 383.473 4.525 0 40 GJAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 7928311 XWIPITXZSZMBPK-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB CC(=O)NCc1ccc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)cc1 8208624 IVJWGYJLYJQXAJ-UHFFFAOYSA-N 375.856 4.982 0 40 GJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 9346950 JEFLUSNKVKTYAF-LLVKDONJSA-N 375.906 4.978 0 40 GJAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccco4)ccc3o2)cc1 9660060 YXXJWQYIMJHWHP-UHFFFAOYSA-N 375.380 4.704 0 40 GJAB biogenic CN1CCC[C@H](CNC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)C1 9876520 WSJSILTXEANKKH-OAHLLOKOSA-N 389.952 4.761 0 40 GJAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@H](c1ccccc1Cl)O2)CCC3 11866499 XBYDDYKRDJSFFR-QGZVFWFLSA-N 380.827 4.950 0 40 GJAB Cc1ccc(CN(C(=O)c2ccc(Br)cc2)c2ccccn2)cc1 11914561 GQDCLQCHXKECEZ-UHFFFAOYSA-N 381.273 5.000 0 40 GJAB Cc1ccsc1CN(C)C(=O)CCn1c(-c2ccncc2)cc2cccnc21 12328013 ZMYNXAZTINEYDB-UHFFFAOYSA-N 390.512 4.517 0 40 GJAB COc1ccc(Cl)cc1CN(C)[C@@H](C)c1nc(N)c2c(C)c(C)sc2n1 12532849 RJRZIEIYRREYAO-NSHDSACASA-N 390.940 4.745 0 40 GJAB CC(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)s1 12561719 GYLVEYUHRZJSQY-UHFFFAOYSA-N 379.485 4.742 0 40 GJAB c1csc(-c2cc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)no2)c1 12906043 YYRSBANAROZYIN-HNNXBMFYSA-N 399.453 4.591 0 40 GJAB COc1ccc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)c(OC)c1OC 12997283 GXJKLUIJTKAUJE-UHFFFAOYSA-N 397.515 4.506 0 40 GJAB Cc1ccc(-c2nc(CN(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)co2)c(C)c1 13007616 DGVAAYAPEKMLMO-QGZVFWFLSA-N 398.528 4.555 0 40 GJAB c1ccc(-n2nnnc2Oc2cccc(CNC3CCCCCCC3)c2)cc1 13717687 DLAHAFWTRCJFIM-UHFFFAOYSA-N 377.492 4.657 0 40 GJAB CCOc1ccccc1-c1noc(COc2ccc(F)c3c2C(=O)C[C@@H]3C)n1 14369395 KHURHNYEZKKZPV-LBPRGKRZSA-N 382.391 4.543 0 40 GJAB COc1ccc(NCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1Cl 15294246 CMDBSXUROLMULG-UHFFFAOYSA-N 387.892 4.831 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccccc2Br)c1C 16549012 OJXOZFZGYFLRPM-GFCCVEGCSA-N 380.307 4.960 0 40 GJAB Cc1ccc(-c2csnn2)cc1NC(=O)Cc1csc(-c2ccccc2)n1 19715111 JZEPFTYNIZQVQL-UHFFFAOYSA-N 392.509 4.818 0 40 GJAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(OCC(C)C)cc1 20142031 FHYFZXQUUJPZDX-UHFFFAOYSA-N 395.455 4.735 0 40 GJAB Cc1ccc(CN(C)C(=O)CSCc2ccc(Br)cc2)cc1 20458366 UBYHLOMIKBZGIT-UHFFFAOYSA-N 378.335 4.649 0 40 GJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSCc2ccccc2F)c1 20460357 AWKFWUTXNCTWRJ-QGZVFWFLSA-N 375.509 4.568 0 40 GJAB CCCn1nc(NC(=O)COc2ccc(C)cc2)c2cc3cccc(C)c3nc21 21596542 JKSIASZUAXSBJZ-UHFFFAOYSA-N 388.471 4.629 0 40 GJAB CCOc1cc2c(cc1NC(=O)c1csc(-c3ccsc3)n1)O[C@H](C)C2 21837627 YRBJNJHHXMPTFX-LLVKDONJSA-N 386.498 4.846 0 40 GJAB O=C(Nc1cccc(Br)c1)c1cccnc1NCc1ccccc1 22072601 WSXJBPLFWLIXNF-UHFFFAOYSA-N 382.261 4.709 0 40 GJAB CCN(CC)CCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 22075923 XTNNEHHRNPMDMG-UHFFFAOYSA-N 380.507 4.989 0 40 GJAB CCOc1cc(C=O)ccc1OCc1nc(-c2ccc(Cl)cc2Cl)no1 22120994 MCOUDHDKQKYXHL-UHFFFAOYSA-N 393.226 4.834 0 40 GJAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(NC(=O)c2ccco2)cc1 23793012 ACEZDTWXGMXBDF-UHFFFAOYSA-N 389.455 4.775 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 24221142 ZWHQHPWLFIWEEE-HUUCEWRRSA-N 380.469 4.938 0 40 GJAB O=C(NCc1cccnc1-n1cccn1)c1ccc(-c2ccc(Cl)cc2)s1 24796140 HZVICBVXLLEGAK-UHFFFAOYSA-N 394.887 4.579 0 40 GJAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(C2CCCCC2)cc1 25044072 OLKYZLYTLHUWBB-NRFANRHFSA-N 398.572 4.599 0 40 GJAB C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc2c(c1)OCO2 32795344 OHPBFHZYQAWXBM-RBZFPXEDSA-N 398.459 4.766 0 40 GJAB Cc1cc2nc(C3CCN(CC(=O)Nc4ccccc4Cl)CC3)[nH]c2cc1C 35291739 WUYLINWPKCEKNE-UHFFFAOYSA-N 396.922 4.651 0 40 GJAB Cc1nnsc1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 36646816 IBPGVUHSAVHAPA-UHFFFAOYSA-N 377.303 4.591 0 40 GJAB COc1ccc(F)cc1-c1csc(NC(=O)CCCc2cccs2)n1 40111346 WDFZYNAGSJZKLA-UHFFFAOYSA-N 376.478 4.981 0 40 GJAB O=C(Nc1ccc(F)c(F)c1F)N1CCC(c2nc3ccccc3o2)CC1 43233833 WOBSWOMLQKYEPS-UHFFFAOYSA-N 375.350 4.657 0 40 GJAB C[C@H](NCc1ccc(Br)cc1F)c1ccc(NC(=O)C2CC2)cc1 45822186 KWTVZPBWVXIFHK-LBPRGKRZSA-N 391.284 4.788 0 40 GJAB COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 46018720 UDNAIQLEBAZQSE-UHFFFAOYSA-N 385.423 4.973 0 40 GJAB C[C@H](OC(=O)c1ccc2nc(N)sc2c1)c1nc2ccccc2n1C(F)F 46834871 GPOKYSTUQZUGPI-VIFPVBQESA-N 388.399 4.541 0 40 GJAB c1coc([C@@H](CNc2nc(-c3ccncc3)nc3ccccc23)N2CCCC2)c1 55397344 BJJZPQPPPYPVAJ-HXUWFJFHSA-N 385.471 4.534 0 40 GJAB Cc1ccc2c(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cccc2n1 57316162 QCUTUBYYFJFWAQ-UHFFFAOYSA-N 377.513 4.968 0 40 GJAB COc1ccccc1[C@@H](C)N[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 57679471 UXPAFUNOVCFBGT-RTBURBONSA-N 388.511 4.640 0 40 GJAB CC(C)N(Cc1ccccc1)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 59855501 CKZNUSROXFQCDH-SFHVURJKSA-N 388.920 4.580 0 40 GJAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Cn2ccnc2)cc1 69561080 IDWFWPPQLQZWDM-UHFFFAOYSA-N 394.887 4.961 0 40 GJAB CSc1ccc(CNC(=O)c2sc(NC3CCCCC3)nc2C)cc1 71326691 HOMIFUWPIDEZSL-UHFFFAOYSA-N 375.563 4.848 0 40 GJAB Cc1nc(C(=O)N2CCC[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)co1 72350467 ONUNRLGSPLNQAU-KRWDZBQOSA-N 395.890 4.642 0 40 GJAB O=C([C@@H]1C[C@H]1c1cccc(F)c1)N(Cc1cccc(Br)c1)C1CC1 89774408 KTSOJSVLVTZAGA-RBUKOAKNSA-N 388.280 4.883 0 40 GJAB Cc1c(C(=O)Nc2nc3c(s2)CCC3)sc2nc(C(F)(F)F)ccc12 95948737 WSGLXSGBODOSPW-UHFFFAOYSA-N 383.420 4.821 0 40 GJAB O=C(NCc1cccc(Oc2ccccn2)c1)c1cccc(Br)c1 96382637 ODTLIUWKGYYBOY-UHFFFAOYSA-N 383.245 4.566 0 40 GJAB O=C(Nc1ccc(F)cc1F)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 100419714 BMANXMJEXVVXFP-RTBURBONSA-N 385.458 4.672 0 40 GJAB COc1ccccc1CN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1)C2 100425822 QJDYWVAMMKZJCV-NHCUHLMSSA-N 395.572 4.567 0 40 GJAB CCn1cc(C(=O)Nc2cc(Cl)ccc2C)c(=O)c2cc(Cl)ccc21 181834434 JCGCASZBNXGAGF-UHFFFAOYSA-N 375.255 4.889 0 40 GJAB COc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c2ccccc12 222569358 INABBNDUOORNBW-SZFUDVHCSA-N 375.497 4.833 0 40 GJAB C[C@H]1Cc2cccc3c(=O)c(C(=O)NC(c4ccccc4)c4ccccc4)cn1c23 223096934 CSEGFAXILHOBTL-KRWDZBQOSA-N 394.474 4.638 0 40 GJAB CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223666026 SASGVIZGKGRXHD-UHFFFAOYSA-N 377.531 4.703 0 40 GJAB CCCNC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224939259 VHWPTUDNJGCORL-UHFFFAOYSA-N 385.261 4.911 0 40 GJAB CCc1ccc(CCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 225381619 NTUNSRHBUKTXOX-UHFFFAOYSA-N 383.542 4.964 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 225829526 RXDVYOOOFHPEOA-NRFANRHFSA-N 381.472 4.538 0 40 GJAB CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 226721238 GLCOOPMJKXAGSA-WWGRRREGSA-N 396.413 4.541 0 40 GJAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 243097034 IZVSAKRVXQASRA-LLVKDONJSA-N 397.689 4.947 0 40 GJAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)n1 257241839 HZVRSZIHUVNCBS-KESTWPANSA-N 392.547 4.817 0 40 GJAB CC(=O)N[C@@H]1C[C@H](c2c(OC(F)F)ccc3ccccc23)O[C@@H]2CCC[C@@H]12 257274789 NMRDLJPRWLSAMG-DODZYUBVSA-N 375.415 4.576 0 40 GJAB c1ccc(Nc2cncc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)nc1 257319743 VTXKQTCNGHOPAJ-UHFFFAOYSA-N 396.498 4.543 0 40 GJAB O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1cccnc1Cl 408621271 LDIIUZVLUYWCTK-UHFFFAOYSA-N 399.841 4.874 0 40 GJAB Cc1cccc(C)c1NC(=O)COc1ccc(C(=S)N2CCC(C)CC2)cc1 409250522 QSOBZMPXNUUNAR-UHFFFAOYSA-N 396.556 4.728 0 40 GJAB O=C1CC[C@H](c2cccc(NC(=O)N[C@H]3CC[C@@H](c4cccc(Cl)c4)C3)c2)N1 563576502 PQCHSRAXYHSOBC-UIAACRFSSA-N 397.906 4.749 0 40 GJAB Cn1c([C@@H]2CCCCN2C(=O)CCCCCn2cccc2)nc2ccccc21 604419202 LKEUUDOUOXKUQM-NRFANRHFSA-N 378.520 4.689 0 40 GJAB Cc1ccccc1[C@@H]1CC(=O)c2c(nc3c(c(C)nn3-c3ccccc3)c2N)C1 618257482 XKEKTXZTDJMDFZ-INIZCTEOSA-N 382.467 4.532 0 40 GJAB Clc1ccc(CN2CCC[C@H](c3ccnc(Nc4nccs4)n3)C2)cc1 2037834681 CCYBPGSFZITUGI-HNNXBMFYSA-N 385.924 4.710 0 40 GJAB CCOc1ccc2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)c(C)cc2c1 915637 CEIKIGWZYCAWIP-UHFFFAOYSA-N 394.496 4.875 0 40 GJAB O=C(Nc1ccccc1NC(=O)N1CCCCC1)c1ccc(C(F)(F)F)cc1 973888 XXGFQWSLNNZPKM-UHFFFAOYSA-N 391.393 4.976 0 40 GJAB CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccs4)C3)n2)cc1 1360205 WQCRNLFGGJWRQS-KRWDZBQOSA-N 381.501 4.941 0 40 GJAB Cc1ccc(C(=O)N2CCN=C2SCc2ccc(Br)cc2)cc1 4119986 MULMBPHGXPMDSI-UHFFFAOYSA-N 389.318 4.503 0 40 GJAB Cc1noc(C)c1CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 4491181 JBPVAIHRNMWKLX-UHFFFAOYSA-N 394.475 4.894 0 40 GJAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1cccc(C)c1C 4663447 KZMCVCOYUNUMGV-UHFFFAOYSA-N 387.439 4.833 0 40 GJAB O=C(NCCc1ccccc1)c1ccc(O[C@H](F)C(F)(F)C(F)(F)F)cc1 4783982 QCXHTJVTCHDAQO-INIZCTEOSA-N 391.311 4.531 0 40 GJAB CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 4794567 WONWUFOWUOJSAJ-KRWDZBQOSA-N 382.504 4.649 0 40 GJAB Cc1nc2cc(F)ccc2n1C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 4858334 DPGNPOPTYJOTEL-UHFFFAOYSA-N 395.522 4.864 0 40 GJAB C[C@H](NC(=O)CSc1ncnc2sccc12)C12CC3CC(CC(C3)C1)C2 6083360 OFZONIUTVYGVRV-PGBBXINNSA-N 387.574 4.505 0 40 GJAB COc1ccc2oc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(C)c2c1 7724370 ZIZBHNUVPYQSFR-UHFFFAOYSA-N 375.808 4.673 0 40 GJAB CC[C@@H](C)c1ccc(-n2c(S[C@@H](C)C(=O)OC)nc3ccccc3c2=O)cc1 7735498 WRWVDABRHJRVOQ-CABCVRRESA-N 396.512 4.553 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)c(C)c1 7929253 WBUVNQVEMRKLEW-JOCHJYFZSA-N 399.490 4.853 0 40 GJAB CCc1ccc([C@@H](NS(=O)(=O)c2ccc(C(C)=O)cc2)c2cccs2)cc1 8057994 CHRUROKGPWSQOO-OAQYLSRUSA-N 399.537 4.581 0 40 GJAB CCn1c(S[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)nc2ccccc21 8132704 KPOXBHOOESFHSK-IAGOWNOFSA-N 381.545 4.674 0 40 GJAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccc(Oc2ccccc2)c1 8187270 HELIXBVKHYGRAO-UHFFFAOYSA-N 390.830 4.965 0 40 GJAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccs1 10908344 XZHZWBORAMWPKD-UHFFFAOYSA-N 377.444 4.670 0 40 GJAB O=C(Nc1ccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1)C1CC1 11180874 ABKWECYBDZHHQS-UHFFFAOYSA-N 378.453 4.597 0 40 GJAB COc1ccc(OC)c(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)c1 11181427 RPMCWPIXTVRQPV-UHFFFAOYSA-N 380.469 4.843 0 40 GJAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1O 11566016 YHWXZEJAYFHZAV-UHFFFAOYSA-N 377.506 4.804 0 40 GJAB CC(C)C[C@H](NC(=O)c1ccccc1I)c1ccccc1 12788383 CCCMLCRFJNXPFE-KRWDZBQOSA-N 393.268 4.808 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(c2ccccc2)CC1 13320555 YZTOEWQWQAHYCX-UHFFFAOYSA-N 383.801 4.713 0 40 GJAB C[C@@H]1CCCCN1CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 14193810 HZXRHAHJKAVFBZ-LLVKDONJSA-N 384.332 4.930 0 40 GJAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc2ccc(C)cc2s1 15582406 PGXKUCATJDLVPC-GOSISDBHSA-N 377.469 4.507 0 40 GJAB CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)c1 16751287 WPKIPBVGYMKNQO-NRFANRHFSA-N 391.467 4.927 0 40 GJAB COc1cc(/C=C/C(=O)N2CC[C@H](C)Sc3ccccc32)cc(OC)c1OC 17525269 FVUAHICKUPFDHQ-FEAKQIBJSA-N 399.512 4.643 0 40 GJAB c1cncc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1 19339162 JFFRDVQIMFKPIG-IBGZPJMESA-N 377.444 4.583 0 40 GJAB COc1ccc([C@@H]2CCCN2Cc2ccc(-n3ccnc3C)cc2)cc1OC 19659170 ROKWZFCORIXGON-NRFANRHFSA-N 377.488 4.535 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)cc(C)c1Cl 20050067 TVKGTSWJRZESRI-INIZCTEOSA-N 375.896 4.828 0 40 GJAB CCOc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)C[C@H](C)C3)cc1 20796843 TVQDVKBNTDAZOV-OAHLLOKOSA-N 391.471 4.788 0 40 GJAB O=C(c1cc(Br)c[nH]1)N(Cc1cccs1)Cc1cccs1 24467091 BTNZOZFNZJPUQX-UHFFFAOYSA-N 381.320 4.743 0 40 GJAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 25379576 IKJQCLLYSPWOGO-VIPLHTEESA-N 390.955 4.570 0 40 GJAB Cn1c(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)nc2ccccc21 28231077 ZAAGQYQZWSDXAQ-UHFFFAOYSA-N 381.819 4.651 0 40 GJAB CC1CCC(NC(=O)c2ccccc2SCc2cn3ccccc3n2)CC1 28409436 XGXLTZDREPGNPY-UHFFFAOYSA-N 379.529 4.935 0 40 GJAB Cc1nc(C2(NC(=O)CCc3cccc(Cl)c3Cl)CCCCC2)no1 31715561 HFAQMZUZRGCYNJ-UHFFFAOYSA-N 382.291 4.593 0 40 GJAB CC(=O)c1cccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)c1 32117832 FOPYXJPOUOCKQY-UHFFFAOYSA-N 393.390 4.661 0 40 GJAB C[C@H](c1ccc(Cl)cc1Cl)N(C)c1ccc2nnc(C(F)(F)F)n2n1 32779298 WDSWZHFAYYWGDZ-MRVPVSSYSA-N 390.196 4.647 0 40 GJAB CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(c2ccc(O)cc2)CC1 40103341 NOCUUNBFAJUHQJ-UHFFFAOYSA-N 387.911 4.525 0 40 GJAB Cc1ccc(-c2n[nH]c(SCC(=O)c3sccc3Br)n2)cc1 42152346 BJJCIIDPZSAPJQ-UHFFFAOYSA-N 394.319 4.579 0 40 GJAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1Cl 59227201 HMKSAKWVZHXDRI-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCc3sccc3C2)cn1 61576304 GPEPXSMSYVQWGQ-UHFFFAOYSA-N 395.484 4.843 0 40 GJAB Cc1cc(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)ccc1N1CCCC1 65550230 LUEHWALTAHHTLO-UHFFFAOYSA-N 394.544 4.640 0 40 GJAB CSCc1nnc(S[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)o1 79024320 BQPFNAUAPATUEL-INIZCTEOSA-N 396.497 4.864 0 40 GJAB Cc1cc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1Oc1cccnc1 84093789 RTUKAECVSQQWAB-CQSZACIVSA-N 379.382 4.989 0 40 GJAB O=c1[nH]c(CN2CC=C(c3ccccc3)CC2)nc2scc(-c3ccccc3)c12 84564652 FWPVTANMKLIMDJ-UHFFFAOYSA-N 399.519 4.941 0 40 GJAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2sc(C(=O)O)cc2c1 95349833 OOPTYFPAHHKBIT-UHFFFAOYSA-N 392.436 4.744 0 40 GJAB Cc1ccc(-c2noc([C@H]3CCCN3C(=O)c3cc(F)ccc3Cl)n2)cc1 98212204 LUHZZDMTYBTGLE-QGZVFWFLSA-N 385.826 4.815 0 40 GJAB Cc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1F 101092238 UHPORMLHYQYDQW-MAUKXSAKSA-N 391.240 4.666 0 40 GJAB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c1 214092610 CVVSACUUNSYBKY-LICLKQGHSA-N 389.860 4.594 0 40 GJAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCCc2ccccc21 219051893 DOACIYZKBGFWRT-IBGZPJMESA-N 388.511 4.566 0 40 GJAB C[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 222658022 VEMSNNHHALUGJW-RMDTYCCRSA-N 385.463 4.876 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cc(C)ccc1C 224025070 GKCODLYOMIYQJP-JOCHJYFZSA-N 377.484 4.809 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccccc3Br)ccc21 225134054 WLJGQBQEXHWZOQ-UHFFFAOYSA-N 391.290 4.659 0 40 GJAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1SCc1ccccc1 225255250 LSFZKQWWNRXTHL-GOSISDBHSA-N 391.492 4.549 0 40 GJAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)cc1Cl 225473951 KBRSLWXQSOJLDO-LLVKDONJSA-N 380.872 4.703 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCC(C)CC1 225670356 HIYTYJUTESDAPL-UHFFFAOYSA-N 383.916 4.679 0 40 GJAB O=C(NC(=S)Nc1nccs1)c1sc2cc(Cl)ccc2c1Cl 408628929 YHCJMTRKQIYVDO-UHFFFAOYSA-N 388.326 4.791 0 40 GJAB N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)S1 408882920 STJOUTFGXBUQDF-NVNXTCNLSA-N 379.268 4.711 0 40 GJAB Cc1cccc(NC(=O)N2CCC[C@@H](c3nc(Cc4ccc(C)s4)no3)C2)c1 585084355 OMSRGOORVVBFSZ-MRXNPFEDSA-N 396.516 4.750 0 40 GJAB Cc1c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cccc1C(F)(F)F 675083030 VJXNOQBHTCPQJF-UHFFFAOYSA-N 399.312 4.713 0 40 GJAB COCC(=O)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2nc1Cl 1367767 WUPFKAKBQXPFHN-UHFFFAOYSA-N 382.891 4.680 0 40 GJAB Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(F)cc1)SCC(O)=N2 1431283 NSOSGJVRLNYHNF-MAUKXSAKSA-N 389.496 4.885 0 40 GJAB Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccc(Cl)c1 2394014 HMGHWFBJCIXFIM-UHFFFAOYSA-N 385.707 4.911 0 40 GJAB Cc1cc(OCC(=O)NCCOc2cccc3ccccc23)cc(C)c1Cl 2553817 VJLHVBYCSASPIC-UHFFFAOYSA-N 383.875 4.684 0 40 GJAB Fc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c(Cl)c1 2806471 XLTZQUBTWRDVRZ-UHFFFAOYSA-N 394.793 4.909 0 40 GJAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCc2ccccc2C1 3166720 QVALYUSJZNIHAX-UHFFFAOYSA-N 379.463 4.738 0 40 GJAB CCCCC[C@H](CC)Cn1c(N)c(C(=O)OCC)c2nc3ccccc3nc21 3212978 NGGPLTNYDWQNNP-HNNXBMFYSA-N 382.508 4.950 0 40 GJAB COc1ccccc1NC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 3314333 CCACDJVELQAHNK-UHFFFAOYSA-N 377.469 4.715 0 40 GJAB Cc1nc(C)c(-c2ccc(SCC(=O)c3ccc(Cl)cc3)nn2)s1 4358393 LWKKHEDXYXUCOT-UHFFFAOYSA-N 375.906 4.845 0 40 GJAB CN(C)CCN(C(=O)/C=C/c1cccs1)c1nc2ccc(Cl)cc2s1 5115316 MEJNTDGKEUWWLV-SOFGYWHQSA-N 391.949 4.619 0 40 GJAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)o2)cc1 5864778 ZWIKUVOODKXCND-UHFFFAOYSA-N 393.390 4.795 0 40 GJAB Cc1nc(SCC(=O)c2cccc(N3CCCC3=O)c2)n(C2CCCC2)c1C 7178798 RFCMRRIDYGBKIB-UHFFFAOYSA-N 397.544 4.717 0 40 GJAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 7281212 TULAYVJSGVRKQF-QFIPXVFZSA-N 397.421 4.745 0 40 GJAB Cc1csc(SCc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)n1 7597748 BMUAGRLKJDIAKL-UHFFFAOYSA-N 384.482 4.725 0 40 GJAB Cn1ccnc1[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 10260874 XXZHVZOIAZALDA-MRXNPFEDSA-N 375.259 4.638 0 40 GJAB COc1ccc2cc(CNCc3c(C)nn(Cc4ccccc4)c3C)ccc2c1 11103366 ODKMHXXRGWOOTI-UHFFFAOYSA-N 385.511 5.000 0 40 GJAB O=c1c2c(C3CC3)csc2nc(SC[C@H]2CCCO2)n1-c1ccccc1 11597771 MQAZNYRGDMVGCU-OAHLLOKOSA-N 384.526 4.596 0 40 GJAB CCCCOc1ccc(-c2nonc2NC(=O)COc2cc(C)cc(C)c2)cc1 11914183 DLJAHJMIDMAHRE-UHFFFAOYSA-N 395.459 4.550 0 40 GJAB Cc1cccc(C)c1OCC(=O)N(Cc1ccc(Cl)cc1)c1ccccn1 11914544 GMQLMGVDBYKCQZ-UHFFFAOYSA-N 380.875 4.964 0 40 GJAB Cc1cc(C(=O)Cn2c([C@H](C)O)nc3ccccc32)c(C)n1Cc1cccs1 12634561 DOVPWUBXTAPPRL-INIZCTEOSA-N 393.512 4.501 0 40 GJAB O=C(c1cnc2ccccc2n1)N1CCc2sccc2[C@H]1c1cccs1 12791279 AOSAIMOFZLZPKX-IBGZPJMESA-N 377.494 4.541 0 40 GJAB Brc1cnc2nc(SCc3cc(-c4ccccc4)on3)[nH]c2c1 12817851 FZXXONYHJUNPER-UHFFFAOYSA-N 387.262 4.668 0 40 GJAB CC[C@H]1CCc2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2C1 12880612 SJIYBYGJOSWZBE-KRWDZBQOSA-N 382.573 4.657 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2cc(Cl)sc2Cl)N2CCCC2)cc1 12933071 MJRFWPMKTVMJSO-OAHLLOKOSA-N 399.343 4.630 0 40 GJAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccccc1N1CCCC1=O 14129137 UIRBDPRETGXBQO-UHFFFAOYSA-N 386.451 4.568 0 40 GJAB O=C1C[C@@H](c2ccc(F)cc2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081476 CAUKDTWGBGSLHN-AWEZNQCLSA-N 385.391 4.866 0 40 GJAB CCc1ccc([C@@H](NCc2cc(=O)n3c(C)csc3n2)c2cccs2)cc1 15366501 UBFLOJLXSYHTCH-HXUWFJFHSA-N 395.553 4.568 0 40 GJAB Cc1nc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)n(C)c2)cs1 16202499 FOZJVUPVSMYFPW-UHFFFAOYSA-N 381.379 4.608 0 40 GJAB CN(C(=O)c1ccccc1C(=O)OCc1cccc(F)c1F)c1ccccc1 16662796 PRIPLNSQIKENBU-UHFFFAOYSA-N 381.378 4.598 0 40 GJAB COc1ccccc1NC(=O)c1sc(=S)n(-c2cc(C)ccc2C)c1N 17026622 GPHMGEPMMQXPCR-UHFFFAOYSA-N 385.514 4.728 0 40 GJAB COc1ccc(Cn2c(=S)[nH]c3sc(Cc4ccccc4)cc3c2=O)cc1 17080665 NMVZMGNMYUMXST-UHFFFAOYSA-N 394.521 4.768 0 40 GJAB COc1ccc(Nc2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)cc1 18128515 QCYDFBYWJOJOQH-AWEZNQCLSA-N 379.847 4.795 0 40 GJAB COc1cccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1 19359706 WXXAWTDUWDOAHX-UHFFFAOYSA-N 388.511 4.805 0 40 GJAB Cc1c(-c2cncn2C(C)(C)CN2CCC(C)CC2)cnn1Cc1ccccc1 19654452 YJPKMWHHEDAWIJ-UHFFFAOYSA-N 391.563 4.570 0 40 GJAB COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610493 YVQBGRVJKPEXBN-UHFFFAOYSA-N 386.455 4.805 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CNc1ncc(C(F)(F)F)cc1Cl 20669313 SDZHRDGYSGGIAH-UHFFFAOYSA-N 378.181 4.766 0 40 GJAB Cc1ccc(-c2nc3ccccc3c(=O)n2Nc2nc3ccccc3s2)cc1 20799321 WIMPGOFFLFPXBV-UHFFFAOYSA-N 384.464 4.857 0 40 GJAB Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)N1CCN(Cc2ccccc2)CC1 21486919 BSOZGPTZOJPAJZ-AREMUKBSSA-N 396.538 4.779 0 40 GJAB COc1cc(C2SCCS2)ccc1OC(=O)[C@]1(C)CC1(Cl)Cl 22191743 YHSAZPMMOVQQTR-AWEZNQCLSA-N 379.330 4.663 0 40 GJAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1cccc(C(F)(F)F)c1 32610678 IOUOCQFBSAJIRZ-UHFFFAOYSA-N 397.759 4.995 0 40 GJAB COc1ccc(CN(C)Cc2c(-c3ccccc3)nc3ccccn23)cc1OC 32751375 APJAKKKZVBIDSG-UHFFFAOYSA-N 387.483 4.651 0 40 GJAB COc1cccc(-n2ccnc2SCc2noc(-c3ccc(C)cc3)n2)c1 32906010 MJHVQKNWYHVKAA-UHFFFAOYSA-N 378.457 4.532 0 40 GJAB Cc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(Cl)cc1Cl 33712121 DNBKWLAWUULWDJ-UHFFFAOYSA-N 398.355 4.945 0 40 GJAB CCCCc1nc(N(Cc2ccccc2)Cc2ccccc2)c2ncn(C)c2n1 38224994 PNNFBLVUNIKSBC-UHFFFAOYSA-N 385.515 4.913 0 40 GJAB CN(C)c1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 38699976 CALAMPKKVDXUQK-UHFFFAOYSA-N 399.494 4.598 0 40 GJAB O=C(Nc1cccc(Br)c1)Nc1cccc(OC(F)(F)F)c1 51354360 JEGZEBFHUKVULR-UHFFFAOYSA-N 375.144 4.992 0 40 GJAB CC(=O)Nc1cccc(Nc2nnc(Sc3nc4ccccc4o3)s2)c1 51824193 MLUWCNXQUBFFIS-UHFFFAOYSA-N 383.458 4.533 0 40 GJAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(C)=O 72215290 UTSABZZLJWPEFS-YJBOKZPZSA-N 375.513 4.695 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(SC(C)(C)C)nc2)cc1 72217370 VNDLXSPZNJNUGQ-GOSISDBHSA-N 390.574 4.806 0 40 GJAB C[C@H]1Cc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc2N1 78404128 IBBWGBXUUCLSFJ-HNNXBMFYSA-N 380.469 4.636 0 40 GJAB CCc1cc(N[C@@H](C)c2ccc(-n3ccnc3C)cc2)nc(-c2ccccn2)n1 79046629 QBOSFYMYJHQOPO-INIZCTEOSA-N 384.487 4.768 0 40 GJAB O=C(N[C@H](CCCO)c1ccccc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 89826212 MMZSDAKWUXKTFY-CEXWTWQISA-N 378.299 4.727 0 40 GJAB O=C(Nc1nc(-c2ccccc2F)cs1)c1cccnc1Oc1cccnc1 95957839 BFQSNSJFTHCPNX-UHFFFAOYSA-N 392.415 4.784 0 40 GJAB c1ccc(-c2[nH]c3ccccc3c2-c2csc(CN3CCOCC3)n2)cc1 97212560 LSEOJLCHTLBPMM-UHFFFAOYSA-N 375.497 4.791 0 40 GJAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc3ccccc3c2)cc1 100390315 RFOSGQPYOSFPEK-NVXDSCFRSA-N 395.458 4.730 0 40 GJAB O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 101840900 QWBBXDUOEZNXBY-UHFFFAOYSA-N 395.261 4.623 0 40 GJAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 103718900 LHLHHPDFCWNWTC-NSHDSACASA-N 397.689 4.947 0 40 GJAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(Br)c2)cc1OC 216453484 VWXQKYYHGMJAJV-LLVKDONJSA-N 396.306 4.586 0 40 GJAB O=C(c1cc(=O)c2ccccc2o1)N1CCS[C@H](c2ccccc2Cl)CC1 219030755 MRHWVFBDZLHFIN-FQEVSTJZSA-N 399.899 4.767 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1ccco1 223339734 NXVXNKIGLCBGAV-LEWJYISDSA-N 392.528 4.764 0 40 GJAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223488031 CYUIZWHSGULWOF-JOCHJYFZSA-N 398.522 4.858 0 40 GJAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc(OC)cc1 224602037 CZWUUYUUZZXQKV-UHFFFAOYSA-N 383.488 4.689 0 40 GJAB CCOc1ccc(-c2cnc(CCC(=O)N[C@@H](C)CCc3ccccc3)o2)cc1 224862907 SWZYSDOZXIPULH-SFHVURJKSA-N 392.499 4.810 0 40 GJAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225163551 AFNYQYLXIDEQTG-KRWDZBQOSA-N 384.501 4.748 0 40 GJAB Cc1ccc(C(=O)N2CCS/C2=C/c2csc(-c3cccnc3)n2)cc1 225262748 DLVOKGRVDDHMDO-WOJGMQOQSA-N 379.510 4.701 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 225781859 LDFISOHSWNEQMQ-CQSZACIVSA-N 389.879 4.964 0 40 GJAB O=C(NCc1ccco1)c1scc2sc(N3CCCc4ccccc43)nc12 390832112 XIPVHKRCAGYGIF-UHFFFAOYSA-N 395.509 4.965 0 40 GJAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1cccc(F)c1 408618641 DUGVSQHRNFVHNI-UHFFFAOYSA-N 377.655 4.913 0 40 GJAB CCc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)cc1 408626562 IDECXMHZHGTSQF-UHFFFAOYSA-N 381.501 4.916 0 40 GJAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N(C)Cc2ccccc2)cc1 408674648 AXZDRSQOKVUNFV-UHFFFAOYSA-N 382.463 4.756 0 40 GJAB Cc1cc(Br)c(NC(=O)COC(=O)c2ccccc2Cl)cc1C 409200906 TWDLNVIJWRXFJK-UHFFFAOYSA-N 396.668 4.515 0 40 GJAB Cc1cccc(NC(=O)Nc2cccc3c2N(Cc2nnc(C)s2)CCC3)c1 539118199 ZXAQLWILHMASEM-UHFFFAOYSA-N 393.516 4.752 0 40 GJAB Cc1ccc(NC(=O)c2ccc(NC(=O)NCc3ccc(F)cc3)cc2)cc1 586614626 MIKBIJHZDKBICU-UHFFFAOYSA-N 377.419 4.708 0 40 GJAB O=C(c1cnnn1-c1cccc(F)c1)N1CCCCC[C@H]1c1ccc(Cl)cc1 1126108055 QXKOFUDNVGXSFO-IBGZPJMESA-N 398.869 4.817 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Oc3ccc(F)cc3)nc2)cc1 1628775566 KLYWWTDBUMHSHH-OAQYLSRUSA-N 392.430 4.999 0 40 GJAB O=C(NCc1ccc(Cl)cc1)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775978972 WRCSDZYDMGHWND-SFHVURJKSA-N 386.904 4.601 0 40 GJAB Fc1cc(Br)cc(OCOc2cc(F)cc(Br)c2)c1 2362803862 VRKQWNZQGRZAIO-UHFFFAOYSA-N 394.009 4.905 0 40 GJAB Cc1cc(F)ccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N 661148 QGRUCVADMOKNOA-UHFFFAOYSA-N 378.432 4.640 0 40 GJAB CCOc1ccc(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2Cl)cc1 1006644 CEWBPUXRXXYRES-UHFFFAOYSA-N 388.895 4.767 0 40 GJAB CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 1288653 USTRDCBJJNWRST-UHFFFAOYSA-N 386.542 4.719 0 40 GJAB CCOc1ccc(NC(=O)N2CCC(C(=O)c3cccc(Cl)c3)CC2)cc1 1336657 ABOSJSRZKNYDOG-UHFFFAOYSA-N 386.879 4.866 0 40 GJAB CCC(=O)OCc1c(C(F)(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1 1391478 JMAHTVTXAYNCGY-UHFFFAOYSA-N 396.287 4.703 0 40 GJAB Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NC[C@@H]1CCCO1 1469222 FUPUTEUMRXAWPI-KRWDZBQOSA-N 380.875 4.772 0 40 GJAB O=C(NC(Cl)=C(Cl)Cl)Nc1cccnc1Oc1ccc(F)cc1 2156655 KYVVTQGZJBWKME-UHFFFAOYSA-N 376.602 4.978 0 40 GJAB Cc1ccccc1-c1nsc(SCC(=O)Nc2nc3ccccc3s2)n1 2917613 AFLXVSNPYOOZEH-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB Cc1ccc(C)c(NC(=O)OCCNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 3087650 CNAINYWIMFQXLD-BBRMVZONSA-N 399.318 4.559 0 40 GJAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccccc1OC(F)F 3291652 NXZBCKZLOWMFAB-NTUHNPAUSA-N 384.165 4.939 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 3295476 JZIFNFJHGFNQRB-UHFFFAOYSA-N 383.313 4.833 0 40 GJAB CCC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1ccc(Br)cc1 4078497 ZEBLPMWQWPZKKG-KRWDZBQOSA-N 387.277 4.545 0 40 GJAB Cc1cccc(C)c1-n1nnnc1C(C)(C)Nc1cccc(C(F)(F)F)c1 4254213 VOUQOYLLSPRRLL-UHFFFAOYSA-N 375.398 4.645 0 40 GJAB COc1cccc(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)c1 4328491 UXFQKGDQPLVQRS-UHFFFAOYSA-N 391.905 4.745 0 40 GJAB CCN(CC)c1nc2ccc(Cl)cc2n2c(/C=C/c3ccccc3)nnc12 4648775 JCQDBEVYOMMOBR-JLHYYAGUSA-N 377.879 4.948 0 40 GJAB Cc1ccc(Sc2ncccc2C(=O)NCCc2c[nH]c3ccccc23)cc1 5218235 JZHANKKTGYDGST-UHFFFAOYSA-N 387.508 4.995 0 40 GJAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(C)cc2)cc1 5256208 HHVJXEMZJPWAMC-QFIPXVFZSA-N 375.472 4.832 0 40 GJAB O=C(COC(=O)c1ccc(C2SCCS2)cc1)c1ccc2c(c1)CCC2 5584593 QIJDIDGJRBHARM-UHFFFAOYSA-N 384.522 4.694 0 40 GJAB CCc1nnc(NC(=O)c2oc3ccccc3c2COc2ccccc2)s1 6790221 MONPYPXBJHMEIS-UHFFFAOYSA-N 379.441 4.678 0 40 GJAB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1cccnc1 6962572 BCCYAUAZWCLISE-ZHUAHHRVSA-N 382.533 4.578 0 40 GJAB CC(=O)NCCc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 7275287 CBWZRSIUAUKWLU-UHFFFAOYSA-N 393.537 4.689 0 40 GJAB Cc1ccc(-c2noc(CCC(=O)NC(c3ccccc3)c3ccccc3)n2)cc1 7461422 VPYWJQBPQXTTQR-UHFFFAOYSA-N 397.478 4.883 0 40 GJAB Cc1ccccc1CNC(=O)c1cc(Br)c(Br)s1 7976217 PEVPBYSINOHSFU-UHFFFAOYSA-N 389.112 4.512 0 40 GJAB CCc1nnc(NC(=O)c2ccccc2NC(=O)CCC2CCCCC2)s1 9668460 ZDLICSDNLCFANK-UHFFFAOYSA-N 386.521 4.652 0 40 GJAB O=C(c1ccc(OC2CSC2)cc1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12181089 GWXZSTOXUQXBON-CTXDPNEZSA-N 397.515 4.871 0 40 GJAB CNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 15560523 QSJFIAATISNNFP-UHFFFAOYSA-N 381.435 4.514 0 40 GJAB CC(CNC(=O)c1cc2ccccc2oc1=O)(c1ccccc1)c1ccccc1 16176695 NPNPSLQEXBUNSD-UHFFFAOYSA-N 383.447 4.529 0 40 GJAB CCCCCNC(=O)CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1 16849210 SKOQWZMTOKPMHA-UHFFFAOYSA-N 394.928 4.680 0 40 GJAB COc1ccc(CN(CC2CCCCC2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 19120627 STOCVJGYOJDSQH-ZJSXRUAMSA-N 398.547 4.632 0 40 GJAB Cc1cc(C(=O)NCCc2c[nH]c3cccc(C4(O)CCCC4)c23)sc1C 19124774 CRMDZVNDWKDWIY-UHFFFAOYSA-N 382.529 4.580 0 40 GJAB c1cc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)ccn1 19346363 OPJVEWKOJSTLBX-IBGZPJMESA-N 377.444 4.583 0 40 GJAB O=C(C1[C@H]2CCCC[C@@H]12)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 19369468 QTTHHWQAKPVMDW-VSGJHWFKSA-N 389.539 4.597 0 40 GJAB Cc1ccc(C)c(SCCc2nn3c(Cc4ccccc4F)nnc3s2)c1 19910071 WKUAVKJPMHPXPI-UHFFFAOYSA-N 398.532 4.867 0 40 GJAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 20140038 OUAUBNBRFSZMBX-UHFFFAOYSA-N 392.194 4.910 0 40 GJAB O=C(/C(=C/c1ccc(-c2ccccc2Cl)o1)c1ccccc1)N1CCOCC1 23873364 VVFAKQMIIVGNIZ-CAPFRKAQSA-N 393.870 4.999 0 40 GJAB CC(C)CC(=O)Nc1nnc(-c2ccccc2-c2cccc(C(=O)O)c2)s1 27914166 IFXBDHIVBMIWCF-UHFFFAOYSA-N 381.457 4.555 0 40 GJAB Cc1c(C(=O)N(Cc2ccccc2F)C[C@H]2CCCO2)oc2ccc(F)cc12 28250970 BAVAWPVFPKLAIS-QGZVFWFLSA-N 385.410 4.841 0 40 GJAB CCCCOc1ccc(S(=O)(=O)NCc2cccs2)c2ccccc12 31904031 RRQKEYBONCUPPZ-UHFFFAOYSA-N 375.515 4.559 0 40 GJAB O=C(c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)N1CCCCCC1 32666245 MVQVZLBELHKJBM-UHFFFAOYSA-N 388.467 4.689 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)o1 40128020 UDIDPCSOHYOFGW-UHFFFAOYSA-N 381.472 4.566 0 40 GJAB Cc1cc(=O)[nH]c2cc(NC(=O)C3c4ccccc4Oc4ccccc43)ccc12 49031089 GZBYEVWULCTAGD-UHFFFAOYSA-N 382.419 4.713 0 40 GJAB CCOC(=O)c1cc2cc(NC(=O)N(C)Cc3cnc(C)s3)ccc2s1 58280128 GQQMDXFMTLLSOH-UHFFFAOYSA-N 389.502 4.507 0 40 GJAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(F)cc1Br 58618508 DSWMQFYJXSWLNB-UHFFFAOYSA-N 390.174 4.879 0 40 GJAB CCCCN(CC(F)(F)F)C(=O)c1sc2nc(C3CC3)nc(C)c2c1C 59252418 YBBPHYSZYIPUCJ-UHFFFAOYSA-N 385.455 4.990 0 40 GJAB CCOc1ccc(CN(C(=O)c2ccncc2)c2ccc(OC)c(Cl)c2)cc1 60637410 JFXHBXCSSCQNKG-UHFFFAOYSA-N 396.874 4.989 0 40 GJAB C[C@H]1CN(C(=S)Nc2ccc(OC(F)(F)F)cc2)C[C@@H](c2ccccc2)O1 63177105 XHUSSOFEBLKTHW-GUYCJALGSA-N 396.434 4.744 0 40 GJAB O=c1c2ccccc2nc(SCc2ccccc2)n1Cc1ccc(F)cc1 67259248 OFSLIDFBTRMLFK-UHFFFAOYSA-N 376.456 4.876 0 40 GJAB FC(F)(F)c1cc(N2CCN(Cc3cccs3)CC2)c2ccccc2n1 89866631 XRLPTNLFQUAIIS-UHFFFAOYSA-N 377.435 4.637 0 40 GJAB CCNC(=O)N1CCC(N[C@H](c2ccccc2)c2cccc3ccccc23)CC1 95462806 GVOPOOJTBFDKCK-XMMPIXPASA-N 387.527 4.713 0 40 GJAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1c(F)cccc1F 96119734 ABUIBHAWORWZBU-UHFFFAOYSA-N 397.406 4.919 0 40 GJAB Fc1ccccc1-c1noc(-c2ncn3c2CO[C@@H](c2ccccc2Cl)C3)n1 97077922 RGWYRSSVLKIILN-QGZVFWFLSA-N 396.809 4.664 0 40 GJAB C[C@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(OC(C)(C)C)cc1 97143461 LUBZERGYXDEYDJ-JTSKRJEESA-N 396.531 4.832 0 40 GJAB Cc1cc(C)cc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 100423347 YWXMVOUIRFGRES-VXKWHMMOSA-N 379.573 4.785 0 40 GJAB Cc1cccc(NC(=S)N2[C@H]3CCC[C@H]2CC(NC(=O)C(C)(C)C)C3)c1C 100427105 JZRBXOHJGFWJHT-ROUUACIJSA-N 387.593 4.548 0 40 GJAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(Br)cc1Cl 218944173 SIWDULUILCPKMA-ZDUSSCGKSA-N 396.712 4.619 0 40 GJAB Cc1cc(C)c([C@H](C)NC(=O)c2ccccc2I)cc1C 223403950 GARPRTXQVHKFPP-AWEZNQCLSA-N 393.268 4.707 0 40 GJAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1 223784217 OZHINMHXDGFRPT-OALUTQOASA-N 381.526 4.719 0 40 GJAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 224909837 XMDSZQZZOYXWIV-KRWDZBQOSA-N 380.488 4.651 0 40 GJAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3Cc3ccco3)N21 260786487 XPLXNRRUGMZVHA-XPGWFJOJSA-N 378.501 4.504 0 40 GJAB Cc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C 260941299 SIRJPPKBGNFVKI-CTNGQTDRSA-N 382.523 4.840 0 40 GJAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1[C@H]2CC[C@H]1c1ccccc12 527271251 MCXSDRDJFNZRGF-FKBYEOEOSA-N 376.500 4.558 0 40 GJAB O=C(NCC[C@@H](CCO)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 575608410 TWGQEEXIDAILBQ-INIZCTEOSA-N 391.964 4.886 0 40 GJAB C[C@@H](NC(=O)c1sc(=S)n2c1nc(O)c1sccc12)c1ccccc1 575614885 BJUXKOVORACETR-SECBINFHSA-N 387.511 4.537 0 40 GJAB COc1ccc(-c2ccccc2)cc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCCC[C@H]2O1 585261184 SWFSHXVQLANBKE-IVGWJTKZSA-N 379.500 4.887 0 40 GJAB CCOc1ccc(-c2nnc(CSc3ccccc3OC)o2)cc1OCC 1255017538 XCRMHQGQABXGEF-UHFFFAOYSA-N 386.473 4.835 0 40 GJAB Cc1cc(S(=O)(=O)Oc2ccc3ccccc3c2)c(C)cc1Br 1561071503 QWOMRKFVDWFASY-UHFFFAOYSA-N 391.286 4.987 0 40 GJAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1ccc(Br)cc1 829690 ACWNSCFYNVDKPT-LHHJGKSTSA-N 398.590 4.725 0 40 GJAB CCOc1ccc(NC(=O)c2cccc(OC(=S)N3CCC(C)CC3)c2)cc1 978842 HRMLGALMEFEADK-UHFFFAOYSA-N 398.528 4.733 0 40 GJAB CCOc1ccc2[nH]c(=O)c(-c3nc4ccc(C)cn4c3NC(C)(C)C)cc2c1 1330415 DWKGEXKKPSFPRZ-UHFFFAOYSA-N 390.487 4.760 0 40 GJAB C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccccc1 1381810 IRNQMPMVWMZBIK-MRXNPFEDSA-N 390.870 4.922 0 40 GJAB CN(C)CC(CN(C)C)C(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 1607908 SPVVRWWJROBYGB-UHFFFAOYSA-N 395.330 4.708 0 40 GJAB CCCCOC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 1747439 OWONGIIGDCASQL-NXEZZACHSA-N 397.682 4.689 0 40 GJAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 2179087 HKWVBDYKEXYDCN-UHFFFAOYSA-N 386.542 4.837 0 40 GJAB CCOc1ccc(-c2nnc(Nc3ccc(C(N)=O)cc3)c3ccccc23)cc1 2374659 HFRPIMNXEYYTCQ-UHFFFAOYSA-N 384.439 4.538 0 40 GJAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)sc2c1CCCC2 3284078 FRYUEHRURYZFRU-CQSZACIVSA-N 387.501 4.518 0 40 GJAB O=C(CCCc1cccs1)Nc1nnc(SCc2ccc(F)cc2)s1 3344616 DVKNKHBPZKIAIV-UHFFFAOYSA-N 393.534 4.992 0 40 GJAB Cc1ccc(OCC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 3655288 QDVXLAVOMRWWPK-UHFFFAOYSA-N 385.419 4.990 0 40 GJAB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(C)=O)[C@H]3c2ccc(OC)cc2)cc1 4257785 VGVQKVUMSKPNJG-BYBLBYPZSA-N 390.483 4.847 0 40 GJAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)c1ccc(F)cc1 4393786 ILHKCJNXOXZSCZ-AWEZNQCLSA-N 377.415 4.681 0 40 GJAB CCCCCCC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)C1 4548581 GNGYZLLGMKRFLH-INIZCTEOSA-N 376.806 4.763 0 40 GJAB CCCn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1-c1ccncc1 4800142 IAEXHNXYTGWKLN-UHFFFAOYSA-N 392.528 4.604 0 40 GJAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1 5295463 VQBAIGNOMDCERN-KRWDZBQOSA-N 385.335 4.587 0 40 GJAB Cc1ccc(-c2noc(CN(C(=O)Cc3ccccc3)C3CCCCC3)n2)cc1 5451751 JTXDVPRYOCSUSN-UHFFFAOYSA-N 389.499 4.949 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1OCC 5466587 SENCENFEPIXUIB-UHFFFAOYSA-N 382.229 4.638 0 40 GJAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(Oc2ccccc2)cc1 5901220 IMXHHMKGEILLTN-UHFFFAOYSA-N 398.418 4.823 0 40 GJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1ccc(OC)cc1 6026519 DQCJHYKTYDMKOX-FQEVSTJZSA-N 396.512 4.813 0 40 GJAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1cccc(Cl)c1 6480402 MAVZKOZXTFMCCK-UHFFFAOYSA-N 379.272 4.509 0 40 GJAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1cccc(Cl)c1 6882094 UZYQFGRHZNORKV-CQSZACIVSA-N 385.920 4.768 0 40 GJAB COc1ccc(-c2csc(NC(=O)[C@H](C)Oc3cccc(C)c3)n2)cc1OC 6948556 BFIVNJCBFFLAOY-AWEZNQCLSA-N 398.484 4.542 0 40 GJAB O=C(Cc1c(Cl)cccc1Cl)NC[C@H](c1cccs1)N1CCCC1 7687056 YXLFCEZYBPCYHO-MRXNPFEDSA-N 383.344 4.551 0 40 GJAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7882041 HSZWXFGLOVQBHF-CYBMUJFWSA-N 377.271 4.547 0 40 GJAB Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 8071820 XHOBVXFKMIVZOH-UHFFFAOYSA-N 376.243 4.923 0 40 GJAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 9827783 ZLHXMNHPXYZENW-UHFFFAOYSA-N 388.423 4.720 0 40 GJAB Cc1sc2nc(CSc3ncc(-c4ccc(F)cc4)o3)nc(N)c2c1C 10847436 CGDNIARQFIJMEM-UHFFFAOYSA-N 386.477 4.977 0 40 GJAB Cc1onc(C(C)C)c1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)c(C)s1 12191865 VWDQHKDMESUXIU-UHFFFAOYSA-N 399.472 4.562 0 40 GJAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N[C@@H]3CCc4ccccc43)c2C)cc1 12901981 NTKDNGKQQGXBRD-DQRYEYLNSA-N 385.511 4.674 0 40 GJAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 13788252 OSISCJFQCRVLLR-UHFFFAOYSA-N 382.891 4.932 0 40 GJAB COC(=O)c1c(C)n(CCOc2ccc(C(C)(C)C)cc2)c2ccc(O)cc12 16249696 CXOKXFUEMDSWPK-UHFFFAOYSA-N 381.472 4.818 0 40 GJAB CCCCc1ccc(S(=O)(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 17078995 MDMDUZORPMPPGC-UHFFFAOYSA-N 386.561 4.816 0 40 GJAB Cc1cc(C)cc(NCc2cc3c(C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)c1 19569646 OANHLPNCPMZXJM-UHFFFAOYSA-N 392.890 4.905 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1Cl 20112086 OGKASQUSMNJXOI-SFHVURJKSA-N 389.879 4.930 0 40 GJAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 20609917 DHKFCTBARGRTPI-UHFFFAOYSA-N 376.847 4.943 0 40 GJAB Cc1occc1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 22191438 PLCNRMXFOXOSAC-UHFFFAOYSA-N 377.263 4.650 0 40 GJAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(NCC(C)C)s2)c(C)c1 23226908 UQXVLLKZGNJLRZ-AWEZNQCLSA-N 378.567 4.651 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)c2nc(-c3ccccc3)oc2C)c(OC)c1 23312772 CTXYCFHFZXCFEM-LJQANCHMSA-N 392.455 4.645 0 40 GJAB CCCCCn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 27789108 SZUIQDKBJDHODX-SFHVURJKSA-N 379.479 4.882 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)n1 27970413 RMFBZOZYATZXOC-UHFFFAOYSA-N 391.368 4.958 0 40 GJAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1csc(-c2ccco2)n1 29647385 BOMMWJAYWXDOLM-UHFFFAOYSA-N 395.465 4.714 0 40 GJAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C2CC2)[C@@H](C)C2CC2)cs1 32827448 GILZLYJKOJXXRT-VOMSXAGXSA-N 395.528 4.630 0 40 GJAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C/c1cccc2ccccc12 32879817 YACUSWWLNLVQQV-CCEZHUSRSA-N 381.479 4.756 0 40 GJAB COc1cc(NC(=S)NCCSCc2ccccc2)c(OC)cc1Cl 33876264 SDDKJMFLVMLOAA-UHFFFAOYSA-N 396.965 4.577 0 40 GJAB Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccc(F)cc2)c2ccccc2)cc1 39585253 JLSRVOMLDZIHIT-JOCHJYFZSA-N 377.415 4.600 0 40 GJAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccc2c(c1)OCCCO2 40023331 JVKZFWUYCKDEQN-UHFFFAOYSA-N 392.480 4.788 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccccc1C 44900816 NATLNBLUUASDED-GOSISDBHSA-N 377.937 4.855 0 40 GJAB CC[C@@H]1CCCCN1C(=O)CSc1nc(C(F)(F)F)nc2ccccc12 45660860 RFCIULZUDWWHMO-GFCCVEGCSA-N 383.439 4.532 0 40 GJAB CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2C)c1 52410795 ZULDGRZEYKAOFJ-UHFFFAOYSA-N 381.259 4.668 0 40 GJAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 59433396 CKGWEVNGNACHBT-ZQFKLAOWSA-N 397.449 4.787 0 40 GJAB CCOC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)c1 67339500 WKWPRKOQGBFEMK-BQYQJAHWSA-N 399.830 4.923 0 40 GJAB C[C@@H]1CN(c2ccc(NC(=O)Nc3cccc4cccnc34)cc2F)C[C@@H](C)O1 71831264 YMVHVBHKOXGHPL-HUUCEWRRSA-N 394.450 4.632 0 40 GJAB COc1c(C)cccc1C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72229975 BWJYFZXRBVTREL-HXUWFJFHSA-N 381.859 4.991 0 40 GJAB COc1ccc2cc(C(=O)N3CCC[C@H](c4nc(C(C)C)cs4)C3)[nH]c2c1 72297218 UQCZWYOOEBUDOZ-HNNXBMFYSA-N 383.517 4.776 0 40 GJAB c1coc(CNc2ncc(-c3ccc4c(c3)OCO4)c(-c3cccs3)n2)c1 72339762 SXPOUQJELYSEJA-UHFFFAOYSA-N 377.425 4.806 0 40 GJAB COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4CC(C)C)cc1 85879179 WBCQLYOJYJQDBX-AWEZNQCLSA-N 394.423 4.613 0 40 GJAB biogenic CC(=O)N1CCCc2cc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)ccc21 158980630 ZOSHILPUBCQOGR-UHFFFAOYSA-N 395.846 4.546 0 40 GJAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)cc1C 222844034 SHCWMEVYDVFDCZ-YADHBBJMSA-N 390.556 4.870 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 222931067 UPEVESMPBNPRIX-NHCUHLMSSA-N 394.519 4.640 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)CC1 223223857 GYHRVZLZBHPUIC-LJQANCHMSA-N 376.544 4.573 0 40 GJAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCC(C)C)s1 224132070 YJLOPNHSYCTGDD-ZDUSSCGKSA-N 385.942 4.736 0 40 GJAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C 224396323 UWHROEINNMNWGZ-NHCUHLMSSA-N 394.519 4.836 0 40 GJAB COc1ccc2cc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2c1 224895800 JHVGFEVPRIXDBJ-UHFFFAOYSA-N 397.374 4.548 0 40 GJAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OCC 225064854 ISFMHIFENUQYRF-UHFFFAOYSA-N 389.451 4.967 0 40 GJAB CCOc1ccccc1NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225828767 WRSRHBOMXVECRC-UHFFFAOYSA-N 387.439 4.860 0 40 GJAB COc1ccc2ccccc2c1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260784404 WCFJTWVQURELEN-XMDBHEJHSA-N 375.497 4.833 0 40 GJAB O=C(Oc1cccc2cccnc12)c1nn(Cc2ccc(F)cc2)c2ccccc12 299817231 NYHGKZZRRCVGAU-UHFFFAOYSA-N 397.409 4.991 0 40 GJAB in-vitro CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cccc(OC)c1 408560933 FTNHSSFDSXYVRN-XDOYNYLZSA-N 386.904 4.948 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Cl)c1OCC 409008958 ASXIGSPZKLEHTP-KBVGCWLLSA-N 383.897 4.972 0 40 GJAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(C(C)C)C3=O)o2)cc1 409023601 IIHLPKVJKFUYCZ-GZTJUZNOSA-N 385.441 4.568 0 40 GJAB COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1cccc(-c3ncco3)c1C)C2 579202840 ONNXHUJFTVFVQC-UHFFFAOYSA-N 389.455 4.738 0 40 GJAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3CC/C=C\CC/C=C/CC[C@@H]23)cc1OC 584904343 HIORFBZGFBAVJO-NPQLMXMESA-N 383.532 4.691 0 40 GJAB CN(C)C1(CNc2nc(C(F)(F)F)nc3ccc(F)cc23)CCCCCC1 1615566744 BPWYNVXYCLSLTN-UHFFFAOYSA-N 384.421 4.854 0 40 GJAB Cc1[nH]nc(NC(=O)[C@@H](C)c2cn(C)c3ccccc23)c1-c1ccc(F)cc1 1647794701 OQOJTDWSIVBWQR-ZDUSSCGKSA-N 376.435 4.758 0 40 GJAB CC(C)c1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2Br)cc1 1662999278 SCYAIJKIHOFFNY-AWEZNQCLSA-N 396.350 4.954 0 40 GJAB CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccccc2O)=C(O)C1 1230354 CXSKLOJKEIVKCV-UHFFFAOYSA-N 384.472 4.878 0 40 GJAB CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 1264218 PEJYJTIDFDMXNJ-UHFFFAOYSA-N 378.394 4.957 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1Cc1ccccc1Cl 1389864 NIKPNPZWLLKONU-INIZCTEOSA-N 397.689 4.777 0 40 GJAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccccc2)nc1-c1ccccc1 1958466 CPBVAJMBMRHORJ-BUHFOSPRSA-N 378.453 4.639 0 40 GJAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)c1ccc(Cl)s1 2627601 UGTLZXMHMHLQSH-UHFFFAOYSA-N 378.693 4.726 0 40 GJAB O=C(CCC(=O)c1ccc(F)cc1)OCC(=O)c1cc(Cl)ccc1Cl 3227563 HBVFFDWSXQNURH-UHFFFAOYSA-N 383.202 4.522 0 40 GJAB O=C(Nc1ccccc1N1CCOCC1)C1(c2ccc(Cl)cc2)CCCC1 3236318 KQNCDHGSKWFTLK-UHFFFAOYSA-N 384.907 4.627 0 40 GJAB O=C(Cc1ccc(Br)cc1)OCc1csc(-c2ccccc2)n1 3273567 SFZNYRIBXGXNKM-UHFFFAOYSA-N 388.286 4.859 0 40 GJAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)CCc1nc2ccccc2s1 3289560 ZDDCOSMNFBRMDB-UHFFFAOYSA-N 396.512 4.843 0 40 GJAB COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2c(Cl)cc(Cl)cc23)cc1 4852943 OCOHCTTYVRVADG-CRAIPNDOSA-N 379.243 4.772 0 40 GJAB COc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)no2)cc1 4880716 JOTJUBQOPAPRBX-UHFFFAOYSA-N 378.306 4.501 0 40 GJAB CC(C)(C)c1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)cc1 4965513 GRLREQDRHLOBMT-UHFFFAOYSA-N 385.552 4.677 0 40 GJAB CC[C@@H](C(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1)c1ccccc1 5836899 SCWYYNBEMKSAGA-HXUWFJFHSA-N 381.472 4.591 0 40 GJAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2c(OC)ccc4ccccc24)N3)C1 6349162 UDYFYICYQZRBLQ-FQEVSTJZSA-N 393.512 4.717 0 40 GJAB COc1cc(NC(=O)c2cc3ccccc3cc2OC)ccc1NC(=O)C(C)C 6357765 NZFIWZOTYRJDGP-UHFFFAOYSA-N 392.455 4.704 0 40 GJAB CSCC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2[nH]1 6649225 JHRXWVLEYYFMTQ-IBGZPJMESA-N 383.517 4.574 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 6649410 JEFPTMOAVPTEAF-UHFFFAOYSA-N 390.936 4.742 0 40 GJAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3)c3ccccc3n2)o1 7062546 QEMQKIJPNUUGBA-UHFFFAOYSA-N 386.407 4.599 0 40 GJAB O=C(Cc1ccccc1Cl)Nc1nnc(SCc2ccccc2F)s1 7723245 ARAOUSQNCJAKEJ-UHFFFAOYSA-N 393.896 4.804 0 40 GJAB COc1ccc([C@H]2CCCN2[C@@H](C)c2nnc(-c3cccs3)o2)c(OC)c1 7741822 QCMISQKIJVQSIF-XJKSGUPXSA-N 385.489 4.713 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7882507 BQRFVGHPASCBTK-OAHLLOKOSA-N 398.384 4.850 0 40 GJAB O=C(Oc1ccccc1Cl)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7928803 RPQXHUONTNYZLU-SNVBAGLBSA-N 384.646 4.605 0 40 GJAB Cc1c(C(=O)NC[C@@H](c2cccs2)N(C)C)oc2c1ccc1ccccc12 7963830 AQJIBMKXYZKQGD-SFHVURJKSA-N 378.497 4.989 0 40 GJAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)/C=C/c1ccco1 8009851 VSGFLPWJJBCYEC-CCEZHUSRSA-N 383.451 4.804 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc3cccnc23)cc1 8406144 KDOGFNDRJMAGED-UHFFFAOYSA-N 387.439 4.600 0 40 GJAB C[C@@H](Nc1ncnc2sc(-c3ccccc3)cc12)[C@H](O)c1ccc(O)cc1 9076695 BIKYSLSTBFFZRG-YJYMSZOUSA-N 377.469 4.598 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)c3ccc(C)c(C)c3)cc2c1 9461607 ZQMDYLXWTYDOOD-UHFFFAOYSA-N 386.451 4.893 0 40 GJAB CN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 10128096 QCHUCHCYTJLSJS-QFIPXVFZSA-N 389.426 4.552 0 40 GJAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc2c(c1)OC1(CCCC1)O2 11969418 DUOHNAOPIPHMSF-UHFFFAOYSA-N 390.439 4.954 0 40 GJAB CC(C)(C)c1ccc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12628630 YXPKJJHGYNTYAW-FQEVSTJZSA-N 377.488 4.603 0 40 GJAB CC(=O)c1c(C)nc(-c2ccco2)nc1S[C@H](C)C(=O)Nc1cccc(F)c1 12772337 HIBRPIDQIQAPGL-CYBMUJFWSA-N 399.447 4.506 0 40 GJAB COc1cccc2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c(=O)oc12 12878155 ZIKQHJXMVDLEOF-UHFFFAOYSA-N 388.301 4.537 0 40 GJAB COc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1 12943820 XJUXNWMNEDEDDJ-BOPFTXTBSA-N 399.903 4.522 0 40 GJAB COc1cccc(C(=O)N[C@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 13495025 SZZSHHXRGXTOGT-CQSZACIVSA-N 379.460 4.534 0 40 GJAB Cc1cc(C)cc(OCC(=O)NCCSCc2c(F)cccc2Cl)c1 14398862 XXHCFRKIGBJBGW-UHFFFAOYSA-N 381.900 4.524 0 40 GJAB Cc1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1 15881557 KWXDTFWMEZQGIA-UHFFFAOYSA-N 388.471 4.837 0 40 GJAB COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3)cc2O)cc1 15952633 KXDVDILONILZSP-UHFFFAOYSA-N 399.450 4.686 0 40 GJAB biogenic Cc1nn(C[C@H](C)C(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)c(C)c1C 19556958 GVTRTZOMEBCWNT-PRMJJDQESA-N 379.548 4.533 0 40 GJAB Cc1ccc(Nc2nnc(COc3ccc4oc(=O)cc(C)c4c3)s2)cc1 19923629 XEPCTDCMMIIPSA-UHFFFAOYSA-N 379.441 4.584 0 40 GJAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 20144682 UEHUOHQCPJGCQW-QMMMGPOBSA-N 388.634 4.751 0 40 GJAB COc1ccc(-c2nnc3sc(-c4cccc5ccccc45)nn23)cc1OC 20259293 RENXHLNMDCZULA-UHFFFAOYSA-N 388.452 4.690 0 40 GJAB C[C@@H](Sc1ccccc1)C(=O)Nc1nnc(SCc2ccccc2)s1 21953894 KXLQTTRAYFKUEE-CYBMUJFWSA-N 387.555 4.950 0 40 GJAB Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)Cc1ccc2ccccc2c1 25679370 QMZQLJYKLOIHBB-UHFFFAOYSA-N 387.527 4.819 0 40 GJAB CC(C)[C@@H](C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1 25918156 LPDYQMOPVQYMMV-HRAATJIYSA-N 396.922 4.880 0 40 GJAB Cc1ccc(Cn2nc(C)c(NC(=O)c3ccccc3Br)c2C)cc1 28226498 QLFHXHOJVPMBGI-UHFFFAOYSA-N 398.304 4.871 0 40 GJAB Cc1cc(C)cc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)c1 28527903 VGBPHNZITBAJEQ-UHFFFAOYSA-N 389.503 4.860 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 32104137 WHBNMISFISCEDS-UHFFFAOYSA-N 397.434 4.726 0 40 GJAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)no2)cc1C 32623517 RGQOGJOYVDDJKI-QFIPXVFZSA-N 389.499 4.525 0 40 GJAB CCn1nc(C)c2c(C(=O)N(Cc3ccccc3)c3ccccc3)cc(C)nc21 36612116 DOCPGZRZQQYXCX-UHFFFAOYSA-N 384.483 4.915 0 40 GJAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccccc2N2CCCCC2)o1 36740287 IRAFUZYGOLSGSK-UHFFFAOYSA-N 392.547 4.867 0 40 GJAB CCc1ccc([C@@H](NCC(=O)Nc2ccccc2OC)c2cccs2)cc1 57323162 GHIAOPYCVKUYAV-JOCHJYFZSA-N 380.513 4.637 0 40 GJAB Cn1ccnc1-c1nc(N[C@@H]2CCc3ccccc32)ncc1-c1cccc(F)c1 57775469 LOTBDCFZFFDAFG-HXUWFJFHSA-N 385.446 4.783 0 40 GJAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C(C)C)ccc1OC(F)F 71287885 IKYVWRYHXTUACE-CQSZACIVSA-N 383.420 4.666 0 40 GJAB Cc1ccccc1NC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 71853609 SGLSBFLEUCRPCI-UHFFFAOYSA-N 382.895 4.775 0 40 GJAB O=C(CCC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1 72271170 JHJIQXHRYMZSBL-RUZDIDTESA-N 399.490 4.917 0 40 GJAB Cc1ncsc1C(=O)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72349848 GKXXIWIAWSEBTJ-UHFFFAOYSA-N 395.503 4.596 0 40 GJAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc(F)c3)C2)cc1 79112444 JPTHZKZPYYWXGJ-JOCHJYFZSA-N 394.471 4.674 0 40 GJAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)c3ccc(F)cc3)cc12 84068025 GSIMAUQDGWHDSA-UHFFFAOYSA-N 383.423 4.950 0 40 GJAB O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1ccoc1)Cc1cccs1 90612206 YCXZYFRRVHFAKU-UHFFFAOYSA-N 385.869 4.525 0 40 GJAB Cc1ncc(Cl)c(C(=O)Nc2nc(-c3c(F)cc(F)cc3F)c(C)s2)n1 95961434 ZVAXIUALOCRWQA-UHFFFAOYSA-N 398.797 4.540 0 40 GJAB Cc1ccnc([C@@H](NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)C2CC2)n1 95977895 BEVXKLXSEUGGGI-INIZCTEOSA-N 398.919 4.751 0 40 GJAB O=C(Cc1cccc2ccccc12)N1CCC(Oc2ccc(Cl)cn2)CC1 96024920 ASZMIBHGEJVCFM-UHFFFAOYSA-N 380.875 4.501 0 40 GJAB C[C@H]1CCCN1C(=O)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1 96155413 GNPKKKIVCABLFY-INIZCTEOSA-N 388.446 4.556 0 40 GJAB COc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 100424966 JPAWITYARRVPMB-SFTDATJTSA-N 395.572 4.567 0 40 GJAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1Cc1ccco1 222820004 HYUHPBQVOYTBLR-RTWAWAEBSA-N 394.544 4.522 0 40 GJAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cc1 222885012 DKGJFZWMUWQKSO-RTWAWAEBSA-N 376.529 4.563 0 40 GJAB Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 222974813 QNWHQJXMYACIJL-HXUWFJFHSA-N 390.571 4.963 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C(C)C 223796528 WMJFVZCFSSXYKV-LJQANCHMSA-N 375.896 4.816 0 40 GJAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)cc1Cl 224542182 BKMRBSFYHQJKIA-INIZCTEOSA-N 377.868 4.637 0 40 GJAB O=C(Nc1ccc(F)c(F)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225581043 UNNYAQHXBJVGBN-UHFFFAOYSA-N 382.813 4.608 0 40 GJAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(F)c(F)c1 225687066 IJRYSIPYLBUQHP-INIZCTEOSA-N 378.444 4.562 0 40 GJAB CCO[C@@]1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCC[C@H](C)C1 225715742 JACAQXOYTCEJSS-CVDCTZTESA-N 390.568 4.721 0 40 GJAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225738895 CRZRIEWQZDNOLT-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 257258044 KSEDCIXCCGFPKC-QAQDUYKDSA-N 398.551 4.784 0 40 GJAB COc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(C)cc2)cc1 408699950 XQZGXTAMRFEJRG-UHFFFAOYSA-N 398.466 4.812 0 40 GJAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[C@@H](Oc2ccncc2Cl)C1 575610251 GBBGMLNDAYKYFL-LLVKDONJSA-N 386.666 4.727 0 40 GJAB O=C(C[C@@H]1CC2(CCN(CC3CCCCC3)CC2)Oc2ccccc21)NC1CC1 1201390485 WEJLKSJVQAKNNZ-HXUWFJFHSA-N 396.575 4.636 0 40 GJAB COc1ccccc1NCN1C(=O)S/C(=C\c2ccc(SC)cc2)C1=O 1197371 HJAORAGSGARQSV-BOPFTXTBSA-N 386.498 4.523 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(C2CC2)nc2ccccc12 1332657 NQGJADRYMPDQRK-AWEZNQCLSA-N 375.497 4.577 0 40 GJAB COc1cccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccc(C)cc2)c1 1370598 UKSFNFGETNNHFS-FGZHOGPDSA-N 393.531 4.711 0 40 GJAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1Br 2303177 OAEHMZKMZBDKQU-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB CCCCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3cc(C)ccc3nc21 2394061 PRQRUUFHOMXBPO-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB O=C(COc1ncnc2sccc12)Nc1ccccc1Oc1ccccc1 2619270 FADVWERDQYTIGU-UHFFFAOYSA-N 377.425 4.501 0 40 GJAB Cc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1cccc(F)c1 2687688 UPGIZOOIGULOJD-UHFFFAOYSA-N 389.401 4.867 0 40 GJAB COc1ccc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1OC 2776015 QGSKYAVQQLPZTN-UHFFFAOYSA-N 386.407 4.533 0 40 GJAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CCCCCC1 3385794 ISZGPUMFASPDAN-UHFFFAOYSA-N 377.513 4.792 0 40 GJAB CCOc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 3402723 KRIIVNYBPVKUQX-QFIPXVFZSA-N 388.467 4.585 0 40 GJAB Cc1cc2nnc(S[C@@H](C)C(=O)NCCC3=CCCCC3)n2c2ccccc12 3444927 LFJMXQPIUICDNX-INIZCTEOSA-N 394.544 4.678 0 40 GJAB O=C(COC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)c1ccccc1)c1ccc(Cl)cc1 4008974 WHUDPPDRXAQMEK-SEONNTABSA-N 396.870 4.611 0 40 GJAB Cc1c(NS(=O)(=O)c2ccc(F)cc2)cccc1-c1nc2cccnc2s1 4036398 HKVQLEQOVGZNBI-UHFFFAOYSA-N 399.472 4.607 0 40 GJAB O=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1cccc(F)c1 4119890 GLEPJQRCMAPEOA-UHFFFAOYSA-N 382.382 4.590 0 40 GJAB CCc1ccc2nc(Nc3nc4ccc(S(C)(=O)=O)cc4s3)sc2c1 4137703 YMAOTJCAJIAJFH-UHFFFAOYSA-N 389.527 4.616 0 40 GJAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc2c(c1)OCCO2 4194618 ZBMOSVLHFPXQIF-UHFFFAOYSA-N 378.862 4.549 0 40 GJAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1)C12CC3CC(CC(C3)C1)C2 4888102 PFORADPDIUYKNE-UKBGNOBASA-N 398.616 4.966 0 40 GJAB O[C@]1(C(F)(F)F)CC(c2cccs2)=NN1c1nc(-c2ccccc2)cs1 5243172 XYSMJENXIMGCDA-INIZCTEOSA-N 395.431 4.737 0 40 GJAB CCc1ccc(C(=O)[C@H](C)Sc2nnc3c(Cl)cc(Cl)cn23)cc1 6099375 XPCDPCAFEXSSMM-JTQLQIEISA-N 380.300 4.962 0 40 GJAB Cc1nc(-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)cs1 6587088 JVXZDOMJBLCGRT-UHFFFAOYSA-N 398.431 4.938 0 40 GJAB CN1C(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2Oc2ccccc21 9827781 SJJRIPZTYZDYMI-UHFFFAOYSA-N 378.815 4.975 0 40 GJAB O=C(CCSc1nc2ccccc2s1)Nc1ccc(NC(=O)C2CC2)cc1 9897805 JAANAVNYFNFMFB-UHFFFAOYSA-N 397.525 4.766 0 40 GJAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 10663207 SKXYPLHMGKQZRX-MBSDFSHPSA-N 375.468 4.677 0 40 GJAB O=C(CSc1ncnc2sccc12)N(Cc1ccco1)C1=CCCCC1 11306099 LCFWBUDEFKGULT-UHFFFAOYSA-N 385.514 4.863 0 40 GJAB CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(Nc2ccccc2)s1 11541384 QRKKUPGKEKNDFN-DZGCQCFKSA-N 376.551 4.553 0 40 GJAB Cc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1C 11764249 LGYNLPQPJKMLHI-UHFFFAOYSA-N 377.513 4.571 0 40 GJAB C[C@@H](NC(=O)COc1ccc(Nc2ccccc2)cc1)c1nc2ccccc2[nH]1 12558940 AJUIKZCNKARRHI-MRXNPFEDSA-N 386.455 4.563 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)c(OC)c1 12972097 MAJUBNSBHXQYDF-QGZVFWFLSA-N 379.378 4.700 0 40 GJAB Cc1ccccc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13041194 MQIYSUHHDKYVAW-UHFFFAOYSA-N 397.828 4.917 0 40 GJAB Cc1ccc(C2=NN(C(=O)CN[C@@H](C)c3cccs3)[C@@H](c3ccco3)C2)cc1 14125515 GPHQCXIJNZUBEM-QFBILLFUSA-N 393.512 4.678 0 40 GJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccccc1Cl 14397112 KAVHGFRJJQOTJL-IBGZPJMESA-N 393.936 4.556 0 40 GJAB Cc1ccc(-c2cnc(CCC(=O)N[C@H]3CCOc4ccccc43)o2)cc1C 14780406 VHIDFVDWUFNSQI-IBGZPJMESA-N 376.456 4.531 0 40 GJAB COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1 15081519 JYPUVNRTPNIZPS-HNNXBMFYSA-N 379.437 4.596 0 40 GJAB CN(CC(=O)Nc1cc(Cl)ccc1F)Cc1ccccc1N1CCCCC1 15103851 YPLPHVWJJJVZIZ-UHFFFAOYSA-N 389.902 4.540 0 40 GJAB CCNC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1C(C)C 15554443 QTWYNIPWHJCCCQ-UHFFFAOYSA-N 379.529 4.891 0 40 GJAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc3ncsc3c2)cs1 16276783 YLWXKVFERBJMNE-UHFFFAOYSA-N 377.494 4.931 0 40 GJAB Cc1ccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(C)c1 16839915 UFFMYSIFSPRFCZ-UHFFFAOYSA-N 384.435 4.565 0 40 GJAB COc1cc(CN[C@H](Cc2ccsc2)c2ccc(C)cn2)cc(OC)c1OC 19215456 DUDLRXWUTZLMQN-LJQANCHMSA-N 398.528 4.551 0 40 GJAB CCOc1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(C)cc1OC 19531803 BPFAWRYIYYIWST-SFHVURJKSA-N 379.504 4.658 0 40 GJAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(OC)c(OC)c1 20106299 PTYHAWBZUYAGMD-IBGZPJMESA-N 393.936 4.587 0 40 GJAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1 20142225 DCSHZZOVKVXJJB-OAHLLOKOSA-N 395.455 4.877 0 40 GJAB COc1ccc(Cl)cc1NC(=O)Cc1csc(Nc2ccc(F)cc2)n1 23136624 NAKWBNNFNBXDSO-UHFFFAOYSA-N 391.855 4.869 0 40 GJAB CCOCc1c(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)oc2ccccc12 24030533 JKXRDJXSFAJCLZ-UHFFFAOYSA-N 394.471 4.704 0 40 GJAB Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)C(C)C 27408984 KPZPTUCRMSFCRI-FDDCHVKYSA-N 388.511 4.780 0 40 GJAB Cc1nc(-c2ccccc2)c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)s1 27602729 BYFLUMXBNCDNEP-HXUWFJFHSA-N 391.540 4.685 0 40 GJAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1cccs1 27921431 WXDWXQYWVPDCND-UHFFFAOYSA-N 390.306 4.625 0 40 GJAB COc1cccc(Cn2cc(NC(=O)C(c3ccccc3)c3ccccc3)cn2)c1 28220789 ICXSYAWQBAMSPT-UHFFFAOYSA-N 397.478 4.711 0 40 GJAB O=C(COc1ccc2ccccc2c1)Nc1cnn(Cc2ccc(Cl)cc2)c1 28229377 PIFXKTRLQNBTIP-UHFFFAOYSA-N 391.858 4.756 0 40 GJAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C(N)=O)c3)c3ccccc3n2)cc1 31987931 GGJRURVMFHZEKD-UHFFFAOYSA-N 399.425 4.701 0 40 GJAB CC(C)c1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)c2ccccc2n1 32466754 ZKGBTUOFCDOENU-UHFFFAOYSA-N 387.527 4.706 0 40 GJAB Cc1ccc(-c2ccc(SCc3nc(-c4ccc(F)cc4)no3)nn2)cc1 33262444 JFCRKBAVUYASNQ-UHFFFAOYSA-N 378.432 4.933 0 40 GJAB COc1ccccc1NC(=O)CSc1nc2cccnc2n1C1CCCCC1 35289747 MEOLYLNKFWTBMM-UHFFFAOYSA-N 396.516 4.676 0 40 GJAB COc1ccc(Nc2c(-c3cccc(O)c3)nc3ccc(C)cn23)cc1OC 35616472 XPMVQONXCPKVDM-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB O=C(NCc1ccco1)c1ccccc1Sc1ccc(Br)cn1 47194809 NEXAEWWJUGMEIS-UHFFFAOYSA-N 389.274 4.518 0 40 GJAB O=C(Nc1nnc(C2CC2)s1)c1sc(-n2cccc2)nc1-c1ccccc1 61719500 QUKIPHLQBDOGRQ-UHFFFAOYSA-N 393.497 4.582 0 40 GJAB CC(C)OCCCn1c(SCc2cccc(F)c2)nc2ccccc2c1=O 67259120 PSWVKQFYAKRFMF-UHFFFAOYSA-N 386.492 4.643 0 40 GJAB O=C(Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O)c1cccs1 95564059 OQVDVROJIIHDBB-UHFFFAOYSA-N 381.844 4.557 0 40 GJAB COc1cccc(C(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)c1OC 95951194 DGOGEMGSLNEDRX-UHFFFAOYSA-N 393.487 4.748 0 40 GJAB CO[C@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(C)s1 96104894 ZZBWGZKMQQPYKQ-LJQANCHMSA-N 380.513 4.833 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1Cl 103718529 SQPLVNHBQHNPHO-LLVKDONJSA-N 397.689 4.947 0 40 GJAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)n1 148144586 DTICGDLBLHOIPX-UHFFFAOYSA-N 388.515 4.791 0 40 GJAB CC(C)(C)c1ccccc1OCC(=O)NCc1cccc(CN2CCCCC2)c1 224696425 JKPVCSJXLUALDS-UHFFFAOYSA-N 394.559 4.665 0 40 GJAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)c(OC)c1 225302036 YFDSOMCLCMURAV-UHFFFAOYSA-N 396.965 4.577 0 40 GJAB CC(C)NC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl 225349808 ZKGKZUJIIALSHX-UHFFFAOYSA-N 379.287 4.703 0 40 GJAB Cc1nccn1-c1ccc(CNC(=O)CCc2c(Cl)cccc2Cl)cc1 225355068 PCNVZJDUPXUTND-UHFFFAOYSA-N 388.298 4.737 0 40 GJAB CC(C)Oc1ccc(CNC(=S)Nc2cccc(Br)c2)cc1 225445676 ZKXPJENDWJBDOW-UHFFFAOYSA-N 379.323 4.723 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(F)cc2)ccc1Cl 225473861 QTFKNNIWMFZYCO-LLVKDONJSA-N 380.872 4.703 0 40 GJAB Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(Cc3ccc4ccccc4n3)C2)n1 257302696 SDXUBYLXLUALSD-IBGZPJMESA-N 398.510 4.966 0 40 GJAB C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(C(=O)NCCc3ccccc3)ccc1OC2(C)C 257305328 SPLCUCLUQNZQMM-CNDZOEFASA-N 379.500 4.686 0 40 GJAB Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CCN(Cc3nccs3)CC1)O2 257309229 UABVXOCPQOZHKU-QFBILLFUSA-N 390.936 4.691 0 40 GJAB O=C(CSCc1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2 408576321 SGTQDFIEHNBWPI-UHFFFAOYSA-N 394.378 4.767 0 40 GJAB COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1OC 408628977 GQMCKLDNEKAOJP-UHFFFAOYSA-N 388.895 4.846 0 40 GJAB CCOc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)cc1 1615159198 ORWNKECXGZSQFM-GCJKJVERSA-N 396.506 4.744 0 40 GJAB COc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc1 830116 UFNHCOBRPKHYLX-UHFFFAOYSA-N 380.831 4.853 0 40 GJAB O=C(N[C@@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl)c1ccccn1 836882 VWUNBPSXWCMXTP-QGZVFWFLSA-N 394.689 4.773 0 40 GJAB Cn1nc(C(=O)Nc2nc(-c3cccs3)cs2)c(Cl)c1C(F)(F)F 2778020 RKPXHTHDYCIHQZ-UHFFFAOYSA-N 392.815 4.530 0 40 GJAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)cc1 3200769 FXQHSPNHHLGAKQ-WYMLVPIESA-N 379.387 4.914 0 40 GJAB COC(=O)c1ccc([C@@H]2Oc3ccccc3CN2c2ccccc2OC)cc1 3342838 RSKURNTXOLAIHD-QFIPXVFZSA-N 375.424 4.580 0 40 GJAB COc1ccc(Nc2nnc(SCc3nnc(-c4ccccc4)o3)s2)cc1 3370073 YGXCAGFUVOKDQF-UHFFFAOYSA-N 397.485 4.633 0 40 GJAB CC(=O)Nc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 3438086 OQCJZTSNBUMNIM-RYUDHWBXSA-N 395.286 4.597 0 40 GJAB O=C1c2ccccc2[C@H]2c3[nH]c4ccccc4c3[C@H](c3ccc4c(c3)OCO4)CN12 4084890 NPLQAJWRJOQYGL-UUOWRZLLSA-N 394.430 4.587 0 40 GJAB biogenic Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CCCCC2)n1C 4167526 SVAYOPQMJUFHKJ-UHFFFAOYSA-N 378.929 4.555 0 40 GJAB O=C(NCCCc1nc2ccccc2n1Cc1ccccc1F)C1CCCCC1 4385001 FDXRDMGFDRPLFV-UHFFFAOYSA-N 393.506 4.853 0 40 GJAB O[C@@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2ccccc2)cs1 4478284 PWGGGQLSUQVPIX-GOSISDBHSA-N 389.402 4.675 0 40 GJAB CCOC(=O)c1c(NC(=O)c2cccc(OC(C)C)c2)sc2c1CCCC2 4670507 QLNYTSINOPTSDV-UHFFFAOYSA-N 387.501 4.843 0 40 GJAB CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 4848006 IHCBXVLUUCKEOH-QFIPXVFZSA-N 398.572 4.719 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(F)c(F)cc1Cl 4985422 ZBROKKOICDIZPD-BWACUDIHSA-N 388.838 4.779 0 40 GJAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21 5136344 KLJQKUJBAMJHAW-UHFFFAOYSA-N 390.405 4.893 0 40 GJAB CCCc1cc(N2CCN(c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 5203329 QPXADIWXXGHYMH-UHFFFAOYSA-N 397.526 4.675 0 40 GJAB Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1N1CCCC1=O 5440705 DBJANFXYJKHBBM-UHFFFAOYSA-N 384.479 4.970 0 40 GJAB O=C(NC[C@H]1CCCO1)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5487225 VIHPEDDLSVUTHX-MOPGFXCFSA-N 390.310 4.595 0 40 GJAB Cc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 6614625 IGCVOAZXSAZTCZ-UHFFFAOYSA-N 387.936 4.766 0 40 GJAB COc1ccc([C@@H]2C=C(c3ccc4ccccc4c3)N=C3SCC(=O)N32)cc1 6793736 WWUYUNUPGMEILI-NRFANRHFSA-N 386.476 4.876 0 40 GJAB O=C(CSc1nnc(NC2CC2)s1)Nc1ccc(-c2ccccc2)cc1 7577473 ALMYRCKRQUZSBQ-UHFFFAOYSA-N 382.514 4.510 0 40 GJAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1 7719018 GQIHRXYOHWJUME-ZDUSSCGKSA-N 386.498 4.789 0 40 GJAB COc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1Cl 7921051 VHZOUIMKRZLUFH-UHFFFAOYSA-N 388.876 4.945 0 40 GJAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 8779693 RGAUJACVCWFHMK-UHFFFAOYSA-N 398.506 4.790 0 40 GJAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)s1 9255895 COAUDQJATFMLQC-HNNXBMFYSA-N 384.526 4.993 0 40 GJAB Cc1nc2c3cc(Cl)ccc3n(CCS(=O)(=O)c3ccccc3)c2s1 9343680 VTRJNJDMTFMONM-UHFFFAOYSA-N 390.917 4.687 0 40 GJAB Cc1ccc(C)c(CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c1 9944326 SQYVZOWEAAFECG-MRXNPFEDSA-N 384.524 4.938 0 40 GJAB CCCOc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1 11914655 BABLXAFBVWGHDI-UHFFFAOYSA-N 381.432 4.565 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(F)c(F)c2)N1c1ccc2c(c1)OCCO2 12632026 LETMLQNTDROGQS-NRFANRHFSA-N 394.377 4.507 0 40 GJAB Cc1cc(C(=O)CSc2nnc(COc3ccccc3Cl)o2)c(C)s1 12776124 DZOYGIQOMLJZNM-UHFFFAOYSA-N 394.905 4.955 0 40 GJAB CCOc1ccc(OCCNC(=O)c2oc3ccccc3c2CSC)cc1 12860683 OTHRKQVOSIZJTH-UHFFFAOYSA-N 385.485 4.503 0 40 GJAB COc1ccccc1N1COc2ccc3c(=O)c(-c4ccccc4)coc3c2C1 13723741 UQSUIDMPUUPUKR-UHFFFAOYSA-N 385.419 4.825 0 40 GJAB biogenic COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1Cl 14398440 UESSHBXDUXIIOF-CYBMUJFWSA-N 389.879 4.830 0 40 GJAB CCCSc1ncc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)n1 16750818 WRSSLFQVFBNCOV-UHFFFAOYSA-N 375.803 4.903 0 40 GJAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)NC3CCCCC3)c2C(N)=O)C1 17080032 MRDAKJCJZCSCQE-ZDUSSCGKSA-N 391.581 4.842 0 40 GJAB CCCCN(C)c1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 17270229 TWNCADZKJNKHLL-UHFFFAOYSA-N 390.466 4.935 0 40 GJAB c1ccc(C2=N[C@@H](N3CCCCC3)[C@@H](N3CCCCC3)N2c2ccccc2)cc1 19328773 PBHACELTUMHJRL-DQEYMECFSA-N 388.559 4.577 0 40 GJAB Cc1nn2c(ncc3c(=O)n(-c4cccc(Cl)c4)ccc32)c1-c1ccccc1 19818792 BZQZAIOQJCEILW-UHFFFAOYSA-N 386.842 4.662 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2)c1cccc(Cl)c1 19819188 NGEKOLWWFMEBSD-UHFFFAOYSA-N 391.858 4.580 0 40 GJAB COc1ccc(CN(C)C(=O)c2sc3cc(F)ccc3c2Cl)c(OC)c1 23495060 ARCAXLRWRLZTTO-UHFFFAOYSA-N 393.867 4.983 0 40 GJAB COc1ccc([C@H](CNC(=O)Cc2ccccc2)c2c[nH]c3ccccc23)cc1 23573148 UTHRXVHSYWWDKU-QFIPXVFZSA-N 384.479 4.667 0 40 GJAB COc1cc(OC)c(C2=CCN(Cc3nc4ccccc4s3)CC2)c(OC)c1 29594044 FDFLAOKEEDCROV-UHFFFAOYSA-N 396.512 4.611 0 40 GJAB Clc1ccc(-c2cc3c(N4CCN(C5CCCCC5)CC4)nccn3n2)cc1 33266341 KSKAFYAVOKNAJG-UHFFFAOYSA-N 395.938 4.504 0 40 GJAB Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 36046376 ALQIHKKHRCNQNN-BFQNTYOBSA-N 390.940 4.526 0 40 GJAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 59351473 CBYBLQWQFPKGSU-LSDHHAIUSA-N 376.294 4.711 0 40 GJAB CC(C)(C)c1ccc(C(=O)N2CCC(CSC3=NCCS3)CC2)cc1 75172368 VEGMDKMLDSVLPS-UHFFFAOYSA-N 376.591 4.672 0 40 GJAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@@H]3c2cccc(Cl)c2)cc1 95472728 REWBGIQEVZBAPD-QGZVFWFLSA-N 399.859 4.648 0 40 GJAB O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1Cl 97570270 MVWOVKHVBIJNPR-CYBMUJFWSA-N 379.070 4.764 0 40 GJAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 222930750 RXQXPIDPGBYSEP-LEWJYISDSA-N 394.519 4.640 0 40 GJAB CC[C@H](NS(=O)(=O)c1ccc(SC)cc1)c1ccc2c(c1)CCCC2 223060329 ITDXSBJQZLESKJ-FQEVSTJZSA-N 375.559 4.717 0 40 GJAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1ccco1 223365526 XHBIYLJQMOELIU-LEWJYISDSA-N 392.528 4.764 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c(C)c1 223973263 BESQXMOFSRQQBT-JOCHJYFZSA-N 395.524 4.688 0 40 GJAB