smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@@]12CC[C@H]3c4cc(CN5CCOCC5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 17300014 FJWJRQPFLAFCSE-YGLGAKQISA-N 369.505 3.650 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cccc2O)N1 587820945 GEGGSYFTDKOUIH-BCTVWOGZSA-N 352.203 3.623 10 1 FHCF O=C(O)c1sc2c(Br)c(Br)sc2c1O 84706535 CCFHQQFXVCRZQD-UHFFFAOYSA-N 358.032 3.892 10 1 FHCF COc1ccc(N2CCN(Cc3coc(-c4ccccc4C)n3)CC2)cc1 72182692 POLIQQRMOHESSG-UHFFFAOYSA-N 363.461 3.981 10 1 FHCF CC(=O)Nc1ccc(/N=N\c2cccc(OC[C@@H](O)CNC(C)C)c2)cc1 1911581808 GOCXGVDYTPLVSS-OAFDPHIXSA-N 370.453 3.798 10 1 FHCF O=C1C[C@@H](c2cc(O)c(O)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587508904 GEVRVEDBYFTXCY-SFHVURJKSA-N 355.346 3.591 10 1 FHCF Oc1ccccc1[C@@]1(c2cnoc2)c2c(F)cccc2C[C@H]2CCCN21 963095953 DKHWNNLRSHKEKU-IERDGZPVSA-N 350.393 3.832 10 1 FHCF COc1cc2c(c(O)c1O)-c1c(cc(OC)c(OC)c1O)C[C@@H](C)[C@@H](C)C2 49110399 BUDWOCFLSWUDFT-WDEREUQCSA-N 374.433 3.867 10 1 FHCF biogenic COc1ccc(C(=O)C(=O)c2c(O)cc3c(c2OC)C=CC(C)(C)O3)cc1 13484921 HVXVGKJMSLEEOK-UHFFFAOYSA-N 368.385 3.659 10 1 FHCF biogenic COC(=O)/C=C/c1ccc(NCc2cc(Br)ccc2O)cc1 653882251 CZHCDNLHBDNKMF-RUDMXATFSA-N 362.223 3.953 10 1 FHCF CN1CCCC[C@@H]1c1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O 13383123 NHVRPSTUXVJCGJ-CQSZACIVSA-N 367.401 3.734 10 1 FHCF biogenic CCCc1c(O)ccc2c1O[C@@]1(CCN(c3ccc(OC)cc3)C1)CC2=O 587476497 PFFZIPBJWKMTJP-QFIPXVFZSA-N 367.445 3.968 10 1 FHCF O=c1cc(-c2ccccc2)oc2cc(O)c(CN3CCCCC3)c(O)c12 1772618770 YEVRPYJHBSWLDG-UHFFFAOYSA-N 351.402 3.857 10 1 FHCF COc1cc2c(c(O)c1CC=C(C)C)C(=O)c1c(O)cc(C)cc1C2=O 14815072 ALEADBNEUMOAQO-UHFFFAOYSA-N 352.386 3.699 10 1 FHCF biogenic,in-vitro CC=CC[C@@H](C)C(=O)c1c(C)cc2c(c1O)C(=O)c1c(O)cccc1C2=O 2356341159 HRFVSTUMMIQWOA-LLVKDONJSA-N 364.397 3.967 10 1 FHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc4c(c3)OCO4)[nH]c21 45388638 FHLORIZAZVWSPG-UHFFFAOYSA-N 368.348 3.734 10 1 FHCF in-vivo COc1cc(Br)cc([C@@H]2NCCc3ccc(F)c(C)c32)c1O 962370735 DTKKUCPJDSVVRW-INIZCTEOSA-N 366.230 3.846 10 1 FHCF COc1cc2c(c3cc4c(cc13)OCO4)N(C)Cc1c-2ccc2c1OCO2 238770364 BHJIZTBGYCPRJT-UHFFFAOYSA-N 363.369 3.923 10 1 FHCF O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)[C@H]1Cc1c[nH]c2ccccc12 1857582858 QIEAXBPEQUYMKS-ZDUSSCGKSA-N 374.227 3.711 10 1 FHCF CCOc1cccc(O)c1[C@@]1(C)NCCc2cc3cccc(OC)c3nc21 963054501 HKSQMQLDRITTGJ-JOCHJYFZSA-N 364.445 3.757 10 1 FHCF O=C1NC[C@H](c2ccc(N3CCCCC3)cc2)N1c1ccn2ccnc2c1 144904889 KTYFFAUQHANCLE-LJQANCHMSA-N 361.449 3.596 10 1 FHCF O=C1C2=Cc3ccccc3OCC2=NN1c1ccc(Br)cc1 103256987 ISNFMICCMFXLQQ-UHFFFAOYSA-N 355.191 3.628 10 1 FHCF CC(=O)N[C@H](C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3)C2)cc1 142226387 GOVXBLMYKAUGOI-OAHLLOKOSA-N 366.461 3.693 10 1 FHCF CSCC(C)(C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586968752 IXIUHAXZFAETAT-UHFFFAOYSA-N 350.443 3.979 10 1 FHCF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc2cccnc2c1O 963607345 JQRORFHEXSFLOA-FKIZINRSSA-N 350.418 3.581 10 1 FHCF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cc([N+](=O)[O-])ccc1O 962374314 PDPLYDNOEWOAME-LJQANCHMSA-N 369.446 3.848 10 1 FHCF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(C(F)(F)F)c1 1772642818 LFVPWBXLTWPZNO-FNORWQNLSA-N 352.308 3.916 10 1 FHCF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1cccc(O)c1O)O2 1857766825 NVXDPMZTGKIVRF-INIZCTEOSA-N 356.374 3.724 10 1 FHCF C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccc(N2CCCCC2)cc1 27564070 JCRRZXCTLDDUIQ-MRXNPFEDSA-N 366.461 3.795 10 1 FHCF CC(C)(C)c1cccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 586947995 JAHWRFQGUZDILI-UHFFFAOYSA-N 359.451 3.605 10 1 FHCF COC(=O)c1cc([C@H]2NCCc3c2sc(C)c3C)ccc1N1CCCC1 963032966 VVBXQYJHOICCAN-LJQANCHMSA-N 370.518 3.987 10 1 FHCF COc1ccc(C2=CC(=Cc3cccc(OC)c3OC)C(=O)O2)cc1OC 1857621631 WXMMHTVWSWDRGX-UHFFFAOYSA-N 368.385 3.702 10 1 FHCF CC(C)=CCc1cc([C@@H]2CC(=O)[C@@H]3C(O)=CC(O)=C[C@@H]3O2)cc(O)c1O 238745190 FAJUNBRFOLDTLS-FHWLQOOXSA-N 358.390 3.519 10 1 FHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(O)c3[nH]1)[C@H]1CC=C[C@H]21 587275544 DRAZIYQFPRBXCL-MKBNYLNASA-N 363.377 3.707 10 1 FHCF COc1cccc(-n2nc(C)c3c(/N=N/Cc4ccncc4)ncnc32)c1 169685281 PYKKHXOLYPQKAT-WCWDXBQESA-N 359.393 3.811 10 1 FHCF COc1ccc(N2CCN(CC[C@H]3OCCc4ccccc43)CC2)cc1 3812551 IAUNACXRZSWWJT-JOCHJYFZSA-N 352.478 3.521 10 1 FHCF COc1ccc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587805782 GBADGXIEFIBTAX-VVVCHXIZSA-N 366.230 3.926 10 1 FHCF COc1cccc(O)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587807328 MZTRVJPCGSMLKY-XYZCENFISA-N 366.230 3.926 10 1 FHCF Cc1cc(O)cc(O)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587823913 XECOCCKTBQZOFP-HUTHGQBESA-N 366.230 3.931 10 1 FHCF COc1cc(OC)c(C(=O)c2cccc(F)c2)c(O)c1CN1CCCCC1 49071405 AYYZBQFQHSBUDN-UHFFFAOYSA-N 373.424 3.765 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(O)c2)N1 587823923 XGJJVHLBNKZIOD-VPTHRUTESA-N 352.203 3.623 10 1 FHCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(O)c1 587611757 UBDQLANUAIGIEU-XLIONFOSSA-N 350.326 3.506 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N)c2O)N1 587746961 JVWLFQSLEAJYPE-XLFHBGCDSA-N 365.246 3.674 10 1 FHCF O=C(Cn1ccnc1/N=N/c1ccc(C(F)(F)F)cc1)N1CCCC1 1772650920 LHONFQDJZOPTGR-QURGRASLSA-N 351.332 3.940 10 1 FHCF O=C(O)c1cccc2c1N[C@@H](c1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4124103 GQCJWYDFODGKMZ-PRXAMGSTSA-N 352.346 3.825 10 1 FHCF CC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OC4CC4)cc3)C2)cc1 149626530 HPBXSFCQNLSDEZ-MRXNPFEDSA-N 364.489 3.899 10 1 FHCF Cc1ccc(NCC(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 101646399 GVMHPCPIXHITNH-QZQOTICOSA-N 353.338 3.813 10 1 FHCF CCN(CC)c1cc(C)cc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 28822428 KLBPVYAMTJCVSW-UHFFFAOYSA-N 355.390 3.731 10 1 FHCF COc1cc(C(=O)C(=O)c2ccc3ccccc3c2)cc(OC)c1OC 29047392 PDSNSFKAXVSMPP-UHFFFAOYSA-N 350.370 3.931 10 1 FHCF COc1cc(/C=C\c2nc3ccc(Br)cc3[nH]2)cc(O)c1O 587786517 VATDNEUIVFACTM-DJWKRKHSSA-N 361.195 3.916 10 1 FHCF CC(=O)Nc1ccc(/N=N\c2ccccc2OC[C@@H](O)CNC(C)C)cc1 1911584044 RQBHBLJWXRRJKV-XZSMOWGESA-N 370.453 3.798 10 1 FHCF COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587807814 NQQSQLOIATYCAU-ABKXIKBNSA-N 366.230 3.926 10 1 FHCF CNC(=O)c1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1 169343485 VEYADCRAHZTDAX-UHFFFAOYSA-N 365.385 3.892 10 1 FHCF COC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1 169313076 QFUOKYZEWZZDLW-UZKOGDIHSA-N 374.484 3.823 10 1 FHCF Cc1cccc(-n2nc3c4c(ccc3c2O)C(=O)c2ccccc2C4=O)c1 8686789 WPZXWOYUXOWULI-UHFFFAOYSA-N 354.365 3.815 10 1 FHCF aggregator COc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1 1772602911 XFKBULSWYHSGCD-OAQYLSRUSA-N 373.412 3.787 10 1 FHCF O=C1NC(=S)S[C@@H]1Cc1cc(Cl)ccc1OCc1ccccc1 28390943 ZOVUUKBVWMYJPW-OAHLLOKOSA-N 363.891 3.978 10 1 FHCF CO[C@@H](c1cc2c([nH]1)C(=O)c1cc([C@H](OC)C(C)C)[nH]c1C2=O)C(C)C 2356721638 KPBCXPMTKRBLKG-WOJBJXKFSA-N 358.438 3.805 10 1 FHCF O=C1c2ccccc2C(=O)c2c1ccc1c(O)n(Cc3ccccc3)nc21 100704126 CDTNHXSJTVGHRY-UHFFFAOYSA-N 354.365 3.566 10 1 FHCF COc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 1772627052 BVYGNBQIAXSZOK-YCRPNKLZSA-N 354.450 3.550 10 1 FHCF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccccc2O)N1 963170888 AVIAAXPZFKMYSO-DZGCQCFKSA-N 371.742 3.753 10 1 FHCF C[C@H]1Oc2ccc(Br)cc2C=C1/C=C1\SC(=S)NC1=O 95595241 ZCYKABAKRJJWDJ-WCLCAVJRSA-N 368.277 3.645 10 1 FHCF C[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277181 QEUWGLINOOKZSW-NSHDSACASA-N 364.365 3.651 10 1 FHCF C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccc(N2CCCCC2)cc1 27564073 JCRRZXCTLDDUIQ-INIZCTEOSA-N 366.461 3.795 10 1 FHCF O=C(CCNCc1cc(Cl)c2cccnc2c1O)Nc1ccccc1 1857578325 QNRGVIJIAIVIHJ-UHFFFAOYSA-N 355.825 3.712 10 1 FHCF COc1cc(-n2ccnc2-c2ccc(N(C)C)cc2)cc(OC)c1OC 13473120 CSHQIZPZRMFTEL-UHFFFAOYSA-N 353.422 3.631 10 1 FHCF CCCn1c2c(c3ccc(OC)cc31)CCn1c-2nc2ccccc2c1=O 1911576782 LJHQDWWGUFRESW-UHFFFAOYSA-N 359.429 3.993 10 1 FHCF COc1c(CC=C(C)C)cc([C@@H]2COc3cc(O)ccc3C2=O)c(O)c1O 14762846 OHMBRCKLOAPNCF-INIZCTEOSA-N 370.401 3.680 10 1 FHCF biogenic Cc1cccc(OCC(=O)/N=N\c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c1 102532109 QHQAUDPJHMOSMR-VXPUYCOJSA-N 354.322 3.779 10 1 FHCF O=C(NCCc1ccccc1)c1cccc(NCc2cc(O)ccc2O)c1 12352699 XNBFGZOMMRVZHI-UHFFFAOYSA-N 362.429 3.682 10 1 FHCF NS(=O)(=O)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5162772 QPLRHBSMCAJLGG-UHFFFAOYSA-N 363.442 3.920 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C=O)c2O)N1 587834556 SEMKQIHUDIBRSQ-FVMDXXJSSA-N 364.214 3.730 10 1 FHCF CCOc1ccc([C@]2(c3ccccc3)NCCc3ccc(O)cc32)c(O)c1 963340161 FRCJCNCCRVMSKE-QHCPKHFHSA-N 361.441 3.934 10 1 FHCF COc1cc(/C=C/c2ccc3ccccc3[n+]2C)ccc1N1CCN(C)CC1 1772627742 VHCLPJJSLILRLH-UHFFFAOYSA-N 374.508 3.595 10 1 FHCF CN1CCCC[C@H]1c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 69482082 NYHSNZHJNMYKDB-YOEHRIQHSA-N 369.417 3.667 10 1 FHCF biogenic,in-vitro O=C(O)c1cccc2c1N[C@@H](c1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 169313241 GQCJWYDFODGKMZ-PEBVRCNWSA-N 352.346 3.825 10 1 FHCF Oc1ccc(C/N=N/c2ncnc3c2ncn3Cc2ccccc2)cc1O 169689802 