smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)[C@@]1(C)C(/N=N/c2ccccc2OC)=C(O)C(=O)N1c1ccccc1 101817966 UYNUWBUJOFIREO-FBNDGMMSSA-N 395.415 3.917 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)c3ccccc3C2=O)N1 587824113 ULWRGUMZWZXXPM-GIGQVBGESA-N 388.236 3.787 10 1 GHCF Cc1ccnc2c1CCN[C@@]2(CCCCCC(=O)O)c1ccc(N(C)C)cc1 963067331 JJQNFRIYESEIAD-QHCPKHFHSA-N 381.520 3.880 10 1 GHCF COC(C=CC(=O)O)=CC(C)=C[C@@H]1CCCC(O)=C1c1cc(O)c(O)cc1O 2356422094 FMIWXSPMLUIMQU-ZDUSSCGKSA-N 388.416 3.990 10 1 GHCF CCN(CC)C(=O)Sc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103265448 WJWNIFJAKFKSEJ-UHFFFAOYSA-N 379.441 3.892 10 1 GHCF COc1cc(O)cc(O)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587806223 JCDZKUPGBHKURH-LZVRBXCZSA-N 396.256 3.806 10 1 GHCF O=C(Nc1ccccc1)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 6096834 WFYDBDOXSCEPSH-UHFFFAOYSA-N 379.504 3.836 10 1 GHCF CCNC(=O)Oc1ccc2c(c1)CN1CCc3c([nH]c4ccccc34)[C@H]1N2C 169341050 DYFMOUXCERYGJQ-NRFANRHFSA-N 376.460 3.783 10 1 GHCF CC(=O)OC[C@@H](C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 59025959 FEQWVRKYPKUGSZ-CKRFGLGXSA-N 390.476 3.859 10 1 GHCF Cc1c(C)c2c(c(-c3cn(Cc4ccc(O)c(O)c4)nn3)c1O)CCC(C)(C)O2 49803679 YHXLJJFXFMRCQZ-UHFFFAOYSA-N 395.459 3.831 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(CN(C)C)c2)N1 587738785 CWXGUCMQORBUME-NSPYISDASA-N 393.300 3.979 10 1 GHCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2Cl)cc1 73276676 CZRNQAKJYPCPSI-UHFFFAOYSA-N 398.846 3.922 10 1 GHCF Cc1ccc2[nH]c(O)c(N=NC(=O)[C@H](C)n3cnc4ccccc4c3=O)c2c1 253966687 IGHATCZBUMGPDE-LBPRGKRZSA-N 375.388 3.763 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C(=O)c3ccccc32)N1 587824583 XONLWQNGXWVJJR-GIGQVBGESA-N 388.236 3.522 10 1 GHCF COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccccc2O)C3)n1 55099063 IDZHCPIINPWQAR-UHFFFAOYSA-N 392.455 3.866 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(CN(C)C)c2)N1 587738787 CWXGUCMQORBUME-WYRIXSBYSA-N 393.300 3.979 10 1 GHCF O=C(CCc1ccc(NC(=O)c2ccccc2O)cc1)Nc1ccc(O)c(O)c1 13535930 YDYJIUIHIOKULF-UHFFFAOYSA-N 392.411 3.627 10 1 GHCF COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(N3CCOCC3)cc2)c1 169723234 QADGKIIUWMDTER-XTQSDGFTSA-N 379.420 3.631 10 1 GHCF O=C1CC=Cc2cc(O)c(O)c(O)c2[C@@]12NCCc1cc(-c3ccccc3)ccc12 962672128 VWOGONUZYUEMPC-VWLOTQADSA-N 399.446 3.846 10 1 GHCF CC(=O)O[C@@H](C)c1csc2c1C(=O)c1sc([C@@H](C)OC(C)=O)cc1C2=O 1636044 YTSZWYKKYYULHX-JGVFFNPUSA-N 392.454 3.833 10 1 GHCF CN(c1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1 169700750 SDXSOZQUISXZFG-UHFFFAOYSA-N 396.458 3.771 10 1 GHCF COc1cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)cc4)C[C@@H]3O2)cc(O)c1O 2356373196 UGUFBLZTUREIGQ-LKGZUJRASA-N 386.444 3.587 10 1 GHCF Cc1cc(C)c2nc(Cl)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2c1 169350391 BCAUCMLJRBIYSS-SDQBBNPISA-N 392.889 3.791 10 1 GHCF Cc1ccc([N+](=O)[O-])cc1N[C@@H]1[C@H]2C(=O)C(=O)c3ccccc3[C@H]2OC1(C)C 45287703 UIUSKAFVOLYMHU-PWIZWCRZSA-N 380.400 3.615 10 1 GHCF C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3)C2)cc1 142180108 GCEPDPUDGADINQ-INIZCTEOSA-N 395.503 3.828 10 1 GHCF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587265200 UVZHRRFHIRACGG-OAUYIBNBSA-N 394.431 3.598 10 1 GHCF CC[C@]1(c2c(O)cc(O)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587822800 RDDRPVRJVFQKSN-LZVRBXCZSA-N 396.256 3.893 10 1 GHCF Nc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)cc1 72126290 RMOFJHOTYDPKNB-UHFFFAOYSA-N 376.441 3.788 10 1 GHCF CN1CCN(c2ccc3nc(-c4ccc(OCCN=[N+]=[N-])cc4)[nH]c3c2)CC1 199833660 BEKZFGVCQDFVGK-UHFFFAOYSA-N 377.452 3.671 10 1 GHCF CNCCCn1c2c(c3ccc(Br)cc3c1=O)C(=O)c1ccccc1-2 95583225 GPSAPEUJBIKRMJ-UHFFFAOYSA-N 397.272 3.585 10 1 GHCF O=Cc1cccc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1O 962948571 BYDAXSCCJPZJOB-GOSISDBHSA-N 391.389 3.964 10 1 GHCF CC(=O)C[C@@H]1C[C@@H](C)CC(=O)[C@@]1(CCCN=[N+]=[N-])S(=O)(=O)c1ccccc1 36387410 GLHZWNJHZRCEBV-ALKREAHSSA-N 391.493 3.884 10 3 GHCF O=C(O)CCN1C(=O)/C(=C/c2cc3ccccc3nc2Cl)SC1=S 1772604537 AXCUQIGAJISBMG-WQLSENKSSA-N 378.862 3.564 10 1 GHCF CC(C)Cn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@H](C)[C@H](C)O)CN(C)[C@@H]1C2 169692492 NRMCOBVLHDZQFD-FQARZXJGSA-N 398.547 3.570 10 1 GHCF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccc(N(C)C)cc3)ccc12 96905460 RTBZVZAPWRXQLQ-OAQYLSRUSA-N 379.485 3.681 10 1 GHCF CC(=O)O[C@@H](C)c1cc2c(s1)C(=O)c1c([C@H](C)OC(C)=O)csc1C2=O 1636043 YTSZWYKKYYULHX-YUMQZZPRSA-N 392.454 3.833 10 1 GHCF CC1=NN(c2ccccc2F)C(=O)/C1=C/c1cn(C[C@H]2CO2)c2ccccc12 653722459 LSEUHCQWORVKNF-HKJBKDEOSA-N 375.403 3.985 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=N)N)cc3[nH]1)[C@@H]1CC=C[C@H]21 587275247 ANFDKCMTTWHHTE-KSMMKXTCSA-N 388.431 3.890 10 1 GHCF NC(=S)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cccc(F)c2)c1O 169312533 XBCYHCAHSNOOEO-FMQUCBEESA-N 386.368 3.810 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(N)c(N)cc3[nH]1)[C@H]1CC=C[C@@H]21 587276035 IBOVAQAMZSEVAD-UFYHVXEKSA-N 376.420 3.770 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc([N+](=O)[O-])c2O)N1 587719148 KPKZWBXMACYYAZ-NZFNHWASSA-N 399.191 3.965 10 1 GHCF Oc1ccc([C@@]2(c3cccnc3)c3ccc(F)cc3C[C@H]3CCCN32)c(O)c1 963094550 CGPHDQSJQMCKMZ-WZONZLPQSA-N 376.431 3.944 10 1 GHCF Nc1ccc(Oc2ccc3nc(CNc4ncccc4[N+](=O)[O-])[nH]c3c2)cc1 587268835 LWGVZYIDCHPSLB-UHFFFAOYSA-N 376.376 3.853 10 1 GHCF C[C@H]1CC(C)(C)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 13339835 BTFODKJEEKUOHG-VIFPVBQESA-N 384.384 3.947 10 1 GHCF biogenic O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccccc3[N+](=O)[O-])c12 72176664 BCBIIKXOEGCIOW-UHFFFAOYSA-N 395.323 3.550 10 1 GHCF O[C@H](COc1ccc2c(c1)CCCN2Cc1ccccc1)CN1CCCCC1 45497097 NESVBNRWYBWDCE-QFIPXVFZSA-N 380.532 3.865 10 1 GHCF CC1=NN(c2cccc(F)c2)C(=O)/C1=C/c1cn(C[C@@H]2CO2)c2ccccc12 653919297 UGNKBECWYBJQQQ-DZZWEGAPSA-N 375.403 3.985 10 1 GHCF COc1cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587806168 IJZNYOVJPUEGFG-YYSFKGJASA-N 396.256 3.935 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2O)OCO3)N1 587836433 USKBDSDYIBCMQB-RBHXEPJQSA-N 380.213 3.646 10 1 GHCF O=C(O)c1cccc2c1CCN[C@H]2c1c(Br)ccc(Cl)c1O 963125271 SPBOXDGRANOIRY-CQSZACIVSA-N 382.641 3.741 10 1 GHCF O=C(NCCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O 13861846 NWPOOMNWBCXQHP-UHFFFAOYSA-N 392.455 3.778 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])ccc2O)N1 587748807 WNMRJNISLZCWQY-XLFHBGCDSA-N 395.228 4.000 10 1 GHCF COc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587806229 JFANXAFRQQGPKB-YYSFKGJASA-N 396.256 3.935 10 1 GHCF COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(CN4CCCCC4)c1)[C@@H](C2)C3=O 587440564 BILLGLOZSCJJQC-MBSDFSHPSA-N 379.456 3.875 10 1 GHCF O=C(O)CCC1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccccc1O 64251841 CSAQGCUTNBOCTJ-GOSISDBHSA-N 388.876 3.841 10 1 GHCF COC(=O)c1ccc(Cc2ccc3c(c2O)C(=O)c2sccc2C3=O)cc1 299831725 DVOSGDNIOZZGTC-UHFFFAOYSA-N 378.405 3.607 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(CN(C)C)c2)N1 587738784 CWXGUCMQORBUME-JEOXALJRSA-N 393.300 3.979 10 1 GHCF CN(C)c1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1 1857607603 QSJWHLQITDTDHF-UHFFFAOYSA-N 384.495 3.838 10 1 GHCF O=C(Cn1ccnc1)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc(Cl)ccc1O 299866447 PAKHKDZZECJLGS-SFHVURJKSA-N 398.825 3.759 10 1 GHCF O=C(CCSC(=S)NCc1cccnc1)c1c[nH]c2nc(Cl)ccc12 1857573539 UFCUXJLYEXQSBE-UHFFFAOYSA-N 390.921 3.992 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2O)OCO3)N1 587836434 USKBDSDYIBCMQB-WNWIJWBNSA-N 380.213 3.646 10 1 GHCF Cc1ccc(-n2[nH]c(C)c(C/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2=O)cc1 169692237 ACPDVQYMWYMQFM-FMQUCBEESA-N 396.363 3.883 10 1 GHCF [N-]=[N+]=NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2 27198812 LXCKTBKQPKICDR-UHFFFAOYSA-N 375.344 3.822 10 1 GHCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2C)cc1 71280827 LWKZLPKEMLBDSW-UHFFFAOYSA-N 378.428 3.577 10 1 GHCF COC(C=CC(=O)O)=CC(C)=C[C@H]1CCCC(O)=C1c1cc(O)c(O)cc1O 2356422093 FMIWXSPMLUIMQU-CYBMUJFWSA-N 388.416 3.990 10 1 GHCF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(O)c1O 587596090 UNBBGGICLIMUGZ-LAUBAEHRSA-N 380.352 3.515 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C(=O)c3ccccc32)N1 587824584 XONLWQNGXWVJJR-OVWNDWIMSA-N 388.236 3.522 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)cc2[N+](=O)[O-])N1 587748083 SFYMDRQMFGFECM-QZTNRIJFSA-N 397.200 3.531 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)c([N+](=O)[O-])c2)N1 587748066 UFDAQZQQRVTSPR-ZIDLFYJRSA-N 397.200 3.531 10 1 GHCF O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccc([N+](=O)[O-])cc3)c12 72176353 RQJTWJWJAIBQAD-UHFFFAOYSA-N 395.323 3.550 10 1 GHCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2Sc2ncc[nH]2)cc1 28950843 IGTNIAURELZHBM-LJQANCHMSA-N 397.456 3.892 10 1 GHCF O=c1oc2cc(O)ccc2c2oc3cc(O)c(O)c(CN4CCCCC4)c3c12 1857620983 MNYZBQCKWYZIQV-UHFFFAOYSA-N 381.384 3.795 10 1 GHCF COc1cc(C[C@@H](O)c2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 1857641708 MROIUHYZSRCNAY-LJQANCHMSA-N 386.448 3.878 10 1 GHCF O=S(=O)(Nc1nccs1)c1ccc(NCc2ccc(Cl)cc2O)cc1 103265815 ZIAOGRWPRIZWHR-UHFFFAOYSA-N 395.893 3.915 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])ccc2O)N1 587748809 WNMRJNISLZCWQY-XYZCENFISA-N 395.228 4.000 10 1 GHCF COc1cc(O)c2c(c1Br)C(=O)N1c3ccc(C)cc3CO[C@H]21 28951057 XTJAKHLIYORKLK-QGZVFWFLSA-N 376.206 3.661 10 1 GHCF C[C@@H]1CCCCN1Cc1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 72142522 RXMXCZDBFKUQIM-CYBMUJFWSA-N 381.428 3.951 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)O)ccc2O)N1 587819861 BVLGPDUILTUNHM-PWJLMRLQSA-N 380.213 3.616 10 1 GHCF O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@H]1c1ccccc1O 103211770 KPOFIERWTNDOMN-IBGZPJMESA-N 383.411 3.655 10 1 GHCF Cc1c(O)cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587823252 SXFYBXQQWJUQRV-VGDKGRGNSA-N 382.229 3.637 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(O)cc2O)N1 587747086 PCEPNIOHNVZFTF-VGDKGRGNSA-N 397.200 3.531 10 1 GHCF Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc(C3=S=CC=C3)ccc12 1857744898 GLILTGSWVYKJSR-UHFFFAOYSA-N 396.453 3.665 10 1 GHCF Oc1c(Cl)cc(Br)cc1[C@@H]1NCCc2nc3ccccn3c21 962981039 CZNFJSCHWGSSTD-AWEZNQCLSA-N 378.657 3.691 10 1 GHCF O[C@@H](COc1ccc2c(c1)CCCN2Cc1ccccc1)CN1CCCCC1 45497094 NESVBNRWYBWDCE-JOCHJYFZSA-N 380.532 3.865 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc([N+](=O)[O-])c2O)N1 587746639 NFJXJIKEHDVTIB-VVVCHXIZSA-N 395.228 4.000 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc([N+](=O)[O-])c2O)N1 587745633 JZYYJVRCKNMYAI-ANRSDYALSA-N 381.201 3.826 10 1 GHCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2Sc2ncc[nH]2)cc1 28950842 IGTNIAURELZHBM-IBGZPJMESA-N 397.456 3.892 10 1 GHCF CCNC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCC)cc3)C2)cc1 142290358 GTXWYOBZYMIBLP-INIZCTEOSA-N 383.492 3.733 10 1 GHCF CO[C@H]1c2c(O)c(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@H]1OC3=O 257470461 LBJNLIBZUVWVTE-NTLWEQJWSA-N 376.449 3.617 10 1 GHCF endogenous,in-man CC(=O)OC[C@H](C)c1cc2c(c(O)c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 14774243 FEQWVRKYPKUGSZ-IEBOFQNGSA-N 390.476 3.859 10 1 GHCF biogenic Cn1c(-c2ccc(CN3CCCC3)cc2)cc2onc(-c3cccnc3)c2c1=O 1772601253 DGOWURIGKZVYJU-UHFFFAOYSA-N 386.455 3.851 10 1 GHCF N[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(F)cc1F 587151112 QFVGXURAOFKRTH-SFHVURJKSA-N 389.361 3.665 10 1 GHCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1O 103266517 RRHICCAMORKQAC-UHFFFAOYSA-N 384.457 3.814 10 3 GHCF CCCCCOc1cc(C(=O)N[C@@H]2CCc3cc(O)c(O)cc3C2)ccc1OC 199944858 PXJVBGXKIQVEFZ-GOSISDBHSA-N 399.487 3.963 10 1 GHCF COc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587806226 JFANXAFRQQGPKB-DYBLOJMWSA-N 396.256 3.935 10 1 GHCF CC(C)(C)c1cc(CN2CCSCC2)c(O)c(CN2CCSCC2)c1 40878012 SPXUVKHKIJDIKL-UHFFFAOYSA-N 380.623 3.787 10 1 GHCF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2ccccc2)(c2cc(F)ccc2O)N1 962909359 LUZNAXSPABEKII-UGKGYDQZSA-N 381.378 3.561 10 1 GHCF O=C(/C=C/c1cc(O)c(O)c(Br)c1)NC12CC3CC(CC(C3)C1)C2 299833452 SFMVMPXRLULXGB-OWOJBTEDSA-N 392.293 3.959 10 1 GHCF CCOC(=O)CC[C@]1(c2ccc(N(CC)CC)cc2)NCCc2c(C)ccnc21 963066345 GVEHDZLUQNZUJS-XMMPIXPASA-N 395.547 3.969 10 1 GHCF CCNC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OCC)cc3)C2)cc1 96173024 WRTZFZXRCQVJAK-QGZVFWFLSA-N 382.504 3.983 10 1 GHCF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(O)c(O)c1O)[C@@H](C2)C3=O 587452356 SRYNSZPMSHWTAD-HJPURHCSSA-N 390.391 3.503 10 1 GHCF CCn1c(O)c(/N=N\C(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 5791832 UAQYDLPMVMBLFE-KGVXDGFKSA-N 376.416 3.807 10 1 GHCF CCOC(=O)CC[C@@]1(c2ccc(N(CC)CC)cc2)NCCc2c(C)ccnc21 963066336 GVEHDZLUQNZUJS-DEOSSOPVSA-N 395.547 3.969 10 1 GHCF O=C(NCc1ccc(O)c(O)c1)c1ccc2c(Cl)cc(Cl)c(O)c2n1 49088421 RTIAMATWOMLIHZ-UHFFFAOYSA-N 379.199 3.588 10 1 GHCF COc1cc(C(=O)Nc2ccc(-c3cccs3)cc2[N+](=O)[O-])cc(O)c1O 82155885 FQRCNJFXXCZLEX-UHFFFAOYSA-N 386.385 3.995 10 1 GHCF O=C(O)c1ccc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1O 89455014 GTTWYCNVHRAJHM-QZQOTICOSA-N 398.400 3.702 10 1 GHCF CCn1c(O)c(/N=N/C(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 101545504 YJBJSDQZROZADX-CAUFUNLISA-N 376.416 3.507 10 1 GHCF Oc1c(CN2CCCC2)cc(Nc2ccc(Cl)nn2)cc1CN1CCCC1 27891043 OQVALWLZDOTJGD-UHFFFAOYSA-N 387.915 3.771 10 1 GHCF Oc1ccc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1O 962948440 AFJRQNYMVVGCKC-SFHVURJKSA-N 379.378 3.857 10 1 GHCF C[C@](O)(CCc1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857610387 YPJUNXJGTPZPSW-KRWDZBQOSA-N 397.353 3.518 10 1 GHCF Oc1ccc(CNC2(c3ccccc3F)CCCC2)cc1CN1CCOCC1 473107465 JAQOJBWGDMMJGH-UHFFFAOYSA-N 384.495 3.923 10 1 GHCF Cc1c(O)cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587821123 GVRAIGBMZLFVNI-VGDKGRGNSA-N 382.229 3.637 10 1 GHCF [N-]=[N+]=NCCC[C@@H]1CC[C@@]2(CC1=O)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962731764 UIHQOSBHJZKLJH-DWQUBVKVSA-N 394.397 3.987 10 1 GHCF Nc1ccc(C[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)C(=O)O)cc1 1772648606 GQVXJYYWXOHGHE-QFIPXVFZSA-N 388.467 3.603 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)O)ccc2O)N1 587821278 GZQSADBSXWJFSP-VPTHRUTESA-N 380.213 3.616 10 1 GHCF Nc1ccc(CN2C(=O)c3cccc4c(Br)ccc(c34)C2=O)cc1 103254212 YLYQDSAXXVCFGB-UHFFFAOYSA-N 381.229 3.981 10 1 GHCF CCOC(=O)[C@]1(C)C(/N=N/c2ccccc2OC)=C(O)C(=O)N1c1ccccc1 101817960 UYNUWBUJOFIREO-JSMIYBGHSA-N 395.415 3.917 10 1 GHCF CC[C@@]1(c2c(O)cc(O)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587822161 LPAMVQLSUJFHGF-NIVTXAMTSA-N 396.256 3.893 10 1 GHCF CC[C@@]1(c2c(O)cc(O)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587822158 LPAMVQLSUJFHGF-DYBLOJMWSA-N 396.256 3.893 10 1 GHCF COc1cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587807874 OJEDAXXMFNKTSF-NIVTXAMTSA-N 396.256 3.935 10 1 GHCF OCc1ccc(O)c([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1 962645084 RZTKMUKKGJLZGK-BWKNWUBXSA-N 386.495 3.721 10 1 GHCF CCOc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 27856852 ZJUVFEFUJHQCGY-UHFFFAOYSA-N 388.471 3.626 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)c([N+](=O)[O-])c2)N1 587749042 ZYBDYTOSWILCEC-KWKYVRJSSA-N 397.200 3.531 10 1 GHCF O=Cc1cc([C@H]2c3ccsc3CCN2Cc2cccnc2)c(O)c([N+](=O)[O-])c1 963002578 CEIIBYSRIBTEIN-LJQANCHMSA-N 395.440 3.717 10 1 GHCF COc1cc(/C=C\c2nc3c(C)c(Br)cnc3[nH]2)cc(O)c1O 587785164 IJWRXXVRSOXQOC-ARJAWSKDSA-N 376.210 3.619 10 1 GHCF COC(=O)c1ccc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807749 MZACXTIJYAJWSU-VVVCHXIZSA-N 394.240 3.704 10 1 GHCF C/C=C1/CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@]2(C)C[C@]1(C)/C(=C/O)C(=O)OC 238780467 DIWCLEKUQXTXKA-WTYXRCIQSA-N 382.504 4.000 10 1 GHCF CC(=O)N[C@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)nc1 1772609982 GVKSFXSFUFTJMA-OPAMFIHVSA-N 395.503 3.725 10 1 GHCF O=C(Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)OCc1ccccc1 587782492 MMJADUYYBPLEDE-UHFFFAOYSA-N 396.402 3.624 10 1 GHCF COC(=O)Cn1c(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587432876 ZREAZMOLFHLKKS-MWTRTKDXSA-N 391.423 3.620 10 1 GHCF O=C(O)[C@@H]1CCCN(CCOCCN2c3ccccc3Oc3ccccc32)C1 13863085 HVUBXVHCVWJVHW-QGZVFWFLSA-N 382.460 3.744 10 1 GHCF CCN1[C@H](c2ccc(Cl)cc2)[C@@H](CNCc2ccccc2O)C[C@@]1(C)CO 169294704 JPXJCCBSAFYQMW-QIJUGHKUSA-N 388.939 3.969 10 1 GHCF COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(CN4CCCC4)c1)[C@@H](C2)C3=O 587444200 NUXWNTLQQADOBX-FDDCHVKYSA-N 379.456 3.659 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c21 586889033 ZWUHIFFUHXECQV-RDBSUJKOSA-N 382.419 3.977 10 1 GHCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CC4)cc3C)C2)nc1 1772621707 OOHKWDGVQKUQSB-HRAATJIYSA-N 395.503 3.786 10 1 GHCF CN(C)c1ccc(CNC(=O)[C@]2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1 61927241 NJNPXPUPXMQPCI-DEOSSOPVSA-N 387.483 3.825 10 3 GHCF COc1cc2c(c(O)c1O)C(=O)[C@@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc12 1654654 GDEKEEAROVIPQQ-OXJNMPFZSA-N 389.407 3.536 10 1 GHCF NS(=O)(=O)c1ccc(NCc2ccc(CCCc3ccccc3)cc2O)cc1 1857746416 WLAVKMOCIVJJJS-UHFFFAOYSA-N 396.512 3.827 10 1 GHCF O=C1[C@@H]2[C@@H](C(=O)N1CCNc1c3ccccc3nc3ccccc13)[C@H]1C=C[C@H]2C1 102203704 NMXILYPHEODMRP-PBFVBANWSA-N 383.451 3.607 10 1 GHCF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587274574 QDFIELWCPQMMKA-GFCCVEGCSA-N 378.392 3.846 10 1 GHCF CCn1c(O)c(/N=N/C(=O)Cc2csc(N3CCOCC3)n2)c2ccccc21 101852859 IBRQLKVVCTVDTB-QURGRASLSA-N 399.476 3.513 10 1 GHCF C[C@H]1CN(c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)C[C@@H](C)N1 95598607 FQSDTYQUAIPPOG-CALCHBBNSA-N 395.528 3.827 10 1 GHCF COc1cc(/C=C\c2nc3ccc(Br)c(O)c3[nH]2)cc(O)c1O 587785323 LDAQWEQQMXBIIO-DJWKRKHSSA-N 377.194 3.621 10 1 GHCF COc1ccc(C(=O)CN2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1 1857578497 BWBVDAJARYXERW-WOJGMQOQSA-N 399.493 3.788 10 1 GHCF CS(=O)(=O)Nc1ccc(Nc2c3cc(N)ccc3nc3ccc(N)cc23)cc1 26940189 SSUGGGOJEFVAIS-UHFFFAOYSA-N 393.472 3.668 10 1 GHCF O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)Nc1cccc2cnccc12 14973490 FDYDLNUOWBFZCG-UHFFFAOYSA-N 398.413 3.671 10 1 GHCF O=C(OC/N=[N+](\[O-])COC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 238759657 JXUPYKCLCJPTRH-VXPUYCOJSA-N 383.187 3.885 10 1 GHCF O=c1cc(-c2cc(O)c(O)cc2Cc2ccccc2)oc2cc(O)cc(O)c12 653830255 YZHNQMGHXBKYIT-UHFFFAOYSA-N 376.364 3.873 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])ccc2O)N1 587748806 WNMRJNISLZCWQY-VVVCHXIZSA-N 395.228 4.000 10 1 GHCF COC(=O)Cn1c(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587390707 NJQAEXFEXSSKDO-IBGZPJMESA-N 378.428 3.720 10 1 GHCF Cc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3ccccc3O)C2)cc1 299866873 PQBUVRUUEWUAIN-OAQYLSRUSA-N 377.488 3.864 10 1 GHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CCOC)cc3)C2)cc1 142234073 NIMSTPLWLCCORC-KRWDZBQOSA-N 398.503 3.567 10 1 GHCF COc1ccc(N2CCN(CC[C@H](OC(N)=O)c3ccc(C)c(C)c3)CC2)cc1 95578378 RYQRWTSURVDGOP-QFIPXVFZSA-N 397.519 3.661 10 1 GHCF CO[C@H]1c2c(O)c(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@H]1OC3=O 100775672 LBJNLIBZUVWVTE-UGNRZPKXSA-N 376.449 3.617 10 1 GHCF endogenous,in-man Nc1ccc2cccc(O[C@H]3CCN(c4ccc5c(c4)OC(F)(F)O5)C3)c2n1 28365697 DITRAWGPPHDAHU-AWEZNQCLSA-N 385.370 3.796 10 1 GHCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32CC(=O)c3cc(C)cc(N)c3O2)cc1 587399614 KYYVWTJBQUJDSU-DLYSWHJUSA-N 378.472 3.979 10 1 GHCF Cc1ccnc2c1CCN[C@@]2(COc1ccc(Cl)cc1)c1ccc(O)cc1O 963070625 OZILKXWZPQRWRK-QFIPXVFZSA-N 396.874 3.923 10 1 GHCF CC(C)Cn1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@H]1C2 29489141 NRMCOBVLHDZQFD-GNEWFCMESA-N 398.547 3.570 10 1 GHCF O=C(O[C@@H]1Cc2ccccc2O[C@H]1c1ccccc1)c1cc(O)c(O)c(O)c1 24215305 CFGCVSCATFZPPH-CTNGQTDRSA-N 378.380 3.705 10 1 GHCF CCOC(=O)[C@@]1(C)C(N=Nc2ccccc2OC)=C(O)C(=O)N1c1ccccc1 299813112 UYNUWBUJOFIREO-OAQYLSRUSA-N 395.415 3.917 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(CN(C)C)c2)N1 587738786 CWXGUCMQORBUME-WLRWDXFRSA-N 393.300 3.979 10 1 GHCF CN(C)Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587574876 ZJAWLMIFWSPXMQ-NZQKXSOJSA-N 391.423 3.862 10 1 GHCF COCCCN1CCc2ccc(OC)cc2[C@]1(CC(C)=O)c1ccccc1O 961328769 WJJFFQLDRVYLHD-QHCPKHFHSA-N 383.488 3.518 10 1 GHCF CN(C)c1ccc(/C=C2\C(=O)Nc3ccc(I)cc32)cc1 72142717 UKQFLSBOEQVNAM-DHDCSXOGSA-N 390.224 3.850 10 1 GHCF CCCN1[C@@H](C)Cc2ccccc2[C@]12CC=Cc1cc(O)c(O)c(O)c1C2=O 963233438 UGHONYJKARKRSG-PSLXWICFSA-N 379.456 3.955 10 1 GHCF CCC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 73297540 ATVADWFRQCKLNU-HXUWFJFHSA-N 385.508 3.894 10 1 GHCF Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccc(N(C)C)cc3)ccc12 96905459 RTBZVZAPWRXQLQ-NRFANRHFSA-N 379.485 3.681 10 1 GHCF COc1ccccc1C(=O)NCC(=O)N=Nc1c(O)n(C(C)C)c2ccccc12 253915988 OMGVPHFJNHJKAD-UHFFFAOYSA-N 394.431 3.977 10 1 GHCF CC1=NN(c2ccccc2F)C(=O)/C1=C/c1cn(C[C@@H]2CO2)c2ccccc12 653722460 LSEUHCQWORVKNF-VHWUNXFSSA-N 375.403 3.985 10 1 GHCF O=C(Nc1ccc(NC(=S)Nc2ccc(O)c(O)c2)cc1)c1ccccc1O 13535940 SLZGGHLWUGQQKR-UHFFFAOYSA-N 395.440 3.865 10 1 GHCF CC(C)(C)CCNc1cc(N[C@H]2CCN(Cc3cccc(F)c3O)C2)ncn1 73158180 RBSBBGZWUIWZIJ-INIZCTEOSA-N 387.503 3.856 10 1 GHCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@]23CCCC(C)(C)[C@@H]2[C@]1(OC)OC3=O 104354218 MCHRWEBHSKWYBW-GMQQQROESA-N 390.476 3.886 10 1 GHCF in-man Nc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(F)cc2)cc1 72126970 AKUBCSYOFANRSA-UHFFFAOYSA-N 394.431 3.928 10 1 GHCF O=C(O)CNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 4719714 LOWRMFOZCMJCQZ-YRVVQQKDSA-N 382.847 3.981 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc([N+](=O)[O-])c3[nH]1)[C@@H]1CC=C[C@@H]21 587277151 PTICCMQSVTWFKD-QFSBIZTOSA-N 392.375 3.909 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2O)OCO3)N1 587833493 GOOGGJVBMMAXNU-YYSFKGJASA-N 394.240 3.820 10 1 GHCF Cc1ccc(C)n1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 1857641699 JEVTVEZZGINPQX-UHFFFAOYSA-N 399.468 3.531 10 1 GHCF COC(=O)c1ccc(-n2c(C)cc3c2CC(C)(C)CC3=O)c(O[C@H]2CCOC2)c1 587924545 CAUZULAOZNWZCK-INIZCTEOSA-N 397.471 3.895 10 1 GHCF COc1ccc(-c2cn(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)nn2)cc1 15937301 RRWAWOWLTUOJDG-UHFFFAOYSA-N 395.418 3.777 10 3 GHCF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@@H](CC(C)C)NC(=O)[C@]32C(=O)CCC(=O)C(=O)CC1 2356765968 BPFQGYYSWWQTFO-KYDIXZHGSA-N 399.531 3.573 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc([N+](=O)[O-])c2O)N1 587715284 BVCWNZGDONLLNP-MLXNANBUSA-N 399.191 3.965 10 1 GHCF COCC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149935901 NQXDKHGPOUBPSA-KRWDZBQOSA-N 394.515 3.903 10 1 GHCF CC[C@@]1(c2c(O)cc(O)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587822801 RDDRPVRJVFQKSN-NIVTXAMTSA-N 396.256 3.893 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(O)cc2O)N1 587747082 PCEPNIOHNVZFTF-HYORBCNSSA-N 397.200 3.531 10 1 GHCF CCN(CC)CCCn1c2c(c3ccccc3c1=O)C(=O)C(=O)c1cc(C)oc1-2 1772590833 WFDKMAMSXDSEQB-UHFFFAOYSA-N 392.455 3.681 10 1 GHCF CCOc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCCC2)c1 40763069 WSGFYHBPBWNCNQ-UHFFFAOYSA-N 392.459 3.582 10 1 GHCF COc1cc(OC)c(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804932 