CCc1ccc([C@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1 224585276 UQZDWXNAXISDCK-AWEZNQCLSA-N 376.294 4.576 0 40 GJAB CC(C)OCCCNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225191511 ZVKYEFOQHCLANX-UHFFFAOYSA-N 395.981 4.988 0 40 GJAB COc1ccc(NC(=S)NCc2ccc(OC(C)C)c(OC)c2)cc1Cl 225530975 SZJZDJWMXVQCOZ-UHFFFAOYSA-N 394.924 4.631 0 40 GJAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225840501 YLWZCIRWVQCCSP-JOCHJYFZSA-N 393.524 4.678 0 40 GJAB Cc1cc(-c2ccc(C(=O)Nc3ccc(F)c(N)c3)o2)ccc1Br 226764177 TXZLRMGOLCWUFZ-UHFFFAOYSA-N 389.224 4.991 0 40 GJAB Cc1cccnc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257207343 BHIIWFCMFADGIT-IBGZPJMESA-N 395.890 4.990 0 40 GJAB O=C(O)c1ccc(CN2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)cc1 257270410 MUCHEBKAXGITJD-NRFANRHFSA-N 376.456 4.691 0 40 GJAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257276378 NTLCIHONADHUKZ-HXUWFJFHSA-N 376.456 4.641 0 40 GJAB CCOc1cc(C(=O)NCc2ccccc2)ccc1OCc1ccc(C)cc1 408551489 DBHWOCRYWOQLQW-UHFFFAOYSA-N 375.468 4.903 0 40 GJAB O=C1Nc2ccccc2S/C1=C\c1cc(Cl)cc(Br)c1O 409107039 PVSSUMSMEJHUAT-MLPAPPSSSA-N 382.666 4.893 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)c1C 409156701 GSIIENJCDFMRIC-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB CC1(c2nc(-c3ccccc3NC(=O)c3ccccn3)no2)CCC(F)(F)CC1 528126431 VWMICGSUULGNIB-UHFFFAOYSA-N 398.413 4.851 0 40 GJAB Cc1sc(C2(NCc3cn(C(C)(C)C)nn3)CCC2)nc1-c1ccccc1F 559357690 GAMXXZYYROKMHK-UHFFFAOYSA-N 399.539 4.773 0 40 GJAB Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)ccn2)n1 585291524 DCKAXQBCDBQKJJ-CHHLAKQQSA-N 398.510 4.948 0 40 GJAB CC[C@@]1(c2ccccc2)NC(=O)N(c2ccc(Oc3cccc(F)c3)cc2)C1=O 1615612616 JOSFQDCQHWGIPR-QHCPKHFHSA-N 390.414 4.980 0 40 GJAB O=C1C[C@@H](CSc2nnc(-c3ccccc3)o2)CN1Cc1ccc(Cl)cc1 2087071606 IFJATPKEDNKYDY-OAHLLOKOSA-N 399.903 4.531 0 40 GJAB Nc1c(C(=O)NC2CC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 1079244 BGANWKKJYUDOEN-UHFFFAOYSA-N 383.420 4.518 0 40 GJAB CC1CCN(C(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 1381384 WPHVIJUAZCWFIG-UHFFFAOYSA-N 397.519 4.574 0 40 GJAB COc1ccc(CS/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 1383573 JXTMOYLVZKKVJL-FOCLMDBBSA-N 399.299 4.617 0 40 GJAB Cc1cccc(CN(C(=O)Nc2ccccc2)c2nnc3n2CCCCC3)c1 1468147 UCBAQYAPEHLGBJ-UHFFFAOYSA-N 375.476 4.552 0 40 GJAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1 1840103 TYOSDAMAWFHLRA-UHFFFAOYSA-N 387.505 4.860 0 40 GJAB CCOC(=O)c1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 2223170 JWRTYTYJLPOGBZ-UHFFFAOYSA-N 394.434 4.812 0 40 GJAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl 2351720 PIKNGVJZUILGDT-OSPHWJPCSA-N 388.231 4.690 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)OCc1ccc(Br)cc1 3229103 GEVCUKFRSVKOFG-UHFFFAOYSA-N 389.167 4.590 0 40 GJAB CC(C)N(C(=O)CSc1nnc(NC2CCCCC2)s1)c1ccccc1 3239638 PMOGJUAWRRMIHC-UHFFFAOYSA-N 390.578 4.816 0 40 GJAB Fc1ccc(-n2c(-c3ccccc3)nn(CN3CCCCC3)c2=S)c(F)c1 3263330 NHCCIKKEGWZJNI-UHFFFAOYSA-N 386.471 4.792 0 40 GJAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cccc(Br)c1 4070836 ZNCMFAMNVVDUKL-UHFFFAOYSA-N 385.286 4.924 0 40 GJAB CCCCN(CCCC)C(=O)NCCCCNC(=O)N(CCCC)CCCC 4462505 GWTJAPNRLPUZST-UHFFFAOYSA-N 398.636 4.990 0 40 GJAB COc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccncc2)cc1 4509756 NFSSRJDGFAGDLF-UHFFFAOYSA-N 392.459 4.769 0 40 GJAB Cc1ccc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1C 4585389 NYYUOVHNCLETGN-UHFFFAOYSA-N 383.451 4.563 0 40 GJAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(OC)c2)c1 5157731 ACOVWVRQYXXCPT-LADGPHEKSA-N 386.451 4.946 0 40 GJAB CSc1ccccc1NC(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1 5219359 ZKEVTSWMHHLJLM-UHFFFAOYSA-N 385.514 4.806 0 40 GJAB O=C(CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)Nc1ccc(F)cc1 6084915 MMOFYPVDKMDUTI-UHFFFAOYSA-N 397.262 4.648 0 40 GJAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 6455338 GXXOWKVSFUEDIJ-BJSKQTLOSA-N 397.603 4.872 0 40 GJAB O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1 6472384 IAERNQNOZMVGKR-UHFFFAOYSA-N 394.283 4.698 0 40 GJAB COc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2Cl)cc1 6747563 RABCVQGXYFBMIU-UHFFFAOYSA-N 385.847 4.549 0 40 GJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(Cl)c1 6752996 NZIQWFQQLKEHNU-FQEVSTJZSA-N 381.863 4.781 0 40 GJAB Cc1ccc(N2C(=N)S/C(=C/c3cc4c(cc3Cl)OCO4)C2=O)cc1C 6858370 HXUHWKNOOIKUFN-ZTZVFOACSA-N 386.860 4.741 0 40 GJAB COc1ccc(C)cc1NC(=O)c1ccccc1C(=O)N(C)C1CCCCC1 6974671 SWIGISQQIZMNDW-UHFFFAOYSA-N 380.488 4.661 0 40 GJAB CCOc1cc(/C=C/C(=O)Nc2cccc(Br)c2)ccc1OC 7609572 VBJSXZMKTDSHSC-CSKARUKUSA-N 376.250 4.508 0 40 GJAB CN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C1CCCCC1 7651530 ZQXXKPPZFIJNMJ-CCEZHUSRSA-N 386.499 4.739 0 40 GJAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(c2nc3ccccc3s2)CC1 7775568 NEWWZLXDGGZSFK-UHFFFAOYSA-N 388.496 4.706 0 40 GJAB O=C(Nc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1)c1cccc(Cl)c1 8378042 NHKFQEJNBKZRHN-UHFFFAOYSA-N 392.069 4.901 0 40 GJAB CC1CCN(CCOc2ccc(-c3[nH]ncc3-c3ccccc3)c(O)c2)CC1 8740699 GXOFJMVEAPHYFE-UHFFFAOYSA-N 377.488 4.560 0 40 GJAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 8868774 MTYHYYJVJWCWMW-NRFANRHFSA-N 391.467 4.927 0 40 GJAB Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4Cl)nc32)n1 9341232 VOKAWYUXHGFBBS-UHFFFAOYSA-N 388.862 4.709 0 40 GJAB COc1ccc(CC(=O)NC2=Nc3ccccc3N=C(C)[C@@H]2c2ccccc2)cc1 9355703 YTTUAMNTVNGBSW-XMMPIXPASA-N 397.478 4.974 0 40 GJAB CCOc1ccc([C@@H](CNC(=O)C2CCC2)c2c[nH]c3ccccc23)cc1OC 9516352 FZPHBQHDCYGLGY-LJQANCHMSA-N 392.499 4.623 0 40 GJAB O=C(NCCCN1CCCCCC1)c1ccccc1SCc1ccccc1 10111292 NHBDWOPAPQIZHA-UHFFFAOYSA-N 382.573 4.975 0 40 GJAB CCC(CC)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12237318 MXSJGZOAAUDUAU-UHFFFAOYSA-N 397.544 4.874 0 40 GJAB CC(C)N(Cc1nnc(-c2ccccc2)o1)Cn1c(=S)oc2ccccc21 12544175 CAEGFKNWGZXJSJ-UHFFFAOYSA-N 380.473 4.882 0 40 GJAB COc1ccc(Br)c(C(=O)Nc2ccccc2N2CCCCC2)c1 12552608 RFBWCHXDNDUQJD-UHFFFAOYSA-N 389.293 4.700 0 40 GJAB COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)n1 13495160 ADMNQGQCPYMUNV-AWEZNQCLSA-N 379.460 4.534 0 40 GJAB COc1ccc(C[C@H]2C(=O)N(c3ccccc3)c3ccccc32)c(OC)c1OC 15018246 ZPXOUOFQHIZTAT-LJQANCHMSA-N 389.451 4.717 0 40 GJAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2ccc(O)cc2)N1 15974561 ITMSJXGZYSYOEK-OAQYLSRUSA-N 399.475 4.924 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2cnc(-c3ccc(C)cc3)nc2)cc1OC 19658411 XOZSRFVHVNYKPZ-OAQYLSRUSA-N 389.499 4.806 0 40 GJAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1-n1ccnc1C 20486548 WKEQOMDSTMAQMW-QHCPKHFHSA-N 399.494 4.808 0 40 GJAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCCC2)cc1 22333985 LZLDEURLAGLMNN-UHFFFAOYSA-N 377.513 4.562 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)ccc1Cl 22535064 XFOISHMWPLYBCB-CQSZACIVSA-N 375.852 4.540 0 40 GJAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)c(F)c1 28730049 PESKKABQPPQHMR-UHFFFAOYSA-N 387.436 4.678 0 40 GJAB C[C@H](NC(=O)c1ccccc1Oc1ccccc1)c1ccc(-n2cncn2)cc1 32738419 MHSQDIURIJZTJN-KRWDZBQOSA-N 384.439 4.551 0 40 GJAB CN(C)[C@H](CNC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1ccccc1 32989055 MDHLUBNTAANHOA-JOCHJYFZSA-N 382.548 4.562 0 40 GJAB CC(C)(C)N1C[C@H](C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)CC1=O 35317054 QZBUNBBZDMZVHM-OAHLLOKOSA-N 393.512 4.549 0 40 GJAB COc1ccc([C@H]2CCCN2Cc2ccccc2Br)cc1OC 36395396 JVWHEMSUSMWEIA-QGZVFWFLSA-N 376.294 4.803 0 40 GJAB Cc1cc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c(C)n1Cc1ccco1 40062949 OYUVFVLBFASASN-NRFANRHFSA-N 394.471 4.556 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(=O)OC)ccc1C 44885696 IPHPAXRLUTZCQH-NRFANRHFSA-N 377.440 4.731 0 40 GJAB CCCN(CC(=O)Nc1ccccc1C)Cc1sccc1Br 48333620 JWPLPAZUMALJLR-UHFFFAOYSA-N 381.339 4.670 0 40 GJAB CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C 49864528 SDQNQTAIUAGGQL-OIQRCWJPSA-N 383.576 4.859 0 40 GJAB C[C@@](O)(CNC(=O)c1ccc(F)cc1Cl)c1ccc(-c2ccccc2)cc1 77184142 UZINCKBPRGGWBW-JOCHJYFZSA-N 383.850 4.784 0 40 GJAB Cc1ncsc1C(=O)OC[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1 78989012 IOQIRLHHICHWAN-GOEBONIOSA-N 398.450 4.710 0 40 GJAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1cccc(Oc2ccccc2)c1 95478044 LPFRUYWPNLPEGQ-IBGZPJMESA-N 395.484 4.974 0 40 GJAB Cc1cc(NC(=O)CSc2nc(C)c(C)n2[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)no1 103512465 LSWRHAPEBIEXFD-QZWWFDLISA-N 388.537 4.524 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 222930351 NFJYNDWBYFEHSO-VGSWGCGISA-N 399.531 4.734 0 40 GJAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 222954639 YJCQKUADLIHPMZ-XLIONFOSSA-N 382.504 4.628 0 40 GJAB C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 222974287 FMVZSZDWRNYMCN-LJQANCHMSA-N 376.544 4.655 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 222984746 DCDKBQGELZNOLN-UTKZUKDTSA-N 382.504 4.628 0 40 GJAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 222998519 XUDNCMKQASVJRG-JOCHJYFZSA-N 383.532 4.999 0 40 GJAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223424689 AAAFZJCOXJFVTD-REWPJTCUSA-N 394.559 4.650 0 40 GJAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)[nH]1 225358356 OAVOLYHEWPKQHO-RTWAWAEBSA-N 392.528 4.682 0 40 GJAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 225529786 VHBOKAHFACJLIS-NZQKXSOJSA-N 394.559 4.650 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC2CC2)[C@@H]1c1cccs1 257173183 FXHSLAOXBRJLMT-RTWAWAEBSA-N 396.556 4.601 0 40 GJAB Cc1cccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 257259380 KYCWPLWPBNDTQB-FQEVSTJZSA-N 395.890 4.990 0 40 GJAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)on1 257342383 ZOIUYJBFXLQQJP-IYARVYRRSA-N 396.535 4.719 0 40 GJAB Cc1ccc(C)c(-c2ccc(OC(=O)c3ccccc3Br)nn2)c1 408528843 LMKGZSZVQMWSEV-UHFFFAOYSA-N 383.245 4.742 0 40 GJAB CC(C)c1ccccc1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408709364 RMLGWIHYWYIMNC-UHFFFAOYSA-N 386.495 4.697 0 40 GJAB CCn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c2cc(C)ccc21 408713005 FZDJAECTABRAER-UHFFFAOYSA-N 375.255 4.889 0 40 GJAB CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2cccc(C)c2)cc1 408841277 FYWYRWDRRYTUAW-CJLVFECKSA-N 383.451 4.623 0 40 GJAB CC1(C)CC(=O)c2cc(NC(=O)N3[C@H]4CC[C@H]3CC3(C4)CC3(F)F)ccc2O1 529089879 ADGIXEIMCBCOIT-KBPBESRZSA-N 390.430 4.615 0 40 GJAB Cc1nccnc1[C@H](C)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 1537442251 ODXDLPBRDULOEP-AWEZNQCLSA-N 385.389 4.962 0 40 GJAB O=C(Nc1nc(O)c2c(n1)CCCC2)c1cc(-c2ccccc2)ccc1Cl 1583640677 GEIMNZYCBWLVSV-UHFFFAOYSA-N 379.847 4.634 0 40 GJAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc3ccccc3c2)NC(=O)N1C 1044188 JTIDVMXRZJPWEW-QFIPXVFZSA-N 386.451 4.553 0 40 GJAB biogenic CCc1cc2ccc(C)cc2nc1SCC(=O)c1ccc2c(c1)OCCO2 1340027 ATHUSKGPVLRXFS-UHFFFAOYSA-N 379.481 4.852 0 40 GJAB O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccccc2Br)cc1 1431079 DMNNRQVFUAIPQI-UHFFFAOYSA-N 395.256 4.954 0 40 GJAB O=c1c2c(-c3cccs3)csc2ncn1-c1ccc(Br)cc1 2287047 HCUKXCWUDSINBI-UHFFFAOYSA-N 389.299 4.938 0 40 GJAB aggregator CCOc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1 2301448 CMZCFYKLOVKKSN-UHFFFAOYSA-N 384.526 4.944 0 40 GJAB COc1ccccc1NC(=O)CSc1nccc(-c2ccc(Cl)cc2)n1 2806527 NGYVJHFPGACCOO-UHFFFAOYSA-N 385.876 4.536 0 40 GJAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3OC)o2)c1C 3445728 UMBHWCMEZFEPLD-UHFFFAOYSA-N 385.489 4.549 0 40 GJAB O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1Cc1ccccc1 4033493 POKPRKJOACMZTD-JOCHJYFZSA-N 395.506 4.795 0 40 GJAB O=C(Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1)c1ccccc1 4247073 DUYBEPHGIQJOEG-UHFFFAOYSA-N 382.388 4.869 0 40 GJAB CCO[C@@](C(=O)OCCCN(CC)CC)(c1ccccc1)C1CCCCC1 4525324 PFWYTVBNXLFENG-QHCPKHFHSA-N 375.553 4.774 0 40 GJAB Cc1ccc(Cl)cc1-c1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)o1 4540781 WNCNVRYSOZAELJ-UHFFFAOYSA-N 398.850 4.563 0 40 GJAB CCCCSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12 4652673 JSXDBDPNLXMTGM-UHFFFAOYSA-N 384.530 4.604 0 40 GJAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccnc2)n2c(nc3ccccc32)N1 4734794 HAEQZYXLQSHTTG-QFIPXVFZSA-N 395.466 4.667 0 40 GJAB CCCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4816648 ROJUQYRBGAWEOD-RBUKOAKNSA-N 380.879 4.799 0 40 GJAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2)c1 5156546 DGWHOJOZQHIWKP-JOCHJYFZSA-N 396.446 4.863 0 40 GJAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccc(F)cc1 5164808 OYPVOPCWDLCKSV-SSPYTLHUSA-N 397.490 4.733 0 40 GJAB COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1Cl 5216221 OEIJFUAVVLJDAF-JZWVFAODSA-N 399.918 4.857 0 40 GJAB COc1ccc(-c2nn(CN3CCC(C)CC3)c(=S)n2-c2ccccc2)cc1 5393134 NGYILESEGMAFQY-UHFFFAOYSA-N 394.544 4.768 0 40 GJAB CCN(CC)c1ccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 5688344 GFZFWBOFRBUCRL-UHFFFAOYSA-N 397.935 4.803 0 40 GJAB CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3[C@H](C)CC)cc1 5736978 FVYFSIYBJASOJN-FZKQIMNGSA-N 389.521 4.513 0 40 GJAB C[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C1 6253640 INRRILWYSGOTKR-QMMMGPOBSA-N 383.300 4.531 0 40 GJAB CCCc1cc(C(=O)Nc2cccc(I)c2)sc1C 6284921 HWFKHAHHAGHBNU-UHFFFAOYSA-N 385.270 4.866 0 40 GJAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(CC)cc1 6752984 ROWZOLYLKCJFJL-QFIPXVFZSA-N 375.472 4.690 0 40 GJAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)c1cccc(C(F)(F)F)c1 7734947 SDKAHSODFQTGJW-JTQLQIEISA-N 385.769 4.621 0 40 GJAB CC(=O)[C@H](C)OC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 7985892 ATEGVSMTDAFKRY-LBPRGKRZSA-N 386.498 4.594 0 40 GJAB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1C(C)(C)C 8334041 NLAIGEIRYDBCHE-YBFXNURJSA-N 393.512 4.968 0 40 GJAB CC1CCN(c2nnc(SCc3ncc(-c4ccccc4)o3)n2C2CC2)CC1 8748246 NMJSUPLGFZHHBN-UHFFFAOYSA-N 395.532 4.797 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3)c3ccccc3C)cc2c1 9374859 CCDDIKTYNHPBRS-UHFFFAOYSA-N 382.463 4.992 0 40 GJAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N(Cc1ccc(F)cc1)C1CC1 10220111 BFVVRDPOKHGKQH-UHFFFAOYSA-N 375.447 4.694 0 40 GJAB CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccno3)sc2c1 10254160 UONKQZAPUXISOL-UHFFFAOYSA-N 379.441 4.530 0 40 GJAB CCOC(=O)c1ccc(NC(=O)CSCc2cccc(Cl)c2)c(C)c1 10446279 UCTNEYNTFQAADA-UHFFFAOYSA-N 377.893 4.697 0 40 GJAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(Oc2ccc(Cl)cc2)cc1 11994446 SYHZJASQODJPCM-OALUTQOASA-N 387.863 4.640 0 40 GJAB COc1cccc(N2C(=O)c3ccccc3N[C@@H]2/C=C/c2ccccc2OC)c1 12550107 WZGVSQUCNLXSBK-NSFRLNINSA-N 386.451 4.816 0 40 GJAB Cc1cc(-c2cc(C(=O)N3c4ccccc4C[C@@H]3C)c3c(C)noc3n2)c(C)o1 12814966 RZMFCMLALNPEBT-LBPRGKRZSA-N 387.439 4.999 0 40 GJAB CN(Cc1cccc(Cl)c1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 12941984 NFEWQCPHDXDUGW-QFIPXVFZSA-N 381.903 4.879 0 40 GJAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3cccc(Cl)c3Cl)n2)C1 12993729 VWFORIRJHOALQA-LLVKDONJSA-N 384.332 4.934 0 40 GJAB COc1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13074115 IOIRVFIYFXTCCZ-UHFFFAOYSA-N 399.312 4.534 0 40 GJAB CC(=O)c1cc(Br)ccc1O[C@@H](C)C(=O)Nc1c(C)cccc1C 14068073 LJOUNAVPQXGHCP-AWEZNQCLSA-N 390.277 4.675 0 40 GJAB Cc1ccccc1NC1=NN=C(c2cc(C)n(-c3nccs3)c2C)CS1 15403856 RSKFUUWMBUFUEL-UHFFFAOYSA-N 381.530 4.778 0 40 GJAB COc1ccc(CCC2CCN(CCC(=O)N[C@H](C)c3ccccc3)CC2)cc1 15514251 UUCSKJPJKPOLTP-HXUWFJFHSA-N 394.559 4.607 0 40 GJAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2c(C)cc(C)cc2C)o1 15881380 YDFLWUPCKCPPIO-UHFFFAOYSA-N 388.471 4.818 0 40 GJAB O=C(O)c1ccc(CNCc2ccccc2OCc2ccc(Cl)cc2)cc1 16449724 RSFAEEICXONWFT-UHFFFAOYSA-N 381.859 4.907 0 40 GJAB C[C@H](Oc1ccccc1F)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 19079741 FNEMMOJAMPHFEC-VBKZILBWSA-N 384.838 4.547 0 40 GJAB CCCOc1cccc([C@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)c1 20672379 JDWLCIGUDYLLQU-NRFANRHFSA-N 391.471 4.677 0 40 GJAB COc1ccc(-c2nnc(CN3CCC(CCc4ccc(C)cc4)CC3)o2)cc1 25753785 QXMTVKHEKMCYIB-UHFFFAOYSA-N 391.515 4.898 0 40 GJAB COc1ccc(C(=O)CSc2nccn2-c2ccc(Cl)cc2)c(OC)c1 26042289 OGVZEDYZIZDBEQ-UHFFFAOYSA-N 388.876 4.518 0 40 GJAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccccc1C(F)(F)F 28577520 XSEPGPXRYIQLSM-UHFFFAOYSA-N 385.451 4.790 0 40 GJAB c1ccc([C@@H](NCc2ccc(OCc3ccncc3)cc2)c2ccccn2)cc1 30544694 AJILMVKGGDUJLL-RUZDIDTESA-N 381.479 4.935 0 40 GJAB CC(C)c1ccc2nc(-c3cccnc3)cc(C(=O)N3CCSCC3)c2c1 32103839 SMPYWWFKRGOHOI-UHFFFAOYSA-N 377.513 4.609 0 40 GJAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1SC 38500967 LXVOLVGEUYUJGN-UHFFFAOYSA-N 385.464 4.774 0 40 GJAB Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCCC2)cc1 40615469 NGEQJGCIYVDIHK-LJQANCHMSA-N 376.422 4.581 0 40 GJAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N[C@H](C)c3ccccn3)c12 42347302 OZNVZRMKIAQIQV-CQSZACIVSA-N 379.508 4.504 0 40 GJAB O=C(O)c1cc(/C=C/c2csc(-c3ccccn3)n2)nc2cc(F)ccc12 44026680 ZPVKBIZEDPQJMO-AATRIKPKSA-N 377.400 4.761 0 40 GJAB CC(C)c1cc(C(=O)Nc2cccc(OCc3ccccn3)c2)nn1C(C)(C)C 44505405 UZODUZACIOUEOB-UHFFFAOYSA-N 392.503 4.988 0 40 GJAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)NCc1ccoc1 47842371 JOFGYNFUAZKGSY-OKILXGFUSA-N 389.883 4.658 0 40 GJAB Cc1cc(CNC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c2[nH]c(C)c(C)c2c1 58171938 LETWQDCPXSIPAF-UHFFFAOYSA-N 389.455 4.830 0 40 GJAB O=C(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(CN2CCCC2)c1 64027317 DGGOTWGQVBKYAH-UHFFFAOYSA-N 391.559 4.563 0 40 GJAB O=C(Nc1ccc(F)c(F)c1F)C1(c2ccc3c(c2)OCO3)CCCCC1 64777540 AHPLWYUCLFQGEA-UHFFFAOYSA-N 377.362 4.673 0 40 GJAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cc(Cl)ccc1N1CCCC1 65475525 AMHMDGWJTMEECU-UHFFFAOYSA-N 397.910 4.827 0 40 GJAB Cc1cc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)ccc1F 67295554 SPSXRCSJIUOLKF-LVWGJNHUSA-N 376.387 4.636 0 40 GJAB COc1cc(C)ccc1CN1CCC[C@H]1c1cc(Nc2cnccn2)cc(C)n1 72372693 NNFIVAHGTZFMEZ-NRFANRHFSA-N 389.503 4.578 0 40 GJAB CCc1nc(C)c([C@H](C)N(C)Cc2coc(-c3ccc(C(=O)OC)cc3)n2)s1 96007799 RFLUEKIJEQCZBR-AWEZNQCLSA-N 399.516 4.649 0 40 GJAB Cc1ccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)cc1C 100423340 OUXIEXJJIIGFEV-FGZHOGPDSA-N 379.573 4.785 0 40 GJAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C)c1ccc(OC)c(OC)c1 219303547 STGBFMCWHJIHQL-PKOBYXMFSA-N 385.504 4.664 0 40 GJAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(OC)c(OC)c1 224695458 QHJLKAGOTXPYAN-OXQOHEQNSA-N 397.515 4.617 0 40 GJAB CCCSc1nnc(NC(=O)c2ccccc2OCc2ccccc2)s1 225358434 JCLFSKBWZTZHRL-UHFFFAOYSA-N 385.514 4.872 0 40 GJAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCC 225369701 KHSVEAGGTFXIQM-QHCPKHFHSA-N 394.559 4.651 0 40 GJAB CCN(CC)CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1 225615132 BIGAYGREXISOGL-UHFFFAOYSA-N 392.584 4.823 0 40 GJAB COC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1OC 225758284 PRONLWPLYBRGLJ-UHFFFAOYSA-N 381.472 4.631 0 40 GJAB CC(C)COc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c2ccccc12 225927811 SIPGONVQEAYUKR-UHFFFAOYSA-N 398.503 4.870 0 40 GJAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1 408696290 ZIMXXWFRLMQBMR-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)cc2)cc1 408697297 IPEDMRJSZCQWBW-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB O=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCCCC1 408979174 PMQDHPMBCQZSIU-UHFFFAOYSA-N 386.459 4.638 0 40 GJAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)c1 409102884 WMARYWKADSGUIB-UHFFFAOYSA-N 394.544 4.564 0 40 GJAB COc1cc(C)c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C(C)C 409242609 WYUORCOABRICNC-WOJGMQOQSA-N 384.863 4.878 0 40 GJAB O=C(c1cc(-n2cccc2)ccn1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 501664053 NNWCLBRNPWUBDZ-UHFFFAOYSA-N 394.478 4.739 0 40 GJAB O=C(c1cnnn1-c1cccc(F)c1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 1126108056 QXKOFUDNVGXSFO-LJQANCHMSA-N 398.869 4.817 0 40 GJAB Cc1nc(CN2CCC3(CC2)Oc2ccccc2[C@@H]2O[C@@H](C)CC[C@H]23)cs1 1615157132 OKQFJBITHUVVQL-DLVCFXQMSA-N 384.545 4.735 0 40 GJAB COc1ccc(Oc2coc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1 945039 AWFHGEHRFCYAFC-UHFFFAOYSA-N 388.375 4.813 0 40 GJAB biogenic COC(=O)c1ccc(COn2nc(-c3ccccc3)c(C)c2-c2ccccc2)cc1 1391945 OYNNOJJMGZJHTF-UHFFFAOYSA-N 398.462 4.941 0 40 GJAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccn2)N2CCCC2)c1C 1448813 WSRWYTCVZWDOPJ-LJQANCHMSA-N 381.501 4.790 0 40 GJAB CCCCCCc1cc2c3c(c(=O)oc2cc1O[C@H](C)C(=O)OCC)CCC3 1775992 RBEZBRYHOOWITJ-OAHLLOKOSA-N 386.488 4.735 0 40 GJAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(Cc2ccccc2)c1C 2058454 HEUWSGVKXOOEMD-UHFFFAOYSA-N 379.481 4.995 0 40 GJAB aggregator COc1ccc(-c2nc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)sc2C)cc1 2645903 FRZSLDHOIQVLBK-UHFFFAOYSA-N 383.473 4.527 0 40 GJAB Cn1c(SCc2cccc(C(F)(F)F)c2)nc2c([nH]c3ccccc32)c1=O 2720598 RAUHMAXJFVPQJX-UHFFFAOYSA-N 389.402 4.726 0 40 GJAB O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1F 2726087 QKKAFHZSHXSZFC-UHFFFAOYSA-N 382.362 4.584 0 40 GJAB c1coc(CNc2nc(CN3CCCCC3)nc3sc4c(c23)CCCC4)c1 3289030 VFVIJCMAVLJQBB-UHFFFAOYSA-N 382.533 4.761 0 40 GJAB CCOc1ccc(C(C)=O)cc1CSc1nnc2sc3ccccc3n12 3516249 UOQKXTLRMKOLQL-UHFFFAOYSA-N 383.498 4.838 0 40 GJAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc23)c2ccccc2n1 4766410 XPMKULQKLVIMGY-MRXNPFEDSA-N 384.435 4.880 0 40 GJAB COc1ccc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)c(OC)c1 5083671 GUHMOVPPTHIRPV-UHFFFAOYSA-N 393.468 4.641 0 40 GJAB Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(Cl)c12 5313775 YNRPUBCQKBKHJA-AWEZNQCLSA-N 390.874 4.873 0 40 GJAB O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1ccc(F)cc1 5444736 RIDVIHGKFBCTTR-LDADJPATSA-N 399.418 4.749 0 40 GJAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3ccccc3)cc2)cc1 5934712 ZMPBPHFAVDMVHB-MRXNPFEDSA-N 389.455 4.876 0 40 GJAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc2c(c1)OCCO2 6219174 MLKQLIUSBASILH-UHFFFAOYSA-N 388.448 4.987 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CSc2ccc3ccccc3c2)c1C 6269075 KAPKRZHREGCABK-UHFFFAOYSA-N 395.480 4.506 0 40 GJAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 6330096 ONGFLVIYEHPZRW-UHFFFAOYSA-N 396.878 4.586 0 40 GJAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cccc2ccccc12 6423380 OSEJVHPFQJDGBU-UHFFFAOYSA-N 389.480 4.538 0 40 GJAB CCCCNc1nnc(SCc2cc(=O)oc3cc4c(cc23)CCC4)s1 7058491 HBMPARKTCDBLJM-UHFFFAOYSA-N 387.530 4.638 0 40 GJAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccccc2)n1CC)c1ccccc1 7150481 IFTIVJUGUJVQFI-LJQANCHMSA-N 394.544 4.667 0 40 GJAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)NCc1ccc(F)cc1 8853953 RXDFOLPLYZVHOK-UHFFFAOYSA-N 390.480 4.573 0 40 GJAB COc1ccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cc1 9227251 VRGBXXHHNIIENT-UHFFFAOYSA-N 377.256 4.835 0 40 GJAB C[C@H](C(=O)NC[C@H](O)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9420417 DVUPTRVSXBZMLM-FPTDNZKUSA-N 392.886 4.928 0 40 GJAB C[C@H](Sc1nc2ccccc2n1C1CCCCC1)C(=O)NCC(F)(F)F 10398261 CHYLFDRQOSFYRR-LBPRGKRZSA-N 385.455 4.701 0 40 GJAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc2c(c1)OCCCO2 12599149 OATQCWNABWVFSM-UHFFFAOYSA-N 375.424 4.603 0 40 GJAB CCC(CC)NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 12602455 BVQTVCIMGLNTEO-UHFFFAOYSA-N 386.565 4.712 0 40 GJAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 12803298 UACAXEHYYSWIJK-GOSISDBHSA-N 386.495 4.569 0 40 GJAB CCC(=O)N([C@@H]1CCOC(C)(C)C1)[C@H](c1ccccc1)c1ccc(OC)cc1 13654122 OAXFOJNYTWODFB-NFBKMPQASA-N 381.516 4.981 0 40 GJAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 13673392 WKILMXLQDSHLIU-LJQANCHMSA-N 382.507 4.836 0 40 GJAB O=C(N[C@H]1CCSc2ccccc21)c1cnn(Cc2ccccc2Cl)c1 14246834 QMYQNIPZMBQOML-SFHVURJKSA-N 383.904 4.552 0 40 GJAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 14428992 QKLJODCXZMDOEO-GOSISDBHSA-N 392.886 4.984 0 40 GJAB CSCc1c(C(=O)Nc2ccccc2N2CCCC2=O)oc2ccccc12 16105725 HVTIMHVKYFIHPX-UHFFFAOYSA-N 380.469 4.675 0 40 GJAB C[C@@H]1CCC[C@H](NC(=S)Nc2nn(Cc3ccccc3)cc2Cl)[C@@H]1C 17077124 MHDYQMDKCNWRDR-CPUCHLNUSA-N 376.957 4.696 0 40 GJAB C[C@@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)C(=O)NC1CCCCC1 19623551 GZMRUUMQVPJDPX-GCJKJVERSA-N 389.543 4.727 0 40 GJAB O=C(Cc1noc2ccccc12)Nc1ccccc1N1CCc2ccccc2C1 25799747 LWIMPQYEDMYQLP-UHFFFAOYSA-N 383.451 4.572 0 40 GJAB COc1ccc(NC(=O)[C@H](C)Nc2ccc3nc(C)sc3c2)cc1Cl 28909545 SCGGWKILTGOOOL-JTQLQIEISA-N 375.881 4.706 0 40 GJAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cn1 29461497 IYJSXONBDKTUCI-UHFFFAOYSA-N 389.386 4.804 0 40 GJAB O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1C(=O)c1ccc(F)cc1 29607179 ZXOUXOMWUQTZPO-UHFFFAOYSA-N 385.341 4.910 0 40 GJAB Cc1ccc(-c2nc(CSc3nncn3CCc3cccs3)cs2)o1 32330738 ZEQGCYXVIXLMNL-UHFFFAOYSA-N 388.543 4.900 0 40 GJAB COC(=O)c1cc(CSc2nnc(Nc3ccc(C)c(C)c3)s2)oc1C 32910153 HANHNLGJTPGFTQ-UHFFFAOYSA-N 389.502 4.879 0 40 GJAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC[C@H](C(F)(F)F)C1 40072621 CKEWYZXCGPNWFQ-INIZCTEOSA-N 391.437 4.691 0 40 GJAB CCc1nn2c(ncc3c(=O)n(C4CCCCC4)ccc32)c1-c1ccc(F)cc1 40396754 ROPDESNQPXNFNM-UHFFFAOYSA-N 390.462 4.918 0 40 GJAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)CCCc2ccc(Cl)cc2)c1 44499247 KMJQXLIOSSIPSR-UHFFFAOYSA-N 379.287 4.657 0 40 GJAB Cc1nc(-c2cccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c2)[nH]c1C 48302484 CWUIOBWGFYCOKF-NRFANRHFSA-N 391.471 4.504 0 40 GJAB COc1ccccc1[C@H](C)N[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 57679467 UXPAFUNOVCFBGT-RBUKOAKNSA-N 388.511 4.640 0 40 GJAB Cc1noc(Cl)c1CCC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 62581448 DHTHAEXOTGUZHT-INIZCTEOSA-N 382.891 4.906 0 40 GJAB CNC(=O)c1ccc(Cl)c(NC(=O)c2csc(-c3ccc(C)cc3C)n2)c1 63936821 BPKQFXOYOIUAAI-UHFFFAOYSA-N 399.903 4.692 0 40 GJAB O=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1ccc(F)c(F)c1 67260764 NHEIOOVVWYVJOS-UHFFFAOYSA-N 387.389 4.643 0 40 GJAB Cc1ccc(NC(=S)Nc2ccc(I)cc2)c(F)c1 71760564 JNJNOCZGWCKBRK-UHFFFAOYSA-N 386.233 4.548 0 40 GJAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC[C@@H](C(=O)O)C4)cc3)sc2c1 85388488 OUAZWUKQRHZQNC-LSDHHAIUSA-N 380.469 4.711 0 40 GJAB Cc1csc(SCC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)n1 90608084 XDKCTLILLFSJJP-UHFFFAOYSA-N 390.618 4.999 0 40 GJAB COc1cccc(-n2cc(-c3nc(-c4ccccc4)no3)c3ccccc3c2=O)c1 96324266 OZTIKCSYVDPEDN-UHFFFAOYSA-N 395.418 4.716 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C 100252068 HYBSWXMRQOAMFV-DFFLPILJSA-N 396.560 4.783 0 40 GJAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc3c(n2)[C@]2(C)CC[C@@H]3C2(C)C)c(C)c1 100265467 HUGYMRCSEVANHW-GTQRCTGISA-N 396.560 4.783 0 40 GJAB CC(=O)Oc1ccc(-c2cccc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2)cc1 102245519 GSJVRRGLJLPSLU-UWTPZGIJSA-N 377.484 4.833 0 40 GJAB Cc1cc(NCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)ccc1Br 102345922 JLEHUCHERHIHSJ-BEFAXECRSA-N 379.342 4.597 0 40 GJAB CCCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CC[C@H](C)C2 102618059 ZBULIMFQRZMOJA-RZLSGREXSA-N 375.534 4.814 0 40 GJAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OC(=O)C(F)(F)F)CC[C@@]43C)[C@@H]1CCC2=O 118925062 DDDJCSCTQYHRFY-NIDXHAAISA-N 384.438 4.992 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)cc1Cl 222969175 WVCRZPAXQQCBRC-GOSISDBHSA-N 389.879 4.930 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(Cc3ccncc3)cc2)CC1 224527486 PJKSAEVBPZSFKQ-UHFFFAOYSA-N 399.538 4.832 0 40 GJAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225470551 DJVRSOLBIOCJFX-KRWDZBQOSA-N 381.545 4.669 0 40 GJAB Cc1noc(C)c1COc1ccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)cc1 257232982 GNFIIKRKORODEM-DROXKUGBSA-N 385.504 4.744 0 40 GJAB CCOc1cc(/C=C/C(=O)Nc2ccccc2Br)ccc1OC 408604123 SQQMXCBIYNDYAH-PKNBQFBNSA-N 376.250 4.508 0 40 GJAB COC(=O)c1ccc([C@@H]2Nc3c(C(=O)OC)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 408626114 ZWIKECLFGIFQCD-NHUSPQTBSA-N 391.467 4.556 0 40 GJAB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OC 409127994 KKOHZMGZHLLHCK-HMMYKYKNSA-N 397.496 4.763 0 40 GJAB CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cn1 580990679 HCFHBVXANQVKSC-UHFFFAOYSA-N 399.454 4.966 0 40 GJAB CCOc1ccc(/C=C/C(=O)Nc2nc3ccc(OC)cc3s2)cc1OCC 936384 IZIUWANMWYRIOZ-YRNVUSSQSA-N 398.484 4.754 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 943616 UYBHLDGVNHSDDC-NSHDSACASA-N 377.893 4.955 0 40 GJAB COCc1cc(C)nc2sc(C(=O)NC3CCCCC3)c(-n3cccc3)c12 1074280 OYGMWUWUVCTPJX-UHFFFAOYSA-N 383.517 4.604 0 40 GJAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1 1346926 RLOXLVIQRXLCBT-IBGZPJMESA-N 383.467 4.758 0 40 GJAB Cc1ccc(NC(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1 1388010 ODKGXFPLTDMEDJ-UHFFFAOYSA-N 377.231 4.631 0 40 GJAB CCc1cc(=O)[nH]c(SCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 1394651 UWGUCEYKGZGNIA-UHFFFAOYSA-N 382.329 4.662 0 40 GJAB Cc1ccc(OCCSc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 1792231 WWOQMMQWVPSKPN-ZDUSSCGKSA-N 386.542 4.589 0 40 GJAB CC(=O)Nc1ccc(NC(=O)CCCSc2nc3ccccc3s2)cc1 2619411 MBJYYJQQLXMHEP-UHFFFAOYSA-N 385.514 4.766 0 40 GJAB CC(=O)c1ccc2c(c1)N(C(=O)c1ccn(C(F)F)n1)c1ccccc1S2 2793567 HLAGZVQRYNPQLW-UHFFFAOYSA-N 385.395 4.924 0 40 GJAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12 3219422 SPUYPRORMBDSIQ-UHFFFAOYSA-N 387.357 4.583 0 40 GJAB O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(F)cc1 3237106 ISPPSDZMJYTGRA-UHFFFAOYSA-N 384.457 4.903 0 40 GJAB COc1ccc(-c2cc(C(=O)OCc3c(C)noc3C)c3ccccc3n2)cc1 3317646 YFSPQNHYYVMKMU-UHFFFAOYSA-N 388.423 4.872 0 40 GJAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]c1=O)c1cccc(F)c1 4320290 BSMHYOKUHCMKIB-UHFFFAOYSA-N 393.805 4.635 0 40 GJAB O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCCc2ccccc21 4880574 ZKWSXPHQAPEHLR-UHFFFAOYSA-N 383.245 4.697 0 40 GJAB Cc1ccccc1/N=c1\oc2ccccc2cc1S(=O)(=O)c1ccccc1 4937694 GFBFIARSTVCEDV-FCQUAONHSA-N 375.449 4.806 0 40 GJAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(C)c3)sc2c1 5265101 MHXADJSQDYTILA-UHFFFAOYSA-N 389.480 4.855 0 40 GJAB Cn1ccnc1S[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 5359829 MGDSVAOSOISLKD-INIZCTEOSA-N 391.418 4.911 0 40 GJAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 5484078 NDCAGZOTJBAYTJ-MRXNPFEDSA-N 376.334 4.555 0 40 GJAB C[C@@H]1CCCCN1C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6455034 QMKMVZFOTCWUDB-LOTWAOFLSA-N 383.576 4.769 0 40 GJAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cccc(Cl)c1 6496499 RVCJKCXFTFVGSM-UHFFFAOYSA-N 382.828 4.822 0 40 GJAB Cc1ccc(NC(=O)NCCCCCc2nc(-c3ccc(C)cc3)no2)cc1 6585635 XGPOOPCAQCUJHA-UHFFFAOYSA-N 378.476 4.888 0 40 GJAB O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cccc(Cl)c1Cl 6876442 SGVXLNHIGHIHMG-UHFFFAOYSA-N 395.217 4.943 0 40 GJAB COc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1OC 7094267 KYMDDIWQRQITJK-UHFFFAOYSA-N 386.300 4.883 0 40 GJAB CCc1ccc(-c2noc(CSc3nnc(-c4cccc(C)c4)o3)n2)cc1 7179880 NEJOGBYRPWFXFX-UHFFFAOYSA-N 378.457 4.950 0 40 GJAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 7928318 FBTWYZSMIKTYNJ-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB COC(=O)c1ccc(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 7988787 SPNZBJALKGFTNJ-NRFANRHFSA-N 391.492 4.623 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 8041228 DCMHAPISECXTLH-MRXNPFEDSA-N 382.243 4.576 0 40 GJAB Cc1cc(CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)on1 8528998 JMETYWYILGNGCL-UHFFFAOYSA-N 380.448 4.586 0 40 GJAB C[C@H](Nc1ncnc2sc(-c3ccccc3)cc12)[C@H](O)c1ccc(O)cc1 9076694 BIKYSLSTBFFZRG-DJJJIMSYSA-N 377.469 4.598 0 40 GJAB Cc1n[nH]c(C)c1Cc1ccc(NCc2cc(-c3ccccc3)c[nH]c2=O)cc1 12222745 RBEGHZDHDAJXMR-UHFFFAOYSA-N 384.483 4.585 0 40 GJAB Cc1cc(NC(=O)[C@H](Nc2ccc(N3CCCC3)c(C)c2)c2ccccc2)no1 12507168 GGXSIJRIMJQCHZ-JOCHJYFZSA-N 390.487 4.684 0 40 GJAB CCc1ccccc1Oc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 12549440 PNZCNYOBWNOFTA-UHFFFAOYSA-N 395.768 4.654 0 40 GJAB CC(=O)c1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 14247979 AQUZUHOQFJKQCP-HSZRJFAPSA-N 391.492 4.504 0 40 GJAB COc1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1OC 14506110 AVHZFQZDWRYVLB-UHFFFAOYSA-N 396.424 4.933 0 40 GJAB CCCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CC(C)(C)OC4)cc1 16856526 YCSFAABLYUYZTN-UHFFFAOYSA-N 384.501 4.682 0 40 GJAB COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)cc(=O)c3c2)c1 16960286 AHJDEMKYWZTJSA-UHFFFAOYSA-N 389.382 4.860 0 40 GJAB biogenic C[C@H]1CCC[C@H](NC(=S)Nc2nn(Cc3ccccc3)cc2Cl)[C@@H]1C 17077125 MHDYQMDKCNWRDR-VBQJREDUSA-N 376.957 4.696 0 40 GJAB COc1cc([C@H]2CC3=Nc4ccccc4N=CC3=C(O)C2)cc(OC)c1OC 