LAOCNKRXIGYLNV-WCWDXBQESA-N 360.377 3.570 10 1 FHCF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587453498 ZBIBOXRCWJOSMJ-GAJHUEQPSA-N 374.392 3.798 10 1 FHCF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccccc2O)N1 963170897 AVIAAXPZFKMYSO-ZFWWWQNUSA-N 371.742 3.753 10 1 FHCF CCCNc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12 29248446 KAKQJMUUCPMGLJ-UHFFFAOYSA-N 350.466 3.501 10 1 FHCF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1ccccn1 28641237 MAPPUHIILDVIJC-UHFFFAOYSA-N 352.393 3.851 10 1 FHCF Cc1ccccc1[C@@H]1CN(C)CCc2c1cc(O)c(O)c2Br 87723291 ZKZLBHXLUDHZTB-HNNXBMFYSA-N 362.267 3.789 10 1 FHCF CON/C=C\[C@@]1(c2ccccc2O)NCCc2c(Cl)cc(Cl)cc21 963102525 FMZMNCUNWVGAKT-CNRGFGOASA-N 365.260 3.753 10 1 FHCF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc2cccnc2c1O 963607348 JQRORFHEXSFLOA-MPBGBICISA-N 350.418 3.581 10 1 FHCF CC(C)=C[C@H]1Oc2cc(O)c(O)cc2-c2oc3cc(O)cc(O)c3c(=O)c21 13414916 FHPPAZXTEIAPBK-OAHLLOKOSA-N 368.341 3.682 10 1 FHCF O=C(NCc1ccccn1)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 103754576 FYSQIMKFDDFFLD-IIDMSEBBSA-N 373.378 3.871 10 3 FHCF CC=C1CN2[C@H]3C[C@H]1[C@H](COC(C)=O)[C@H]2Cc1c3n(C)c2ccccc12 2356651663 VUGQJDAMPXXRFW-PLWAMTLXSA-N 350.462 3.605 10 1 FHCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1n[nH]c2c1CCC2 617960116 UHENVAMFPQZUDH-UHFFFAOYSA-N 374.198 3.772 10 1 FHCF O=C1NC(=S)S[C@H]1Cc1cc(Cl)ccc1OCc1ccccc1 28390938 ZOVUUKBVWMYJPW-HNNXBMFYSA-N 363.891 3.978 10 1 FHCF CS(=O)(=O)c1ccc(Nc2c(-c3ccccn3)nc3ccccn23)cc1 40877602 VUADJFCJZNQJMF-UHFFFAOYSA-N 364.430 3.543 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2O)N1 587821077 GOCUEVCXLJDERJ-HUTHGQBESA-N 366.230 3.797 10 1 FHCF COc1cc(OC)c(-c2noc3c2C(=O)c2ccccc2C3=O)cc1Cl 84652004 BOBMXMNLRUORBC-UHFFFAOYSA-N 369.760 3.788 10 1 FHCF O=C(N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1[N+](=O)[O-] 253928476 KHDUAPDCGLRQTD-UHFFFAOYSA-N 355.266 3.614 10 1 FHCF O=c1c(O)c(-c2cccc(-c3ccc(O)c(O)c3)c2)oc2ccc(O)cc12 1857585088 IYXCNAFOTHUWNN-UHFFFAOYSA-N 362.337 3.949 10 1 FHCF COc1cc(CCC(=O)CCCCc2ccc(O)c(O)c2)cc(OC)c1O 238784541 JTFAPWIVFZNYQD-UHFFFAOYSA-N 374.433 3.735 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cccc2O)N1 587822535 PBKCKOLCXMCXHP-XYZCENFISA-N 366.230 3.797 10 1 FHCF C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\O)C(=O)OC 100583780 WKWHYFHGTWZCLM-PICGZERYSA-N 352.434 3.648 10 1 FHCF CN(CCO)c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 587192963 MTPQAFPBDFRWRH-UHFFFAOYSA-N 364.218 3.560 10 1 FHCF CC[C@@]1(c2ccc(F)cc2O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962707612 IRVBCZQSJPEJFV-MAUKXSAKSA-N 367.342 3.831 10 1 FHCF CN1c2ccc(Cl)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 95556143 AAVRQBIQRYEIEJ-SFHVURJKSA-N 353.809 3.674 10 1 FHCF COc1ccc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587805785 GBADGXIEFIBTAX-XLFHBGCDSA-N 366.230 3.926 10 1 FHCF O=C(Cc1ccc(Cl)cc1Cl)N1CCc2cc(O)c(O)cc2C1 473247241 CBVITGDNHNYZMO-UHFFFAOYSA-N 352.217 3.532 10 1 FHCF CN(CCO)c1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1 587192955 MLTUMEMKIJYWCT-UHFFFAOYSA-N 353.319 3.816 10 1 FHCF Cc1ccc(-c2c3c(nc4nc(O)[nH]c(=O)c24)-c2ccccc2C3=O)cc1C 71318397 HRONDXLIYLEYME-UHFFFAOYSA-N 369.380 3.519 10 1 FHCF CO[C@H](c1cc2c([nH]1)C(=O)c1cc([C@H](OC)C(C)C)[nH]c1C2=O)C(C)C 2356721636 KPBCXPMTKRBLKG-BGYRXZFFSA-N 358.438 3.805 10 1 FHCF Cc1cc(O)c(C2=NN[C@H](c3ccc(N4CCOCC4)cc3)C2)cc1Cl 49089955 PRUMSSUUAMQFBT-SFHVURJKSA-N 371.868 3.629 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C=O)c2O)N1 587833101 LWFXABADEAEGFB-JDNHERCYSA-N 364.214 3.730 10 1 FHCF CC(C)[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 2934907 YSGDWOSKKNMNOF-UTKZUKDTSA-N 352.434 3.768 10 1 FHCF COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](C)[C@@H]2C)cc(O)c1O 136124371 JDTLASIBQWZXNQ-RLFDGXBXSA-N 374.433 3.789 10 1 FHCF Cn1c(/C=C2/C(=O)Nc3ccc(Br)cc32)nc2ccccc21 1772605138 JFHSLVHJAVULPN-FMIVXFBMSA-N 354.207 3.829 10 1 FHCF O=C1c2c(O)cc3oc4cc(O)c(O)cc4c3c2O[C@H]1Cc1ccccc1 1857637133 RRNKAEHCSHDIFX-KRWDZBQOSA-N 362.337 3.889 10 1 FHCF CC(C)CCc1c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c2c1=O 13373822 SHVBBRIPECWRKL-UHFFFAOYSA-N 372.373 3.577 10 1 FHCF biogenic C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C/O)C(=O)OC 100583785 WKWHYFHGTWZCLM-KGZWXYIYSA-N 352.434 3.648 10 1 FHCF CCOC(=O)[C@]1(C)C(N=Nc2ccccc2)=C(O)C(=O)N1c1ccccc1 253960942 FELVFPOIGITSMT-FQEVSTJZSA-N 365.389 3.909 10 1 FHCF O=C1/C(=C/c2ccccc2)SC(=S)N1Cc1nc2ccccc2[nH]1 103176466 XIWFXDOIYWIJGY-GDNBJRDFSA-N 351.456 3.964 10 1 FHCF O=C(CN1CCCCC1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 299870159 VXYHYCDUSKWNIC-HXUWFJFHSA-N 363.461 3.556 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2O)N1 587822343 NDPFFIIQSDDTGH-XYZCENFISA-N 366.230 3.797 10 1 FHCF CCCOc1cccc2c1C(=O)c1c(OCCC)cc(C(=O)O)cc1C2=O 3810504 HYRNHCHNGNFUNR-UHFFFAOYSA-N 368.385 3.738 10 1 FHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCCCCC3)[nH]c21 95589361 KBQSTMPLNIPIMN-UHFFFAOYSA-N 359.429 3.714 10 1 FHCF Cc1ccc(NCC(=O)N=Nc2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 253994944 GVMHPCPIXHITNH-UHFFFAOYSA-N 353.338 3.813 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2O)N1 587822340 NDPFFIIQSDDTGH-HUTHGQBESA-N 366.230 3.797 10 1 FHCF CC[C@]1(c2c(O)cccc2F)NCCc2cc3cccc(OC)c3nc21 963060818 XDFRDPWITZSJGP-OAQYLSRUSA-N 352.409 3.887 10 1 FHCF COc1ccc2c(c1)[C@](C)(c1ccc(O)c([N+](=O)[O-])c1O)N(C(C)C)CC2 962085825 BKTVWVSRNIFFJO-FQEVSTJZSA-N 372.421 3.545 10 1 FHCF COc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 1772649177 YSZLQXKCVOBWBY-IFXJQAMLSA-N 372.440 3.689 10 1 FHCF CC(C)=CC[C@@]12O[C@]1(C(=O)OC1CCCCC1)C(=O)c1ccccc1C2=O 85592767 FLHGDWCPJAQANJ-VXKWHMMOSA-N 368.429 3.806 10 1 FHCF biogenic,in-vitro CC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3C2)cc(O)c1O 2356542001 JZFBLPMZJMREKB-CQSZACIVSA-N 354.402 3.930 10 1 FHCF CC(C)[C@H]1c2cc(O)c(O)cc2CCN1C(=S)NCCc1ccccc1 1857584121 JTUZLKKDZPLFAI-FQEVSTJZSA-N 370.518 3.770 10 1 FHCF Cc1csc(NC(=O)C(=O)c2cc(C)n(-c3ccccc3F)c2C)n1 6780906 PQWQKROUCTZWQQ-UHFFFAOYSA-N 357.410 3.820 10 1 FHCF CN1[C@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1cccc(O)c1O 2356330733 UUCZXFFJDVBFML-XGHQBKJUSA-N 369.461 3.647 10 1 FHCF COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)cc(O)c1O)[C@@H](C2)C3=O 587450668 OBJUTJGNMNFKKT-RBZFPXEDSA-N 354.402 3.893 10 1 FHCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(F)cc1 73291768 OWOWJUCEEAKXDZ-UHFFFAOYSA-N 366.392 3.708 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)cc2O)N1 587746262 LOAAEBYHDJLTCC-XLFHBGCDSA-N 365.246 3.674 10 1 FHCF CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(N(C)C)cc32)CC1 75373226 GNEMSMBDWQZUSL-LJQANCHMSA-N 353.535 3.748 10 1 FHCF CCN1c2ncc(CCc3ccc(N)cc3)cc2C(=O)N(C)c2cccnc21 5842259 FRCQVLZROSBBMT-UHFFFAOYSA-N 373.460 3.592 10 1 FHCF Cc1ccc([C@@H](C)c2ccnc3c2C(=O)c2sc([N+](=O)[O-])cc2C3=O)o1 1857749094 GAWYWOTVRDXTPP-VIFPVBQESA-N 368.370 3.880 10 1 FHCF Oc1ccccc1[C@]1(c2cnoc2)c2c(F)cccc2C[C@@H]2CCCN21 963095950 DKHWNNLRSHKEKU-HRAATJIYSA-N 350.393 3.832 10 1 FHCF COc1ccc(-c2nsc3c2C(=O)c2c(OC)cccc2C3=O)cc1 1911574126 LAQKYJPMNQDXGJ-UHFFFAOYSA-N 351.383 3.603 10 1 FHCF Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1N=Nc1ccccc1 263612234 XYRJCVNSUGQSQU-UHFFFAOYSA-N 358.379 3.548 10 1 FHCF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 14762673 KBEFFXBSHFUQLT-KRWDZBQOSA-N 356.374 3.724 10 1 FHCF biogenic,in-vitro Cc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 617960108 NZRBWZXQTQLOAO-UHFFFAOYSA-N 360.351 3.563 10 1 FHCF CN(C)c1ccc(C=CC=C[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 2356729320 XLCYSDCFEUFEDG-XMMPIXPASA-N 373.500 3.946 10 1 FHCF COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587807815 NQQSQLOIATYCAU-FVMDXXJSSA-N 366.230 3.926 10 1 FHCF Cc1ccnc2c1CCN[C@@]2(c1ccc(Cl)cc1)c1ccc(O)cc1O 963064645 BPMPSCXFKMDIMV-NRFANRHFSA-N 366.848 3.892 10 1 FHCF COc1ccc2nc3ccccc3c(NCCCN(C)C)c2c1[N+](=O)[O-] 5940541 YQAUNOAVZPAGQA-UHFFFAOYSA-N 354.410 3.668 10 1 FHCF CC=Cc1ccc(O[C@H](C)[C@H](O)c2cc(O)c(O)c(OC)c2)c(OC)c1 2356459336 INSULPXEVFMFIK-BLVKFPJESA-N 360.406 3.649 10 1 FHCF COc1ccc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587810163 SPWFIEAITWPLTE-HUTHGQBESA-N 366.230 3.926 10 1 FHCF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(C)n3C)cc2)C[C@H]2CC[C@H]1N2 100875807 TXACAODLYQXGHT-XCJLJZCSSA-N 352.478 3.788 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2O)N1 587826429 ATLRBLFVRRILAB-ANRSDYALSA-N 352.203 3.623 10 1 FHCF CCc1ccc(/C=C2\SC(N[C@@H](C(=O)O)c3ccc(C)cc3)=NC2=O)o1 28816641 BODVLWMKGZNKTR-DDITZMBXSA-N 370.430 3.536 10 1 FHCF CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)[nH]n(-c2ccc(C)cc2)c1=O 103842526 LMPRIKZFEVZQQG-CPNJWEJPSA-N 372.428 3.589 10 3 FHCF CCC[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5cc(O)c(O)cc45)C(=O)C1)[C@H]32 27901492 FMPYLSPQCFPHNG-UDCBZVEGSA-N 354.450 3.650 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cccc2O)N1 587823541 UVBSKTLPZYPZHJ-VVVCHXIZSA-N 366.230 3.797 10 1 FHCF O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(O)cc1)C(=O)O 13782273 BLWKWOVOFWHFLD-FQEVSTJZSA-N 361.397 3.731 10 1 FHCF