DMFSUQWTEDNYQR-HUTHGQBESA-N 396.256 3.935 10 1 GHCF COc1c(C(C)C)c(O)c(O)c2c1[C@@H](OC)[C@@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13 104357044 DHNUPRDARUHAJK-GHDARCQNSA-N 390.476 3.920 10 1 GHCF in-man C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])ccc2O)N1 587744361 DKDUWTUMKZTPDX-HUTHGQBESA-N 395.228 4.000 10 1 GHCF CCOC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccccc2)c1C 13643736 WYCFFUNCVUEJEH-UHFFFAOYSA-N 397.496 3.962 10 1 GHCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cc4c(cc3F)OCCO4)C2)cc1 96172891 ASFSOIZDAVJCKZ-CQSZACIVSA-N 385.435 3.947 10 1 GHCF COc1cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)cc4)C[C@@H]3O2)cc(O)c1O 2356373195 UGUFBLZTUREIGQ-FTJQACKJSA-N 386.444 3.587 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)ccc2O)N1 587822030 LCPYJLHJEVQOAS-DYBLOJMWSA-N 394.240 3.790 10 1 GHCF COc1ccc(C=O)cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587785814 CWBKKTATZYSBQK-UHFFFAOYSA-N 382.375 3.826 10 1 GHCF O=C(Nc1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)CC2)[C@@H]1CCCO1 14951897 ISCPKICLYHVZQB-FQEVSTJZSA-N 386.879 3.721 10 1 GHCF COc1ccc(CN(C)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc1 26499092 KOHUNJYPEGQYAN-UHFFFAOYSA-N 386.455 3.974 10 1 GHCF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587274576 QDFIELWCPQMMKA-LBPRGKRZSA-N 378.392 3.846 10 1 GHCF CC(C)C[C@H]1CN(C(=O)/C=C/c2ccc(N(C)C)cc2)[C@@H](CC(C)C)C(=O)N1 103267081 NABFFYDKBAKVID-HZXPXBNSSA-N 385.552 3.554 10 1 GHCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32CC(=O)c3cc(C)cc(N)c3O2)cc1 587399615 KYYVWTJBQUJDSU-LPXYKDPNSA-N 378.472 3.979 10 1 GHCF CCn1c(O)c(/N=N\C(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 169293454 YJBJSDQZROZADX-ITOMIHQGSA-N 376.416 3.507 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(O)c(O)cc32)N1 587835751 XWURTNVLOIWLTE-NIVTXAMTSA-N 378.241 3.723 10 1 GHCF COC(=O)c1ccc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587807257 LSWWHPGRQIGUMN-XLFHBGCDSA-N 394.240 3.704 10 1 GHCF CCOc1c(OC)c(OC)cc2c1C(=O)c1c-2nc2ccccc2c1C(=O)OC 95588183 NWXRJMDXYDONMO-UHFFFAOYSA-N 393.395 3.649 10 1 GHCF COc1c(-c2ccc(O)c(O)c2)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 13340183 QSZXQLYJMCASGB-UHFFFAOYSA-N 382.368 3.770 10 1 GHCF biogenic Cc1ccc2nc(C[C@@H]3CN(Cc4ccccc4O)CC[C@@H]3CC(=O)O)[nH]c2c1 2356316732 LKSFCUNIADOOTK-SJLPKXTDSA-N 393.487 3.732 10 1 GHCF Cc1nc2c(C(=O)N[C@H]3CCCC[C@H]3C)cnn2c(O)c1Cc1ccccc1F 9597703 BPEDCAGKUQSBOP-YJYMSZOUSA-N 396.466 3.782 10 1 GHCF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587804534 BRHSTZHPDCXKOQ-JDNHERCYSA-N 396.256 3.935 10 1 GHCF COc1cc(O)cc(O)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587806222 JCDZKUPGBHKURH-DYBLOJMWSA-N 396.256 3.806 10 1 GHCF CN(C)c1ccc(CNc2ccc(/C=C/C(=O)Nc3ccccc3N)cn2)cc1 36338677 NZOPUKCDUUUXJV-GXDHUFHOSA-N 387.487 3.994 10 1 GHCF CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 73297537 ATVADWFRQCKLNU-FQEVSTJZSA-N 385.508 3.894 10 1 GHCF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(O)c1O 587806638 KNVJPYLRYYGLCS-BCTVWOGZSA-N 382.229 3.632 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)c3ccccc3C2=O)N1 587818708 FHNBMJCBSLAFBZ-GIGQVBGESA-N 388.236 3.787 10 1 GHCF O=C(O)CN1C(=O)/C(=C/c2cc3cc(Cl)ccc3nc2Cl)SC1=S 1772619153 FEZRGZDAOBXMNZ-WZUFQYTHSA-N 399.280 3.827 10 1 GHCF CCCCCOc1cc(C(=O)N[C@H]2CCc3cc(O)c(O)cc3C2)ccc1OC 199944891 PXJVBGXKIQVEFZ-SFHVURJKSA-N 399.487 3.963 10 1 GHCF CCC(=O)N1N=C(C)C[C@@H]1c1cc(Br)cc(Br)c1O 653739151 IOBBGNSDKJLVPD-LLVKDONJSA-N 390.075 3.977 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc([N+](=O)[O-])c2O)N1 587715283 BVCWNZGDONLLNP-KWKYVRJSSA-N 399.191 3.965 10 1 GHCF COc1cc2c(Sc3nccs3)ncnc2cc1OCCN1CCCC1 84654686 XMZQEVXFTMIAOR-UHFFFAOYSA-N 388.518 3.721 10 1 GHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)C4CC4)cc3)C2)cc1 142182534 OHGITAVUYNFLDT-INIZCTEOSA-N 380.488 3.940 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2O)N1 587743896 BYOSUZFPZSEZFL-ZKANADHPSA-N 381.201 3.826 10 1 GHCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccs3)cc2)c1O 103266491 YPCPOQLSBIJODO-UHFFFAOYSA-N 390.486 3.875 10 1 GHCF COc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587806165 IJZNYOVJPUEGFG-LZVRBXCZSA-N 396.256 3.935 10 1 GHCF C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(cc3c(c1O)CNC3=O)O2 238767003 TYBIMLPPWZKUEC-SWWUMETJSA-N 385.504 3.543 10 1 GHCF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)O2 28567001 BDHGMTIQVMPVCU-AVAOGFIGSA-N 397.471 3.642 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2O)N1 587747951 RATRJPCKVJAKSG-VPTHRUTESA-N 381.201 3.826 10 1 GHCF C[C@@H](COc1cc2oc3c(c2cc1Cl)C(=O)c1cccnc1C3=O)N(C)C 28714002 MHLDFTSFDRBGTQ-JTQLQIEISA-N 384.819 3.586 10 1 GHCF NS(=O)(=O)c1ccc(/N=N\c2c(O)[nH]c3ccc(Br)cc23)cc1 102691547 IWDDMLCHUYBHHD-HNENSFHCSA-N 395.238 3.699 10 1 GHCF COc1cc2ncnc(Sc3nccs3)c2cc1OCCCN(C)C 84757796 MGYQGZAPQZWCKH-UHFFFAOYSA-N 376.507 3.577 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)cc2[N+](=O)[O-])N1 587746708 KKVCKVONDCNEAW-GYKQLYQFSA-N 397.200 3.531 10 1 GHCF COc1cc(OC)c(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587806221 JAOSLDWBFHVRIV-XYZCENFISA-N 396.256 3.935 10 1 GHCF CN(C)c1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205063551 JEBWTIKSUAHOAZ-UHFFFAOYSA-N 387.365 3.568 10 1 GHCF CN(C)c1ccc(-c2nc3cc(OCCOCCOCCF)ccc3o2)cc1 95579064 IXWYRQOHGLPBMP-UHFFFAOYSA-N 388.439 3.942 10 1 GHCF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cc(OCc3ccccc3)ccc2O)N1 962922049 OKFIOQPRJVAHSB-SIKLNZKXSA-N 393.414 3.799 10 1 GHCF CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2ccccc2O)C[C@@]1(C)CO 19113044 JPXJCCBSAFYQMW-COPCDDAFSA-N 388.939 3.969 10 1 GHCF COc1ccc(O)c([C@]2(CCC(=O)O)c3ccc(F)cc3C[C@H]3CCCN32)c1 963119816 ZMWRRYNZOBFYBP-ZHRRBRCNSA-N 385.435 3.669 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C(=O)c3ccccc32)N1 587824575 XNPQKHFFIOUELA-APBUJDDRSA-N 388.236 3.522 10 1 GHCF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587804532 BRHSTZHPDCXKOQ-FVMDXXJSSA-N 396.256 3.935 10 1 GHCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@]1(OC)OC3=O 100774225 MCHRWEBHSKWYBW-KSCDAYEDSA-N 390.476 3.886 10 1 GHCF endogenous,in-man CCOC(=O)[C@@H]1Cc2cc(Cc3ccc(O)c(CN)c3)c(Cl)c(Cl)c2O1 27654332 UNXBEIVBVOXHPY-HNNXBMFYSA-N 396.270 3.615 10 1 GHCF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(O)c1O 587805789 HSFYJYVLTRLSOA-VPTHRUTESA-N 382.229 3.632 10 1 GHCF CC[C@@]1(c2ccc(Cl)c(Cl)c2O)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963548582 HDBBIJLXHABLET-DJJJIMSYSA-N 396.270 3.966 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)O)cc2O)N1 587820291 CPSSFNRPNSOELO-NIVTXAMTSA-N 394.240 3.790 10 1 GHCF Cc1ccnc2c1CCN[C@]2(CCCCCC(=O)O)c1ccc(N(C)C)cc1 963067330 JJQNFRIYESEIAD-HSZRJFAPSA-N 381.520 3.880 10 1 GHCF O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccc(CP(=O)(O)O)cc1 28360601 RCIFGHVGDDWFCV-GDNBJRDFSA-N 391.410 3.770 10 1 GHCF CCCCOC(=O)CCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29549070 IBUTTXCGULORPC-UHFFFAOYSA-N 388.552 3.860 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(O)c2O)N1 587824199 YQRZDSBHRQFWRI-RBHXEPJQSA-N 382.229 3.503 10 1 GHCF OCc1ccc(O)c([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962645086 RZTKMUKKGJLZGK-OFVILXPXSA-N 386.495 3.721 10 1 GHCF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(N3CCCC3)cc2)N1 962970373 GQSWYHRXGBHFGZ-LPHOPBHVSA-N 392.833 3.907 10 1 GHCF Cc1c(O)c(O)c(C)c2c1CCN(C(=O)/C=C/c1ccc(C(F)(F)F)nc1)C2 58583647 ACFDDVQHNHVIIP-GQCTYLIASA-N 392.377 3.727 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2O)N1 587739398 AZXZSFROUMJYKM-YPMLDQLKSA-N 379.273 3.983 10 1 GHCF COc1cc(OC)c(C(=O)c2cccc(Cl)c2)c(O)c1CN1CCCC1 49070471 ODEJEKFSNWXRJZ-UHFFFAOYSA-N 375.852 3.890 10 1 GHCF C[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)n1cc(Cl)cn1 587082140 LPGAFEMBFFRBLJ-JTQLQIEISA-N 376.803 3.798 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2O)OCO3)N1 587832702 CAXBIPUCRUJICG-QPFGOUBPSA-N 380.213 3.646 10 1 GHCF COc1cc(/C=C/c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc(O)c1O 587786812 XWWQEXSWCOFVJE-FARCUNLSSA-N 388.427 3.985 10 1 GHCF Oc1c(Br)ccc(Cl)c1[C@@H]1NCCc2nc3ccccn3c21 962988511 OULNXOAAILYTRI-AWEZNQCLSA-N 378.657 3.691 10 1 GHCF O=C(O)C[C@H]1CCN(Cc2ccccc2O)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356302740 WSBFIOPZUANCBY-ZBFHGGJFSA-N 397.450 3.563 10 1 GHCF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(O)c1O 587805792 HSFYJYVLTRLSOA-ZKANADHPSA-N 382.229 3.632 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(O)c2O)N1 587821649 JENNTSDRYREAMC-RBHXEPJQSA-N 382.229 3.503 10 1 GHCF C[C@@]1(c2ccccc2)C(=O)c2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 27902970 WUVOPORMJWAGDR-GOSISDBHSA-N 379.195 3.794 10 1 GHCF C/C(=C\Cc1cc(C(=O)O)cc(O)c1O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O 96933296 HEKKNGJOTDHUHQ-IJEFQKSISA-N 392.492 3.923 10 1 GHCF NS(=O)(=O)c1ccc(N=Nc2c(O)[nH]c3ccc(-c4cnco4)cc23)cc1 618008689 XWSWBBJOBJLNNN-UHFFFAOYSA-N 383.389 3.591 10 1 GHCF C[C@@](O)(CCc1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857610388 YPJUNXJGTPZPSW-QGZVFWFLSA-N 397.353 3.518 10 1 GHCF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc3sccc3c2)cc1 1857620368 KWSVBYZWUZIASS-UXHICEINSA-N 379.529 3.587 10 1 GHCF COc1ccc2c(c1OC)C(=O)O[C@@H]2n1c(O)c(/N=N\C(C)=O)c2ccccc21 101871412 IKZQLYKHRRNJHJ-XQDODVJUSA-N 395.371 3.712 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(CN(C)C)c2)N1 587742428 RIQMGLDNLFTUDR-WLRWDXFRSA-N 393.300 3.979 10 1 GHCF O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc(O)c(O)c1[N+](=O)[O-] 13677687 FNHAHHBNZBVEPT-UHFFFAOYSA-N 384.432 3.534 10 1 GHCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3ccc(C)nc3)cc2)c1O 103266544 AYIYTTKZCABTEC-UHFFFAOYSA-N 399.472 3.517 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(SCCN3CCCCC3)[nH]c21 103264517 OVJZATXZPZSVFE-UHFFFAOYSA-N 391.496 3.916 10 1 GHCF COC(=O)[C@H]1C(=O)c2c3c(n(Cc4ccccc4)c2C[C@H]1C)-c1ccccc1C3=O 6488674 QZGUNYABOLLCIK-AUUYWEPGSA-N 399.446 3.912 10 1 GHCF COC(=O)Nc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cn1 587245092 NVIUGUABXMJRNP-UHFFFAOYSA-N 398.378 3.579 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)c([N+](=O)[O-])c2)N1 587749043 ZYBDYTOSWILCEC-MLXNANBUSA-N 397.200 3.531 10 1 GHCF Cc1c(O)cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587821121 GVRAIGBMZLFVNI-HYORBCNSSA-N 382.229 3.637 10 1 GHCF COc1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1 100803035 KFWGIYRNIFINTL-BGYRXZFFSA-N 395.551 3.668 10 1 GHCF CCOC(=O)c1sc(N2N=C(C)[C@H](/N=N/c3cccc(C)c3)C2=O)nc1C 101568178 VWWACEFJSDMIAT-PXKHIBQASA-N 385.449 3.812 10 1 GHCF C[C@H](NC(=O)CCO)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149931786 XWPOWIQNZPPHIA-KRWDZBQOSA-N 394.515 3.639 10 1 GHCF CCOC(=O)/C(N=Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC)=C(\C)O 1779851120 MWRPIDYNXOCWIA-NXWDFKCCSA-N 398.437 3.846 10 1 GHCF S=C(NNc1ccc(Cl)cc1)Nc1ccc(-c2nnc(S)o2)cc1 72173186 XYYZAKGXQIKILE-UHFFFAOYSA-N 377.882 3.992 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(O)c2O)N1 587821647 JENNTSDRYREAMC-QPFGOUBPSA-N 382.229 3.503 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)O)ccc2O)N1 587819863 BVLGPDUILTUNHM-VPTHRUTESA-N 380.213 3.616 10 1 GHCF COc1cc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(O)c1O 587785456 MCFUGWACSPLSNX-NSCUHMNNSA-N 386.717 3.567 10 1 GHCF COc1cc(F)c(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1F 1772581808 RTOPWSPJIPKCOW-GUYCJALGSA-N 390.430 3.828 10 1 GHCF NS(=O)(=O)CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5162769 LONPRWYNNZRYIO-UHFFFAOYSA-N 377.469 3.963 10 1 GHCF CN1C[C@H](c2nnnn2C2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 27722784 NBQVMIJSHKAYBS-OZOXKJRCSA-N 390.535 3.798 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)cc2O)N1 587821662 JJSPURTXYVYNPF-BCTVWOGZSA-N 380.213 3.616 10 1 GHCF COC(=O)[C@H]1C(=O)c2c3c(n(Cc4ccccc4)c2C[C@@H]1C)-c1ccccc1C3=O 6495299 QZGUNYABOLLCIK-IFXJQAMLSA-N 399.446 3.912 10 1 GHCF Cc1ccc2[nH]c(O)c(N=NC(=O)[C@@H](C)n3cnc4ccccc4c3=O)c2c1 253966684 IGHATCZBUMGPDE-GFCCVEGCSA-N 375.388 3.763 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2O)N1 587743888 BYOSUZFPZSEZFL-BCTVWOGZSA-N 381.201 3.826 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2O)N1 587739395 AZXZSFROUMJYKM-MGNBDDOMSA-N 379.273 3.983 10 1 GHCF CC[C@]1(c2cc(Br)ccc2O)N[C@H](C(=O)O)Cc2cccc(F)c21 962927084 ZBOQECHIDBVEPF-KBXCAEBGSA-N 394.240 3.546 10 1 GHCF Oc1cc2c(cc1O)CN(C(=S)NCCc1cccc(Cl)c1)CCC2 29132604 QLYQEWIKKPJMQH-UHFFFAOYSA-N 376.909 3.617 10 1 GHCF NC(=S)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2ccccc2F)c1O 169312531 OXGVBDSMNOPSRC-FMQUCBEESA-N 386.368 3.810 10 1 GHCF CCOC(=O)COc1ccc(Cc2ccc(O)c(CN)c2)c(Cl)c1Cl 28021015 OLCLJSNJMNGROT-UHFFFAOYSA-N 384.259 3.690 10 1 GHCF COc1cc(OC2CC2)ccc1N1CC(Oc2ccc([C@H](C)NC(C)=O)cc2)C1 142279301 QRYOUKMAABLVPA-HNNXBMFYSA-N 396.487 3.701 10 1 GHCF Oc1cc(-c2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc(O)c1O 58592729 FRGHPEOJNITKLR-UHFFFAOYSA-N 389.367 3.886 10 1 GHCF O=C(/C=C/c1ccc(NC(=O)c2ccccc2O)cc1)Nc1ccc(O)c(O)c1 13535927 MDIWOVMQPXNFHM-KPKJPENVSA-N 390.395 3.708 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(N)=O)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277669 ZTIRAQIHIWXOEI-LPMFXHHGSA-N 389.415 3.705 10 1 GHCF CN(C)CCn1c2c(c3c4ccccc4c(O)cc31)C(=O)c1ccccc1C2=O 473111537 BNGCHTGHSNZIMQ-UHFFFAOYSA-N 384.435 3.837 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc3c2OCO3)N1 587833938 JALKAENNKKYBFF-ZKANADHPSA-N 380.213 3.646 10 1 GHCF COc1cc2c3c(c1)O[C@H](c1ccc(O)c(CN4CCCCC4)c1)[C@@H](C2)C3=O 587440548 BILLGLOZSCJJQC-FDDCHVKYSA-N 379.456 3.875 10 1 GHCF O=C(O)CCN1C(=O)/C(=C/c2cc3cc(F)ccc3nc2Cl)SC1=S 1772618089 CTZJWLIMIUUWDC-GHXNOFRVSA-N 396.852 3.703 10 1 GHCF O=C(NCc1ccccn1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21 15952451 RJXJNFLDPOFGSO-HDMKZQKVSA-N 389.377 3.750 10 3 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2O)OCO3)N1 587833491 GOOGGJVBMMAXNU-NIVTXAMTSA-N 394.240 3.820 10 1 GHCF CN1CCN(Cc2cc(CNC3(c4ccccc4)CCCC3)ccc2O)CC1 473090937 BFNPKJDXPRPTIL-UHFFFAOYSA-N 379.548 3.699 10 1 GHCF CCSCCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 617964393 BDSAJKDQRUJJSB-CFBLSMTOSA-N 379.551 3.682 10 1 GHCF CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1857761038 KNINRYGFSSXZLA-UHFFFAOYSA-N 376.456 3.911 10 1 GHCF CC/C=C(/C)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 138267204 RIVWATJNTMXUNJ-WZUFQYTHSA-N 390.391 3.580 10 1 GHCF CN1C[C@H](CNC(=O)c2ccc(F)cc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297511 VORCNVDCTVGTPP-ZAOYMGCJSA-N 391.490 3.707 10 1 GHCF Cc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O 103265807 CNWKEAWGKCTKLH-UHFFFAOYSA-N 375.475 3.570 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc([N+](=O)[O-])c2O)N1 587746638 NFJXJIKEHDVTIB-HUTHGQBESA-N 395.228 4.000 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc([N+](=O)[O-])c2O)N1 587746631 NCPUURHVEIZMKL-VVVCHXIZSA-N 395.228 4.000 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)c3ccccc3C2=O)N1 587818707 FHNBMJCBSLAFBZ-DGIBIBHMSA-N 388.236 3.787 10 1 GHCF N[C@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C[C@H]1c1ccccc1F 587154796 HGZIUDKASJCFHC-UPCLLVRISA-N 397.409 3.819 10 1 GHCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(N3CCOCC3)cc2O)N1 962953148 PYNREOPRGXZNLA-VOIUYBSRSA-N 391.515 3.898 10 1 GHCF Cc1ccc(C2=NN(C(=O)Cn3ccnc3)[C@H](c3cc(Cl)ccc3O)C2)cc1 299857439 CWQFDXWJIMAUHJ-IBGZPJMESA-N 394.862 3.928 10 1 GHCF COc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587806580 KCDBORJZVZSSID-YYSFKGJASA-N 396.256 3.935 10 1 GHCF CN(C(=O)c1ccccc1)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 26746207 ROQGHVJLBHMQJB-UHFFFAOYSA-N 393.531 3.860 10 1 GHCF CC=C(C)C(=O)O[C@@H]1C[C@H](C(C)(C)OC)O[C@@]1(C)c1ccc(C)c(O)c1O 2356530730 QMSZDYMSZDFCPW-ZOCZFRKYSA-N 378.465 3.713 10 1 GHCF Cn1c(=O)c(C2=NN[C@H](c3c(O)ccc4ccccc34)C2)c(O)c2ccccc21 3846623 FURQPKSEDBWDHR-INIZCTEOSA-N 385.423 3.542 10 1 GHCF biogenic COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc(O)c1O 73198291 FZYCTQILRVYTSB-UHFFFAOYSA-N 380.356 3.934 10 1 GHCF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(O)c1O 587806644 KNVJPYLRYYGLCS-ZKANADHPSA-N 382.229 3.632 10 1 GHCF Cc1cc(N)c(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587750403 UDNSJORUWMCISS-YPMLDQLKSA-N 379.273 3.982 10 1 GHCF CN1C=C2Sc3ccc(OCCN4CCOCC4)cc3N=C2c2ccccc21 1857538688 DVAVGFPOARDUTO-UHFFFAOYSA-N 393.512 3.915 10 1 GHCF O=C(Cc1ccc(F)cc1)NCc1cc(CN2CCCC2)c(O)c2ncccc12 1857646914 HJDGJOXHZVQPLE-UHFFFAOYSA-N 393.462 3.534 10 1 GHCF COc1ccccc1N1CCN(CCCNC(=O)/N=N/c2ccc(F)cc2)CC1 1857587852 YQKDABBJXATHLA-OCOZRVBESA-N 399.470 3.840 10 1 GHCF CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)OCCCN=[N+]=[N-])O2 473136019 MVIBUBGYZVKHCP-IBGZPJMESA-N 375.425 3.864 10 1 GHCF CCCN(CCC)CC(=O)N1N=C(C)C[C@H]1c1cc(Br)ccc1O 653729260 RORXMRKXCOSALE-INIZCTEOSA-N 396.329 3.926 10 1 GHCF COc1ccc(N2CCN(CCCc3ccc4[nH]c(=S)[nH]c4c3)CC2)cc1 34554833 CHOFOIZYGVGSTB-UHFFFAOYSA-N 382.533 3.989 10 1 GHCF O=c1nc(O)c(N=Nc2ccc(Br)cc2)c(O)n1-c1ccccc1 1779592304 YEZMMRPGKVZAGR-UHFFFAOYSA-N 387.193 3.822 10 1 GHCF Oc1cc(-c2nc(Nc3ccc4c(c3)NCN4)c3ccccc3n2)cc(O)c1O 58591178 XNPXQQRMXPMRFV-UHFFFAOYSA-N 387.399 3.952 10 1 GHCF Nc1c(F)cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1F 587134220 BTKBPLDCALYKMV-UHFFFAOYSA-N 375.334 3.866 10 1 GHCF COc1ccc(C(=O)CN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 1857610510 VJXYGMAEDPWWJP-LICLKQGHSA-N 387.457 3.918 10 1 GHCF CCOC(=O)[C@]1(C)C(N=Nc2ccccc2OC)=C(O)C(=O)N1c1ccccc1 299813111 UYNUWBUJOFIREO-NRFANRHFSA-N 395.415 3.917 10 1 GHCF O=C1c2c(O)cc3oc4cc(O)c(O)cc4c3c2O[C@H]1Cc1ccc(O)cc1 1857638005 WBDYQZHXSMGBCY-KRWDZBQOSA-N 378.336 3.595 10 1 GHCF Cc1ccc(C)n1-c1cc(CNCc2ccc(C(=O)O)cc2)ccc1C(=O)O 219919478 UKXXETQNROFZNE-UHFFFAOYSA-N 378.428 3.780 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc([N+](=O)[O-])c2O)N1 587745636 JZYYJVRCKNMYAI-AYVTZFPOSA-N 381.201 3.826 10 1 GHCF CCC(=O)N[C@@H](c1ccco1)c1cc(Br)c2cccnc2c1O 36380875 FSKZSCFSPFWKPI-OAHLLOKOSA-N 375.222 3.912 10 3 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])ccc2O)N1 587744363 DKDUWTUMKZTPDX-XLFHBGCDSA-N 395.228 4.000 10 1 GHCF COc1ccc(C2=NN(Cc3ccccc3O)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26504823 FUIUVFLWJWRMIR-MSOLQXFVSA-N 394.471 3.962 10 1 GHCF O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2)cc2c1Nc1ccccc1O2 103299703 GZEHDUPIWXXWLP-UHFFFAOYSA-N 399.384 3.951 10 1 GHCF CNc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427671 FGWUVWNKOZXRLO-IQGLISFBSA-N 397.430 3.973 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(O)c(O)cc32)N1 587835752 XWURTNVLOIWLTE-YYSFKGJASA-N 378.241 3.723 10 1 GHCF CNc1ccc2cccc(O[C@H]3CCN(c4ccc5c(c4)OCCO5)C3)c2n1 28384109 ZVNSEHVHWTXQCQ-KRWDZBQOSA-N 377.444 3.705 10 1 GHCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CNC(C)C)(c2ccc(O)c(O)c2)N1 962950337 MNGLHXAQJCPIKX-WAIKUNEKSA-N 379.504 3.745 10 1 GHCF O=C1O/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(O)=C1c1ccc(F)cc1 95593338 VUAWNQQUBHYACO-PDGQHHTCSA-N 385.366 3.668 10 1 GHCF CCc1ccc(/C=C2\SC(N[C@@H](C(=O)O)c3ccc(C)cc3C)=NC2=O)o1 28816660 QVOFDMRRJAUSKV-LPPOOGIUSA-N 384.457 3.845 10 1 GHCF CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(N)cc2)cc1 29406246 UWJNNTMKYUUORB-UHFFFAOYSA-N 396.394 3.512 10 1 GHCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(CO)cccc23)cc1 26849129 JKZDCVBIZIUGJM-UHFFFAOYSA-N 393.468 3.995 10 1 GHCF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1CC(c2ccc(O)cc2)=NN1 1857585803 KOMUYWKMCDOGKU-FQEVSTJZSA-N 384.443 3.511 10 1 GHCF CO[C@@H]1c2c(O)c(C(C)C)c(O)c(O)c2[C@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O 104357025 LBJNLIBZUVWVTE-DCXXXQMHSA-N 376.449 3.617 10 1 GHCF in-man C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2O)N1 587756188 QHMFBNHOPHQECJ-YPMLDQLKSA-N 379.273 3.983 10 1 GHCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c2ccc(O)c1O 587609325 OFXDDUUXOXLESS-PGRDOPGGSA-N 376.364 3.607 10 1 GHCF CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)c3ccc(C)cc3C)=NC2=O)o1 28816662 QVOFDMRRJAUSKV-RNIVLKNTSA-N 384.457 3.845 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)c3ccccc3C2=O)N1 587824111 ULWRGUMZWZXXPM-APBUJDDRSA-N 388.236 3.787 10 1 GHCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 1772651244 VOYKEBRUUKWFIK-FQEVSTJZSA-N 388.383 3.687 10 1 GHCF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O 587804505 BNJIJXQPQSGXJP-RBHXEPJQSA-N 382.229 3.632 10 1 GHCF CC(=O)N1CCN(c2ccc([C@H]3c4c(F)cccc4C[C@H]4CCCN34)cc2)CC1 963115386 WBOHPHQZNIYKRK-QPPBQGQZSA-N 393.506 3.604 10 1 GHCF COc1ccc(N2CCN(CC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1 261126347 KFWGIYRNIFINTL-MXVIHJGJSA-N 395.551 3.668 10 1 GHCF CS(=O)(=O)c1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(F)cc2)cc1 29390988 YCLOTKFQHKQHJM-UHFFFAOYSA-N 387.432 3.704 10 1 GHCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CNC(C)C)(c2ccc(O)c(O)c2)N1 962950335 MNGLHXAQJCPIKX-QMHKHESXSA-N 379.504 3.745 10 1 GHCF Cn1c(=O)c(C2=NN[C@@H](c3c(O)ccc4ccccc34)C2)c(O)c2ccccc21 3846624 FURQPKSEDBWDHR-MRXNPFEDSA-N 385.423 3.542 10 1 GHCF biogenic COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O 587807415 NIDHLYWZZXVSTC-CQLKUDPESA-N 382.229 3.632 10 1 GHCF C[C@H](O)c1ncc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)s1 587021200 GHYUBHFKYKAIRJ-VIFPVBQESA-N 375.409 3.515 10 1 GHCF O=C(O)c1ccc(O)c(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)c1 5890457 UIYDCNHGVDGNBZ-VHEBQXMUSA-N 388.357 3.611 10 1 GHCF COc1ccccc1/N=N/c1c(-c2ccc([N+](=O)[O-])cc2)nn(C(N)=S)c1O 169312529 WCBAEVOHXQVQFG-FMQUCBEESA-N 398.404 3.680 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C(=O)c3ccccc32)N1 587824576 XNPQKHFFIOUELA-DGIBIBHMSA-N 388.236 3.522 10 1 GHCF C/C=C(/C)C(=O)O[C@H]1C[C@@H](C(C)(C)OC)O[C@]1(C)c1ccc(C)c(O)c1O 238771556 QMSZDYMSZDFCPW-BUMIZOCXSA-N 378.465 3.713 10 1 GHCF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1cc2c(cc1O)OCO2 962375193 RTBFSLKTLGURTI-OAQYLSRUSA-N 382.485 3.843 10 1 GHCF COc1cccc2cc3c(nc12)[C@]1(CC(C)(C)Oc2cc(O)cc(O)c21)NCC3 963049130 AMSICDLACOLYLO-HSZRJFAPSA-N 392.455 3.605 10 1 GHCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@]23CCCC(C)(C)[C@H]2[C@]1(OC)OC3=O 104354223 MCHRWEBHSKWYBW-MCEIDBOGSA-N 390.476 3.886 10 1 GHCF in-man COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587810422 XEMQVQPHOYIUAZ-XXFAHNHDSA-N 396.256 3.935 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cc(O)cc2O)N1 587820750 FJMQBMNNRWDDTM-CQLKUDPESA-N 382.229 3.503 10 1 GHCF COc1cc(OC)c(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587806218 JAOSLDWBFHVRIV-HUTHGQBESA-N 396.256 3.935 10 1 GHCF Cc1ccc(C(=O)NC2=NC(=O)/C(=C/c3ccc(-c4[nH]cnc4C)o3)S2)cc1 28888616 YIBHNGRJQCSNGB-SXGWCWSVSA-N 392.440 3.687 10 1 GHCF Nc1ccc(C(=O)CCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587251392 FYBJQXFZBRGZBX-UHFFFAOYSA-N 395.418 3.736 10 1 GHCF CC1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1 72126151 IBCRXIBGOXMIPX-UHFFFAOYSA-N 381.428 3.809 10 1 GHCF