18222962 UVZGTBFHLGDZRS-ZDUSSCGKSA-N 378.428 4.891 0 40 GJAB CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccccc1Cl 20035284 PALOLLGDNSOKOM-HNNXBMFYSA-N 377.937 4.719 0 40 GJAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc3ccc(C(F)(F)F)cn23)cc1 24144105 RUMHMJFCHYXFGO-NSHDSACASA-N 395.406 4.510 0 40 GJAB Cc1ccc(NC(=O)Cn2c(SC(F)F)nc3ccccc32)c2cccnc12 24842474 OKXKVJURSBBBSM-UHFFFAOYSA-N 398.438 4.846 0 40 GJAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 26040517 FRNIOMHDQLNZAX-OVCLIPMQSA-N 376.500 4.662 0 40 GJAB CCOc1ccc(-c2nonc2NC(=O)c2oc3ccccc3c2C)cc1C 27989980 RRIJCVCVTCVMBL-UHFFFAOYSA-N 377.400 4.751 0 40 GJAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1(c2ccccc2)CCOCC1 32663413 YCPVPWGRXNSARG-UHFFFAOYSA-N 381.806 4.628 0 40 GJAB CCOc1cc(/C=C/C(=O)O)c(Br)cc1OCc1ccc(C)cc1 33876280 CXBCNFFTFKCWNZ-CMDGGOBGSA-N 391.261 4.833 0 40 GJAB CCCCn1c(=O)c2sccc2n2c(SCc3cc(C)ccc3C)nnc12 35529095 CIDKEEMVHYHXAU-UHFFFAOYSA-N 398.557 4.815 0 40 GJAB Cc1cc(COC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)on1 37123877 ZGSLHCCWNRBEDD-UHFFFAOYSA-N 383.256 4.699 0 40 GJAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3Br)cc2)C1 38834920 RVMXJGPEHOHGGT-HNNXBMFYSA-N 387.321 4.933 0 40 GJAB Cc1sc2ncnc(OCC(=O)Nc3c(Cl)cccc3Cl)c2c1C 39562420 FFERXPMWOWZQAN-UHFFFAOYSA-N 382.272 4.632 0 40 GJAB COc1ccc([C@H]2CCCCCN2Cc2csc(-c3cnn(C)c3)n2)cc1 40149678 GFGDEBHWBDEJTQ-HXUWFJFHSA-N 382.533 4.670 0 40 GJAB CC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)c(C)c1 44856527 OYOCOOILGLZYNY-QHCPKHFHSA-N 382.523 4.922 0 40 GJAB COc1ccc(CN(C)C(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 44900295 HNJKZIGIKMMJNQ-UHFFFAOYSA-N 386.495 4.530 0 40 GJAB CCCOc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)c(C)c1 48362707 XHPWNQABTDRDCR-HXUWFJFHSA-N 388.895 4.643 0 40 GJAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cccnc1Nc1cccc(F)c1 53395839 KRUDKXXBUFJTCE-AWEZNQCLSA-N 383.854 4.979 0 40 GJAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 55422066 PCJQPDAVEZAIDX-UHFFFAOYSA-N 394.515 4.890 0 40 GJAB COc1cccc([C@@H]2C[C@H]2C(=O)N(CCc2ccccc2)c2nc(C)cs2)c1 72270311 NUICLNMFNXEAMK-LEWJYISDSA-N 392.524 4.840 0 40 GJAB CC(=O)N1CCC[C@@H](c2cc(Cc3cccc(C(F)(F)F)c3)cc(C)n2)C1 72353798 FPYBNFQTGHOMAF-GOSISDBHSA-N 376.422 4.726 0 40 GJAB C[C@H](C(=O)N[C@@H](CO)c1ccccc1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 95471310 GSGIRQPJSSVRGZ-FPTDNZKUSA-N 392.886 4.928 0 40 GJAB Cc1ccc(-c2csc(NC(=O)c3ccc4nnc(C(F)F)n4c3)n2)c(C)c1 95965822 HVQYSNVBPDVYGK-UHFFFAOYSA-N 399.426 4.660 0 40 GJAB CC(C)c1ccc(OCC(=O)NCCSCc2ccccc2Cl)cc1 218958723 MJGKQFZUEQGJQF-UHFFFAOYSA-N 377.937 4.892 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219379709 XHWOCVGDPZDJOG-MOPGFXCFSA-N 385.504 4.746 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1cccc2ccccc12 223551554 JAWONZLKXMEMBN-IBGZPJMESA-N 383.875 4.846 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224929621 ZABRARSQSDAYQI-CQSZACIVSA-N 380.444 4.554 0 40 GJAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CCCc2cc(OC)ccc21 225366251 VRRZMMIDTVWDMX-ZEQRLZLVSA-N 393.527 4.925 0 40 GJAB COC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1C 225674438 GTMUMKKRINYQMZ-SFHVURJKSA-N 398.528 4.679 0 40 GJAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225801761 KCEIGSSOWPIIPC-VFNWGFHPSA-N 379.497 4.574 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1 225812262 KFNGTULTRTXQBN-LJQANCHMSA-N 395.421 4.996 0 40 GJAB CN(CC1CCCCCCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 257269556 MQLYKBONAORFAE-UHFFFAOYSA-N 384.564 4.783 0 40 GJAB O=C(NC(=S)NC1CCCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408627114 KHTDACBCMMSXLH-UHFFFAOYSA-N 383.300 4.800 0 40 GJAB O=S(=O)(c1ccccc1)N(Cc1ccccc1Cl)c1cccc(F)c1 408628590 ZCXBSQLYHKDVQQ-UHFFFAOYSA-N 375.852 4.875 0 40 GJAB CC(C)N1CCOc2ccccc2CCCCC2(CCN(CC3CC3)CC2)C1=O 643563730 PYCPMPJGNLEWEI-UHFFFAOYSA-N 398.591 4.521 0 40 GJAB Cn1cc(NC(=O)N[C@@H](Cc2ccccc2)c2ncco2)c(C2CCCCC2)n1 654104871 LYICYVAUOSEPDC-SFHVURJKSA-N 393.491 4.561 0 40 GJAB COc1cc([C@H](C)NC(=O)N2CC3CC2(C)C3)ccc1OCc1ccccc1 663746916 OWNKGWVDNNKJCQ-CFHWWMOJSA-N 380.488 4.529 0 40 GJAB O=C(NCc1cccc(NC(=O)c2ccncc2)c1)Nc1ccc(C2CC2)cc1 678558805 NDZHSQGZIGALFI-UHFFFAOYSA-N 386.455 4.533 0 40 GJAB CCc1ccc2occ(C(=O)N[C@@H](C)[C@@H](O)c3c(F)cccc3Cl)c2c1 1545594984 AUHMDCIRIWNNMD-JEOXALJRSA-N 375.827 4.640 0 40 GJAB Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)N(C(C)C)C(C)C)n12 929706 ASLOOZRIRGQEAF-UHFFFAOYSA-N 384.549 4.545 0 40 GJAB COc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cn1 1035979 SWMNJRMVQMKVAO-UHFFFAOYSA-N 378.215 4.613 0 40 GJAB CSc1nsc(SC)c1C(=O)Nc1ccc(Br)cc1 1056169 BBSRPRAOCAIKNQ-UHFFFAOYSA-N 375.338 4.602 0 40 GJAB O=C(O[C@@H](C(=O)NC1CCCCC1)c1ccc(Cl)cc1)c1cccs1 1361108 FQMSLRUCUOZDNH-QGZVFWFLSA-N 377.893 4.749 0 40 GJAB Fc1ccc(OCCCSc2nnc(NCc3ccccc3)s2)cc1 3353609 MUKMEERZTOJQCJ-UHFFFAOYSA-N 375.494 4.851 0 40 GJAB COc1ccc(OC)c(-c2csc(NC(=O)c3cc4ccccc4o3)n2)c1 3559292 RQHNAQAUKJAXPI-UHFFFAOYSA-N 380.425 4.826 0 40 GJAB CCc1cc2ccccc2nc1SCC(=O)Nc1cc(OC)ccc1OC 4849215 QHGCSPVNWTVOFL-UHFFFAOYSA-N 382.485 4.545 0 40 GJAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1 5083728 DLBRPAFZJHRXPP-UHFFFAOYSA-N 393.468 4.641 0 40 GJAB CCC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5428177 BWZVEHSYJINNGW-FVLVKUNMSA-N 386.532 4.657 0 40 GJAB CCCCn1nc(NC(=O)c2ccc(C)cc2)c2cc3cc(OC)ccc3nc21 5533369 QEWXQEOZYHNJBW-UHFFFAOYSA-N 388.471 4.954 0 40 GJAB COc1ccc(CCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 5670529 XZAJFPLXYFQPLM-UHFFFAOYSA-N 377.509 4.960 0 40 GJAB CCCN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 6323966 ZEFLFADORBCENX-LDADJPATSA-N 398.440 4.620 0 40 GJAB CC(C)/N=C1\S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1C(C)C 6324793 NJMSYAZXVXSZNP-GTQPVGENSA-N 399.472 4.944 0 40 GJAB Cc1ccc([C@H](C)NC(=O)CSc2nccn2-c2cccc(F)c2)cc1C 6972968 LAVFJNBQDNDVEU-INIZCTEOSA-N 383.492 4.598 0 40 GJAB Cc1nc2cc(N[C@@H](C)C(=O)NC(c3ccccc3)c3ccccc3)ccc2o1 8189302 DNKVFAMUIOCGKP-INIZCTEOSA-N 385.467 4.842 0 40 GJAB Cn1ccnc1[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 8215930 VOQZERFHJKSHQB-QHCPKHFHSA-N 399.469 4.597 0 40 GJAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 8273425 DVARYOIEOHLQRU-UHFFFAOYSA-N 391.515 4.769 0 40 GJAB COc1ccc(OC)c([C@H](C)NCc2ccc(-n3cnc4ccccc43)cc2)c1 8395487 WHUOJLXXQKDQLJ-KRWDZBQOSA-N 387.483 4.894 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1 9625392 NZFLVIMACVJTDX-UHFFFAOYSA-N 394.500 4.894 0 40 GJAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 10291289 PXLHUVVBNBIMDX-QFIPXVFZSA-N 397.471 4.547 0 40 GJAB Cc1ccc(Cl)c(NC(=O)CSc2nc(CC3CCCC3)n[nH]2)c1Cl 11498817 KSMBWLTWDVRFTN-UHFFFAOYSA-N 399.347 4.883 0 40 GJAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)CC3CCCCC3)cc2)on1 12158860 BPUKEFBNQJHNPT-UHFFFAOYSA-N 390.487 4.694 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ccccc2Cl)CC1 12554386 SLBHLEZELRXLQD-UHFFFAOYSA-N 397.931 4.734 0 40 GJAB CSc1nc(C)c(CCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c(C)n1 12911136 QWGIHAAIMOBXGQ-UHFFFAOYSA-N 398.359 4.713 0 40 GJAB CC(C)(C)c1cc(NC(=O)Cc2c[nH]c3ccccc23)n(Cc2ccccc2)n1 12996311 QMTBKWPRCXLLPU-UHFFFAOYSA-N 386.499 4.891 0 40 GJAB O=C(Cc1csc(-c2ccccn2)n1)N(Cc1ccco1)Cc1cccs1 14635077 NBBUGMIAHQRLGX-UHFFFAOYSA-N 395.509 4.631 0 40 GJAB COc1cc(NC(=O)CNc2ccccc2Oc2ccccc2)cc(OC)c1 15124496 PRXNWTFJZAGNQQ-UHFFFAOYSA-N 378.428 4.547 0 40 GJAB CCOc1ccc(-n2ccnc(SCc3c(F)cccc3Cl)c2=O)cc1 17315362 RODATDJPJPYFBQ-UHFFFAOYSA-N 390.867 4.716 0 40 GJAB CCOCCCNC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 17401206 NQGKBORUXLAJAF-UHFFFAOYSA-N 380.460 4.901 0 40 GJAB O=C(COc1ccccc1Cc1ccccc1)OCc1cc(-c2ccco2)on1 18277119 PULFSEUDPRIXNZ-UHFFFAOYSA-N 389.407 4.648 0 40 GJAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1cccc(Cl)c1 20454806 ZXHOVFAXXCXKPX-ZDUSSCGKSA-N 384.328 4.810 0 40 GJAB CCN(C(=O)Cn1c([C@@H](C)N2CCCCC2)nc2ccccc21)c1ccccc1 21171072 SRYVFOBXBLDZQK-LJQANCHMSA-N 390.531 4.636 0 40 GJAB C[C@H](N[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 21796106 QTCZIIMWGLGSEB-NWDGAFQWSA-N 386.801 4.916 0 40 GJAB COc1ccccc1NC(=O)c1cccnc1Nc1ccc(Br)cc1 22072153 OQWPCKALYCVXCT-UHFFFAOYSA-N 398.260 4.849 0 40 GJAB Cc1noc(C)c1COc1ccc(CC(=O)N(Cc2ccccc2)C(C)C)cc1 22323237 SFPFRPAPKVOJMX-UHFFFAOYSA-N 392.499 4.850 0 40 GJAB COc1ccccc1-c1nnc(SCc2cc(C)on2)n1-c1ccc(C)cc1 24969393 HLWKJOWMLPKTIP-UHFFFAOYSA-N 392.484 4.840 0 40 GJAB Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2N2CCOCC2)c1C 27525502 DCYYROVMCTWUPX-LNVKXUELSA-N 399.947 4.687 0 40 GJAB C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1ccc(Cl)cn1 28367935 PNZVGMBCUKEBJQ-CYBMUJFWSA-N 387.867 4.606 0 40 GJAB COC(=O)c1ccc(CN(C)C(=O)c2ccccc2Oc2ccccc2)cc1 30210240 IPVKUOIDXCBQHJ-UHFFFAOYSA-N 375.424 4.538 0 40 GJAB CCOc1cccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 30848656 BJDBJDHITKTDGZ-UHFFFAOYSA-N 386.495 4.578 0 40 GJAB Cc1cccc(Nc2nnc(SC[C@H](O)c3ccccc3F)s2)c1C 31440806 PAGREQWLDKERQZ-INIZCTEOSA-N 375.494 4.863 0 40 GJAB Cc1cccn2c(=O)cc(COc3ccccc3-c3nc4ccccc4s3)nc12 32810204 WFCPVGCBSRDKDK-UHFFFAOYSA-N 399.475 4.859 0 40 GJAB CC1CCN([C@@H](CNC(=O)c2ccc3ncsc3c2)c2cccs2)CC1 33028220 LEBGCWJYMZCJOJ-KRWDZBQOSA-N 385.558 4.561 0 40 GJAB CCOc1ccc(-c2noc(CSc3nccn3-c3ccccc3)n2)cc1 33278085 YKDGRMBIKOGRJM-UHFFFAOYSA-N 378.457 4.613 0 40 GJAB CCCCn1nc(C)c(/C=C/C(=O)Nc2ccccc2N2CCCC2)c1Cl 39496454 QVRKXPAGEAKBED-VAWYXSNFSA-N 386.927 4.897 0 40 GJAB CN(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C1CCCCCCC1 58151207 WTOZXARUUFFIKL-UHFFFAOYSA-N 375.900 4.894 0 40 GJAB Cc1ccc2nc([C@H]3CCCN3C(=O)CCC(=O)c3cc(C)sc3C)[nH]c2c1 61461701 PAMLNYHOGAYDOH-LJQANCHMSA-N 395.528 4.876 0 40 GJAB FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3)n2)cc1 67898573 SAZICEMAUHZLLJ-IBGZPJMESA-N 387.405 4.669 0 40 GJAB biogenic,in-vitro Fc1ccccc1-c1ccc(CNCCc2nc(-c3ccncc3)cs2)o1 78869799 YVGHTLPLAPISBN-UHFFFAOYSA-N 379.460 4.937 0 40 GJAB Fc1ccc(N2CC[C@H](CNc3nc(C(F)(F)F)nc4ccccc34)C2)cc1 84593258 VCJJCHYDDFKGJI-CYBMUJFWSA-N 390.384 4.726 0 40 GJAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)c(F)c1 95067875 WXHJQRNHCIHAIK-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB O=C(Nc1ccccc1C(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccccc1 95348838 VZSKLSMCSXEIBK-UHFFFAOYSA-N 395.462 4.619 0 40 GJAB Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc2)c1 95395343 SPNJPDZAEBHWEJ-QGZVFWFLSA-N 376.460 4.922 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 216231982 TWAFENTVEOHSGX-CYBMUJFWSA-N 381.900 4.988 0 40 GJAB Cc1cccc(CNC(=O)COc2ccc3ccccc3c2Br)c1 218906269 LPESJXFNFUAZDY-UHFFFAOYSA-N 384.273 4.606 0 40 GJAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1cccc3ccccc13)CC(C)(C)O2 218914700 NNKARDYBAPHDHQ-FQEVSTJZSA-N 375.468 4.946 0 40 GJAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 225520475 MQUYERRSNSRNCL-OSVNEOKWSA-N 388.467 4.545 0 40 GJAB COC(=O)c1cc(NC(=S)N[C@H](C)c2cc(C)ccc2C)ccc1Cl 225537053 SQTIOHRZWRULLH-CYBMUJFWSA-N 376.909 4.791 0 40 GJAB COc1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1 225606028 HVLDDQQOOMHZGE-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1C(C)C 225686518 GSCLDBRQBHKMSU-KRWDZBQOSA-N 375.534 4.783 0 40 GJAB O=C(c1cccnc1)N1CCCC[C@@H]1c1ccc(Cc2cccc(F)c2)nc1 257264067 LSTVOCGPURLMNZ-JOCHJYFZSA-N 375.447 4.574 0 40 GJAB C[C@H](CCc1ccccc1)NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 408619591 JPXCPRHCFDNREE-LJQANCHMSA-N 396.490 4.927 0 40 GJAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)c1 408697418 HFRTVARYZCATKJ-UHFFFAOYSA-N 386.430 4.943 0 40 GJAB CCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408714386 PUGXVYUBCLBWLW-UHFFFAOYSA-N 393.487 4.705 0 40 GJAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC 408817502 WKLARDNAIPRJRR-GDNBJRDFSA-N 375.833 4.598 0 40 GJAB CCOc1ccc2cc(C(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)[nH]c2c1 513550735 MFTNZDRIECSXKX-QGZVFWFLSA-N 380.410 4.761 0 40 GJAB COc1ccc(CCNC(=O)[C@@H]2[C@H]3CC/C=C\CC/C=C/CC[C@H]32)cc1OC 584904345 HIORFBZGFBAVJO-WCGZNKMGSA-N 383.532 4.691 0 40 GJAB CC(C)CNC(=O)c1cc(NC(=O)c2ncsc2C(C)C)ccc1Cl 585085336 RTYPDYIPGASHSF-UHFFFAOYSA-N 379.913 4.558 0 40 GJAB O=C([C@@H]1CC12CCOCC2)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 618963243 AFSJWCQTTSAGNO-HKUYNNGSSA-N 387.932 4.692 0 40 GJAB CC(C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 942781 YCIPBJPJBSDMNB-ZDUSSCGKSA-N 386.831 4.832 0 40 GJAB CCCCCOC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2424378 TXUAAFORGVDTNN-UHFFFAOYSA-N 388.471 4.811 0 40 GJAB O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)N=C2CCCCCN12 3212382 RLCAIHAQMCMPHK-VBKFSLOCSA-N 385.261 4.865 0 40 GJAB Cc1c(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)oc2ccccc12 3332025 PSJQSNRVMBUQKS-UHFFFAOYSA-N 391.395 4.851 0 40 GJAB CC(C)Cc1nnc(NC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)s1 3358052 JHPIZNLECJJMBT-ZDUSSCGKSA-N 380.517 4.662 0 40 GJAB Cc1ccc(NC(=O)CN(C)C(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1 3555466 IHFSHAQFOZJKSR-UHFFFAOYSA-N 396.531 4.549 0 40 GJAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)s1 4358390 ZGGQACKWPNAVJJ-UHFFFAOYSA-N 390.921 4.601 0 40 GJAB CCOc1ccc(C(=O)N(CCN(CC)CC)c2nc3ccccc3s2)cc1 4585320 INDRCHHBEMNKAB-UHFFFAOYSA-N 397.544 4.684 0 40 GJAB COc1ccc(CSc2nnc([C@@H](C)Oc3ccccc3F)o2)cc1F 4937982 UQOABZOIDVRSHY-LLVKDONJSA-N 378.400 4.789 0 40 GJAB CC(=O)Nc1ccc(NCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 5150399 CSUCXPVMMPSNCT-UHFFFAOYSA-N 399.498 4.710 0 40 GJAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 6336666 OEJGGORRJCQUCS-UHFFFAOYSA-N 391.267 4.748 0 40 GJAB Cc1cc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)ccc1Cl 6738844 CDSIKLVFXJMUQT-UHFFFAOYSA-N 382.872 4.964 0 40 GJAB CCOC(=O)c1cc(NC(=O)N(Cc2ccco2)C2CCCCC2)c(C)nc1C 6809960 HCIZZIWWHKABRH-UHFFFAOYSA-N 399.491 4.835 0 40 GJAB CCN1C(=O)S[C@@H](Cc2ccccc2OCc2ccc(Cl)cc2)C1=O 6952478 FYIFRNFLNMYAQU-KRWDZBQOSA-N 375.877 4.545 0 40 GJAB Cc1ccc(Nc2nnc(S[C@H](C(=O)N(C)C)c3ccccc3)s2)c(C)c1 6975583 SFXIMRXJLVEXJY-KRWDZBQOSA-N 398.557 4.820 0 40 GJAB CC(C)c1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 7073518 BWAXOAVHINHOQU-JLHYYAGUSA-N 376.500 4.701 0 40 GJAB Cc1cc(Cl)ccc1OCc1nnc(SCc2cccc(C(=O)O)c2)o1 7605199 SSXUFHQYCPJEQZ-UHFFFAOYSA-N 390.848 4.601 0 40 GJAB O=C(COc1ccccc1F)Nc1nc(-c2ccco2)c(-c2ccco2)s1 7670849 KRIICKVHHFVCTG-UHFFFAOYSA-N 384.388 4.820 0 40 GJAB Cc1cc(CSc2nc3ccccc3c(=O)n2[C@@H](C)c2ccccc2)no1 7832722 XWFDCENZTSJOJB-HNNXBMFYSA-N 377.469 4.595 0 40 GJAB c1ccc(-n2c(SC[C@H]3CCCO3)nnc2-c2cc3ccccc3[nH]2)cc1 8191862 QQTBTCAFNCSHOF-QGZVFWFLSA-N 376.485 4.687 0 40 GJAB Cc1cc(SCC(=O)N[C@H]2CCSc3ccccc32)nc2ccccc12 8342338 LKHRTXONWSBVTO-SFHVURJKSA-N 380.538 4.989 0 40 GJAB Cc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O 8571033 PINAEZFWCXQCPH-UHFFFAOYSA-N 382.419 4.578 0 40 GJAB Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)N1CCCCCC1 8772072 ZDDVALUWAZLPGR-UHFFFAOYSA-N 392.912 4.765 0 40 GJAB COC(=O)c1ccc(C)c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 8983006 YEHOROJYLXDGFL-UHFFFAOYSA-N 398.846 4.661 0 40 GJAB CCC(=O)N1CCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C1 9035512 VKHHDODJMQCFQA-UHFFFAOYSA-N 384.479 4.901 0 40 GJAB O=C(NCCC1=CCCCC1)c1ccccc1OCc1cn2ccccc2n1 9116022 RVVXXYVVQOQKLB-UHFFFAOYSA-N 375.472 4.534 0 40 GJAB C[C@@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccc(F)cc1 10237013 VLEYBDDYRGNNGS-CYBMUJFWSA-N 397.450 4.761 0 40 GJAB CCOC(=O)c1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1 10440866 MZSOYLSSQSTPJO-UHFFFAOYSA-N 381.856 4.528 0 40 GJAB CCCc1cc(O)nc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)n1 11443222 ILBWFYXUDVVFQE-VIFPVBQESA-N 386.304 4.561 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)Nc2nc(-c3cccs3)ns2)ccc1Cl 11917589 FVBCRWCBUWQUIH-JTQLQIEISA-N 379.894 4.634 0 40 GJAB Cc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c(C)c1 12785259 XNQXNDWPQYSGQT-UHFFFAOYSA-N 384.277 4.812 0 40 GJAB CCc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3c3ccccc3)n2)cc1 12819673 OOQITIAQZZDHSV-HXUWFJFHSA-N 375.472 4.595 0 40 GJAB CC(C)n1ncc2cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)cnc21 12992630 IFDWNTDEPRFHSD-UHFFFAOYSA-N 377.275 4.591 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)CC(C)C)c1 14405071 ORDMXAOPBCUPQM-UHFFFAOYSA-N 390.487 4.726 0 40 GJAB COc1ccc(-c2nc(CNC(=O)c3ccc(OCC(C)C)cc3)cs2)cc1 15832700 CLIJGFXZGFBAMI-UHFFFAOYSA-N 396.512 4.784 0 40 GJAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C)c(Cl)c2)o1 15881423 MFFJWZWYNOFVKR-UHFFFAOYSA-N 394.862 4.854 0 40 GJAB CCCCOc1ccc(NS(=O)(=O)c2cc(Cl)c(C)cc2OC)cc1 16780616 GNPRNLNIWHVLAW-UHFFFAOYSA-N 383.897 4.637 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)c(Cl)c1 20481663 LIYPJINXGJMVFV-SFHVURJKSA-N 389.879 4.930 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 22246131 OQZNEILIQNGSIQ-LBPRGKRZSA-N 385.464 4.834 0 40 GJAB Cc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22907708 RCAOVTMZVYKBMC-OAQYLSRUSA-N 376.525 4.586 0 40 GJAB Cc1cc(Cl)c(C(C)C)cc1OC(=O)c1ccc(N2C(=O)CCC2=O)cc1 24039185 UULTVDBGSXLDOM-UHFFFAOYSA-N 385.847 4.644 0 40 GJAB Cc1cccc(-c2nnc(SCCc3ccncc3)n2Cc2ccco2)c1 24986424 JLUZHYFAOCLPHS-UHFFFAOYSA-N 376.485 4.625 0 40 GJAB Cc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCCCC2)cc1 27662131 ISDGSGFFQKAUDJ-QHCPKHFHSA-N 380.532 4.739 0 40 GJAB CC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N(C)C)cc1 28289323 NFAPWBGXKCHRJE-HSZRJFAPSA-N 396.575 4.905 0 40 GJAB O=C(CCc1cccc(Cl)c1Cl)Nc1ccc(C(=O)N2CCCC2)cc1 31727540 ZLPBLSBOBJQALZ-UHFFFAOYSA-N 391.298 4.801 0 40 GJAB Cc1nccc(-c2cccc(NC(=O)COc3ccccc3C(C)(C)C)c2)n1 31801936 FGPUXPBPVLEDLU-UHFFFAOYSA-N 375.472 4.767 0 40 GJAB O=C(NCCc1cccnc1)c1ccccc1Nc1cccc(C(F)(F)F)c1 32349086 WXHFWFDTPQIXEF-UHFFFAOYSA-N 385.389 4.817 0 40 GJAB Clc1ccccc1-c1nc(CSc2nnnn2Cc2ccccc2)cs1 32829006 RQWWCOHFUASFEL-UHFFFAOYSA-N 399.932 4.791 0 40 GJAB CCCN(Cc1ccc(C)cc1)Cn1ncn(-c2ccccc2OC)c1=S 32932596 AYOVEXUEQYAPSF-UHFFFAOYSA-N 382.533 4.590 0 40 GJAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)c1ccccc1 33685815 PULPKGOYDNWQEQ-UHFFFAOYSA-N 395.528 4.975 0 40 GJAB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C/c1ccc2c(c1)OCO2 35648026 YHBTWDZGXKJOJV-GIDUJCDVSA-N 393.251 4.614 0 40 GJAB Cc1nccn1-c1ccccc1CNC(=O)c1ccccc1CCc1ccccc1 44900070 JMRXCYVCDZTQQG-UHFFFAOYSA-N 395.506 4.896 0 40 GJAB CCN(C(=O)C1CCN(c2ccc(Cl)cn2)CC1)c1ccccc1Cl 48300584 GTYLZLDTBXDALB-UHFFFAOYSA-N 378.303 4.658 0 40 GJAB O=C(Cc1ccccc1Cl)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200198 FIKTZLJOURMSRC-MSOLQXFVSA-N 386.879 4.559 0 40 GJAB Cc1cc2c(cc1NC(=O)c1cc3c(C)nn(-c4ccccc4)c3s1)OCO2 96004514 QKEQZQHYUPEEKI-UHFFFAOYSA-N 391.452 4.685 0 40 GJAB O=C(NCc1ccccc1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 96154794 ZMWYGUNZOBHTQR-UHFFFAOYSA-N 384.483 4.848 0 40 GJAB COCc1ccc([S@@](=O)Cc2ccc(OC)c(SC(F)(F)F)c2)cc1 97011074 MFUSFFZXXAYOKY-RUZDIDTESA-N 390.448 4.761 0 40 GJAB CCc1sc(N2C(=O)[C@H]3[C@@H]4CC[C@H](C4=C(C)C)[C@@H]3C2=O)nc1-c1ccccc1 100251318 SJECLOIEXPEKND-LTDCPUDJSA-N 392.524 4.854 0 40 GJAB CC[Si](CC)(CC)c1c(Br)cc(C(=O)O)cc1Br 195901495 XHIQBJHCMWVFBF-UHFFFAOYSA-N 394.179 4.625 0 40 GJAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(CC)Cc1nc(-c2cccs2)no1 219383092 IBROGTRCQYSFGM-MRXNPFEDSA-N 399.516 4.621 0 40 GJAB Cc1ccc(-c2nnc(NC(=O)COc3ccccc3C(C)(C)C)s2)cc1 222796535 STHJGXIPKBLHOZ-UHFFFAOYSA-N 381.501 4.829 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1cccc(OC)c1 223025816 DWEHHQKHHRNXKG-FQEVSTJZSA-N 375.896 4.563 0 40 GJAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223091396 LYOYGMLQMOOBHL-WOJBJXKFSA-N 382.577 4.943 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1ccco1 223339920 NXVXNKIGLCBGAV-RTWAWAEBSA-N 392.528 4.764 0 40 GJAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 224209585 DJWZTLUXNNUMGF-SFTDATJTSA-N 376.529 4.950 0 40 GJAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c1 224895408 VLNIXNYFGHPEHE-AWEZNQCLSA-N 379.551 4.617 0 40 GJAB FC(F)(F)c1cc(NC(=S)NCCCN2CCCCC2)ccc1Cl 225409905 DLEIUPUBSRFWKD-UHFFFAOYSA-N 379.879 4.521 0 40 GJAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225847549 CHOVJTILVSRHJX-NRFANRHFSA-N 379.497 4.576 0 40 GJAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(Br)cc1 226254880 PEXAKAAMMANWFA-CYBMUJFWSA-N 388.309 4.662 0 40 GJAB Clc1ccc(COc2ccc(-c3nn4cnnc4s3)cc2)c(Cl)c1 226298567 LHUHXTASKOJQOU-UHFFFAOYSA-N 377.256 4.739 0 40 GJAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)S1 260756104 DEJLYBVMSFNIQA-VOBQZIQPSA-N 378.476 4.601 0 40 GJAB Cc1sc(NC(=O)c2ocnc2C(F)F)nc1-c1ccc2c(c1)CCC2 585123513 QBZAZTDDRGWPTJ-UHFFFAOYSA-N 375.400 4.785 0 40 GJAB CCCC(=O)N1CCOCCOc2ccc(C(C)C)cc2Cc2cccc(c2)C1 643564797 GPIZPMUUXMTGAX-UHFFFAOYSA-N 395.543 4.939 0 40 GJAB FC(F)(F)[C@@H]1CC(Nc2nnc(-c3ccon3)s2)C[C@@H](C(F)(F)F)C1 672162009 TUOSPQNSUYZBIJ-BQBZGAKWSA-N 386.321 4.515 0 40 GJAB CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1 797499 FNGYDAKHFMWPOW-UHFFFAOYSA-N 389.908 4.831 0 40 GJAB CCn1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1 925432 TTYQIULOUUSKPE-INIZCTEOSA-N 380.517 4.701 0 40 GJAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Br)ccc1Br 1017162 BNOBQQUDCIVBRE-RNCFNFMXSA-N 375.104 4.520 0 40 GJAB O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1cccc(Cl)c1 1383883 JMKXAXUZIWRZPA-UHFFFAOYSA-N 379.891 4.602 0 40 GJAB Clc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 1398528 NVGGHEIBFBOAHY-UHFFFAOYSA-N 383.904 4.785 0 40 GJAB O=C(O)[C@@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)c1nccc2ccccc12 1718225 CAMIDTHISYSANX-FGZHOGPDSA-N 381.431 4.950 0 40 GJAB O=Cc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C=O)c3C1)CCCC4)CCCC2 1855659 ZWQLBQFKDGWFBS-UHFFFAOYSA-N 384.519 4.953 0 40 GJAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@@H]3CC(=O)[C@]12C 3850271 WHQYZHCEDYYAAN-HHBXXMKESA-N 388.548 4.894 0 40 GJAB O=P(NOCc1ccccc1)(NOCc1ccccc1)Oc1ccccc1 3851138 NXGKYPWAYVQYSQ-UHFFFAOYSA-N 384.372 4.616 0 40 GJAB biogenic NC(=O)[C@@H](c1ccc(Sc2ccccc2)nn1)c1c(Cl)cccc1Cl 3851349 KNYQYXSUQUVOAS-KRWDZBQOSA-N 390.295 4.552 0 40 GJAB biogenic O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1cc(F)c(F)cc1Cl 4847059 ZIFSPJAIOFSNLD-UHFFFAOYSA-N 390.769 4.570 0 40 GJAB C[C@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccccc1 5147370 QHCSYSWCAOTQSA-AWEZNQCLSA-N 379.460 4.622 0 40 GJAB CCCOc1c(Br)cc(C(=O)Nc2cccc(OC)c2)cc1OC 5558372 IIQYOSDJLKHRSC-UHFFFAOYSA-N 394.265 4.507 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cn2cc(Cl)ccc2n1 6353455 BBASZRSJKOEKHV-UHFFFAOYSA-N 379.243 4.542 0 40 GJAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc(-c2ccccn2)cs1 6792915 LQFTVOKRWNIVCT-UHFFFAOYSA-N 387.892 4.965 0 40 GJAB Cn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1C1CC1 7235205 XHGDYFLNBKTIMH-HXUWFJFHSA-N 388.496 4.890 0 40 GJAB CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(Br)cc2)o1 7602219 PYFXWJIQVJHFCR-UHFFFAOYSA-N 393.310 4.659 0 40 GJAB CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1C1CC1 7618405 UWHCCSOPUAMEPS-GOSISDBHSA-N 396.491 4.787 0 40 GJAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1ncc(-c2ccc(Cl)cc2)o1 7701734 CKQHYPNFNWQHOC-UHFFFAOYSA-N 390.270 4.719 0 40 GJAB O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@@H]1COc2ccccc2O1 7794084 JDZLXPYTEFCXFZ-IBGZPJMESA-N 388.448 4.742 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc4ccccc34)CC2=O)cc1Cl 7881785 MAAVVBWXCFYCJF-MRXNPFEDSA-N 378.859 4.793 0 40 GJAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(N2CCCCCC2)cc1 8162874 FFRYEVZTBZVWFC-UHFFFAOYSA-N 376.504 4.618 0 40 GJAB CCOc1cc(CNC2CC2)cc(Br)c1OCc1ccccc1F 8254129 FLONZCSIQGLEQD-UHFFFAOYSA-N 394.284 4.818 0 40 GJAB C[C@@H](NC(=O)/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)c1ccccc1 8280810 LXELVVQKPNZMEQ-LBKOFNPBSA-N 397.478 4.804 0 40 GJAB CCc1ccc(CN(C(=O)Nc2ccccc2)c2nnc3n2CCCCC3)cc1 8337937 WGQPDAXSABMQOJ-UHFFFAOYSA-N 389.503 4.806 0 40 GJAB O=C(c1ccc(-n2cccn2)cc1)N(CCc1cccs1)Cc1cccs1 9513107 OIDBCXKBQUCDNF-UHFFFAOYSA-N 393.537 4.880 0 40 GJAB CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)c1 12062904 YVZYVMHMFDHNTI-OAQYLSRUSA-N 391.467 4.845 0 40 GJAB CC(C)n1ncc2c(C(=O)Nc3ccccc3Br)cc(C3CC3)nc21 12769482 AXJZDMNMRWJPMO-UHFFFAOYSA-N 399.292 4.904 0 40 GJAB COc1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cn1 12791350 GVCVJULZSJGWIA-UHFFFAOYSA-N 377.425 4.726 0 40 GJAB CCc1ccc(Cl)c(CC)c1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 15192843 LBSMPEPUOGFNLM-UHFFFAOYSA-N 386.858 4.745 0 40 GJAB Cc1cccc(C)c1NC(=O)[C@]1(c2cccs2)CC(=O)N1c1ccccc1 15413517 QNHOKAYMSASUMN-JOCHJYFZSA-N 376.481 4.636 0 40 GJAB O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(O)cc1 18212300 CYSQSVAGOLJPOX-CJRSTVEYSA-N 395.458 4.635 0 40 GJAB COc1cccc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)c1 19690429 QQGORJYZGCDKAZ-QFIPXVFZSA-N 388.515 4.555 0 40 GJAB Cc1cc(-c2cncnc2)cc(C2CCN(Cc3ccnc4ccccc34)CC2)n1 19692176 CCHAAKZSTKOERK-UHFFFAOYSA-N 395.510 4.775 0 40 GJAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(Cc3ccccc3F)CC2)C1 19712782 LMNKTCXFRJBPIC-GMAHTHKFSA-N 382.523 4.690 0 40 GJAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OC)ccc1Cl 20111156 VDDUFGAAGRKUNP-OAHLLOKOSA-N 382.243 4.576 0 40 GJAB COc1ccc([C@@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1 20489332 SXFQNQUYELJCBJ-CYBMUJFWSA-N 394.334 4.568 0 40 GJAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1cccc(F)c1)CO3 20609829 JAHBOZZQENCXNI-UHFFFAOYSA-N 395.474 4.978 0 40 GJAB biogenic Cc1ccc(CN(C)Cc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)cc1 20686533 HPWMLOPGFCCADN-UHFFFAOYSA-N 393.487 4.731 0 40 GJAB Cc1cccc([C@H]2CC(=O)c3cn4nc(-c5ccc(Cl)cc5)nc4nc3C2)c1 20796022 WDQRLOZUOXADKC-MRXNPFEDSA-N 388.858 4.666 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1NC1CCCCC1 22072917 NSJMAPBFAXOVOM-UHFFFAOYSA-N 379.382 4.977 0 40 GJAB O=c1nc(SCc2ccccc2Cl)c2c(n1CCc1ccccc1)CCC2 27994078 VSRLZVKEHLFNLN-UHFFFAOYSA-N 396.943 4.920 0 40 GJAB COc1ccc([C@@H](CNC(=O)c2oc3cc(C)ccc3c2C)N2CCCC2)cc1 28287593 PCPDLSUJTDMEAT-OAQYLSRUSA-N 392.499 4.625 0 40 GJAB O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1cccc(CN2CCCC2=O)c1 31798656 URTYGEURWBDDKL-DEOSSOPVSA-N 390.527 4.860 0 40 GJAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(C)[C@H](C)C(C)C 32245496 BFRUVZJXTYGDSV-CYBMUJFWSA-N 382.335 4.841 0 40 GJAB Cc1ccc([C@H]2CCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 32754140 YHTRCDHGYPYMOL-OAQYLSRUSA-N 389.499 4.716 0 40 GJAB CCc1ccc(NC(=O)CSCc2cc(=O)c3ccc(C)c(C)c3[nH]2)cc1 33064030 XNSDPQPPCJUWOV-UHFFFAOYSA-N 380.513 4.579 0 40 GJAB CN(Cc1cc(Br)cs1)C(=O)c1ccccc1Br 37506002 PIKHULPVRVSACQ-UHFFFAOYSA-N 389.112 4.545 0 40 GJAB CCN(CC)CCC[C@H](C)NC(=O)CCc1ncc(-c2ccccc2Cl)o1 42538981 DJWIFUUBBPDEHG-INIZCTEOSA-N 391.943 4.554 0 40 GJAB Cc1ccccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57314344 IRJIUHDURJPAPS-UHFFFAOYSA-N 385.511 4.570 0 40 GJAB CCN(C(=O)[C@H](C)[S@](=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 78556049 YLYSVNUUJOKYJF-RZFZLAGVSA-N 384.328 4.684 0 40 GJAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Nc2cccc3ccccc23)cc1 89904828 XEZKLEQJEFTEFZ-ISKFKSNPSA-N 390.483 4.752 0 40 GJAB Cc1sc(-c2ccco2)nc1C(=O)NCCc1csc(-c2ccccc2)n1 95409573 OWCKNCLGUPQPRJ-UHFFFAOYSA-N 395.509 4.808 0 40 GJAB C[C@@H](NCc1csc(CCc2ccccc2)n1)c1ccc2c(c1)CCC(=O)N2 97228483 QSCAIQOAPUXSNC-MRXNPFEDSA-N 391.540 4.664 0 40 GJAB CC/C=C\C[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 115726482 RVYRACSQDXBCPZ-WYWYZYFQSA-N 379.456 4.725 0 40 GJAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](F)C(=O)C(F)(F)C[C@]4(C)[C@H]3CC[C@@]21C 118926049 UFYRJOXAZPLNOO-XIJSXNRHSA-N 386.454 4.723 0 40 GJAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1Cc1ccco1 223331296 HVOHMIZRZJSAMM-HZPDHXFCSA-N 375.906 4.562 0 40 GJAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)ccc21 225107573 JMWHVYUTXOZYQG-AWEZNQCLSA-N 384.501 4.612 0 40 GJAB COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc2sc(NN)nc12 226309722 KCJKKFJBYWJCSE-UHFFFAOYSA-N 390.468 4.510 0 40 GJAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)on1 257232072 GJHYAQPGCCFNKX-LJQANCHMSA-N 379.460 4.744 0 40 GJAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccc(C)cc3)sc2n1 408618891 HVNPNDVDKMHJHH-UHFFFAOYSA-N 398.557 4.964 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1C 408628207 QUWNABSWAGFFGW-UHFFFAOYSA-N 397.725 4.846 0 40 GJAB Cc1ccc(S(=O)(=O)Oc2ccc(CNc3ccc(C)cc3C)cc2)cc1 409115040 GROMQCMNIMXFOA-UHFFFAOYSA-N 381.497 4.992 0 40 GJAB CSCC[C@@H](NC(=O)[C@H](CC(C)C)n1cccc1)c1nc2ccccc2n1C 575444531 UTGLJINURSAZPQ-QUCCMNQESA-N 398.576 4.573 0 40 GJAB CCOc1ccc(Cc2n[nH]c3c2C(=O)C[C@H](c2ccccc2)C3)cc1OCC 1080803 OBUCJKDRAQOVAI-GOSISDBHSA-N 390.483 4.711 0 40 GJAB COc1ccc(-c2nc(C)nc(C(F)(F)F)c2-c2csc(C)n2)c(O)c1 1278798 DEZVJKUSCGECGV-UHFFFAOYSA-N 381.379 4.617 0 40 GJAB COc1cc(O)ccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1 1287824 FFULOCGAMUJDLS-HXUWFJFHSA-N 380.831 4.825 0 40 GJAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)NCc1ccco1 2658444 ANFCHHAXTKKERU-VAWYXSNFSA-N 380.831 4.515 0 40 GJAB CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 3355815 MFSTWKBXVWGWMZ-UHFFFAOYSA-N 387.892 4.631 0 40 GJAB CC(=O)c1cc(F)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 3364020 LHOXJOLLQIEDEP-JTQLQIEISA-N 384.234 4.591 0 40 GJAB Cc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)cc4F)csc3n2)cc1 5147126 XSOSDDXTASEZEC-UHFFFAOYSA-N 383.423 4.831 0 40 GJAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1cc(C)oc1C 5468418 HFORHSDVNFVRES-UHFFFAOYSA-N 376.405 4.784 0 40 GJAB Cc1ccc(OCCSc2nc(-c3ccccc3Br)n[nH]2)cc1 6064783 YLVLXVAARYRUCX-UHFFFAOYSA-N 390.306 4.714 0 40 GJAB O=C(CSc1nc2sccc2c(=O)n1-c1ccccc1)c1ccc(F)cc1 6907540 XDWJWAOBQKMWSX-UHFFFAOYSA-N 396.468 4.561 0 40 GJAB O=C(COc1ncnc2sc(-c3ccccc3)cc12)Nc1c(F)cccc1F 6947764 SNKXKUOLNLBIKT-UHFFFAOYSA-N 397.406 4.654 0 40 GJAB COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 7652404 IRDFMDJRLCAWBU-UHFFFAOYSA-N 381.432 4.795 0 40 GJAB O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@@H]1CCCO1 7758273 TXFRFWPKGBQMNN-INIZCTEOSA-N 378.291 4.718 0 40 GJAB COc1cc(C)c(C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1C(C)C 8333872 PBJDJWMVFRCZIJ-FQEVSTJZSA-N 383.513 4.934 0 40 GJAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2ncnc3ccccc23)cc1 8527417 JSHBVUKTZDMBJW-AWEZNQCLSA-N 379.485 4.588 0 40 GJAB O=C(c1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1)N1CCCCC1 9191804 FWEIFOJFUNSKPO-UHFFFAOYSA-N 397.482 4.766 0 40 GJAB c1ccc2sc(C3CCN(Cc4nc(-c5ccsc5)no4)CC3)nc2c1 9578331 KLUPCMWFLSTCQZ-UHFFFAOYSA-N 382.514 4.787 0 40 GJAB COc1cc(/C=C/C(=O)O)cc(Br)c1OCc1cccc(Cl)c1 11946930 BYZDWEVXCQPIFT-AATRIKPKSA-N 397.652 4.788 0 40 GJAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cnc(-c2ccccc2F)s1 12390400 CWCWOPJYNVHDNV-CQSZACIVSA-N 393.487 4.720 0 40 GJAB O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1C[C@H]1CCCO1 12564335 TULYYVJKZGEUEJ-ACJLOTCBSA-N 377.271 4.739 0 40 GJAB COC(=O)c1ccc(C)c(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1 12755322 YGAFMBIOUWRDMG-ZDUSSCGKSA-N 376.456 4.640 0 40 GJAB CCC(=O)Nc1ccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cc1 12756523 PYDSTBOBATVZIK-UHFFFAOYSA-N 391.496 4.952 0 40 GJAB CC(C)c1ccccc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 12866121 QGPRFJQFNVOAKH-NRFANRHFSA-N 394.515 4.747 0 40 GJAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2SCC(F)(F)F)cc1 14814739 KALJYVQKXPJHEU-UHFFFAOYSA-N 397.418 4.951 0 40 GJAB CC(C)[C@@H](NC(=O)c1ccccc1I)c1ccc(F)cc1 18136217 CGEFRPSDNSBKQJ-MRXNPFEDSA-N 397.231 4.557 0 40 GJAB Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)Cc1cccc(Cl)c1 19239582 CSSRZBHEDIQQEL-FQEVSTJZSA-N 394.906 4.730 0 40 GJAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccccc2)c(Br)c1 20460568 AMQDAAOPOCYWIA-QGZVFWFLSA-N 376.294 4.658 0 40 GJAB COc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1OC 20486886 NXQVBMVPFMQZKC-QGZVFWFLSA-N 391.467 4.774 0 40 GJAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2CC)cc1OCC 20489839 WWPFNWZGZMWMOV-SJORKVTESA-N 385.504 4.691 0 40 GJAB CCCC(=O)NC[C@@H](c1ccc(OCC)c(OC)c1)c1c[nH]c2ccccc12 21789291 DMDMHOSEISFCQH-SFHVURJKSA-N 380.488 4.623 0 40 GJAB O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc(F)c(F)c1 22766089 YZBHQADPQLNXKY-OAQYLSRUSA-N 398.478 4.556 0 40 GJAB CC(=O)Nc1ccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1 26013264 GYEHULVSNQMVNX-UHFFFAOYSA-N 378.403 