CC=C1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@H]1C(=CO)C(=O)OC 2356507514 WKWHYFHGTWZCLM-VQIMIIECSA-N 352.434 3.648 10 1 FHCF CC(=O)N[C@H](c1ccco1)c1cc(Br)c2cccnc2c1O 38142063 NWMYCGQBLDZOTE-AWEZNQCLSA-N 361.195 3.521 10 1 FHCF C[C@@]1(c2ccc(N3CCCCC3)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962902013 VCKVDBRQKFGGBW-UGKGYDQZSA-N 368.452 3.678 10 1 FHCF O=C1c2ccsc2C(=O)c2c(-c3cccc(Br)c3)noc21 1857554110 HDPXRCYAFJLREP-UHFFFAOYSA-N 360.188 3.941 10 1 FHCF O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2ccccc2)cc1 1911577473 QZBCJMJXGOHGOO-UHFFFAOYSA-N 351.365 3.710 10 1 FHCF CCCCC(=O)Oc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 64447341 HQRKKPXEQUFHKU-UHFFFAOYSA-N 370.357 3.672 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2O)N1 587823038 SEKWMFUIBPNYST-VVVCHXIZSA-N 366.230 3.797 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)ccc2O)N1 587822389 NTQAUEHGUARKRX-VVVCHXIZSA-N 364.214 3.730 10 1 FHCF O=c1cc(-c2ccccc2)oc2c(CN3CCCCC3)c(O)c(O)c(O)c12 40917718 MZFADCHUKSAIRI-UHFFFAOYSA-N 367.401 3.563 10 1 FHCF O=C1CCC[C@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 586884363 HMKORARBSXEPJR-LBPRGKRZSA-N 358.397 3.955 10 1 FHCF CN1c2ccc(NC(=O)Nc3ccc(N)cc3)cc2C(C)(C)C(=O)C1(C)C 1911580117 HWHFDCMBWGYDCE-UHFFFAOYSA-N 366.465 3.988 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(O)c2)N1 587823338 UHEPXULAWBWCEK-VVVCHXIZSA-N 366.230 3.797 10 1 FHCF CC(C)=CCOc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2=O 1772593580 TUOWGJZKZXLIJT-SFHVURJKSA-N 356.374 3.855 10 1 FHCF COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H](C)[C@H]2C)cc(O)c1O 14435124 JDTLASIBQWZXNQ-WVQJBOLRSA-N 374.433 3.789 10 1 FHCF biogenic COc1cc(/C=C/c2nc3cc(C(F)(F)F)cnc3[nH]2)cc(O)c1O 587785859 OZZJSTPCAAKTRH-NSCUHMNNSA-N 351.284 3.567 10 1 FHCF COc1c(C(=O)O)c(O)c(/N=N/c2ccc(O)c(C(=O)O)c2)c2occc12 64516522 MXGPNHKVPDVPKI-VHEBQXMUSA-N 372.289 3.664 10 1 FHCF CCOc1ccc([C@@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c(O)c1 962635653 MCZKYHYAZWGFBE-PEBXRYMYSA-N 371.477 3.948 10 1 FHCF O=C1NN(c2ccccc2)C(=O)C1=C1SC=C(c2ccccc2)S1 2356309740 JZNSAHROENKUQZ-UHFFFAOYSA-N 352.440 3.755 10 1 FHCF Cc1cc(C/N=N/c2ncnc(N)c2[N+](=O)[O-])c(C)n1-c1ccccc1 169689165 YUFDXQNZLMSOIU-QURGRASLSA-N 351.370 3.658 10 1 FHCF CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)C2 101707069 AAMHKUSHZPJSMY-KWJJZWPZSA-N 361.394 3.777 10 1 FHCF CCOC(=O)c1c(C)[nH]c(/N=N\c2cc(C(=O)O)cc(C(=O)O)c2)c1C 102386056 VAQXTCJUNSCZIN-VXPUYCOJSA-N 359.338 3.620 10 1 FHCF Cc1c(C=O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 96928414 VTUBEKVHUQCUPE-UHFFFAOYSA-N 357.406 3.808 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)ccc2O)N1 587821764 JXGZWGFISSKVOV-HUTHGQBESA-N 364.214 3.730 10 1 FHCF COc1ccc(C(=O)c2coc3c2C(=O)C(=O)c2ccccc2-3)cc1OC 72176700 UJSFOZVTUKNPKZ-UHFFFAOYSA-N 362.337 3.574 10 1 FHCF COc1ccc2nc3ccccc3c(NC(=S)NC[C@H]3CCCO3)c2c1 45288773 ANPQLYUXOSQJNX-CQSZACIVSA-N 367.474 3.862 10 1 FHCF CCCCCc1c(C)c(O)nc2c1C(=O)c1c(CCC)cc(O)nc1C2=O 2356643735 DHUPSYOJFKLAAA-UHFFFAOYSA-N 368.433 3.657 10 1 FHCF Cc1c(O)cc(O)c([C@H]2c3ccsc3CCN2Cc2cccnc2)c1O 962996323 PFOLWCUZDABGDU-LJQANCHMSA-N 368.458 3.716 10 1 FHCF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(O)cc(C(=O)O)c2)s1 587926256 MHOLXCQRUDTRAV-UHFFFAOYSA-N 371.414 3.935 10 1 FHCF COc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 1772627051 BVYGNBQIAXSZOK-BTYIYWSLSA-N 354.450 3.550 10 1 FHCF CC(=O)Nc1ccc(/N=N/c2cccc(OC[C@@H](O)CNC(C)C)c2)cc1 1911570587 GOCXGVDYTPLVSS-SMIQVMJNSA-N 370.453 3.798 10 1 FHCF CC(=O)c1ccc(Nc2nc([C@@H](N)Cc3ccc(N)cc3)cs2)cc1 61904306 OZWOBLQEJIQFDY-KRWDZBQOSA-N 352.463 3.914 10 3 FHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(N)ccnc3[nH]1)[C@H]1CC=C[C@H]21 587276048 ILJDYUKDYXHJRZ-MKBNYLNASA-N 362.393 3.583 10 1 FHCF COC(=O)c1ccc(Cn2c(O)c(/N=N/C(=N)S)c3ccccc32)o1 101740976 HEUOJDPWPMGZFR-VHEBQXMUSA-N 358.379 3.723 10 1 FHCF COc1cc(/C=C\c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(O)c1O 587784574 AVXXUGATPBQCHY-IHWYPQMZSA-N 352.177 3.855 10 1 FHCF COc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3ccccc3O)C2)cc1OC 4729389 VFMYTZIUNYXPKQ-LAUBAEHRSA-N 354.450 3.915 10 1 FHCF Cc1cccc(COc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)c1 72176437 TWVJPLSWKGBILN-UHFFFAOYSA-N 364.353 3.950 10 1 FHCF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(O)c1O)C[C@H](C)[C@H](C)C2 238768397 QQVWVILUXJOLFZ-WDEREUQCSA-N 374.433 3.867 10 1 FHCF O=C(Nc1nnc(-c2ccc(O)c(O)c2)s1)C12CC3CC(CC(C3)C1)C2 1772606479 JNAYTFYLAHLRJL-UHFFFAOYSA-N 371.462 3.771 10 1 FHCF C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@@]1(C)c1cccc(C(N)=O)c1 13587986 TXUBXEVHUHDDRV-GAJHUEQPSA-N 365.521 3.651 10 1 FHCF COc1cc2c(c(O)c1/C=C\C(C)C)C(=O)c1c(O)cc(C)cc1C2=O 195793149 FMUNWYQUOSZHBF-WAYWQWQTSA-N 352.386 3.859 10 1 FHCF Cc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1Br 587193226 VHZKUWZUDAZIJY-UHFFFAOYSA-N 360.255 3.729 10 1 FHCF COc1ccc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)c(O)c1O 963117268 DBILIUQMKIBTDW-KRWDZBQOSA-N 354.233 3.822 10 1 FHCF COc1cc(/C=C/c2ccc3ccccc3[n+]2C)ccc1N1CCOCC1 299844734 WQRBOFIVDUAUAR-UHFFFAOYSA-N 361.465 3.680 10 1 FHCF Cc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587822048 LEPAKFYIEQBGTG-XLFHBGCDSA-N 366.230 3.931 10 1 FHCF COc1cc2c(c(O)c1COCCC(C)C)C(=O)c1ccccc1C2=O 1772572979 IZTBVLWVYHDBIP-UHFFFAOYSA-N 354.402 3.739 10 1 FHCF NC(=O)/N=N\c1c(O)[nH]c2c(Br)cc(Br)cc12 13126069 NGCWNYFZJSMJDC-PFONDFGASA-N 361.981 3.561 10 1 FHCF COc1ccc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587805788 GBADGXIEFIBTAX-XYZCENFISA-N 366.230 3.926 10 1 FHCF CN(CCO)c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 587192978 NNJHXJPOSKUHEW-UHFFFAOYSA-N 351.328 3.557 10 1 FHCF COc1ccc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587805779 GBADGXIEFIBTAX-HUTHGQBESA-N 366.230 3.926 10 1 FHCF CC[C@]1(c2cccc(F)c2O)NCCc2cnc3c(OC)cccc3c21 963030801 FCRWQHFOVBHPCB-OAQYLSRUSA-N 352.409 3.887 10 1 FHCF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1C(=CO)C(=O)OC 2356507506 WKWHYFHGTWZCLM-APWZRJJASA-N 352.434 3.648 10 1 FHCF COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)C2=O)ccc1N1CCCC1 957747927 CYUSSNBHROZHCG-QFIPXVFZSA-N 365.429 3.798 10 1 FHCF O=C1c2c(O)cc3oc4cc(O)c(O)cc4c3c2O[C@@H]1Cc1ccccc1 1857637134 RRNKAEHCSHDIFX-QGZVFWFLSA-N 362.337 3.889 10 1 FHCF O=C(c1ccccc1)c1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1 40567184 OLFRQCNEORKXAT-HXUWFJFHSA-N 359.425 3.758 10 1 FHCF CCc1ccc(CNc2ccc3c(c2)ncn3-c2cnc(OC)nc2)cc1 95581350 DDYZQEQJMZIVFS-UHFFFAOYSA-N 359.433 3.999 10 1 FHCF Cc1ccc(O)c([C@@]2(c3ccccc3)NCCc3c(C(=O)O)cccc32)c1 963132710 CCIVWGQLSVBAKQ-QHCPKHFHSA-N 359.425 3.836 10 1 FHCF CCn1c(O)c(/N=N\C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 6343570 PPVHKMIJHFIHND-MRCUWXFGSA-N 365.315 3.893 10 1 FHCF COc1ccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)cc1 26568115 OKMUWMYSVFVQAW-UHFFFAOYSA-N 366.505 3.775 10 1 FHCF CC(C)CNC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169294939 XXTHSYNVJYXUIQ-DVOMOZLQSA-N 354.372 3.811 10 3 FHCF CCOC(=O)[C@@]1(C)C(/N=N\c2ccccc2)=C(O)C(=O)N1c1ccccc1 102541376 FELVFPOIGITSMT-VWKSNAFDSA-N 365.389 3.909 10 1 FHCF CCCn1c2ccccc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 29125493 PYQSFHBFZVRMSE-UHFFFAOYSA-N 370.456 3.947 10 1 FHCF CC(=O)Nc1sc(C)c(C)c1/N=N\c1ccc(S(=O)(=O)O)cc1 36060784 UWOGLBOIVXEWRS-MSUUIHNZSA-N 353.425 3.985 10 1 FHCF CN1CCN([C@H]2Cc3ccccc3Sc3ccc(N(C)C)cc32)CC1 75373227 GNEMSMBDWQZUSL-IBGZPJMESA-N 353.535 3.748 10 1 FHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(O)c3[nH]1)[C@@H]1CC=C[C@H]21 587275545 DRAZIYQFPRBXCL-OZVIIMIRSA-N 363.377 3.707 10 1 FHCF Cc1cc(O)cc(O)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587823915 XECOCCKTBQZOFP-XLFHBGCDSA-N 366.230 3.931 10 1 FHCF CCOc1ccc([C@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c(O)c1 962635649 MCZKYHYAZWGFBE-JLCFBVMHSA-N 371.477 3.948 10 1 FHCF Cc1cc(C2(c3ccc(N)c(C)c3)C(=O)c3ccccc3C2=O)ccc1N 98082474 OPOPXVSEHNXDSI-UHFFFAOYSA-N 356.425 3.833 10 1 FHCF CCn1c(O)c(N=NC(=O)CNC(=O)c2ccccc2F)c2ccccc21 254036044 WCPQCTFDHFFEGG-UHFFFAOYSA-N 368.368 3.546 10 1 FHCF O=C(O)c1ccccc1Cc1ccc2c(c1O)C(=O)c1sccc1C2=O 299833250 NWPDYNMWWQFAGL-UHFFFAOYSA-N 364.378 3.518 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cccc2O)N1 587823544 UVBSKTLPZYPZHJ-XYZCENFISA-N 366.230 3.797 10 1 FHCF Cc1cc2c(O)nc(CSC(=S)NCc3ccco3)nc2s1 1857632704 ZZXIJCRVADLHSR-UHFFFAOYSA-N 351.478 3.606 10 1 FHCF O=S(=O)(Nc1cc(F)cc(F)c1)c1cc(Cl)cc(Cl)c1O 28951301 BROIIOLLFHUOKW-UHFFFAOYSA-N 354.161 3.778 10 1 FHCF COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(O)c1O 587786974 ZABYCBWQBSTIMG-NSCUHMNNSA-N 361.741 3.715 10 1 FHCF C[C@@H]1Oc2cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c(O)c2C1(C)C 43076880 TZSQNOYZVLLQQY-VIFPVBQESA-N 354.358 3.635 10 1 FHCF biogenic COc1cccc(O)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587807325 MZTRVJPCGSMLKY-HUTHGQBESA-N 366.230 3.926 10 1 FHCF CCc1nc(N2CCN(c3ccc(OC(F)(F)F)cc3C)C[C@@H]2C)no1 103252681 CYXONBZPDHADDK-LBPRGKRZSA-N 370.375 3.554 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2O)N1 587823486 UOLXSDCRTBXMQH-VVVCHXIZSA-N 366.230 3.797 