COc1ccc(CN2CC[C@@H]3CC(=O)N(c4ccccc4)CC[C@H]3C2)c(O)c1 2356818975 DXYYWJFZKLXVQL-MSOLQXFVSA-N 380.488 3.666 10 1 GHCF CC(=O)OC[C@H](C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 59025956 FEQWVRKYPKUGSZ-KFVPTDEHSA-N 390.476 3.859 10 1 GHCF biogenic Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])cnc3[nH]1)[C@H]1CC=C[C@@H]21 587276877 OLKGZNQDHBQRFZ-IGCXYCKISA-N 392.375 3.909 10 1 GHCF COc1cccc2c1C(=O)c1c(ccc(Cc3ccccc3)c1OC(C)=O)C2=O 13454751 CYMJTNVOUSDCCM-UHFFFAOYSA-N 386.403 3.987 10 1 GHCF CCC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149646698 UXCLEYOUKHKKFI-INIZCTEOSA-N 380.488 3.519 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c2ccc(O)c3O)N1 587835849 YOKNKMZHDRFMAS-NIVTXAMTSA-N 378.241 3.723 10 1 GHCF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(N3CCCC3)cc2)N1 962970374 GQSWYHRXGBHFGZ-QFBILLFUSA-N 392.833 3.907 10 1 GHCF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586961585 KFKDVZXZZSBRHB-JTQLQIEISA-N 394.460 3.869 10 1 GHCF CN(C)Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587574879 ZJAWLMIFWSPXMQ-REWPJTCUSA-N 391.423 3.862 10 1 GHCF O=C(O)Cc1sc(/N=N/Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1O 169686941 ZADQLPPNYDUWDY-HTXNQAPBSA-N 388.361 3.928 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)cc(C=O)c2O)N1 587819855 BVIPYECGSVSJSD-VVVCHXIZSA-N 392.224 3.542 10 1 GHCF NC(=O)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cncc(Cl)c2)c1O 169307460 BVIBNUFKCIUHFH-FMQUCBEESA-N 387.743 3.555 10 1 GHCF Cc1ccc(C)n1-c1cc(CNCc2cccc(C(=O)O)c2)ccc1C(=O)O 1857611866 RBEMLBLPFDLAJE-UHFFFAOYSA-N 378.428 3.780 10 1 GHCF Oc1cc2c(c(Cl)c1O)CN(C(=S)NCCc1ccc(Cl)cc1)CC2 29123245 LSADHBRSTZPYPB-UHFFFAOYSA-N 397.327 3.880 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(N)=O)c3[nH]1)[C@@H]1CC=C[C@@H]21 587275358 CRZRCPDNNMKVEE-VPZZIHKRSA-N 389.415 3.705 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc([N+](=O)[O-])c3[nH]1)[C@H]1CC=C[C@@H]21 587277149 PTICCMQSVTWFKD-PEBVRCNWSA-N 392.375 3.909 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)ccc2O)N1 587822031 LCPYJLHJEVQOAS-LZVRBXCZSA-N 394.240 3.790 10 1 GHCF O=[N+]([O-])C(/N=N/c1ccc(F)cc1F)=C1\NCCN1Cc1ccc(Cl)nc1 103203755 KZFKNDWMLLWXTR-ALFBEORRSA-N 394.769 3.606 10 1 GHCF Cc1c(O)cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587821122 GVRAIGBMZLFVNI-QZTNRIJFSA-N 382.229 3.637 10 1 GHCF CCOc1ccc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)N=C2C)cc1OC 95557065 ZCWBLYMFLSTEPF-YVLHZVERSA-N 381.388 3.808 10 1 GHCF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cccc(C(F)(F)F)c2O)N1 963222693 LNBBNZRWZJSECH-IRXDYDNUSA-N 388.345 3.648 10 1 GHCF CCC=C(C)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356418654 RIVWATJNTMXUNJ-UHFFFAOYSA-N 390.391 3.580 10 1 GHCF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(O)c1O 587805786 HSFYJYVLTRLSOA-PWJLMRLQSA-N 382.229 3.632 10 1 GHCF CCCN1[C@H](C)Cc2ccccc2[C@@]12CC=Cc1cc(O)c(O)c(O)c1C2=O 963233439 UGHONYJKARKRSG-QKFKETGDSA-N 379.456 3.955 10 1 GHCF Nc1ccc(NC(=O)/C=C2\C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 40488885 HHIBQUYGKUKOLR-RZIFZGNASA-N 392.242 3.867 10 1 GHCF COc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587807873 OJEDAXXMFNKTSF-LZVRBXCZSA-N 396.256 3.935 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(O)cc2O)N1 587744967 IPVSYSQRFGBXAR-GYKQLYQFSA-N 397.200 3.531 10 1 GHCF COc1cc(O)cc(O)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806224 JCDZKUPGBHKURH-NIVTXAMTSA-N 396.256 3.806 10 1 GHCF CCCCc1c(-c2ccc(O)c(O)c2)oc2c(OC)c(OC)cc(O)c2c1=O 13822661 OHAWNBLGBJUSRO-UHFFFAOYSA-N 386.400 3.937 10 1 GHCF Nc1ccc2c(S(=O)(=O)O)cccc2c1/N=N/c1ccc([N+](=O)[O-])cc1O 31308754 QMBHVARIFRNEEE-VHEBQXMUSA-N 388.361 3.698 10 1 GHCF C[C@H]1CCCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C1 72124907 WISJEXBAGFPBGB-ZDUSSCGKSA-N 381.428 3.809 10 1 GHCF CC[C@]1(c2c(O)cc(O)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587822160 LPAMVQLSUJFHGF-LZVRBXCZSA-N 396.256 3.893 10 1 GHCF CCOc1n[nH]c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1Cl 587065718 XYRLFJPPOPQCOT-UHFFFAOYSA-N 392.802 3.781 10 1 GHCF OCC[C@H]1CN(Cc2c(O)ccc3ccccc23)CCN1CCc1ccccc1 19741730 HGTYCMHBEZWDJZ-QFIPXVFZSA-N 390.527 3.657 10 3 GHCF O=C1N=C(N[C@H](CO)c2ccccc2)S/C1=C\c1ccc2ncccc2c1 28821314 CYEVBLXFLGQSPY-GEBKJHSDSA-N 375.453 3.528 10 1 GHCF CN(CCO)c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587193108 SLBUYNWEBVVWCP-UHFFFAOYSA-N 382.208 3.699 10 1 GHCF COc1cc(OC)c2c(c1)C(=O)c1cc(O)c([C@@H]3CCC[C@H](C)O3)c(O)c1C2=O 13374844 QUTAPJWSNWFOGY-BONVTDFDSA-N 398.411 3.521 10 1 GHCF biogenic CO[C@@]12C=C(c3ccc(OC(C)=O)c4ncccc34)[C@H]1C(=O)c1ccccc1C2=O 96934668 CHQCQBRXPSDFPY-RDPSFJRHSA-N 399.402 3.638 10 1 GHCF CC[N+](CC)(CC)Cc1cc(OC)c2c(c1)C(=O)c1cccc(OC)c1C2=O 95588184 CDAAQBRHZKXBLC-UHFFFAOYSA-N 382.480 3.856 10 1 GHCF CCOC(=O)n1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 64453484 YXJIFDAMYGQWTQ-HXUWFJFHSA-N 375.428 3.793 10 1 GHCF CC(C)Cn1cc2c3c(cccc31)[C@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 40374027 NRMCOBVLHDZQFD-BKHVUNAHSA-N 398.547 3.570 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(O)c(O)cc32)N1 587835750 XWURTNVLOIWLTE-LZVRBXCZSA-N 378.241 3.723 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@H](O)c4ccccc43)[nH]c21 586903843 QLKZYZWSDZFXDO-HKUYNNGSSA-N 380.403 3.907 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc([N+](=O)[O-])c2O)N1 587743892 FSBGQEWMKLZBOZ-AYVTZFPOSA-N 381.201 3.826 10 1 GHCF Cc1c(CC(=O)O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 45337866 OGQTZGPSYPTJBR-UHFFFAOYSA-N 387.432 3.622 10 1 GHCF O=C1CSC(=S)N1[C@@H](Cc1ccccc1)c1nnc(-c2ccccc2)o1 103264828 BQPHCAZPXCMERA-HNNXBMFYSA-N 381.482 3.881 10 1 GHCF Cc1[nH]n(S(=O)(=O)c2ccccc2)c(=O)c1N=Nc1cccc(Cl)c1 299849702 QPKYMBCYMDMSDU-UHFFFAOYSA-N 376.825 3.791 10 1 GHCF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2c(O)cccc2F)N1 963186535 UJHYERAFTQVQTK-ZUZCIYMTSA-N 389.732 3.892 10 1 GHCF CCN(CC)CCOc1cc(O)c2c3c(oc2c1)C(=O)c1ccccc1C3=O 13651671 FJBLONNLEOUZHM-UHFFFAOYSA-N 379.412 3.634 10 1 GHCF Cc1ccc2nc(C[C@H]3CN(Cc4ccccc4O)CC[C@@H]3CC(=O)O)[nH]c2c1 2356316730 LKSFCUNIADOOTK-AEFFLSMTSA-N 393.487 3.732 10 1 GHCF CN(C)c1ccc2cccc(O[C@@H]3CCN(c4ccc5c(c4)OCO5)C3)c2n1 28384094 HXNOTTLXXWTHSE-QGZVFWFLSA-N 377.444 3.687 10 1 GHCF C[C@@]1(c2ccc(O)c(CN3CCOCC3)c2)c2ccc(F)cc2C[C@H]2CCCN21 963116381 WNYDJDYZJPARHJ-ZJSXRUAMSA-N 396.506 3.648 10 1 GHCF CC(C)CCOC(=O)[C@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])ccc1O 1548796 GDGMJVBCSDZLFZ-IBGZPJMESA-N 386.448 3.591 10 1 GHCF CC(C)Cn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 29489144 NRMCOBVLHDZQFD-ISAFILGBSA-N 398.547 3.570 10 1 GHCF CCCc1sc(=N)[nH]c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587013668 WMMWKZFQAWDOKB-UHFFFAOYSA-N 388.452 3.827 10 1 GHCF Cc1cc([C@]2(C)NCCc3c(C(=O)O)cccc32)c(O)cc1Br 963126691 WXKCESPILYFLKI-GOSISDBHSA-N 376.250 3.571 10 1 GHCF O=c1cc(-c2ccc(O)cc2)oc2c(-c3ccc(O)c(O)c3)c(O)cc(O)c12 1857638649 GREFULAMDLKKIZ-UHFFFAOYSA-N 378.336 3.655 10 1 GHCF CCN(CC)Cc1cc(Nc2ccnc3ccc4c(nnn4C)c23)ccc1O 1648559 HYCMWDIASUIOOT-UHFFFAOYSA-N 376.464 3.808 10 1 GHCF COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2NC(C)=O)cc(O)c1O 73198662 DRTNAOHQFUQPBK-UHFFFAOYSA-N 392.411 3.984 10 1 GHCF O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccccc1 28764403 ZRDHXFUVIIQRBZ-UHFFFAOYSA-N 379.504 3.836 10 1 GHCF O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(Cc3ccc(O)c(O)c3)c(O)c12 238762769 ZIZJSFSVFIWUOZ-UHFFFAOYSA-N 392.363 3.579 10 1 GHCF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O 587804495 BNJIJXQPQSGXJP-CQLKUDPESA-N 382.229 3.632 10 1 GHCF C[C@@H]1CC(C)(C)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 13339834 BTFODKJEEKUOHG-SECBINFHSA-N 384.384 3.947 10 1 GHCF biogenic O=C(Cc1cccs1)Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 28766470 ZSPMKKLTGGERJT-UHFFFAOYSA-N 399.560 3.827 10 1 GHCF CCN(CC)c1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2)cc1 58581536 QSGXVBYFOGLRIO-GOSISDBHSA-N 383.492 3.997 10 1 GHCF Cc1nc2c(C(=O)NC3CCCC3)cnn2c(O)c1Cc1cccc(Cl)c1 82230260 KUQBFLLXODQJEZ-UHFFFAOYSA-N 384.867 3.660 10 1 GHCF CN1CCc2cc([C@H]3N[C@@H](C(=O)O)Cc4c3cc(F)cc4C(F)(F)F)ccc21 962695521 IFVLMJIROFOTLS-SJLPKXTDSA-N 394.368 3.525 10 1 GHCF COc1c(F)ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1N 587133617 WLDBEPSSPHSTLX-UHFFFAOYSA-N 387.370 3.735 10 1 GHCF COc1ccccc1-n1c(C)cc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1C 962901545 QTFNOAYYKOPUAN-UGKGYDQZSA-N 394.446 3.930 10 1 GHCF CNc1cccc2c1C(=O)c1ccccc1[C@@]21NCCc2c1c(C(C)C)nn2C 962912642 ACZTUEOXGCUREI-XMMPIXPASA-N 386.499 3.567 10 1 GHCF CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(Cc3ccncc3)C2=O)cc1 84636010 NMCDGVZQMTUVND-CJLVFECKSA-N 382.467 3.978 10 1 GHCF O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2cccc(F)c2)c1 6529800 FRUIQFAODWYXKN-KGENOOAVSA-N 388.398 3.866 10 1 GHCF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1ccc(N3CCNCC3)cc12 61924103 UEHKIYSUCIQWLM-GCJKJVERSA-N 377.488 3.667 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(CN(C)C)c2)N1 587742427 RIQMGLDNLFTUDR-NSPYISDASA-N 393.300 3.979 10 1 GHCF O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1ccc(N2CCNCC2)cc1 299869547 UYINNJSSGNGUET-QGOAFFKASA-N 398.919 3.832 10 1 GHCF O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1nc2ccccc2[nH]1 103175736 CZLVQDRBYFQBLV-DHDCSXOGSA-N 396.453 3.873 10 1 GHCF CNC(=O)c1cccc2c(Nc3cc(N)cc(CO)c3)c3cccc(C)c3nc12 27524658 KQTHSLHZYIJYQL-UHFFFAOYSA-N 386.455 3.874 10 1 GHCF CO[C@@H]1c2c(O)c(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O 85840209 LBJNLIBZUVWVTE-WIRSXHRWSA-N 376.449 3.617 10 1 GHCF in-man COc1cc2c(c(O)c1O)C(=O)[C@H]1CCC(=O)N1[C@H]2c1cccc2ccccc12 1654651 GDEKEEAROVIPQQ-UZLBHIALSA-N 389.407 3.536 10 1 GHCF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587265198 UVZHRRFHIRACGG-JLZZUVOBSA-N 394.431 3.598 10 1 GHCF Cc1c(O)cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587823249 SXFYBXQQWJUQRV-GYKQLYQFSA-N 382.229 3.637 10 1 GHCF CC(=O)N1CCN(c2ccc([C@H]3c4c(F)cccc4C[C@@H]4CCCN43)cc2)CC1 963115387 WBOHPHQZNIYKRK-URXFXBBRSA-N 393.506 3.604 10 1 GHCF COc1cc(C[C@@H](C)[C@@H](C)Cc2cc(OC)c(O)c(OC)c2)cc(O)c1O 14437592 OAHJZEWASFRGKJ-OLZOCXBDSA-N 376.449 3.887 10 1 GHCF biogenic CCOC(=O)c1sc(N2N=C(C)[C@H](N=Nc3cccc(C)c3)C2=O)nc1C 253921222 VWWACEFJSDMIAT-AWEZNQCLSA-N 385.449 3.812 10 3 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])cnc3[nH]1)[C@H]1CC=C[C@H]21 587276876 OLKGZNQDHBQRFZ-DCGLDWPTSA-N 392.375 3.909 10 1 GHCF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@@]32C(=O)CCC(=O)C(=O)CC1 2356765970 BPFQGYYSWWQTFO-QBSWXWBKSA-N 399.531 3.573 10 1 GHCF COc1cc2c3c(n(CCCN=[N+]=[N-])c(=O)c2cc1OC)-c1ccccc1C3=O 28711269 JBTBHCRLGRFDCK-UHFFFAOYSA-N 390.399 3.931 10 1 GHCF Oc1ccc(CN(Cc2ccc(O)c(O)c2)c2ccc3cn[nH]c3c2)cc1O 64504183 UTWQGCNVEJJEQY-UHFFFAOYSA-N 377.400 3.592 10 1 GHCF Cc1c(O)ccc2c1[C@H](c1cc(-c3ccc(F)cc3)ccc1O)N[C@H](C(=O)O)C2 963474977 YAJBTLCCOAPQPP-AVRDEDQJSA-N 393.414 3.901 10 1 GHCF Cc1c(C)c2c(c(Cn3cc(-c4ccc(O)c(O)c4)nn3)c1O)CCC(C)(C)O2 49807973 QSOJOAIYPYOSPV-UHFFFAOYSA-N 395.459 3.831 10 1 GHCF CCCN(CCC)CC(=O)N1N=C(C)C[C@@H]1c1cc(Br)ccc1O 653729261 RORXMRKXCOSALE-MRXNPFEDSA-N 396.329 3.926 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc([N+](=O)[O-])c2O)N1 587743897 FSBGQEWMKLZBOZ-VXJOIVPMSA-N 381.201 3.826 10 1 GHCF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc(Cl)c(F)cc2O)N1 962981494 VBZQDGOGZQFAFK-NHYWBVRUSA-N 392.160 3.805 10 1 GHCF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N(CCO)C(C)(C)C)c1 13762641 KBOHJYSZCLCAGO-OCOZRVBESA-N 391.907 3.615 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cc(O)cc2O)N1 587823234 SUYHVSGIQVQVAJ-RBHXEPJQSA-N 382.229 3.503 10 1 GHCF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCNc1c2ccccc2nc2ccccc12 40587762 NMXILYPHEODMRP-RWFYYTQISA-N 383.451 3.607 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)cc2[N+](=O)[O-])N1 587746711 KKVCKVONDCNEAW-VGDKGRGNSA-N 397.200 3.531 10 1 GHCF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc(OCc3ccccc3)ccc2O)N1 962922052 OKFIOQPRJVAHSB-UGKGYDQZSA-N 393.414 3.799 10 1 GHCF Cc1ccc(CN2CCN(CC(=O)/N=N/c3c(O)[nH]c4ccccc34)CC2)cc1 101700383 GMVFIALHWGAYQY-OCOZRVBESA-N 391.475 3.610 10 1 GHCF O=C(NCc1ccccn1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12 15952454 RJXJNFLDPOFGSO-MPGHIAIKSA-N 389.377 3.750 10 1 GHCF Cc1ccc(N=Nc2c(O)nc3ccccc3c2O)c(S(=O)(=O)N(C)C)c1 253993210 OUECECSFOVBXOS-UHFFFAOYSA-N 386.433 3.620 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c2ccc(O)c3O)N1 587835844 YOKNKMZHDRFMAS-DYBLOJMWSA-N 378.241 3.723 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])cnc3[nH]1)[C@@H]1CC=C[C@@H]21 587276878 OLKGZNQDHBQRFZ-XNJGSVPQSA-N 392.375 3.909 10 1 GHCF CN(C)CCNC(=O)c1cccc2c(N)c3cc(-c4ccccc4)ccc3nc12 27717454 BLYHOQOTJXIEFT-UHFFFAOYSA-N 384.483 3.929 10 1 GHCF Cc1ccccc1NC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O 1857768904 OIAKINSMUJYPLN-UHFFFAOYSA-N 381.391 3.670 10 1 GHCF Cc1cc(N)c(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587751373 YCMLTENJDPKNKL-MGNBDDOMSA-N 379.273 3.982 10 1 GHCF CC(=O)N1CCN(c2ccc([C@@H]3c4c(F)cccc4C[C@@H]4CCCN43)cc2)CC1 963115388 WBOHPHQZNIYKRK-XUZZJYLKSA-N 393.506 3.604 10 1 GHCF CNC(=O)c1cc(Oc2ccc3c(C)c(C(=O)OC(C)C)n(C)c3c2)ccn1 1772643306 MWOHRNDSTAAPSK-UHFFFAOYSA-N 381.432 3.599 10 1 GHCF CC=C1CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@]2(C)C[C@]1(C)C(=CO)C(=O)OC 2356646470 DIWCLEKUQXTXKA-BHVFFLMSSA-N 382.504 4.000 10 1 GHCF CN(C)[C@H]1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)C1 38142056 XIHNPVJFZXLPOA-NRFANRHFSA-N 391.515 3.793 10 3 GHCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 45259559 OUHPYJHCRXBVSB-FQEVSTJZSA-N 388.383 3.687 10 1 GHCF CN1CCc2cc([C@@H]3N[C@H](C(=O)O)Cc4c3cc(F)cc4C(F)(F)F)ccc21 962695523 IFVLMJIROFOTLS-WMZOPIPTSA-N 394.368 3.525 10 1 GHCF Cc1ccc(S(=O)(=O)/N=[N+](\[O-])c2c(-c3cccs3)nn(C)c2C)cc1 71341079 LMNQYBAVLMXVDB-ZZEZOPTASA-N 376.463 3.748 10 1 GHCF Cc1ccc([N+](=O)[O-])cc1N[C@@H]1[C@@H]2C(=O)C(=O)c3ccccc3[C@H]2OC1(C)C 45287711 UIUSKAFVOLYMHU-NSISKUIASA-N 380.400 3.615 10 1 GHCF CN1C(=O)/C(=C/N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)SC1=S 653861082 AVIICVWMZMQLMG-JIHKLPAASA-N 395.509 3.875 10 1 GHCF CCC(=O)N1N=C(C)C[C@H]1c1cc(Br)cc(Br)c1O 653739152 IOBBGNSDKJLVPD-NSHDSACASA-N 390.075 3.977 10 1 GHCF Oc1ccc([C@@H]2C(c3ccccc3)=NN=C(c3ccccc3F)N2O)c(O)c1 978237 PFVLFSHQVOXKQN-HXUWFJFHSA-N 377.375 3.834 10 3 GHCF CO[C@@H]1c2c(O)c(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@@H]1OC3=O 14688366 LBJNLIBZUVWVTE-IKVWTGGYSA-N 376.449 3.617 10 1 GHCF endogenous,in-man O=[N+]([O-])c1ccc(O)c(C/N=N/c2ncnc3c2cnn3-c2ccccc2)c1 169691676 DTIJBVYNWLFURD-XTQSDGFTSA-N 375.348 3.713 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc([N+](=O)[O-])c2O)N1 587746633 NCPUURHVEIZMKL-XYZCENFISA-N 395.228 4.000 10 1 GHCF COc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587806166 IJZNYOVJPUEGFG-NIVTXAMTSA-N 396.256 3.935 10 1 GHCF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1CC(c2ccc(O)cc2)=NN1 1857585804 KOMUYWKMCDOGKU-HXUWFJFHSA-N 384.443 3.511 10 1 GHCF CN(C)c1ccc(CNC(=O)[C@@]2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1 61927240 NJNPXPUPXMQPCI-XMMPIXPASA-N 387.483 3.825 10 3 GHCF CC(C)=CCc1c(O)c(C)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O 238788211 JUIWWCCGMSADRJ-UHFFFAOYSA-N 384.384 3.805 10 1 GHCF NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 96903214 FKUVKSPJYZPZMG-UHFFFAOYSA-N 392.484 3.832 10 1 GHCF CC(=O)N[C@H](C)CCc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149969232 XVSVNYQYPIHVDW-MRXNPFEDSA-N 380.488 3.519 10 1 GHCF COc1cc(C[C@@H](C)[C@H](C)Cc2cc(OC)c(O)c(OC)c2)cc(O)c1O 14437595 OAHJZEWASFRGKJ-CHWSQXEVSA-N 376.449 3.887 10 1 GHCF biogenic,in-vitro COC(=O)Cc1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587783389 QJHGUQQKANIYSE-UHFFFAOYSA-N 396.402 3.721 10 1 GHCF CCC(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1O 869273 ABJGSRDVXYFXBQ-GOSISDBHSA-N 384.819 3.938 10 1 GHCF COc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587807872 OJEDAXXMFNKTSF-DYBLOJMWSA-N 396.256 3.935 10 1 GHCF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2c(O)cccc2F)N1 963186526 UJHYERAFTQVQTK-BMIGLBTASA-N 389.732 3.892 10 1 GHCF COc1cc(OC)c2nc3ccccc3c(NCCCN(C)C)c2c1[N+](=O)[O-] 5852457 UUHCTQRUDHLPTD-UHFFFAOYSA-N 384.436 3.677 10 1 GHCF COc1ccc(O)c([C@]2(CCC(=O)O)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963119810 ZMWRRYNZOBFYBP-AOMKIAJQSA-N 385.435 3.669 10 1 GHCF CO[C@H]1CCCC[C@H]1Nc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 1772576521 DHGLGPFQWGPHJR-ZBFHGGJFSA-N 393.468 3.836 10 1 GHCF COc1ccc(O)c(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1 15074546 OVIPXNGBMSFAND-UHFFFAOYSA-N 398.507 3.563 10 3 GHCF CCN(CC)c1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NN2)cc1 64373155 QSGXVBYFOGLRIO-SFHVURJKSA-N 383.492 3.997 10 1 GHCF C[C@H](NC(=O)C(F)F)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149957592 SWSPHJNVAOYWDY-ZDUSSCGKSA-N 388.414 3.504 10 1 GHCF CN1CCc2cc([C@@H]3N[C@@H](C(=O)O)Cc4c3cc(F)cc4C(F)(F)F)ccc21 962695518 IFVLMJIROFOTLS-AEFFLSMTSA-N 394.368 3.525 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])ccc2O)N1 587748804 WNMRJNISLZCWQY-HUTHGQBESA-N 395.228 4.000 10 1 GHCF CO[C@H]1CCCC[C@@H]1Nc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 1772576520 DHGLGPFQWGPHJR-HOCLYGCPSA-N 393.468 3.836 10 1 GHCF COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@H](C)N(C)C)c3nc12 27852552 GVEYKYRTFVKZLF-AWEZNQCLSA-N 388.471 3.625 10 1 GHCF O=C(C[C@H]1SC(N=Nc2c(O)[nH]c3ccccc23)=NC1=O)Nc1ccccc1 617989199 LKJSSEINCOQELN-CQSZACIVSA-N 393.428 3.984 10 1 GHCF CCC(=O)NCCc1c(CN2CCc3ccccc32)[nH]c2ccc(OC)cc12 40859858 QVMUEKPERCNRJQ-UHFFFAOYSA-N 377.488 3.808 10 1 GHCF Cc1ccc(C(=O)N2NC(=O)/C(=C\c3ccc(O)cc3)N=C2c2ccccc2)cc1 64504020 BSZJIOYNWDAJNA-RCCKNPSSSA-N 397.434 3.676 10 1 GHCF NS(=O)(=O)c1ccc(N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1 253993135 IWDDMLCHUYBHHD-UHFFFAOYSA-N 395.238 3.699 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C34CCC(CO)(CC3)CC4)[nH]c21 586895712 VIAJAGZTRVLBSJ-UHFFFAOYSA-N 386.451 3.923 10 1 GHCF COc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587807875 OJEDAXXMFNKTSF-YYSFKGJASA-N 396.256 3.935 10 1 GHCF CCCCN(CCCC)C(=S)NN/C=C1\C(=O)N(c2ccccc2)N=C1C 15974423 QEGFLIJDGSATNP-SDXDJHTJSA-N 387.553 3.574 10 3 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)ccc2O)N1 587822167 LPCQFGYTXXMFKC-YYSFKGJASA-N 394.240 3.790 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc3c2OCO3)N1 587833630 GYCVDRPECYFKIY-ZKANADHPSA-N 380.213 3.646 10 1 GHCF O=C1c2c(cc3oc4cc(O)c(O)cc4c3c2O)O[C@H]1Cc1ccc(O)cc1 1857637733 OWIAUHYKEBQUNU-KRWDZBQOSA-N 378.336 3.595 10 1 GHCF O=Cc1cc(Cl)cc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1O 962719237 XQHBVIPTLMKDBU-CABCVRRESA-N 383.753 3.593 10 1 GHCF Cc1ccc([N+](=O)[O-])cc1N[C@@H]1[C@@H]2C(=O)C(=O)c3ccccc3[C@@H]2OC1(C)C 169300410 UIUSKAFVOLYMHU-LSTHTHJFSA-N 380.400 3.615 10 1 GHCF CSc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 27857705 BCMJPXZCRVUTHA-UHFFFAOYSA-N 390.512 3.950 10 1 GHCF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3F)C2)cc1 142279533 SVHUYVUAEBCZEO-AWEZNQCLSA-N 384.451 3.832 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)c([N+](=O)[O-])c2)N1 587749044 ZYBDYTOSWILCEC-NZFNHWASSA-N 397.200 3.531 10 1 GHCF Cc1c(O)c(C=O)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587821010 GISNXJAUPQKIDK-BCTVWOGZSA-N 394.240 3.744 10 1 GHCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(N)=O)cc1 84604031 LQPIEDUQHPISOP-UHFFFAOYSA-N 392.455 3.748 10 1 GHCF O=c1cc(-c2cc(O)c(O)c(Cc3ccccc3)c2)oc2cc(O)cc(O)c12 653816398 LNLWXRSUJGVDDF-UHFFFAOYSA-N 376.364 3.873 10 1 GHCF Cc1ncc(-c2ccn(C)c(=O)c2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 209440905 TWRSCHYJESAPBR-MOPGFXCFSA-N 398.466 3.881 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)O)cc2O)N1 587824061 YHWKOTPZALOCDK-LZVRBXCZSA-N 394.240 3.790 10 1 GHCF N=C(N)c1ccc(N2CCN(c3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1 103179165 NAPYBSALMGTHHY-UHFFFAOYSA-N 396.498 3.841 10 1 GHCF CC(C)Cn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@H](C)[C@H](C)O)CN(C)[C@@H]1C2 253633754 NRMCOBVLHDZQFD-OWHJJQAOSA-N 398.547 3.570 10 1 GHCF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)O2 28567003 BDHGMTIQVMPVCU-DRGXBFSJSA-N 397.471 3.642 10 1 GHCF OCCN1CCN(C/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 29488794 NSDIQFRKBPQHEG-IDUWFGFVSA-N 386.948 3.846 10 1 GHCF Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](OCc1ccccc1)C2 49067767 ROEWOOYLZDTOEK-FCHUYYIVSA-N 380.396 3.771 10 1 GHCF Cc1c(O)c(C=O)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587823849 WTHCBOSJWORCOL-PWJLMRLQSA-N 394.240 3.744 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(O)cc2O)N1 587744968 IPVSYSQRFGBXAR-HYORBCNSSA-N 397.200 3.531 10 1 GHCF CCC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149646880 UXCLEYOUKHKKFI-MRXNPFEDSA-N 380.488 3.519 10 1 GHCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(N3CCOCC3)cc2O)N1 962953141 PYNREOPRGXZNLA-GYCJOSAFSA-N 391.515 3.898 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(N)=O)cc3[nH]1)[C@H]1CC=C[C@@H]21 587277671 ZTIRAQIHIWXOEI-TYILLQQXSA-N 389.415 3.705 10 1 GHCF COc1ccc(-c2c(C)nc3c(N4CC[C@@H](N=[N+]=[N-])C4)cc(C)nn23)cc1OC 1911582614 UXSAGWNWQRYKEX-OAHLLOKOSA-N 393.451 3.919 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c2ccc(O)c3O)N1 587832077 JDUCZLJUJWVAHI-NIVTXAMTSA-N 378.241 3.723 10 1 GHCF Oc1c(Cl)cc(Br)cc1[C@H]1NCCc2nc3ccccn3c21 962981040 CZNFJSCHWGSSTD-CQSZACIVSA-N 378.657 3.691 10 1 GHCF CN(C)c1ccc(-c2nc3cc(OCCOCCOCC[18F])ccc3o2)cc1 103073589 IXWYRQOHGLPBMP-KVTPGWOSSA-N 387.442 3.942 10 1 GHCF CCCc1c(O)ccc2c1O[C@H](c1cc(CN(C)C)c(O)c(OC)c1)CC2=O 587467614 FRCHXXNIYLKHNI-IBGZPJMESA-N 385.460 3.827 10 1 GHCF C[C@@H]1CC[C@@H]2C(=O)O[C@@H](CN=[N+]=[N-])CN2[C@@H]1c1ccc(Br)cc1 169368097 AREWGIRYUHHIQN-KAOXEZKKSA-N 379.258 3.826 10 1 GHCF CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)OCCCN=[N+]=[N-])O2 473136020 MVIBUBGYZVKHCP-LJQANCHMSA-N 375.425 3.864 10 1 GHCF Cc1c(O)cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587823251 SXFYBXQQWJUQRV-QZTNRIJFSA-N 382.229 3.637 10 1 GHCF C[C@H]1c2cc(O)c(O)cc2CCN1C(=S)NCCc1ccc(Cl)cc1 29132361 DFEBPROLZMYISD-LBPRGKRZSA-N 376.909 3.788 10 1 GHCF COc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587806575 KCDBORJZVZSSID-LZVRBXCZSA-N 396.256 3.935 10 1 GHCF Cc1[nH]n(S(=O)(=O)Cc2ccccc2)c(=O)c1N=Nc1ccccc1Cl 299849352 JZBBMXYAROGVTC-UHFFFAOYSA-N 390.852 3.932 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2O)OCO3)N1 587833485 GOOGGJVBMMAXNU-DYBLOJMWSA-N 394.240 3.820 10 1 GHCF O=C(O)CNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 4719715 LOWRMFOZCMJCQZ-PJSUUKDQSA-N 382.847 3.981 10 1 GHCF COc1cc(O)cc(O)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587807333 NBPNLLSLZKZWOB-DYBLOJMWSA-N 396.256 3.806 10 1 GHCF C[C@@H]1CC[C@H]2C(=O)O[C@@H](CN=[N+]=[N-])CN2[C@@H]1c1ccc(Br)cc1 169368100 AREWGIRYUHHIQN-KJEVXHAQSA-N 379.258 3.826 10 1 GHCF COc1cc(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(O)c1O 