4.615 0 40 GJAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)C12CC3CC(CC(C3)C1)C2 27664526 ZKJFXKZZKHHPFM-WWFGTJDESA-N 386.967 4.810 0 40 GJAB Cc1cccnc1N(Cc1cccs1)C(=O)c1ccc(Br)o1 27748877 VZVGKZFGKNBTRO-UHFFFAOYSA-N 377.263 4.654 0 40 GJAB C[C@H](N[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cn1 32759589 BKJUBXJOXMYEGH-OXJNMPFZSA-N 379.891 4.636 0 40 GJAB O=C(OCc1cccc2cccnc12)c1nccnc1-c1nc2ccccc2s1 32865437 LIDCOMORQUNXKG-UHFFFAOYSA-N 398.447 4.659 0 40 GJAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1cc(Cl)ccc1Cl 33040055 NNUOXGCUWVADRE-NSHDSACASA-N 381.259 4.594 0 40 GJAB CCc1ccccc1NC(=O)CSCc1cc(=O)c2c(C)ccc(C)c2[nH]1 33064119 OVMBWEARBKPGDR-UHFFFAOYSA-N 380.513 4.579 0 40 GJAB COc1ccc(Cl)cc1C(=O)N(C)c1ccc(Oc2ccc(C)nn2)cc1 38670813 VECIVYHQSXBAJF-UHFFFAOYSA-N 383.835 4.516 0 40 GJAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1 38834025 FULQJJMSKPKCFL-OAHLLOKOSA-N 387.321 4.933 0 40 GJAB Cc1ccccc1CN1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 39753182 IASSPNBDHQDPPV-UHFFFAOYSA-N 390.571 4.688 0 40 GJAB Cc1cc(Br)cc(Cl)c1NC(=O)Cc1noc2ccccc12 40134650 WGDFKDKROOMYFC-UHFFFAOYSA-N 379.641 4.733 0 40 GJAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(C)c(C)c1 41076944 YVCGUKLAPWIMKW-UHFFFAOYSA-N 377.488 4.816 0 40 GJAB CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCCCCC2)cc1 44909991 AMROAYIRTAGCFB-UHFFFAOYSA-N 394.559 4.824 0 40 GJAB O=C(c1cccnc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 72357805 LRJRXQVDLONQMX-OAQYLSRUSA-N 377.875 4.698 0 40 GJAB O=C(CCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72358650 ZATFKBCNQMTLGE-HXUWFJFHSA-N 389.474 4.622 0 40 GJAB COc1cc(Cl)ccc1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 83921516 GVDZWZQQXAGZTJ-UHFFFAOYSA-N 381.863 4.801 0 40 GJAB CCOC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccccc1OC 85397570 QZGKOFCFEYXRGJ-UHFFFAOYSA-N 383.469 4.883 0 40 GJAB O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)NCc1cccs1 90607088 SKEJLQAEFFWYDS-UHFFFAOYSA-N 386.546 4.788 0 40 GJAB CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 95482372 SLAUIKUDNOXPPR-KRWDZBQOSA-N 399.878 4.514 0 40 GJAB C[C@H]1CCCCN1C(=O)c1ccnn1-c1ccc2ccc(-c3ccccc3)cn12 96155243 KOTYNTWIWSCOMQ-SFHVURJKSA-N 384.483 4.807 0 40 GJAB COc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)ccc1OC(C)C 100765547 ICXFAVTXFRSQJB-OALUTQOASA-N 399.506 4.636 0 40 GJAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](CCc3ccccc3)[C@@H]1[C@H]2C 105363880 FCPKYEAPHJRRQX-CUTWRZPGSA-N 385.548 4.987 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c(C)c1 216031752 ZNRMUONZPDXBKD-UHFFFAOYSA-N 397.500 4.613 0 40 GJAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219616339 LLKMTLKUNWBKCS-GOSISDBHSA-N 399.878 4.514 0 40 GJAB C[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 222377142 MYCAZMDYGQEONG-QRTARXTBSA-N 392.425 4.558 0 40 GJAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 222394099 SZEWOTFCWRNNEB-HSZRJFAPSA-N 394.559 4.568 0 40 GJAB CCOc1ccc([C@H](C)NC(=O)CCc2ccc(OC)c(C)c2)cc1OCC 223511553 APWIBGVEHDUVBT-KRWDZBQOSA-N 385.504 4.611 0 40 GJAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1C 223942837 LTRPJCXLTWTAMH-MOPGFXCFSA-N 381.516 4.533 0 40 GJAB COc1cccc(OCCNC(=O)c2ccccc2SCc2ccccc2)c1 224093378 QLGIVTOXYZSHQF-UHFFFAOYSA-N 393.508 4.796 0 40 GJAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1 224366804 BGMQZLRIEGSLJC-UHFFFAOYSA-N 387.479 4.863 0 40 GJAB CCCc1ccc(OCCNC(=O)CCc2ccc(OCC)c(OCC)c2)cc1 224395343 IZUVHJUDGBKPBP-UHFFFAOYSA-N 399.531 4.564 0 40 GJAB CCc1ccc(OCCNC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1 224475144 DZGZNGAICVFQMD-LJQANCHMSA-N 377.937 4.968 0 40 GJAB COc1ccc(CCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1C 224478880 JLXMSOFFYCECCX-UHFFFAOYSA-N 399.541 4.719 0 40 GJAB CCOC(=O)c1cc(NC(=S)N[C@H](C)CCc2ccccc2)ccc1Cl 225515344 NTZVVQXSRZRFJR-CQSZACIVSA-N 390.936 4.824 0 40 GJAB COc1cc(C)c(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1C(C)C 225667342 BZDHLWDXVFYWOX-UHFFFAOYSA-N 380.488 4.815 0 40 GJAB CC(=O)N[C@]1(C)C[C@H](c2ccc(Br)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257213890 CJNQUSAGFRKSQU-RRARJMIVSA-N 380.326 4.610 0 40 GJAB Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)C(C)C)c3C)nc2c1 408617633 ATYRHKDHBHTSIN-UHFFFAOYSA-N 381.501 4.889 0 40 GJAB O[C@@H]1[C@@H](N2CCC(c3ccccc3)CC2)CCC[C@H]1Oc1ccc(Cl)cc1 585289043 DIQWYXZKQQBFFD-YTFSRNRJSA-N 385.935 4.880 0 40 GJAB CN(C)[C@H](Cc1ccccc1)C(=O)N1CC=C(c2cccc3ccccc23)CC1 592861892 HKYHNNOFBVYWQA-RUZDIDTESA-N 384.523 4.628 0 40 GJAB O=C(CCc1ccccc1Br)NCC(c1ccco1)c1ccco1 675007648 CTPDECJFQPFVNP-UHFFFAOYSA-N 388.261 4.516 0 40 GJAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1Cl 756743 WZOZHIFJAHRPDL-UHFFFAOYSA-N 386.242 4.875 0 40 GJAB Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 2302223 YPSPMGPZNYUFJZ-PKTZIBPZSA-N 396.425 4.630 0 40 GJAB Cc1c(Cl)cccc1-n1c(SC[C@H]2CCCO2)nnc1-c1ccncc1 3350650 CLGFQGLGVMTNEB-OAHLLOKOSA-N 386.908 4.562 0 40 GJAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cccc1CC 3369458 GIDSHZLWDIRJQE-UHFFFAOYSA-N 398.322 4.519 0 40 GJAB Clc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1 3369503 PFDLSJBSZRXPSO-UHFFFAOYSA-N 376.850 4.794 0 40 GJAB Cc1cccc(-c2nnc(NC(=O)CSc3nc4ccccc4s3)s2)c1 4174427 LHXPJGFOLHQZJR-UHFFFAOYSA-N 398.538 4.854 0 40 GJAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc2ccccc21 4264849 ASVKREKXFTXRAZ-UHFFFAOYSA-N 375.444 4.701 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 5136242 AUASWZCPFWARDZ-UHFFFAOYSA-N 392.480 4.602 0 40 GJAB CCOc1ccc(CC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 5997246 IFTROPLOECSEAU-QHCPKHFHSA-N 399.494 4.604 0 40 GJAB Cc1ccc(NC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 6938014 IZKCBWURFJLAHJ-UHFFFAOYSA-N 399.447 4.579 0 40 GJAB S=C(Nc1ccc(Cl)cc1)Nc1ccc(I)cc1 6970762 KPWPCRORGQUYGY-UHFFFAOYSA-N 388.661 4.754 0 40 GJAB CCSc1ccc(CC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 7597796 VSOKLVLROYPYPW-UHFFFAOYSA-N 382.510 4.996 0 40 GJAB COc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 8071560 ILDXBUDLSXQQLN-UHFFFAOYSA-N 386.245 4.648 0 40 GJAB O=C(OCc1cc(=O)oc2cc(O)c(Cl)cc12)c1cc2ccccc2s1 8274254 MWYPDYARLNFGSJ-UHFFFAOYSA-N 386.812 4.724 0 40 GJAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccccc3)c(=O)[nH]c2c1C 8586294 CGPVXWYGNGUTKJ-UHFFFAOYSA-N 386.451 4.581 0 40 GJAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H]1CCSc2ccccc21 9752450 LTMIOGSAQIOJMD-LJQANCHMSA-N 377.513 4.515 0 40 GJAB c1csc(-c2noc(CN3CCC(c4nc5ccccc5s4)CC3)n2)c1 9833894 COOQZPPMLAFOMJ-UHFFFAOYSA-N 382.514 4.787 0 40 GJAB O=C(COc1ccccc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235640 MIVAJELRGOQHNC-UHFFFAOYSA-N 386.904 4.735 0 40 GJAB CCc1ccc(CC(=O)Nc2cc(-c3ccccc3)sc2C(=O)OC)cc1 10701192 ZJZAVXUHCXLQJL-UHFFFAOYSA-N 379.481 4.945 0 40 GJAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccccc1SC(F)F 11672104 NGBHGEUMNHFYLR-UHFFFAOYSA-N 398.485 4.579 0 40 GJAB Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCCCC3)c2c1 12437944 SAUKKKNWDKBSDC-UHFFFAOYSA-N 394.540 4.983 0 40 GJAB Cc1cccc(C)c1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12982818 NKXJUDZYEZNPCI-HSZRJFAPSA-N 376.525 4.951 0 40 GJAB O=C(COc1cc2ccccc2cc1C(=O)O)Nc1cccc(C(F)(F)F)c1 13080324 KHDVSWZNJATFKZ-UHFFFAOYSA-N 389.329 4.574 0 40 GJAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1c(F)cccc1Cl 13695412 NTFJOIQSDOODRX-UHFFFAOYSA-N 384.794 4.527 0 40 GJAB CCc1sc(-c2nnc(CSc3nnc(C4CC4)n3C3CC3)o2)cc1C 14129236 QRNNUBQCAYDYOL-UHFFFAOYSA-N 387.534 4.765 0 40 GJAB O=C([C@H](Sc1nnc(-c2cccs2)o1)c1ccccc1)N1CCCCC1 14139701 WFAZDPFGUYHUII-MRXNPFEDSA-N 385.514 4.644 0 40 GJAB Cc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1C 14427028 LUDGDJGGFINXGK-ZDUSSCGKSA-N 377.271 4.602 0 40 GJAB Cc1ccc(N2CC(=O)N(c3cccc(C)c3C)[C@H](c3ccccc3)C2=O)cc1 15413297 BTEMULDQTAKHHP-XMMPIXPASA-N 384.479 4.733 0 40 GJAB COC(=O)c1cccc(Nc2c(-c3ccc(O)cc3)nc3ccc(Cl)cn23)c1 15414390 LQZPEEGUGITJMU-UHFFFAOYSA-N 393.830 4.891 0 40 GJAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)o1 15881420 HPLCDOFPARGXLI-UHFFFAOYSA-N 380.835 4.546 0 40 GJAB O=C(Nc1ccc2c(c1)OCO2)c1nc(Cl)c(Cl)c(Cl)c1Cl 16018715 OMXCSOTZOMKRGT-UHFFFAOYSA-N 380.014 4.676 0 40 GJAB Cc1cccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c1C 17135633 POOBRRQVAMYWTQ-UHFFFAOYSA-N 388.496 4.744 0 40 GJAB CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c2ccccc12 19942968 OHMWYPLKQFDLSN-IRXDYDNUSA-N 375.534 4.685 0 40 GJAB Cc1cc(C(=O)O)ccc1NC(=O)c1cccc2c(Br)cccc12 20139049 BQYXWRCILCKVPE-UHFFFAOYSA-N 384.229 4.861 0 40 GJAB CCOC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)c(Cl)c1 20488024 GBABLXMJRQFXFZ-UHFFFAOYSA-N 382.641 4.532 0 40 GJAB Cc1ccnc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 23077902 NQIVWOMYIFDCGQ-LJQANCHMSA-N 393.874 4.543 0 40 GJAB O=C([C@H]1CC=CCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 24132416 WVKMTGMGTRFQNB-FQEVSTJZSA-N 396.481 4.555 0 40 GJAB O=C(Nc1cccc2cccnc12)c1ccc(COc2ccc(F)cc2F)o1 27983691 YNDHNVKNRDFAES-UHFFFAOYSA-N 380.350 4.937 0 40 GJAB O=C(NCc1ccccc1F)c1ccccc1SCc1cn2ccccc2n1 28410299 CHQATUKXIMWCNL-UHFFFAOYSA-N 391.471 4.696 0 40 GJAB CC[C@H](C)c1ccccc1OCCOc1ccccc1/C=C1/SC(=N)NC1=O 33419764 RBRWHLSOATUZHW-AUQXIXNCSA-N 396.512 4.797 0 40 GJAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc3ccccc3c2)cc1 36092265 RFOSGQPYOSFPEK-GKIBHXGMSA-N 395.458 4.730 0 40 GJAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 41089899 DTDFFPQCEGPGBA-UHFFFAOYSA-N 387.842 4.765 0 40 GJAB CCOc1ccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 44848985 RWOCHQIYRRMIGK-UHFFFAOYSA-N 386.495 4.578 0 40 GJAB C[C@@H](Sc1nnc(COc2ccccc2Cl)o1)c1nc(C(C)(C)C)no1 48324987 PPDMMADWWRZSKV-SNVBAGLBSA-N 394.884 4.836 0 40 GJAB Cc1ccccc1-n1nc(C)c(CN(Cc2ccccn2)Cc2ccco2)c1C 57797187 IKJPDNYUEMLSQP-UHFFFAOYSA-N 386.499 4.988 0 40 GJAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)nc1Cl 60245757 TTXXOKFKQUQENO-UHFFFAOYSA-N 378.181 4.726 0 40 GJAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2cccc(Br)c2)C1 72405151 LKPBQFUHZALDMO-CQSZACIVSA-N 388.290 4.879 0 40 GJAB CCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1[C@@H](C)CC 72414284 COMPLGGHGVVASL-HNNXBMFYSA-N 384.501 4.948 0 40 GJAB CCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 80350538 NDARNUNVWAZQCT-WMLDXEAASA-N 383.923 4.679 0 40 GJAB Cc1ccc(N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1 219851667 JJDNENCAYWGQCE-UHFFFAOYSA-N 377.315 4.835 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1Cl 222564251 YWBOMPPACFTFKV-UHFFFAOYSA-N 386.879 4.617 0 40 GJAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 222915905 XYTHVHWCEJBLCP-QFIPXVFZSA-N 398.522 4.629 0 40 GJAB CC[C@@H](NS(=O)(=O)c1ccc(SC)cc1)c1ccc2c(c1)CCCC2 223060275 ITDXSBJQZLESKJ-HXUWFJFHSA-N 375.559 4.717 0 40 GJAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc2ccccc2c1 223623290 KKIZSWSCDXMYRQ-JOCHJYFZSA-N 377.484 4.809 0 40 GJAB CC(C)c1ccccc1OCCNC(=O)CCCOc1ccc(Cl)cc1 223776534 DPOAAUUUQXMTFL-UHFFFAOYSA-N 375.896 4.818 0 40 GJAB CCC1(CC)C[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 224320925 IAPOWKXXHVHOGY-SFHVURJKSA-N 393.936 4.842 0 40 GJAB CCOc1ccccc1NC(=S)NCCSCc1cccc(Cl)c1 225298667 VEQFYGLSFWZCOG-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB Cc1cc(NC(=S)NCCOc2ccccc2Cl)ccc1Br 225779864 VBIYPAZBLXENDB-UHFFFAOYSA-N 399.741 4.776 0 40 GJAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCCCC1 225851367 RVUVHGUWVLGETA-UHFFFAOYSA-N 391.508 4.576 0 40 GJAB O=C(Cc1ccccn1)N1CCCC[C@H]1c1ccc(-c2cccc(F)c2)nc1 257235783 GZKDPKNOCWZRFF-QFIPXVFZSA-N 375.447 4.579 0 40 GJAB O=S(=O)(c1ccccc1)N(Cc1ccccc1Cl)c1ccccc1F 408623161 DLRFQAPXOMAPKE-UHFFFAOYSA-N 375.852 4.875 0 40 GJAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3)cc2Cl)CC1 408628442 TYNPAAYAWIYMFL-UHFFFAOYSA-N 387.936 4.703 0 40 GJAB COc1ccc([C@H]2C[C@@H]2[C@H](C)N[C@@H]2c3ccccc3CC23CCOCC3)cc1 582516994 QPPAQCVDBCCURY-QKBJRNKPSA-N 377.528 4.871 0 40 GJAB Cc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2cc(C)on2)cc1 585105699 DQPGJMQMKHVTFJ-UHFFFAOYSA-N 388.467 4.667 0 40 GJAB O=C(CCc1ccccc1Br)NCc1ccc(-c2ccoc2)cc1 618255814 JFZKXLGDYWQYRB-UHFFFAOYSA-N 384.273 4.958 0 40 GJAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3CCC23OCCO3)C1 2049238303 DPBGWNOQXKBDCB-PUONGMCYSA-N 376.537 4.704 0 40 GJAB CC(C)CCOC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 934524 FBSFLKMXPIXHMM-UHFFFAOYSA-N 390.277 4.904 0 40 GJAB O=C1C(Cl)=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccc(F)c(Cl)c1 956177 FDDICUCAYKNEJQ-UHFFFAOYSA-N 385.609 4.568 0 40 GJAB COc1ccc([C@H]2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1OC 1296297 SMCHVNBDEYDAJA-OAQYLSRUSA-N 386.451 4.788 0 40 GJAB COc1ccccc1CC(=O)N(CC(C)C)c1nnc(-c2ccc(C)cc2)s1 1356394 IQBQYOSZVPYWDK-UHFFFAOYSA-N 395.528 4.754 0 40 GJAB O=C1[C@@H]2CS[C@@H](c3ccc(F)cc3)N2C(=O)N1c1ccc(Cl)c(Cl)c1 1443300 PKNFFUZOOCPTJE-HOCLYGCPSA-N 397.258 4.715 0 40 GJAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCC(=O)OC(C)(C)C)cc12 1463696 IMKVLOXFMKROMI-UHFFFAOYSA-N 376.449 4.628 0 40 GJAB biogenic CCN(CC)CCC[C@@H](C)Nc1ncnc2c1[C@@H](c1ccccc1)C(C)(C)O2 1708596 PUPZSDCVJPVQTJ-YLJYHZDGSA-N 382.552 4.702 0 40 GJAB C=Cc1ccc(COc2ccc3c(C)c(CCC(=O)OCC)c(=O)oc3c2)cc1 2095445 NATCZIDISJVTRU-UHFFFAOYSA-N 392.451 4.819 0 40 GJAB biogenic Cn1nc(SCC(=O)N2c3ccccc3CCc3ccccc32)sc1=S 2365964 VCNCLXGVQJSTTM-UHFFFAOYSA-N 399.566 4.767 0 40 GJAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1Cl 2447505 AUAPLCSGFBVAPP-UHFFFAOYSA-N 393.299 4.520 0 40 GJAB C[C@H]1CCc2c(sc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)C1 2655630 SNMBMZLFDKOUQN-INIZCTEOSA-N 392.572 4.893 0 40 GJAB CCCCOc1ccc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)cc1 3250808 UKUXFNKMHJZCIX-UHFFFAOYSA-N 380.362 4.924 0 40 GJAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc2ccccn12)c1ccccc1 3316792 AEYFRRDRDUBOKQ-OAQYLSRUSA-N 384.464 4.927 0 40 GJAB COc1ccc(C(=O)COC(=O)c2sc3ccccc3c2Cl)c(OC)c1 3521266 UIKMGLIIZJZJQB-UHFFFAOYSA-N 390.844 4.612 0 40 GJAB CCc1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 4685327 NIXOYFGRMWEGRE-SJORKVTESA-N 388.302 4.876 0 40 GJAB COc1ccc2nc3sc(C(=O)N4c5ccccc5C[C@@H]4C)c(N)c3cc2c1 4848776 JPOBOLZLRCMERF-LBPRGKRZSA-N 389.480 4.632 0 40 GJAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C=C/c1cccc(Cl)c1 5018394 PNSAFPSIAFPWSP-VMJWZUHWSA-N 378.896 4.900 0 40 GJAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1C1CC1 5358692 OIKMAHBDXZGGOL-UHFFFAOYSA-N 385.514 4.845 0 40 GJAB CCOc1ccc(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)cc1 5606621 GUQBGWLZPMGLQI-UHFFFAOYSA-N 394.496 4.549 0 40 GJAB O=c1[nH]c2ccccc2n1CCCSc1nc2cc(Cl)ccc2s1 5776686 MGPJSBUTTFXVTC-UHFFFAOYSA-N 375.906 4.775 0 40 GJAB Cc1cccc(C)c1OCc1nnc(SC[C@@H]2CCCO2)n1-c1ccccc1 6980143 CXCKPBYQHJZFPR-IBGZPJMESA-N 395.528 4.734 0 40 GJAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cc(C)ccc2C)cc1 8476710 MFNASMSVJIBAOW-UHFFFAOYSA-N 388.515 4.922 0 40 GJAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(NC(C)C)s1 8855974 DMVWPYQCHUMJAA-CHWSQXEVSA-N 378.567 4.991 0 40 GJAB Cc1ccc(CN2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1 9063127 IHOSCNGVNADADB-UHFFFAOYSA-N 390.571 4.688 0 40 GJAB COc1ccc(NC(=O)Nc2nnc(SCc3ccccc3C)s2)cc1 9324040 DFOXSMOGLVWNET-UHFFFAOYSA-N 386.502 4.791 0 40 GJAB Cc1cc(CSCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)on1 9721646 BZXRILGWYUGAID-UHFFFAOYSA-N 398.328 4.893 0 40 GJAB Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 12787676 LXCDKFHDBHHDQU-GOSISDBHSA-N 388.467 4.504 0 40 GJAB CCCc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2Cl)sc1C 12999007 OTGQZDNKJYXHDJ-SNVBAGLBSA-N 383.872 4.986 0 40 GJAB COc1ccc(NC(=O)c2sc3c(c2C)[C@H](c2ccsc2)CC(=O)N3)cc1 15106593 UVNNFNYGPOBHSR-HNNXBMFYSA-N 398.509 4.853 0 40 GJAB CN(C)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C(C)(C)C)cc1 15859690 JDGBSQIYXSPADN-OAQYLSRUSA-N 391.515 4.672 0 40 GJAB Cc1ccc(-c2nc3n(c2CNC(=O)c2cccc(Cl)c2)CCS3)cc1 17051272 HMGFPUCCYYAGFW-UHFFFAOYSA-N 383.904 4.548 0 40 GJAB C[C@H](/N=c1\ccccn1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1 18155086 KXEUIJWKGSCQCR-MIIVRJSTSA-N 375.350 4.842 0 40 GJAB O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1Cc2cc(Cl)ccc2O1 18216740 BQRBMEFLENLPSS-INIZCTEOSA-N 377.918 4.761 0 40 GJAB COc1ccc(CN2CCC[C@H]2c2cc(CCOc3ccc(F)cc3)[nH]n2)cc1 19703654 CRGHLPDGCAXGOH-QHCPKHFHSA-N 395.478 4.516 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)ccc1Cl 20460362 WXBJYICQFWGWBC-MRXNPFEDSA-N 396.270 4.966 0 40 GJAB COc1ccc([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1OC 20486889 NXQVBMVPFMQZKC-KRWDZBQOSA-N 391.467 4.774 0 40 GJAB Cc1cc(O[C@H](C)C(=O)NCc2ccccc2-n2ccnc2C)cc(C)c1Cl 20491030 OWLKZICCUYNDIB-MRXNPFEDSA-N 397.906 4.535 0 40 GJAB COc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCC(C)CC2)cc1 22437081 ZFJBNRDWJUOPOI-UHFFFAOYSA-N 391.519 4.805 0 40 GJAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 25302105 AIADJPMYCPGYTO-SJCJKPOMSA-N 375.428 4.552 0 40 GJAB COCc1ccccc1CNC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 26389519 NGTKNWNXZLIUGJ-HXUWFJFHSA-N 384.476 4.622 0 40 GJAB O=C(Nc1cccc(CN2CCCCC2)c1)c1ccc(F)cc1Br 31620726 WHIACYXQDOJSRK-UHFFFAOYSA-N 391.284 4.826 0 40 GJAB Cc1ccc(NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 33326015 MUJPZGBJOCDXMN-SFHVURJKSA-N 393.512 4.687 0 40 GJAB Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 33705016 CVHLWHPHBCLQMC-UHFFFAOYSA-N 380.469 4.704 0 40 GJAB COc1ccc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(=O)oc2c1 33809407 LXCAEIWKNKTBKR-UHFFFAOYSA-N 399.446 4.644 0 40 GJAB CCCCN(C)C(=O)c1cc(CC)nc2c1c(C1CC1)nn2-c1ccccc1 36621678 IWNFXASUVSNASN-UHFFFAOYSA-N 376.504 4.732 0 40 GJAB O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1c1ccccc1 40024907 IWYBQDRJUIFGKD-QFIPXVFZSA-N 384.414 4.987 0 40 GJAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(C)c(C)c2)cc1OC 40039806 AWVHXBHPWNFQCH-HXUWFJFHSA-N 395.499 4.647 0 40 GJAB O=C1c2cccc3cccc(c23)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 40071813 FWNYJKXZSFUALS-GOSISDBHSA-N 392.458 4.969 0 40 GJAB COc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)cc1Cl 49004547 PQKPOFBQTRHTLP-UHFFFAOYSA-N 396.878 4.580 0 40 GJAB CCCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc(CC(C)C)s1 49549069 YJHLAAHYGWZJAC-UHFFFAOYSA-N 389.550 4.579 0 40 GJAB CCCc1cc(-c2nc(C)c(C(=O)Nc3cccc(NC(C)=O)c3)s2)ccn1 71284239 MGAVXMIMYGUFON-UHFFFAOYSA-N 394.500 4.677 0 40 GJAB Cc1ccc(F)cc1NC(=O)CSc1ncnc2c(-c3ccccc3)c[nH]c12 71328120 PBPKWEYIPFOEPN-UHFFFAOYSA-N 392.459 4.803 0 40 GJAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72214795 VWKYTUWAKXGQCP-INIZCTEOSA-N 391.512 4.915 0 40 GJAB COc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 72358389 ZQFYHGSCFLGARE-IBGZPJMESA-N 377.463 4.671 0 40 GJAB Cc1csc(SCC2CCN(C(=O)Cc3ccccc3Cl)CC2)n1 90608121 YIAZXWNYIVWCBL-UHFFFAOYSA-N 380.966 4.678 0 40 GJAB O=C(NCc1nc2ccccc2s1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 95469937 MQQUVYAUJJNQJV-OLZOCXBDSA-N 376.403 4.735 0 40 GJAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1 95482145 SDFZGNDXFZHOAE-MRXNPFEDSA-N 390.870 4.583 0 40 GJAB CCOc1cccc(CN2CCc3nc(-c4cccs4)ncc3C2)c1OCC 96125869 RZZAFXBTYNYMEM-UHFFFAOYSA-N 395.528 4.561 0 40 GJAB Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3cc(Cl)ccc3F)n2)cc1 98212195 QJWKYSWLLPHPCR-KRWDZBQOSA-N 385.826 4.815 0 40 GJAB COc1ccccc1NC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100846028 PFMKOYOWCGERCV-CXTCDGGRSA-N 378.310 4.758 0 40 GJAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@H]2c2ccccc2F)CCC1 102892917 JTTOFSCZFHLTGH-SFHVURJKSA-N 375.403 4.931 0 40 GJAB O=C1C[C@@H](c2c(-c3ccccc3)cc3ccccn23)C(=O)N1Cc1ccccc1 103228416 MKXBUPYHMYKLPI-QFIPXVFZSA-N 380.447 4.649 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219331077 IYPIBQUXWDOLOD-LEWJYISDSA-N 397.515 4.888 0 40 GJAB Cc1ccc(CSCCNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219851299 KMKPNWBGJFLSDQ-UHFFFAOYSA-N 382.573 4.569 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)c(C)c1 222799815 BLWFVNTVBJKQTM-PMACEKPBSA-N 396.947 4.827 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 222878429 GFNVZCHQMJXQFX-SFHVURJKSA-N 381.501 4.926 0 40 GJAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 223607379 MRDMHRGAGUSHJE-QHCPKHFHSA-N 394.559 4.570 0 40 GJAB COc1cccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)o2)c1 224851434 LXYNILPNQCKPGJ-AWEZNQCLSA-N 384.863 4.814 0 40 GJAB CCOC1(C(=O)Nc2ccc(O[C@H](C)COC)c(Cl)c2)CCC(C)CC1 225721751 JQNSVVDWZOEIEL-RDYUPDBUSA-N 383.916 4.678 0 40 GJAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(F)c(Cl)c1 225810871 RLIKWCYJGKFTRP-UHFFFAOYSA-N 380.206 4.754 0 40 GJAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCC2)ccc1O[C@H](C)CC 225829804 GXSJTVCYNSIXFC-MRXNPFEDSA-N 391.508 4.719 0 40 GJAB COc1cc(N)cc(Cl)c1NC(=O)c1cc(Br)ccc1Cl 227146859 OCYFJYAUTCCWMG-UHFFFAOYSA-N 390.064 4.599 0 40 GJAB Cc1scc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4ccccn4)o3)CC2)c1C 257251073 JPHHKVQSWGOYIV-WKILWMFISA-N 396.516 4.514 0 40 GJAB CC(C)(C)c1ccc(SCC(=O)NCc2cccc(-n3ccnc3)c2)cc1 523733627 HFSDKCUDMOABOG-UHFFFAOYSA-N 379.529 4.578 0 40 GJAB CC[C@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3cccc(OC)c3)ccc21 585105694 DLQADCHIHHBUBN-KRWDZBQOSA-N 379.500 4.803 0 40 GJAB COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Cc2cnccc2C)c1 613439311 XECOVPCVRMYGPD-UKILVPOCSA-N 386.495 4.699 0 40 GJAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 919598 FXBKHHKGZJDQCX-CZUORRHYSA-N 390.365 4.697 0 40 GJAB Cc1ccc(C(=O)Nc2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 1396494 UVOBIVKGBVSBNC-UHFFFAOYSA-N 387.266 4.764 0 40 GJAB CCN(CC)CCOC(=O)[C@H](Cc1ccco1)Cc1cccc2ccccc12 2187418 GEDFZLCVHFEVFH-NRFANRHFSA-N 379.500 4.719 0 40 GJAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2nc3ccccc3s2)c1 2468185 HYYPASYSEWWZAR-UHFFFAOYSA-N 394.525 4.830 0 40 GJAB CN(C(=O)COC(=O)/C(=C/c1cccs1)c1cccs1)c1ccccc1 3350043 JHPDIYYHZVAORX-GHRIWEEISA-N 383.494 4.556 0 40 GJAB COc1ccc(CNCC[C@@]2(c3ccccc3OC)CCO[C@H](C(C)C)C2)cc1 4073328 ZARVEZQRYMEMMI-LOSJGSFVSA-N 397.559 4.957 0 40 GJAB biogenic O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CCCCC2)cc1 4703942 QTHCPKFUACOBGB-AWNIVKPZSA-N 399.947 4.857 0 40 GJAB CCCCn1nc(C)c(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1Cl 6604642 RQYULYYDKVVDSG-QGZVFWFLSA-N 387.915 4.648 0 40 GJAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)c1 6609612 LREXBZMTIIUKJH-UHFFFAOYSA-N 375.424 4.891 0 40 GJAB COc1ccc(NC(=O)Cc2c(C)c3c(cc(C)c4c(C)coc43)oc2=O)cc1 6623921 STDOZXRGBBNEHQ-UHFFFAOYSA-N 391.423 4.654 0 40 GJAB biogenic CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Cc1ccccc1F 8132450 UXHHRVAUQQRVCD-UHFFFAOYSA-N 387.842 4.509 0 40 GJAB C[C@@H](NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C(=O)N1CCCC1 8278693 GGUQUFMJOJZONL-VQIMIIECSA-N 395.934 4.554 0 40 GJAB O=C(COc1ccc(Cl)cc1)NCc1ccc(-c2nc3ccccc3o2)cc1 9226462 PQEGPNDIARXDCP-UHFFFAOYSA-N 392.842 4.843 0 40 GJAB Cc1c(C(=O)CSc2nnc(NCc3ccco3)s2)oc2ccccc12 9593415 CPXWFGRZLGGURF-UHFFFAOYSA-N 385.470 4.773 0 40 GJAB Cc1nc2cc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)ccc2o1 9709902 NQFMOILOEFITFC-UHFFFAOYSA-N 390.418 4.592 0 40 GJAB Cc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1C 10213733 KLWIWXQMFZAJEE-UHFFFAOYSA-N 378.455 4.715 0 40 GJAB Cc1cc(F)ccc1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 10236967 OMQLJVJPQOODTQ-UHFFFAOYSA-N 383.423 4.831 0 40 GJAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 10898534 ZUJMEJVHSDYDBT-UHFFFAOYSA-N 394.525 4.638 0 40 GJAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)Nc1ccncc1 12322005 AUZYSLDLBHRXNT-UHFFFAOYSA-N 379.363 4.664 0 40 GJAB O=C(NCc1nc2ccccc2n1Cc1cccc(Cl)c1)c1ccccc1 12602677 AGFNYMGTPGEBBI-UHFFFAOYSA-N 375.859 4.668 0 40 GJAB CSc1nc(-c2ccco2)nc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(C)cc1 12907993 KPZLEBNRIYXRCR-AWEZNQCLSA-N 396.468 4.504 0 40 GJAB CC1=Nc2c(c(C)nn2-c2ccc(F)cc2)[C@@H](c2ccc(C(=O)O)cc2)S1 15107534 AWYOCMWRIHVDKF-GOSISDBHSA-N 381.432 4.904 0 40 GJAB Cc1cccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3CCCc3ccccc3)n2)c1 15675612 AJCDASYJQJDELA-QFIPXVFZSA-N 399.498 4.500 0 40 GJAB biogenic,in-vitro O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2cccc(Cl)c2Cl)o1 20140149 XKTTWAJLUHFAJL-UHFFFAOYSA-N 392.194 4.910 0 40 GJAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)c1 20456822 TXRNNPXKHHGZBF-SNVBAGLBSA-N 384.657 4.517 0 40 GJAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1Cc1nc2ccccc2o1 26603770 BLFZBSMKTQXZKF-MRXNPFEDSA-N 390.270 4.738 0 40 GJAB O=C(Nc1ccccc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(Cl)cc1 28526976 QIANUDADWJULCZ-UHFFFAOYSA-N 395.894 4.897 0 40 GJAB CCOCc1ccccc1CNC(=O)c1cc(-c2ccncc2)nc2ccccc12 30179389 KZJOLMWCPZEQPE-UHFFFAOYSA-N 397.478 4.763 0 40 GJAB O=C(CCCc1cccs1)Nc1ccc(OC(F)F)cc1OC(F)F 36392069 NZMVCBAIBGJSLJ-UHFFFAOYSA-N 377.359 4.912 0 40 GJAB Cc1cccc(OCC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 36393408 XGPWFCYCFCFDSC-SFHVURJKSA-N 388.467 4.504 0 40 GJAB O=C(Nc1ccccc1F)c1ccc2c(c1)C[C@H](c1ccc(F)cc1)OC2=O 36635956 ORNJFCFFVIWUIY-HXUWFJFHSA-N 379.362 4.671 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 36700078 LHAWJRCNPJYNDB-GOSISDBHSA-N 388.920 4.714 0 40 GJAB CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(OC(F)F)cc1 40103184 DYMDTZCGOCMQAC-UHFFFAOYSA-N 385.208 4.714 0 40 GJAB Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 44912280 NCZPHFVZCDXRIM-GOSISDBHSA-N 391.342 4.830 0 40 GJAB Cc1cc([C@@H](C)NC(=O)Nc2cc(N3CCCC3=O)ccc2F)c(C)s1 48145937 GFIYCCBBLAVPLD-GFCCVEGCSA-N 375.469 4.514 0 40 GJAB COc1cccc2c1ccn2CCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 49543413 PWSAWLJUJPHCDP-UHFFFAOYSA-N 395.890 4.534 0 40 GJAB biogenic C[C@H](NC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1)c1cccc(Cl)c1 65512919 KUXHNVAXYDHVJN-AWEZNQCLSA-N 394.862 4.870 0 40 GJAB Clc1ccc(-c2cc3c(N4CCC(N5CCCCC5)CC4)nccn3n2)cc1 67284750 KWZSNXJERSIBOM-UHFFFAOYSA-N 395.938 4.504 0 40 GJAB CCN(CC(=O)NCc1cccc(COCc2ccccc2)c1)c1ccccc1 71812696 MHSGRCOAAPNAIV-UHFFFAOYSA-N 388.511 4.546 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72348676 UJCDJZAGXLWRRE-UHFFFAOYSA-N 392.449 4.970 0 40 GJAB CCc1oc2ccccc2c1/C=C/C(=O)N[C@@H](C)c1ccc([S@@](C)=O)cc1 89280216 GLCVKXPRZOCQAN-FSIBJUQCSA-N 381.497 4.623 0 40 GJAB CC(C)[C@H](NC(=O)CC1(n2cccc2)CCCCC1)c1nc2ccccc2[nH]1 96118583 DKGYMXYRTHIBCT-NRFANRHFSA-N 378.520 4.927 0 40 GJAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718337 ZENFGGOOGWCIHO-ZDUSSCGKSA-N 377.271 4.547 0 40 GJAB C[C@@H](OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1nnc(-c2ccccc2)o1 108948081 WEMHSHQKJFTFHN-WSACYYNKSA-N 386.879 4.919 0 40 GJAB COc1ccc(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1OC 206992234 FHAPJXXOGLPIOT-LJQANCHMSA-N 391.920 4.678 0 40 GJAB C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 222742706 NOBPRSBCRONZND-GFCCVEGCSA-N 380.271 4.575 0 40 GJAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224406343 FEBKDWZYTJDPQS-PMACEKPBSA-N 380.492 4.780 0 40 GJAB O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 224480290 PRONVIAZTZIIBL-UHFFFAOYSA-N 387.888 4.653 0 40 GJAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)c(C)c1 224913749 BQXBQRYYZJOTGE-VQTJNVASSA-N 380.492 4.528 0 40 GJAB CC(C)(C)c1ccc(-c2noc(CNC(=O)CCc3ccc(Cl)cc3)n2)cc1 225312411 LBIASYFNGLILGL-UHFFFAOYSA-N 397.906 4.937 0 40 GJAB Fc1cc(Br)ccc1NC(=S)NCCSC1CCCCC1 225358127 DCGGLBVFAPVARA-UHFFFAOYSA-N 391.375 4.941 0 40 GJAB CN(C)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225547720 NTKLWVFLBFDQAG-UHFFFAOYSA-N 384.495 4.607 0 40 GJAB COC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc2)CC1 239612039 FIGSKCCDUXJKPG-UHFFFAOYSA-N 398.506 5.125 0 40 GJAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c1 244217005 VXOOVAYTMIJDIB-UHFFFAOYSA-N 378.516 4.783 0 40 GJAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC5(CC[C@]4(C)[C@@H]3CC[C@@]12C)OCCO5 253595625 GSSIBIORSPCRIO-PFUFYFGGSA-N 376.537 4.704 0 40 GJAB CC(=O)N[C@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(C(=O)O)cc2)C1 257239378 HPBBATBROPRTHC-DYXWJJEUSA-N 387.863 4.526 0 40 GJAB COc1ccc(-c2ccc(OC(=O)c3cccc4ccccc34)nn2)cc1OC 408533433 QXWWODRFNKFVOG-UHFFFAOYSA-N 386.407 4.533 0 40 GJAB COc1ccc(-c2nnc(SC(=O)c3ccc4ccccc4c3)o2)c(OC)c1 408656878 HSYVBMNWPYIASI-UHFFFAOYSA-N 392.436 4.840 0 40 GJAB O=C(CCCOc1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1 408705988 SERIKFPXHVWCEG-UHFFFAOYSA-N 380.488 4.501 0 40 GJAB Cn1cc(CNC(=O)Nc2ccc(Oc3cccnc3)cc2)c(-c2ccccc2)n1 516891506 LQSXUEBGDMJKRN-UHFFFAOYSA-N 399.454 4.596 0 40 GJAB Cc1nc(-c2ccccc2NC(=O)N[C@H]2CCO[C@@H](c3cccnc3)C2)cs1 653063229 OZTPEZHVFYZHOI-OXJNMPFZSA-N 394.500 4.555 0 40 GJAB O=C1CCC2(CCC(NCc3ccc(F)c(F)c3)CC2)N1Cc1ccccc1 2055819303 QLKSOHMBRABYRV-UHFFFAOYSA-N 384.470 4.558 0 40 GJAB CCOC(=O)c1c(NC(=O)Cc2c(F)cccc2Cl)sc2c1CCCC2 648107 ZJNBCBFEOPPBED-UHFFFAOYSA-N 395.883 4.777 0 40 GJAB Cc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 664124 KMKBFKGGURNCOQ-UHFFFAOYSA-N 393.299 4.613 0 40 GJAB CCOCN(C(=O)CSc1nc2ccccc2[nH]1)c1c(C)cccc1CC 1926979 UOASLCWYDNAUQO-UHFFFAOYSA-N 383.517 4.553 0 40 GJAB CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(C)c3)c(C)c2oc1=O 2147505 BWXQXEPSJPUYTP-UHFFFAOYSA-N 394.467 4.793 0 40 GJAB biogenic O=C(NCCSCc1c(F)cccc1Cl)NC(Cl)=C(Cl)Cl 2556011 XYJCJGXFVAXJIB-UHFFFAOYSA-N 392.110 4.855 0 40 GJAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3nccs3)cc12 2660841 XHWCPDYZRFBBQZ-UHFFFAOYSA-N 388.905 4.817 0 40 GJAB O=C(NC(=S)Nc1nc(-c2cc3ccccc3o2)cs1)c1cccs1 3207344 ZYJKYDOYDVQJOY-UHFFFAOYSA-N 385.495 4.745 0 40 GJAB CC[C@@H](C)NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3393408 HGIVZWWGBKETKC-CQSZACIVSA-N 396.874 4.627 0 40 GJAB CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CCOC3=O)n2C2CCCC2)cc1 3481129 GVVWHOYMKXDSAP-QGZVFWFLSA-N 385.533 4.765 0 40 GJAB CCOc1ccc(CCNc2ncnc3c2oc2ccccc23)cc1OCC 4686846 ARIGZDJWADFQTP-UHFFFAOYSA-N 377.444 4.828 0 40 GJAB Fc1ccccc1-c1nnc(SCc2nc(-c3ccccc3)no2)n1C1CC1 5333877 HDXNCYMBZOGJMG-UHFFFAOYSA-N 393.447 4.761 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1Cl 5478313 KVXRMRLQQOEPPZ-UHFFFAOYSA-N 386.908 4.658 0 40 GJAB COc1ccc(C)cc1NC(=O)c1cccnc1-c1nc2ccccc2s1 5483555 GLTKNQBAGOWUQP-UHFFFAOYSA-N 375.453 4.928 0 40 GJAB COc1ccc(C)cc1-n1c(S[C@@H]2CCCCC2=O)nnc1-c1cccs1 6266786 OXBRXSXEHNBRGC-QGZVFWFLSA-N 399.541 4.917 0 40 GJAB CC(=O)c1cccc(NC(=O)Nc2ccn(Cc3cccc4ccccc34)n2)c1 6297790 OLFKHJZQWCCQEW-UHFFFAOYSA-N 384.439 4.931 0 40 GJAB CCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 6348855 YBOQJNTZHNKYFT-UHFFFAOYSA-N 375.906 4.840 0 40 GJAB CC1(C)C[C@](CCNC[C@H]2CCCO2)(c2cccc(C(F)(F)F)c2)CCO1 6668935 HXJJJRCIZANMKF-UYAOXDASSA-N 385.470 4.691 0 40 GJAB Cc1ccc(C)c(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 7929492 CXZRLAPTOZRSDX-ZDUSSCGKSA-N 378.255 4.569 0 40 GJAB C[C@H](Oc1ccc(-c2nc3ccccc3s2)cc1)C(=O)NCc1ccco1 8156767 ZDMLIQKQEFVSIP-AWEZNQCLSA-N 378.453 4.640 0 40 GJAB CCOc1cc(CNCCOC)ccc1OCc1ccc(Cl)cc1Cl 8254582 DBHHECONLZCRGU-UHFFFAOYSA-N 384.303 4.707 0 40 GJAB COC(=O)CCS[C@H]1c2ccccc2C(=O)N1[C@@H]1CCCc2ccccc21 8984867 LYOYVIFVFMGDFZ-KNQAVFIVSA-N 381.497 4.515 0 40 GJAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccnc2)c(C)c1 9427315 IAWGLUNTYDGRKE-UHFFFAOYSA-N 397.478 4.695 0 40 GJAB Cc1cc(CSc2nnc(COc3ccccc3C)n2-c2ccccc2)on1 9595202 OKKADNOARZZISA-UHFFFAOYSA-N 392.484 4.743 0 40 GJAB CCc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 9762715 REUAOKWVADUXGX-UHFFFAOYSA-N 387.892 4.992 0 40 GJAB CCc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)s1 10579289 KLXITJAQGRQLPY-UHFFFAOYSA-N 376.433 4.562 0 40 GJAB CCOc1ccccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2CC 11466969 CTVVRVFSGIKPSF-UHFFFAOYSA-N 392.484 4.831 0 40 GJAB CCc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc4nccnc4c3)C2)cc1 12420955 QCCBYUBBOXEWPX-QFIPXVFZSA-N 396.450 4.777 0 40 GJAB COc1ccccc1CNC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 12765079 BJCVBQNGOPZPJO-UHFFFAOYSA-N 397.478 4.537 0 40 GJAB Oc1ccc(C2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)cc1 12769146 ZIVIGJYSSYBYMD-UHFFFAOYSA-N 382.467 4.781 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)Cc1csc(NC(=O)C2CC2)n1 12875826 PCWHUJDMZNKODT-UHFFFAOYSA-N 385.533 4.920 0 40 GJAB O=S(=O)(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccccc1Cl 12878975 MAQCAHZGTIOGRX-QGZVFWFLSA-N 381.881 4.609 0 40 GJAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 13673394 WKILMXLQDSHLIU-IBGZPJMESA-N 