10 1 FHCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(CN3CCCCC3)c1)O2 587398402 GLGPCGLBGPQKQL-NRFANRHFSA-N 366.461 3.975 10 1 FHCF CCC(C)(C)N[C@@H]1C(=O)C(=O)[C@@H]1CNc1c(C)cc(Cl)cc1Cl 28465827 FHLIPXSUMCRDJR-RISCZKNCSA-N 357.281 3.629 10 1 FHCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)cc2)cc1 587194837 CDLVRAYODQCXFK-UHFFFAOYSA-N 374.408 3.619 10 1 FHCF CN(C)CCCSc1nc2cc3c(cc2o1)C(=O)c1ccccc1C3=O 299823039 JQCVJQWBYHYOCQ-UHFFFAOYSA-N 366.442 3.647 10 1 FHCF CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccc2nonc12 2457874 DZRZXRZXHXOJIR-UHFFFAOYSA-N 359.451 3.952 10 1 FHCF Nc1cccc(NC(=O)c2cc(Sc3nccs3)c(F)cc2N)c1 45348078 ZPARWIDTZKAAJE-UHFFFAOYSA-N 360.439 3.850 10 1 FHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(CO)ccc3F)[nH]c21 587140470 LCIZINZEKQYYIJ-UHFFFAOYSA-N 372.355 3.637 10 1 FHCF C[C@@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612465 WARZWRHBQAZXFL-RXVVDRJESA-N 364.353 3.680 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N)c2O)N1 587746959 JVWLFQSLEAJYPE-HUTHGQBESA-N 365.246 3.674 10 1 FHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCc3cccc(O)c3)[nH]c21 586895867 CEADWKINUDMHTB-UHFFFAOYSA-N 368.392 3.829 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)cc2O)N1 587746261 LOAAEBYHDJLTCC-VVVCHXIZSA-N 365.246 3.674 10 1 FHCF O=C(Nc1ccc(O)c(O)c1)c1ccc(NCc2ccccc2O)cc1 13535944 LPWGFLVNTXVCIB-UHFFFAOYSA-N 350.374 3.668 10 1 FHCF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587804319 ATYIGLOURSNQOT-VVVCHXIZSA-N 366.230 3.926 10 1 FHCF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(C)n3C)cc2)C[C@H]2CC[C@H]1N2 100875811 TXACAODLYQXGHT-ANTGDGSKSA-N 352.478 3.788 10 1 FHCF COc1cc(C[C@H](C)[C@H](C)Cc2cc(O)c(O)c(OC)c2)cc(O)c1O 14437590 OZDNCPZBUBDALE-TXEJJXNPSA-N 362.422 3.584 10 1 FHCF biogenic Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(N)ccnc3[nH]1)[C@@H]1CC=C[C@@H]21 587276047 ILJDYUKDYXHJRZ-HSMVNMDESA-N 362.393 3.583 10 1 FHCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc([N+](=O)[O-])cc(O)c2O)N1 962947045 MTYPEADQIAJMLL-MGNBDDOMSA-N 353.378 3.501 10 1 FHCF CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=S)C[C@H]1[C@@H]2C(=O)OC 1772644397 PFYDBTCFTDSLFJ-HBMYEMETSA-N 370.518 3.578 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2O)N1 587821638 JDYCTRQUABLUBR-PWJLMRLQSA-N 352.203 3.623 10 1 FHCF O=c1c2cn[nH]c2c2ccc(-c3cccnc3F)cc2n1CC(F)(F)F 205100928 ICPBDGZJSLAYIT-UHFFFAOYSA-N 362.286 3.641 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cccc2O)N1 587823597 VHKNBYOBPRLWQN-ZKANADHPSA-N 352.203 3.623 10 1 FHCF CC1(C)C=Cc2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 13373998 QNSVTPUDNHNRQZ-UHFFFAOYSA-N 352.342 3.761 10 1 FHCF biogenic,in-vitro Nc1ccc(Oc2ccc3nc([C@H](N)Cc4cscn4)[nH]c3c2)cc1 587029270 MOKUZIVJSNTMCQ-OAHLLOKOSA-N 351.435 3.636 10 1 FHCF O=C(Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1ccc(O)c(O)c1 73199344 ARAKJWHPSQUNQG-UHFFFAOYSA-N 350.330 3.925 10 1 FHCF CCOC(=O)c1cc(C)n(-c2cccc(Br)c2[N+](=O)[O-])c1C 587935495 BCBLCOJKZGXXKY-UHFFFAOYSA-N 367.199 3.942 10 1 FHCF CC[C@]1(c2ccc(F)cc2O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962707617 IRVBCZQSJPEJFV-YJBOKZPZSA-N 367.342 3.831 10 1 FHCF O=C1NC[C@H](c2ccc(N3CCCCC3)cc2)N1c1ccc2[nH]cnc2c1 116195376 HDKANOMLDGKNCU-HXUWFJFHSA-N 361.449 3.824 10 1 FHCF Cc1cc(N2CCCCC2)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 28822431 PQIBENCOUWMQIQ-UHFFFAOYSA-N 367.401 3.876 10 1 FHCF Oc1ccccc1C/N=N/c1cc(N2CCCC2)nc(N2CCCC2)n1 169690112 JXFIFHFQPYKXLG-BSYVCWPDSA-N 352.442 3.667 10 1 FHCF O=c1cc(/C=C/c2ccc(O)c(O)c2)oc(/C=C/c2ccc(O)c(O)c2)c1 1655221 FAOXYWQUAVURJX-IJIVKGSJSA-N 364.353 3.803 10 1 FHCF O=C(O)c1cccc2c1N[C@H](c1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 2470899 GQCJWYDFODGKMZ-BWACUDIHSA-N 352.346 3.825 10 1 FHCF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(O)c(O)c1)O2 587403084 FBKQVWKFIGKCGR-QFIPXVFZSA-N 361.397 3.897 10 1 FHCF CC=C1CN2[C@H]3C[C@H]1[C@@H](COC(C)=O)[C@H]2Cc1c3n(C)c2ccccc12 2356651662 VUGQJDAMPXXRFW-DWIQEWEKSA-N 350.462 3.605 10 1 FHCF Oc1ccc(-c2cnccn2)cc1CNC1CCN(Cc2ccccc2)CC1 12047563 WHUQDBVVEATUQF-UHFFFAOYSA-N 374.488 3.603 10 1 FHCF COC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1 29483358 QFUOKYZEWZZDLW-KAGYGMCKSA-N 374.484 3.823 10 1 FHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(N)ccnc3[nH]1)[C@@H]1CC=C[C@H]21 587276049 ILJDYUKDYXHJRZ-OZVIIMIRSA-N 362.393 3.583 10 1 FHCF Cc1cc2c(n1-c1ccc(C(=O)NC[C@@H]3CCCO3)cc1)CC[C@H](C)C2 6877956 IRTYBQQDUZBKOW-YWZLYKJASA-N 352.478 3.819 10 1 FHCF COc1ccc(N2CCN(Cc3cn(-c4ccccc4)nc3C)CC2)cc1 58523824 CZRUWILQRBMSBH-UHFFFAOYSA-N 362.477 3.512 10 1 FHCF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)c(O)c4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356337251 WRFCXWWPRNBPHO-BWWWESJBSA-N 366.457 3.992 10 1 FHCF [N-]=[N+]=N[C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 6092284 ACIDOKFIOLLVDB-MBNVHVTPSA-N 352.438 3.520 10 1 FHCF CC(C)NC(=O)/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 1857765669 KOFLOAZHNCWEPH-VMPITWQZSA-N 353.374 3.754 10 1 FHCF N=C(CC1CCCCC1)[P@@](=O)(O)C[C@@H](Cc1ccc(N)cc1)C(=O)O 169718203 BCPQCDVCWVGYJS-OAHLLOKOSA-N 366.398 3.730 10 1 FHCF COc1ccc(C2=C[C@]3(OC)C(=O)c4ccccc4C(=O)[C@H]23)c2cccnc12 96934673 NZRHBTNEIUVNDK-WMZHIEFXSA-N 371.392 3.721 10 1 FHCF COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587807817 NQQSQLOIATYCAU-XXFAHNHDSA-N 366.230 3.926 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N)ccc2O)N1 587744795 IOMAJXXXQDBBMX-XYZCENFISA-N 365.246 3.674 10 1 FHCF C[C@H](Oc1ccccc1)C(=O)/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 13124991 JRVWXIGXXQGRGI-DWEVXAOKSA-N 354.322 3.860 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2O)N1 587822936 RTFPNICGMKSDJE-ZKANADHPSA-N 352.203 3.623 10 1 FHCF COC(=O)[C@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1 40374281 QFUOKYZEWZZDLW-VCOUNFBDSA-N 374.484 3.823 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)cc2O)N1 587746263 LOAAEBYHDJLTCC-XYZCENFISA-N 365.246 3.674 10 1 FHCF CCOc1cc(C(=O)C(=O)c2ccc(OC)c(OCC)c2)ccc1OC 20616473 WTDSIHIDRQKUHD-UHFFFAOYSA-N 358.390 3.567 10 1 FHCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(O)c1 587611753 UBDQLANUAIGIEU-FXAWDEMLSA-N 350.326 3.506 10 1 FHCF Cc1ccc2c(c1)N(CCO)/C(=C/c1sc3ccccc3[n+]1C)S2 3639849 WHNWRMWYOADNRR-UHFFFAOYSA-N 355.508 3.937 10 1 FHCF CC(C)n1c2c(c3ccccc31)C(=O)c1c[n+]([O-])c3ccccc3c1C2=O 84757562 MXBBNIPDWDPBPP-UHFFFAOYSA-N 356.381 3.784 10 1 FHCF C/C=C/c1cc(CN2CCN(c3ccc(OC)cc3)CC2)c(O)c(OC)c1 59866778 OJYCKEOAZWNIGW-SNAWJCMRSA-N 368.477 3.765 10 3 FHCF Cc1cccc([C@@H]2CN(C)CCc3c2cc(O)c(O)c3Br)c1 87723298 KAWHMWCFXIXOBJ-HNNXBMFYSA-N 362.267 3.789 10 1 FHCF COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587808750 QQKUFFZFCYNMIZ-XXFAHNHDSA-N 366.230 3.926 10 1 FHCF CC1(CO)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 13755449 WTRKWLHEIVJAHM-UHFFFAOYSA-N 350.418 3.788 10 1 FHCF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(CN2CCOCC2)cc1 101954803 WJVARJRPLXISRE-GHVJWSGMSA-N 364.405 3.630 10 1 FHCF CC[C@H](C)OC(=O)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29558067 TWYMYDWTOLEJFH-INIZCTEOSA-N 360.498 3.539 10 1 FHCF Cc1ccc(COc2cc(O)cc3oc4cc(O)c(O)cc4c(=O)c23)cc1 72176728 CQGRWDPIIDWFAD-UHFFFAOYSA-N 364.353 3.950 10 1 FHCF CC(C)CNc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 95601852 TVPWWXIFYWANPJ-UHFFFAOYSA-N 354.458 3.793 10 1 FHCF CCC(CC)COC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 169691582 FHJDVSJUIMPPHS-ZWKOTPCHSA-N 359.470 3.573 10 1 FHCF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@@H]1CO 95869200 PQGCCZKYATWNIV-NYVOZVTQSA-N 366.505 3.754 10 1 FHCF O=C1c2ccccc2C(=O)c2[nH]c(-c3ccccc3Br)nc21 1857768251 FNZIOIONSXSHQG-UHFFFAOYSA-N 353.175 3.615 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(O)c2)N1 587822440 OEZLHVRSWYRMCU-HUTHGQBESA-N 366.230 3.797 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cccc2O)N1 587822533 PBKCKOLCXMCXHP-VVVCHXIZSA-N 366.230 3.797 10 1 FHCF O=C(O)Cc1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1 28363750 YNOIKPKDAHSZJK-GDNBJRDFSA-N 355.440 3.720 10 1 FHCF O=C(c1cc(O)cc(/C=C/c2ccc(O)cc2)c1)c1cc(O)c(O)c(O)c1 103290358 CDRKHNFLJMULIE-OWOJBTEDSA-N 364.353 3.616 10 1 FHCF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(O)c(O)c1)O2 587403083 FBKQVWKFIGKCGR-JOCHJYFZSA-N 361.397 3.897 10 1 FHCF COc1cc2c(c3c1CCC(C)(C)O3)C(=O)c1c(O)cc(C)cc1C2=O 2356562481 YMAAIODFAUAYDO-UHFFFAOYSA-N 352.386 3.588 10 1 FHCF Nc1ccc(Oc2ccc3nc(CSc4cccc[n+]4[O-])[nH]c3c2)cc1 586969238 ITUQHKLXKDQWQD-UHFFFAOYSA-N 364.430 3.863 10 1 FHCF O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ccc(O)c(O)c2)cc1 103279585 CBORMFPBQPCDNJ-FMQUCBEESA-N 370.390 3.709 10 1 FHCF CCn1c(O)c(/N=N\C(=O)CNC(=O)c2ccccc2F)c2ccccc21 102695007 WCPQCTFDHFFEGG-FCQUAONHSA-N 368.368 3.546 10 1 FHCF CO[C@H](c1cc2c([nH]1)C(=O)c1cc([C@@H](OC)C(C)C)[nH]c1C2=O)C(C)C 2356721637 KPBCXPMTKRBLKG-PMACEKPBSA-N 358.438 3.805 10 1 FHCF COc1ccc(Cl)c2c1CCN[C@]2(C)c1ccc(N2CCOCC2)cc1 963257439 KFFYVQBJMIHOKS-OAQYLSRUSA-N 372.896 3.594 10 1 FHCF COc1ccc(-c2nsc3c2C(=O)c2cccc(OC)c2C3=O)cc1 1911573515 JOQUVQZBSLNSDW-UHFFFAOYSA-N 351.383 3.603 10 1 FHCF