587785455 MCFUGWACSPLSNX-IHWYPQMZSA-N 386.717 3.567 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(N)=O)c3[nH]1)[C@@H]1CC=C[C@H]21 587275357 CRZRCPDNNMKVEE-QUJCMNEKSA-N 389.415 3.705 10 1 GHCF Oc1cc(-c2nc(Cc3ccc4cn[nH]c4c3)c3ccccc3n2)cc(O)c1O 58590882 GPCKUANDUPMQDH-UHFFFAOYSA-N 384.395 3.881 10 1 GHCF CN(C)c1ccc(CN2CCOC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 2356317601 FNULHUUFHFHTJG-OAQYLSRUSA-N 380.467 3.855 10 1 GHCF Cc1cc(/N=N/Cc2ccc(O)cc2)nc(NS(=O)(=O)c2ccccc2)n1 169689394 SHQASGNEEFYYDV-ZBJSNUHESA-N 383.433 3.575 10 1 GHCF CC1=NN(C(=O)CN2CCC(c3ccccc3)CC2)[C@H](c2ccccc2O)C1 653729210 FLPAMCRZCYFSHD-NRFANRHFSA-N 377.488 3.921 10 1 GHCF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCc1ccc(N(C)C)cc1 82204378 QFNNDHRGWJBJOF-UHFFFAOYSA-N 394.567 3.528 10 1 GHCF CO[C@]12C=C(c3ccc(OC(C)=O)c4ncccc34)[C@@H]1C(=O)c1ccccc1C2=O 96934671 CHQCQBRXPSDFPY-HYBUGGRVSA-N 399.402 3.638 10 1 GHCF Cc1ccc(CN2CCN(CC(=O)N=Nc3c(O)[nH]c4ccccc34)CC2)cc1 299813132 GMVFIALHWGAYQY-UHFFFAOYSA-N 391.475 3.610 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)cc(C=O)c2O)N1 587823330 UDMWFTMVMQVUQC-HUTHGQBESA-N 392.224 3.542 10 1 GHCF Nc1ccc(Oc2ccc3nc(CCNC(=O)Cc4ccccc4)[nH]c3c2)cc1 587228980 WSSQLQPTMDTTNV-UHFFFAOYSA-N 386.455 3.839 10 1 GHCF CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@]23CCCC(C)(C)[C@@H]2[C@@]1(OC)OC3=O 14725078 MCHRWEBHSKWYBW-HXHBTQRASA-N 390.476 3.886 10 1 GHCF endogenous,in-man O=C(CCSC(=S)NCc1cccnc1)c1c[nH]c2ncc(Cl)cc12 1857573607 IJLSPWQHBOLPEZ-UHFFFAOYSA-N 390.921 3.992 10 1 GHCF C[C@H]1CN(c2cccc(NS(=O)(=O)c3cccc4ccccc34)c2)C[C@@H](C)N1 38239019 UWHJGXUDWCFHDB-CALCHBBNSA-N 395.528 3.827 10 1 GHCF COc1ccccc1[C@@H]1CC(c2ccc3ccccc3c2O)=NN1C(N)=S 1772620038 XUGXEBBKAUMQJI-SFHVURJKSA-N 377.469 3.949 10 1 GHCF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(OC)c1 142179481 OMSNHBNKSBDDSL-INIZCTEOSA-N 398.503 3.949 10 1 GHCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)C5CC5)cc34)[C@H]21 95555941 MBJLMDSRRUKJFM-NRFANRHFSA-N 387.439 3.630 10 1 GHCF Cc1cc(N)c(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587751375 YCMLTENJDPKNKL-XTZNXHDOSA-N 379.273 3.982 10 1 GHCF CN1CCc2cc([C@H]3N[C@H](C(=O)O)Cc4c3cc(F)cc4C(F)(F)F)ccc21 962695520 IFVLMJIROFOTLS-FUHWJXTLSA-N 394.368 3.525 10 1 GHCF CCN1[C@H](c2ccc(Cl)cc2)[C@@H](CNCc2ccccc2O)C[C@]1(C)CO 299809238 JPXJCCBSAFYQMW-STZQEDGTSA-N 388.939 3.969 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c21 586889016 ZWUHIFFUHXECQV-HZSPNIEDSA-N 382.419 3.977 10 1 GHCF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O 587807418 NIDHLYWZZXVSTC-RBHXEPJQSA-N 382.229 3.632 10 1 GHCF CN(C)c1ccc(C=C2C(=O)Nc3ccc(I)cc32)cc1 1857624453 UKQFLSBOEQVNAM-UHFFFAOYSA-N 390.224 3.850 10 1 GHCF O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(-c3ccc(O)c(O)c3)c(O)c12 1857638270 IFFZYBANYKRWJC-UHFFFAOYSA-N 378.336 3.655 10 1 GHCF CN(C)CCNC(=O)c1cccc2nc3ccc4c(Cl)cccc4c3nc12 27853683 ZDVFWXMWQKHYJU-UHFFFAOYSA-N 378.863 3.881 10 1 GHCF COc1ccc([C@@H]2CC(c3ccccc3)=NN2/C=C2\SC(=S)NC2=O)cc1 299827612 GRPPJCRVHBXFPE-KMTKGMGQSA-N 395.509 3.836 10 1 GHCF O=C(Cc1ccc2c(c1O)C(=O)c1sccc1C2=O)OCc1ccccc1 299835315 YEJLIYQCMPZHBM-UHFFFAOYSA-N 378.405 3.515 10 1 GHCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(O)c(O)cc12 587607967 JLPDLFXTQVIEDI-UGKGYDQZSA-N 376.364 3.607 10 1 GHCF COc1cccc(-c2ccc(O)c(CNCc3cccc(OC)c3OC)c2)n1 12024926 AFGKWLYPTYMCNC-UHFFFAOYSA-N 380.444 3.770 10 1 GHCF Nc1ccc(CCN2C(=O)c3ccccc3[C@@]2(O)c2ccc(Cl)cc2)cc1 66124322 TXYQCSRWSKEAES-QFIPXVFZSA-N 378.859 3.814 10 1 GHCF COc1ccc2ncc(C=C[C@@]34NC(=O)CN3c3ccccc3C4(C)C)cc2c1 2356741894 AAHHTLIZFZOYIZ-XMMPIXPASA-N 385.467 3.881 10 1 GHCF COC(=O)Cn1c(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587390712 NJQAEXFEXSSKDO-LJQANCHMSA-N 378.428 3.720 10 1 GHCF C[C@H](Sc1ncccn1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586964012 VJDPLOVAIDEBGK-NSHDSACASA-N 386.436 3.982 10 1 GHCF COc1cccc(-n2ncc3c(/N=N/Cc4ccc(C(=O)O)cc4)ncnc32)c1 169685277 KQOOFFDFASQWBE-WJTDDFOZSA-N 388.387 3.806 10 1 GHCF C[C@@H]1c2cc(O)c(O)cc2CCN1C(=S)NCCc1ccc(Cl)cc1 29132363 DFEBPROLZMYISD-GFCCVEGCSA-N 376.909 3.788 10 1 GHCF CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)C[C@@H]1S(=O)(=O)O 40639847 HCHJSOSREULXTE-KRWDZBQOSA-N 394.452 3.906 10 1 GHCF CC1=NN(c2ccccc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N1CCOCC1 101838184 PLFYWIFRSBYYDN-VXPUYCOJSA-N 381.863 3.806 10 1 GHCF CC=C1CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@]2(C)C[C@@]1(C)C(=CO)C(=O)OC 2356646472 DIWCLEKUQXTXKA-TZMOSPSESA-N 382.504 4.000 10 1 GHCF O=C(NCCc1ccc(Cl)cc1)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857555900 POVPBGZRQMMEKZ-UHFFFAOYSA-N 379.799 3.681 10 1 GHCF CCOC(=O)COc1ccc(Oc2ccc(O)c(CN)c2)c(Cl)c1Cl 29347425 COECJINEIJLCRU-UHFFFAOYSA-N 386.231 3.892 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(O)c(O)cc32)N1 587835749 XWURTNVLOIWLTE-DYBLOJMWSA-N 378.241 3.723 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C(F)(F)c3ccccn3)[nH]c21 587090756 XEWLCFUVVSSPSK-UHFFFAOYSA-N 375.334 3.873 10 1 GHCF COc1cccc2cc3c(nc12)[C@@]1(CC(C)(C)Oc2cc(O)cc(O)c21)NCC3 963049138 AMSICDLACOLYLO-QHCPKHFHSA-N 392.455 3.605 10 1 GHCF CNc1cccc2c1C(=O)c1ccccc1[C@]21NCCc2c1c(C(C)C)nn2C 962912639 ACZTUEOXGCUREI-DEOSSOPVSA-N 386.499 3.567 10 1 GHCF Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1Cl)CC2 1857554396 DNWQBMYXQVYDLF-UHFFFAOYSA-N 397.327 3.880 10 1 GHCF COc1cc(O)cc2c1C(=O)c1c(cc3c(c1OC)[C@H]1CCC[C@@](C)(O3)O1)C2=O 2356569747 QTSKSEPNSYISBE-MCMMXHMISA-N 396.395 3.535 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=N)N)cc3[nH]1)[C@H]1CC=C[C@@H]21 587275250 ANFDKCMTTWHHTE-TYILLQQXSA-N 388.431 3.890 10 1 GHCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@]23CCCC(C)(C)[C@@H]2[C@@]1(OC)OC3=O 14725076 MCHRWEBHSKWYBW-OSZJIOELSA-N 390.476 3.886 10 1 GHCF endogenous,in-man COc1cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)cc4)C[C@H]3O2)cc(O)c1O 2356373194 UGUFBLZTUREIGQ-BIEQGAHLSA-N 386.444 3.587 10 1 GHCF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(O)c(O)c1O)O2 587404549 ROAHNLHAMOLFEF-JOCHJYFZSA-N 377.396 3.603 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)O)cc2O)N1 587824065 YHWKOTPZALOCDK-YYSFKGJASA-N 394.240 3.790 10 1 GHCF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@]32C(=O)CCC(=O)C(=O)CC1 2356765971 BPFQGYYSWWQTFO-YJYCZLHESA-N 399.531 3.573 10 1 GHCF COc1cc2c(c(O)c1O)C(=O)[C@@H]1CCC(=O)N1[C@H]2c1cccc2ccccc12 1654653 GDEKEEAROVIPQQ-JXFKEZNVSA-N 389.407 3.536 10 1 GHCF CNS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3ccc4ncsc4c23)cc1 29483605 SVTZEEKUJBHGLB-QZQOTICOSA-N 387.446 3.807 10 1 GHCF COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1Br 96922573 ZIEHDYQEQPYLGC-PTNGSMBKSA-N 399.244 3.798 10 1 GHCF N[C@@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C[C@@H]1c1ccccc1F 587154795 HGZIUDKASJCFHC-GYCJOSAFSA-N 397.409 3.819 10 1 GHCF CCOC(=O)[C@]1(C)C(/N=N\c2ccccc2OC)=C(O)C(=O)N1c1ccccc1 2324365 UYNUWBUJOFIREO-MUBPVYAGSA-N 395.415 3.917 10 1 GHCF C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(N(C)C)c(C2OCCO2)c1 474607999 LFEJYJYHHNKHDL-UHFFFAOYSA-N 385.460 3.885 10 1 GHCF CN1CCN(Cc2cc(CNC3(c4cccc(F)c4)CCCC3)ccc2O)CC1 473108848 OXKKGMLAVJSJBD-UHFFFAOYSA-N 397.538 3.838 10 1 GHCF O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@@H]1c1ccccc1O 103211774 KPOFIERWTNDOMN-LJQANCHMSA-N 383.411 3.655 10 1 GHCF [N-]=[N+]=NCCC[C@@H]1CC[C@]2(CC1=O)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962731763 UIHQOSBHJZKLJH-CDHAZOANSA-N 394.397 3.987 10 1 GHCF COc1ccc(-c2c(O)cc3c(c2O)C(=O)c2c(O)cc(C)cc2C3=O)cc1 1772638427 SNNIWGCXOFBJHD-UHFFFAOYSA-N 376.364 3.563 10 1 GHCF C[C@@H]1Cc2cc(O)c(O)cc2CN1C(=S)NCCc1ccc(Cl)cc1 29132190 JTBJYUMQQUOIOG-GFCCVEGCSA-N 376.909 3.615 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)cc2O)N1 587821663 JJSPURTXYVYNPF-PWJLMRLQSA-N 380.213 3.616 10 1 GHCF O=c1c2ccccc2nc2n1Cc1cc3c(CN4CCCCC4)c(O)ccc3nc1-2 28874444 GGUJTQXDPGODFQ-UHFFFAOYSA-N 398.466 3.665 10 1 GHCF Cc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3ccccc3O)C2)cc1 299866872 PQBUVRUUEWUAIN-NRFANRHFSA-N 377.488 3.864 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc3c2OCO3)N1 587833625 GYCVDRPECYFKIY-BCTVWOGZSA-N 380.213 3.646 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc([N+](=O)[O-])c2O)N1 587743895 FSBGQEWMKLZBOZ-GLEZIHRCSA-N 381.201 3.826 10 1 GHCF CC(C)[C@@H]1c2cc(O)c(O)cc2CCN1C(=S)NCCc1ccc(F)cc1 1857550045 DXJGLNHZKVTGSM-HXUWFJFHSA-N 388.508 3.909 10 1 GHCF Oc1cc2c(c(Cl)c1O)CCN(C(=S)NCCc1ccc(Cl)cc1)C2 29123241 BOACHVFKSHBFBT-UHFFFAOYSA-N 397.327 3.880 10 1 GHCF O=C(NCc1ccccn1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 103754669 RJXJNFLDPOFGSO-RVKKMQEKSA-N 389.377 3.750 10 3 GHCF COc1ccc(N2CCN(CCC[C@@H](OC(=N)O)c3ccccc3)CC2)cc1 1772625900 AXEBCOBGXAJDLJ-OAQYLSRUSA-N 383.492 3.848 10 1 GHCF CC(C)Cn1c2ccc(N)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 36338924 NTSCVTQLXOMFGW-UHFFFAOYSA-N 399.498 3.775 10 1 GHCF C[C@]1(c2ccccc2)C(=O)c2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 27902977 WUVOPORMJWAGDR-SFHVURJKSA-N 379.195 3.794 10 1 GHCF O=C(OCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O 13735432 GZDFLALHYSHFBG-UHFFFAOYSA-N 379.412 3.815 10 1 GHCF Cc1nc2cc(Nc3ccc(N)cc3)ccc2n1S(=O)(=O)c1ccccc1 49803637 FFECFMYBSVRZKZ-UHFFFAOYSA-N 378.457 3.908 10 1 GHCF COc1ccc(O)c([C@@]2(CCC(=O)O)c3ccc(F)cc3C[C@H]3CCCN32)c1 963119814 ZMWRRYNZOBFYBP-OPAMFIHVSA-N 385.435 3.669 10 1 GHCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCN=[N+]=[N-])c2ccccc21 587473316 RRGVBPMKFWJFSM-OAQYLSRUSA-N 392.415 3.862 10 1 GHCF CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)Nc1nccs1 8299901 XSTRUUDBKGTGCT-GJZGRUSLSA-N 389.521 3.734 10 1 GHCF biogenic COc1ccccc1CC(=O)c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587930866 QEQHHGKISDKIQA-UHFFFAOYSA-N 396.402 3.772 10 1 GHCF O=Cc1cc(Cl)cc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1O 962719265 XQHBVIPTLMKDBU-LSDHHAIUSA-N 383.753 3.593 10 1 GHCF O=C(CN1C(=O)/C(=C/c2ccccn2)SC1=S)Nc1ccc(Cl)cc1 1772641890 FYLXDRPUSYOHJP-ZROIWOOFSA-N 389.889 3.575 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2O)N1 587748111 SKPNUNWHSALKNN-ZKANADHPSA-N 381.201 3.826 10 1 GHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)cc1 142195404 JGNYOPRFWFAVNM-INIZCTEOSA-N 383.492 3.685 10 1 GHCF Nc1ccc(CCC(=O)Oc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1 53294909 CIFYDGGXSUVCQD-UHFFFAOYSA-N 392.455 3.736 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2O)N1 587743894 BYOSUZFPZSEZFL-VPTHRUTESA-N 381.201 3.826 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cc(O)cc2O)N1 587823232 SUYHVSGIQVQVAJ-CQLKUDPESA-N 382.229 3.503 10 1 GHCF COc1cc(C[C@H](C)[C@@H](C)Cc2cc(OC)c(O)c(OC)c2)cc(O)c1O 14437593 OAHJZEWASFRGKJ-STQMWFEESA-N 376.449 3.887 10 1 GHCF biogenic Cc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)cc(CC(=O)O)c2C)cc1 13643748 HIWNWPOCTOASRP-UHFFFAOYSA-N 383.469 3.792 10 1 GHCF O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCNc1c2ccccc2nc2ccccc12 102203699 NMXILYPHEODMRP-LATRNWQMSA-N 383.451 3.607 10 1 GHCF CCn1c2ccc(C(C)=O)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 29125408 HVFKDVGFDPVRIU-UHFFFAOYSA-N 398.466 3.760 10 1 GHCF Cc1ccc(C2=NN(C(=O)Cn3ccnc3)[C@@H](c3cc(Cl)ccc3O)C2)cc1 299857440 CWQFDXWJIMAUHJ-LJQANCHMSA-N 394.862 3.928 10 1 GHCF COc1ccc(N2CCN(C(=O)c3[nH]c4ccc(C(C)=O)cc4c3C)CC2)cc1 144978333 KNBHCSFZFNPVBO-UHFFFAOYSA-N 391.471 3.650 10 1 GHCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(CC(N)=O)c3ccccc13)CC2=O 587470585 LRGDXACWTWBWCC-FQEVSTJZSA-N 392.455 3.800 10 1 GHCF COc1ccc(C(=O)c2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)cc1 26746193 SSRWEUMKRTVQGJ-UHFFFAOYSA-N 394.515 3.823 10 1 GHCF C[C@@H](CN(C)C)Oc1cc2oc3c(c2cc1Cl)C(=O)c1cccnc1C3=O 28714000 JTKGQAOAZSNXIC-JTQLQIEISA-N 384.819 3.586 10 1 GHCF COc1cc(OC)c(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804933 DMFSUQWTEDNYQR-VVVCHXIZSA-N 396.256 3.935 10 1 GHCF CCCN1[C@@H](C)Cc2ccccc2[C@@]12CC=Cc1cc(O)c(O)c(O)c1C2=O 963233436 UGHONYJKARKRSG-LFVRLGFBSA-N 379.456 3.955 10 1 GHCF COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4c(O)c3c2cc1OC 1634802 KHZNSMOSJYLIKG-UHFFFAOYSA-O 380.420 3.780 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)ccc2O)N1 587822165 LPCQFGYTXXMFKC-LZVRBXCZSA-N 394.240 3.790 10 1 GHCF NC(=S)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12 84921222 FWZLGEMXULQBBJ-CCEZHUSRSA-N 378.049 3.726 10 1 GHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)nc1 1772609977 GVKSFXSFUFTJMA-AOMKIAJQSA-N 395.503 3.725 10 1 GHCF Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 169343486 OSGJPRDTSJJMRQ-UHFFFAOYSA-N 386.425 3.936 10 1 GHCF C[C@@H]1CC[C@@H]2C(=O)O[C@H](CN=[N+]=[N-])CN2[C@H]1c1ccc(Br)cc1 38792080 AREWGIRYUHHIQN-JUDXGUMMSA-N 379.258 3.826 10 1 GHCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@]1(OC)OC3=O 85925790 MCHRWEBHSKWYBW-RPHTVSPISA-N 390.476 3.886 10 1 GHCF in-man CN(C)CCNC(=O)c1cccc2c(N)c3cccc(-c4ccccc4)c3nc12 27735648 GHLLJKHXEZRDBU-UHFFFAOYSA-N 384.483 3.929 10 1 GHCF CCCCc1c(-c2ccc(O)c(O)c2)oc2cc(OC)c(OC)c(O)c2c1=O 2014147 GACVRTSXUTUTCB-UHFFFAOYSA-N 386.400 3.937 10 1 GHCF COc1c(C(C)C)c(O)c(O)c2c1[C@H](OC)[C@@H]1OC(=O)[C@@]23CCCC(C)(C)[C@H]13 104357038 DHNUPRDARUHAJK-OZIGNCPNSA-N 390.476 3.920 10 1 GHCF in-man Cc1ccnc2c1CCN[C@]2(COc1ccc(Cl)cc1)c1ccc(O)cc1O 963070624 OZILKXWZPQRWRK-JOCHJYFZSA-N 396.874 3.923 10 1 GHCF COc1cc2ncnc(Sc3nccs3)c2cc1OCCN1CCCC1 84757793 OHHHNVGNVQDHBZ-UHFFFAOYSA-N 388.518 3.721 10 1 GHCF CN(C)c1ccc2cccc(O[C@H]3CCN(c4ccc5c(c4)OCO5)C3)c2n1 28384100 HXNOTTLXXWTHSE-KRWDZBQOSA-N 377.444 3.687 10 1 GHCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c2ccc(O)c1O 587609324 OFXDDUUXOXLESS-GCJKJVERSA-N 376.364 3.607 10 1 GHCF CC[C@]1(c2cc(Br)cc([N+](=O)[O-])c2O)NCCc2ccc(O)cc21 963354225 VKDFJOKQKYGREX-KRWDZBQOSA-N 393.237 3.568 10 1 GHCF Cc1cc(C(=O)C(C)(C)C)c(C)n1-c1ccc(-c2nnn(C(=O)N(C)C)n2)cc1 96258080 RANAMAYHODRNSY-UHFFFAOYSA-N 394.479 3.506 10 1 GHCF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cccc(C(F)(F)F)c2O)N1 963222695 LNBBNZRWZJSECH-SJORKVTESA-N 388.345 3.648 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(O)cc2O)N1 587747084 PCEPNIOHNVZFTF-QZTNRIJFSA-N 397.200 3.531 10 1 GHCF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2cc3ccccc3s2)cc1 1857571238 YTCVXWWXESZMIX-OALUTQOASA-N 379.529 3.587 10 1 GHCF O=C(O)CCC1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccccc1O 58487464 CSAQGCUTNBOCTJ-SFHVURJKSA-N 388.876 3.841 10 1 GHCF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@@H](CC(C)C)NC(=O)[C@@]32C(=O)CCC(=O)C(=O)CC1 2356765969 BPFQGYYSWWQTFO-OLAVPOATSA-N 399.531 3.573 10 1 GHCF O=Cc1cc(Cl)cc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1O 962719255 XQHBVIPTLMKDBU-GJZGRUSLSA-N 383.753 3.593 10 1 GHCF COc1cc2c(c(O)c1O)C(=O)[C@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc12 1654652 GDEKEEAROVIPQQ-OXQOHEQNSA-N 389.407 3.536 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc([N+](=O)[O-])c2O)N1 587745638 JZYYJVRCKNMYAI-GLEZIHRCSA-N 381.201 3.826 10 1 GHCF Nc1ccc(CCC(=O)Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 53295094 DVIQZEYQXQTWGJ-UHFFFAOYSA-N 386.407 3.608 10 1 GHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cn1 1772622857 COSHFDSAUSDAGI-AOMKIAJQSA-N 395.503 3.725 10 1 GHCF O=S(=O)(Nc1ccc(O)c(Sc2ncn[nH]2)c1)c1ccc2ccccc2c1 96932741 FMZCPYKANPCRKB-UHFFFAOYSA-N 398.469 3.616 10 1 GHCF Oc1ccc2ccccc2c1[C@H](c1ccc2c(c1)OCO2)N1CCC(O)CC1 72178643 OTBUSLVAMDYVGD-QHCPKHFHSA-N 377.440 3.820 10 1 GHCF CC(C)=CCc1c(Cl)cc(Cl)c2c(C3C(=O)C(=O)CC(=O)C3=O)c[nH]c12 169717687 CDXBTSVSAFXYPA-UHFFFAOYSA-N 392.238 3.747 10 1 GHCF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCNc1c2ccccc2nc2ccccc12 28643312 NMXILYPHEODMRP-ZFJWPNLUSA-N 383.451 3.607 10 1 GHCF COc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587806227 JFANXAFRQQGPKB-LZVRBXCZSA-N 396.256 3.935 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(N)=O)cc3[nH]1)[C@@H]1CC=C[C@H]21 587277668 ZTIRAQIHIWXOEI-KSMMKXTCSA-N 389.415 3.705 10 1 GHCF O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1ccc(N3CCNCC3)cc12 102045868 UEHKIYSUCIQWLM-AVRDEDQJSA-N 377.488 3.667 10 3 GHCF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC3CC3)ncnc21 82221765 INKAONHPXVLVHX-UHFFFAOYSA-N 392.507 3.562 10 1 GHCF CO[C@@]12C=C(c3ccc(OC(C)=O)c4ncccc34)[C@@H]1C(=O)c1ccccc1C2=O 96934670 CHQCQBRXPSDFPY-YKSBVNFPSA-N 399.402 3.638 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(N)=O)cc3[nH]1)[C@H]1CC=C[C@H]21 587277670 ZTIRAQIHIWXOEI-NJSLBKSFSA-N 389.415 3.705 10 1 GHCF Cc1c(CC(=O)O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 73240734 DHWAYCUNDCOPLQ-UHFFFAOYSA-N 387.432 3.622 10 1 GHCF O=C(O)C[C@@H]1CCN(Cc2ccccc2O)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356302739 WSBFIOPZUANCBY-GOEBONIOSA-N 397.450 3.563 10 1 GHCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(N3CCOCC3)cc2O)N1 962953137 PYNREOPRGXZNLA-FYSMJZIKSA-N 391.515 3.898 10 1 GHCF CCCOc1ccc(N2CCN(C(=O)c3noc4c3CCCCC4)CC2)cc1 95557494 XHDNUORNUZMOQF-UHFFFAOYSA-N 383.492 3.695 10 1 GHCF CCCCCCOc1cc(O)c2c(c1)C(=O)c1cc(C(=O)O)cc(O)c1C2=O 103173488 SLQJVKHJSLCMQQ-UHFFFAOYSA-N 384.384 3.531 10 1 GHCF COc1cccc(-c2ccc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2)c1 1911586690 IQYVVWABVIWHKJ-UHFFFAOYSA-N 381.391 3.718 10 1 GHCF COc1ccccc1NC[C@@H](O)COc1ccc2c(c1)OC1(CCCC1)CC2=O 95586286 FHUIUJXBMKELMM-MRXNPFEDSA-N 397.471 3.825 10 1 GHCF COc1ccc(Cc2ccc3c(c2O)C(=O)c2sccc2C3=O)cc1OC 299835245 WPXWDSRMCBCQTO-UHFFFAOYSA-N 380.421 3.837 10 1 GHCF CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)Nc1cccc(O)c1 2356837065 LGIFMZIWXOSJIE-SJORKVTESA-N 398.503 3.983 10 1 GHCF C[C@H]1CC[C@H]2C(=O)O[C@H](CN=[N+]=[N-])CN2[C@@H]1c1ccc(Br)cc1 64479717 AREWGIRYUHHIQN-PUPMMZHASA-N 379.258 3.826 10 1 GHCF C[C@@H]1CCCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C1 72124906 WISJEXBAGFPBGB-CYBMUJFWSA-N 381.428 3.809 10 1 GHCF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(O)c1O 587596091 UNBBGGICLIMUGZ-UTKZUKDTSA-N 380.352 3.515 10 1 GHCF COc1cc(C)c(N)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587248676 FESRNMHXGFZLMB-UHFFFAOYSA-N 383.407 3.905 10 1 GHCF CSc1ccc(-c2c3c(nc4nc(O)[nH]c(=O)c24)-c2ccccc2C3=O)cc1 71330301 XMGJTNHAGAVWNP-UHFFFAOYSA-N 387.420 3.624 10 1 GHCF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1cc2c(cc1O)OCO2 962375189 RTBFSLKTLGURTI-NRFANRHFSA-N 382.485 3.843 10 1 GHCF COc1cc(C=Cc2cc(O)cc(O)c2Cc2ccc(O)c(O)c2)ccc1O 2356433263 DHOWKHPVWVNKPP-UHFFFAOYSA-N 380.396 3.984 10 1 GHCF COc1ccc(N2CCN(CCc3oc(O)nc3-c3ccc(F)cc3)CC2)cc1 26376793 OUWXZWQCGJZYLD-UHFFFAOYSA-N 397.450 3.560 10 1 GHCF C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)c1ccc2c(c1)OCCO2 1911572040 OAQWMUWORUNJHK-LBPRGKRZSA-N 391.265 3.684 10 1 GHCF COc1ccc(N2N=C(C)/C(=C\c3cn(C[C@H]4CO4)c4ccccc34)C2=O)cc1 653919249 FJVWOHAUVMFRPA-QVQQHXNLSA-N 387.439 3.855 10 1 GHCF O=C([C@@H]1Cc2ccccc2[C@@H](c2c(O)ccc3ccc(O)cc23)N1)C(F)(F)F 962764249 KYFDJSPAFUMNDK-LPHOPBHVSA-N 387.357 3.986 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)cc2[N+](=O)[O-])N1 587748079 SFYMDRQMFGFECM-GYKQLYQFSA-N 397.200 3.531 10 1 GHCF CN(C)S(=O)(=O)c1ccc(-c2csc(/N=N/Cc3ccco3)n2)cc1 169691865 UHTPDTVWEFXSFX-HTXNQAPBSA-N 376.463 3.937 10 1 GHCF CN1c2ccccc2[C@]2(C)C3=C(c4c([nH]c5ccccc45)[C@H]12)[C@](C)(O)N(C)C3=O 2356796246 MZXDXBLPJOYQGR-QTJGBDASSA-N 385.467 3.564 10 1 GHCF COc1cc(OC)c2c(c1)C(=O)c1cc(O)c([C@@H]3CCC[C@@H](C)O3)c(O)c1C2=O 13374843 QUTAPJWSNWFOGY-BMIGLBTASA-N 398.411 3.521 10 1 GHCF biogenic Cc1c(O)c(C=O)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587823850 WTHCBOSJWORCOL-VPTHRUTESA-N 394.240 3.744 10 1 GHCF CO[C@@H]1c2c(O)c(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@H]1OC3=O 257470462 LBJNLIBZUVWVTE-WKRCXCSHSA-N 376.449 3.617 10 1 GHCF endogenous,in-man CC(=O)c1cc(O)c(O)cc1C[C@H](C)[C@H](C)Cc1cc(O)c(O)cc1C(C)=O 13474191 KMYXXSBBABLDMV-TXEJJXNPSA-N 386.444 3.972 10 1 GHCF O=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(COc2ccccc2)cc1 13002343 ZYSHYUDNGIPRBJ-UHFFFAOYSA-N 378.384 3.809 10 3 GHCF Oc1ccc2ccccc2c1[C@@H](c1ccc2c(c1)OCO2)N1CCC(O)CC1 72178642 OTBUSLVAMDYVGD-HSZRJFAPSA-N 377.440 3.820 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)ccc2O)N1 587822166 LPCQFGYTXXMFKC-NIVTXAMTSA-N 394.240 3.790 10 1 GHCF CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@]1(OC)OC3=O 100774228 MCHRWEBHSKWYBW-GPHNJDIKSA-N 390.476 3.886 10 1 GHCF endogenous,in-man CCOC(=O)c1sc(N2N=C(C)[C@@H](/N=N/c3cccc(C)c3)C2=O)nc1C 101568173 VWWACEFJSDMIAT-YYZBOFOMSA-N 385.449 3.812 10 1 GHCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@@]1(OC)OC3=O 257480631 MCHRWEBHSKWYBW-UBBRYJJRSA-N 390.476 3.886 10 1 GHCF endogenous,in-man C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2O)N1 587739397 AZXZSFROUMJYKM-XTZNXHDOSA-N 379.273 3.983 10 1 GHCF Cc1ccccc1NC(=O)c1c2c(n3ccccc13)C(=O)c1cccnc1C2=O 1857768296 QRLGVNJFMUHYGF-UHFFFAOYSA-N 381.391 3.670 10 1 GHCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc4c(c3C)OCCO4)C2)cc1 1772623238 CEVUKOPBJOVABQ-OXJNMPFZSA-N 396.487 3.621 10 1 GHCF Cc1c(O)c(C=O)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587823848 WTHCBOSJWORCOL-BCTVWOGZSA-N 394.240 3.744 10 1 GHCF COC(=O)c1ccc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807747 MZACXTIJYAJWSU-HUTHGQBESA-N 394.240 3.704 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc3c2OCO3)N1 587833627 GYCVDRPECYFKIY-PWJLMRLQSA-N 380.213 3.646 10 1 GHCF Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2cnccn2)c2ccccc21 40556696 AZJMXZMDEZTFEM-UYRXBGFRSA-N 379.423 3.803 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)c3ccccc3C2=O)N1 587818703 FHNBMJCBSLAFBZ-APBUJDDRSA-N 388.236 3.787 10 1 GHCF Cc1cc2c(o1)-c1nc(OCCCCN(C)C)c3ccccc3c1C(=O)C2=O 1772580385 DBHJNKCOKUDNDY-UHFFFAOYSA-N 378.428 3.903 10 1 GHCF CCCn1c2ccc(N)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 36338926 LHRVQMLHEAXHIL-UHFFFAOYSA-N 385.471 3.529 10 1 GHCF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586961587 KFKDVZXZZSBRHB-SNVBAGLBSA-N 394.460 3.869 10 1 GHCF COCCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 1772628858 DHCIYZWQHRNYFU-SBUREZEXSA-N 398.503 3.567 10 1 GHCF COc1ccc(N2CCN(Cc3ccc4oc(=O)cc(Cl)c4c3)CC2)cc1 45495262 UKHDQXIXZSBNDY-UHFFFAOYSA-N 384.863 3.777 10 1 GHCF COC(=O)c1ccccc1Cc1ccc2c(c1O)C(=O)c1sccc1C2=O 299834614 RMWUJQRGEYNUSP-UHFFFAOYSA-N 378.405 3.607 10 1 GHCF COc1cc(C(=O)Nc2cc(-c3ccccc3)ccc2[N+](=O)[O-])cc(O)c1O 73197768 LXIMWDRHAILOHM-UHFFFAOYSA-N 380.356 3.934 10 1 GHCF COc1ccc(/N=N/c2nccn2CC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 1772582227 WUQSOLMFFZNRPW-QURGRASLSA-N 386.412 3.664 10 1 GHCF COc1cc(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)cc(O)c1O 587784571 APUMCQJFNARTJT-NSCUHMNNSA-N 396.628 3.964 10 1 GHCF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264872 UVZHRRFHIRACGG-CSMYWGQOSA-N 394.431 3.598 10 1 GHCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc(Cl)c(F)cc2O)N1 962980620 VBZQDGOGZQFAFK-IAQYHMDHSA-N 392.160 3.805 10 1 GHCF CCC(=O)N[C@H](c1ccco1)c1cc(Br)c2cccnc2c1O 38142065 FSKZSCFSPFWKPI-HNNXBMFYSA-N 375.222 3.912 10 3 GHCF CCOc1ccc(N2CCN(C(=O)c3cc4cc(C(C)=O)ccc4[nH]3)CC2)cc1 142070041 QCBHXRQPTVTAQI-UHFFFAOYSA-N 