382.507 4.836 0 40 GJAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3C)cc2)cc1 13899868 OFODAUWUKHJSQN-UHFFFAOYSA-N 388.419 4.562 0 40 GJAB COc1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 15581257 GEVIYNFSQBRCTP-UHFFFAOYSA-N 387.458 4.977 0 40 GJAB CCOC(=O)/C(=C\c1cccc(C(F)(F)F)c1)P(=O)(OCC)OCC 17920861 MEDXYYIKJQZTTB-SDNWHVSQSA-N 380.299 4.876 0 40 GJAB O=C(N[C@H](C[C@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1)C1CCC1 19400915 WVOHRVSCLILPLB-FYYLOGMGSA-N 395.522 4.623 0 40 GJAB Cc1ccc(-c2noc(-c3nnn(-c4cccc(C(F)(F)F)c4)c3C)n2)cc1 20582197 XXVVUMXKFDQPPG-UHFFFAOYSA-N 385.349 4.620 0 40 GJAB CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(-c5ccccc5)nc4nc3C2)cc1 20671772 WEPLJMJJHWIUQH-LJQANCHMSA-N 382.467 4.827 0 40 GJAB COc1ccc(C)cc1CN(C)C(=O)c1cc(Br)ccc1Cl 21557637 GCDXGRPXHTZBNV-UHFFFAOYSA-N 382.685 4.692 0 40 GJAB CCOc1cccc(CN[C@H](C)[C@H](O)c2ccccc2)c1OCc1ccccc1 22076889 FIDVHXZAKYEHDZ-DVECYGJZSA-N 391.511 4.876 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CCN1CCN(Cc2ccco2)CC1 22912477 MKVIDYLDRDWNRO-UHFFFAOYSA-N 397.563 4.673 0 40 GJAB C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(-c2ccccc2)cc1 22980487 YPBWEPSIRHJJBK-IBGZPJMESA-N 398.506 4.967 0 40 GJAB CCc1c(C(=O)N(C)Cc2ccc(Cl)s2)cnn1-c1ccc(F)cc1 24674330 QYQINTUQNPGKBH-UHFFFAOYSA-N 377.872 4.561 0 40 GJAB CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc21 36614351 ISWWVYSAVQZWCX-UHFFFAOYSA-N 385.798 4.813 0 40 GJAB O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2ncsc2c1 38735868 YSWAOTYOFSYJRF-UHFFFAOYSA-N 378.482 4.518 0 40 GJAB CC(=O)c1c(F)cccc1-n1cc[n+](CCCOc2ccc(C(C)(C)C)cc2)c1 44800485 RTSAELKDYOJMBP-UHFFFAOYSA-N 395.498 4.873 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875325 UZROWMDZQHYKIT-XMMPIXPASA-N 394.559 4.763 0 40 GJAB C[C@@H](CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc(C(F)(F)F)cc1 57388926 PEFIQWYIMCFJGV-VIFPVBQESA-N 392.299 4.545 0 40 GJAB O=C(Nc1cccc(Br)c1)c1cc(-c2cccc(Cl)c2)[nH]n1 57412606 HVVBARJOKJHOAP-UHFFFAOYSA-N 376.641 4.745 0 40 GJAB COc1ccc(CCCNC(=O)CCc2ccc(Cl)cc2Cl)cc1OC 65091129 CCKPVXBTNCVUJQ-UHFFFAOYSA-N 396.314 4.692 0 40 GJAB O=S(=O)(N=[S@](=O)(c1ccccc1)[C@H](F)c1ccccc1)c1ccccc1 71256995 WPXCCKAGGLDZDC-DFBJGRDBSA-N 389.473 4.571 0 40 GJAB Cc1sc(CCNC(=O)Cc2c(F)cccc2Cl)nc1-c1ccccc1 78878743 VNASIICGOOCHFS-UHFFFAOYSA-N 388.895 4.812 0 40 GJAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1-n1nc(C)nc1C 84777485 URHATVDOWHDOIV-UHFFFAOYSA-N 389.912 4.653 0 40 GJAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@@H]3c1ccc(OCC(C)C)cc1 96221356 IKLUNDMSUKIBID-GOSISDBHSA-N 378.424 4.577 0 40 GJAB biogenic Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 107334522 SNYULNZETYBDOA-YESZJQIVSA-N 389.902 4.588 0 40 GJAB CCCC[Sn](CCCC)(CCCC)c1ccnc(N)c1 200052761 ZHGPSOFJSHCHMZ-UHFFFAOYSA-N 383.168 4.720 0 40 GJAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1nc(-c2ccccc2Cl)no1 219300419 HKDDVBNTTPTLBZ-CQSZACIVSA-N 399.878 4.597 0 40 GJAB COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2ccccc2F)cc1 222710124 PNROJXVFHUSEQQ-HXUWFJFHSA-N 375.509 4.971 0 40 GJAB O=C(COc1cccc(Cl)c1)NCCSCc1c(F)cccc1Cl 222765673 CXOMONCCGAUZKI-UHFFFAOYSA-N 388.291 4.561 0 40 GJAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 222905162 LWWSWOPXAUEFSV-HUUCEWRRSA-N 396.379 4.534 0 40 GJAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 223029780 SWDUKKHDWYSVGV-IBGZPJMESA-N 386.879 4.571 0 40 GJAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccccc1F 223162858 FZXDHWCAYSDQJT-MRXNPFEDSA-N 387.520 4.521 0 40 GJAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1Cl 224973757 ACVMQUCEBDYDRD-OALUTQOASA-N 398.919 4.557 0 40 GJAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCCC[C@H]1CC 260457994 HIKUCQBJKAFRKW-GGAORHGYSA-N 382.548 4.768 0 40 GJAB COc1cc(NC(=O)c2ccc(C)c(C)c2)ccc1NC(=O)c1cccs1 408622006 PAAFBJXOAJZQKY-UHFFFAOYSA-N 380.469 4.878 0 40 GJAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1ccccc1Br 618257411 XDSQUZLCZTXWCL-AWEZNQCLSA-N 376.275 4.666 0 40 GJAB Cc1nc(-c2ccc(Br)cc2Cl)nn1Cc1cc(C2CC2)no1 657249569 NXTUBSWQZBXHKH-UHFFFAOYSA-N 393.672 4.583 0 40 GJAB O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(C(F)(F)C(F)(F)F)cc1 1534766261 OLXWJWBDDJDUTF-DZGCQCFKSA-N 389.295 4.542 0 40 GJAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@@H](c3ccc(Cl)cc3)C2=C1O 1547208599 TYQVGXNVWFSRCN-GOSISDBHSA-N 377.831 4.671 0 40 GJAB Cc1ccc(C)c(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)c1 853643 RQSNHHDTTITRNL-UHFFFAOYSA-N 383.542 4.918 0 40 GJAB CCOc1ccc([C@@H]2CC(=O)n3nc(-c4ccc(Cl)cc4)nc3S2)cc1 935561 HXRBLWYZNOTJLB-INIZCTEOSA-N 385.876 4.875 0 40 GJAB Cc1c(NC(=O)N(c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 1154789 JPWMMFOBHNJKJI-UHFFFAOYSA-N 398.466 4.855 0 40 GJAB COc1cc(-c2cc(=O)c3cc(Cl)cc(Cl)c3o2)cc(OC)c1OC 1662056 RPUZWUKUFPGOMI-UHFFFAOYSA-N 381.211 4.793 0 40 GJAB biogenic Cn1c(CCN2CCCCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21 2438227 HHENTDNXFRRYNC-UHFFFAOYSA-N 391.519 4.636 0 40 GJAB aggregator COc1ccc(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 2446209 BXHCDAYXTNFLPJ-UHFFFAOYSA-N 395.528 4.763 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1OC 2621999 REVCZDDCNVRBIX-UHFFFAOYSA-N 377.440 4.556 0 40 GJAB Brc1ccccc1-c1nnc(-c2ccccc2Br)o1 3124161 FRYDBJOVRRDXQW-UHFFFAOYSA-N 380.039 4.929 0 40 GJAB biogenic O=C(CSc1nnc(-c2ccco2)o1)Nc1cccc(Oc2ccccc2)c1 3407810 GZQKMNGAJMBNOC-UHFFFAOYSA-N 393.424 4.853 0 40 GJAB COc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c(OC)c1 4330930 NJMCRKLHYOAESC-UHFFFAOYSA-N 383.256 4.873 0 40 GJAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCCO2 4503008 ZJAASRXULCVPAD-UHFFFAOYSA-N 384.284 4.637 0 40 GJAB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 4505341 WWSARTDSAOIXKL-ZDUSSCGKSA-N 392.858 4.509 0 40 GJAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCc2ccccc2)cc1 4595276 DRFYLDIPYBOJTG-UHFFFAOYSA-N 394.452 4.688 0 40 GJAB CCOC(=O)c1[nH]c2cc(Br)c(OCc3ccccc3)cc2c1C 4727870 JSZVHXFOANREEL-UHFFFAOYSA-N 388.261 4.995 0 40 GJAB N=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)S1 4834932 USAXCZRXYYYYLK-VGOFMYFVSA-N 397.258 4.850 0 40 GJAB Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1F 5358863 LDWLPSFFFPXXFF-UHFFFAOYSA-N 388.493 4.520 0 40 GJAB C[C@H](Oc1ccccc1)c1nc2ccccc2n1CC(=O)N1CCc2ccccc21 5694683 BYCJNVDMIYSIGU-SFHVURJKSA-N 397.478 4.766 0 40 GJAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Cl)ccc1OC 6243405 ACBMBXVKQSYNRB-LBPRGKRZSA-N 376.909 4.989 0 40 GJAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 6295975 XSOLAVNTKWHWDX-YVLHZVERSA-N 386.860 4.535 0 40 GJAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc(Br)cc1 6337097 CHAFZALRVKQFTA-LCYFTJDESA-N 387.302 4.782 0 40 GJAB CCOC(=O)c1ccccc1NC(=O)COc1ccccc1-c1ccccc1 6545754 JALDJSJUCLFSFK-UHFFFAOYSA-N 375.424 4.548 0 40 GJAB COC(=O)c1c(NC(=O)Cc2coc3cc(C)cc(C)c23)sc(C(C)=O)c1C 6809835 FJFUGXXQNVJXOW-UHFFFAOYSA-N 399.468 4.590 0 40 GJAB COc1ccc(Br)cc1CSc1nnc(C2CC2)n1C1CC1 7550777 CPHDXVSVXWKCBI-UHFFFAOYSA-N 380.311 4.554 0 40 GJAB O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCC(Cc2ccccc2)CC1 7947548 KPPDFLAYQAOGBO-UHFFFAOYSA-N 396.918 4.562 0 40 GJAB O=C(CCc1nc2ccccc2s1)N1CCC(c2nc3ccccc3o2)CC1 8156291 GYCHHODSXCODCX-UHFFFAOYSA-N 391.496 4.776 0 40 GJAB O=C(NCCCn1ccc2ccccc21)c1cc(C2CC2)nn1-c1ccccc1 8192427 JEDKJZPXFLYZRG-UHFFFAOYSA-N 384.483 4.525 0 40 GJAB Clc1ccccc1-c1nnc(SCc2ccno2)n1Cc1ccccc1 8767425 PLOPPJBBXIDECB-UHFFFAOYSA-N 382.876 4.927 0 40 GJAB Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)N1CCC(C)CC1 8771693 ANCVAPOIGDPSAW-UHFFFAOYSA-N 392.912 4.621 0 40 GJAB COc1cc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccccc2Cl)ccc1O 9481250 GJUWSXWDWYFQBM-CYBMUJFWSA-N 383.835 4.672 0 40 GJAB CC[C@H](NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)c1ccc(OC)cc1 9793273 RLDMYCWVESQPHQ-UGKGYDQZSA-N 398.503 4.614 0 40 GJAB Cc1nn(C)c2sc(C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)cc12 9900783 NCCYEFYAHKMWLG-KRWDZBQOSA-N 385.489 4.663 0 40 GJAB CCCOc1c(CN2[C@H]3CC[C@@H]2CC(O)(c2ccc(F)cc2)C3)cccc1OC 12238107 MMLGORPRSIBPGY-SVGJNIJCSA-N 399.506 4.638 0 40 GJAB C/C=C/c1ccc(OCC(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)c(OC)c1 12928668 CSOBIBKWIRJSQR-YVZNUBBCSA-N 388.847 4.575 0 40 GJAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Br)c(C)c1 14396853 OTKQOTYHPRQIJA-KRWDZBQOSA-N 378.266 4.562 0 40 GJAB Cc1cc(=O)oc2cc(NC(=O)COc3ccccc3-c3ccccc3)ccc12 14722610 IISSUCUYBOOWAS-UHFFFAOYSA-N 385.419 4.786 0 40 GJAB C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O 15449358 UDKABVSQKJNZBH-BQSLHRHNSA-N 396.527 4.741 0 40 GJAB COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 16042922 XOZQFEQVRDICDF-KGLROXSOSA-N 393.527 4.782 0 40 GJAB CCc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1 20197100 PRKZEFUEAHXTRQ-UHFFFAOYSA-N 387.892 4.607 0 40 GJAB CC[C@@H](C(=O)Nc1nc(CN2CCc3ccccc3C2)cs1)c1ccccc1 21681472 BCAALMOJPCUHAS-OAQYLSRUSA-N 391.540 4.834 0 40 GJAB CCn1ncc2c(C(=O)OCc3ccc(Cl)nc3)cc(-c3ccccc3)nc21 22748222 IKPZAWQRFCQVFQ-UHFFFAOYSA-N 392.846 4.524 0 40 GJAB O=C(NC1CC1)c1cc(Oc2ccc(Br)cc2)nc2ccccc12 25066863 AUORJYOIZFWHHP-UHFFFAOYSA-N 383.245 4.682 0 40 GJAB Cc1sc2nc(NCc3ccco3)n3nc(Cc4ccccc4)nc3c2c1C 32095648 UOJQQNIBGAUUMD-UHFFFAOYSA-N 389.484 4.752 0 40 GJAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1OC 32115042 KATHLEHRSRZCHN-UHFFFAOYSA-N 384.476 4.863 0 40 GJAB Cc1ccc2c(COC(=O)c3cccnc3Oc3ccccc3)cc(=O)oc2c1 32666171 YWVVTQKHZHUMFT-UHFFFAOYSA-N 387.391 4.646 0 40 GJAB C[C@H](Oc1ccccc1)C(=O)N[C@H](COc1ccccc1F)c1ccccc1 32936646 IJDBDGOBBFCPNZ-LAUBAEHRSA-N 379.431 4.530 0 40 GJAB COc1ccc(-c2noc(CSc3nccn3-c3ccc(C)cc3)n2)cc1 33278091 OGGORIUYASXOIC-UHFFFAOYSA-N 378.457 4.532 0 40 GJAB Cc1cc(C)n(CCN(C(=O)c2cccs2)c2nc3ccccc3s2)n1 35597604 POJKADIOFLROND-UHFFFAOYSA-N 382.514 4.518 0 40 GJAB CC(C)c1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)nn1C(C)(C)C 44467351 ZJPDJANTOPDPHY-UHFFFAOYSA-N 393.535 4.658 0 40 GJAB Cc1cc2ncn(C[C@@H](O)CSc3ncc(-c4ccc(F)cc4)o3)c2cc1C 64032596 LZQYSQWAOGURIW-QGZVFWFLSA-N 397.475 4.600 0 40 GJAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccco1 68732090 QPGBJIIHSOGUOC-UHFFFAOYSA-N 385.392 4.548 0 40 GJAB C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1nc(C(C)(C)C)no1 72303574 ODYPZHDMHHBVDN-INIZCTEOSA-N 377.488 4.643 0 40 GJAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(F)c(F)c(F)c1F 84243876 WTUZQJMFISRGTD-UHFFFAOYSA-N 388.364 4.789 0 40 GJAB O=C(NCc1ncc(-c2ccccc2)o1)N1CCCCC[C@H]1c1ccncc1 84563034 AZOUZJKKGGFWQV-IBGZPJMESA-N 376.460 4.564 0 40 GJAB CCOc1cc(CO)cc(Br)c1OCc1c(F)cccc1Cl 95095026 RGHNMEHWUGENOG-UHFFFAOYSA-N 389.648 4.712 0 40 GJAB COc1cc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)ccc1O 96767491 IALWRZFBZZBFFM-LKKYZFDUSA-N 375.424 4.770 0 40 GJAB COc1ccc(CCC(=O)N2[C@H]3C=CC[C@H]2CC3)cc1OCc1ccccc1 208018462 IUFUUMFVSBNUAE-SFTDATJTSA-N 377.484 4.526 0 40 GJAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCC 223056706 TXOMIAKYPHTSHY-QHCPKHFHSA-N 394.559 4.733 0 40 GJAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSc1ccccc1 223134007 KWRDUVQNXMOEKW-FQEVSTJZSA-N 398.572 4.501 0 40 GJAB CC(C)CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223488237 QLPYJDSLXSVQMP-QFIPXVFZSA-N 398.522 4.714 0 40 GJAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)cc1 224107584 HBNYLGJGXKMFCR-UHFFFAOYSA-N 391.467 4.521 0 40 GJAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)s1 225443032 XTWCVNPUNHDEQZ-MRXNPFEDSA-N 391.562 4.715 0 40 GJAB CCCO[C@]1(C(=O)Nc2ccc(OCCN(CC)CC)cc2)CCC[C@@H](C)C1 225662543 WNNOTGYNUGVOHG-AUSIDOKSSA-N 390.568 4.721 0 40 GJAB CCOc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 225687301 PFYKMRYIULKZQM-GOSISDBHSA-N 386.517 4.683 0 40 GJAB CC(C)Oc1ccc(NC(=O)C2(NC(=O)c3cccs3)CC2)c2ccccc12 225929954 NNNSHJUNCLNNRF-UHFFFAOYSA-N 394.496 4.590 0 40 GJAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC2CC2)[C@@H]1c1cccs1 257173184 FXHSLAOXBRJLMT-SFTDATJTSA-N 396.556 4.601 0 40 GJAB O=C(NCC1CCCCC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257292315 QKXUXMLWNFYFKE-UHFFFAOYSA-N 392.543 4.784 0 40 GJAB Cc1cccnc1C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257333116 YAFMCTUYKYMJIJ-GOSISDBHSA-N 381.863 4.600 0 40 GJAB CCn1cc(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2cc(C)ccc21 408713351 UVMBFZILHKNCGF-UHFFFAOYSA-N 375.255 4.889 0 40 GJAB COc1cccc2cc(C(=O)NC[C@H](O)c3ccc(-c4ccsc4)cc3)oc12 575610940 RHNSFNCDAGSEOG-SFHVURJKSA-N 393.464 4.633 0 40 GJAB Cc1nc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)c(C)s1 1615153429 CWERRBIFMYRFRD-NRFANRHFSA-N 387.524 4.563 0 40 GJAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Br)cc1 811297 CEZDQKAVBANDMG-UHFFFAOYSA-N 380.241 4.932 0 40 GJAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)cc1Cl 1634432 JKOLYFQYUYNLGQ-UHFFFAOYSA-N 394.283 4.698 0 40 GJAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(CCc1ccccc1)C3=O 2390464 ZPIDBNTUENHLCJ-HSZRJFAPSA-N 395.458 4.889 0 40 GJAB Cc1ccccc1-n1c(SCCOc2ccccc2)nc2ccccc2c1=O 2421354 PGNYLZFPDZUKMF-UHFFFAOYSA-N 388.492 4.865 0 40 GJAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2ccc(Br)cc2)cc1 2622894 IFZLQBQUCZEIST-NSHDSACASA-N 378.291 4.771 0 40 GJAB CC(=O)c1cccc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)c1 3218247 NKIHSKYTZJIYSI-UHFFFAOYSA-N 387.844 4.553 0 40 GJAB Fc1ccc([C@@H]2c3[nH]cnc3CCN2C(=S)Nc2ccc(Cl)cc2)cc1 4033736 DRLLZVBXNDOCNN-GOSISDBHSA-N 386.883 4.547 0 40 GJAB CC(=O)c1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 4134664 BAYZXJCPUPOMNF-UHFFFAOYSA-N 379.466 4.875 0 40 GJAB CC(C)c1ccc([C@H]2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)cc1 4459129 BWKIEAVKQZWAFM-LJQANCHMSA-N 383.451 4.577 0 40 GJAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C12CC3CC(CC(C3)C1)C2 4943689 ZILUQESPWUKRTC-UHFFFAOYSA-N 385.895 4.565 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(n1)[C@@]1(C)CC[C@@H]2C1(C)C 5060039 SBFDSAWXXZJANB-RCDICMHDSA-N 392.528 4.811 0 40 GJAB O=C(CSc1ccc(-c2cccnc2)nn1)Nc1cccc(Cl)c1Cl 5442341 XFKPZQXEUYWSRM-UHFFFAOYSA-N 391.283 4.576 0 40 GJAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc3ccccc23)NC(=O)N1 5943008 RWKHLYUXCGAMRU-QFIPXVFZSA-N 385.467 4.723 0 40 GJAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1C 6278142 FCVJASMATZXMFT-OAHLLOKOSA-N 384.545 4.867 0 40 GJAB CCc1ccc(N(CC(=O)c2ccc(OC)c(OC)c2)C2=NCCCC2)cc1 6870944 AXPSCWMVPQYGNV-UHFFFAOYSA-N 380.488 4.538 0 40 GJAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc2ccc(F)cc2s1 6880031 PWMKMZZBFFJVPS-SECBINFHSA-N 395.253 4.604 0 40 GJAB CCOc1ccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1Cl 6963976 FCIYDQOZFZXUKV-UHFFFAOYSA-N 397.906 4.932 0 40 GJAB COc1ccc(N(Cc2cccs2)C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1 8133550 RDHNCFKTAUCKAG-FQEVSTJZSA-N 393.464 4.592 0 40 GJAB C[C@@H](Nc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 8161323 SQRNOQFYZQTGFN-LJQANCHMSA-N 392.547 4.716 0 40 GJAB Cc1nnc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)n1C1CCCCC1 8208865 XZRGBSCMCQQTCF-CQSZACIVSA-N 398.532 4.807 0 40 GJAB COc1ccc(Br)cc1CSc1nc(-c2ccccc2F)n[nH]1 8562396 KHECTRAVHYUSJB-UHFFFAOYSA-N 394.269 4.674 0 40 GJAB O=C(c1nccnc1-c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 9385578 SIJQYUMXWBYBRE-UHFFFAOYSA-N 398.491 4.683 0 40 GJAB COCc1c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)oc2ccccc12 9605731 CUROQYUPJQBWJL-UHFFFAOYSA-N 390.439 4.740 0 40 GJAB CNC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1 9751221 PROLNEFGKHGADS-UHFFFAOYSA-N 387.464 4.575 0 40 GJAB COc1ccccc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 12022954 IDHYPXQPSZCFKT-UHFFFAOYSA-N 397.478 4.537 0 40 GJAB O=S(=O)(Nc1ccc(SC(F)F)cc1)c1ccccc1OC(F)(F)F 12508204 JNRCYBBUMRNTNX-UHFFFAOYSA-N 399.362 4.701 0 40 GJAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1cccc2ccccc12 12654952 LJVXKGMANIXWEX-UHFFFAOYSA-N 377.831 4.815 0 40 GJAB COc1ccc(C(=O)C2CCN(C(=O)CSc3cc(C)ccc3C)CC2)cc1 12742098 HJKQFJBMIZIYFD-UHFFFAOYSA-N 397.540 4.526 0 40 GJAB Fc1cccc(Cl)c1CN(Cc1ccncc1)Cc1ccc2c(c1)OCO2 13989747 PYKKUDYANLVAGL-UHFFFAOYSA-N 384.838 4.805 0 40 GJAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cn2nnc3ccccc32)cc1 15577826 FWBLVZVMSQLCBD-UHFFFAOYSA-N 396.372 4.751 0 40 GJAB COc1ccc(NC(=O)c2cc(OC)c3cc(Cl)ccc3n2)cc1Cl 15829222 OYNCQOOPOPAMTI-UHFFFAOYSA-N 377.227 4.811 0 40 GJAB Cc1ccc(S[C@@H]2CSc3nc(C)cc(=O)n3[C@H]2c2ccccc2)cc1 16779217 YRISKBSJAJBYEM-QUCCMNQESA-N 380.538 4.716 0 40 GJAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)C2CCCC2)n1 19689431 XWJGZKMABHEGAN-IBGZPJMESA-N 398.938 4.717 0 40 GJAB CC(C)n1c(SCc2ccccc2)nnc1-c1ccc2c(c1)OCCCO2 21723331 FZLHNLXIVRZRSY-UHFFFAOYSA-N 381.501 4.980 0 40 GJAB CSc1ccccc1C(=O)N(CCn1cccn1)c1nc2ccccc2s1 22602318 QVZSZFUULBWURH-UHFFFAOYSA-N 394.525 4.562 0 40 GJAB COc1ccc(-c2nn3c(NC4CCCCC4)cc(C)nc3c2C)cc1OC 23118874 FETGPKFQMWAGTK-UHFFFAOYSA-N 380.492 4.775 0 40 GJAB Cc1ccc(S[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1 24650703 RFBJFEORZOQSRD-LJQANCHMSA-N 382.573 4.778 0 40 GJAB Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccccc3F)nc12 25075010 KDDNBDDZZDOHSE-UHFFFAOYSA-N 375.403 4.613 0 40 GJAB Cc1ccc(C(=O)C2CCN(Cc3nc(-c4cccs4)no3)CC2)c(C)c1 26641372 HFHHYBIHPTZLEQ-UHFFFAOYSA-N 381.501 4.510 0 40 GJAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)CCc1ccc(Cl)cc1 28246761 YYALMVBIBFNMIA-UHFFFAOYSA-N 385.870 4.912 0 40 GJAB CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(OC)cc2)nc2onc(C)c12 36617443 JRBOHSAHEZVEDD-MRXNPFEDSA-N 379.460 4.612 0 40 GJAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)CCOc1ccc(F)cc1 40002697 KSNFWTKPVMMJEF-ZDUSSCGKSA-N 375.831 4.601 0 40 GJAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N(C)CCOc1ccc(F)cc1 40002698 KSNFWTKPVMMJEF-CYBMUJFWSA-N 375.831 4.601 0 40 GJAB Cc1c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)oc2ccccc12 46651262 IQHWNHKPFLUKFI-HZPDHXFCSA-N 396.512 4.532 0 40 GJAB c1ccc(-c2cnc(SCc3nc4ccccc4[nH]3)n2C[C@H]2CCCO2)cc1 46761225 GGUDOKRMHIITLO-QGZVFWFLSA-N 390.512 4.898 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1C 55785325 MZGKFNWMBFYMLY-MRXNPFEDSA-N 389.293 4.574 0 40 GJAB C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)c1ccc(Oc2ccccc2)c(F)c1 56932067 JOHIZPCEJVPQFD-MRXNPFEDSA-N 397.494 4.605 0 40 GJAB Cc1ccccc1NC1CCN([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 58178020 NKUQIXATSBPNNS-HNNXBMFYSA-N 396.560 4.547 0 40 GJAB CC(=O)N(C)Cc1cccc(NC(=O)[C@H](SCc2ccccc2)C(C)C)c1 58297713 MSKGKPZFYCPVFO-OAQYLSRUSA-N 384.545 4.561 0 40 GJAB Cc1ccccc1NC1CCN(C(=O)Nc2cccc(Br)c2)CC1 58331312 HIPACPDMJGGINA-UHFFFAOYSA-N 388.309 4.866 0 40 GJAB COc1ccc(CCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 65086306 QFYFGISYZZHPMP-UHFFFAOYSA-N 375.468 4.733 0 40 GJAB O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1Cc1cccs1 67259523 PUVUZQQHQHFJRM-UHFFFAOYSA-N 382.485 4.938 0 40 GJAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NC[C@@H]1CC=CCC1 69240120 STKZSCPWSGKGPY-RBUKOAKNSA-N 391.515 4.998 0 40 GJAB CN(C)CCOc1ccc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)cc1 71808639 YLTXRRGJZWBKRG-HXUWFJFHSA-N 387.549 4.742 0 40 GJAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc(-c2cccs2)no1 71844189 YECOARUIDYTSBF-ROUUACIJSA-N 395.528 4.916 0 40 GJAB O=C(C[C@@H]1C=CCC1)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 72288089 FBAHTTUWBQWXAE-QGZVFWFLSA-N 383.875 4.574 0 40 GJAB Cc1ncc(CNC(C)C)c2cc(C(=O)c3ccc(Br)cc3)oc12 95473216 SLPLDSCQHBGCGA-UHFFFAOYSA-N 387.277 4.628 0 40 GJAB C/C(=C\C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl)C1CC1 96298000 VDJRGMYSPOQHOF-DPCFLFMUSA-N 381.303 4.669 0 40 GJAB Cc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O 106724918 CCRAZUPVXSISPS-YBEGLDIGSA-N 388.286 4.994 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 222976253 HVXDPQBPXCUXND-NHCUHLMSSA-N 394.519 4.784 0 40 GJAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 223345853 GSJKWNYOVIEXDQ-HSZRJFAPSA-N 380.532 4.719 0 40 GJAB COc1ccccc1Oc1ccc(NC(=S)N[C@H](C)c2ccccc2)cn1 223959329 HKBCQJKINKZUFK-OAHLLOKOSA-N 379.485 4.930 0 40 GJAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1cccc(C)c1 224107783 GYHXBGKBCJSCNX-UHFFFAOYSA-N 375.468 4.555 0 40 GJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccc(Cl)c(Cl)c1 225340472 YIANEAJGQNTQBP-UHFFFAOYSA-N 390.270 4.635 0 40 GJAB Cc1cc(S(=O)(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)ccc1F 225601379 ATGXNOOKESSADM-IBGZPJMESA-N 389.492 4.639 0 40 GJAB O=C(Cc1ccc(Br)cc1)N1CCc2cc(-c3ccncc3)ccc21 225639245 GPQRUKCPOJJVRT-UHFFFAOYSA-N 393.284 4.643 0 40 GJAB S=C(Nc1cccc(Br)c1)NC1(c2ccccn2)CCCC1 225845644 JNACDHDJWHTQSS-UHFFFAOYSA-N 376.323 4.600 0 40 GJAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(OC)c(OC)c1 226092464 KJWYVERWTQKGAD-UHFFFAOYSA-N 392.293 4.843 0 40 GJAB CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(OCC)c1 226326398 PLAOQLLMMBAZMM-UHFFFAOYSA-N 379.250 4.604 0 40 GJAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(O)ccc5ccccc45)OCC[C@@]31C2 257204488 AUVTVJOFYAKIBE-LIXQKFDISA-N 393.527 4.954 0 40 GJAB O=C([C@H]1CC12CCOCC2)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 618963247 AFSJWCQTTSAGNO-MJGOQNOKSA-N 387.932 4.692 0 40 GJAB COc1ccc([C@H]2S[C@H](C)C(=O)N2c2ccc(Br)cc2)cc1 1064676 MJMCDPUKLXEZQQ-PIGZYNQJSA-N 378.291 4.625 0 40 GJAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1cccc(C)c1 1413848 LRNRTCNQZSTCOG-UHFFFAOYSA-N 388.423 4.829 0 40 GJAB CCc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1980672 TYOHMIJSQIBHJQ-UHFFFAOYSA-N 397.327 4.866 0 40 GJAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2nc3ccccc3s2)cc1 2403893 LIEIPQQUHFKMJP-UHFFFAOYSA-N 385.448 4.671 0 40 GJAB CN1CCCN(C(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)CC1 2640120 BJFSKNVIAFPFNJ-UHFFFAOYSA-N 395.506 4.833 0 40 GJAB O=C(Nc1ccc(F)cc1F)c1ccc(C(=O)Nc2ccc(F)cc2F)s1 3184616 VFCPGXXXVVRBNV-UHFFFAOYSA-N 394.349 4.809 0 40 GJAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)c1C 3370700 AQFGBWWCCWSEKS-YLJYHZDGSA-N 394.515 4.899 0 40 GJAB COc1ccc2cc(Br)ccc2c1COc1ccc(C(=O)O)cc1 4137174 HNJJYOKUKGSIGM-UHFFFAOYSA-N 387.229 4.888 0 40 GJAB C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCCCC2)cc1 4242706 WUHAMOHEQQVXFU-ZDUSSCGKSA-N 392.908 4.576 0 40 GJAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)c2ccccc2n1 4766408 XPMKULQKLVIMGY-INIZCTEOSA-N 384.435 4.880 0 40 GJAB Clc1ccc(C2OCC3(CO2)COC(c2ccc(Cl)cc2)OC3)cc1 4843910 ZAEVKLCAOLFYDP-UHFFFAOYSA-N 381.255 4.771 0 40 GJAB CC(C)Sc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 4875246 WZYMNTBAVBSLSS-UHFFFAOYSA-N 395.452 4.953 0 40 GJAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCCc4ccccc43)ccc21 5033450 OUPKQDRFIYUYHK-QHCPKHFHSA-N 383.447 4.734 0 40 GJAB O=c1[nH]c(CSc2nc3ccccc3s2)nc2sc3c(c12)CCCC3 6316008 LMNPRPWRTPZTAV-UHFFFAOYSA-N 385.539 4.765 0 40 GJAB COc1cccc(C(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)c1 6809638 POBIQAXUDCUBMF-UHFFFAOYSA-N 378.405 4.749 0 40 GJAB Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccccn1 6962556 IEGXBIMWTXZKOM-HPJGCCTDSA-N 382.533 4.578 0 40 GJAB COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)cc1 6995368 YQFFOYPOAFSCPX-DEOSSOPVSA-N 375.468 4.542 0 40 GJAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H](C)c3ccco3)cc12 7244067 SDSVFIRVRDAUDZ-ZDUSSCGKSA-N 383.448 4.678 0 40 GJAB O=C(Oc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 7929432 SLRIEQLFEMZJQC-KRWDZBQOSA-N 391.854 4.966 0 40 GJAB COc1ccc(-c2nnc(SCc3nc4ccccc4o3)n2C(C)C)cc1 8184523 QAGWQAUFIUWMNR-UHFFFAOYSA-N 380.473 4.968 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 8478242 WTVATCQVAMYZKP-IBGZPJMESA-N 388.895 4.666 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1C 9190335 RZRLROMIWZXOLJ-UHFFFAOYSA-N 388.467 4.502 0 40 GJAB COc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 9226470 NOBVJSVNVAEYRL-UHFFFAOYSA-N 386.407 4.946 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccccc2F)cc(C)c1Cl 10282389 VWTRQOTUGJGBNJ-HNNXBMFYSA-N 395.927 4.913 0 40 GJAB O=C(Nc1cccc(NC(=O)c2ccc(Br)s2)c1)c1ccco1 11179816 VNEAMRZQXPGSQJ-UHFFFAOYSA-N 391.246 4.608 0 40 GJAB COc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc1 11693795 NGNHLKDKQZLOCD-UHFFFAOYSA-N 396.497 4.627 0 40 GJAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccccc1F 11832778 OYLKASJTQRAVDO-BQYQJAHWSA-N 395.224 4.664 0 40 GJAB O=C(c1cnc2ccccc2n1)N1CCc2sccc2[C@@H]1c1cccs1 12791277 AOSAIMOFZLZPKX-LJQANCHMSA-N 377.494 4.541 0 40 GJAB CCN1CCc2nc3ccccc3c(C(=O)Nc3cc(Cl)ccc3F)c2C1 14180133 FOHJOHGTEHFFDT-UHFFFAOYSA-N 383.854 4.658 0 40 GJAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nccs3)[C@H]2c2cccs2)cc1 14461722 HWNCVEKYSJCUMN-YJBOKZPZSA-N 397.525 4.636 0 40 GJAB COc1ccccc1OP(=O)(Nc1cccnc1)Oc1ccccc1OC 17354759 CATMPNYYRHCCIS-UHFFFAOYSA-N 386.344 4.777 0 40 GJAB CCOc1ccc(-c2n[nH]cc2CNc2ccc(-n3nc(C)cc3C)cc2)cc1 19715886 DMKORTLXOXGYCZ-UHFFFAOYSA-N 387.487 4.890 0 40 GJAB O=C(COc1ccccc1Cl)Nc1cncc(-c2nc3ccccc3o2)c1 20103016 QSQPBGJGXWEABX-UHFFFAOYSA-N 379.803 4.561 0 40 GJAB COc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OC 20110192 RSMOKKWAANJMFZ-SXKZTFQGSA-N 387.479 4.931 0 40 GJAB Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)cc1 20121054 CUCKJLMFPYEEGR-QHCPKHFHSA-N 387.531 4.634 0 40 GJAB CCCSc1nc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)n2n1 20635826 IHBQIWSCVMSUEV-UHFFFAOYSA-N 376.485 4.969 0 40 GJAB O=C(c1ccc2nc(C(F)(F)F)sc2c1)N1CCO[C@H](c2ccccc2)C1 20745065 QPTNFHGLIIYXFD-HNNXBMFYSA-N 392.402 4.529 0 40 GJAB COc1cc(OC)cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)c1 26787340 WPVOUAKBEUCDMZ-UHFFFAOYSA-N 376.623 4.622 0 40 GJAB CCCCOC(=O)c1ccc(NC(=O)c2sc(-c3cccnc3)nc2C)cc1 28210397 QCNLPIDNCCSLMS-UHFFFAOYSA-N 395.484 4.723 0 40 GJAB Cc1sc(NC(=O)[C@@H](C)n2cnc3ccccc32)nc1-c1ccc(F)c(F)c1 31835580 IPPOCYNXHZFRCE-LLVKDONJSA-N 398.438 4.946 0 40 GJAB CN(C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1cccc(F)c1 32729472 LYBNXYDANNZCBM-OAHLLOKOSA-N 376.884 4.727 0 40 GJAB CC(C)(C)c1cc(NC(=O)CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)on1 32777469 MTHQUYKKZNEQCA-UHFFFAOYSA-N 395.425 4.594 0 40 GJAB COc1cccc(-c2ccc(SCc3nc(-c4ccc(C)cc4)no3)nn2)c1 33262475 OPNUSUTWOIDBPS-UHFFFAOYSA-N 390.468 4.803 0 40 GJAB O=C(CCCCCn1sc2ccccc2c1=O)Nc1ccc2cc[nH]c2c1 36358616 REUYVBGUKMOIAA-UHFFFAOYSA-N 379.485 4.743 0 40 GJAB c1ccc(-n2ncc3c(SCc4coc(-c5cccs5)n4)ncnc32)cc1 36852347 SJPVQJFIRXJRIG-UHFFFAOYSA-N 391.481 4.824 0 40 GJAB COc1ccc(CN(C)C(=O)c2cc(Br)ccc2Cl)cc1F 39975533 JEMOVODDYISIFL-UHFFFAOYSA-N 386.648 4.522 0 40 GJAB O=C(CCSc1ccccc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 44204271 JUETUODLIBHKJR-HNNXBMFYSA-N 399.541 4.687 0 40 GJAB CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 44932263 ZBUXUXBPHSKZFJ-LJQANCHMSA-N 380.532 4.636 0 40 GJAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)ccc1Cl 44947651 QFYSMFFBGBKVNC-SFHVURJKSA-N 389.879 4.930 0 40 GJAB COc1ccc(C)cc1-n1nnc(-c2nc(-c3ccc(C)cc3C)cs2)c1N 49001869 RCFZRRJURLSNRL-UHFFFAOYSA-N 391.500 4.574 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)cc1 49007039 OPWAFPGKUYXMMN-UHFFFAOYSA-N 395.459 4.525 0 40 GJAB O=S(=O)(c1ccccc1)c1cnc2ccccc2c1NCc1ccc(F)cc1 49421530 QWKXMUBPPYOVQU-UHFFFAOYSA-N 392.455 4.819 0 40 GJAB CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc3c(F)cccc3[nH]2)cc1 53471606 ZUBBXHATLLXDNR-CQSZACIVSA-N 396.466 4.672 0 40 GJAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(Cl)ccc2nsnc12 57313132 LADUJFLEXHXCPC-UHFFFAOYSA-N 382.272 4.794 0 40 GJAB CCN(CC)CCN(Cc1ccc(Cl)c(Cl)c1)Cc1nnc(C2CC2)o1 72313465 BSBHMIMUXYPVNC-UHFFFAOYSA-N 397.350 4.598 0 40 GJAB CN1CCC[C@@H](COC(=O)CCc2ccco2)[C@@H]1c1ccc(C(F)(F)F)cc1 78822812 XWSHGVUTEFJWQX-JXFKEZNVSA-N 395.421 4.857 0 40 GJAB O=C(Cc1ccc(F)cc1)NCc1cc(-c2cccs2)n(C2CCCC2)n1 90607063 XPFIPFOPRVJWGK-UHFFFAOYSA-N 383.492 4.725 0 40 GJAB Clc1cccc(-c2nc3c(c(N4CCC[C@@H]4c4ncc[nH]4)n2)CCCC3)c1 95467584 PTBWAMTXTNJUPL-GOSISDBHSA-N 379.895 4.740 0 40 GJAB CC(C)[C@H](N[C@H](C)c1ccc(I)cc1)c1ccccn1 95968214 XRGUYVBLPUTUHF-DYVFJYSZSA-N 380.273 4.734 0 40 GJAB CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C(=O)O)n2)cc1 100630481 SYMHCTPDXDKNHO-CAMMJAKZSA-N 398.528 4.694 0 40 GJAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)CC(C)(C)O2 219292408 ULSYYQGFSDLVFW-ACJLOTCBSA-N 389.879 4.535 0 40 GJAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219331245 URFXLWAIWUXROF-NHCUHLMSSA-N 397.515 4.888 0 40 GJAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C)c1 222956604 JYLYZHMMAJFOQV-YADHBBJMSA-N 390.556 4.953 0 40 GJAB C[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCC2 223224296 LAMXOKFAYDJGHJ-KRWDZBQOSA-N 396.962 4.918 0 40 GJAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223296167 WXILNOIBNHUPPI-INIZCTEOSA-N 391.533 4.565 0 40 GJAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)NC1CCCC1 224449147 PLUCGWMCKIPZJH-QGZVFWFLSA-N 385.335 4.569 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)COc3cccc4c3CCCC4)ccc21 225178340 GWSLVYIPNBSYRY-UHFFFAOYSA-N 396.512 4.540 0 40 GJAB CCOc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 225683283 YTLUQHCKGXMLPV-GOSISDBHSA-N 386.517 4.683 0 40 GJAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225692945 RNPINJKJDFHXLS-YYDVJCTNSA-N 390.568 4.577 0 40 GJAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C)cn3)N21 260786480 XNWDHBFYXRAQGP-HBGVWJBISA-N 389.528 4.555 0 40 GJAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)CC(C)C 408626109 ZWHRPDICZHQTSX-UHFFFAOYSA-N 394.496 4.628 0 40 GJAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C(C)C)ccc3Cl)oc2c1 408628249 RLZIHQSTOOXHNE-UHFFFAOYSA-N 387.892 4.926 0 40 GJAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 408676268 MTEYOIIYZBNBED-SFHVURJKSA-N 382.463 4.975 0 40 GJAB Cc1ccc(C)c(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 408714387 PUHPCCGVCMWTQC-UHFFFAOYSA-N 377.488 4.923 0 40 GJAB Clc1ccc(-c2n[nH]cc2CN2CC=C(c3c[nH]c4ncccc34)CC2)cc1 506629584 BOBFUNSLIDYZAP-UHFFFAOYSA-N 389.890 4.896 0 40 GJAB CC(=O)N1C[C@@H](CCc2nc(C(C)(C)c3cccc(F)c3)no2)c2ccccc21 585084247 QZKQGORQAQTDDW-MRXNPFEDSA-N 393.462 4.618 0 40 GJAB O=C(N[C@@H]1CCCc2nc(O)ccc21)C1(c2ccc(Cl)c(Cl)c2)CCC1 674077884 BUEXVHJXZLBOHE-QGZVFWFLSA-N 391.298 4.710 0 40 GJAB O=C(O)c1ccc2c(c1)CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 675051140 MSBOCURKBAZTRR-UHFFFAOYSA-N 399.446 4.692 0 40 GJAB Cc1ccc(C)c(C2=NO[C@@H](C(=O)N[C@@H]3CCC(C)(C)c4ccccc43)C2)c1 1535582611 XRNGZTMGUCVKAN-IFMALSPDSA-N 376.500 4.725 0 40 GJAB Clc1ccc(CN2CCC[C@@H](c3ccnc(Nc4nccs4)n3)C2)cc1 2037834682 CCYBPGSFZITUGI-OAHLLOKOSA-N 385.924 4.710 0 40 GJAB O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc3c(c2)OCO3)N1c1ccccc1 860755 BVYIYNXVXUZVEO-HSZRJFAPSA-N 395.418 4.555 0 40 GJAB COc1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)C2CCCC2)cc1 1360594 QGAUMQWQFJTYIT-UHFFFAOYSA-N 378.476 4.591 0 40 GJAB CCOc1cccc2sc(NC(=O)c3cccc(Br)c3)nc12 1514773 IIZDBVMQWLCXOZ-UHFFFAOYSA-N 377.263 4.710 0 40 GJAB CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCCOC)c23)CO1 2424776 VGBYANRJPWNIEW-LJQANCHMSA-N 395.594 4.882 0 40 GJAB CCCCOc1c(OCC)cc(C=O)c(Br)c1Br 2767838 FYAZYPXGXNFTLD-UHFFFAOYSA-N 380.076 4.602 0 40 GJAB Clc1ccc(CCNc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 4247471 SCSZQZQFVMWIPT-UHFFFAOYSA-N 384.270 4.777 0 40 GJAB Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC(=O)c2ccccc2)c1 5235869 UYYDPTMPZPRMTM-SFHVURJKSA-N 397.478 4.719 0 40 GJAB Cc1cccc(C(=O)NCCCc2nc3ccccc3n2Cc2ccccc2)c1 5545889 BQESIGOALFGVPT-UHFFFAOYSA-N 383.495 4.756 0 40 GJAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1ccc(-c2ccccc2)cc1 5681531 KGGYTWYACJPFRV-HSZRJFAPSA-N 388.492 4.699 0 40 GJAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1COc2ccccc2O1 6237071 RCLQRTGUWMSLDK-QSHMCURRSA-N 389.495 4.933 0 40 GJAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1COc2ccccc2O1 6272169 FGLSWSRHLGHPPH-AWEZNQCLSA-N 391.267 4.503 0 40 GJAB COc1ccc([C@@H]2NC(=S)NC3=C2CCCC3=C2SCCCS2)cc1 6457807 NBILIPQRUUCYCE-INIZCTEOSA-N 390.599 4.734 0 40 GJAB O=C1C[C@H](c2cc(F)cc(F)c2)Cc2c1cnn2-c1nc2ccccc2s1 6764470 MINYJPWFMHJKLS-GFCCVEGCSA-N 381.407 4.673 0 40 GJAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C)c(C)c1 6964510 AUFSIUNVQSTOCX-UHFFFAOYSA-N 377.307 4.501 0 40 GJAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NCC1CCCCC1 7160829 WTKYTYCLUBWTRP-GFCCVEGCSA-N 397.466 4.826 0 40 GJAB CN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C1CCCCC1 7161067 CTDVZMJGSJLDGM-UHFFFAOYSA-N 387.549 4.917 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)cc1Cl 7928623 GVTULPLDDLKDFK-QGZVFWFLSA-N 379.843 