CC(C)=C[C@@H]1Oc2c(ccc(O)c2O)-c2oc3cc(O)cc(O)c3c(=O)c21 59762310 SARPNRIRSXLADG-ZDUSSCGKSA-N 368.341 3.682 10 1 FHCF biogenic Oc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)Oc3c1ccc(O)c3O)NCC2 963352209 KWTHPOZBBQHNMQ-QHCPKHFHSA-N 373.408 3.626 10 1 FHCF CCN(CC)C[C@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1 40847946 HSRHHVXQMYMAMF-NRFANRHFSA-N 368.521 3.721 10 1 FHCF CCOc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1O 169348590 STTGEIQYICIZNU-ZROIWOOFSA-N 361.444 3.785 10 1 FHCF COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](C)[C@H]2C)cc(O)c1O 36424192 JDTLASIBQWZXNQ-CZIZLABSSA-N 374.433 3.789 10 1 FHCF biogenic CCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 1772629614 BMRNUWBMTPEMSE-KSFYIVLOSA-N 368.477 3.940 10 1 FHCF COc1ccc(C2=N[C@H](C(C)C)N[C@H](c3ccccc3O)C2)cc1OC 4729388 VFMYTZIUNYXPKQ-UWJYYQICSA-N 354.450 3.915 10 1 FHCF COc1ccc2c(c1OC)[C@H](c1c(O)ccc3cccnc13)N(C)[C@H](C)C2 962640172 ZECCWMKSIFHAFU-LRTDBIEQSA-N 364.445 3.923 10 1 FHCF C[C@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277180 QEUWGLINOOKZSW-LLVKDONJSA-N 364.365 3.651 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(O)c2O)N1 587823036 SEKWMFUIBPNYST-HUTHGQBESA-N 366.230 3.797 10 1 FHCF COc1ncc(F)cc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587175759 HEURKNBOPLREMK-UHFFFAOYSA-N 373.343 3.548 10 1 FHCF COc1cccc(O)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587807326 MZTRVJPCGSMLKY-VVVCHXIZSA-N 366.230 3.926 10 1 FHCF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1cccc(O)c1O)O2 1857766826 NVXDPMZTGKIVRF-MRXNPFEDSA-N 356.374 3.724 10 1 FHCF COC(=O)c1c(C)c(OC)cc(O)c1CNc1ccc2ncccc2c1 28950810 OZAPABYDNABONR-UHFFFAOYSA-N 352.390 3.656 10 1 FHCF COc1cc(/C=C\c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(O)c1O 587786399 TUTMOHSYJLVLTJ-IHWYPQMZSA-N 352.177 3.855 10 1 FHCF Nc1ccc(Oc2ccc3nc(-c4c(N)cccc4C(=O)O)[nH]c3c2)cc1 587249288 GOYDCFGLYAWHBI-UHFFFAOYSA-N 360.373 3.885 10 1 FHCF COc1cccc(-n2ncc3c(/N=N/Cc4cccc(N)c4)ncnc32)c1 169685260 SAYRDVNPGVTKEX-WJTDDFOZSA-N 359.393 3.690 10 1 FHCF O=C(C(=O)c1ccc(Cl)cc1Cl)c1cn(Cc2ccccc2)nn1 96933712 YDCAFKMHVYKAPO-UHFFFAOYSA-N 360.200 3.699 10 1 FHCF COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3cc(O)c(O)c(OC)c3)nc2c1 587785948 QASXJWPPUHGONZ-ONEGZZNKSA-N 374.780 3.593 10 1 FHCF C[C@H](Oc1ccccc1)C(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 101660212 JRVWXIGXXQGRGI-MEFNJXNFSA-N 354.322 3.860 10 1 FHCF Cc1cccc2c3c(ccc12)-c1occ(CN2CCN(C)CC2)c1C(=O)C3=O 1772624205 YDXWLNNEOFQBEF-UHFFFAOYSA-N 374.440 3.535 10 1 FHCF CN(C)c1ccc(/C=c2/c3ccccc3n3c2c2ccccc2[n+]3C)cc1 1660389 KOUZDRJGPBXXRG-UHFFFAOYSA-N 352.461 3.684 10 3 FHCF CCCc1c(O)ccc2c1O[C@]1(CCN(c3ccc(OC)cc3)C1)CC2=O 587476495 PFFZIPBJWKMTJP-JOCHJYFZSA-N 367.445 3.968 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cccc2O)N1 587820953 GEGGSYFTDKOUIH-PWJLMRLQSA-N 352.203 3.623 10 1 FHCF COc1ccc2c(c1)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2ccccc12 28711246 QKLHJXNWYGPWJU-UHFFFAOYSA-N 360.373 3.922 10 1 FHCF CC1(C)CC(=O)C(/N=N/c2cc3nc4ccccc4nc3cc2N)C(=O)C1 299859034 HGOUVQMGCNEAOD-OCOZRVBESA-N 361.405 3.776 10 1 FHCF CC(=O)N[C@@H](c1ccco1)c1cc(Br)c2cccnc2c1O 36380871 NWMYCGQBLDZOTE-CQSZACIVSA-N 361.195 3.521 10 1 FHCF O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(F)c(F)c1 40895365 SWKODYFIAJOGRC-BJMVGYQFSA-N 369.154 3.733 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2O)N1 587821636 JDYCTRQUABLUBR-BCTVWOGZSA-N 352.203 3.623 10 1 FHCF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587804318 ATYIGLOURSNQOT-HUTHGQBESA-N 366.230 3.926 10 1 FHCF O=C(O)c1cccc2c1N[C@@H](c1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4124105 GQCJWYDFODGKMZ-JKDFXYPNSA-N 352.346 3.825 10 1 FHCF COCc1cc(/N=N/c2cccc(S(N)(=O)=O)c2)c2ccccc2c1N 89469668 LNGSBEHAYWUJJG-QURGRASLSA-N 370.434 3.631 10 1 FHCF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c(O)c1O 587526083 RMLPSISXPBUBTQ-MRXNPFEDSA-N 370.401 3.700 10 1 FHCF CC(C)=CCc1cc([C@@H]2CC(=O)[C@H]3C(O)=CC(O)=C[C@@H]3O2)cc(O)c1O 2356578778 FAJUNBRFOLDTLS-GBESFXJTSA-N 358.390 3.519 10 1 FHCF O=C(O)CN1C(=O)/C(=C/c2ccc(-c3cccs3)s2)SC1=S 13678251 PZQSQUMQKAMMNA-WDZFZDKYSA-N 367.498 3.762 10 1 FHCF CN1CCCC[C@@H]1c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 238777776 WPYCQKPTEOGNOH-PBHICJAKSA-N 353.418 3.961 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(O)c2)N1 587823341 UHEPXULAWBWCEK-XYZCENFISA-N 366.230 3.797 10 1 FHCF CCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccccc2F)c2ccccc21 101789859 WCPQCTFDHFFEGG-GHVJWSGMSA-N 368.368 3.546 10 1 FHCF NC(=O)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12 101920979 NGCWNYFZJSMJDC-CCEZHUSRSA-N 361.981 3.561 10 1 FHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 142181872 BYUGSVHDVKMFAH-AWEZNQCLSA-N 372.440 3.689 10 1 FHCF COc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1 1772602910 XFKBULSWYHSGCD-NRFANRHFSA-N 373.412 3.787 10 1 FHCF O=C1C=CC[C@@H](/C=C/c2ccccc2)N1C(=O)/C=C/c1ccc(O)c(O)c1 299834443 JEQQNQXDEFLFET-HBSXTGADSA-N 361.397 3.508 10 1 FHCF COc1cccc(-n2ncc3c(/N=N/Cc4ccc(N)cc4)ncnc32)c1 169685261 HWUNOLMGYVTEKF-WJTDDFOZSA-N 359.393 3.690 10 1 FHCF COc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1N1CCOCC1 299819970 GNOVSSBJUMGQNO-MHWRWJLKSA-N 370.836 3.678 10 1 FHCF O=C1C[C@@H](c2cc(O)c(O)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587511218 NXYSZLSKFIIRTJ-KRWDZBQOSA-N 355.346 3.591 10 1 FHCF COc1cccc(O)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587808215 PPCVAYHCIVNTSQ-XYZCENFISA-N 366.230 3.926 10 1 FHCF O=C(O)COc1ccc(C=C2SC(=S)N(c3ccccc3)C2=O)cc1 1857623207 FHJKCRLEDVBTTI-UHFFFAOYSA-N 371.439 3.556 10 1 FHCF Cc1cc2c(n1-c1ccc(C(=O)NC[C@@H]3CCCO3)cc1)CC[C@@H](C)C2 6877958 IRTYBQQDUZBKOW-QRWLVFNGSA-N 352.478 3.819 10 1 FHCF O=C(O)c1cccc(N2N=C(c3ccccc3)/C(=C/c3ccco3)C2=O)c1 653836211 HPJRFNJSAWHFEU-AQTBWJFISA-N 358.353 3.812 10 1 FHCF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2ccccc2O)N1 963170894 AVIAAXPZFKMYSO-UKRRQHHQSA-N 371.742 3.753 10 1 FHCF Cc1ccccc1COc1cc(O)cc2oc3cc(O)c(O)cc3c(=O)c12 72176672 VHMXUHZSSAFSDN-UHFFFAOYSA-N 364.353 3.950 10 1 FHCF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587807130 JVBRHMIQBUGPDO-XYZCENFISA-N 366.230 3.926 10 1 FHCF CN(CCO)c1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 587193370 ZSDZZANAKFIIIF-UHFFFAOYSA-N 353.319 3.816 10 1 FHCF FC(F)(F)C1=NC2=CC=CC(=[N+]3C=CN(Cc4ccccc4)C=C3)C2=N1 377853413 ZVPRVTLQVCJGOP-UHFFFAOYSA-N 355.343 3.767 10 1 FHCF O=C(/C=C/c1ccccc1)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O 40836016 LKDZOZGQKGCNKG-JLHYYAGUSA-N 370.360 3.786 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2O)N1 587821081 GOCUEVCXLJDERJ-XYZCENFISA-N 366.230 3.797 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(O)c2)N1 587823340 UHEPXULAWBWCEK-XLFHBGCDSA-N 366.230 3.797 10 1 FHCF CC(C)CNC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 15952448 XXTHSYNVJYXUIQ-IOASZLSFSA-N 354.372 3.811 10 1 FHCF Cc1ccnc2c1CCN[C@@]21C=C(c2ccccc2)Oc2cc(O)cc(O)c21 963072788 NVTYAPYBMCUTGH-HSZRJFAPSA-N 372.424 3.624 10 1 FHCF COc1ccc(N(Cc2nn[nH]n2)Cc2ccc(Cl)cc2Cl)cc1 473127120 UVMUOXIZZAHAFI-UHFFFAOYSA-N 364.236 3.722 10 1 FHCF COc1ccc2c(c1OC)[C@@]1(CCc3ccc(C)c(O)c31)N(C)[C@@H](C)C2 962616766 AOWKXZGJQCYMRF-FPTDNZKUSA-N 353.462 3.784 10 1 FHCF CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)CC2=O 5854473 XJUDJFVOICLOMY-GOSISDBHSA-N 356.374 3.724 10 1 FHCF biogenic O=C1c2ccccc2C(=O)N1c1ccc(CCc2ccc(O)c(O)c2)cc1 45284466 RZUPIZSDKRTTHJ-UHFFFAOYSA-N 359.381 3.684 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C=O)c2O)N1 587833096 LWFXABADEAEGFB-ABKXIKBNSA-N 364.214 3.730 10 1 FHCF Cc1c(Cl)c(O)c2c(c1Cl)C(=O)c1c(Cl)c(O)cc(O)c1C2=O 169347417 CYVGTUKHSLBNDB-UHFFFAOYSA-N 373.575 3.847 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2O)N1 587822650 QAEJNIMFPSWSLH-BCTVWOGZSA-N 352.203 3.623 10 1 FHCF O=C1c2ccsc2C(=O)c2c(-c3ccccc3Br)noc21 1857555147 AKWUOOIJPDEESY-UHFFFAOYSA-N 360.188 3.941 10 1 FHCF Cc1ccc([C@@H]2CN(C)CCc3c2cc(O)c(O)c3Br)cc1 89464556 LBIPTTYQIBCFPG-HNNXBMFYSA-N 362.267 3.789 10 1 FHCF C[C@@H](Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1ccc(Cl)cc1 1857599385 PTSWTAUGLDMBJZ-GFCCVEGCSA-N 355.825 3.823 10 1 FHCF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(CN(C)C)c1)CC2=O 587470643 VLLZAMUAWFUXFV-HXUWFJFHSA-N 355.434 3.818 10 1 FHCF CN(CCO)c1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 587192897 JAASKJAEDKXNHT-UHFFFAOYSA-N 371.440 3.889 10 1 FHCF COc1ccc(C2=C/C(=C/c3cccc(OC)c3OC)C(=O)O2)cc1OC 840585 WXMMHTVWSWDRGX-GDNBJRDFSA-N 368.385 3.702 10 1 FHCF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1[N+](=O)[O-])C2 169290300 DZJLZIATUZYNSZ-ZNCJYAHUSA-N 361.394 3.777 10 1 FHCF Cc1cc2c(n1-c1ccc(C(=O)NC[C@H]3CCCO3)cc1)CC[C@@H](C)C2 6877959 IRTYBQQDUZBKOW-FOIQADDNSA-N 352.478 3.819 10 1 FHCF O=C(O)c1cccc2c1N[C@@H](c1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 169313239 GQCJWYDFODGKMZ-QFSBIZTOSA-N 352.346 3.825 10 1 FHCF CCCCCC(=O)NC[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1 103297451 WCCFUIYFMGKUFY-LDQXTDLNSA-N 367.537 3.835 10 1 FHCF Oc1ccccc1CNc1ccc(-c2ccc(N3CCOCC3)cc2)nc1 473082781 LGYOLBXXMXCKHR-UHFFFAOYSA-N 361.445 3.903 10 1 FHCF