391.471 3.732 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c21 586903846 QLKZYZWSDZFXDO-PKOBYXMFSA-N 380.403 3.907 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2O)OCO3)N1 587832703 CAXBIPUCRUJICG-RBHXEPJQSA-N 380.213 3.646 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)O)ccc2O)N1 587821277 GZQSADBSXWJFSP-PWJLMRLQSA-N 380.213 3.616 10 1 GHCF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(O)c(O)c1O)O2 587404553 ROAHNLHAMOLFEF-QFIPXVFZSA-N 377.396 3.603 10 1 GHCF COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C[C@@](C)(CO)O4)CC2)cc1 114334064 USMYLEIMHJBZIK-DEOSSOPVSA-N 396.531 3.633 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)c([N+](=O)[O-])c2)N1 587748063 UFDAQZQQRVTSPR-MLXNANBUSA-N 397.200 3.531 10 1 GHCF C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(cc3c(c1O)CNC3=O)O2 6488403 TYBIMLPPWZKUEC-WFBUDIMJSA-N 385.504 3.543 10 1 GHCF biogenic Cn1c2c(c3ccccc31)CCn1c(-c3ccc(F)cc3)c(CO)c(CO)c1-2 1772579533 ZKLVXXYYYBADCG-UHFFFAOYSA-N 376.431 3.994 10 1 GHCF Cc1ccc2[nH]c(O)c(/N=N\C(=O)[C@H](C)n3cnc4ccccc4c3=O)c2c1 13125307 IGHATCZBUMGPDE-CFWHJENQSA-N 375.388 3.763 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C(=O)c3ccccc32)N1 587824578 XNPQKHFFIOUELA-OVWNDWIMSA-N 388.236 3.522 10 1 GHCF CS(=O)(=O)Nc1ccc(Nc2c3ccc(N)cc3nc3ccc(N)cc23)cc1 26937553 JGTIDLUABTVGCX-UHFFFAOYSA-N 393.472 3.668 10 1 GHCF COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(N3CCOCC3)cc2)cc1 169723242 BHMNBLSEDACXKO-XTQSDGFTSA-N 379.420 3.631 10 1 GHCF CCc1ccc(/C=C2\SC(N[C@H](CC(=O)O)c3ccc(F)cc3)=NC2=O)o1 28816674 YZUPLCSLRIDFNO-AVIKPIRVSA-N 388.420 3.757 10 1 GHCF Cc1ccc2[nH]c(O)c(/N=N/C(=O)[C@H](C)n3cnc4ccccc4c3=O)c2c1 101486202 IGHATCZBUMGPDE-YRMYODQKSA-N 375.388 3.763 10 1 GHCF O=[N+]([O-])C(/N=N/c1cccc(F)c1F)=C1\NCCN1Cc1ccc(Cl)nc1 103203759 SOXWNISGCOXLOB-ALFBEORRSA-N 394.769 3.606 10 1 GHCF O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)c(Cc3ccccc3O)c(O)c21 238767788 ATUPNEOKMQLOLF-IBGZPJMESA-N 394.379 3.512 10 1 GHCF [N-]=[N+]=NCCC[C@@H]1CC[C@]2(CC1=O)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962731765 UIHQOSBHJZKLJH-HNJNHCNJSA-N 394.397 3.987 10 1 GHCF C/N=N/Cc1c(N)ncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1 169721188 WZQZAQVZAVJRLT-WNAAXNPUSA-N 390.426 3.922 10 1 GHCF O=C(c1cc(Br)ccc1O)c1cc(O)c(O)cc1Br 53296421 GKGFCIICHDPASP-UHFFFAOYSA-N 388.011 3.559 10 1 GHCF CS(=O)(=O)Nc1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 586950336 FQMUTJGCLAZRAD-UHFFFAOYSA-N 394.456 3.976 10 1 GHCF O=C(O)CNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 4719711 LOWRMFOZCMJCQZ-MNVSYLFESA-N 382.847 3.981 10 1 GHCF O=S(=O)(c1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(O)cc1 45369665 OCMIHTWLNUIYFA-HXUWFJFHSA-N 394.452 3.638 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=N)N)cc3[nH]1)[C@H]1CC=C[C@H]21 587275249 ANFDKCMTTWHHTE-NJSLBKSFSA-N 388.431 3.890 10 1 GHCF C[C@H](NC(=O)C1CC1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149952654 LCKVUQNGZXUFCL-HNNXBMFYSA-N 378.472 3.649 10 1 GHCF Cc1ccc2[nH]c(O)c(/N=N\C(=O)[C@@H](C)n3cnc4ccccc4c3=O)c2c1 13125308 IGHATCZBUMGPDE-HRXNWPLBSA-N 375.388 3.763 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)CCO)cc2)N1 587740267 JBOSMKJXHUWPIQ-BUXKBTBVSA-N 393.300 3.640 10 1 GHCF Cc1csc(NC(=O)c2ccc(COc3ccc(N4CCOCC4)cc3)o2)n1 95755601 NKFIGRNWKDOKLZ-UHFFFAOYSA-N 399.472 3.712 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(O)c(O)cc32)N1 587830156 BNNUMFXWAMCGAR-LZVRBXCZSA-N 378.241 3.723 10 1 GHCF Cc1cc(N)c(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587750400 UDNSJORUWMCISS-XTZNXHDOSA-N 379.273 3.982 10 1 GHCF COc1cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)cc4)C[C@H]3O2)cc(O)c1O 2356373197 UGUFBLZTUREIGQ-OCSHYGNBSA-N 386.444 3.587 10 1 GHCF Cc1c(O)c(C=O)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587821015 GISNXJAUPQKIDK-VPTHRUTESA-N 394.240 3.744 10 1 GHCF CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)Nc1cccc(O)c1 8299898 LGIFMZIWXOSJIE-IRXDYDNUSA-N 398.503 3.983 10 1 GHCF biogenic COc1ccc2c(c1OC)C(=O)O[C@@H]2n1c(O)c(/N=N/C(C)=O)c2ccccc21 101686169 IKZQLYKHRRNJHJ-XJUMHSELSA-N 395.371 3.712 10 1 GHCF Cc1cccc2c3c(ccc12)-c1occ(CN2CC[C@H](N(C)C)C2)c1C(=O)C3=O 1772601191 LSSNBQGGXYGLJY-INIZCTEOSA-N 388.467 3.923 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)cc(C=O)c2O)N1 587823335 UDMWFTMVMQVUQC-XYZCENFISA-N 392.224 3.542 10 1 GHCF CO[C@@H]1CCCC[C@@H]1Nc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 1772576519 DHGLGPFQWGPHJR-GOEBONIOSA-N 393.468 3.836 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc([N+](=O)[O-])c2O)N1 587719146 KPKZWBXMACYYAZ-MLXNANBUSA-N 399.191 3.965 10 1 GHCF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587810420 XEMQVQPHOYIUAZ-FVMDXXJSSA-N 396.256 3.935 10 1 GHCF Cc1nc2c(nc1C)-c1c(c3c(n1Cc1ccccc1)C(=O)CCC3)C(=O)C2=O 6520610 OTIVGUJQNBINMY-UHFFFAOYSA-N 385.423 3.508 10 1 GHCF CN(C)c1ccc(CN2CCc3nc(Nc4ccccc4F)ncc3C2)cc1 21639632 KOVGCHRBRNFLGW-UHFFFAOYSA-N 377.467 3.984 10 1 GHCF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587267987 VCNRKSDKGWZPKY-GFCCVEGCSA-N 378.392 3.960 10 1 GHCF COc1ccc(Nc2nn3c(O)cc(C)nc3c2C(=O)Nc2ccccc2)cc1 1772599714 BUBMEIRQNKNQRU-UHFFFAOYSA-N 389.415 3.748 10 1 GHCF O=Cc1cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c(O)c([N+](=O)[O-])c1 963002577 CEIIBYSRIBTEIN-IBGZPJMESA-N 395.440 3.717 10 1 GHCF Cc1cccc2c3c(ccc12)-c1occ(CN2CC[C@H](CO)C2)c1C(=O)C3=O 1772582485 PIAZJCLJEONQJA-AWEZNQCLSA-N 375.424 3.601 10 1 GHCF COc1cc(/C=C/c2nc3c(C)c(Br)cnc3[nH]2)cc(O)c1O 587785166 IJWRXXVRSOXQOC-ONEGZZNKSA-N 376.210 3.619 10 1 GHCF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(C(C)(C)C)s2)cc1 1857578203 PWYRUYMWUUZHHD-ROUUACIJSA-N 385.577 3.731 10 1 GHCF CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)Nc1nccs1 2356870563 XSTRUUDBKGTGCT-CABCVRRESA-N 389.521 3.734 10 1 GHCF CCCC(=O)Oc1cccc2c1C(=O)c1cccc(OC(=O)CCC)c1C2=O 13558877 FZQSLWJPOIBNIR-UHFFFAOYSA-N 380.396 3.873 10 1 GHCF CC=C(C)C(=O)O[C@@H]1C[C@@H](C(C)(C)OC)O[C@]1(C)c1ccc(C)c(O)c1O 2356530724 QMSZDYMSZDFCPW-GCKMJXCFSA-N 378.465 3.713 10 1 GHCF O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2c(o1)C(=O)c1ccccc1C2=O 1857616912 KKBMLHFQUDIVKC-UHFFFAOYSA-N 375.424 3.754 10 1 GHCF C[C@H]1CCCCN1Cc1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 72142523 RXMXCZDBFKUQIM-ZDUSSCGKSA-N 381.428 3.951 10 1 GHCF CC(C)Cn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H](C)[C@H](C)O)CN(C)[C@@H]1C2 169692491 NRMCOBVLHDZQFD-NIEGYXNLSA-N 398.547 3.570 10 1 GHCF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\N1CCN(c2ccccc2)CC1 43013958 YJMPOATVTSDWLY-HKWRFOASSA-N 380.879 3.769 10 1 GHCF CCOC(=O)[C@H]1Cc2cc(Cc3ccc(O)c(CN)c3)c(Cl)c(Cl)c2O1 27654336 UNXBEIVBVOXHPY-OAHLLOKOSA-N 396.270 3.615 10 1 GHCF O=C(Cn1ccnc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc(Cl)ccc1O 299866446 PAKHKDZZECJLGS-GOSISDBHSA-N 398.825 3.759 10 1 GHCF COc1cccc2c(NCCCN(C)C)c3c([N+](=O)[O-])ccc(OC)c3nc12 5845156 NYFZMZPEGBUXSL-UHFFFAOYSA-N 384.436 3.677 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(SCCN3CCCC3)[nH]c21 103264515 JYDWQWBELYHBCF-UHFFFAOYSA-N 377.469 3.526 10 1 GHCF Cc1cccc2c(N=NC(=O)[C@H](C)n3cnc4ccccc4c3=O)c(O)[nH]c12 254045029 CDLCTDYZIBTGGI-LBPRGKRZSA-N 375.388 3.763 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc([N+](=O)[O-])c2O)N1 587719153 KPKZWBXMACYYAZ-ZIDLFYJRSA-N 399.191 3.965 10 1 GHCF O=c1oc2cc(O)c(O)cc2c2oc3cc(O)c(O)c(CN4CCCCC4)c3c12 1857566218 POTCFTWADMLJDT-UHFFFAOYSA-N 397.383 3.501 10 1 GHCF CCCOc1ccc(N2CCN(c3noc(CC)n3)[C@H](C(F)(F)F)C2)c(C)c1 103252663 VNXCJVIMGDXNFY-INIZCTEOSA-N 398.429 3.987 10 1 GHCF CN(C)Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587574878 ZJAWLMIFWSPXMQ-OFNKIYASSA-N 391.423 3.862 10 1 GHCF COc1cc(/C=C/c2cc(O)cc(O)c2Cc2ccc(O)c(O)c2)ccc1O 15262414 DHOWKHPVWVNKPP-GORDUTHDSA-N 380.396 3.984 10 1 GHCF biogenic,in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)O)ccc2O)N1 587821276 GZQSADBSXWJFSP-BCTVWOGZSA-N 380.213 3.616 10 1 GHCF CCn1cc(C(=O)NCc2ccc(N)cc2)c(=O)c2cc(C(F)(F)F)ccc21 43070566 MUXKPUPPRLULDH-UHFFFAOYSA-N 389.377 3.552 10 1 GHCF O=c1nc(CSC(=S)NCc2ccc(F)cc2F)[nH]c2ccccc12 209479826 DLZNEWGKWZKFQQ-UHFFFAOYSA-N 377.441 3.509 10 1 GHCF COc1ccc(C2=NN(Cc3ccccc3O)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26504820 FUIUVFLWJWRMIR-QZTJIDSGSA-N 394.471 3.962 10 1 GHCF CCCCc1c(-c2ccc(O)c(O)c2)oc2cc(OC)c(OC)c(=O)c-2c1O 169712543 KQSUOMSMKOWPCV-UHFFFAOYSA-N 386.400 3.888 10 1 GHCF COc1ccc(N2CCN(CC[C@H](OC(N)=O)c3ccc(C)cc3C)CC2)cc1 95574415 VBVITXWQWSIKDR-QFIPXVFZSA-N 397.519 3.661 10 1 GHCF COc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587806164 IJZNYOVJPUEGFG-DYBLOJMWSA-N 396.256 3.935 10 1 GHCF Oc1ccc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1O 962948438 AFJRQNYMVVGCKC-GOSISDBHSA-N 379.378 3.857 10 1 GHCF Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCc1ccccc1)C2 29131843 ZTMLOOYBOCIEND-UHFFFAOYSA-N 383.300 3.837 10 1 GHCF COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@H]1CCC[C@](C)(O3)O1 100823827 UOWSTUZKQCORDT-DMZKTXOQSA-N 396.395 3.535 10 1 GHCF endogenous,in-man COc1ccc(/N=N/c2c(-c3cc(OC)c(OC)c(OC)c3)[nH][nH]c2=O)cc1 169723222 GWZNBRKYMGDYKF-LSDHQDQOSA-N 384.392 3.820 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2O)N1 587748187 SNKKNSCVQFZXLO-PWJLMRLQSA-N 381.201 3.826 10 1 GHCF O=c1c2cn[nH]c2c2ccc(-c3cccnc3N3CCC3)cc2n1CC(F)(F)F 205529467 SWEFIISHSBBBSS-UHFFFAOYSA-N 399.376 3.712 10 1 GHCF COc1ccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1OC 587926239 LKAVEALAQAMELB-UHFFFAOYSA-N 398.418 3.946 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)cc(C=O)c2O)N1 587819858 BVIPYECGSVSJSD-XYZCENFISA-N 392.224 3.542 10 1 GHCF Cc1c(O)cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587823250 SXFYBXQQWJUQRV-HYORBCNSSA-N 382.229 3.637 10 1 GHCF Cc1c(C=O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1 96928415 RYWAXLZIHSGNRM-UHFFFAOYSA-N 375.396 3.947 10 1 GHCF CCn1c(O)c(/N=N/C(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 101545511 YJBJSDQZROZADX-GYFZBECWSA-N 376.416 3.507 10 1 GHCF CC1=C(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](c2ccccc2O)NC(=O)N1 103294997 YUSBEJKHPKZOJC-INIZCTEOSA-N 392.242 3.966 10 1 GHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC4CC4)cc3C)C2)nc1 1772621708 OOHKWDGVQKUQSB-KKSFZXQISA-N 395.503 3.786 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])ccc2O)N1 587744362 DKDUWTUMKZTPDX-VVVCHXIZSA-N 395.228 4.000 10 1 GHCF O=C(O)Cc1ccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587962016 PNLFXTZCPKFQAZ-UHFFFAOYSA-N 396.402 3.556 10 1 GHCF O=Cc1cc(Cl)cc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1O 962719262 XQHBVIPTLMKDBU-HUUCEWRRSA-N 383.753 3.593 10 1 GHCF CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCc1ccncc1 100163331 YKZPYFZGOYGKLG-XMHGGMMESA-N 379.420 3.556 10 3 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(O)c2O)N1 587821651 JENNTSDRYREAMC-WNWIJWBNSA-N 382.229 3.503 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2O)OCO3)N1 587834330 KZGGXEHXIHLGQF-DYBLOJMWSA-N 394.240 3.820 10 1 GHCF COC(=O)[C@@H]1C(=O)c2c3c(n(Cc4ccccc4)c2C[C@@H]1C)-c1ccccc1C3=O 6495302 QZGUNYABOLLCIK-LIRRHRJNSA-N 399.446 3.912 10 1 GHCF COc1ccc2ncc(C=C[C@]34NC(=O)CN3c3ccccc3C4(C)C)cc2c1 2356741893 AAHHTLIZFZOYIZ-DEOSSOPVSA-N 385.467 3.881 10 1 GHCF Cc1nc2c(C(=O)N[C@@H]3CCCC[C@H]3C)cnn2c(O)c1Cc1ccccc1F 9597702 BPEDCAGKUQSBOP-BFUOFWGJSA-N 396.466 3.782 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2O)N1 587748106 SKPNUNWHSALKNN-BCTVWOGZSA-N 381.201 3.826 10 1 GHCF O=S(=O)(c1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1O 45370568 RUKFYWVMNDCGBQ-IBGZPJMESA-N 394.452 3.638 10 1 GHCF Cc1c(O)cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587821120 GVRAIGBMZLFVNI-GYKQLYQFSA-N 382.229 3.637 10 1 GHCF COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC(C)C)ncnc21 82177905 LLYWGWLWXMERRI-UHFFFAOYSA-N 394.523 3.808 10 1 GHCF CC(=CCc1cc(C(=O)O)cc(O)c1O)CCC=C(C)CC[C@H](O)C(C)(C)O 2356619466 HEKKNGJOTDHUHQ-IBGZPJMESA-N 392.492 3.923 10 1 GHCF C[C@@H]1CCCCN1Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12 72125049 PVVBIHNULAVJNX-GFCCVEGCSA-N 397.427 3.657 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3COc4ccccc4O3)[nH]c21 586918908 UGTDEFOHOPWKSO-SFHVURJKSA-N 382.375 3.851 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2O)N1 587743891 BYOSUZFPZSEZFL-PWJLMRLQSA-N 381.201 3.826 10 1 GHCF COc1ccc(N2CCN(CCCSc3nc4ccccc4[nH]3)CC2)cc1 1911574189 YHJNDGDDXUBGQS-UHFFFAOYSA-N 382.533 3.876 10 1 GHCF Cc1cccc2c3c(ccc12)-c1occ(CN2CC[C@@H](CO)C2)c1C(=O)C3=O 1772582486 PIAZJCLJEONQJA-CQSZACIVSA-N 375.424 3.601 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2O)OCO3)N1 587834331 KZGGXEHXIHLGQF-LZVRBXCZSA-N 394.240 3.820 10 1 GHCF CC=C1CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@@]2(C)C[C@]1(C)C(=CO)C(=O)OC 2356646473 DIWCLEKUQXTXKA-XEDHWARRSA-N 382.504 4.000 10 1 GHCF CCOC(=O)c1sc(N2N=C(C)[C@@H](N=Nc3cccc(C)c3)C2=O)nc1C 253921224 VWWACEFJSDMIAT-CQSZACIVSA-N 385.449 3.812 10 3 GHCF CC=C(C)C(=O)O[C@@H]1C[C@H](C(C)(C)OC)O[C@]1(C)c1ccc(C)c(O)c1O 2356530727 QMSZDYMSZDFCPW-WHSLLNHNSA-N 378.465 3.713 10 1 GHCF CC1=NN(c2ccccc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N1CCN(C)CC1 101816431 UKFSLJGNYHYSDG-MRCUWXFGSA-N 394.906 3.721 10 1 GHCF CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1cn(C[C@@H]2CO2)c2ccccc12 653919295 UDOWPNONNWHXNW-SVYXSEEQSA-N 375.403 3.985 10 1 GHCF O=C1c2c(O)ccc(NCc3cc(O)ccc3O)c2CN1CCc1ccccc1 13491732 CSYTXLLWGMJDLX-UHFFFAOYSA-N 390.439 3.614 10 1 GHCF O=C(O)CNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 4719713 LOWRMFOZCMJCQZ-LRDNONRASA-N 382.847 3.981 10 1 GHCF COc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCCCC2)c1 40564093 BFCDZWHLJMOQFS-UHFFFAOYSA-N 392.459 3.582 10 1 GHCF COc1cc(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)cc(O)c1O 587784774 CZIATNIYFGRWTN-NSCUHMNNSA-N 396.628 3.964 10 1 GHCF O=C(/C=C/c1ccc(F)cn1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 58591172 AAANWSVXSPZEDA-ONEGZZNKSA-N 383.206 3.537 10 1 GHCF CC(C)CCC(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 64448898 FRIZMQICGPXSSF-UHFFFAOYSA-N 384.384 3.918 10 1 GHCF COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc(O)c1O 82155889 PIVJZCDNMOOBCC-UHFFFAOYSA-N 380.356 3.934 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(O)c(O)cc32)N1 587830158 BNNUMFXWAMCGAR-NIVTXAMTSA-N 378.241 3.723 10 1 GHCF COc1cc(CCNCc2cccc(OC)c2O)c(OC)cc1Br 473107398 ITHRILISLCBUSI-UHFFFAOYSA-N 396.281 3.513 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)cc2O)N1 587821307 HHFNPGPWWIJFPE-ZKANADHPSA-N 380.213 3.616 10 1 GHCF COC(=O)c1ccc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587807256 LSWWHPGRQIGUMN-VVVCHXIZSA-N 394.240 3.704 10 1 GHCF COC(=O)c1ccc(COc2ccc(C/N=N/c3nc(C)cc(=O)[nH]3)cc2)cc1 169689881 APTOXRHLDGJCAG-YYDJUVGSSA-N 392.415 3.728 10 1 GHCF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCNc1c2ccccc2nc2ccccc12 195326776 NMXILYPHEODMRP-LYDRAKHJSA-N 383.451 3.607 10 1 GHCF CN(C)c1ccc(/N=N\c2ccccc2C(=O)OCC(=O)N2CCCC2)cc1 13140466 NRTRCBSHYYCHQV-FCQUAONHSA-N 380.448 3.947 10 1 GHCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(N3CCOCC3)cc2O)N1 962953145 PYNREOPRGXZNLA-UPCLLVRISA-N 391.515 3.898 10 1 GHCF CC=C1CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@@]2(C)C[C@@]1(C)C(=CO)C(=O)OC 2356646471 DIWCLEKUQXTXKA-OMZJQYJESA-N 382.504 4.000 10 1 GHCF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O 587804503 BNJIJXQPQSGXJP-QPFGOUBPSA-N 382.229 3.632 10 1 GHCF Nc1ccc(CN2C(=O)c3cccc4cc(Br)cc(c34)C2=O)cc1 103254228 WKMZXCCVBJZMCL-UHFFFAOYSA-N 381.229 3.981 10 1 GHCF O=C1CC=Cc2cc(O)c(O)c(O)c2[C@]12NCCc1cc(-c3ccccc3)ccc12 962672123 VWOGONUZYUEMPC-RUZDIDTESA-N 399.446 3.846 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2O)N1 587756185 QHMFBNHOPHQECJ-XTZNXHDOSA-N 379.273 3.983 10 1 GHCF CC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1C(=O)C(=O)[C@H]1NCCC(C)(C)C 40747343 FZQOPLSSCRAOQW-OAGGEKHMSA-N 383.410 3.540 10 1 GHCF CCN1[C@H](c2ccc(Cl)cc2)[C@H](CNCc2ccccc2O)C[C@@]1(C)CO 45194665 JPXJCCBSAFYQMW-BWAGFHJFSA-N 388.939 3.969 10 1 GHCF CN(C)c1ccc(/C=C2\CC[C@@H]3[C@H]4CCCN5CCC[C@H](CN3C2=O)[C@@H]45)cc1 653808778 YHYBUXULSFKHMP-CFPRXOTNSA-N 379.548 3.631 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(CN(C)C)c2)N1 587742426 RIQMGLDNLFTUDR-JEOXALJRSA-N 393.300 3.979 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc([N+](=O)[O-])c2O)N1 587715285 BVCWNZGDONLLNP-NZFNHWASSA-N 399.191 3.965 10 1 GHCF Oc1ccc(-n2c(Cc3nnn[nH]3)ccc2-c2ccc(Br)cc2)cc1 73293318 ACUZZBGBPJLPLI-UHFFFAOYSA-N 396.248 3.716 10 1 GHCF COC1=C(c2ccc(F)cc2)C(=O)O/C1=C\c1ccc(N2CCOCC2)c(F)c1 95594446 XPYGCBAGVOAXNC-UYRXBGFRSA-N 399.393 3.757 10 1 GHCF COc1ccc2c(c1)C=C1C(=O)N(c3ccc(Br)cc3)N=C1CO2 103256995 AHLMUDIRSRKESY-UHFFFAOYSA-N 385.217 3.636 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)c([N+](=O)[O-])c2)N1 587748065 UFDAQZQQRVTSPR-NZFNHWASSA-N 397.200 3.531 10 1 GHCF Nc1ccc(NC(=O)/C=C2\C[C@@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 40488887 HHIBQUYGKUKOLR-PPYMECGQSA-N 392.242 3.867 10 1 GHCF O=C(C[C@@H]1SC(N=Nc2c(O)[nH]c3ccccc23)=NC1=O)Nc1ccccc1 617989198 LKJSSEINCOQELN-AWEZNQCLSA-N 393.428 3.984 10 1 GHCF O=C1COC(c2ccc(C(F)(F)F)cc2)=NN1Cc1cc(Cl)ccc1O 35242401 RGYFXMWETBHEPA-UHFFFAOYSA-N 384.741 3.785 10 1 GHCF Cc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)n1-c1ccccc1 7166473 OBVYUGFORJGZGU-WJDWOHSUSA-N 386.498 3.770 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2O)N1 587748189 SNKKNSCVQFZXLO-ZKANADHPSA-N 381.201 3.826 10 1 GHCF Cc1cc(N)c(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587750391 UDNSJORUWMCISS-MGNBDDOMSA-N 379.273 3.982 10 1 GHCF CC(=O)C[C@@H]1CCCC(=O)[C@@]1(CCCN=[N+]=[N-])S(=O)(=O)c1ccccc1 36387411 HUKBQSYGTBIJCS-YJBOKZPZSA-N 377.466 3.638 10 3 GHCF C[C@@H](Sc1ncccn1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586964011 VJDPLOVAIDEBGK-LLVKDONJSA-N 386.436 3.982 10 1 GHCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc(Cl)c(F)cc2O)N1 962980610 VBZQDGOGZQFAFK-ABAIWWIYSA-N 392.160 3.805 10 1 GHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)N(C)C)cc3)C2)cc1 96173023 SZYFAIQFAZRYGN-QGZVFWFLSA-N 382.504 3.935 10 1 GHCF O=C(CN1CCC(Cc2ccc(F)cc2)CC1)c1c[nH]c2cc(O)c(O)cc12 103227674 LQKMMHFPUJBOLC-UHFFFAOYSA-N 382.435 3.856 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C[C@H]3CCc4occc4C3=O)[nH]c21 586907968 PHNYCKNWVCHSFA-GFCCVEGCSA-N 396.402 3.919 10 1 GHCF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2ccccc2)(c2cc(F)ccc2O)N1 962909357 LUZNAXSPABEKII-SIKLNZKXSA-N 381.378 3.561 10 1 GHCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 1772651245 VOYKEBRUUKWFIK-HXUWFJFHSA-N 388.383 3.687 10 1 GHCF O=C(OCCc1ccccc1)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O 299831688 DQHKLOGHWZXHPW-UHFFFAOYSA-N 378.405 3.629 10 1 GHCF O=C1c2c(O)cccc2C(CCc2cc(O)c(O)c(O)c2)c2cccc(O)c21 26955270 JDNZMKAKACWVAU-UHFFFAOYSA-N 378.380 3.524 10 1 GHCF CCCCn1c2ccc(N)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 36338914 AVNRZNGWBOZNHC-UHFFFAOYSA-N 399.498 3.919 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(N)c(N)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587276033 IBOVAQAMZSEVAD-CLUVUEOHSA-N 376.420 3.770 10 1 GHCF COc1ccc2nc3cc(Cl)ccc3c(NCCCN3CCNCC3)c2c1 45167556 DNUGRAQMIOBCCU-UHFFFAOYSA-N 384.911 3.757 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)cc2[N+](=O)[O-])N1 587748081 SFYMDRQMFGFECM-HYORBCNSSA-N 397.200 3.531 10 1 GHCF COc1ccc(COC(=O)c2cc3c(s2)C(=O)c2c(O)cccc2C3=O)cc1 299833249 NUZNYFMWTRJEMH-UHFFFAOYSA-N 394.404 3.595 10 1 GHCF O=Cc1cccc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1O 962948572 BYDAXSCCJPZJOB-SFHVURJKSA-N 391.389 3.964 10 1 GHCF COCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 1772628857 DHCIYZWQHRNYFU-GAJHUEQPSA-N 398.503 3.567 10 1 GHCF COc1cc(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)cc(O)c1O 587784570 APUMCQJFNARTJT-IHWYPQMZSA-N 396.628 3.964 10 1 GHCF CC[C@]1(c2ccc(Cl)c(Cl)c2O)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963548583 HDBBIJLXHABLET-ORAYPTAESA-N 396.270 3.966 10 1 GHCF Cc1cc(=O)oc2c(CN3CCN(C/C=C/c4ccccc4)CC3)c(O)ccc12 29061843 QRISUDFIMRUHAQ-VMPITWQZSA-N 390.483 3.638 10 1 GHCF O=C([C@H]1Cc2ccccc2[C@H](c2c(O)ccc3ccc(O)cc23)N1)C(F)(F)F 962764251 KYFDJSPAFUMNDK-VQIMIIECSA-N 387.357 3.986 10 1 GHCF O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1ccc(N3CCNCC3)cc12 61924101 UEHKIYSUCIQWLM-PGRDOPGGSA-N 377.488 3.667 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)cc2O)N1 587821306 HHFNPGPWWIJFPE-VPTHRUTESA-N 380.213 3.616 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2O)N1 587756179 QHMFBNHOPHQECJ-MGNBDDOMSA-N 379.273 3.983 10 1 GHCF Cc1c(O)c(C=O)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587821017 GISNXJAUPQKIDK-ZKANADHPSA-N 394.240 3.744 10 1 GHCF COc1ccc2c(c1OC)C(=O)O[C@@H]2n1c(O)c(N=NC(C)=O)c2ccccc21 253677409 IKZQLYKHRRNJHJ-IBGZPJMESA-N 395.371 3.712 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)cc2O)N1 587821664 JJSPURTXYVYNPF-VPTHRUTESA-N 380.213 3.616 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2O)N1 587747952 RATRJPCKVJAKSG-ZKANADHPSA-N 381.201 3.826 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(CN(C)C)c2)N1 587742429 RIQMGLDNLFTUDR-WYRIXSBYSA-N 393.300 3.979 10 1 GHCF CO[C@@H]1c2c(O)c(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@H]1OC3=O 100775675 LBJNLIBZUVWVTE-IIMDRIAPSA-N 376.449 3.617 10 1 GHCF endogenous,in-man O=C1c2ccccc2C(=O)c2c(O)cc(OCCCNC3CCCCC3)cc21 72180021 ZQWQEPFHHTWCPT-UHFFFAOYSA-N 379.456 3.859 10 1 GHCF COC1=C(c2ccccc2)C(=O)O/C1=C\c1ccc(N2CCOCC2)c(F)c1 95593356 TWGMVWDVIXEDMI-RGEXLXHISA-N 381.403 3.618 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc3c2OCO3)N1 587833935 JALKAENNKKYBFF-BCTVWOGZSA-N 380.213 3.646 10 1 GHCF O=C(CCSC(=S)NCc1cccnc1)c1c[nH]c2nccc(Cl)c12 1857584632 FMSOSPDLDMRFSY-UHFFFAOYSA-N 390.921 3.992 10 1 GHCF CCCOc1ccc(N2CCN(c3noc(CC)n3)[C@@H](C(F)(F)F)C2)c(C)c1 169312360 VNXCJVIMGDXNFY-MRXNPFEDSA-N 398.429 3.987 10 1 GHCF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(O)c1O 587596089 UNBBGGICLIMUGZ-DYESRHJHSA-N 380.352 3.515 10 1 GHCF CC1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2cc(Br)ccc2O)C1 653733657 AEQBIIOFENRPCY-OAHLLOKOSA-N 395.278 3.666 10 1 GHCF C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2ccccc21 5138857 BLVAYZBIMMYHDJ-UHFFFAOYSA-O 378.477 3.933 10 1 GHCF O=C(NCc1ccccc1)c1c[nH]c(=NCc2ccccc2O)c2ccccc12 621430363 QYWMGVBWRZUJRE-UHFFFAOYSA-N 383.451 3.904 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])ccc2O)N1 587744364 DKDUWTUMKZTPDX-XYZCENFISA-N 395.228 4.000 10 1 GHCF CCCN1[C@H](C)Cc2ccccc2[C@]12CC=Cc1cc(O)c(O)c(O)c1C2=O 963233433 UGHONYJKARKRSG-FATZIPQQSA-N 379.456 3.955 10 1 GHCF CSc1ccc([C@@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 1857617160 MTRAKVLZHXDCLK-LJQANCHMSA-N 392.432 3.677 10 1 GHCF CC(=O)N[C@H](c1cccs1)c1cc(Br)c2cccnc2c1O 36380872 FREDZQWTOHKXRX-AWEZNQCLSA-N 377.263 3.990 10 3 GHCF CC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1C(=O)C(=O)[C@@H]1NCCC(C)(C)C 28474419 FZQOPLSSCRAOQW-ARFHVFGLSA-N 383.410 3.540 10 1 GHCF CCOC(=O)Cc1oc2c(c1-c1ccc(OC)cc1)C(=O)c1ccccc1C2=O 1857633748 PYNGAFQPXAPWGX-UHFFFAOYSA-N 390.391 