4.760 0 40 GJAB COc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1OC 8042055 QGMXTVRMPLQGHO-UHFFFAOYSA-N 380.469 4.843 0 40 GJAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2nc3c(C)cc(C)cc3s2)C(C)C)cc1 8401915 VEJJOJCBNDARFA-GOSISDBHSA-N 395.528 4.615 0 40 GJAB COc1cc2c(cc1NC(=O)c1cc(C(F)(F)F)n[nH]1)oc1ccccc12 8566540 PFYVWCUSRLVAEU-UHFFFAOYSA-N 375.306 4.589 0 40 GJAB COc1ccc2[nH]c(S[C@@H](C(=O)Nc3nccs3)c3ccccc3)nc2c1 8813102 ORSHENGXQPFGRU-MRXNPFEDSA-N 396.497 4.500 0 40 GJAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccccc3C)cs2)cc1 9625284 HPGVVRLHVRURAY-UHFFFAOYSA-N 380.473 4.585 0 40 GJAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC1CC(C)(C)NC(C)(C)C1 11422885 PQFDWPOUHSPOMJ-UHFFFAOYSA-N 391.968 4.811 0 40 GJAB O=c1[nH]c2c(s1)[C@H](c1ccc(Br)cc1)[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11990740 SQFALPKIUAOVMZ-UVHGVLLISA-N 394.359 4.851 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)cc2n1 12220353 JXCSTTURWFUDMU-ZDUSSCGKSA-N 396.457 4.624 0 40 GJAB C[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 12548085 CZFONVDTAFIPCU-LJQANCHMSA-N 397.478 4.796 0 40 GJAB COc1ccc([C@H](CNC(=O)c2ccc(Oc3ccccc3)cc2)N(C)C)cc1 12798652 MJCYLEWUFYIREL-QHCPKHFHSA-N 390.483 4.520 0 40 GJAB O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccccc1)NC1CCCC1 13365805 MQWOFMQNXRHBPL-UHFFFAOYSA-N 377.513 4.895 0 40 GJAB Cc1c(/C=C2\SC(=O)N(C)C2=O)c2ccccc2n1Cc1ccccc1F 15225496 XVUUNPVWRZXSAY-ODLFYWEKSA-N 380.444 4.803 0 40 GJAB Cc1cccc(N2CCN(C(=O)c3cc(-c4ccco4)nc4ccccc34)CC2)c1 16279311 NMJHIPDTRHTPRJ-UHFFFAOYSA-N 397.478 4.766 0 40 GJAB COc1cccc(CC(=O)N[C@H](c2ccc3c(c2)CCC3)c2cccs2)c1 18235394 KHFHPAHICWQNKD-HSZRJFAPSA-N 377.509 4.694 0 40 GJAB O=C1N(Cc2ccc(F)cc2)CC=CCC12CCN(Cc1ccc(F)cc1)CC2 19744759 UFSLMGDEQVEPGA-UHFFFAOYSA-N 396.481 4.536 0 40 GJAB Cc1ccc(CN(C)C(=O)COc2ccc(C(C)C)cc2Br)cc1 20460339 VVCTUIIYXUUONC-UHFFFAOYSA-N 390.321 4.918 0 40 GJAB Cc1c(-c2nnc(Cc3ccc(Cl)cc3)o2)nnn1-c1ccccc1Cl 20729749 SGYLREPJKMUQJR-UHFFFAOYSA-N 386.242 4.523 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)c(C)c1 22510095 SWOFLQQLJRZESC-GOSISDBHSA-N 375.852 4.621 0 40 GJAB Cc1ccnc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 23077904 NQIVWOMYIFDCGQ-IBGZPJMESA-N 393.874 4.543 0 40 GJAB CCOc1ccccc1CCC(=O)NCCc1ccc(-c2csc(C)n2)cc1 24658008 SZXWSTDXFUJMGN-UHFFFAOYSA-N 394.540 4.809 0 40 GJAB CCN(Cc1cccs1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 25288384 STBDUIUZYCAFKI-UHFFFAOYSA-N 391.496 4.637 0 40 GJAB CCCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 27662465 MBMBJOUFZLAVSQ-LJQANCHMSA-N 386.561 4.884 0 40 GJAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c2cccnc12 28404449 NOBFGOQRXNFDQY-OAHLLOKOSA-N 378.472 4.947 0 40 GJAB O=C1CCCc2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)ccc2N1 30884297 GFVKIUGSHFNKAV-GOSISDBHSA-N 391.496 4.548 0 40 GJAB Cc1ccccc1SCC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 32930249 ZXUZAMXQDRDDNJ-UHFFFAOYSA-N 390.508 4.656 0 40 GJAB Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C(=O)Nc2ccccc2C)c1 35311114 QTMSEKCYYBAMSR-SEJPIABJSA-N 391.515 4.651 0 40 GJAB COc1cc(-c2nc3ccc(C)cn3c2Nc2ccccc2)cc(OC)c1O 35615765 JFNREISFYSXSTN-UHFFFAOYSA-N 375.428 4.776 0 40 GJAB CC[C@H](C(=O)Nc1cccc(CN(CC)C(=O)C(F)(F)F)c1)c1ccccc1 36759726 MFDIDECVQKKJBP-SFHVURJKSA-N 392.421 4.730 0 40 GJAB C[C@H]1Cc2cc(-c3cc(CC(=O)Nc4ccc(F)c(Cl)c4)no3)ccc2O1 38498844 OLQKJKSZGBHBRX-NSHDSACASA-N 386.810 4.639 0 40 GJAB Cc1nc2ccc(NCC(=O)Nc3ccccc3SC(F)F)cc2s1 39978281 GFROKKWPAWZDAC-UHFFFAOYSA-N 379.457 4.970 0 40 GJAB COCCCn1c(SCc2csc(C)n2)nnc1-c1ccccc1Cl 40161748 GSRDJLFCJUTJGW-UHFFFAOYSA-N 394.953 4.692 0 40 GJAB CC(=O)Nc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)sc2c1 41078238 ORXGXEXJKKYFRR-UHFFFAOYSA-N 385.514 4.602 0 40 GJAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 65322202 PWYMMCGOMFIIGQ-UHFFFAOYSA-N 376.504 4.685 0 40 GJAB O=c1c2ccccc2nc(SCc2cc(F)cc(F)c2)n1Cc1ccco1 67259614 ULSJHKCRFMNDGE-UHFFFAOYSA-N 384.407 4.608 0 40 GJAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(N(C)c2ccccc2)cc1 78582373 SBBBJMSHASPKCE-NRFANRHFSA-N 379.548 4.839 0 40 GJAB Cc1nc(CNC(=O)c2ccc3ccccc3n2)oc1-c1ccc(Cl)cc1 79074065 FCFOGNBUHYQJFF-UHFFFAOYSA-N 377.831 4.782 0 40 GJAB O=C(OCc1cccc(Cl)c1)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 79438711 PBVXAIKUVNEOID-QGZVFWFLSA-N 378.299 4.949 0 40 GJAB CN(C)CCCC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 95452175 RVPKXTJAXWCHIT-SJORKVTESA-N 383.363 4.677 0 40 GJAB O=C(CSc1ccccc1C(=O)Nc1ccccn1)NC1CCCCCCC1 95947445 APDJBIDXNWGDHX-UHFFFAOYSA-N 397.544 4.655 0 40 GJAB COc1cccc(C[C@@H]2CCCN2C(=O)c2cnc(-c3ccsc3)s2)c1 95958575 CWNNAUIBVFBEST-INIZCTEOSA-N 384.526 4.728 0 40 GJAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nnc(SCc2ccc(F)cc2)s1 108901630 SCDCOEAKIUPIBQ-MELADBBJSA-N 377.510 4.734 0 40 GJAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C(=O)OC)ccc1Cl 216489701 WBNUHNSXQSKDQC-KRWDZBQOSA-N 375.852 4.540 0 40 GJAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)CC(C)(C)O2 219302866 OMGTULXROMLPEO-YLJYHZDGSA-N 397.515 4.806 0 40 GJAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219318067 OAJXXFAJQUOHCG-PMACEKPBSA-N 383.488 4.580 0 40 GJAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)c1 219606650 ADMJUJBHEPBHTM-SFHVURJKSA-N 375.852 4.621 0 40 GJAB Cc1cc(CN(C(=O)c2ccc3nc(Cl)n(C)c3c2)C2CCCC2)c(C)n1C 222563816 LEDDTXHIFVMUGA-UHFFFAOYSA-N 398.938 4.767 0 40 GJAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccccc2C)ccc1Cl 222842676 SPJRIXMSEIXRDT-INIZCTEOSA-N 377.937 4.774 0 40 GJAB Cc1ccccc1[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1 223070103 DYAXOQOUAGUVAV-DEOSSOPVSA-N 384.479 4.641 0 40 GJAB O=C(CSCc1ccc(Cl)cc1)NCCOc1ccc2ccccc2c1 223581847 BAIQOPLUHBHNCS-UHFFFAOYSA-N 385.916 4.922 0 40 GJAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2cccc(OC)c2)c2ccccc2O1 223994466 YUXNFXWIBOCBTE-OXQOHEQNSA-N 383.488 4.661 0 40 GJAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COCc1ccccc1 224744921 OBQRGXRRZCXAIZ-UHFFFAOYSA-N 375.468 4.732 0 40 GJAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225158298 RPQWUYZSLJAQQG-OAHLLOKOSA-N 384.501 4.667 0 40 GJAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225699625 YFHLWGKDTWLZNR-HSZRJFAPSA-N 390.568 4.865 0 40 GJAB Cc1cccc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)O)o3)C2)n1 257257754 KQYIYRKPHBCBQH-QGZVFWFLSA-N 376.456 4.728 0 40 GJAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)Cc3cccs3)CC2)n1 257286451 PLPVIQJDQIQUNA-UHFFFAOYSA-N 395.528 4.618 0 40 GJAB Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)c1 408696433 BIZVCLZPMZQRQJ-UHFFFAOYSA-N 390.393 4.773 0 40 GJAB CCOc1ccccc1/C=C1\S[C](Nc2cc(Cl)ccc2OC)NC1=O 408803222 MQPFXYGYLFYDLM-UHFFFAOYSA-N 389.884 4.510 0 40 GJAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc(O)cc4O)C(=O)O3)sc2c1 408839654 VFBJVEPWWASWPO-NTUHNPAUSA-N 385.828 4.619 0 40 GJAB CC(=O)Oc1ccccc1-c1csc(=Nc2cccc(Br)c2)[nH]1 409376796 BFAKDTWXYDEREW-UHFFFAOYSA-N 389.274 4.663 0 40 GJAB O=C(CC1CC1)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585263046 XBVCGTYYRKAZMO-INIZCTEOSA-N 394.906 4.556 0 40 GJAB CO[C@H](C(=O)Nc1ccc(Cl)cc1-c1ccc(Cl)cc1)[C@H]1CCOC1 614252628 SMQQYSBAEIODOI-UGSOOPFHSA-N 380.271 4.650 0 40 GJAB C[C@H](NC(=O)N1CCC[C@H](CCF)C1)c1cccc(NC(=O)c2ccccc2)c1 663577052 JVMYLGXRFPRTGC-ZWKOTPCHSA-N 397.494 4.781 0 40 GJAB CCOc1ccccc1NC(=O)c1sc2nc3cc(C)ccc3cc2c1N 1342826 QNTVJKSNYWNKTC-UHFFFAOYSA-N 377.469 4.991 0 40 GJAB COc1ccc(-c2nnc(N(CC(C)C)C(=O)Cc3cccs3)s2)cc1 1356544 LGAYTFQOUMHXKU-UHFFFAOYSA-N 387.530 4.507 0 40 GJAB CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CC1 1368512 WJXZZTNIPXHYMW-UHFFFAOYSA-N 394.500 4.699 0 40 GJAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)cc1F 3296164 HTCNXNSFFDNAEH-UHFFFAOYSA-N 376.598 4.581 0 40 GJAB CCN(C(=O)CSc1nncn1-c1ccccc1)c1cccc2ccccc12 3543196 MTZZKHLVIMLZLN-UHFFFAOYSA-N 388.496 4.566 0 40 GJAB O=S(=O)(NCc1csc(-c2ccccc2)n1)c1cc(Cl)ccc1Cl 4166824 ZPUVWAGDXQQUGX-UHFFFAOYSA-N 399.324 4.595 0 40 GJAB COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc(OC)cc3)C2)cc1 4174206 PPSOGJVBAUGEGW-FQEVSTJZSA-N 392.480 4.757 0 40 GJAB Cc1cccc(CSc2nc3c(c(=O)n2Cc2ccccc2)SCC3)c1 4358759 UGTRMFLPHKVZGO-UHFFFAOYSA-N 380.538 4.541 0 40 GJAB Cc1ccccc1CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2 4358796 IBINAIUVWKIWCN-UHFFFAOYSA-N 394.565 4.735 0 40 GJAB COc1ccc(-c2noc(-c3cc(Br)ccc3Cl)n2)cc1OC 4685176 YQCAMSOJXBOXEH-UHFFFAOYSA-N 395.640 4.837 0 40 GJAB Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 4694616 AGFWHYKKPBVSHW-UHFFFAOYSA-N 395.480 4.560 0 40 GJAB COc1ccc(C)cc1-n1c(S[C@H]2CCCCC2=O)nnc1-c1cccs1 6266788 OXBRXSXEHNBRGC-KRWDZBQOSA-N 399.541 4.917 0 40 GJAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1nccs1 6358622 XWKYWYAAHWARBG-LBPRGKRZSA-N 377.819 4.891 0 40 GJAB Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(C)cc2)cc1 6720310 IIQWUHIWAXFABY-UHFFFAOYSA-N 392.462 4.855 0 40 GJAB O=C(c1cc2ccccc2o1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 6757832 LLUJDHDSWVSBFJ-UHFFFAOYSA-N 391.858 4.597 0 40 GJAB CC(C)n1nc(C(=O)Oc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O 7058465 VVDSGSWJDBBNHI-UHFFFAOYSA-N 377.227 4.503 0 40 GJAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cc2ccccc2o1 7116488 CZWAOMPAKZLLRB-SJLPKXTDSA-N 391.471 4.554 0 40 GJAB COc1ccc(Cn2c(CO)cnc2SCc2cccc3ccccc23)cc1 7424386 CRQNKLKDGUSBPT-UHFFFAOYSA-N 390.508 4.878 0 40 GJAB COC(=O)c1c(NC(=O)c2ccc(N3CCCCC3)cc2)sc2c1CCCC2 7505035 AIJBMEGSUMCMBW-UHFFFAOYSA-N 398.528 4.656 0 40 GJAB Cc1cccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1C 7882407 VKLGQOUFRNZXSS-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1SCc1ccsc1 8325489 PKCYWSVSQIVBOT-UHFFFAOYSA-N 383.494 4.699 0 40 GJAB COc1cc2c(cc1/C=C(\CC(=O)O)c1nc3ccccc3s1)O[C@H](C)C2 9481560 DYFSFEGMEQKNSI-AZZDOICSSA-N 381.453 4.644 0 40 GJAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ccc(F)c(Cl)c3)ccc21 16120401 SJKXMGCAXSLDFS-LLVKDONJSA-N 377.868 4.752 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19597045 HJEAXBLCWQIXHQ-UHFFFAOYSA-N 390.914 4.887 0 40 GJAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 20796374 VJZNXJQXJNCKKH-ZDUSSCGKSA-N 386.908 4.583 0 40 GJAB Cc1noc(CSc2ccccc2C(=O)Nc2cccc3c2CCCC3)n1 22522761 DQRJBAMZISHCKO-UHFFFAOYSA-N 379.485 4.801 0 40 GJAB O=C(c1csc(Nc2ccccc2)n1)N1CCN(c2cccc(Cl)c2)CC1 23136747 KVEOXRPDCRRCBY-UHFFFAOYSA-N 398.919 4.503 0 40 GJAB CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Nc2ccc(C)cc2)c1 24101393 WBLFVRGJYUFKKQ-UHFFFAOYSA-N 380.469 4.742 0 40 GJAB CCc1cc2c(NCc3cccc(NC(=O)c4ccco4)c3)ncnc2s1 25571206 CEEITUMNPHBMGT-UHFFFAOYSA-N 378.457 4.711 0 40 GJAB CCCn1ccc(C(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)n1 28246050 CLHCHOXMKURJRR-UHFFFAOYSA-N 387.487 4.560 0 40 GJAB CC(=O)Nc1cc(-c2cccc(Br)c2)nn1CC1CCCCC1 32272753 CETHXNPTJUDMLF-UHFFFAOYSA-N 376.298 4.851 0 40 GJAB O=C(Nc1cccc2cccnc12)c1cc(-c2ccc(Br)cc2)on1 32623762 VFXZJOTWWFMTGK-UHFFFAOYSA-N 394.228 4.905 0 40 GJAB Cc1cc(-n2c(C)cc(C(=O)N(C)[C@H](C)c3cc4ccccc4o3)c2C)no1 40080435 XFAQULPTIPABPZ-MRXNPFEDSA-N 377.444 4.970 0 40 GJAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)c1OC(C)C 40268969 IRXMBMRNHPVBMP-KRWDZBQOSA-N 395.434 4.931 0 40 GJAB CC(C)(C)c1nn(-c2ccccc2)c2nc3c(cc12)CN(C1CCCC1)C(=O)O3 57744287 RFIUNKJDXBTLRX-UHFFFAOYSA-N 390.487 4.975 0 40 GJAB CC[C@@H](C)[C@H](C)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 58007484 GIPLZWLSEWDFTQ-SJORKVTESA-N 394.544 4.577 0 40 GJAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(C)c2C)n1 67297837 XCNJTQMDJYDZMW-LCUIJRPUSA-N 399.450 4.943 0 40 GJAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(SC(C)C)nc2)cc1 72217519 VNXXGUYJYZIPBD-LJQANCHMSA-N 390.574 4.806 0 40 GJAB Cc1cccc(NC(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)c1 77200386 NNHBDYKSVSWGKZ-RBUKOAKNSA-N 385.439 4.816 0 40 GJAB Clc1ccc(Cc2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 80346455 MDLVIIYNZQGMHA-UHFFFAOYSA-N 384.936 4.898 0 40 GJAB COC(=O)C[C@H](CC(C)C)c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 96115866 GVFPHGIBKMIWQH-HNNXBMFYSA-N 396.439 4.564 0 40 GJAB biogenic COc1ccc(C(=O)CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 96764415 GGJXCJHETPIENE-UHFFFAOYSA-N 382.243 4.612 0 40 GJAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@H]3C)CC2)on1 100743843 VTPIZYCPPZFJPB-BGTYHANMSA-N 396.535 4.609 0 40 GJAB CC1=C(CC(=O)NC2CC2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 101465665 ALVXJUSAQPKWCF-OEXTWCKPSA-N 395.499 4.560 0 40 GJAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 108874531 QJHVTXMLGBGPII-CYBMUJFWSA-N 390.936 4.988 0 40 GJAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 216320987 XIJZKWGXBBCVFP-IAGOWNOFSA-N 382.504 4.744 0 40 GJAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccccc1F 219024880 POWKONOBSXZGEN-MRXNPFEDSA-N 383.488 4.796 0 40 GJAB O=C(COc1ccc(Cl)cc1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219316303 SRSFAQIMPRXPBQ-GOSISDBHSA-N 397.874 4.704 0 40 GJAB COc1ccc(CNC(=S)Nc2ccc(Nc3cccc(C)c3)nc2)cc1 223927907 VQTFXZWHHLUPGB-UHFFFAOYSA-N 378.501 4.629 0 40 GJAB O=C(NCc1cccc(CN2CCCCC2)c1)C1(c2ccccc2)CCCC1 224700959 LYWBTXIWHWOLLX-UHFFFAOYSA-N 376.544 4.801 0 40 GJAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225157266 BKYDXCJOHDAGFF-UHFFFAOYSA-N 384.501 4.587 0 40 GJAB Cc1ccccc1C(=O)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225262704 QXAFZAWEZMWOOR-WOJGMQOQSA-N 379.510 4.701 0 40 GJAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225660988 MLKBQHSTASNDPU-UHFFFAOYSA-N 375.852 4.819 0 40 GJAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)n1 257299691 RRBUUIJRULOWSN-ZULIPRJHSA-N 392.547 4.708 0 40 GJAB COCCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 409093866 BDTVOSHMUMSKQE-UHFFFAOYSA-N 377.872 4.676 0 40 GJAB O=C(CCc1nc(O)c2ccccc2n1)N1CCC[C@H]1CCC1CCCCC1 676064492 SCADWBIZWVMSGV-SFHVURJKSA-N 381.520 4.620 0 40 GJAB C[C@H](NC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1)c1cc(Cl)ccc1Cl 1523956032 OUGPZWNSLKLFNY-DTWKUNHWSA-N 380.197 4.647 0 40 GJAB CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(CCCn2ccnc2)C1 956833 IOQIGNUKUONKLW-UHFFFAOYSA-N 389.455 4.536 0 40 GJAB CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C3CCCCC3)cc2)c2ccccc21 1076316 DNEPQDVMKRDLLE-XMMPIXPASA-N 377.484 4.561 0 40 GJAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCc4ccco4)c23)CO1 2215737 GEJRVEUMHFKWQH-GOSISDBHSA-N 375.519 4.860 0 40 GJAB CCOC(=O)c1c(NC(=O)c2ccc3cc(OC)ccc3c2)sc(C)c1C 2287705 IPSNATCTNZEPND-UHFFFAOYSA-N 383.469 4.956 0 40 GJAB Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(-c4ccccc4)on3)c2C)cc1 2795645 HKVXYTVVDKURTP-UHFFFAOYSA-N 386.455 4.764 0 40 GJAB Cc1cccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c1 2924749 FHKUZUPJARIUBB-QNGOZBTKSA-N 383.403 4.559 0 40 GJAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(I)cc1 3566716 GYJFUHZWIDBLAA-UHFFFAOYSA-N 391.130 4.562 0 40 GJAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2C(C)C)CC1=O 4033583 HWVZTISHZIJZLF-CQSZACIVSA-N 383.879 4.800 0 40 GJAB CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2CC(C)C)cc1 4265232 ADUUNHQLQIPNLE-UHFFFAOYSA-N 381.501 4.626 0 40 GJAB COc1ccc(C(=O)Oc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)cc1 4340737 SGHXHKLACVPXHW-UHFFFAOYSA-N 386.403 4.996 0 40 GJAB biogenic Cc1ccc(NC(=O)CC(C)(C)CC(=O)N2CCc3ccccc3C2)cc1Cl 4682641 QZOBHBVPZQSMGI-UHFFFAOYSA-N 398.934 4.978 0 40 GJAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccc(O)c2)on1 4881079 QIAUIHKTWKFHAI-UHFFFAOYSA-N 382.725 4.972 0 40 GJAB Cc1ccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 4958731 RADWZGJXQNVBNT-UHFFFAOYSA-N 399.878 4.514 0 40 GJAB O=C(C[C@H](Sc1ccc(Cl)cc1)C(=O)O)c1ccc(Br)cc1 5252692 WKDXKJXEVIRIET-HNNXBMFYSA-N 399.693 4.921 0 40 GJAB CCOc1ccc(NN2C(=O)S/C(=C\c3c[nH]c4ccccc34)C2=O)cc1 5376019 REUXUAAKZNDTRF-WQRHYEAKSA-N 379.441 4.630 0 40 GJAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 5794556 OMLUBDWKDPMLMO-UHFFFAOYSA-N 394.858 4.918 0 40 GJAB CC[C@H](C)c1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)cc1 6077826 DIMXMHOGLXLANI-HNNXBMFYSA-N 395.528 4.979 0 40 GJAB Cc1cc(C)c(NC(=O)CSc2ncnc3sc4c(c23)CCC4)c(C)c1 6112886 BLSOKMXZEMNEQC-UHFFFAOYSA-N 383.542 4.836 0 40 GJAB COc1cc2sc(NC(=O)COc3ccc(Cl)cc3C)nc2cc1Cl 6471764 GMRAOWXEIJVVGY-UHFFFAOYSA-N 397.283 4.938 0 40 GJAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1 7882553 WSKXBZHQHMPVMQ-CYBMUJFWSA-N 377.271 4.602 0 40 GJAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1Cl 8218238 YEFTVNLCVBWDRD-LBPRGKRZSA-N 396.796 4.659 0 40 GJAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 8341929 ALRCOWKBIMFULW-QHCPKHFHSA-N 394.515 4.877 0 40 GJAB Cc1ccc2[nH]c(=O)c(CN(CC(C)C)C(=O)c3ccccc3Cl)cc2c1 9242805 FZJDZLHIIFVNGZ-UHFFFAOYSA-N 382.891 4.788 0 40 GJAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1coc2ccccc2c1=O 9434209 BXVXJTSLNMBFDF-UHFFFAOYSA-N 381.391 4.589 0 40 GJAB O=S(=O)(c1ccccc1)N1CC[C@]2(Cl)CCCC[C@H]2[C@H]1c1ccccc1 11859835 OMYLBMBYGSSHCP-PWRODBHTSA-N 389.948 4.990 0 40 GJAB O=C(Cc1ccc(F)cc1Cl)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188114 BNGJRODLYMDQKN-GOSISDBHSA-N 382.866 4.976 0 40 GJAB Cc1c(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)oc2ccc(Cl)cc12 12559509 WOOSZYHREZDVSX-SFHVURJKSA-N 397.837 4.787 0 40 GJAB CC(=O)c1c(C)[nH]c(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1C 12569617 ATOOTXXEOYNMIJ-IBGZPJMESA-N 384.526 4.745 0 40 GJAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc2c(c1)OCO2 13011400 GMHWDXXOZNBZNS-UHFFFAOYSA-N 389.451 4.657 0 40 GJAB CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)CC(=O)Nc1ccc(F)cc1 13057433 OEXLJIVCHQNKLF-UHFFFAOYSA-N 399.510 4.582 0 40 GJAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13685485 ZDMFSDYMJFONMJ-KRWDZBQOSA-N 390.483 4.776 0 40 GJAB COC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 13687883 TZMWLSKBJORRGQ-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB CCc1ccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)cnn3c2C)cc1 19817082 NRCWCWHZBNYDEP-UHFFFAOYSA-N 391.862 4.568 0 40 GJAB COc1c(C)cccc1C(=O)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1C 21146963 JTBJEWQXHYMZNU-UHFFFAOYSA-N 386.455 4.607 0 40 GJAB CC[C@H](C)c1ccc(OCC(=O)Nc2c(Cl)ccc3nsnc23)cc1 21595522 MQVBBAYSHNYRHN-NSHDSACASA-N 375.881 4.876 0 40 GJAB Clc1cccc(-c2nn(-c3ccccc3)cc2CNCCc2ccccn2)c1 24106087 OACBDFKNPSYCTD-UHFFFAOYSA-N 388.902 4.920 0 40 GJAB O[C@@H](c1ccccc1)C1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 25454447 CWPUPDDJMNSDMX-QHCPKHFHSA-N 396.494 4.642 0 40 GJAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)C1 30751634 GPBUEPJJXPAMNC-GOSISDBHSA-N 384.951 4.935 0 40 GJAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(C)o1)c1ccccc1 32950434 RDUDEZGLDUCIFB-FQEVSTJZSA-N 379.412 4.524 0 40 GJAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC[C@@H]1c1ccncc1 32954908 UOXYVIBJWKEYII-HXUWFJFHSA-N 386.499 4.649 0 40 GJAB Cc1ccc(CN2CCC(C(=O)NCCCc3ccc(Cl)cc3)CC2)cc1 39762075 XESUILSAOLQIJK-UHFFFAOYSA-N 384.951 4.609 0 40 GJAB Cc1nn2c(ncc3c(=O)n(CCC(C)C)ccc32)c1-c1ccc(Cl)cc1 40397571 LKDBVZRYPSAFBX-UHFFFAOYSA-N 380.879 4.719 0 40 GJAB Cc1nnc([C@H](C)Sc2nc3ccccc3c(=O)n2CCC2=CCCCC2)o1 48187420 SUONBDBRVRHEMO-AWEZNQCLSA-N 396.516 4.832 0 40 GJAB CC(C)c1nnc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)o1 49422524 KFSXVGGWEQDLKD-UHFFFAOYSA-N 382.386 4.623 0 40 GJAB CCc1cccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2ccccn2)c1 67293442 DLYZTMWBKZTTMA-LCUIJRPUSA-N 399.450 4.884 0 40 GJAB O=C(c1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72357607 RSPKONNAKTUPPT-QFIPXVFZSA-N 378.422 4.928 0 40 GJAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72357987 VIHUXIVUSJBNQD-HSZRJFAPSA-N 392.449 4.857 0 40 GJAB c1ccc(CN2C[C@H]3CN(CC(c4ccccc4)c4ccccc4)C[C@@H]3C2)cc1 96245623 JIYGBLYRRARIFK-UIOOFZCWSA-N 382.551 4.882 0 40 GJAB O=C1[C@H]2[C@@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 101464101 BTIQDACSUXCHFU-DRLYGMLMSA-N 386.278 4.923 0 40 GJAB O=C(CSCc1cccc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 104727220 KMHRLJXZNMGZIB-UHFFFAOYSA-N 395.355 4.575 0 40 GJAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 170565802 FVDJJJNXNMKVBQ-GOSISDBHSA-N 386.451 4.779 0 40 GJAB O=C(COc1ccccc1F)N1CCS[C@H](c2ccccc2Cl)CC1 206992563 HRALCYYVQOSQKV-SFHVURJKSA-N 379.884 4.565 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219369388 JDROOIDFTNGKTL-UXHICEINSA-N 397.515 4.888 0 40 GJAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(OC)c(C)c1 223296413 WHKFQUJVDUIHHO-MRXNPFEDSA-N 382.287 4.957 0 40 GJAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 223658443 FCLSAYFTBPXXAA-HSZRJFAPSA-N 394.559 4.651 0 40 GJAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2cccc(OC)c2)c2ccccc2O1 223994629 YUXNFXWIBOCBTE-JXFKEZNVSA-N 383.488 4.661 0 40 GJAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccc(Cl)cc1Cl 225380772 ZSOSJHASUVOZDP-UHFFFAOYSA-N 390.270 4.635 0 40 GJAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)O 225793377 JMJXZVUNVBQREH-FOEVPDMQSA-N 397.858 4.984 0 40 GJAB CCOCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(C)n1 225861138 FYTPFFNMLHNKFM-UHFFFAOYSA-N 382.504 4.564 0 40 GJAB CN(C)C(=O)c1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1 225871749 BYYDMSKVDAQKIW-UHFFFAOYSA-N 395.572 4.620 0 40 GJAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 245228395 VJYHHKMHISXAIU-JTDSTZFVSA-N 391.939 4.636 0 40 GJAB Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CCN(Cc3cccnc3)CC1)O2 257311350 UJAPLSOAERWGBH-PZJWPPBQSA-N 384.907 4.630 0 40 GJAB COCCN1C(=O)N(c2ccc(Cl)cc2)[C@@H]2[C@H](c3ccccc3F)CC[C@@H]21 257336090 YNCKYGTVQKDKGC-YSIASYRMSA-N 388.870 4.682 0 40 GJAB OC[C@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)CC[C@H]1c1ccccc1 510175969 LUTVOVSCMVMQTL-NQIIRXRSSA-N 382.891 4.593 0 40 GJAB C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2ccncc2)cc1 539069817 ZQPJDICUCAMSGP-HRAATJIYSA-N 391.902 4.858 0 40 GJAB COc1ccc(-c2nc([C@H]3CC=CCC3)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547200823 IUYJWVABOYHBNI-HNNXBMFYSA-N 378.428 4.543 0 40 GJAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C)c(C)c3)c2)cc1 1064029 HYAGKGPPKFHPHY-UHFFFAOYSA-N 379.481 4.644 0 40 GJAB CC(C)c1nc(SCC(=O)N2CCCc3ccccc32)c2ccccc2n1 1342904 HCWZKAFFTYEXBV-UHFFFAOYSA-N 377.513 4.825 0 40 GJAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccncc1 1355082 ROGYLAGRSSGHIX-UHFFFAOYSA-N 377.419 4.580 0 40 GJAB O=C(O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccn1 1565423 PADLREYLFMEKDP-UHFFFAOYSA-N 387.464 4.778 0 40 GJAB CCN(CC)CCC[C@H](C)Nc1ncnc2c1[C@@H](c1ccccc1)C(C)(C)O2 1708597 PUPZSDCVJPVQTJ-FXAWDEMLSA-N 382.552 4.702 0 40 GJAB COc1ccccc1NC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 3230284 MOWJMJTXVFBHPE-NTCAYCPXSA-N 399.493 4.541 0 40 GJAB Cc1ccc(C2=NNC(c3cccs3)=Nc3ccc(Br)cc32)o1 4168611 XIXQGYVTGNZBSF-UHFFFAOYSA-N 386.274 4.846 0 40 GJAB Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1C 4305503 ZOTVQJCVNVOYPO-OAQYLSRUSA-N 376.525 4.899 0 40 GJAB Oc1ccc(Br)cc1-c1nc2cnccn2c1Nc1ccccc1 4597413 YQIHZYJICWDGLU-UHFFFAOYSA-N 381.233 4.608 0 40 GJAB COc1ccc(Nc2nnc(SCC(=O)c3c[nH]c4ccccc34)s2)cc1 4838665 SKSWIAGWRFSHFG-UHFFFAOYSA-N 396.497 4.747 0 40 GJAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc2c(s1)-c1ccccc1CC2 5302980 CRNQGDIEGZXNKL-UHFFFAOYSA-N 388.448 4.921 0 40 GJAB O=C(COc1ccccc1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 6889799 LHNOLTAMAQZKSV-UHFFFAOYSA-N 378.497 4.634 0 40 GJAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cc(Cl)ccc1F 7922980 SIXQPPVNTVHWHQ-LLVKDONJSA-N 377.872 4.720 0 40 GJAB C[C@H](NC(=O)CN1CCC[C@@H]1c1cccn1C)c1ccc(-c2ccccc2)cc1 8184509 KZUDQFQQDYTJBX-YADARESESA-N 387.527 4.706 0 40 GJAB CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(C)n1 8303630 CAHHXDHLKODZLT-LBPRGKRZSA-N 398.359 4.932 0 40 GJAB O=C(Nc1nnc(Cc2ccc(F)cc2)o1)c1sc2ccccc2c1Cl 8921235 BUENVDFKIPNFMS-UHFFFAOYSA-N 387.823 4.920 0 40 GJAB COc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 9266636 GHIGXLVHMLCDTC-UHFFFAOYSA-N 398.466 4.867 0 40 GJAB C[C@@H](C(=O)N1CCCCCC1)n1c(COc2ccccc2)nc2ccccc21 9366843 NTVGXRHKWKRPEW-SFHVURJKSA-N 377.488 4.579 0 40 GJAB CCc1ccc(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 10315365 KAHUVKDOMKGTKD-UHFFFAOYSA-N 390.449 4.549 0 40 GJAB CC(C)(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)C3CC3)cc2n1 12219902 SDWAROZHGFIEQZ-AWEZNQCLSA-N 394.441 4.509 0 40 GJAB C[C@H](NC(=O)/C=C/c1ccc(OCc2cccnc2)cc1)c1ccc(F)cc1 12527596 NWUDFEKNFQMYGU-SDTVSMOJSA-N 376.431 4.690 0 40 GJAB CCc1nnsc1C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 12765088 FGQDTJFEOSZRGL-UHFFFAOYSA-N 399.328 4.707 0 40 GJAB CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 12797348 VWLTWWVABCDKAC-IBGZPJMESA-N 398.934 4.956 0 40 GJAB COc1c(Br)cc(Cl)cc1NC(=O)Cc1c[nH]c2ccccc12 12906094 ITMSWQOGFHLIHN-UHFFFAOYSA-N 393.668 4.774 0 40 GJAB CC(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1 12931996 CAMJQAZTHPLZIG-HSZRJFAPSA-N 390.508 4.537 0 40 GJAB Cc1cc2nc(Nc3nc(-c4ccccc4Cl)cc(=O)[nH]3)nc(C)c2cc1C 13693418 RWLPZLBSPYHBCQ-UHFFFAOYSA-N 391.862 4.702 0 40 GJAB Cc1cc2c(c(=O)o1)C(c1ccc(Cl)c(Cl)c1)c1c(cc(C)oc1=O)O2 16756456 OHSBZQYNKDTERO-UHFFFAOYSA-N 391.206 4.803 0 40 GJAB Cc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3ccc(Cl)cc3Cl)c2c1 16807793 UWZCBCRQXXXXIH-UHFFFAOYSA-N 397.327 4.613 0 40 GJAB CNC1CCC2(CC1)CN(Cc1ccnc3ccccc13)Cc1ccccc1O2 19592020 BRVYYFZIYAGXCE-UHFFFAOYSA-N 387.527 4.530 0 40 GJAB Cc1cc(C)c2c(=O)cc(C(=O)N3CCC(Cc4ccccc4)CC3)oc2c1 20867828 KHCXEGFNYUESJA-UHFFFAOYSA-N 375.468 4.505 0 40 GJAB Cc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1c(F)cccc1Cl 24491575 FHFCYNRPXCADTG-UHFFFAOYSA-N 378.856 4.705 0 40 GJAB CCN(Cc1ccc(OC)c(F)c1)C(=O)COc1ccccc1-c1ccccc1 24748897 SDGQEPSMZLFGBT-UHFFFAOYSA-N 393.458 4.929 0 40 GJAB O=C1c2cccc3cccc(c23)N1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 24843811 IUQOPZJPRAZNGE-OAQYLSRUSA-N 395.458 4.907 0 40 GJAB O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cccc(OC(F)F)c1 31993904 GGXNGLWQVUXAMG-UHFFFAOYSA-N 378.375 4.727 0 40 GJAB CSc1cccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4ccccc4)nn32)c1 32087412 JDEGECYUQDRCGS-QGZVFWFLSA-N 392.484 4.752 0 40 GJAB CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 32622185 GKVLDQVGXHNJGD-HXUWFJFHSA-N 397.906 4.808 0 40 GJAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccccc1F 38756914 FBYDYLJWMRIKAX-IBGZPJMESA-N 375.509 4.650 0 40 GJAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 40160036 VTLKEZYOHLKIOT-UHFFFAOYSA-N 391.448 4.756 0 40 GJAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2Cl)c1 40288028 IOOJOKXXQVRMAZ-AWEZNQCLSA-N 383.835 4.667 0 40 GJAB Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(NCc2ccco2)n1 40556469 MZLDIRPFQUHRIH-UHFFFAOYSA-N 376.507 4.765 0 40 GJAB COc1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)cc1OC(F)F 43994757 PXSOUHBPHSIXMV-INIZCTEOSA-N 376.403 4.536 0 40 GJAB Cc1cc(C)cc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c1 67296006 QEJFXOITHBIXCP-ATJXCDBQSA-N 375.453 4.991 0 40 GJAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1ccccc1Cl 71326364 KNGKLVVCFRCZKY-UHFFFAOYSA-N 393.299 4.827 0 40 GJAB Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)c3cccs3)CC2)c1 96183728 ZKWKRKKCSGKVLU-QHCPKHFHSA-N 390.552 4.912 0 40 GJAB CN(CC[C@H](Oc1cccc2ccccc12)c1cccs1)C(=O)CCC(=O)O 97974549 AJLVEKJDKWHFDD-IBGZPJMESA-N 397.496 4.735 0 40 GJAB Cc1ccc(NC(=S)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 100213601 XHWQQIQHOPLJDJ-UGESXGAOSA-N 381.589 4.587 0 40 GJAB biogenic Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1 222821386 BRGVGDZUEYQTSW-LEWJYISDSA-N 376.529 4.562 0 40 GJAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053523 LKAQZRVHOYLGRO-LJQANCHMSA-N 392.480 4.549 0 40 GJAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N)cc1Br 227157082 PBZILXBMLUABBV-UHFFFAOYSA-N 390.064 4.599 0 40 GJAB O=C(NCc1cccnc1-c1cccnc1)c1cccc(OCc2ccccc2)c1 238813225 AVCQLPFORUWONO-UHFFFAOYSA-N 395.462 4.653 0 40 GJAB Cc1cccnc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257334193 YEYUGQOLQPCALJ-GOSISDBHSA-N 381.863 4.600 0 40 GJAB Cc1nn(C[C@H](C)C(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C 257367386 GVTRTZOMEBCWNT-HGGDBFGZSA-N 379.548 4.533 0 40 GJAB CCc1sc(-n2cccc2)nc1C(=O)Nc1cccc(Br)c1 1565524159 COLZBLQIVOPBPG-UHFFFAOYSA-N 376.279 4.511 0 40 GJAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1cc(-c2ccccc2)on1 1775966760 XSUZKVQXJJWJOA-OAHLLOKOSA-N 396.493 4.595 0 40 GJAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc(Cl)c1 831475 KHDNWQCKSRZGQF-LIKPIUCQSA-N 385.850 4.737 0 40 GJAB biogenic CCCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2ccccc2C)s1 1345315 VVUZWMRKPBZTNW-UHFFFAOYSA-N 381.501 4.508 0 40 GJAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc2ccccc2n1 2619419 AAMBTEXAOXHSFG-UHFFFAOYSA-N 396.472 4.770 0 40 GJAB CCOP(=O)(OCC)[C@@H](O)/C=C(\Cl)c1ccc(Br)cc1 3126129 NDYNANDUTQNCTO-KIWPFMIBSA-N 383.606 4.613 0 40 GJAB COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(Cl)cc1)N1CCCCC1 3384297 AVJSBCBRHBYDNS-NRFANRHFSA-N 399.918 4.831 0 40 GJAB Cc1ccc(Cn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 4384993 YZISHXXVDPODQG-UHFFFAOYSA-N 375.516 4.632 0 40 GJAB C(=C/c1nc2ccccc2nc1CCN1CCCCC1)\c1ccc2c(c1)OCO2 4582055 XYCLCYCLXNYJOP-CSKARUKUSA-N 387.483 4.557 0 40 GJAB O=C(CCNc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCO2 4708249 NOVCBPBKJMFLNW-UHFFFAOYSA-N 375.424 4.679 0 40 GJAB CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CO[C@@H](C(C)C)C4 5024632 YQPQFDFBYKEJHR-CQSZACIVSA-N 396.541 4.825 0 40 GJAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccccc1F 5099404 KFWSQVKVHFEWOZ-UHFFFAOYSA-N 380.444 4.733 0 40 GJAB CSc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1 6362916 OJDDJWAPZORBTJ-MDWZMJQESA-N 377.465 4.757 0 40 GJAB CCCCC(=O)Nc1cccc(NC(=O)COc2ccc3ccccc3c2)c1 6396883 DCCLZPHQYMOQRD-UHFFFAOYSA-N 376.456 4.986 0 40 GJAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC(c1ccccc1)c1ccccc1 7920971 FBTLQSZPHVLACB-UHFFFAOYSA-N 395.506 4.937 0 40 GJAB C[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1cccc(C(F)(F)F)c1 7989065 DEQIXPAAWHZOKL-AUUYWEPGSA-N 393.405 4.754 0 40 GJAB FC(F)(F)c1nc(NC[C@H](c2cccs2)N2CCCC2)c2ccccc2n1 8325933 QGZXBSZBQQLUSS-OAHLLOKOSA-N 392.450 4.959 0 40 GJAB CC[C@H](CO)NCc1cc(Br)ccc1OCc1ccccc1Cl 8337036 LBZSWYDOLDHCDW-MRXNPFEDSA-N 398.728 4.542 0 40 GJAB COc1cc(CNC2CC2)cc(Br)c1OCc1ccccc1Cl 8470389 OKOHHTOKTXYIBH-UHFFFAOYSA-N 396.712 4.942 0 40 GJAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 9376848 IJSFCZSKMPGRIZ-SFHVURJKSA-N 380.488 4.676 0 40 GJAB CC(C)c1ccc(-c2nnc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)s2)cc1 9548946 VBPJOBRXANNTRK-KRWDZBQOSA-N 393.468 4.569 0 40 GJAB COc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)cc1 9694746 PTJHNBFVLOIGOA-PXLXIMEGSA-N 386.426 4.977 0 40 GJAB CC(C)[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccs1 9796521 ITYNPQJLAZVXGU-SFHVURJKSA-N 377.941 4.630 0 40 GJAB COc1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)ccc1OC(C)C 10899226 UDBFOPDNFKXBFB-UHFFFAOYSA-N 396.531 4.745 0 40 GJAB Fc1ccc(OCc2noc(CN(Cc3ccccc3)Cc3ccco3)n2)cc1 12819683 FHMKJSQAQOVCPZ-UHFFFAOYSA-N 393.418 4.583 0 40 GJAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708676 WAAFUPPKUBFEBE-KRWDZBQOSA-N 390.483 4.728 0 40 GJAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 13709154 IACDCLLJDPOMMH-GOSISDBHSA-N 379.525 4.965 0 40 GJAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc2c(s1)-c1ccccc1OC2 14084830 FEQXHWQRVRWLKD-UHFFFAOYSA-N 390.464 4.908 0 40 GJAB Cc1cccc2c(=O)[nH]c(CN[C@@H](C)c3cc(F)c(Cl)cc3Cl)nc12 16694829 ZNGCSCRLULEKND-JTQLQIEISA-N 380.250 4.528 0 40 GJAB Cc1ccc(-c2nnc(CNC(=O)Cc3ccc(-c4ccccc4)cc3)o2)s1 19217908 KOFCTPFCSPNXNB-UHFFFAOYSA-N 389.480 4.632 0 40 GJAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(C[C@H]2CC=CCC2)C1 19400454 ANZNQKFCIDZDIG-FBLLAGFSSA-N 395.591 4.888 0 40 GJAB Cn1cc(-c2csc(NC(=O)c3ccccc3)n2)c(-c2ccc(F)cc2)n1 19696578 JTKBJGRUSZIXDH-UHFFFAOYSA-N 378.432 4.602 0 40 GJAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1ccc(Cl)cc1 21787218 NXRIGRJYPKOQIV-FQEVSTJZSA-N 397.906 4.842 0 40 GJAB CCn1c(Sc2ncnc3sc4c(c23)CC[C@H](C)C4)nnc1-c1ccco1 22061334 QPWYSFHBVKEYEK-NSHDSACASA-N 397.529 4.839 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1C 22531797 CRVUSIOKBXCHGK-JXFKEZNVSA-N 382.504 4.628 0 40 GJAB Cc1cccc(-c2nc(CC(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cs2)c1 27851400 MJXHBFBWMMUJSV-LSDHHAIUSA-N 