O=C(c1ccccc1)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 26746202 PKLSKWMMKKIEQA-UHFFFAOYSA-N 364.489 3.815 10 1 FHCF CN(CCO)c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 587192745 BBJYLNIRBAEQPD-UHFFFAOYSA-N 351.328 3.557 10 1 FHCF CC(C)CNC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 15952450 XXTHSYNVJYXUIQ-ZENOOKHLSA-N 354.372 3.811 10 1 FHCF O=C1c2ccsc2C(=O)c2c(-c3ccc(Br)cc3)noc21 1857562874 UTMFIRGYBZUENK-UHFFFAOYSA-N 360.188 3.941 10 1 FHCF Oc1ccc(/C=C\c2nnc(/C=C\c3ccc(O)c(O)c3)s2)cc1O 73351328 KAFQFUKQGFVORO-VHOZIDCHSA-N 354.387 3.701 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)ccc2O)N1 587821768 JXGZWGFISSKVOV-XLFHBGCDSA-N 364.214 3.730 10 1 FHCF CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1[N+](=O)[O-])C2 169290302 DZJLZIATUZYNSZ-LZPSEVSASA-N 361.394 3.777 10 1 FHCF CCOc1ccc(N2CCN(c3noc(C(C)(F)F)n3)[C@@H](C)C2)c(C)c1 103252693 HLCJPYQMBCLLDQ-ZDUSSCGKSA-N 366.412 3.604 10 1 FHCF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c(O)c1O 587526068 RMLPSISXPBUBTQ-INIZCTEOSA-N 370.401 3.700 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)ccc2O)N1 587822387 NTQAUEHGUARKRX-HUTHGQBESA-N 364.214 3.730 10 1 FHCF C[n+]1c2ccccc2c(Nc2ccc(S(C)(=O)=O)cc2)c2ccccc21 26836582 AFJYATQFMYTYBJ-UHFFFAOYSA-O 363.462 3.965 10 1 FHCF CN1CCCC[C@H]1c1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 14919725 NYHSNZHJNMYKDB-WMLDXEAASA-N 369.417 3.667 10 1 FHCF biogenic O=C1c2ccccc2C(=O)c2[nH]c(-c3csc(-c4ccccc4)n3)nc21 1857772251 GOPHVIWJBIHSFU-UHFFFAOYSA-N 357.394 3.976 10 1 FHCF O=c1cc(-c2ccccc2)c2ccc(OCc3nnc(S)o3)cc2o1 1857574795 WOHWXTCVSKQXKX-UHFFFAOYSA-N 352.371 3.711 10 1 FHCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCCCCCCCCCCO 1857561816 SJEZPFGNCTYMQD-NTCAYCPXSA-N 370.511 3.987 10 1 FHCF O=C(NCc1ccccn1)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169301804 FYSQIMKFDDFFLD-VKJFTORMSA-N 373.378 3.871 10 1 FHCF Cc1c(O)ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587823483 UOEWRCPIKHPCAR-VPTHRUTESA-N 366.230 3.931 10 1 FHCF CCCCNCCN1CCN(c2ccc(OC)cc2)C[C@@H]1c1ccccc1 45390170 JXMPBFHRNHPOJI-HSZRJFAPSA-N 367.537 3.948 10 1 FHCF COc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(C)=O)C3=O)o2)cc1 95605592 LHEWYNPZYZQQIM-SXGWCWSVSA-N 373.455 3.745 10 1 FHCF Cc1cc(O)cc(O)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587822743 QNSZBKQYURXCSQ-XYZCENFISA-N 366.230 3.931 10 1 FHCF Cc1ccnc2c1CCN[C@]2(c1ccc(Cl)cc1)c1ccc(O)cc1O 963064646 BPMPSCXFKMDIMV-OAQYLSRUSA-N 366.848 3.892 10 1 FHCF COc1cccc(-c2ccc(O)c(CN(C)C[C@@H](O)c3ccccc3)c2)n1 14887609 WCYZNTRPZPRTFR-OAQYLSRUSA-N 364.445 3.628 10 1 FHCF Nc1ccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1 101079061 RNCMOIGQCBSLTJ-UHFFFAOYSA-N 371.396 3.531 10 1 FHCF Cc1nc2ccc(CSC(=S)NCc3ccccc3)cc2c(=O)[nH]1 28336599 ABYGSIQRYXBGFY-UHFFFAOYSA-N 355.488 3.539 10 1 FHCF O=C(/C=C/c1cc(O)c(O)c(Br)c1)OCCc1ccccc1 299830375 MWYDWCZNIJRXKU-VOTSOKGWSA-N 363.207 3.659 10 1 FHCF Cc1cc(O)cc(O)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587823916 XECOCCKTBQZOFP-XYZCENFISA-N 366.230 3.931 10 1 FHCF Cc1cc2c(cc1F)[C@@H](c1ccc(F)c(Br)c1O)NCC2 962142949 HIJFYQZKKMHWSL-OAHLLOKOSA-N 354.194 3.976 10 1 FHCF CCCC1=Nc2ncnn2[C@H](c2ccc(N(C)C)cc2)/C1=C(\O)OCC 101963400 VUZNKJCPAQTNBB-GROYHEBESA-N 355.442 3.626 10 1 FHCF COc1cccc2c1[C@H](C)C[C@H](O)[C@@H]2c1ccc2c(c1O)[C@H](C)N[C@@H](C)C2 2356703440 CJSBULIESOFFFZ-OYUKMGTOSA-N 367.489 3.996 10 1 FHCF Cc1ccccc1/N=N/C(=C1/NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-] 103216852 MUULMAHIPPWCEZ-ZOKPAGGWSA-N 372.816 3.636 10 1 FHCF C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075219 VOSOSNSMMSOIES-XTQVGHSUSA-N 366.505 3.582 10 1 FHCF C[C@]12CC[C@@H]3c4cc(CN5CCOCC5)c(O)cc4CC[C@@H]3[C@H]1CCC2=O 105043009 FJWJRQPFLAFCSE-DWXLDPMZSA-N 369.505 3.650 10 3 FHCF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)cc2O)N1 587742936 BWEYGDBMFXUKES-XLFHBGCDSA-N 365.246 3.674 10 1 FHCF O=C(NCc1ccccn1)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]12 15952408 FYSQIMKFDDFFLD-DAYGRLMNSA-N 373.378 3.871 10 1 FHCF CCOC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(C)n3C)cc2)C[C@@H]2CC[C@H]1N2 27551180 TXACAODLYQXGHT-QEUVDIPISA-N 352.478 3.788 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(O)c2)N1 587823924 XGJJVHLBNKZIOD-ZKANADHPSA-N 352.203 3.623 10 1 FHCF Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCNCC1 45316734 NUACQXUAUQTZOE-UHFFFAOYSA-N 368.868 3.743 10 1 FHCF COc1cc(/C=C/c2nc3cc(C(F)(F)F)ncc3[nH]2)cc(O)c1O 587784978 GMMLTQAMDJJQQA-NSCUHMNNSA-N 351.284 3.567 10 1 FHCF Cc1nc2c(n1-c1ccc(Br)cc1)C(=O)c1ccccc1C2=O 1589975 APVKJXLEZCSCCT-UHFFFAOYSA-N 367.202 3.719 10 1 FHCF COC(=O)c1ccc(-n2c(C)cc3c2CCCC3)c(O[C@H]2CCOC2)c1 587925153 PESFMWNJJZWBTQ-KRWDZBQOSA-N 355.434 3.619 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C=O)c2O)N1 587834560 SEMKQIHUDIBRSQ-XXFAHNHDSA-N 364.214 3.730 10 1 FHCF CC(C)CNC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21 15952449 XXTHSYNVJYXUIQ-WOSRLPQWSA-N 354.372 3.811 10 3 FHCF COc1cc(C/N=N/c2ncnc3c2cnn3-c2ccccc2)ccc1O 169685226 WKRILDJQEFSWGL-ZNTNEXAZSA-N 360.377 3.814 10 1 FHCF COc1ccc(OC)c(-c2ccc(O)c(CNCC3(O)CCCCC3)c2)c1 45290256 PDBDUELKWWUHGP-UHFFFAOYSA-N 371.477 3.861 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(O)c2)N1 587822442 OEZLHVRSWYRMCU-VVVCHXIZSA-N 366.230 3.797 10 1 FHCF COC(=O)CCN1CCc2cc(/N=N\c3ccc([N+](=O)[O-])cc3)ccc21 102406978 VBUURYFWBBWJLE-VXPUYCOJSA-N 354.366 3.936 10 1 FHCF O=C(O)CCc1ccc(-c2ccccc2)n1-c1cc(O)cc(C(=O)O)c1 587926846 QUPSQKSKTJPHEY-UHFFFAOYSA-N 351.358 3.565 10 1 FHCF Cc1c(O)cc(O)c([C@@H]2c3ccsc3CCN2Cc2cccnc2)c1O 962996321 PFOLWCUZDABGDU-IBGZPJMESA-N 368.458 3.716 10 1 FHCF Cc1ccc(-n2nc3c4c(ccc3c2O)C(=O)c2ccccc2C4=O)cc1 8830075 YAPCVZONUXMEAT-UHFFFAOYSA-N 354.365 3.815 10 1 FHCF aggregator CN1c2ccccc2Sc2ccc([C@@]3(O)CN4CCCC[C@H]4CO3)cc21 261176688 VAPWSXKEANDDSP-HRAATJIYSA-N 368.502 3.949 10 1 FHCF Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)N(C)C2=S)cc1 653822697 UCKIYPMIZUXCBG-AQTBWJFISA-N 351.475 3.665 10 1 FHCF Cc1c(O)ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587823025 SBXVPVPMORJDLR-ZKANADHPSA-N 366.230 3.931 10 1 FHCF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1C(F)(F)F 1772581570 PRXLCXCEZCQCFQ-SOFGYWHQSA-N 352.308 3.916 10 1 FHCF COc1c(-c2ccc(O)c(O)c2)cc2oc3cc(O)c(O)cc3c2c1O 14645703 UTCBJYZVZQSKKF-UHFFFAOYSA-N 354.314 3.790 10 1 FHCF biogenic Cn1cccc1CN1CCc2sccc2[C@H]1c1cc([N+](=O)[O-])ccc1O 962374309 PDPLYDNOEWOAME-IBGZPJMESA-N 369.446 3.848 10 1 FHCF Cc1c(C=O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 13762072 ZGCJSQLGNBMGHW-UHFFFAOYSA-N 357.406 3.808 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2O)N1 587823487 UOLXSDCRTBXMQH-XLFHBGCDSA-N 366.230 3.797 10 1 FHCF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)c(O)c4)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356337253 WRFCXWWPRNBPHO-OSAWRWAZSA-N 366.457 3.992 10 1 FHCF O=C(c1cc(Br)c[nH]1)N(Cc1ccccc1O)CC1CCC1 103232594 CKGHAZLTGFNZLH-UHFFFAOYSA-N 363.255 3.925 10 1 FHCF [N-]=[N+]=NC(COc1ccccc1[N+](=O)[O-])COc1ccccc1[N+](=O)[O-] 2178320083 GFVPQOHYCKHODY-UHFFFAOYSA-N 359.298 3.640 10 1 FHCF CCc1ccc2[nH]c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 144872707 SDWNCWSMTGLISE-UHFFFAOYSA-N 363.461 3.701 10 1 FHCF COC(=O)COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1 71317622 CYHJKSMJJUKKSB-BOPFTXTBSA-N 367.426 3.608 10 1 FHCF Oc1ccc(Nc2nc(-c3cc(O)c(O)c(O)c3)nc3ccccc23)cc1 58650220 UNOMWMRTRNHJIG-UHFFFAOYSA-N 361.357 3.863 10 1 FHCF Cc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587821047 GMOKMFTUJJDMFR-VVVCHXIZSA-N 366.230 3.931 10 1 FHCF O=C(/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1[N+](=O)[O-] 102456179 KHDUAPDCGLRQTD-ZCXUNETKSA-N 355.266 3.614 10 1 FHCF CCCOc1ccc(N2CCN(c3noc(CC)n3)[C@@H](CC)C2)c(C)c1 103252653 OUQMRFNKTXMQLQ-INIZCTEOSA-N 358.486 3.834 10 1 FHCF COc1ccccc1-c1ccnc2c1C(=O)c1sc([N+](=O)[O-])cc1C2=O 1857632821 DSXXMQLTUYZHGS-UHFFFAOYSA-N 366.354 3.502 10 1 FHCF CC[C@H](C)CCc1c(O)c(C)c(O)c2c1C(=O)c1c(O)cccc1C2=O 71297030 AEKIVMGNSYCSFZ-JTQLQIEISA-N 354.402 3.866 10 1 FHCF biogenic COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(O)c3[C@H](C)N1CC2 85996837 OFHYKBHNENOGPU-BLLLJJGKSA-N 355.434 3.635 10 1 FHCF biogenic O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(Cl)cc2O)N1 962976217 ZGBVAIVUVGXZHD-XHDPSFHLSA-N 374.170 3.666 10 1 FHCF CCOC(=O)Cc1oc2c(c1-c1ccccc1)C(=O)c1ccccc1C2=O 1857636096 FQTGSBBAJYSPDR-UHFFFAOYSA-N 360.365 3.828 10 1 FHCF NCc1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O 28380031 PUIOJSBMQYTVBS-UHFFFAOYSA-N 370.634 3.911 10 1 FHCF CCN(C)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N=C3O)cc2)cc1 84525345 HGLOFZAAWCUCQY-UHFFFAOYSA-N 365.458 3.564 10 1 FHCF COC(=O)C1=C(C)/C(=C(\O)OC)C(C)=N[C@@H]1c1c(O)ccc2ccccc12 13555361 QJVQSIKNNFZXMX-ZWVASEPXSA-N 367.401 3.967 10 1 FHCF Nc1ccc(C[C@@H](N)c2csc(Nc3nncc4ccccc34)n2)cc1 61907486 KFHIGKDIQLMNPY-MRXNPFEDSA-N 362.462 3.655 10 3 FHCF CC=C1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1C(=CO)C(=O)OC 2356507512 WKWHYFHGTWZCLM-QFBILLFUSA-N 352.434 3.648 10 1 FHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)OC)cc3)C2)cc1 142235604 WXTZKTRXTALJCJ-HNNXBMFYSA-N 370.449 3.770 10 1 