3.836 10 1 GHCF COc1ccc(/C=C2\SC(=S)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 103190943 ZRXNRXJUXILQQX-YBEGLDIGSA-N 381.482 3.973 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)ccc2O)N1 587822033 LCPYJLHJEVQOAS-YYSFKGJASA-N 394.240 3.790 10 1 GHCF C[C@]1(c2ccc(N3CCOCC3)c(N)c2)c2ccc(F)cc2C[C@H]2CCCN21 963109141 UMIGNLGTSXKUOE-XXBNENTESA-N 381.495 3.529 10 1 GHCF CN(C)[C@@H]1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)C1 36380690 XIHNPVJFZXLPOA-OAQYLSRUSA-N 391.515 3.793 10 3 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=N)N)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587275248 ANFDKCMTTWHHTE-LPMFXHHGSA-N 388.431 3.890 10 1 GHCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(O)c(O)cc12 587607963 JLPDLFXTQVIEDI-DENIHFKCSA-N 376.364 3.607 10 1 GHCF CCn1c(O)c(N=NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c2ccccc21 253916648 YJBJSDQZROZADX-RDJZCZTQSA-N 376.416 3.507 10 1 GHCF CCn1c(O)c(N=NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 253916646 YJBJSDQZROZADX-NVXWUHKLSA-N 376.416 3.507 10 1 GHCF CCn1c(O)c(N=NC(=O)Cc2csc(N3CCOCC3)n2)c2ccccc21 253915661 IBRQLKVVCTVDTB-UHFFFAOYSA-N 399.476 3.513 10 1 GHCF COc1ccccc1[C@H]1CC(c2ccc3ccccc3c2O)=NN1C(N)=S 1772620037 XUGXEBBKAUMQJI-GOSISDBHSA-N 377.469 3.949 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc([N+](=O)[O-])c2O)N1 587719142 KPKZWBXMACYYAZ-KWKYVRJSSA-N 399.191 3.965 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)cc(C=O)c2O)N1 587819854 BVIPYECGSVSJSD-HUTHGQBESA-N 392.224 3.542 10 1 GHCF O=C(c1cccnc1)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O 653696821 DNWQWCAPUKMRGU-UHFFFAOYSA-N 398.237 3.912 10 1 GHCF CSc1ccc([C@H](O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 1857617159 MTRAKVLZHXDCLK-IBGZPJMESA-N 392.432 3.677 10 1 GHCF NC(=S)N=Nc1c(O)[nH]c2c(Br)cc(Br)cc12 299813199 FWZLGEMXULQBBJ-UHFFFAOYSA-N 378.049 3.726 10 1 GHCF NCCCCN(CCCN)CCCCNc1c2ccccc2nc2ccccc12 27197748 UJNVJERDWSZSQW-UHFFFAOYSA-N 393.579 3.970 10 1 GHCF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OCC4CC4)cc3)C2)cc1 142178604 YCLCQGOATAFIRH-INIZCTEOSA-N 380.488 3.940 10 1 GHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(OC)c1 142319324 BTSLKPBDGARYKE-HNNXBMFYSA-N 384.476 3.559 10 1 GHCF C[C@@H]1CC[C@@H]2C(=O)O[C@@H](CN=[N+]=[N-])CN2[C@H]1c1ccc(Br)cc1 253915759 AREWGIRYUHHIQN-AQNFWKISSA-N 379.258 3.826 10 1 GHCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(N3CCCC3)cc2)N1 962970372 GQSWYHRXGBHFGZ-APWZRJJASA-N 392.833 3.907 10 1 GHCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(N3CCCC3)cc2)N1 962970375 GQSWYHRXGBHFGZ-VQIMIIECSA-N 392.833 3.907 10 1 GHCF Cc1c(O)ccc2c1[C@@H](c1cc(-c3ccc(F)cc3)ccc1O)N[C@H](C(=O)O)C2 963474978 YAJBTLCCOAPQPP-PGRDOPGGSA-N 393.414 3.901 10 1 GHCF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O 587804507 BNJIJXQPQSGXJP-WNWIJWBNSA-N 382.229 3.632 10 1 GHCF CC1CCN(c2nc3cc(O)c4c(c3s2)C(=O)c2cccc(O)c2C4=O)CC1 299823823 ATQRKYLKNAPDMC-UHFFFAOYSA-N 394.452 3.719 10 1 GHCF COc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3ccccc3O)C2)cc1 299869951 VRMYKABCYNPNTM-OAQYLSRUSA-N 393.487 3.564 10 1 GHCF COc1cc(OC)c(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587804934 DMFSUQWTEDNYQR-XLFHBGCDSA-N 396.256 3.935 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2O)OCO3)N1 587834333 KZGGXEHXIHLGQF-NIVTXAMTSA-N 394.240 3.820 10 1 GHCF O=C(Nc1ccnnc1)c1cc(N2CC(F)(F)C2)ccc1OCc1ccccc1 1857551268 WPTCQBXOXHZPDY-UHFFFAOYSA-N 396.397 3.763 10 1 GHCF O=S(=O)(c1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1 45369659 OCMIHTWLNUIYFA-FQEVSTJZSA-N 394.452 3.638 10 1 GHCF COc1ccc(SCc2nc3c(Cn4ccnc4)c(O)ccc3n2C)cc1 64573373 TXZAZHHWTVENFP-UHFFFAOYSA-N 380.473 3.825 10 1 GHCF CC(=O)Nc1ccc2c3c(n(CCCN=[N+]=[N-])c(=O)c2c1)-c1ccccc1C3=O 95555659 VQVWPZPBKLGGKL-UHFFFAOYSA-N 387.399 3.872 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)CCO)cc2)N1 587738647 BUJNSARFHYIHNC-BLVKFPJESA-N 393.300 3.640 10 1 GHCF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(O)c1O 587805783 HSFYJYVLTRLSOA-BCTVWOGZSA-N 382.229 3.632 10 1 GHCF COc1cc2c3c(c1)O[C@@](C(=O)C(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587444780 GVWHDRKSOIKRMZ-DFBJGRDBSA-N 398.414 3.790 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)O)cc2O)N1 587820288 CPSSFNRPNSOELO-LZVRBXCZSA-N 394.240 3.790 10 1 GHCF Cc1cccc(C)c1/N=N/C(=C1/NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-] 103206350 XZXVLYSWPYCEQJ-VGMYHVDBSA-N 386.843 3.944 10 1 GHCF Nc1ccc(Oc2ccc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c3c2)cc1 587128222 JGXHGEKCSCUALW-UHFFFAOYSA-N 393.357 3.980 10 1 GHCF O=C(NCc1ccccn1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169301864 RJXJNFLDPOFGSO-VKJFTORMSA-N 389.377 3.750 10 1 GHCF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(O)c1O 587596092 UNBBGGICLIMUGZ-UWJYYQICSA-N 380.352 3.515 10 1 GHCF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O 587807417 NIDHLYWZZXVSTC-QPFGOUBPSA-N 382.229 3.632 10 1 GHCF COc1c(O)c(CN2CCCCC2)c2oc(-c3ccccc3)cc(=O)c2c1O 29127546 WSAUAZGWQSJXLU-UHFFFAOYSA-N 381.428 3.866 10 1 GHCF Cc1ccc([N+](=O)[O-])cc1N[C@@H]1[C@H]2C(=O)C(=O)c3ccccc3[C@@H]2OC1(C)C 58608409 UIUSKAFVOLYMHU-FFZOFVMBSA-N 380.400 3.615 10 1 GHCF O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc(O)c(Cc3ccccc3O)c(O)c21 2356399602 ATUPNEOKMQLOLF-LJQANCHMSA-N 394.379 3.512 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2O)OCO3)N1 587832701 CAXBIPUCRUJICG-CQLKUDPESA-N 380.213 3.646 10 1 GHCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c2ccc(O)c1O 587609323 OFXDDUUXOXLESS-AVRDEDQJSA-N 376.364 3.607 10 1 GHCF OCc1ccc(O)c([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962645088 RZTKMUKKGJLZGK-PXDATVDWSA-N 386.495 3.721 10 1 GHCF COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc(N)cc2)N3C)cc1 101221883 WFLZSRUKISTWDZ-ADHNFCLRSA-N 394.515 3.630 10 1 GHCF CCc1ccc(/C=C2\SC(N[C@H](CC(=O)O)c3ccc(C)cc3)=NC2=O)o1 28816683 BPHSPRIFJVWESB-FNTDYBJHSA-N 384.457 3.926 10 1 GHCF O=C(CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccccc1 1857598722 UFXFPVDGPRIHPX-MHWRWJLKSA-N 384.438 3.679 10 1 GHCF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(O)c(O)c1O)[C@@H](C2)C3=O 587452357 SRYNSZPMSHWTAD-QMHKHESXSA-N 390.391 3.503 10 1 GHCF CC(C)Cn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 89455915 NRMCOBVLHDZQFD-XSRHDBCCSA-N 398.547 3.570 10 1 GHCF C/C=C1/CN2CC[C@@H]3c4ccccc4N[C@@H]3[C@]2(C)C[C@]1(C)/C(=C\O)C(=O)OC 238739563 DIWCLEKUQXTXKA-DVAXEFMMSA-N 382.504 4.000 10 1 GHCF CN(CCO)c1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587192832 FZWAUGIGHZVHAF-UHFFFAOYSA-N 386.324 3.708 10 1 GHCF COc1cc(OC)c2c(c1)C(=O)c1cc(O)c([C@H]3CCC[C@H](C)O3)c(O)c1C2=O 13374842 QUTAPJWSNWFOGY-ZUZCIYMTSA-N 398.411 3.521 10 1 GHCF biogenic C[C@]1(c2ccc(O)c(CN3CCOCC3)c2)c2ccc(F)cc2C[C@H]2CCCN21 963116372 WNYDJDYZJPARHJ-QPPBQGQZSA-N 396.506 3.648 10 1 GHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)CN(C)C)cc3)C2)cc1 96172994 JRCMCWMFKHKGKP-GOSISDBHSA-N 396.531 3.977 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(O)c(O)cc32)N1 587830154 BNNUMFXWAMCGAR-DYBLOJMWSA-N 378.241 3.723 10 1 GHCF COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H]1CCC[C@](C)(O3)O1 13374852 UOWSTUZKQCORDT-XMHCIUCPSA-N 396.395 3.535 10 1 GHCF endogenous,in-man C[C@H]1CC[C@@H]2C(=O)O[C@@H](CN=[N+]=[N-])CN2[C@@H]1c1ccc(Br)cc1 169368099 AREWGIRYUHHIQN-HPEDKQMDSA-N 379.258 3.826 10 1 GHCF COC(=O)c1ccc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807751 MZACXTIJYAJWSU-XLFHBGCDSA-N 394.240 3.704 10 1 GHCF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc(Cl)c(F)cc2O)N1 962981497 VBZQDGOGZQFAFK-XHDPSFHLSA-N 392.160 3.805 10 1 GHCF CN1c2ccc(NC(=O)C3CC3)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 95555512 SMWUENDTNWCHQS-QFIPXVFZSA-N 386.455 3.663 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)c([N+](=O)[O-])c2)N1 587748061 UFDAQZQQRVTSPR-KWKYVRJSSA-N 397.200 3.531 10 1 GHCF CCCCn1c(-c2ccccc2)c(C=C2C(=O)NC(=O)NC2=O)c2ccccc21 103218900 HVPTUYRTBRNJBF-UHFFFAOYSA-N 387.439 3.858 10 1 GHCF CCOC(=O)c1sc(N2N=C(C)[C@H](/N=N\c3cccc(C)c3)C2=O)nc1C 8385744 VWWACEFJSDMIAT-WBOBJJNYSA-N 385.449 3.812 10 1 GHCF O=C1c2ccccc2C(=O)c2cc(Cn3cc(COc4ccccc4)nn3)ccc21 1772610781 WEFUVJIKISIBCT-UHFFFAOYSA-N 395.418 3.681 10 1 GHCF CC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C 40421152 WIBYQJGBQDEORP-UHFFFAOYSA-N 388.876 3.956 10 1 GHCF C[C@]1(c2ccc(O)c(CN3CCOCC3)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963116375 WNYDJDYZJPARHJ-URXFXBBRSA-N 396.506 3.648 10 1 GHCF CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1cn(C[C@H]2CO2)c2ccccc12 653919294 UDOWPNONNWHXNW-HGMDMCOWSA-N 375.403 3.985 10 1 GHCF O=C1c2c(cc3oc4cc(O)c(O)cc4c3c2O)O[C@@H]1Cc1ccc(O)cc1 1857637734 OWIAUHYKEBQUNU-QGZVFWFLSA-N 378.336 3.595 10 1 GHCF CNC(=O)N1CCC=C(c2[nH]c3nccc4c3c2CN(C)c2ccc(F)cc2-4)C1 1772624306 JQGLEIFMEICBDT-UHFFFAOYSA-N 391.450 3.747 10 1 GHCF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)c3ccc(Cl)s3)cc(O)c21 1857588793 KJLIMJWESYOLEC-INIZCTEOSA-N 386.812 3.670 10 1 GHCF O=C(/C=C\c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)Nc1ccccc1 587244044 KPHIAPDDHWVJRF-SEYXRHQNSA-N 393.402 3.990 10 1 GHCF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2c(O)cccc2F)N1 963186530 UJHYERAFTQVQTK-BONVTDFDSA-N 389.732 3.892 10 1 GHCF COc1cc(C[C@H](O)c2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 1857641707 MROIUHYZSRCNAY-IBGZPJMESA-N 386.448 3.878 10 1 GHCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CNC(C)C)(c2ccc(O)c(O)c2)N1 962950333 MNGLHXAQJCPIKX-MWTRTKDXSA-N 379.504 3.745 10 1 GHCF O=C1Nc2ccccc2/C1=C1\C(=O)N(CCc2ccc(O)cc2)c2ccccc21 45339960 AEZRPMYBTDVFLM-QURGRASLSA-N 382.419 3.844 10 1 GHCF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(O)c1O 587806640 KNVJPYLRYYGLCS-PWJLMRLQSA-N 382.229 3.632 10 1 GHCF O=C([C@@H]1Cc2ccccc2[C@H](c2c(O)ccc3ccc(O)cc23)N1)C(F)(F)F 962764250 KYFDJSPAFUMNDK-QFBILLFUSA-N 387.357 3.986 10 1 GHCF CCNC(=O)Oc1ccc2c(c1)CN1CCc3c([nH]c4ccccc34)[C@@H]1N2C 169341049 DYFMOUXCERYGJQ-OAQYLSRUSA-N 376.460 3.783 10 1 GHCF O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(C(F)(F)F)cc2)n1 13490148 JUTGUXZPCAMMMJ-UHFFFAOYSA-N 377.274 3.594 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc([N+](=O)[O-])c2O)N1 587746640 NFJXJIKEHDVTIB-XLFHBGCDSA-N 395.228 4.000 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)cc(C=O)c2O)N1 587823333 UDMWFTMVMQVUQC-XLFHBGCDSA-N 392.224 3.542 10 1 GHCF O=C([C@H]1Cc2ccccc2[C@@H](c2c(O)ccc3ccc(O)cc23)N1)C(F)(F)F 962764246 KYFDJSPAFUMNDK-APWZRJJASA-N 387.357 3.986 10 1 GHCF COc1cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587806578 KCDBORJZVZSSID-NIVTXAMTSA-N 396.256 3.935 10 1 GHCF COc1ccc(N(C)Cc2[nH]c3ccc(OC)cc3c2CCNC(C)=O)cc1 43025693 HQQOJNCZDSKKMT-UHFFFAOYSA-N 381.476 3.500 10 1 GHCF COc1cccc(/N=N/c2c(-c3ccc([N+](=O)[O-])cc3)nn(C(N)=S)c2O)c1 169312528 YTGFHDBDJBFISC-FMQUCBEESA-N 398.404 3.680 10 1 GHCF CC(C)COC(=O)CCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29552101 GQYSIADLXRRAOF-UHFFFAOYSA-N 388.552 3.716 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc3c2OCO3)N1 587833937 JALKAENNKKYBFF-VPTHRUTESA-N 380.213 3.646 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2O)N1 587747950 RATRJPCKVJAKSG-PWJLMRLQSA-N 381.201 3.826 10 1 GHCF COC(=O)c1ccc(-n2c(C)cc3c2CC(C)(C)CC3=O)c(O[C@@H]2CCOC2)c1 587924546 CAUZULAOZNWZCK-MRXNPFEDSA-N 397.471 3.895 10 1 GHCF COc1cccc2c1ccc1nc3cccc(C(=O)NCCCN(C)C)c3nc12 27855838 NKQGFHJQWKUPPI-UHFFFAOYSA-N 388.471 3.626 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc([N+](=O)[O-])c3[nH]1)[C@@H]1CC=C[C@H]21 587277148 PTICCMQSVTWFKD-JKDFXYPNSA-N 392.375 3.909 10 1 GHCF C[C@@]1(c2ccc(N3CCOCC3)c(N)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963109138 UMIGNLGTSXKUOE-WMZHIEFXSA-N 381.495 3.529 10 1 GHCF CC(=O)O[C@H](C)c1cc2c(s1)C(=O)c1c([C@@H](C)OC(C)=O)csc1C2=O 1636042 YTSZWYKKYYULHX-HTQZYQBOSA-N 392.454 3.833 10 1 GHCF Cc1c(C=O)[nH]c(-c2ccc3c(n2)C(=O)C(=N)C=C3O)c2nc3ccccc3c1-2 100808595 GUNKDSNCRDDPPM-UHFFFAOYSA-N 382.379 3.966 10 1 GHCF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(CC(N)=O)c3ccccc13)CC2=O 587470587 LRGDXACWTWBWCC-HXUWFJFHSA-N 392.455 3.800 10 1 GHCF CCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1 13537302 JFECJEQZHIZOBF-XLIONFOSSA-N 388.416 3.677 10 1 GHCF CC(C)Cn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@H](C)[C@@H](C)O)CN(C)[C@H]1C2 253633748 NRMCOBVLHDZQFD-HGWOPWLJSA-N 398.547 3.570 10 1 GHCF O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(Cl)cc2Cl)n1 13470145 MPVYRJFQIDKHMY-UHFFFAOYSA-N 378.167 3.882 10 1 GHCF COc1cc(O)cc(O)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807335 NBPNLLSLZKZWOB-NIVTXAMTSA-N 396.256 3.806 10 1 GHCF Oc1ccc([C@]2(c3cccnc3)c3ccc(F)cc3C[C@H]3CCCN32)c(O)c1 963094538 CGPHDQSJQMCKMZ-JPYJTQIMSA-N 376.431 3.944 10 1 GHCF COC(=O)c1ccc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807754 MZACXTIJYAJWSU-XYZCENFISA-N 394.240 3.704 10 1 GHCF O=C1N=C(NC[C@H](CO)c2ccccc2)S/C1=C\c1ccc2ncccc2c1 28821316 QEKBEGHSZUAPOY-BDBXIWDTSA-N 389.480 3.571 10 1 GHCF CCCc1c(O)ccc2c1O[C@@H](c1cc(CN(C)C)c(O)c(OC)c1)CC2=O 587467616 FRCHXXNIYLKHNI-LJQANCHMSA-N 385.460 3.827 10 1 GHCF Cc1cc(Nc2ccc(F)cc2C(=O)O)c2c(c1N)C(=O)c1ccccc1C2=O 1772628327 BULNEEBWYIZDTB-UHFFFAOYSA-N 390.370 3.934 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c2ccc(O)c3O)N1 587832075 JDUCZLJUJWVAHI-LZVRBXCZSA-N 378.241 3.723 10 1 GHCF CC(C)=CCc1c(O)cc2oc3c(c(=O)c2c1O)OCc1c-3ccc(O)c1O 238786316 ZICWXVPTHOQBIN-UHFFFAOYSA-N 382.368 3.684 10 1 GHCF O=Cc1ccc(OCCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587566566 TXHIBRNAMCVUSH-UHFFFAOYSA-N 396.402 3.772 10 1 GHCF CC(=O)Oc1cccc2c1C(=O)c1c(ccc(CC(C)C)c1OC(C)=O)C2=O 29390108 LWTLCXOFDKZZIK-UHFFFAOYSA-N 380.396 3.511 10 1 GHCF COc1ccc(C2=NN(Cc3ccccc3O)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26504816 FUIUVFLWJWRMIR-ROUUACIJSA-N 394.471 3.962 10 1 GHCF CC(=O)N[C@@H](c1cccs1)c1cc(Br)c2cccnc2c1O 38142064 FREDZQWTOHKXRX-CQSZACIVSA-N 377.263 3.990 10 3 GHCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587435125 CWDUNGZEBFJVOS-JCLLXNLSSA-N 391.467 3.879 10 1 GHCF O=C(Nc1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)CC2)[C@H]1CCCO1 14951901 ISCPKICLYHVZQB-HXUWFJFHSA-N 386.879 3.721 10 1 GHCF COC(=O)c1ccc(-n2c(C)cc(C/N=N/c3nc(C)cc(=O)[nH]3)c2C)cc1 169688908 BPYFJGXJQUXTRN-DARPEHSRSA-N 379.420 3.556 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)O)cc2O)N1 587824059 YHWKOTPZALOCDK-DYBLOJMWSA-N 394.240 3.790 10 1 GHCF COc1cccc2c1ccc1nc3c(C)ccc(C(=O)NCCN(C)C)c3nc12 27762906 NWBJUOIOERGURY-UHFFFAOYSA-N 388.471 3.545 10 1 GHCF COc1cc(F)c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1F 1772581809 RTOPWSPJIPKCOW-SUMWQHHRSA-N 390.430 3.828 10 1 GHCF Cc1ccc([N+](=O)[O-])cc1N[C@H]1[C@H]2C(=O)C(=O)c3ccccc3[C@@H]2OC1(C)C 169300412 UIUSKAFVOLYMHU-VDGAXYAQSA-N 380.400 3.615 10 1 GHCF Cc1cc(N)c(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587751376 YCMLTENJDPKNKL-YPMLDQLKSA-N 379.273 3.982 10 1 GHCF COc1cc2c(cc1OC)[C@](C)(CCN=[N+]=[N-])N(C(=O)c1ccccc1N)CC2 963157466 RBNXHOVNPBHBNQ-NRFANRHFSA-N 395.463 3.900 10 1 GHCF Cc1ccc2nc(C[C@@H]3CN(Cc4ccccc4O)CC[C@H]3CC(=O)O)[nH]c2c1 2356316731 LKSFCUNIADOOTK-FUHWJXTLSA-N 393.487 3.732 10 1 GHCF CCc1ccc(/C=C2\SC(N[C@@H](CC(=O)O)c3ccc(F)cc3)=NC2=O)o1 28816691 YZUPLCSLRIDFNO-HVVQPJKBSA-N 388.420 3.757 10 1 GHCF COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccc(C)cc3C)CC2)cc1 95574414 VBVITXWQWSIKDR-JOCHJYFZSA-N 397.519 3.661 10 1 GHCF CC[C@@]1(c2c(O)cc(O)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587822798 RDDRPVRJVFQKSN-DYBLOJMWSA-N 396.256 3.893 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(O)cc2O)N1 587744970 IPVSYSQRFGBXAR-VGDKGRGNSA-N 397.200 3.531 10 1 GHCF Cc1cccc2c(/N=N\C(=O)[C@H](C)n3cnc4ccccc4c3=O)c(O)[nH]c12 13125305 CDLCTDYZIBTGGI-CFWHJENQSA-N 375.388 3.763 10 1 GHCF COc1ccc(C2=NN(Cc3ccccc3O)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474104 FUIUVFLWJWRMIR-ZWKOTPCHSA-N 394.471 3.962 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc([N+](=O)[O-])c2O)N1 587715286 BVCWNZGDONLLNP-ZIDLFYJRSA-N 399.191 3.965 10 1 GHCF CCn1c(O)c(/N=N\C(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 169293455 YJBJSDQZROZADX-HBRPNDQCSA-N 376.416 3.507 10 1 GHCF CN(C)c1ccc(C=C2C(=O)Nc3ccc(I)cc32)cc1 1857624412 UKQFLSBOEQVNAM-UHFFFAOYSA-N 390.224 3.850 10 1 GHCF CC(C)=CCOCc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O 14758559 CBVYNPBPPIHKOV-UHFFFAOYSA-N 384.384 3.765 10 1 GHCF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)O)ccc2O)N1 587819864 BVLGPDUILTUNHM-ZKANADHPSA-N 380.213 3.616 10 1 GHCF CCOc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1OC 95552616 ZKBHENYOWGYBHF-BOPFTXTBSA-N 381.388 3.808 10 1 GHCF COc1c(C(C)C)c(O)c(O)c2c1[C@H](OC)[C@@H]1OC(=O)[C@@]23CCCC(C)(C)[C@@H]13 100775680 DHNUPRDARUHAJK-VWNVYAMZSA-N 390.476 3.920 10 1 GHCF endogenous,in-man Cc1ccc([N+](=O)[O-])cc1N[C@H]1[C@@H]2C(=O)C(=O)c3ccccc3[C@@H]2OC1(C)C 169300411 UIUSKAFVOLYMHU-UXPWSPDFSA-N 380.400 3.615 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)c3ccccc3C2=O)N1 587818710 FHNBMJCBSLAFBZ-OVWNDWIMSA-N 388.236 3.787 10 1 GHCF CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 1857618689 WGANINVBPKLURP-DLBZAZTESA-N 392.330 3.679 10 1 GHCF O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(Cl)c(Cl)c2)n1 13490150 LYQQOYQMUUKWFA-UHFFFAOYSA-N 378.167 3.882 10 1 GHCF O=C(O[C@@H]1Cc2ccccc2O[C@@H]1c1ccccc1)c1cc(O)c(O)c(O)c1 24215291 CFGCVSCATFZPPH-TZIWHRDSSA-N 378.380 3.705 10 1 GHCF [N-]=[N+]=NCCC[C@@H]1CC[C@@]2(CC1=O)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962731766 UIHQOSBHJZKLJH-MRAWALMUSA-N 394.397 3.987 10 1 GHCF CCn1c(O)c(/N=N/C(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 101788811 UAQYDLPMVMBLFE-PSLFGSNJSA-N 376.416 3.807 10 1 GHCF C[C@H](F)C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149933463 MQOOTKHHTCGRAQ-GJZGRUSLSA-N 384.451 3.597 10 1 GHCF Cc1cc(N)c(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587750398 UDNSJORUWMCISS-MLCYQJTMSA-N 379.273 3.982 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cc(O)cc2O)N1 587820790 FJMQBMNNRWDDTM-QPFGOUBPSA-N 382.229 3.503 10 1 GHCF Cc1nc2c(C(=O)N[C@@H]3CCCC[C@@H]3C)cnn2c(O)c1Cc1ccccc1F 9597700 BPEDCAGKUQSBOP-ORAYPTAESA-N 396.466 3.782 10 1 GHCF COc1cc2c3c(c1)OC1(CCN(c4ccc5c(c4)CCC5)CC1)[C@@H](C2)C3=O 587439723 WLQTVSZZMKMAHB-FQEVSTJZSA-N 375.468 3.971 10 1 GHCF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCNc1c2ccccc2nc2ccccc12 28643316 NMXILYPHEODMRP-YQMDMEMYSA-N 383.451 3.607 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2O)N1 587747949 RATRJPCKVJAKSG-BCTVWOGZSA-N 381.201 3.826 10 1 GHCF CCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N(Cc2ccco2)C1=O 2178617 VHCYRQJLPWZHBI-RGEXLXHISA-N 395.459 3.520 10 3 GHCF O=C(/C=C/c1ccc(O)cc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 58581497 MPGATMWXATYLTF-ZZXKWVIFSA-N 380.227 3.708 10 1 GHCF Oc1ccc(Cl)c(Br)c1[C@H]1NCCc2nc3ccccn3c21 962984387 CXBYXBCDVAAGOA-OAHLLOKOSA-N 378.657 3.691 10 1 GHCF CC(=O)Nc1ccc(/C=C2/SC(=S)N(CC(=O)c3ccccc3)C2=O)cc1 1857574994 LTDSTUMOKIFRPL-WOJGMQOQSA-N 396.493 3.729 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c21 586903844 QLKZYZWSDZFXDO-IEBWSBKVSA-N 380.403 3.907 10 1 GHCF Cc1c(O)c(C=O)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587823851 WTHCBOSJWORCOL-ZKANADHPSA-N 394.240 3.744 10 1 GHCF Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccccc1)C2 29131766 WLLWAVKDPQIQND-UHFFFAOYSA-N 397.327 3.880 10 1 GHCF COC(=O)[C@@H]1C(=O)c2c3c(n(Cc4ccccc4)c2C[C@H]1C)-c1ccccc1C3=O 6488675 QZGUNYABOLLCIK-KUHUBIRLSA-N 399.446 3.912 10 1 GHCF CO[C@]12C=C(c3ccc(OC(C)=O)c4ncccc34)[C@H]1C(=O)c1ccccc1C2=O 96934669 CHQCQBRXPSDFPY-GBXCKJPGSA-N 399.402 3.638 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)O)cc2O)N1 587820294 CPSSFNRPNSOELO-YYSFKGJASA-N 394.240 3.790 10 1 GHCF C[C@H]1Cc2cc(O)c(O)cc2CN1C(=S)NCCc1ccc(Cl)cc1 29132192 JTBJYUMQQUOIOG-LBPRGKRZSA-N 376.909 3.615 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)c(O)cc2[N+](=O)[O-])N1 587746709 KKVCKVONDCNEAW-HYORBCNSSA-N 397.200 3.531 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2O)N1 587748186 SNKKNSCVQFZXLO-BCTVWOGZSA-N 381.201 3.826 10 1 GHCF Oc1cc(Br)c(Oc2cc(O)c(O)cc2Br)cc1O 64527141 DKSXYZJLEQAKEC-UHFFFAOYSA-N 391.999 3.826 10 1 GHCF COc1ccc2c(c1OC)C(=O)O[C@H]2n1c(O)c(/N=N/C(C)=O)c2ccccc21 101686175 IKZQLYKHRRNJHJ-XKXPVHLMSA-N 395.371 3.712 10 1 GHCF O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3cccc([N+](=O)[O-])c3)c12 72176279 URNDPXQSAZWIFU-UHFFFAOYSA-N 395.323 3.550 10 1 GHCF CCOc1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205519259 ABMGTFXRYWKLCO-UHFFFAOYSA-N 388.349 3.901 10 1 GHCF CC(=O)Oc1c(-c2ccc(O)cc2)c(O)c(O)c2c1oc1cc(O)c(O)cc12 138972288 UPPQZHVWPGCANH-UHFFFAOYSA-N 382.324 3.706 10 1 GHCF CN1CCN(c2ccc3c(c2)CN(C(=O)OCc2ccccc2)CCC3)CC1 1857631726 LIJWSZNFGYHJFQ-UHFFFAOYSA-N 379.504 3.523 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)cc(C=O)c2O)N1 587823331 UDMWFTMVMQVUQC-VVVCHXIZSA-N 392.224 3.542 10 1 GHCF COC(C=CC(=O)O)=CC(C)=C[C@H]1CCCC(c2cc(O)c(O)cc2O)=C1O 2356692446 WKLFGCOQAHCWHB-CYBMUJFWSA-N 388.416 3.990 10 1 GHCF C[C@H]1CC[C@H]2C(=O)O[C@@H](CN=[N+]=[N-])CN2[C@@H]1c1ccc(Br)cc1 38792081 AREWGIRYUHHIQN-HJPIBITLSA-N 379.258 3.826 10 1 GHCF COc1ccc(CN2CC[C@H]3CC(=O)N(c4ccccc4)CC[C@H]3C2)c(O)c1 15672963 DXYYWJFZKLXVQL-ROUUACIJSA-N 380.488 3.666 10 1 GHCF biogenic CC1=NN(c2cccc(F)c2)C(=O)/C1=C/c1cn(C[C@H]2CO2)c2ccccc12 653919298 UGNKBECWYBJQQQ-VTTDFXIBSA-N 375.403 3.985 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(O)c(O)cc32)N1 587830160 BNNUMFXWAMCGAR-YYSFKGJASA-N 378.241 3.723 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3csc4nccn34)[nH]c21 587040763 PTVRBNIKAYUHQD-UHFFFAOYSA-N 384.420 3.638 10 1 GHCF CCOC(=O)c1ccc2c(c1)nc(-c1ccc(N3CCCCC3)cc1)n2CCO 103226369 PQQQPAYMBCNDDQ-UHFFFAOYSA-N 393.487 3.863 10 1 GHCF C[C@@H](O)c1ncc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)s1 587021194 GHYUBHFKYKAIRJ-SECBINFHSA-N 375.409 3.515 10 1 GHCF COC(=O)c1ccc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587807254 LSWWHPGRQIGUMN-HUTHGQBESA-N 394.240 3.704 10 1 GHCF CCCCCc1c(C)c(O)nc2c1C(=O)c1c(nc(O)c(C)c1CCC)C2=O 2356787164 BFXMNDIUBUPFIT-UHFFFAOYSA-N 382.460 3.965 10 1 GHCF CC(C)[C@H]1c2cc(O)c(O)cc2CCN1C(=S)NCCc1ccc(F)cc1 1857550044 DXJGLNHZKVTGSM-FQEVSTJZSA-N 388.508 3.909 10 1 GHCF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587804530 BRHSTZHPDCXKOQ-ABKXIKBNSA-N 396.256 3.935 10 1 GHCF Oc1ccc([C@]2(c3cccnc3)c3ccc(F)cc3C[C@@H]3CCCN32)c(O)c1 963094544 CGPHDQSJQMCKMZ-MBSDFSHPSA-N 376.431 3.944 10 1 GHCF C[C@@]1(c2ccc(N3CCOCC3)c(N)c2)c2ccc(F)cc2C[C@H]2CCCN21 963109134 UMIGNLGTSXKUOE-AUSIDOKSSA-N 381.495 3.529 10 1 GHCF COc1cc(O)cc(O)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587807334 NBPNLLSLZKZWOB-LZVRBXCZSA-N 396.256 3.806 10 1 GHCF CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc(Br)ccc1O 95563892 OSFOPSLAHGQODQ-MRXNPFEDSA-N 377.213 3.991 10 1 GHCF CC(=O)N[C@@H](C)CCc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149969003 XVSVNYQYPIHVDW-INIZCTEOSA-N 380.488 3.519 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(O)c2O)N1 587824197 YQRZDSBHRQFWRI-QPFGOUBPSA-N 382.229 3.503 10 1 GHCF