382.451 4.898 0 40 GJAB CC(C)c1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cc1 28220617 PNUXAOYISDETEP-UHFFFAOYSA-N 389.908 4.509 0 40 GJAB O=C(CC(c1ccccc1)c1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1 29112508 OFYSXSXTCBDHIM-DEOSSOPVSA-N 389.470 4.948 0 40 GJAB O=C(CN1CCO[C@@H](c2ccc(F)cc2)C1)Nc1ccc(-c2ccccc2)cc1 29538016 UJQPTHJZHWELHR-HSZRJFAPSA-N 390.458 4.505 0 40 GJAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(F)cc1Cl)CC(O)=N2 32091698 BJWFZJXZVGETBV-LLVKDONJSA-N 392.221 4.540 0 40 GJAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc2nccnc12 35311250 LWSKLOCSNUOJEW-UHFFFAOYSA-N 379.423 4.734 0 40 GJAB Cn1cc(CN(CCCn2ccnc2)Cc2cccc(F)c2)c2cc(F)ccc21 36740190 QUENSFWOVLSACG-UHFFFAOYSA-N 394.469 4.746 0 40 GJAB Cc1cccc(N2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)c1 40098889 PHVMEPUUXQDFLA-UHFFFAOYSA-N 385.511 4.940 0 40 GJAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)cc1C 44856686 RXFMSNFIFSEEHE-HSZRJFAPSA-N 382.523 4.922 0 40 GJAB S=c1[nH]c(-c2cccs2)nn1CN1CCC(c2nc3ccccc3o2)CC1 45295668 MWPFFWXRBZQRMP-UHFFFAOYSA-N 397.529 4.647 0 40 GJAB COc1ccc([C@H](C)NC(=O)[C@H](SCc2ccccc2)C(C)C)c(OC)c1 58306772 SDSDTYMSTRRWTF-HRAATJIYSA-N 387.545 4.839 0 40 GJAB O=C(Nc1nc(SCc2ccc(F)cc2)ns1)c1ccccc1Cl 59131925 MHWUZNRYXIBNQF-UHFFFAOYSA-N 379.869 4.875 0 40 GJAB CC(C)Cc1ccc(-c2ccc(=O)n(CC(=O)c3ccccc3Cl)n2)cc1 67206884 VJYFUIPBVXYIQZ-UHFFFAOYSA-N 380.875 4.645 0 40 GJAB Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 67292744 AVIQKUKRNJXIPI-FGGSVNHKSA-N 396.874 4.536 0 40 GJAB CC(C)CN(CC(F)(F)F)C(=O)CSc1ccc(Br)cc1 70021901 ZIPUIPQZEAJBJR-UHFFFAOYSA-N 384.261 4.588 0 40 GJAB Cc1nn(C(C)C)c(C)c1NC(=O)NC[C@H](CC(C)C)N[C@H](C)c1ccccc1 72277773 OIQZIBDZUKYRRS-UTKZUKDTSA-N 399.583 4.968 0 40 GJAB CSc1sc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)nc1C 89520852 SMYZRKXHXJUSPU-UHFFFAOYSA-N 392.937 4.632 0 40 GJAB Cc1cc(C)cc(OCCC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)c1 89585472 SGRTZLLUCWDCFN-UHFFFAOYSA-N 379.456 4.600 0 40 GJAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc23)o1 96052618 AWZJKRUOXFOEDQ-LJQANCHMSA-N 380.532 4.524 0 40 GJAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)cc1F 98072814 YYAFXLRSDZYTHE-UHFFFAOYSA-N 399.068 4.696 0 40 GJAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1cc3ccccc3cc1OC)n2C 100307200 GNFNDIIJXVIVJA-FCQUAONHSA-N 392.480 4.541 0 40 GJAB COc1ccc(CN2[C@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1OC(C)C 100765789 JSIMKAWAIIRDNQ-SFTDATJTSA-N 399.506 4.636 0 40 GJAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1[C@H](C)CCC[C@H]1C 102514670 ZREUTFRQWGQGFH-MCIONIFRSA-N 390.578 4.612 0 40 GJAB COc1ccc(C(=O)CC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 104274332 XKVKETOMYPBGRU-UHFFFAOYSA-N 394.254 4.563 0 40 GJAB Cc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)CCS1 219301218 AIAOVNOAAIFWTO-CQSZACIVSA-N 387.979 4.579 0 40 GJAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 222984686 DCDKBQGELZNOLN-LAUBAEHRSA-N 382.504 4.628 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 223000755 FIQVETFWGAMXIK-SFTDATJTSA-N 397.515 4.888 0 40 GJAB CCc1ccc(O[C@@H](CC)C(=O)NCCOc2cccc3ccccc23)cc1 223571045 JPGLYZRPVHRCHP-QFIPXVFZSA-N 377.484 4.755 0 40 GJAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 223620638 POURUJUJJGXTTB-OAHLLOKOSA-N 399.516 4.656 0 40 GJAB Cc1ccc(CNC(=S)Nc2ncc(Cl)c(C)c2Br)cc1 223942550 BDUAKFRDYBVAIR-UHFFFAOYSA-N 384.730 4.601 0 40 GJAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224256616 OTHXJMOWCIDACL-JOCHJYFZSA-N 394.559 4.650 0 40 GJAB CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 224411566 RUIBWTRAOHIMJI-IRLDBZIGSA-N 398.522 4.622 0 40 GJAB Cc1ccc(-c2nnsc2C(=O)NCc2ccc(Cl)cc2Cl)cc1 225773032 GRCFVAFIQDSGFV-UHFFFAOYSA-N 378.284 4.750 0 40 GJAB Cc1c[nH]nc1[C@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 257268115 MKHHDKYEZGWHAB-OAQYLSRUSA-N 375.472 4.811 0 40 GJAB CCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2OC)n(CC(C)C)n1 257287919 PSAGLWNKBAIZSX-UHFFFAOYSA-N 394.471 4.979 0 40 GJAB CC(=O)N1CC2=C(C1=O)[C@@H](C1CCCCC1)c1cn(C(C)C)c3cccc(c13)N2 263584925 CEWCMMOZSACDDB-NRFANRHFSA-N 391.515 4.954 0 40 GJAB biogenic CCCCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1CC 408560497 JELXAQPOHIEFMD-UHFFFAOYSA-N 387.336 4.678 0 40 GJAB O=C(Nc1ccc(NC(=O)c2cccnc2Cl)cc1)c1cc2ccccc2o1 408620692 ITHSGDRDFSWLKY-UHFFFAOYSA-N 391.814 4.986 0 40 GJAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1OC 409016700 GUKCFEFKLSCUMX-BTAWCLGRSA-N 383.897 4.971 0 40 GJAB O=C1N/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 409231286 IZHWBQXLTVDBIZ-LDADJPATSA-N 398.249 4.881 0 40 GJAB Cc1cc(O)nc2cc(NC(=O)C[C@H](c3ccsc3)n3cccc3)ccc12 524735491 FRXZQCARKGZVIS-LJQANCHMSA-N 377.469 4.730 0 40 GJAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cnc(C3CC3)o1)CC2 628120350 IYQKJTWDIJQHKM-OAQYLSRUSA-N 396.512 4.778 0 40 GJAB COc1cc(Br)ccc1NC(=O)[C@H](C)c1cn(C)c2ccccc12 1530441517 QVVPHOWUOLZHAY-GFCCVEGCSA-N 387.277 4.692 0 40 GJAB COc1ccc2nc(S[C@H](C)C(=O)c3ccccc3C(F)(F)F)[nH]c2c1 1640577735 LFQJLKLEGARFEC-SNVBAGLBSA-N 380.391 4.954 0 40 GJAB Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1C1CCCCC1 891539 ACOXSXYLINCOOJ-UHFFFAOYSA-N 399.347 4.900 0 40 GJAB COc1ccc([C@H](CCNCc2ccccc2)c2ccc3c(c2)OCO3)cc1 2137019 SYIISELPZHELBG-QFIPXVFZSA-N 375.468 4.736 0 40 GJAB biogenic C[C@@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1 2319274 LJMBTQFWGCRPKW-REWPJTCUSA-N 387.866 4.836 0 40 GJAB CC(C)c1ccccc1NC(=O)CSc1nnc2sc3ccccc3n12 3332182 SHYTUGQELUZRAE-UHFFFAOYSA-N 382.514 4.798 0 40 GJAB O=C(/C=C/c1ccc(F)cc1)Oc1cc(=O)n(-c2ccccc2)c2ccccc12 3414784 ZMVWZRUDUMNAPX-NTCAYCPXSA-N 385.394 4.749 0 40 GJAB Cc1ccc(-c2ccc(SCC(=O)Nc3nc4ccccc4s3)nn2)cc1 4356072 DHAFQIMPFHKMKL-UHFFFAOYSA-N 392.509 4.793 0 40 GJAB COc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1O 4689504 NEAVUHJEMWILNJ-WYMLVPIESA-N 385.423 4.525 0 40 GJAB Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc(N(C)C)cc3)nc2c1 4735068 QAMSRVWJJNMYQY-UHFFFAOYSA-N 386.455 4.848 0 40 GJAB aggregator Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccco2)n1C(C)C 4736099 ABWUUIMWCZXPIU-UHFFFAOYSA-N 390.896 4.812 0 40 GJAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(N3CCc4ccccc43)ncc21 4747485 WHWUZVCVDRVYCA-INIZCTEOSA-N 375.859 4.737 0 40 GJAB CNC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCCC2 5055784 WJBPVEHLVUNMKG-UHFFFAOYSA-N 396.434 4.648 0 40 GJAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cc(C)nc4ccccc34)c2=O)c1 5270096 IHJFWGKYZLGGDI-UHFFFAOYSA-N 397.478 4.622 0 40 GJAB Cc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2Cc2ccco2)c1 5429592 AJTVPDGSAZNTLZ-UHFFFAOYSA-N 389.480 4.870 0 40 GJAB Cc1ccc(OCCn2c(CCCNC(=O)C(C)(C)C)nc3ccccc32)cc1 5546002 JBZMYEGAPZSVRB-UHFFFAOYSA-N 393.531 4.519 0 40 GJAB COc1ccc(-c2cc(=O)oc3cc(OC(=O)c4cccs4)ccc23)cc1 5548491 YVZDAVHZOKCPLH-UHFFFAOYSA-N 378.405 4.749 0 40 GJAB biogenic CC(C)c1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 6307542 WVYCAABNAUYWAV-UHFFFAOYSA-N 386.908 4.979 0 40 GJAB COC(=O)C1=C(C)N(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C\c1cccs1 6348358 CSCTWTBIAXHOQS-GDNBJRDFSA-N 393.386 4.644 0 40 GJAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 6650986 XQBBYFRKTOLEOE-MOSHPQCFSA-N 392.480 4.974 0 40 GJAB O=c1[nH]c(CNCc2ccccc2Cl)nc2scc(-c3ccccc3)c12 6652446 DDHOXXWEOSQYRJ-UHFFFAOYSA-N 381.888 4.595 0 40 GJAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 6881147 FXTZGFJVUKMHSE-IBGZPJMESA-N 392.480 4.784 0 40 GJAB O=C(Nc1ccccc1)c1ccc(COc2cccc(N3CCCC3=O)c2)cc1 7064666 LORKHZVUDSCJJS-UHFFFAOYSA-N 386.451 4.645 0 40 GJAB Cc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 7602731 JPNSZJLESPBTAP-UHFFFAOYSA-N 395.315 4.879 0 40 GJAB CCCOC(=O)c1cccc(NC(=O)c2sc(-c3ccccc3)nc2C)c1 7995985 QUIZOXNJKNQMRC-UHFFFAOYSA-N 380.469 4.938 0 40 GJAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8103688 TWLOIQMXVXTRHH-HUUCEWRRSA-N 384.476 4.609 0 40 GJAB Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c(O)c1 8241644 UGMMGLBJWZFYOD-UHFFFAOYSA-N 389.480 4.926 0 40 GJAB Cc1ccc(NC(=O)CSCC(=O)Nc2cccc(Cl)c2C)c(C)c1 8289367 JZKPAHIWRJUGMO-UHFFFAOYSA-N 376.909 4.576 0 40 GJAB CCc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 9336507 ASOOVSYTIAGJGR-GOSISDBHSA-N 390.512 4.572 0 40 GJAB CC(=O)c1ccccc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 10681110 PVSGZFPQOZATRH-UHFFFAOYSA-N 388.427 4.727 0 40 GJAB CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 10972025 FDBLPCYJDYPIKW-UHFFFAOYSA-N 380.488 4.618 0 40 GJAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12682758 NDZUGOXLYJEPGN-OXQOHEQNSA-N 390.483 4.656 0 40 GJAB CC(C)c1ccccc1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 12756631 UWHZLNOUFZOZLK-UHFFFAOYSA-N 394.515 4.922 0 40 GJAB COc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)c(OC)c1 13820626 IVGCNRJBEXUTBS-UHFFFAOYSA-N 378.497 4.780 0 40 GJAB C=Cn1ncc(CN(Cc2ccc(OC)cc2)C2CC(C)(C)NC(C)(C)C2)c1C 13992592 KEDZLOMELBDCBY-UHFFFAOYSA-N 396.579 4.612 0 40 GJAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 13999545 DXZBIHBTVMWYHS-GOSISDBHSA-N 388.467 4.504 0 40 GJAB CCCCCn1nc(C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2c1=O 14095224 MDFVTQUMQOSTGW-UHFFFAOYSA-N 399.878 4.501 0 40 GJAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 14179659 YDWXRKXHJMACTA-UHFFFAOYSA-N 389.386 4.792 0 40 GJAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(N2CCOCC2)cc1 14399658 CTXRTZRIHGIGIK-UHFFFAOYSA-N 390.508 4.927 0 40 GJAB Brc1cc2c(cc1CN1CCC[C@@H]1c1cccs1)OCCO2 15301532 PFOPHXOGARGGLR-CQSZACIVSA-N 380.307 4.619 0 40 GJAB COc1ccc(C(=O)c2oc3cc(NC(=O)C(C)(C)C)ccc3c2C)cc1OC 15729355 LWHIVEQCPYCPBI-UHFFFAOYSA-N 395.455 4.974 0 40 GJAB biogenic COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)OCCCO4)s2)cc1 15810173 DOBZLVXDBBMBFP-UHFFFAOYSA-N 396.468 4.541 0 40 GJAB CCCC(=O)N1N=C(c2ccc(C)cc2)Sc2c1nc(C)n2C(=O)CCC 16777596 CWESIDCOHLBEIP-UHFFFAOYSA-N 384.505 4.541 0 40 GJAB Cc1cccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)c1 19235049 QEFKEMMGFCXPQK-YPAWHYETSA-N 396.600 4.919 0 40 GJAB Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3cccs3)N2)cc1 19322221 HYFASCUEGVCONF-UHFFFAOYSA-N 391.340 4.674 0 40 GJAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccncc3)cc2n1 19452370 LLPFYQPXMXWONH-QGZVFWFLSA-N 389.425 4.604 0 40 GJAB COc1ccc(-c2nc(NC(=O)C[C@@H](C)n3nc(C)cc3C)sc2C)cc1 19573141 ZHRMQRSWJCPTDY-CQSZACIVSA-N 384.505 4.530 0 40 GJAB Cc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1-c1ccc(CO)o1 20143197 IMHHPGUVCVZBMT-UHFFFAOYSA-N 397.299 4.695 0 40 GJAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 20492645 JKIMTPXJFTYRIM-LJQANCHMSA-N 394.515 4.644 0 40 GJAB Cc1noc(CSc2ccccc2C(=O)Nc2nc(C(C)(C)C)cs2)n1 22523191 XLIYQEFDNBSXHQ-UHFFFAOYSA-N 388.518 4.677 0 40 GJAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)N1CCSc2ccccc21 29936355 AQDLDIJQVZFHSE-NRFANRHFSA-N 398.528 4.705 0 40 GJAB O=C(Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1)c1ccc(F)cc1 32623056 DOGLRPGXOYCZGP-UHFFFAOYSA-N 377.350 4.934 0 40 GJAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCc4sccc4C3)c(C)c12 32901077 POLCYLVIPKEURE-UHFFFAOYSA-N 395.509 4.828 0 40 GJAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(Cl)cc1Cl 32911582 MDLNIBRULXNXFT-UHFFFAOYSA-N 388.298 4.850 0 40 GJAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)/C=C/c1cccs1 33094228 MBVOIULLVCNQOH-BVBGJJFLSA-N 395.311 4.698 0 40 GJAB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2c(F)cccc2Cl)S1 35648181 PUWJWECEABAZRF-OVCLIPMQSA-N 390.823 4.568 0 40 GJAB O=C(Cc1c[nH]c2ccccc12)N(Cc1cccc(Br)c1)C1CC1 45197075 COBLHRSTCACMSN-UHFFFAOYSA-N 383.289 4.664 0 40 GJAB CCC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078904 GIBZLEOKDVXDKO-OAHLLOKOSA-N 384.907 4.851 0 40 GJAB Cc1cc(C)c(C(=O)CCCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(C)c1 48276754 ZLTUMZZOTPQCSN-QFIPXVFZSA-N 397.490 4.704 0 40 GJAB C[C@H]1CCCCN1Cc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1 53721945 CQJSSSIPTIUMBK-KRWDZBQOSA-N 398.551 4.703 0 40 GJAB COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(CC(C)C)C4)cc1 54313700 ZGYYQNMUUDMTNT-UHFFFAOYSA-N 379.456 4.585 0 40 GJAB biogenic C[C@H](c1ccccc1)N(C)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 57358780 OZTYMLZXSCXFTG-CYBMUJFWSA-N 386.908 4.637 0 40 GJAB Cc1cccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(C)c(C)c2)c1 59502320 QQQUEAVXIBKJHS-UHFFFAOYSA-N 398.462 4.512 0 40 GJAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1cc2sc3ccccc3c2s1 69739332 BANUGWOLZIUZMR-NSHDSACASA-N 398.475 4.730 0 40 GJAB COC(=O)c1sc(NC(=O)c2cc(SC)ccc2Cl)nc1C(C)(C)C 72309308 ZYEXOOJOJDGHSB-UHFFFAOYSA-N 398.937 4.855 0 40 GJAB CC(C)c1nccn1-c1cncc([C@H]2CCCN(CCCc3ccccc3)C2)n1 72355477 UCEIBXLXBUTULG-NRFANRHFSA-N 389.547 4.598 0 40 GJAB O=C(CCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72358648 XMGJRLCKJHQCSD-LJQANCHMSA-N 389.474 4.622 0 40 GJAB COc1cc(C)ccc1CN1CCC[C@H]1c1cncc(Nc2ncccc2C)n1 72376392 NHBZVIWOJAHQSJ-FQEVSTJZSA-N 389.503 4.578 0 40 GJAB O=C(c1nc2ccccc2s1)N(CCc1cccs1)Cc1cccnc1 77183790 QFKGKQBDWLDIHT-UHFFFAOYSA-N 379.510 4.638 0 40 GJAB O=C([C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(Oc2ccccc2)CC1 84553549 OWUTVBCRAAFADW-MOPGFXCFSA-N 389.417 4.879 0 40 GJAB CCOc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1OCC 85385157 BSEMMDDULLRLFV-UHFFFAOYSA-N 377.366 4.955 0 40 GJAB Fc1ccc2ccnc(N3CCO[C@H](c4ccc(Br)cc4)C3)c2c1 89780931 YRMAHTUNPUKBTO-SFHVURJKSA-N 387.252 4.714 0 40 GJAB C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cncc(Br)c1Cl 95452779 ROAQSZMYGYTTCL-DGCLKSJQSA-N 394.700 4.907 0 40 GJAB Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc(-c4ccc(C)s4)[nH]n3)o2)cc1 95948754 KJEPRPNJTQPXIS-ZDUSSCGKSA-N 394.456 4.723 0 40 GJAB O=C(NCC1(Sc2ccccc2)CCOCC1)C12CC3CC(CC(C3)C1)C2 96331050 LTABYNOUAVDAIC-UHFFFAOYSA-N 385.573 4.661 0 40 GJAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1Sc1ccc(Cl)cc1 102844558 ZDVZMVOUUUFQCG-WXPXUSHHSA-N 399.899 4.953 0 40 GJAB COc1ccccc1N1C(=O)/C(=C\Nc2ccc(C)c(C)c2)c2ccccc2C1=O 102996412 AXDQPQBLBQIMOW-QNGOZBTKSA-N 398.462 4.952 0 40 GJAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](F)C(=O)C(F)(F)C[C@]4(C)[C@H]3CC[C@]12C 118926062 UFYRJOXAZPLNOO-WPMCEJCYSA-N 386.454 4.723 0 40 GJAB COc1ccc(/C=C/C(=O)N2CCS[C@H](c3cc(F)ccc3F)CC2)cc1 219332035 PKZDQZRBLDFOBH-ZTJJKMQJSA-N 389.467 4.693 0 40 GJAB CN(CCNC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 219770953 PVTNULDIJUPRJO-UHFFFAOYSA-N 394.902 4.785 0 40 GJAB COC(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 219841681 UMCUMUOMALYLOI-UHFFFAOYSA-N 395.842 4.958 0 40 GJAB CC(C)(C)c1ccccc1O[C@@H](Cc1ccc(Br)cc1)C(=O)O 225065567 KDVNYSYMYYJNAF-KRWDZBQOSA-N 377.278 4.821 0 40 GJAB CC(C)CSc1nnc(NC(=O)CSCc2ccccc2Cl)s1 225183716 XDARNYHWHUQWPB-UHFFFAOYSA-N 387.983 4.812 0 40 GJAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C(=O)OCC 225818878 FYNYLIREZBWTEX-JOCHJYFZSA-N 393.524 4.822 0 40 GJAB O=C(CCC1CCCC1)NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1 257344982 ZZLGNVZCYKQKMD-XUTJKUGGSA-N 392.547 4.899 0 40 GJAB CCCOC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 408622693 QPFKRUZVGGPSKI-UHFFFAOYSA-N 382.243 4.821 0 40 GJAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(C)cc3)sc2n1 408624266 VFHFJXYOTILOEW-UHFFFAOYSA-N 384.530 4.574 0 40 GJAB FC(F)(F)c1cc(Br)c2c(I)c[nH]c2c1 575440994 GHWHBTSNNBQKCA-UHFFFAOYSA-N 389.940 4.554 0 40 GJAB C[C@@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)c1ccccc1 656501286 ZUTJZVFWUFIVRD-LLVKDONJSA-N 388.290 4.598 0 40 GJAB COc1ccc(CCNc2ncnc3sc4c(c23)CCCCC4)cc1OC 710415 XJPDHGCEZMWYIE-UHFFFAOYSA-N 383.517 4.632 0 40 GJAB CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccco2)cc1 1001043 NFJDMCMQWQKNNI-QHCPKHFHSA-N 386.451 4.948 0 40 GJAB COc1cc2c(cc1OC)CN(C(=O)c1sc3ccccc3c1Cl)CC2 2240911 QPNSVSCTJKJOLZ-UHFFFAOYSA-N 387.888 4.770 0 40 GJAB CC[C@@H](C)COC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2378162 GXBPIBOOLRKLEI-CQSZACIVSA-N 380.492 4.875 0 40 GJAB O=C(c1ccc(Br)cc1F)c1ccccc1CN1CCCCC1 2515522 CCOBRYUEQRMGMO-UHFFFAOYSA-N 376.269 4.805 0 40 GJAB CCOC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 2780578 CUXNDQFGQMBBKY-ZBFHGGJFSA-N 381.398 4.844 0 40 GJAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 3324167 GNYIFNWDUWEAMH-UHFFFAOYSA-N 391.414 4.773 0 40 GJAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 4248114 POXYWMJMKOBUEY-QFIPXVFZSA-N 385.419 4.596 0 40 GJAB Cc1ccc(C)c(CN2C(=O)[C@@](O)([C@H](C)C(=O)c3ccccc3)c3ccccc32)c1 4556270 BSENLHIMHJMTQX-NIYFSFCBSA-N 399.490 4.557 0 40 GJAB COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3C(C)C)CC2=O)c1 5235937 BAMFYMPPMHJDPX-AWEZNQCLSA-N 383.879 4.800 0 40 GJAB Cc1cccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)c1 5532770 ZYYGXELJKASVGP-UHFFFAOYSA-N 375.284 4.918 0 40 GJAB COc1cc(NC(=O)COc2cc(C)ccc2C(C)C)c(OC)cc1Cl 5542765 UZPQOFFTSQOEOR-UHFFFAOYSA-N 377.868 4.807 0 40 GJAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1nnc(SCc2ccc(F)cc2)s1 5578846 SCDCOEAKIUPIBQ-MJBXVCDLSA-N 377.510 4.734 0 40 GJAB CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)oc2c1 6304962 YADKCMVFQWOTDT-XVNBXDOJSA-N 390.226 4.745 0 40 GJAB CCn1nccc1/C=C1/C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O 6490097 FCJZEZIAZQLHTC-LMHQLLPBSA-N 394.559 4.789 0 40 GJAB Cc1ccc2c(COC(=O)Cc3c(Cl)cccc3Cl)cc(=O)oc2c1 6504146 AVPIJTSGOKDVFI-UHFFFAOYSA-N 377.223 4.694 0 40 GJAB COc1ccc(OC)c(-n2c(SC(C)C)nnc2-c2c[nH]c3ccccc23)c1 6564062 QZNBHVGTKLGGPX-UHFFFAOYSA-N 394.500 4.933 0 40 GJAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1c(F)cccc1Cl 6566192 QZEDRYSETAJESE-LBTNJELSSA-N 384.875 4.569 0 40 GJAB CC(C)(C)c1ccc(Oc2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 6584312 STPNCFFZOIRROX-UHFFFAOYSA-N 390.483 4.797 0 40 GJAB COc1ccc(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)cc1OC 6661444 MGONOZIGPRQQQE-UHFFFAOYSA-N 379.460 4.811 0 40 GJAB C[C@@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1 6946989 IEERXSOTQSRBBQ-LLVKDONJSA-N 377.391 4.768 0 40 GJAB CC[C@H](C)c1ccc([C@@H](N[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 7719087 SAONAGZNCQTZJZ-HOIFWPIMSA-N 395.547 4.613 0 40 GJAB COc1ccc(C(=O)CCC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 8116731 SFFSFFAOKRIKNF-UHFFFAOYSA-N 392.480 4.519 0 40 GJAB Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCc3ccco3)cc12 8275299 YJHPTENMVOYILV-UHFFFAOYSA-N 385.876 4.614 0 40 GJAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(-c2ccccc2)cc1 8342091 FMBIZFJJDOPWTL-UHFFFAOYSA-N 385.467 4.531 0 40 GJAB Cc1ccc(CSc2nnc(NC(=O)[C@H](C)Oc3ccc(C)cc3)s2)cc1 8395320 IPRNVACRFDJGPY-HNNXBMFYSA-N 399.541 4.853 0 40 GJAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)N2C(=N1)Nc1ccccc12 8741305 SDHJBHNFMUHUDP-IBGZPJMESA-N 381.863 4.908 0 40 GJAB Cc1ccc(F)c(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)c1 9677799 QFVCZLRCRUUUDD-UHFFFAOYSA-N 393.340 4.774 0 40 GJAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1c[nH]c(=S)n1-c1ccccc1 12562095 OFKIELKRJCYLKK-UHFFFAOYSA-N 379.363 4.686 0 40 GJAB CCCCc1noc([C@@H](C)Sc2ncnc3c2cnn3-c2ccc(F)cc2)n1 12893242 VLXRJQQTJBKCHQ-GFCCVEGCSA-N 398.467 4.534 0 40 GJAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1Cl 12992621 USDSTANDUXKPEZ-UHFFFAOYSA-N 377.315 4.909 0 40 GJAB Cc1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 13057891 CTQAAAPAKQGARC-UHFFFAOYSA-N 398.450 4.805 0 40 GJAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1N1CCCC1=O 15614623 PJASFNGNAOCSOV-UHFFFAOYSA-N 386.879 4.573 0 40 GJAB CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1C(F)(F)F 19527219 NPYZBCWXTZPLCG-LJQANCHMSA-N 377.454 4.587 0 40 GJAB Cc1ccc(CSCC(=O)NCCSCc2ccccc2Cl)cc1 20237723 FEJYCAJWTNKSNS-UHFFFAOYSA-N 379.978 4.931 0 40 GJAB CCCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 27749486 GEQRJRKXHIPLEE-HSZRJFAPSA-N 380.532 4.741 0 40 GJAB O=C(CSc1nc2ccccc2s1)N(Cc1ccco1)Cc1ccco1 30471768 UFSOPYPHPYBDAP-UHFFFAOYSA-N 384.482 4.803 0 40 GJAB Cc1nc(-c2ccc(CC(=O)Nc3ccnn3Cc3ccccc3)cc2)cs1 31884635 RJRLOSQYKRORSI-UHFFFAOYSA-N 388.496 4.545 0 40 GJAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)o1 48285637 BYWDEMFIZKHZDH-UHFFFAOYSA-N 389.411 4.510 0 40 GJAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3C(F)(F)F)o2)cc1 63887880 AYLRKJUQTAFZEM-UHFFFAOYSA-N 390.361 4.940 0 40 GJAB COc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1OC 65091502 MCYYCGHBXGANCK-SFHVURJKSA-N 399.531 4.652 0 40 GJAB CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 65322262 XJOROYKSQBJMSO-UHFFFAOYSA-N 376.504 4.855 0 40 GJAB COc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c1 67296459 QSLAHHQIMAXKPU-BZZOAKBMSA-N 385.423 4.630 0 40 GJAB O=C(N[C@H]1C[C@H]1c1ccccc1)C1(c2ccc(Cl)cc2Cl)CCOCC1 67516519 YPKXMTSUBDLWLO-LPHOPBHVSA-N 390.310 4.714 0 40 GJAB Fc1ccccc1CN1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 72369949 PBSNXZWMVKKREJ-HNNXBMFYSA-N 391.368 4.884 0 40 GJAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C)n2)C12CCCC2 79495415 CIVXLHSFBZBSFR-LAUBAEHRSA-N 391.515 4.679 0 40 GJAB CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)Nc2nc(-c3cccnc3)cs2)c1 95962331 KOOSIZQJPYKQAL-UHFFFAOYSA-N 398.463 4.581 0 40 GJAB O=C(c1ccccc1)N1CCC[C@@H]1c1nnn2cc(-c3cccc(F)c3)ccc12 96267896 ZDYRRLUITHWDNW-HXUWFJFHSA-N 386.430 4.513 0 40 GJAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Sc1ccccc1)OC2=O 100261094 HLUUFFCBFRTJKO-VXKWHMMOSA-N 381.497 4.898 0 40 GJAB O=C(Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1)N2)c1cccs1 100998301 AXZDFUDYASGPCU-SFHVURJKSA-N 399.479 4.648 0 40 GJAB O=C(Nc1c(NCc2ccccc2)c2ccccc2oc1=O)c1cccs1 101094854 UZMUNSAZIMUJNA-UHFFFAOYSA-N 376.437 4.719 0 40 GJAB CCC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118925179 PXAQXJHLKRPDJD-FDJNUPQUSA-N 388.548 4.735 0 40 GJAB Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)Nc2ccc(C)cc2C)c(C)c1 141623046 ULDQHPQNJAAZIP-BZRIBIQUSA-N 388.511 4.936 0 40 GJAB CSc1cccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c1 218835374 NDLBTTZALZKFCF-UHFFFAOYSA-N 380.307 4.805 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1Cl 219547724 GHXAUONRIOSUDO-CQSZACIVSA-N 375.852 4.540 0 40 GJAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)c(C)c1 222799934 BLWFVNTVBJKQTM-VQTJNVASSA-N 396.947 4.827 0 40 GJAB CC1CCN(Cc2ccc(C(=O)Nc3nnc(SC(C)C)s3)cc2)CC1 223322646 RXMDIIZNUHBIAP-UHFFFAOYSA-N 390.578 4.523 0 40 GJAB Cc1ccc(CNC(=S)Nc2ncc(Br)c(C)c2Cl)cc1 223942641 BXEWOMDKCWXWDZ-UHFFFAOYSA-N 384.730 4.601 0 40 GJAB CCCOCc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC 224410871 UPMICIDYVKKQOE-UHFFFAOYSA-N 382.287 4.859 0 40 GJAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c(C)c1C 225471193 KCTIMYFRKXYOBM-HSZRJFAPSA-N 395.524 4.688 0 40 GJAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1 225496139 QVJZQWFUKNBTTL-REWPJTCUSA-N 394.559 4.650 0 40 GJAB CC(=O)c1ccc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)s1 225671835 SNISTENIWZNECQ-UHFFFAOYSA-N 375.921 4.775 0 40 GJAB CC(C)c1ccccc1OCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225849424 KDAZQVSWDSYSMS-UHFFFAOYSA-N 387.892 4.999 0 40 GJAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCC(C)CC2)c(Br)c1 226284929 MQSQFHXDWWGCNS-UHFFFAOYSA-N 393.247 4.601 0 40 GJAB COc1ccc(-n2c(C)nnc2SCc2ccc(Br)cc2)cc1 409101111 VJZFXQBZBYPTHJ-UHFFFAOYSA-N 390.306 4.639 0 40 GJAB NC(=O)/C=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1 409416232 LMJUEWFJFPMLOS-LUAWRHEFSA-N 382.257 4.680 0 40 GJAB COc1ccc(-c2cc(NC(=O)N3CC[C@@H]4C[C@H]4C3)ccc2OC(F)F)cc1 585099371 BVRDMJXORMJJPD-CABCVRRESA-N 388.414 4.837 0 40 GJAB Cc1[nH]nc2ccc(-c3cncc(OC[C](N)Cc4c[nH]c5ccccc45)c3)cc12 1560411718 DZGNTENZAOKHFB-UHFFFAOYSA-N 396.474 4.527 0 40 GJAB Cc1ccc(C(=O)N(Cc2ccccc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 790333 RHJUMZALMDMWDX-UHFFFAOYSA-N 396.490 4.988 0 40 GJAB O=C(CSc1nnc(COc2cccc3ccccc23)o1)c1ccc(F)cc1 875902 CUNGZXUSHSZGOL-UHFFFAOYSA-N 394.427 4.916 0 40 GJAB CCSc1nnc2c(n1)O[C@@H](c1ccc(SC)cc1)Nc1ccccc1-2 996497 LELGAMGQFDAVAC-KRWDZBQOSA-N 382.514 4.876 0 40 GJAB O=C(Cc1cccs1)N(c1nnc(-c2ccc(F)cc2)s1)C1CCCC1 1345227 AIBISHUGBKHVNY-UHFFFAOYSA-N 387.505 4.924 0 40 GJAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl 2351721 PIKNGVJZUILGDT-MZNJEOGPSA-N 388.231 4.690 0 40 GJAB O=C(Nc1ccc(F)cc1F)c1nnsc1Sc1ccc(Cl)cc1 3105650 WZTJGTRXOJYOIH-UHFFFAOYSA-N 383.832 4.873 0 40 GJAB O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccc(C(F)(F)F)cc1 3198982 FSFWMCVESLXREJ-BQYQJAHWSA-N 399.294 4.932 0 40 GJAB COc1cc(Cl)c(C)cc1NC(=O)CN(C)Cc1c(F)cccc1Cl 3433277 KSSUCDBGDJZHIF-UHFFFAOYSA-N 385.266 4.520 0 40 GJAB Fc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)cc1 4598319 XVMWYPXANHPGBF-UHFFFAOYSA-N 379.247 4.749 0 40 GJAB C[C@@H](Oc1ccc(F)cc1)c1nn2c(Cc3ccc(Cl)cc3)nnc2s1 4667834 QURMIXRZTSUTQA-LLVKDONJSA-N 388.855 4.709 0 40 GJAB C[C@H](c1ccccc1)n1c(CCNC(=O)C2CCCCC2)nc2ccccc21 4906613 PNLIKNYEMNYTKQ-GOSISDBHSA-N 375.516 4.885 0 40 GJAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1C 5210423 SMZBVPJICZPPJY-OAHLLOKOSA-N 399.516 4.646 0 40 GJAB COc1ccc2nc3c(cc2c1)c(NC(=O)C1CCCCC1)nn3CC(C)C 5561018 BSUDFUHHUIGJQI-UHFFFAOYSA-N 380.492 4.768 0 40 GJAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1ccc(OC)cc1 6026517 DQCJHYKTYDMKOX-HXUWFJFHSA-N 396.512 4.813 0 40 GJAB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c2C)cc1 6329513 HNKSPWWQZVPACA-IHCKBCKSSA-N 391.515 4.705 0 40 GJAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@H]3CCCC[C@@H]3C)c2n1 6547131 URMJRJFLOISXIV-ZBEGNZNMSA-N 381.303 4.924 0 40 GJAB Cc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)n1 6814999 DCXQJCOTKMQQCC-OVCLIPMQSA-N 379.268 4.933 0 40 GJAB N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)NC1CCCC1 6971860 OVXNNUODFGPQEY-MOSHPQCFSA-N 394.478 4.527 0 40 GJAB CCCOc1cc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)ccc1OC 7699678 WHVZPJJOGBNQTQ-RVDMUPIBSA-N 396.874 4.792 0 40 GJAB Cc1ccc2nc(-c3ccccc3)c(CSc3nnnn3C3CCCC3)n2c1 8307763 VYXGLCVTQMPULD-UHFFFAOYSA-N 390.516 4.704 0 40 GJAB Cc1ccc2nc(CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)cn2c1 8424684 SFMSJYOOKAEMOJ-UHFFFAOYSA-N 397.813 4.650 0 40 GJAB COc1ccc(OC)c(/C=C2/SC(Nc3ccc(F)c(Cl)c3)=NC2=O)c1 8472729 IJUOJCZMMCZEQZ-LZYBPNLTSA-N 392.839 4.579 0 40 GJAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 9051101 WMVHFLAFNXLILG-SFHVURJKSA-N 395.528 4.669 0 40 GJAB O=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 9190332 JOSKBDVPLMVXHZ-UHFFFAOYSA-N 394.858 4.539 0 40 GJAB Cc1cccc(OCc2nc(C)c(C(=O)N[C@@H](C)c3ccc(F)cc3)s2)c1 9251023 FSTYSINXAYXMQY-AWEZNQCLSA-N 384.476 4.969 0 40 GJAB CC(C)[C@H](NC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 9793154 GUQACAHXRLODMZ-BTYIYWSLSA-N 386.467 4.697 0 40 GJAB Cc1ccc(N2C(=O)N(Cc3cccc(C)c3)c3ccccc3S2(=O)=O)cc1 10272714 LDPJGFYPYGDOCB-UHFFFAOYSA-N 392.480 4.639 0 40 GJAB COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2Cc1ccc(Cl)cc1 12397195 KBKGTFVZQITEDR-UHFFFAOYSA-N 391.858 4.895 0 40 GJAB Cc1ccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c(Br)c1 12737778 BJBKDRMLJRDHOM-INIZCTEOSA-N 390.277 4.568 0 40 GJAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccccc1Br 13679749 LVLGBYTYEMCALQ-UHFFFAOYSA-N 395.105 4.698 0 40 GJAB COc1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccs2)cc1 14124408 VIODAWCXYRKIAR-UHFFFAOYSA-N 375.497 4.899 0 40 GJAB Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@H](c3cccs3)C2=O)c1C 15413635 FWNSNJNJKLPDJD-OAQYLSRUSA-N 394.471 4.625 0 40 GJAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)c(OC)c1 15953695 HHQJJPINVCIKAC-ZKMPZPQNSA-N 395.543 4.881 0 40 GJAB biogenic COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757558 JYZSNMAXSCIODQ-HNNXBMFYSA-N 389.480 4.741 0 40 GJAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(Cc4cccnc4)C3)noc2n1 19522020 MTXQUXRIBWFQOP-AWEZNQCLSA-N 390.409 4.579 0 40 GJAB COc1ccccc1CN1CCC[C@H]1c1nnc(-c2nccc3ccccc23)o1 19570381 COWBIGYCDIDTOP-IBGZPJMESA-N 386.455 4.631 0 40 GJAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)c(Cl)c1 20454041 XOZQROKUEPVXBQ-CYBMUJFWSA-N 377.893 4.777 0 40 GJAB CCCc1nnc2sc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)nn12 20609626 ZUUUOSMTNVBJMC-UHFFFAOYSA-N 397.891 4.711 0 40 GJAB Cn1cc(NC(=O)/C=C/c2ccc(-c3cccc(Br)c3)s2)cn1 25310618 CPOPOHVRLVEYBG-SOFGYWHQSA-N 388.290 4.563 0 40 GJAB COc1ccc2cc(CN(C)C(=O)c3cccnc3SC(F)F)ccc2c1 25680701 QZDVUWOOMCZDSK-UHFFFAOYSA-N 388.439 4.830 0 40 GJAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 32796604 FEAPSBCQSPYLMD-HNNXBMFYSA-N 397.906 4.984 0 40 GJAB Cc1ccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCO5)c(C)c1 35310928 YVMKFCVVRRUXMH-UHFFFAOYSA-N 391.452 4.630 0 40 GJAB COc1ccc(-n2nnnc2C2(Nc3ccc(Cl)cc3)CCC(C)CC2)cc1 35622164 FSFBDORZFKPRRW-UHFFFAOYSA-N 397.910 4.842 0 40 GJAB CC(=O)c1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 37212946 JHKCVPMMUZVHHB-OAQYLSRUSA-N 396.537 4.598 0 40 GJAB C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)Nc1nccs1 42757422 VEETVYZRJXFMBE-CQSZACIVSA-N 377.473 4.707 0 40 GJAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1sc(-c2ccccc2)nc1C 44736710 NWAXFXLYTZTACH-UHFFFAOYSA-N 391.496 4.571 0 40 GJAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 44915940 MLWGIEAXQQJBHP-UHFFFAOYSA-N 395.462 4.723 0 40 GJAB CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccccc2OC)cn1 47321931 NJRYJYNRUBLUFN-UHFFFAOYSA-N 393.443 4.603 0 40 GJAB COc1ccc(NC(=O)[C@H](NCc2cccs2)c2ccccc2)cc1Cl 57024550 QTECOGXLLVSZKI-LJQANCHMSA-N 386.904 4.880 0 40 GJAB O=C(c1ccc(Cl)cc1)N1CCC[C@H]1[C@@H]1CCCN(Cc2ccccc2)C1 58341563 GWAUMLQKPZBCMR-IRLDBZIGSA-N 382.935 4.857 0 40 GJAB Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc(-c2ccc(F)cc2)n1 67257153 YFLZCUXZRYZFDP-UHFFFAOYSA-N 387.867 4.975 0 40 GJAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Cn2ccnc2)cc1 69538000 PXOUMQFSSIWRED-XMMPIXPASA-N 381.479 4.645 0 40 GJAB CCc1ccc(CNC(=O)c2sc(NCCc3ccccc3)nc2C)cc1 71326472 HDGQQNJPOHOOLR-UHFFFAOYSA-N 379.529 4.599 0 40 GJAB Cc1cc(C[C@@H](C)NC(=O)Cc2ccc3ccccc3c2)n(-c2ccccc2)n1 84105212 AKXPRNZNEKIGKF-GOSISDBHSA-N 383.495 4.624 0 40 GJAB CN(C(=O)Oc1ccccc1)c1ccc(OCc2noc3c2CCCC3)cc1 89365316 XOVISKFEHHWUAR-UHFFFAOYSA-N 378.428 4.768 0 40 GJAB Cc1cc(C(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)c2c(C)noc2n1 89582881 YPUPALWEYJIQBG-UHFFFAOYSA-N 396.447 4.587 0 40 GJAB COc1ccc(-c2noc([C@@H](C)NCc3cccc(Cl)c3)c2C(=O)O)cc1 96296886 OOGIIAPQPDUUCX-GFCCVEGCSA-N 386.835 4.553 0 40 GJAB biogenic,in-vitro Cc1ccc(-c2ncc(CN3CCC[C@@H](c4nnc5ccccn45)C3)s2)cc1 97032579 LQDODGXWDUYLRB-GOSISDBHSA-N 389.528 4.541 0 40 GJAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@@H](c4cccnc4)C3=C(O)C2)cc1 102721978 QSQZKWXPNBEXBZ-IIBYNOLFSA-N 387.439 4.994 0 40 GJAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 222930159 NFJYNDWBYFEHSO-HTAPYJJXSA-N 399.531 4.734 0 40 GJAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C(C)C 222979167 CIHJWKHVSLKFEI-INIZCTEOSA-N 387.545 4.737 0 40 GJAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 223004378 IBDQHVKUXBGWIA-KRWDZBQOSA-N 399.516 4.621 0 40 GJAB CCc1ccc(CC)c(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 223185966 PNKGNKRKYZYRGR-UHFFFAOYSA-N 386.344 4.738 0 40 GJAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(C)cc1 224123844 ZXVFSZBBFPYXBK-UHFFFAOYSA-N 377.440 4.844 0 40 GJAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1cccc2ccccc12 224636906 NMKYBOWZVMCPAM-KRWDZBQOSA-N 393.483 4.582 0 40 GJAB CC(C)n1c(=O)sc2cc(NC(=O)COc3ccc4ccccc4c3)ccc21 225176552 FVBYHBUAALLNGN-UHFFFAOYSA-N 392.480 4.815 0 40 GJAB CCOc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1 225303324 VTEIAIQSZHZIAK-UHFFFAOYSA-N 380.966 4.959 0 40 GJAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1 225334285 XCAFWZHLMHHBAG-VQTJNVASSA-N 379.485 4.639 0 40 GJAB CCCOc1c(C)cc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C 225572802 VEYNDNAGACANER-UHFFFAOYSA-N 385.479 4.918 0 40 GJAB O=C(COc1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1 225812937 LQFJKNIYRQCUSV-UHFFFAOYSA-N 385.385 4.990 0 40 GJAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 225845990 ZKGIBEAOCUMQAI-JOCHJYFZSA-N 393.524 4.966 0 40 GJAB CC(C)COc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)c2ccccc12 225914564 AQKJADVMTSRPEA-UHFFFAOYSA-N 385.504 4.848 0 40 GJAB CC(C)c1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1 408629098 ZEQAEHOIVXUSSV-UHFFFAOYSA-N 383.300 4.949 0 40 GJAB Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 409135797 VZXDPOOIMKONTC-WEVVVXLNSA-N 375.299 4.664 0 40 GJAB