FHCF C[C@H](Oc1cc(-c2ccn(C)c(=O)c2)cnc1N)c1ccc(Cl)cc1 1857599386 PTSWTAUGLDMBJZ-LBPRGKRZSA-N 355.825 3.823 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(O)c2)N1 587822446 OEZLHVRSWYRMCU-XYZCENFISA-N 366.230 3.797 10 1 FHCF CC[C@@]1(c2cccc(F)c2O)NCCc2cnc3c(OC)cccc3c21 963030800 FCRWQHFOVBHPCB-NRFANRHFSA-N 352.409 3.887 10 1 FHCF COc1cc(/C=C2\SC(=O)N(C)C2=S)c(Br)cc1O 1857560323 PKBQXPYWWFNRDV-WMZJFQQLSA-N 360.254 3.630 10 1 FHCF CCOC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3ccc(C)n3C)cc1)N2 36271199 TXACAODLYQXGHT-BNDYYXHWSA-N 352.478 3.788 10 1 FHCF O=C1/C(=C/c2ccc3nonc3c2)SC(=S)N1Cc1ccccc1 84728052 CGZRSFVXSWGVGQ-DHDCSXOGSA-N 353.428 3.624 10 1 FHCF O=C(c1ccccc1)c1cc(O)c(O)c(Br)c1Br 53294760 XVDJQTFJBGDHEK-UHFFFAOYSA-N 372.012 3.854 10 1 FHCF COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1 29483367 QFUOKYZEWZZDLW-CZTZKLFOSA-N 374.484 3.823 10 1 FHCF CN(C)c1ccc([C@@H]2N(c3cccc(Cl)c3)C(=O)[C@@H]3CCCN32)cc1 250355449 NHRXDUPXBJYYHF-OALUTQOASA-N 355.869 3.916 10 3 FHCF C[C@H](Oc1ccccc1)C(=O)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 299812984 JRVWXIGXXQGRGI-JTQLQIEISA-N 354.322 3.860 10 1 FHCF COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587808749 QQKUFFZFCYNMIZ-JDNHERCYSA-N 366.230 3.926 10 1 FHCF O=C([C@@H]1Cc2ccccc2[C@@H](c2c(O)ccc3cccnc23)N1)C(F)(F)F 962760530 FUCIKVDCKKKFFA-KSSFIOAISA-N 372.346 3.676 10 1 FHCF CN(C)c1ccc(C=CC=C[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 2356729319 XLCYSDCFEUFEDG-DEOSSOPVSA-N 373.500 3.946 10 1 FHCF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3C2)cc(O)c1O 95918662 JZFBLPMZJMREKB-AWEZNQCLSA-N 354.402 3.930 10 1 FHCF biogenic,in-vitro C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cccc2O)N1 587823593 VHKNBYOBPRLWQN-PWJLMRLQSA-N 352.203 3.623 10 1 FHCF COC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1 29483364 QFUOKYZEWZZDLW-SYYKKAFVSA-N 374.484 3.823 10 1 FHCF CN1CCCC[C@@H]1c1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 238753522 NYHSNZHJNMYKDB-PBHICJAKSA-N 369.417 3.667 10 1 FHCF CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)C2 169293413 AAMHKUSHZPJSMY-UHSAMIASSA-N 361.394 3.777 10 1 FHCF COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CCO4)CC2)cc1 114332859 SGVXZAXLODQFMK-UHFFFAOYSA-N 352.478 3.882 10 1 FHCF NC[C@@H]1O[C@H](C(c2ccccc2)c2ccccc2)Cc2c1ccc(O)c2O 13823815 ILWGLMLPVXFDGW-SFTDATJTSA-N 361.441 3.871 10 1 FHCF CCOC(=O)COc1ccc(-c2ccc(O)c(CN)c2)c(Cl)c1Cl 28009312 RNMFFBBCJJKBDF-UHFFFAOYSA-N 370.232 3.767 10 1 FHCF O=C(C(=O)c1ccc(Cl)cc1Cl)c1cn(CCc2ccccc2)nn1 96932341 IHLPKBIHYUKDBD-UHFFFAOYSA-N 374.227 3.893 10 1 FHCF Cc1c([C@@H]2c3c(cnn3C)CCN2C)c2cc(OC(C)C)ccc2n1C 963953546 AVOPQPYLUGBOFY-OAQYLSRUSA-N 352.482 3.585 10 1 FHCF COc1cccc(CNC(=O)c2cn(C)c3cc(-c4cn[nH]c4)ccc23)c1 73196749 NXMVXFZSFNIWBX-UHFFFAOYSA-N 360.417 3.507 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(O)c2)N1 587822444 OEZLHVRSWYRMCU-XLFHBGCDSA-N 366.230 3.797 10 1 FHCF Cc1nc(N(C)C)ncc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587194410 FQQGWUAJBLVJHV-UHFFFAOYSA-N 360.421 3.769 10 1 FHCF O=C(NCCc1ccccc1)c1ccc(NCc2cc(O)ccc2O)cc1 13861848 OREZHIFSFUGLPL-UHFFFAOYSA-N 362.429 3.682 10 1 FHCF CC(=O)Nc1ccc(/N=N/c2ccccc2OC[C@@H](O)CNC(C)C)cc1 1911571721 RQBHBLJWXRRJKV-FTGFMQHASA-N 370.453 3.798 10 1 FHCF C[C@@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612463 WARZWRHBQAZXFL-NQIIRXRSSA-N 364.353 3.680 10 1 FHCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(Cl)cc2O)N1 962975874 ZGBVAIVUVGXZHD-ABAIWWIYSA-N 374.170 3.666 10 1 FHCF CCN(Cc1ccc(OC)cc1)Cc1c(O)ccc2c(=O)cc(C)oc12 64510317 ZLFFFYZJGWGAKR-UHFFFAOYSA-N 353.418 3.838 10 1 FHCF CC(C)(C)c1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1 586948957 VVSIAKLHBAFWNX-UHFFFAOYSA-N 359.451 3.605 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)cc2O)N1 587746147 LOAAEBYHDJLTCC-HUTHGQBESA-N 365.246 3.674 10 1 FHCF Oc1cc(Br)c(Cc2ccc(O)c(Br)c2)cc1O 53294287 JLDKMLRHNQYNLA-UHFFFAOYSA-N 374.028 3.919 10 1 FHCF CCOc1ccc(N2CC(c3ccc(C[C@H](C)NC(C)=O)cc3)C2)cc1 149628617 ZYECNAQTPMZWIP-INIZCTEOSA-N 352.478 3.756 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2O)N1 587826433 ATLRBLFVRRILAB-GLEZIHRCSA-N 352.203 3.623 10 1 FHCF O=C(O)c1cccc2c1N[C@H](c1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4124102 GQCJWYDFODGKMZ-NVGCLXPQSA-N 352.346 3.825 10 1 FHCF COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1c[nH]c2ccccc12 96922569 UMPPNLQZJNROFI-BOPFTXTBSA-N 359.385 3.517 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2O)N1 587821853 KDDAZYMTAABUMV-ZKANADHPSA-N 352.203 3.623 10 1 FHCF COc1cc(/C=C/c2nc3ccc(Br)cc3[nH]2)cc(O)c1O 587786522 VATDNEUIVFACTM-GORDUTHDSA-N 361.195 3.916 10 1 FHCF Nc1ccc(Oc2ccc3nc(-c4nc(Cl)cnc4N)[nH]c3c2)cc1 587087441 QKJUJYGWGUOYTH-UHFFFAOYSA-N 352.785 3.630 10 1 FHCF CN1c2ccc(N3CCC3)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 95555285 MQVVOAOEMFLPFN-NRFANRHFSA-N 358.445 3.525 10 1 FHCF O=C1c2ccccc2C(=O)N1c1cccc(CCc2ccc(O)c(O)c2)c1 45300244 RQVFGVOHYJNEGD-UHFFFAOYSA-N 359.381 3.684 10 1 FHCF CN(C)CCOc1ccc2c(ccc3c4c(nnc32)-c2ccccc2C4=O)c1 1772573880 PULAYWDUPFTAFG-UHFFFAOYSA-N 369.424 3.935 10 1 FHCF O=C(O)COc1ccc(Br)cc1C/N=N\c1ccccn1 169719767 FWKGWZWGQXRNBE-ZCXUNETKSA-N 350.172 3.591 10 1 FHCF CCC(C)(C)N[C@H]1C(=O)C(=O)[C@H]1CNc1c(C)cc(Cl)cc1Cl 28465830 FHLIPXSUMCRDJR-SMDDNHRTSA-N 357.281 3.629 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(O)ccc2O)N1 587823857 WWHIOKDGMGORSG-VVVCHXIZSA-N 366.230 3.797 10 1 FHCF O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccccc3F)c12 72170240 YJCJNBFHRPNHGR-UHFFFAOYSA-N 368.316 3.781 10 1 FHCF COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)cc(O)c1O)[C@@H](C2)C3=O 587450671 OBJUTJGNMNFKKT-RNODOKPDSA-N 354.402 3.893 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2O)N1 587822932 RTFPNICGMKSDJE-BCTVWOGZSA-N 352.203 3.623 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(O)ccc2O)N1 587823860 WWHIOKDGMGORSG-XYZCENFISA-N 366.230 3.797 10 1 FHCF COc1cc(/C=C\c2nc3cccc(Br)c3[nH]2)cc(O)c1O 587787127 ZXSMXDOPYSXANH-WAYWQWQTSA-N 361.195 3.916 10 1 FHCF CC(C)=CCc1cc([C@@H]2CC(=O)[C@@H]3C(O)=CC(O)=C[C@H]3O2)cc(O)c1O 2356578780 FAJUNBRFOLDTLS-OTWHNJEPSA-N 358.390 3.519 10 1 FHCF O=[N+]([O-])c1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc(O)c1O 962672065 XPEONWYWOWAHRM-HXUWFJFHSA-N 362.385 3.908 10 1 FHCF C[C@@H](Oc1ccccc1)C(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 101660216 JRVWXIGXXQGRGI-QUSGQHSNSA-N 354.322 3.860 10 1 FHCF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccccc1 49048204 LFLHICAQDGOKFD-UHFFFAOYSA-N 370.390 3.713 10 1 FHCF CNc1c(-c2ccc(O)c(O)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622751 GPICPTNXUCBVLP-UHFFFAOYSA-N 373.210 3.927 10 1 FHCF CCOc1ccc(N2CC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1 587396928 XHCBOSAQONFFFU-OAQYLSRUSA-N 352.434 3.590 10 1 FHCF CCOC(=O)Cc1oc2c(c1-c1cccs1)C(=O)c1ccccc1C2=O 1857644422 GDPXDZBWIOZFDN-UHFFFAOYSA-N 366.394 3.889 10 1 FHCF O=S1(=O)CC[C@@H](N=Nc2c(O)n(Cc3ccccc3)c3ccccc23)C1 253986811 IIIVRKUATGMARX-OAHLLOKOSA-N 369.446 3.666 10 1 FHCF CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)[nH]n(-c2ccc(C)cc2)c1=O 103842520 LMPRIKZFEVZQQG-UYRXBGFRSA-N 372.428 3.589 10 3 FHCF O=C(N=Nc1c(O)[nH]c2ccccc12)c1ccc(CN2CCOCC2)cc1 299813180 WJVARJRPLXISRE-UHFFFAOYSA-N 364.405 3.630 10 1 FHCF NC(=O)n1nc(-c2ccc(F)cc2)c(/N=N/c2cncc(Cl)c2)c1O 169307464 IRSWCWDLENFJLE-QZQOTICOSA-N 360.736 3.785 10 1 FHCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(Cl)cc2O)N1 962975877 ZGBVAIVUVGXZHD-IAQYHMDHSA-N 374.170 3.666 10 1 FHCF CCC(C)(C)N[C@H]1C(=O)C(=O)[C@@H]1CNc1c(C)cc(Cl)cc1Cl 28465821 FHLIPXSUMCRDJR-BXUZGUMPSA-N 357.281 3.629 10 1 FHCF CC(C)=CCc1cc([C@@H]2CC(=O)[C@H]3C(O)=CC(O)=C[C@H]3O2)cc(O)c1O 2356578779 FAJUNBRFOLDTLS-IPMKNSEASA-N 358.390 3.519 10 1 FHCF COc1cccc(-c2ccc(O)c(CN(C)C[C@H](O)c3ccccc3)c2)n1 14887612 WCYZNTRPZPRTFR-NRFANRHFSA-N 364.445 3.628 10 1 FHCF Fc1ccccc1-c1nnc(CCSC(=S)NCc2cccnc2)o1 653709082 YLHNFAWZCWHSGB-UHFFFAOYSA-N 374.466 3.621 10 1 FHCF O=C(Nc1ccnnc1)c1cc(N2CCCC2)ccc1OCc1ccccc1 1857544636 NFLFGUDQEHTUPE-UHFFFAOYSA-N 374.444 3.908 10 1 FHCF CCOc1ccc(N2CC(c3ccc(C[C@@H](C)NC(C)=O)cc3)C2)cc1 149628436 ZYECNAQTPMZWIP-MRXNPFEDSA-N 352.478 3.756 10 1 FHCF CCN(CC)/[N+]([O-])=N/OCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 36380530 QGNVDNLWZCDGHO-DSGGYQJVSA-N 351.447 3.640 10 1 FHCF COC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1 40374277 QFUOKYZEWZZDLW-CBQOVEMMSA-N 374.484 3.823 10 1 FHCF Nc1ccc(Oc2ccc3nc(Cc4ccc(C(=O)O)cc4N)[nH]c3c2)cc1 587250415 UAPUZBXFOPRDNH-UHFFFAOYSA-N 374.400 3.809 10 1 FHCF Cc1oc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1[N+](=O)[O-] 587269673 YQAAXHLMJZRWTN-UHFFFAOYSA-N 373.324 3.815 10 1 FHCF O=C(N[C@H]1CCN(Cc2ccccc2O)C1)c1ccc(Cl)c(Cl)c1 45195079 QMYPPRYWDAKFSH-AWEZNQCLSA-N 365.260 3.703 10 1 FHCF COc1ccc2c(c1)[C@H](c1ccc([N+](=O)[O-])c(OC)c1O)N(C(C)C)CC2 962085976 CHJUPDHWJZNFCT-SFHVURJKSA-N 372.421 3.674 10 1 FHCF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(C(F)(F)F)cc1 1772633918 CLGJLDLSUJZKEK-XBXARRHUSA-N 352.308 3.916 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2O)N1 587831842 IHQHDCXSKKEENI-AYVTZFPOSA-N 352.203 3.623 