C[C@H]1CC[C@@H]2C(=O)O[C@H](CN=[N+]=[N-])CN2[C@@H]1c1ccc(Br)cc1 64479715 AREWGIRYUHHIQN-QOWREQOWSA-N 379.258 3.826 10 1 GHCF COc1cc(OC)c(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587806220 JAOSLDWBFHVRIV-XLFHBGCDSA-N 396.256 3.935 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)cc(C=O)c2O)N1 587819857 BVIPYECGSVSJSD-XLFHBGCDSA-N 392.224 3.542 10 1 GHCF COc1ccc(O)c([C@@]2(CCC(=O)O)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963119812 ZMWRRYNZOBFYBP-KSFYIVLOSA-N 385.435 3.669 10 1 GHCF CCc1cccc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(Cl)nc12 169350390 YUGLQNFBAQSCDZ-GHXNOFRVSA-N 392.889 3.736 10 1 GHCF CC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1C(=O)C(=O)[C@H]1NCCC(C)(C)C 40747346 FZQOPLSSCRAOQW-PMPSAXMXSA-N 383.410 3.540 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c21 586903845 QLKZYZWSDZFXDO-MJGOQNOKSA-N 380.403 3.907 10 1 GHCF O=C(/C=C/c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)Nc1ccccc1 587243949 KPHIAPDDHWVJRF-OUKQBFOZSA-N 393.402 3.990 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c21 587969422 PHRFBBVGWXJMDJ-GEUBLBNHSA-N 396.446 3.985 10 1 GHCF Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(CN(C)c3ccccc3)c(O)c1C2=O 1772574835 AENQYXHZPMFIER-UHFFFAOYSA-N 389.407 3.524 10 1 GHCF Cc1ccc(C)c2nc(Cl)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc12 169350393 ADNAABBYWQRJLB-SDQBBNPISA-N 392.889 3.791 10 1 GHCF CC(=O)N1CCN(c2ccc([C@@H]3c4c(F)cccc4C[C@H]4CCCN43)cc2)CC1 963115389 WBOHPHQZNIYKRK-ZJSXRUAMSA-N 393.506 3.604 10 1 GHCF O=C(O)CCN1C(=O)/C(=C/c2ccc(Cc3ccccc3)cc2)SC1=S 1857756604 YKVXJQXEIKAVJJ-LGMDPLHJSA-N 383.494 3.953 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)O)cc2O)N1 587820276 CPSSFNRPNSOELO-DYBLOJMWSA-N 394.240 3.790 10 1 GHCF O=C1c2c(O)cccc2Cc2ccc(CCCc3cc(O)c(O)c(O)c3)c(O)c21 13490528 UXQYMTVYTHZQRQ-UHFFFAOYSA-N 392.407 3.525 10 1 GHCF O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2O)cc1 13584452 FGZMOJQEHIEJSS-UHFFFAOYSA-N 393.428 3.781 10 1 GHCF Cc1cccc(/N=N/C(=C2/NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])c1C 103206348 RIYRXSSEEDDJQL-VGMYHVDBSA-N 386.843 3.944 10 1 GHCF C[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)n1cc(Cl)cn1 587082141 LPGAFEMBFFRBLJ-SNVBAGLBSA-N 376.803 3.798 10 1 GHCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCN=[N+]=[N-])c2ccccc21 587473315 RRGVBPMKFWJFSM-NRFANRHFSA-N 392.415 3.862 10 1 GHCF COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@@H](C)N(C)C)c3nc12 27852545 GVEYKYRTFVKZLF-CQSZACIVSA-N 388.471 3.625 10 1 GHCF O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCCCCC3)sc21 299830978 HVGFFXBYFVBBIX-UHFFFAOYSA-N 394.452 3.863 10 1 GHCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)c3ccc(Cl)s3)cc(O)c21 1857588794 KJLIMJWESYOLEC-MRXNPFEDSA-N 386.812 3.670 10 1 GHCF Oc1cc2c(cc1O)C[C@H](NCCC(c1ccccc1)c1ccccc1)[C@@H](O)C2 27720899 FDZIPPRVXODLHQ-GOTSBHOMSA-N 389.495 3.738 10 1 GHCF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cccc(C(F)(F)F)c2O)N1 963222692 LNBBNZRWZJSECH-IAGOWNOFSA-N 388.345 3.648 10 1 GHCF CN(C)c1ccc(-c2ccnc3c2C(=O)c2sc([N+](=O)[O-])cc2C3=O)cc1 1857632639 JQPUGHJNQZKYKY-UHFFFAOYSA-N 379.397 3.560 10 1 GHCF C[C@H](NC(=O)[C@@H](C)F)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149933263 MQOOTKHHTCGRAQ-CABCVRRESA-N 384.451 3.597 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2O)N1 587748188 SNKKNSCVQFZXLO-VPTHRUTESA-N 381.201 3.826 10 1 GHCF C[C@H](CN(C)C)Oc1cc2oc3c(c2cc1Cl)C(=O)c1cccnc1C3=O 28714001 JTKGQAOAZSNXIC-SNVBAGLBSA-N 384.819 3.586 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(N)=O)c3[nH]1)[C@H]1CC=C[C@H]21 587275355 CRZRCPDNNMKVEE-JMERFSKESA-N 389.415 3.705 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc([N+](=O)[O-])c3[nH]1)[C@H]1CC=C[C@H]21 587277150 PTICCMQSVTWFKD-PRXAMGSTSA-N 392.375 3.909 10 1 GHCF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)C(=O)c1ccccc1)(c1ccccc1)O2 587404627 GJODQBVIUOKTRA-XMMPIXPASA-N 385.419 3.890 10 1 GHCF O=C(O)C[C@H]1CCN(Cc2ccccc2O)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356302738 WSBFIOPZUANCBY-GDBMZVCRSA-N 397.450 3.563 10 1 GHCF Cc1cc(=O)oc2cc(N3C(=O)CS[C@H]3c3ccc(N(C)C)cc3)ccc12 49745046 RCUHRHQGAXXZNC-NRFANRHFSA-N 380.469 3.946 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)O)cc2O)N1 587824063 YHWKOTPZALOCDK-NIVTXAMTSA-N 394.240 3.790 10 1 GHCF CC(=O)N[C@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)cc3)C2)nc1 1772609984 GVKSFXSFUFTJMA-ZHRRBRCNSA-N 395.503 3.725 10 1 GHCF O=C(Nc1ccc(NC(=O)c2ccccc2O)cc1)Nc1ccc(O)c(O)c1 13535936 MPMYPDXRHZUVHA-UHFFFAOYSA-N 379.372 3.700 10 1 GHCF COc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1N1CCN(C)CC1 299821354 KZWAHJAXURXBEA-GZTJUZNOSA-N 383.879 3.593 10 1 GHCF COC(=O)Cn1c(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587432880 ZREAZMOLFHLKKS-WAIKUNEKSA-N 391.423 3.620 10 1 GHCF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CCNc1c2ccccc2nc2ccccc12 195326784 NMXILYPHEODMRP-RPQNVMPDSA-N 383.451 3.607 10 1 GHCF CCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(C)cn2)cc1=O 209426156 ASPVERYFTZUOQI-MSOLQXFVSA-N 376.460 3.520 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)CCO)cc2)N1 587740270 JBOSMKJXHUWPIQ-CWTRNNRKSA-N 393.300 3.640 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(C3=Cc4cccc(O)c4OC3)nc21 586906951 BOOCYVXBDSDCFD-UHFFFAOYSA-N 394.386 3.977 10 1 GHCF O=C(O)CN1C(=O)/C(=C/c2cccc(OCCc3ccccc3)c2)SC1=S 1857558648 STKZJPQZNBVHCZ-ATVHPVEESA-N 399.493 3.594 10 1 GHCF COc1cc2c3c(c1)O[C@](C(=O)C(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587444785 GVWHDRKSOIKRMZ-UQBPGWFLSA-N 398.414 3.790 10 1 GHCF COc1ccccc1C(=O)NCC(=O)/N=N/c1c(O)n(C(C)C)c2ccccc12 101780430 OMGVPHFJNHJKAD-WCWDXBQESA-N 394.431 3.977 10 1 GHCF CN(C)c1ccc(/C=C2/C(=O)Nc3ccc(I)cc32)cc1 82056524 UKQFLSBOEQVNAM-OQLLNIDSSA-N 390.224 3.850 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc([N+](=O)[O-])c2O)N1 587746632 NCPUURHVEIZMKL-XLFHBGCDSA-N 395.228 4.000 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)O)ccc2O)N1 587819860 BVLGPDUILTUNHM-BCTVWOGZSA-N 380.213 3.616 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c2ccc(O)c3O)N1 587835847 YOKNKMZHDRFMAS-LZVRBXCZSA-N 378.241 3.723 10 1 GHCF COc1c(C(C)C)c(O)c(O)c2c1[C@@H](OC)[C@@H]1OC(=O)[C@@]23CCCC(C)(C)[C@@H]13 100775682 DHNUPRDARUHAJK-MOXWOTFGSA-N 390.476 3.920 10 1 GHCF endogenous,in-man O=C(NCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccccc1 28767288 VDQVPCIVQDWDSI-UHFFFAOYSA-N 393.531 3.514 10 1 GHCF O=C(c1ccc(O)c(Br)c1)c1cc(O)c(O)cc1Br 53296953 BDELDANMBLDDNL-UHFFFAOYSA-N 388.011 3.559 10 1 GHCF Cc1nc2c(C(=O)N[C@H]3CCCC[C@@H]3C)cnn2c(O)c1Cc1ccccc1F 9597701 BPEDCAGKUQSBOP-DJJJIMSYSA-N 396.466 3.782 10 1 GHCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c2ccc(O)c1O 587609326 OFXDDUUXOXLESS-XMSQKQJNSA-N 376.364 3.607 10 1 GHCF CCC(CC)C(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O 96929296 WGGYFPMBTSUJLN-UXBLZVDNSA-N 384.432 3.830 10 1 GHCF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2c(O)cccc2F)N1 963186533 UJHYERAFTQVQTK-MEBBXXQBSA-N 389.732 3.892 10 1 GHCF Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 1911573347 RTYWWBVIDCCLFT-UHFFFAOYSA-N 378.384 3.616 10 1 GHCF CN(C1=NC(=O)/C(=C\c2ccc(N3CCOCC3)cc2)S1)c1ccccc1 206111391 RAVDSRSQPHOWKI-XDJHFCHBSA-N 379.485 3.630 10 1 GHCF CCOc1cccc2c1C(=O)c1c(OCC)cc(NC(=O)CN=[N+]=[N-])cc1C2=O 206564236 ZJQHBRAJUNHHDZ-UHFFFAOYSA-N 394.387 3.508 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc([N+](=O)[O-])c2O)N1 587746630 NCPUURHVEIZMKL-HUTHGQBESA-N 395.228 4.000 10 1 GHCF CCOC(=O)Cc1cc(-c2ccccc2)n(-c2ccc(S(C)(=O)=O)cc2)c1C 28862705 GKGQUZAYJBBZEK-UHFFFAOYSA-N 397.496 3.962 10 1 GHCF CCn1cc(C=C2C(=O)OC(C)(C)OC2=O)c2cc(Br)ccc21 96929596 HBRJTIFPQGLFPJ-UHFFFAOYSA-N 378.222 3.643 10 1 GHCF CN1CCN(c2ccc(/C=C3/SC(Nc4ccccc4)=NC3=O)cc2)CC1 299862006 IZYJNKDFJGRFET-XDJHFCHBSA-N 378.501 3.521 10 1 GHCF Cc1cc2c(n1-c1ccc(C(=O)N3CCC4(CC3)OCCO4)cc1)CC[C@H](C)C2 6878012 WBYKWCUFDBZGCH-KRWDZBQOSA-N 394.515 3.890 10 1 GHCF COc1cc(OC)c2c(c1)C(=O)c1cc(O)c([C@H]3CCC[C@@H](C)O3)c(O)c1C2=O 13374841 QUTAPJWSNWFOGY-MEBBXXQBSA-N 398.411 3.521 10 1 GHCF biogenic CN(C)c1ccc(/C=c2/c3cc(O)ccc3n3c2cc(-c2ccccc2)[n+]3C)cc1 5581992 AXMKQIIFHHCONA-UHFFFAOYSA-O 394.498 3.903 10 3 GHCF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)CN=[N+]=[N-])c1)[C@@H](C2)C3=O 587434424 VAOMBWFRFDXYKI-MGPUTAFESA-N 378.388 3.607 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(N)c(N)cc3[nH]1)[C@H]1CC=C[C@H]21 587276036 IBOVAQAMZSEVAD-ZKTNFTSUSA-N 376.420 3.770 10 1 GHCF COc1cc(OC(C)C)ccc1N1CC(Oc2ccc([C@H](C)NC(C)=O)cc2)C1 142311328 RVMWJMOWSSCHGE-INIZCTEOSA-N 398.503 3.947 10 1 GHCF COc1ccc(CN2Cc3cc(N4CCCCC4)ccc3-n3nncc3C2)cc1 72136529 AYLNOFQLQYQYBX-UHFFFAOYSA-N 389.503 3.782 10 3 GHCF N=c1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c2ccccc2[nH]1 587254022 OUGBCQRFPISUJC-UHFFFAOYSA-N 390.402 3.966 10 1 GHCF C[C@H]1CCCCN1Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12 72125050 PVVBIHNULAVJNX-LBPRGKRZSA-N 397.427 3.657 10 1 GHCF [N-]=[N+]=NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(F)ccc1-2 28711232 LQGLOUDGFFIQNH-UHFFFAOYSA-N 393.334 3.961 10 1 GHCF CCN1[C@H](c2ccc(Cl)cc2)[C@H](CNCc2ccccc2O)C[C@]1(C)CO 299809241 JPXJCCBSAFYQMW-VLCRHTCISA-N 388.939 3.969 10 1 GHCF COc1cc(O)cc(O)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806225 JCDZKUPGBHKURH-YYSFKGJASA-N 396.256 3.806 10 1 GHCF COCc1c(Br)c(O)c(O)c(Br)c1Br 14769541 DDCGTIAYZULVGZ-UHFFFAOYSA-N 390.853 3.532 10 1 GHCF biogenic CCn1c(O)c(N=NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c2ccccc21 253916650 YJBJSDQZROZADX-WBVHZDCISA-N 376.416 3.507 10 1 GHCF Oc1cc2c(cc1O)CN(C(=S)NCCc1ccccc1Cl)CCC2 29132676 PPDANKLCIYHIEO-UHFFFAOYSA-N 376.909 3.617 10 1 GHCF Oc1cc(-c2nc(Cc3ccc4[nH]ncc4c3)c3ccccc3n2)cc(O)c1O 58576395 PRIYYIWBOXUINQ-UHFFFAOYSA-N 384.395 3.881 10 1 GHCF Cc1c(NC(N)=O)cccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587239795 XTAWVSZYVOGDFR-UHFFFAOYSA-N 396.406 3.804 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)ccc2O)N1 587822032 LCPYJLHJEVQOAS-NIVTXAMTSA-N 394.240 3.790 10 1 GHCF O=C(C[C@@H]1SC(/N=N/c2c(O)[nH]c3ccccc23)=NC1=O)Nc1ccccc1 100703174 LKJSSEINCOQELN-OLMMQFJWSA-N 393.428 3.984 10 1 GHCF Cc1c(O)c(C=O)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587821013 GISNXJAUPQKIDK-PWJLMRLQSA-N 394.240 3.744 10 1 GHCF CCN(CC)Cc1cc(Nc2ccnc3ccc4nn(C)nc4c23)ccc1O 1629887 BRPMFHOQUZMJBM-UHFFFAOYSA-N 376.464 3.808 10 1 GHCF C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2cc(N)ccc21 26843171 MCYOWADSTOXWPL-UHFFFAOYSA-O 393.492 3.515 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2O)OCO3)N1 587834336 KZGGXEHXIHLGQF-YYSFKGJASA-N 394.240 3.820 10 1 GHCF CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@@]1(OC)OC3=O 257480632 MCHRWEBHSKWYBW-UDKICSLYSA-N 390.476 3.886 10 1 GHCF endogenous,in-man C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2ccc(N)cc21 26935559 KNKQWFUMXGGDFO-UHFFFAOYSA-O 393.492 3.515 10 1 GHCF Oc1c(Cl)cc(Cl)cc1C1=NN[C@@H](c2ccc(N3CCOCC3)cc2)C1 49034657 UTCKLOSNBABJNU-QGZVFWFLSA-N 392.286 3.974 10 1 GHCF COc1ccc2c(c1OC)C(=O)O[C@H]2n1c(O)c(N=NC(C)=O)c2ccccc21 253677423 IKZQLYKHRRNJHJ-LJQANCHMSA-N 395.371 3.712 10 1 GHCF COc1ccc(N2N=C(C)/C(=C\c3cn(C[C@@H]4CO4)c4ccccc34)C2=O)cc1 653919246 FJVWOHAUVMFRPA-GWJWUGQSSA-N 387.439 3.855 10 1 GHCF CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cccc(OC)c2O)CC1 12385729 CPJKJYRQDTXRIM-UHFFFAOYSA-N 383.488 3.789 10 3 GHCF c1cc(N2CCCC2)ccc1CNCCNCc1ccc(N2CCCC2)cc1 1857554188 SKCZSHJKRVAOLQ-UHFFFAOYSA-N 378.564 3.766 10 1 GHCF COc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3ccccc3O)C2)cc1 299869950 VRMYKABCYNPNTM-NRFANRHFSA-N 393.487 3.564 10 1 GHCF COc1cc(/C=C\c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc(O)c1O 587786813 XWWQEXSWCOFVJE-UQCOIBPSSA-N 388.427 3.985 10 1 GHCF C[C@@]1(c2ccc(O)c(CN3CCOCC3)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963116378 WNYDJDYZJPARHJ-XUZZJYLKSA-N 396.506 3.648 10 1 GHCF O=c1cc(-c2ccccc2)oc2c(Cc3cccc(O)c3O)c(O)cc(O)c12 31167698 MAFSHIJISCSKKD-UHFFFAOYSA-N 376.364 3.873 10 1 GHCF biogenic Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])cnc3[nH]1)[C@@H]1CC=C[C@H]21 587276875 OLKGZNQDHBQRFZ-AHIWAGSCSA-N 392.375 3.909 10 1 GHCF CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc(Br)ccc1O 95563891 OSFOPSLAHGQODQ-INIZCTEOSA-N 377.213 3.991 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C(=O)c3ccccc32)N1 587824582 XONLWQNGXWVJJR-DGIBIBHMSA-N 388.236 3.522 10 1 GHCF O=[N+]([O-])C(/N=N/c1ccccc1Cl)=C1\NCCN1Cc1ccc(Cl)nc1 103216824 ZNKHQUFRVPDGKI-DYUKIBRESA-N 393.234 3.981 10 1 GHCF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(CN4CCCC4)c1)[C@@H](C2)C3=O 587444204 NUXWNTLQQADOBX-MBSDFSHPSA-N 379.456 3.659 10 1 GHCF CC[C@]1(c2c(O)cc(O)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587822802 RDDRPVRJVFQKSN-YYSFKGJASA-N 396.256 3.893 10 1 GHCF COC(C=CC(=O)O)=CC(C)=C[C@@H]1CCCC(c2cc(O)c(O)cc2O)=C1O 2356692447 WKLFGCOQAHCWHB-ZDUSSCGKSA-N 388.416 3.990 10 1 GHCF CCOC(=O)N1CCN(CCCNc2c3ccccc3nc3ccccc23)CC1 45228951 JZOYUIZMEYBJJV-UHFFFAOYSA-N 392.503 3.964 10 1 GHCF Cc1cc(=O)oc2cc(N3C(=O)CS[C@@H]3c3ccc(N(C)C)cc3)ccc12 49745047 RCUHRHQGAXXZNC-OAQYLSRUSA-N 380.469 3.946 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2O)OCO3)N1 587832704 CAXBIPUCRUJICG-WNWIJWBNSA-N 380.213 3.646 10 1 GHCF C[C@H](COc1cc2oc3c(c2cc1Cl)C(=O)c1cccnc1C3=O)N(C)C 28714003 MHLDFTSFDRBGTQ-SNVBAGLBSA-N 384.819 3.586 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc([N+](=O)[O-])c2O)N1 587746641 NFJXJIKEHDVTIB-XYZCENFISA-N 395.228 4.000 10 1 GHCF COc1cc(/C=C\c2nc3cc(Br)c(C)nc3[nH]2)cc(O)c1O 587785302 LAIFKDJTTZVAMF-ARJAWSKDSA-N 376.210 3.619 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C(=O)c3ccccc32)N1 587824577 XNPQKHFFIOUELA-GIGQVBGESA-N 388.236 3.522 10 1 GHCF CN1CCN(Cc2cc(CNC3(c4ccc(F)cc4)CCCC3)ccc2O)CC1 473109157 QBVFSXGKEMQSHQ-UHFFFAOYSA-N 397.538 3.838 10 1 GHCF COc1c(O)c(O)cc(-c2coc3cc(O)cc(O)c3c2=O)c1CC=C(C)C 14648445 KDPJJWNKECJCIC-UHFFFAOYSA-N 384.384 3.800 10 1 GHCF biogenic CCn1c(O)c(N=NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c2ccccc21 253916644 YJBJSDQZROZADX-DOTOQJQBSA-N 376.416 3.507 10 1 GHCF O=C1c2c(O)cc3oc4cc(O)c(O)cc4c3c2O[C@@H]1Cc1ccc(O)cc1 1857638006 WBDYQZHXSMGBCY-QGZVFWFLSA-N 378.336 3.595 10 1 GHCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(O)cc(C(=O)O)c2)cc1 587925531 JFEUDDFWVVHVRB-UHFFFAOYSA-N 381.384 3.574 10 1 GHCF CN(C)CCNC(=O)c1cccc2c(N)c3cccc(-c4ccc(N)cc4)c3nc12 27723972 SATBUYQGDIDZHT-UHFFFAOYSA-N 399.498 3.511 10 1 GHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc4c(c3C)OCCO4)C2)cc1 1772623237 CEVUKOPBJOVABQ-JXFKEZNVSA-N 396.487 3.621 10 1 GHCF O=c1nc(CSC(=S)NCc2ccc(Cl)cc2)[nH]c2ccccc12 209479641 MEZHMKXUJDDARU-UHFFFAOYSA-N 375.906 3.884 10 1 GHCF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264873 UVZHRRFHIRACGG-DQYPLSBCSA-N 394.431 3.598 10 1 GHCF CCn1c(O)c(N=NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 253989102 UAQYDLPMVMBLFE-ZHAYFASWSA-N 376.416 3.807 10 1 GHCF COc1ccccc1C(=O)NCC(=O)/N=N\c1c(O)n(C(C)C)c2ccccc12 18154326 OMGVPHFJNHJKAD-VHXPQNKSSA-N 394.431 3.977 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2O)OCO3)N1 587836431 USKBDSDYIBCMQB-CQLKUDPESA-N 380.213 3.646 10 1 GHCF O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1cccs1 28764801 IZACKRRNGYTDPK-UHFFFAOYSA-N 385.533 3.898 10 1 GHCF CCN(CC)CCN(C)c1ccc(CNC)c2sc3ccccc3c(=O)c12 101468193 NSXDAMSWSBASNH-UHFFFAOYSA-N 383.561 3.912 10 1 GHCF C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)c1ccc2c(c1)OCCO2 1911572039 OAQWMUWORUNJHK-GFCCVEGCSA-N 391.265 3.684 10 1 GHCF CC1=NN(S(=O)(=O)c2ccccc2)[C@H](c2cc(Br)ccc2O)C1 653733656 AEQBIIOFENRPCY-HNNXBMFYSA-N 395.278 3.666 10 1 GHCF CC[C@]1(c2c(O)cc(O)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587822162 LPAMVQLSUJFHGF-YYSFKGJASA-N 396.256 3.893 10 1 GHCF Cc1csc2nc([C@H](C)NC(=O)/C=C/c3ccc(N(C)C)cc3)oc(=O)c12 3584943 ACUHSEBYDADXGR-RSPDNQDQSA-N 383.473 3.515 10 1 GHCF CN1c2ccccc2[C@]2(C)C3=C(c4c([nH]c5ccccc45)[C@@H]12)[C@](C)(O)N(C)C3=O 2356796244 MZXDXBLPJOYQGR-JRFVFWCSSA-N 385.467 3.564 10 1 GHCF CO[C@@H]1CCCC[C@H]1Nc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 1772576518 DHGLGPFQWGPHJR-GDBMZVCRSA-N 393.468 3.836 10 1 GHCF CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(C(C)(C)C)cc2)cc1 1857609976 QAZAHAFWQXJCDN-FCHUYYIVSA-N 379.548 3.670 10 1 GHCF O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2cccc(Cl)c2Cl)CC1 299838165 LSLXPTHAVAYSHM-FNORWQNLSA-N 393.270 3.767 10 1 GHCF COc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587806573 KCDBORJZVZSSID-DYBLOJMWSA-N 396.256 3.935 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c2ccc(O)c3O)N1 587835852 YOKNKMZHDRFMAS-YYSFKGJASA-N 378.241 3.723 10 1 GHCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 45259562 OUHPYJHCRXBVSB-HXUWFJFHSA-N 388.383 3.687 10 1 GHCF O=C(NCc1ccccn1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 103754664 RJXJNFLDPOFGSO-IIDMSEBBSA-N 389.377 3.750 10 3 GHCF COc1cccc(N2C(=O)N=C(O)/C(=C\C=C\c3ccccc3[N+](=O)[O-])C2=O)c1 33319656 JLFMQYXEFOZXJS-LVVPDBGKSA-N 393.355 3.666 10 3 GHCF C[C@]1(c2ccc(N3CCOCC3)c(N)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963109136 UMIGNLGTSXKUOE-CVDCTZTESA-N 381.495 3.529 10 1 GHCF Nc1ccc(CCN2C(=O)c3ccccc3[C@]2(O)c2ccc(Cl)cc2)cc1 66124323 TXYQCSRWSKEAES-JOCHJYFZSA-N 378.859 3.814 10 1 GHCF CC(=O)N1c2cc([N+](=O)[O-])ccc2[C@@H]2[C@@H](C[C@@H](N=[N+]=[N-])[C@@H]2O)[C@H]1c1ccccc1 1857646314 RIDAREUVXDQATJ-BDUQCRIQSA-N 393.403 3.846 10 1 GHCF O=c1cc(-c2ccc(O)c(O)c2)oc2c(Cc3ccc(O)cc3)c(O)cc(O)c12 14811104 YEOLOLPNMHBGGS-UHFFFAOYSA-N 392.363 3.579 10 1 GHCF biogenic CC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1C(=O)C(=O)[C@@H]1NCCC(C)(C)C 28474416 FZQOPLSSCRAOQW-BZUAXINKSA-N 383.410 3.540 10 1 GHCF CC(=O)Nc1cccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587242889 XBMVBYCKTMYNGV-UHFFFAOYSA-N 395.418 3.888 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc([N+](=O)[O-])c2O)N1 587743869 FSBGQEWMKLZBOZ-ANRSDYALSA-N 381.201 3.826 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)CCO)cc2)N1 587740265 JBOSMKJXHUWPIQ-BLVKFPJESA-N 393.300 3.640 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc3c2OCO3)N1 587833629 GYCVDRPECYFKIY-VPTHRUTESA-N 380.213 3.646 10 1 GHCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cn1 1772622858 COSHFDSAUSDAGI-KSFYIVLOSA-N 395.503 3.725 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)ccc2O)N1 587822163 LPCQFGYTXXMFKC-DYBLOJMWSA-N 394.240 3.790 10 1 GHCF COc1ccccc1-n1c(C)cc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)c1C 962901538 QTFNOAYYKOPUAN-SIKLNZKXSA-N 394.446 3.930 10 1 GHCF Cc1csc(-c2cc(-c3nccn3C)c3n(c2=O)CCCc2ccncc2-3)n1 29399801 XRIXNULAASCVLG-UHFFFAOYSA-N 389.484 3.689 10 1 GHCF Cc1cc2c(n1-c1ccc(C(=O)N3CCC4(CC3)OCCO4)cc1)CC[C@@H](C)C2 6878013 WBYKWCUFDBZGCH-QGZVFWFLSA-N 394.515 3.890 10 1 GHCF CCN(CCOC(=O)/C=C/c1ccc(O)cc1)Cc1cc(Cl)ccc1O 45320236 KOSAAJODSUOPPE-BJMVGYQFSA-N 375.852 3.830 10 1 GHCF in-vivo CCN(CC)CCOc1cc2oc3c(c2cc1Cl)C(=O)c1cccnc1C3=O 28713997 QAOJLLDMCMPLFS-UHFFFAOYSA-N 398.846 3.977 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)cc2O)N1 587821304 HHFNPGPWWIJFPE-BCTVWOGZSA-N 380.213 3.616 10 1 GHCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc4c(c3)OCCCO4)C2)cc1 1772632660 YBYBPDDSIPKOSS-HRAATJIYSA-N 396.487 3.703 10 1 GHCF CCCCNc1c2ccccc2nc2cc(C(=O)N3CCN(C)CC3)ccc12 169331369 SAXBBJCMFKVJSL-UHFFFAOYSA-N 376.504 3.988 10 1 GHCF CO[C@H]1c2c(O)c(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O 230071781 LBJNLIBZUVWVTE-NYUBLWNDSA-N 376.449 3.617 10 1 GHCF CC1=C[C@@H]2/C=C(\C)CCC(=O)C(=O)CCC(=O)[C@@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@@H]1C 238740262 BPFQGYYSWWQTFO-NTGSEARISA-N 399.531 3.573 10 1 GHCF O=C(CN1CCCCC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1O 299857159 CRNJJKJZFIHFKJ-HXUWFJFHSA-N 381.451 3.695 10 1 GHCF Cc1cccc2c(N=NC(=O)[C@@H](C)n3cnc4ccccc4c3=O)c(O)[nH]c12 254045026 CDLCTDYZIBTGGI-GFCCVEGCSA-N 375.388 3.763 10 1 GHCF O=C(CCc1cccc(NC(=O)c2ccccc2O)c1)Nc1ccc(O)c(O)c1 13535924 CSCXAVUOGXHLMT-UHFFFAOYSA-N 392.411 3.627 10 1 GHCF CNS(=O)(=O)Cc1ccc(/N=N/c2c(O)[nH]c3ccc4ncccc4c23)cc1 29483728 SRXQGIFKLBRNFR-WCWDXBQESA-N 395.444 3.886 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)cc2O)N1 587821305 HHFNPGPWWIJFPE-PWJLMRLQSA-N 380.213 3.616 10 1 GHCF CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)C[C@H]1S(=O)(=O)O 40639845 HCHJSOSREULXTE-QGZVFWFLSA-N 394.452 3.906 10 1 GHCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@]1(OC)OC3=O 85925787 MCHRWEBHSKWYBW-JZZBYWGLSA-N 390.476 3.886 10 1 GHCF in-man C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cc(O)cc2O)N1 587820794 FJMQBMNNRWDDTM-WNWIJWBNSA-N 382.229 3.503 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)c(O)cc2[N+](=O)[O-])N1 587748085 SFYMDRQMFGFECM-VGDKGRGNSA-N 397.200 3.531 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)c(O)cc2[N+](=O)[O-])N1 587746710 KKVCKVONDCNEAW-QZTNRIJFSA-N 397.200 3.531 10 1 GHCF Oc1ccc(Cl)c(Br)c1[C@@H]1NCCc2nc3ccccn3c21 962984385 CXBYXBCDVAAGOA-HNNXBMFYSA-N 378.657 3.691 10 1 GHCF CCOc1cccc(C/N=N/c2ccc(S(=O)(=O)N(CC)CC)cn2)c1O 169689481 BPGLEHWKRFKPRW-QZQOTICOSA-N 392.481 3.500 10 1 GHCF Cc1cc2c(o1)-c1c(c3ccccc3c(=O)n1CCCCCN(C)C)C(=O)C2=O 1772600108 LHESMZRJXVASBL-UHFFFAOYSA-N 392.455 3.681 10 1 GHCF CC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1C(=O)C(=O)[C@@H]1NCCC(C)(C)C 28474423 FZQOPLSSCRAOQW-OWCLPIDISA-N 383.410 3.540 10 1 GHCF Cc1nc2cc(NCc3ccc(N)cc3)ccc2n1S(=O)(=O)c1ccccc1 49808605 OVHUUBAFLYACLC-UHFFFAOYSA-N 392.484 3.776 10 1 GHCF Cc1nc2c(C(=O)N3CCCCC3)cnn2c(O)c1Cc1ccc(Cl)cc1 9597714 DJTPTERCAQFWPQ-UHFFFAOYSA-N 384.867 3.614 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(O)cc2O)N1 587747080 PCEPNIOHNVZFTF-GYKQLYQFSA-N 397.200 3.531 10 1 GHCF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)C(=O)c2ccccc2-3)cc1 13862836 KXLFQBVZRBXOLN-UHFFFAOYSA-N 377.421 3.842 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C[C@@H]3CCc4occc4C3=O)[nH]c21 586907973 PHNYCKNWVCHSFA-LBPRGKRZSA-N 396.402 3.919 10 1 GHCF COc1cc(OC)c(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587806219 JAOSLDWBFHVRIV-VVVCHXIZSA-N 396.256 3.935 10 1 GHCF CC(C)Cn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 40374023 NRMCOBVLHDZQFD-SQWYXISYSA-N 398.547 3.570 10 1 GHCF COc1ccc([C@H]2CC(c3ccccc3)=NN2/C=C2\SC(=S)NC2=O)cc1 299827613 GRPPJCRVHBXFPE-ZCWPUFOUSA-N 395.509 3.836 10 1 GHCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)C(=O)c1ccccc1)(c1ccccc1)O2 587404626 GJODQBVIUOKTRA-DEOSSOPVSA-N 385.419 3.890 10 1 GHCF COc1cc(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)cc(O)c1O 587784772 CZIATNIYFGRWTN-IHWYPQMZSA-N 396.628 3.964 10 1 GHCF Cc1cccc2c(/N=N/C(=O)[C@@H](C)n3cnc4ccccc4c3=O)c(O)[nH]c12 102864280 CDLCTDYZIBTGGI-LIPRLMJMSA-N 375.388 3.763 10 1 GHCF Cc1cccc2c3c(ccc12)-c1occ(CN2CCC(O)CC2)c1C(=O)C3=O 1772609872 GTGXDLYNCVZGAX-UHFFFAOYSA-N 375.424 3.744 10 1 GHCF CN1c2ccc(NC(=O)C3CC3)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 95555511 SMWUENDTNWCHQS-JOCHJYFZSA-N 386.455 3.663 10 1 GHCF CCSCCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(N(C)C)cc1 617964394 BDSAJKDQRUJJSB-SCDSTIRESA-N 379.551 3.682 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2O)N1 587756182 QHMFBNHOPHQECJ-MLCYQJTMSA-N 379.273 3.983 10 1 GHCF CCCCCCN1C(=O)c2ccc(OC(=O)CCc3ccc(N)cc3)cc2C1=O 53294906 COCGDHWLOAUGHQ-UHFFFAOYSA-N 394.471 3.983 10 1 GHCF Cn1nc(C(F)(F)F)cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587116681 BFCICIKOBSAWCY-UHFFFAOYSA-N 396.328 3.758 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cc(O)cc2O)N1 587823233 SUYHVSGIQVQVAJ-QPFGOUBPSA-N 382.229 3.503 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c2ccc(O)c3O)N1 587832078 JDUCZLJUJWVAHI-YYSFKGJASA-N 378.241 3.723 10 1 GHCF COC(=C\C(C)=C\[C@@H]1CCCC(O)=C1c1cc(O)c(O)cc1O)/C=C/C(=O)O 238787334 FMIWXSPMLUIMQU-GXQDTTEUSA-N 388.416 3.990 10 1 GHCF CC1=NN(C(=O)CN2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2O)C1 653729211 FLPAMCRZCYFSHD-OAQYLSRUSA-N 377.488 3.921 10 1 GHCF CO[C@@H]1c2c(O)c(C(C)C)c(O)c(O)c2[C@]23CCCC(C)(C)[C@H]2[C@@H]1OC3=O 104357030 LBJNLIBZUVWVTE-NEYJZJCJSA-N 376.449 3.617 10 1 GHCF in-man Oc1ccc([C@H]2C(c3ccccc3)=NN=C(c3ccccc3F)N2O)c(O)c1 978236 PFVLFSHQVOXKQN-FQEVSTJZSA-N 377.375 3.834 10 3 GHCF CCn1c(O)c(/N=N\C(=O)Cc2csc(N3CCOCC3)n2)c2ccccc21 6343568 IBRQLKVVCTVDTB-DQRAZIAOSA-N 399.476 3.513 10 1 GHCF CN(Cc1cccs1)NC1=NC(=O)/C(=C/c2ccc3ncccc3c2)S1 28821320 MQBGQTNSIZHBIY-BOPFTXTBSA-N 380.498 3.903 10 1 GHCF CC(C)Cn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@H](C)[C@H](C)O)CN(C)[C@H]1C2 253633753 NRMCOBVLHDZQFD-NWIYRFSSSA-N 398.547 3.570 10 1 GHCF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC 587804536 BRHSTZHPDCXKOQ-XXFAHNHDSA-N 396.256 3.935 10 1 GHCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(O)c(O)cc12 587607966 JLPDLFXTQVIEDI-SIKLNZKXSA-N 376.364 3.607 10 1 GHCF Cc1cccc2c(/N=N\C(=O)[C@@H](C)n3cnc4ccccc4c3=O)c(O)[nH]c12 13125306 CDLCTDYZIBTGGI-HRXNWPLBSA-N 375.388 3.763 10 1 GHCF CCC1(CC)C(=O)N(C(=O)c2ccc(C)cc2)N(C(=O)c2ccc(C)cc2)C1=O 1648836 OOYYZTRKMMSLOT-UHFFFAOYSA-N 392.455 3.676 10 1 GHCF O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc2ccccc2[nH]1 299838720 NMOVXTOKZNAGGH-GDNBJRDFSA-N 381.844 3.653 10 1 GHCF COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H]1CCC[C@@](C)(O3)O1 100823828 UOWSTUZKQCORDT-WHEQGISXSA-N 396.395 3.535 10 1 GHCF endogenous,in-man CC(C)Cn1cc2c3c(cccc31)[C@@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 29489138 NRMCOBVLHDZQFD-SUAXKRIOSA-N 398.547 3.570 10 1 GHCF COCCCN1CCc2ccc(OC)cc2[C@@]1(CC(C)=O)c1ccccc1O 961328754 WJJFFQLDRVYLHD-HSZRJFAPSA-N 383.488 3.518 10 1 GHCF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cccc(C(F)(F)F)c2O)N1 963222690 LNBBNZRWZJSECH-DLBZAZTESA-N 388.345 3.648 10 1 GHCF COc1ccccc1NC[C@H](O)COc1ccc2c(c1)OC1(CCCC1)CC2=O 95586285 FHUIUJXBMKELMM-INIZCTEOSA-N 397.471 3.825 10 1 GHCF CNc1cccc2c1C(=O)c1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427669 FGWUVWNKOZXRLO-CJAUYULYSA-N 397.430 3.973 10 1 GHCF COc1cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)N=C2C(C)C)ccc1O 95552239 LXLZSKMZHMDJFF-SXGWCWSVSA-N 381.388 3.751 10 1 GHCF O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCNc1c2ccccc2nc2ccccc12 253852849 NMXILYPHEODMRP-VUEDXXQZSA-N 383.451 3.607 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(O)c2O)N1 587821644 JENNTSDRYREAMC-CQLKUDPESA-N 382.229 3.503 10 1 GHCF Cc1cc([C@@]2(C)NCCc3c(C(=O)O)cccc32)c(O)cc1Br 963126692 WXKCESPILYFLKI-SFHVURJKSA-N 376.250 3.571 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(O)c2O)N1 587824196 YQRZDSBHRQFWRI-CQLKUDPESA-N 382.229 3.503 10 1 GHCF COC(=O)c1ccc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587807259 LSWWHPGRQIGUMN-XYZCENFISA-N 394.240 3.704 10 1 GHCF COc1ccc2[nH]c(CN3CCc4cc(C)ccc43)c(CCNC(C)=O)c2c1 40847415 QJLUEDMERSXIPJ-UHFFFAOYSA-N 377.488 3.726 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc3c2OCO3)N1 587833936 JALKAENNKKYBFF-PWJLMRLQSA-N 380.213 3.646 10 1 GHCF CN1CCN(c2ccc(/C=C3/SC(N(C)c4ccccc4)=NC3=O)cc2)CC1 206113582 NRKCBRJBEVWIEB-CAPFRKAQSA-N 392.528 3.545 10 1 GHCF Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc(N3CCN(C)CC3)cc2)S1 299860767 HBCBVNCVWMNFHL-HMMYKYKNSA-N 392.528 3.829 10 1 GHCF CCOC(=O)[C@@]1(C)C(/N=N\c2ccccc2OC)=C(O)C(=O)N1c1ccccc1 2324362 UYNUWBUJOFIREO-XSSWQJIQSA-N 395.415 3.917 10 1 GHCF COc1ccc2nc3cc(Cl)ccc3c(NCCN3CCN(C)CC3)c2c1 45195757 UBXLRHUHGMZYLO-UHFFFAOYSA-N 384.911 3.709 10 1 GHCF C[C@@H]1CC[C@@H]2C(=O)O[C@H](CN=[N+]=[N-])CN2[C@@H]1c1ccc(Br)cc1 64479714 AREWGIRYUHHIQN-QZKOUSHUSA-N 379.258 3.826 10 1 GHCF COc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N)cc1O 103279575 ZWOSMSLARGAJPG-QURGRASLSA-N 399.432 3.594 10 1 GHCF Oc1ccc(-c2ccnc3cc(Cl)ccc23)cc1CNCCN1CCOCC1 45318756 CKCHGJPCWYTDRB-UHFFFAOYSA-N 397.906 3.683 10 1 GHCF COc1cc2c(cc1OC)[C@@](C)(CCN=[N+]=[N-])N(C(=O)c1ccccc1N)CC2 963157467 RBNXHOVNPBHBNQ-OAQYLSRUSA-N 395.463 3.900 10 1 GHCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)nc1 1772609980 GVKSFXSFUFTJMA-KSFYIVLOSA-N 395.503 3.725 10 1 GHCF Cc1nc(-c2ccccc2)c(-c2ccc3nc(N)n(S(=O)(=O)C(C)C)c3c2)[nH]1 29131140 IQMJFDCSHJQTLD-UHFFFAOYSA-N 395.488 3.570 10 1 GHCF Oc1cc(Br)c(Cc2cc(O)c(O)cc2Br)cc1O 40420997 INVMVBVFVPXOPS-UHFFFAOYSA-N 390.027 3.625 10 1 GHCF O=c1c2cn[nH]c2c2ncc(-c3cccnc3Cl)cc2n1CC(F)(F)F 220789456 KYLMLANZPDZFLZ-UHFFFAOYSA-N 379.729 3.551 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)CCO)cc2)N1 587738651 BUJNSARFHYIHNC-BUXKBTBVSA-N 393.300 3.640 10 1 GHCF COc1ccc2nc(C)cc(Nc3ccc(C4=NNC(=O)CC4)c(O)c3)c2c1 29064287 BGOMDAKAFVQURQ-UHFFFAOYSA-N 376.416 3.615 10 1 GHCF CC(=O)OC[C@@H](C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 13383637 LEGUIGFYWUCHAY-VXQXEOLMSA-N 388.460 3.830 10 1 GHCF COc1cc(OC)c(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587804935 DMFSUQWTEDNYQR-XYZCENFISA-N 396.256 3.935 10 1 GHCF O=C1C(=Cc2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2)N1c1ccccc1 40412655 TYNYHQJCZZXWGN-UHFFFAOYSA-N 385.379 3.973 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cc(O)cc2O)N1 587820792 FJMQBMNNRWDDTM-RBHXEPJQSA-N 382.229 3.503 10 1 GHCF O=C(Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12)c1ccccc1 64447965 QTDXUYYBTJTRHA-UHFFFAOYSA-N 390.347 3.796 10 1 GHCF CNc1ccc2c(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3nc2c1 26936944 QVDLBBPMKKHUSY-UHFFFAOYSA-N 378.457 3.821 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cc(O)cc2O)N1 587823235 SUYHVSGIQVQVAJ-WNWIJWBNSA-N 382.229 3.503 10 1 GHCF COc1ccc2c(c1)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2ccccc12 28711310 OKCJDJQBTRWAIM-UHFFFAOYSA-N 385.423 3.508 10 1 GHCF COc1ccc(Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2C3=O)cc1 299824463 AWLHMENSACVHFE-UHFFFAOYSA-N 395.414 3.834 10 1 GHCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(O)nc(O)nc4[nH]3)cc2)cc1 587194811 BQWIKXXBAWPRCP-UHFFFAOYSA-N 375.392 3.913 10 1 GHCF COc1ccc2c(c1)/C(=C/c1c(-c3ccncc3)nc3sccn13)C(=O)N2C 1857600191 AFPBBZGEKPBBNP-VBKFSLOCSA-N 388.452 3.983 10 1 GHCF COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C[C@](C)(CO)O4)CC2)cc1 114334062 USMYLEIMHJBZIK-XMMPIXPASA-N 396.531 3.633 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)O)ccc2O)N1 587821279 GZQSADBSXWJFSP-ZKANADHPSA-N 380.213 3.616 10 1 GHCF O=C(CN1CCCCC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1O 299857158 CRNJJKJZFIHFKJ-FQEVSTJZSA-N 381.451 3.695 10 1 GHCF CN1c2ccccc2[C@]2(C)C3=C(c4c([nH]c5ccccc45)[C@H]12)[C@@](C)(O)N(C)C3=O 2356796245 MZXDXBLPJOYQGR-QPTUXGOLSA-N 385.467 3.564 10 1 GHCF O=C(NCc1ccccn1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 15952452 RJXJNFLDPOFGSO-DAYGRLMNSA-N 389.377 3.750 10 1 GHCF CCOC(=O)c1sc(N2N=C(C)[C@@H](/N=N\c3cccc(C)c3)C2=O)nc1C 102419422 VWWACEFJSDMIAT-JTKIUVGSSA-N 385.449 3.812 10 1 GHCF COc1cc(-n2nnc3c2C(=O)c2ccccc2C3=O)ccc1-c1ccccc1 1911572318 WNJBOGUEISJBST-UHFFFAOYSA-N 381.391 3.718 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2O)N1 587748108 SKPNUNWHSALKNN-PWJLMRLQSA-N 381.201 3.826 10 1 GHCF COc1ccc2c(c1OC)C(=O)O[C@H]2n1c(O)c(/N=N\C(C)=O)c2ccccc21 101871417 IKZQLYKHRRNJHJ-LURZSEBBSA-N 395.371 3.712 10 1 GHCF CCCCCC(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 28378257 BUJKDCHBKBKPGU-TZIWHRDSSA-N 388.416 3.677 10 1 GHCF Oc1c(Cl)cc(Cl)cc1C1=NN[C@H](c2ccc(N3CCOCC3)cc2)C1 49034655 UTCKLOSNBABJNU-KRWDZBQOSA-N 392.286 3.974 10 1 GHCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CNC(C)C)(c2ccc(O)c(O)c2)N1 962950330 MNGLHXAQJCPIKX-HJPURHCSSA-N 379.504 3.745 10 1 GHCF COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(O)c(OC)c2)cc(O)c1O 14437597 OAHJZEWASFRGKJ-QWHCGFSZSA-N 376.449 3.887 10 1 GHCF biogenic Cc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)CN(c1ccccc1)CO3 1772582232 XEKNYEVCILLMDT-UHFFFAOYSA-N 387.391 3.538 10 1 GHCF Cc1ccc2[nH]c(O)c(/N=N/C(=O)[C@@H](C)n3cnc4ccccc4c3=O)c2c1 101486199 IGHATCZBUMGPDE-LIPRLMJMSA-N 375.388 3.763 10 1 GHCF COc1cc(O)cc(O)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807336 NBPNLLSLZKZWOB-YYSFKGJASA-N 396.256 3.806 10 1 GHCF COc1c(-c2ccc(O)c(O)c2)oc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 14691672 PKBDGQRRPFRWSU-UHFFFAOYSA-N 382.368 3.770 10 1 GHCF biogenic Cc1ncc(COP(=O)(O)O)c(C/N=N/c2nc3ccccc3s2)c1O 98208120 IRSQGYHNYSBCCK-HTXNQAPBSA-N 394.349 3.599 10 1 GHCF in-vitro O=C(C(=O)c1c(CO)oc2cc(Br)cnc12)c1c[nH]c2ccccc12 587272812 CDLDQFKBIWPRJR-UHFFFAOYSA-N 399.200 3.630 10 1 GHCF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587810421 XEMQVQPHOYIUAZ-JDNHERCYSA-N 396.256 3.935 10 1 GHCF CN(C)c1ccc(/C=C2/SC(=S)N(CC(=O)c3ccccc3)C2=O)cc1 1857606975 LHVKAQUWTARPFN-LDADJPATSA-N 382.510 3.837 10 1 GHCF CC(C)(C)COC(=O)[C@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])ccc1O 1548797 LRQKSXNGAPULBF-SFHVURJKSA-N 386.448 3.591 10 1 GHCF COc1cc(O)c2c(c1Br)C(=O)N1c3ccc(C)cc3CO[C@@H]21 28951055 XTJAKHLIYORKLK-KRWDZBQOSA-N 376.206 3.661 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(O)cc2O)N1 587744969 IPVSYSQRFGBXAR-QZTNRIJFSA-N 397.200 3.531 10 1 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(F)cc(F)c3O)[nH]c21 587134016 HWXKZFVRVNFLLN-UHFFFAOYSA-N 376.318 3.989 10 1 GHCF CCN(CCN=c1[nH]c2ccccc2[nH]1)Cc1cc(Cl)cc(Cl)c1O 1857572928 VBCFAIBAWKPQBR-UHFFFAOYSA-N 379.291 3.931 10 1 GHCF COc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 45365827 LLVBWAXPWVEUSK-UHFFFAOYSA-N 382.895 3.857 10 1 GHCF in-vitro Cc1ccc(/N=N/C(=C2/NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])cc1C 103206345 DMNBILRKPDBCKP-VGMYHVDBSA-N 386.843 3.944 10 1 GHCF CC1=C(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](c2ccccc2O)NC(=O)N1 103294999 YUSBEJKHPKZOJC-MRXNPFEDSA-N 392.242 3.966 10 1 GHCF COc1cc(O)cc2c1C(=O)c1c(cc3c(c1OC)[C@@H]1CCC[C@](C)(O3)O1)C2=O 238782644 QTSKSEPNSYISBE-XMHCIUCPSA-N 396.395 3.535 10 1 GHCF CC=C(C)C(=O)O[C@@H]1C[C@@H](C(C)(C)OC)O[C@@]1(C)c1ccc(C)c(O)c1O 2356530725 QMSZDYMSZDFCPW-MRUHUIDDSA-N 378.465 3.713 10 1 GHCF CC(C)Cn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)O[C@@H](C)[C@@H](C)O)CN(C)[C@H]1C2 29489147 NRMCOBVLHDZQFD-PANSWXSWSA-N 398.547 3.570 10 1 GHCF CC(=CCc1cc(C(=O)O)cc(O)c1O)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356619467 HEKKNGJOTDHUHQ-LJQANCHMSA-N 392.492 3.923 10 1 GHCF CCCOC(=O)CCCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29556615 JJZFAAXSNGKISE-UHFFFAOYSA-N 388.552 3.860 10 1 GHCF COc1cc(/C=C/c2nc3cc(Br)c(C)nc3[nH]2)cc(O)c1O 587785303 LAIFKDJTTZVAMF-ONEGZZNKSA-N 376.210 3.619 10 1 GHCF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O 587807420 NIDHLYWZZXVSTC-WNWIJWBNSA-N 382.229 3.632 10 1 GHCF O=C1N=C(N[C@@H](CO)c2ccccc2)S/C1=C\c1ccc2ncccc2c1 28821313 CYEVBLXFLGQSPY-IZILLXMLSA-N 375.453 3.528 10 1 GHCF O=C1N=C(NC[C@@H](CO)c2ccccc2)S/C1=C\c1ccc2ncccc2c1 28821317 QEKBEGHSZUAPOY-HRVJUDJTSA-N 389.480 3.571 10 1 GHCF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1ccc(N3CCNCC3)cc12 102045855 UEHKIYSUCIQWLM-XMSQKQJNSA-N 377.488 3.667 10 1 GHCF O=C(NC1CCCCC1)N1Cc2cc(N3CCCCC3)ccc2-n2nncc2C1 72139795 ZHEFMURXBVNGGJ-UHFFFAOYSA-N 394.523 3.616 10 3 GHCF O=C(O)c1cccc(C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c1O 28087943 OQRJOAZWLPSWHB-UHFFFAOYSA-N 393.395 3.539 10 1 GHCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)C5CC5)cc34)[C@@H]21 95555940 MBJLMDSRRUKJFM-OAQYLSRUSA-N 387.439 3.630 10 1 GHCF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(O)c(O)c1 587861765 CMSIBKLPUAFXBU-UHFFFAOYSA-N 378.306 3.677 10 1 GHCF Cc1cc(-c2csc(CC(=O)N3CCOCC3)n2)c(C)n1-c1ccccc1F 7321519 ZSUNJJPVSHJTHO-UHFFFAOYSA-N 399.491 3.758 10 1 GHCF CCOC(=O)n1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 64453485 YXJIFDAMYGQWTQ-FQEVSTJZSA-N 375.428 3.793 10 1 GHCF C[n+]1c2ccccc2c(Nc2ccccc2)c2c(NS(C)(=O)=O)cccc21 100869602 FDHGUDFBEKMSPS-UHFFFAOYSA-O 378.477 3.933 10 1 GHCF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587267988 VCNRKSDKGWZPKY-LBPRGKRZSA-N 378.392 3.960 10 1 GHCF OCc1ccc(O)c([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962645091 RZTKMUKKGJLZGK-SQJMNOBHSA-N 386.495 3.721 10 1 GHCF Oc1ccc([C@@]2(c3cccnc3)c3ccc(F)cc3C[C@@H]3CCCN32)c(O)c1 963094534 CGPHDQSJQMCKMZ-FDDCHVKYSA-N 376.431 3.944 10 1 GHCF O=C1/C(=C/c2cc[n+]([O-])cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 40394849 UWSHAGMGNHSICQ-JYRVWZFOSA-N 382.388 3.745 10 1 GHCF CC(C)Cn1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)O[C@H](C)[C@@H](C)O)CN(C)[C@@H]1C2 253633756 NRMCOBVLHDZQFD-PAERJLFZSA-N 398.547 3.570 10 1 GHCF CC(=O)O[C@@H](C)c1cc2c(s1)C(=O)c1c([C@@H](C)OC(C)=O)csc1C2=O 1636041 YTSZWYKKYYULHX-SFYZADRCSA-N 392.454 3.833 10 1 GHCF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587256661 LQIYMTCUYMSHAK-MRXNPFEDSA-N 382.464 3.539 10 1 GHCF CCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1O 869272 ABJGSRDVXYFXBQ-SFHVURJKSA-N 384.819 3.938 10 1 GHCF C[C@@H]1CC[C@H]2C(=O)O[C@H](CN=[N+]=[N-])CN2[C@@H]1c1ccc(Br)cc1 64479716 AREWGIRYUHHIQN-RABLLNBGSA-N 379.258 3.826 10 1 GHCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(O)c(O)cc12 587607964 JLPDLFXTQVIEDI-KNQAVFIVSA-N 376.364 3.607 10 1 GHCF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(O)c1O 587806642 KNVJPYLRYYGLCS-VPTHRUTESA-N 382.229 3.632 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)CCO)cc2)N1 587738654 BUJNSARFHYIHNC-HXPMCKFVSA-N 393.300 3.640 10 1 GHCF CS(=O)(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 26974020 ADWYAOGTSTWZHM-UHFFFAOYSA-N 393.468 3.995 10 1 GHCF Oc1c(Br)ccc(Cl)c1[C@H]1NCCc2nc3ccccn3c21 962988515 OULNXOAAILYTRI-CQSZACIVSA-N 378.657 3.691 10 1 GHCF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC 587810419 XEMQVQPHOYIUAZ-ABKXIKBNSA-N 396.256 3.935 10 1 GHCF OCC[C@@H]1CN(Cc2c(O)ccc3ccccc23)CCN1CCc1ccccc1 22930825 HGTYCMHBEZWDJZ-JOCHJYFZSA-N 390.527 3.657 10 3 GHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(SC(=O)N3CCCC3)[nH]c21 103265442 QHRQUTNLKYGZGI-UHFFFAOYSA-N 377.425 3.646 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2O)N1 587739396 AZXZSFROUMJYKM-MLCYQJTMSA-N 379.273 3.983 10 1 GHCF Oc1cc2c(c(Cl)c1O)CN(C(=S)NCCc1ccc(Cl)cc1)C2 29123314 ZEOMFBWCXSESLR-UHFFFAOYSA-N 383.300 3.837 10 1 GHCF CCCCCCn1c(=O)oc2ccc(NCc3cc(O)ccc3O)cc2c1=O 13491731 HFXFPVNLTJVQJP-UHFFFAOYSA-N 384.432 3.558 10 1 GHCF CO[C@H]1c2c(O)c(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@@H]1OC3=O 14688364 LBJNLIBZUVWVTE-OOSNJVJTSA-N 376.449 3.617 10 1 GHCF endogenous,in-man N[C@@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C[C@H]1c1ccccc1F 587154794 HGZIUDKASJCFHC-FYSMJZIKSA-N 397.409 3.819 10 1 GHCF COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)OC(C)C)c3)N=C2C)ccc1O 95557042 FBEFSRCKZHQXQJ-ZDLGFXPLSA-N 394.427 3.772 10 1 GHCF O=C(NCCc1ccc(F)cc1)c1cc(NCc2cc(O)ccc2O)ccc1O 13491728 LNLPBDFBYNOLAV-UHFFFAOYSA-N 396.418 3.527 10 1 GHCF COc1cc(C(=O)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)cc(O)c1O 73200357 RTSZJCLJIFTCEA-UHFFFAOYSA-N 380.356 3.934 10 1 GHCF C[C@H]1CN2CCN(Cc3ccc(N(C)C)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075222 VRJGJFJISBTWFZ-DNVKUUNQSA-N 393.575 3.942 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2O)OCO3)N1 587833489 GOOGGJVBMMAXNU-LZVRBXCZSA-N 394.240 3.820 10 1 GHCF CCCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCC)ccc1C2=O 40933989 WKZCLVUWGOTILL-UHFFFAOYSA-N 378.428 3.939 10 1 GHCF in-vivo COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587435126 CWDUNGZEBFJVOS-PEFNEFTPSA-N 391.467 3.879 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc([N+](=O)[O-])c2O)N1 587745641 JZYYJVRCKNMYAI-VXJOIVPMSA-N 381.201 3.826 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)c3ccccc3C2=O)N1 587824114 ULWRGUMZWZXXPM-OVWNDWIMSA-N 388.236 3.787 10 1 GHCF CNc1ccc2cccc(O[C@@H]3CCN(c4ccc5c(c4)OCCO5)C3)c2n1 28384105 ZVNSEHVHWTXQCQ-QGZVFWFLSA-N 377.444 3.705 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(N)=O)c3[nH]1)[C@H]1CC=C[C@@H]21 587275356 CRZRCPDNNMKVEE-NQCMUKECSA-N 389.415 3.705 10 1 GHCF O=C(C[C@H]1SC(/N=N/c2c(O)[nH]c3ccccc23)=NC1=O)Nc1ccccc1 100703170 LKJSSEINCOQELN-ADPQETAKSA-N 393.428 3.984 10 1 GHCF CCCc1c(O)ccc2c1O[C@@](C)(c1[nH]c3cc(O)nc(O)c3c1C)CC2=O 587488072 XVRQQQQNKYZQFG-OAQYLSRUSA-N 382.416 3.821 10 1 GHCF CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc3ccsc3c2)cc1 1857548310 RQFXZNGFHORSEW-UXHICEINSA-N 379.529 3.587 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)CCO)cc2)N1 587740273 JBOSMKJXHUWPIQ-HXPMCKFVSA-N 393.300 3.640 10 1 GHCF CN1C[C@H](CC(=O)NC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 27726480 CISPPGBMHSIQSP-SAWYMBPVSA-N 379.548 3.977 10 1 GHCF Cc1c(C)c2c(c(CNC(=O)/C=C/c3ccc(O)c(O)c3)c1O)CCC(C)(C)O2 28567232 YIXZWIBJMZASAX-SOFGYWHQSA-N 397.471 3.853 10 1 GHCF COc1ccc(N2CCN(CC[C@@H](OC(N)=O)c3ccc(C)c(C)c3)CC2)cc1 95578377 RYQRWTSURVDGOP-JOCHJYFZSA-N 397.519 3.661 10 1 GHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(N)c(N)cc3[nH]1)[C@@H]1CC=C[C@H]21 587276034 IBOVAQAMZSEVAD-CRTZDJKQSA-N 376.420 3.770 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2O)N1 587748109 SKPNUNWHSALKNN-VPTHRUTESA-N 381.201 3.826 10 1 GHCF COc1cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587806228 JFANXAFRQQGPKB-NIVTXAMTSA-N 396.256 3.935 10 1 GHCF O=C(O)c1cccc2c1CCN[C@@H]2c1c(Br)ccc(Cl)c1O 963125268 SPBOXDGRANOIRY-AWEZNQCLSA-N 382.641 3.741 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c2ccc(O)c3O)N1 587832072 JDUCZLJUJWVAHI-DYBLOJMWSA-N 378.241 3.723 10 1 GHCF N[C@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C[C@@H]1c1ccccc1F 587154797 HGZIUDKASJCFHC-VOIUYBSRSA-N 397.409 3.819 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(O)c2O)N1 587824201 YQRZDSBHRQFWRI-WNWIJWBNSA-N 382.229 3.503 10 1 GHCF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(N(C)C)cc3)C[C@H]1C=N2 49803530 DHUDTZJAAHCSDA-KRWDZBQOSA-N 377.444 3.741 10 1 GHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc4c(c3)OCCCO4)C2)cc1 1772632661 YBYBPDDSIPKOSS-KKSFZXQISA-N 396.487 3.703 10 1 GHCF O=C(NCc1ccccn1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 15952453 RJXJNFLDPOFGSO-RLFYNMQTSA-N 389.377 3.750 10 3 GHCF CC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1C(=O)C(=O)[C@@H]1NCCC(C)(C)C 28474426 FZQOPLSSCRAOQW-HRCADAONSA-N 383.410 3.540 10 1 GHCF CN(C)c1ccc(CNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 7096644 XYYKXONKOWCVNM-UHFFFAOYSA-N 398.478 3.563 10 1 GHCF biogenic O=S(=O)(c1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1O 45370573 RUKFYWVMNDCGBQ-LJQANCHMSA-N 394.452 3.638 10 1 GHCF Nc1ccc(Oc2ccc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c3c2)cc1 587274116 SQICEBUMBSFDRA-UHFFFAOYSA-N 378.392 3.675 10 1 GHCF CN(C)Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587574868 ZJAWLMIFWSPXMQ-NFBKMPQASA-N 391.423 3.862 10 1 GHCF Cc1cc(C(=O)Nc2cccc(N3CCN(C)CC3)c2)ccc1Br 13779300 YIAGDFIUSUHRTB-UHFFFAOYSA-N 388.309 3.762 10 1 GHCF CC[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2O)NCCc2ccc(O)cc21 963354227 VKDFJOKQKYGREX-QGZVFWFLSA-N 393.237 3.568 10 1 GHCF Cc1cccc2c(/N=N/C(=O)[C@H](C)n3cnc4ccccc4c3=O)c(O)[nH]c12 102864282 CDLCTDYZIBTGGI-YRMYODQKSA-N 375.388 3.763 10 1 GHCF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)CN=[N+]=[N-])c1)[C@@H](C2)C3=O 587434425 VAOMBWFRFDXYKI-YWZLYKJASA-N 378.388 3.607 10 1 GHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)CCO)cc2)N1 587738653 BUJNSARFHYIHNC-CWTRNNRKSA-N 393.300 3.640 10 1 GHCF CCCc1c(O)ccc2c1O[C@](C)(c1[nH]c3cc(O)nc(O)c3c1C)CC2=O 587488070 XVRQQQQNKYZQFG-NRFANRHFSA-N 382.416 3.821 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)cc2O)N1 587821665 JJSPURTXYVYNPF-ZKANADHPSA-N 380.213 3.616 10 1 GHCF CN1C(=O)/C(=C/N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)SC1=S 653861085 AVIICVWMZMQLMG-UWCCDQBKSA-N 395.509 3.875 10 1 GHCF CN(C)c1ccc(CN2CCOC[C@@H]2c2ncc(-c3ccc(F)cc3F)[nH]2)cc1 2356417630 HJESDRYQJILAJC-OAQYLSRUSA-N 398.457 3.994 10 1 GHCF COC(=C\C(C)=C\[C@@H]1CCCC(c2cc(O)c(O)cc2O)=C1O)/C=C/C(=O)O 137148601 WKLFGCOQAHCWHB-GXQDTTEUSA-N 388.416 3.990 10 1 GHCF O=S(=O)(Nc1nccs1)c1ccc(NCc2cccc(Cl)c2O)cc1 103268899 VWTWLTRLLPUALI-UHFFFAOYSA-N 395.893 3.915 10 1 GHCF COc1cc([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)cc4)C[C@@H]3O2)cc(O)c1O 85596403 UGUFBLZTUREIGQ-KWLVRGKZSA-N 386.444 3.587 10 1 GHCF biogenic,in-vitro CC[C@@]1(c2cc(Br)ccc2O)N[C@H](C(=O)O)Cc2cccc(F)c21 962927086 ZBOQECHIDBVEPF-KSSFIOAISA-N 394.240 3.546 10 1 GHCF O=C(O)CN1C(=O)/C(=C/c2ncc(-c3ccc(Cl)cc3)s2)SC1=S 13678234 CRDMQLOYGDGEFJ-YHYXMXQVSA-N 396.902 3.749 10 1 GHCF COc1cccc(-c2c(O)cc3c(c2O)C(=O)c2c(O)cc(C)cc2C3=O)c1 1772612728 CTFWEVUXMQBFHR-UHFFFAOYSA-N 376.364 3.563 10 1 GHCF Nc1ccc2cccc(O[C@@H]3CCN(c4ccc5c(c4)OC(F)(F)O5)C3)c2n1 28365690 DITRAWGPPHDAHU-CQSZACIVSA-N 385.370 3.796 10 1 GHCF NC(=S)/N=N\c1c(O)[nH]c2c(Br)cc(Br)cc12 84921221 FWZLGEMXULQBBJ-PFONDFGASA-N 378.049 3.726 10 1 GHCF Cc1ccc(CN2CCN(CC(=O)/N=N\c3c(O)[nH]c4ccccc34)CC2)cc1 102663984 GMVFIALHWGAYQY-IZHYLOQSSA-N 391.475 3.610 10 1 GHCF Cc1cc(N)c(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587751374 YCMLTENJDPKNKL-MLCYQJTMSA-N 379.273 3.982 10 1 GHCF COc1cc(C(=O)c2coc3c2C(=O)C(=O)c2ccccc2-3)cc(OC)c1OC 72176633 WMXNPKPZNOMRAP-UHFFFAOYSA-N 392.363 3.582 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2O)OCO3)N1 587836432 USKBDSDYIBCMQB-QPFGOUBPSA-N 380.213 3.646 10 1 GHCF NC(=S)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2ccc(F)cc2)c1O 169312530 ODZXWVPUYOIMTC-FMQUCBEESA-N 386.368 3.810 10 1 GHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)c3ccccc3C2=O)N1 587824112 ULWRGUMZWZXXPM-DGIBIBHMSA-N 388.236 3.787 10 1 GHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C(=O)c3ccccc32)N1 587824581 XONLWQNGXWVJJR-APBUJDDRSA-N 388.236 3.522 10 1 GHCF O=C(CCCc1ccc(F)cn1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 58591006 MFWVOCJMYSCOFG-UHFFFAOYSA-N 399.249 3.846 10 1 GHCF CN1c2ccccc2[C@]2(C)C3=C(c4c([nH]c5ccccc45)[C@@H]12)[C@@](C)(O)N(C)C3=O 2356796243 MZXDXBLPJOYQGR-GMKZXUHWSA-N 385.467 3.564 10 1 GHCF CC(=O)O[C@@H]1C[C@@H](N=[N+]=[N-])[C@H](OC(=O)c2ccccc2)C2(C1)SCCS2 13558379 WPDIOEVFXOIMCE-KFWWJZLASA-N 393.490 3.793 10 1 GHCF CC(C)N(Cc1c(O)c(O)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc12)C(C)C 95561357 DZUGQKPXLVAAFM-UHFFFAOYSA-N 399.443 3.901 10 1 GHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)c(O)c([N+](=O)[O-])c2)N1 587749045 ZYBDYTOSWILCEC-ZIDLFYJRSA-N 397.200 3.531 10 1 GHCF COc1cc(/C=C/c2nc3ccc(Br)c(O)c3[nH]2)cc(O)c1O 587785325 LDAQWEQQMXBIIO-GORDUTHDSA-N 377.194 3.621 10 1 GHCF