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(O)c2O)N1 587821078 GOCUEVCXLJDERJ-VVVCHXIZSA-N 366.230 3.797 10 1 FHCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(CN3CCCC3)c1)O2 587392584 BYVMUMHWUUXKSC-QFIPXVFZSA-N 366.461 3.759 10 1 FHCF COc1ccc2c(c1)[C@@H](c1ccc([N+](=O)[O-])c(OC)c1O)N(C(C)C)CC2 962085975 CHJUPDHWJZNFCT-GOSISDBHSA-N 372.421 3.674 10 1 FHCF CON/C=C\[C@]1(c2ccccc2O)NCCc2c(Cl)cc(Cl)cc21 963102541 FMZMNCUNWVGAKT-YPLUBFQTSA-N 365.260 3.753 10 1 FHCF CC1=NN(C(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2O)C1 71341802 CPPBWRVQHBHKKI-KRWDZBQOSA-N 353.378 3.583 10 1 FHCF CCN(CC)C[C@@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1 40847947 HSRHHVXQMYMAMF-OAQYLSRUSA-N 368.521 3.721 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(O)ccc2O)N1 587822035 LDGGQKKLMRUBJC-VVVCHXIZSA-N 366.230 3.797 10 1 FHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(N)ccnc3[nH]1)[C@H]1CC=C[C@@H]21 587276050 ILJDYUKDYXHJRZ-WQGACYEGSA-N 362.393 3.583 10 1 FHCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc([N+](=O)[O-])cc(O)c2O)N1 962947050 MTYPEADQIAJMLL-MLCYQJTMSA-N 353.378 3.501 10 1 FHCF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)c(O)c4)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356337252 WRFCXWWPRNBPHO-CVVNDDPXSA-N 366.457 3.992 10 1 FHCF COc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3ccccc3O)C2)cc1OC 4729391 VFMYTZIUNYXPKQ-DYESRHJHSA-N 354.450 3.915 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2O)N1 587823043 SEKWMFUIBPNYST-XYZCENFISA-N 366.230 3.797 10 1 FHCF COc1cc([C@H]2Oc3cc(C)c(C)cc3C(=O)C2=O)ccc1N1CCCC1 957747926 CYUSSNBHROZHCG-JOCHJYFZSA-N 365.429 3.798 10 1 FHCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc([N+](=O)[O-])cc(O)c2O)N1 962947057 MTYPEADQIAJMLL-YPMLDQLKSA-N 353.378 3.501 10 1 FHCF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cc(-c3ccccc3)ccc1O)NCC2 962926992 CPIHDXSCILDQEK-HSZRJFAPSA-N 372.468 3.996 10 1 FHCF CN(C)CCOc1ccc2ccc3c4c(nnc3c2c1)-c1ccccc1C4=O 1772579727 DPFSCHMSGGGEFC-UHFFFAOYSA-N 369.424 3.935 10 1 FHCF O=C1c2ccccc2C(=O)N1c1ccccc1CCc1ccc(O)c(O)c1 45289866 ZHKKNZUQHSYYIA-UHFFFAOYSA-N 359.381 3.684 10 1 FHCF CC[C@]1(c2ccc(F)cc2O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962707615 IRVBCZQSJPEJFV-QAPCUYQASA-N 367.342 3.831 10 1 FHCF O=C(O)c1cc(N=Nc2ccc3ccc(S(=O)(=O)O)cc3c2)ccc1O 606525700 GZLMDOBKDBDAJF-UHFFFAOYSA-N 372.358 3.906 10 1 FHCF biogenic CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(N(C)C)c3ccccc13)NCC2 962929792 XPMSNRZPCTVMAE-HSZRJFAPSA-N 373.500 3.843 10 1 FHCF COC(=O)c1cccc2c[n+]3ccc4c([nH]c5cccc(OC)c54)c3c(O)c12 14613129 TUELKDDPIQTWJJ-UHFFFAOYSA-O 373.388 3.714 10 1 FHCF O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccccc1 1857593368 GTSGHFLUMMRPPQ-MHWRWJLKSA-N 357.431 3.910 10 1 FHCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(Cl)ccc2N(C)[C@H]31 95557017 SUZPNKHCFDCCIU-IBGZPJMESA-N 367.836 3.977 10 1 FHCF COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587807816 NQQSQLOIATYCAU-JDNHERCYSA-N 366.230 3.926 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(O)ccc2O)N1 587822037 LDGGQKKLMRUBJC-XYZCENFISA-N 366.230 3.797 10 1 FHCF CCOC(=O)c1c(C)[nH]c(/N=N/c2cc(C(=O)O)cc(C(=O)O)c2)c1C 13637781 VAQXTCJUNSCZIN-FMQUCBEESA-N 359.338 3.620 10 1 FHCF CNC(=O)c1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc12 27524759 JZWCCQIXTIDJNO-UHFFFAOYSA-N 372.428 3.566 10 1 FHCF O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1F 40394622 PTOSAQQZXXTHQU-YRNVUSSQSA-N 351.164 3.594 10 1 FHCF Nc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1F 587139689 QGFLGSPJRKHOMC-UHFFFAOYSA-N 357.344 3.727 10 1 FHCF CCCc1cc(C(=O)OCC(=O)NCc2ccc(N(C)C)cc2)sc1C 7096690 NHSXMOWZDPXNHZ-UHFFFAOYSA-N 374.506 3.548 10 1 FHCF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(O)c2)N1 587823922 XGJJVHLBNKZIOD-PWJLMRLQSA-N 352.203 3.623 10 1 FHCF O=C(N[C@H]1CCCCN(Cc2ccccc2O)C1)c1cccc(Cl)c1 45211007 HJMDXWUXGMCUCS-SFHVURJKSA-N 358.869 3.830 10 1 FHCF COC(=O)c1c(O)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O 28569303 OCXJRPOTYTVZID-UHFFFAOYSA-N 372.332 3.854 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(O)ccc2O)N1 587822034 LDGGQKKLMRUBJC-HUTHGQBESA-N 366.230 3.797 10 1 FHCF Cc1ccc(NCC(=O)/N=N\c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 13123393 GVMHPCPIXHITNH-MRCUWXFGSA-N 353.338 3.813 10 1 FHCF Nc1ccc(CNc2nc(-c3cc(O)c(O)c(O)c3)nc3ccccc23)cc1 58592440 AHKYTOIQABNQHJ-UHFFFAOYSA-N 374.400 3.608 10 1 FHCF COc1ccc([C@H]2COc3c(ccc(O)c3CC=C(C)C)C2=O)c(O)c1O 14762853 JCQXUPLVXUGUEL-OAHLLOKOSA-N 370.401 3.680 10 1 FHCF biogenic O=c1oc(/C=C/c2ccc(O)c(O)c2)cc2oc3cc(O)c(O)cc3c12 71341228 RXORBHSDVJWVOW-HNQUOIGGSA-N 352.298 3.532 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2O)N1 587821851 KDDAZYMTAABUMV-PWJLMRLQSA-N 352.203 3.623 10 1 FHCF O=C(O)c1ccc(/C=C2\SC(=S)N(Cc3cccc(F)c3)C2=O)cc1 1911575880 LRHMMUWUZQLQGV-DHDCSXOGSA-N 373.430 3.925 10 1 FHCF COc1cc2c3c(c1)O[C@H](c1c(C)n(C)c4ccc(OC)cc14)[C@@H](C2)C3=O 587431471 PAEVKXUBILNAEX-AOMKIAJQSA-N 363.413 3.993 10 1 FHCF Cc1ccc2c(C(=O)CCSC(=S)NCc3cccnc3)c[nH]c2n1 1857546184 MWDGEHNWSHTRPC-UHFFFAOYSA-N 370.503 3.647 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2O)N1 587821640 JDYCTRQUABLUBR-VPTHRUTESA-N 352.203 3.623 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C=O)c2O)N1 587834554 SEMKQIHUDIBRSQ-ABKXIKBNSA-N 364.214 3.730 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N)c2O)N1 587751401 YJPCHSBETGNRFA-HUTHGQBESA-N 365.246 3.674 10 1 FHCF Cc1c(O)ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587823484 UOEWRCPIKHPCAR-ZKANADHPSA-N 366.230 3.931 10 1 FHCF CCOc1ccc([C@@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c(O)c1 962635647 MCZKYHYAZWGFBE-FPTDNZKUSA-N 371.477 3.948 10 1 FHCF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(O)c3[C@@H](C)N1CC2 85996834 OFHYKBHNENOGPU-WBMJQRKESA-N 355.434 3.635 10 1 FHCF biogenic,in-vitro CC(C)CNC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12 61691666 XXTHSYNVJYXUIQ-XEZPLFJOSA-N 354.372 3.811 10 1 FHCF Cc1ccc(O)c(CN[C@@H]2CCCC[C@H]2NCc2cc(C)ccc2O)c1 140776816 WYIBCHJBHVMVQX-WOJBJXKFSA-N 354.494 3.905 10 1 FHCF CC1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@H](c2ccc(O)c(O)c2)C3)O1 95589175 OKBYFUVHBYUMAP-GFCCVEGCSA-N 352.386 3.900 10 1 FHCF biogenic Cc1cc(Br)c2nc(-c3ccc(N(C)CCO)cc3)[nH]c2c1 587192932 LDMIPZSWQMGQIT-UHFFFAOYSA-N 360.255 3.729 10 1 FHCF Cc1cccc(OCC(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c1 13635092 QHQAUDPJHMOSMR-FMQUCBEESA-N 354.322 3.779 10 1 FHCF COc1cccc2c1[C@H](C)C[C@H](O)[C@@H]2c1ccc2c(c1O)[C@H](C)N[C@H](C)C2 2356703439 CJSBULIESOFFFZ-IWQQEFEESA-N 367.489 3.996 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N)ccc2O)N1 587747363 PZKFHGKPYQTZDE-XYZCENFISA-N 365.246 3.674 10 1 FHCF CCOC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccc(C)n3C)cc1)N2 169359316 TXACAODLYQXGHT-YOUFYPILSA-N 352.478 3.788 10 1 FHCF COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(N(C)C)cc2)cc1OC 169723245 HPWUVSNGQZOJJR-LSDHQDQOSA-N 367.409 3.869 10 1 FHCF CN1[C@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1cccc(O)c1O 2356330728 UUCZXFFJDVBFML-FIKGOQFSSA-N 369.461 3.647 10 1 FHCF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3)C2)cc1 142226576 GOVXBLMYKAUGOI-HNNXBMFYSA-N 366.461 3.693 10 1 FHCF CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)C2 58566859 AAMHKUSHZPJSMY-FEAYWXOISA-N 361.394 3.777 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)cc2O)N1 587742934 BWEYGDBMFXUKES-VVVCHXIZSA-N 365.246 3.674 10 1 FHCF Cc1cc(O)c2c(c1)C(=O)c1c(oc3c1c(=O)oc1cccc(C)c13)C2=O 13410002 ITBVMLGZYFLEOG-UHFFFAOYSA-N 360.321 3.637 10 1 FHCF biogenic CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1[N+](=O)[O-])C2 169290303 DZJLZIATUZYNSZ-GCIWGYJASA-N 361.394 3.777 10 1 FHCF Cc1oc2c(c1C(=O)Nc1cccc(Cl)c1)C(=O)c1ncccc1C2=O 1857636101 HILPMYQUXMERGV-UHFFFAOYSA-N 366.760 3.664 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)ccc2O)N1 587822391 NTQAUEHGUARKRX-XLFHBGCDSA-N 364.214 3.730 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(O)ccc2O)N1 587823859 WWHIOKDGMGORSG-XLFHBGCDSA-N 366.230 3.797 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)cc2O)N1 587742932 BWEYGDBMFXUKES-HUTHGQBESA-N 365.246 3.674 10 1 FHCF COc1ccc2c(c1O)O[C@@H]1c3cc(CC=C(C)C)c(O)c(O)c3OC[C@H]21 31170052 CCJZMFCTSISMAP-AUUYWEPGSA-N 370.401 3.930 10 1 FHCF biogenic O=C(/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1[N+](=O)[O-] 13570895 KHDUAPDCGLRQTD-ISLYRVAYSA-N 355.266 3.614 10 1 FHCF O=C1c2c(cc3oc4cc(O)c(O)cc4c3c2O)O[C@@H]1Cc1ccccc1 1857753123 MHBUWGSPFLVWJP-QGZVFWFLSA-N 362.337 3.889 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N)ccc2O)N1 587747361 PZKFHGKPYQTZDE-XLFHBGCDSA-N 365.246 3.674 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2O)N1 587822654 QAEJNIMFPSWSLH-VPTHRUTESA-N 352.203 3.623 10 1 FHCF COc1cc(/C=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)cc(OC)c1OC 28115135 DKDALCYLSRCNMZ-VOTSOKGWSA-N 358.394 3.857 10 1 FHCF Nc1ccc(Oc2ccc3nc(-c4cccc(N)c4C(=O)O)[nH]c3c2)cc1 587250364 NKAHLMYIOZJBSB-UHFFFAOYSA-N 360.373 3.885 10 1 FHCF NS(=O)(=O)c1ccc(N=Nc2c(O)[nH]c3ccc(Cl)cc23)cc1 618008694 ZERGASSJZLEYGD-UHFFFAOYSA-N 350.787 3.590 10 1 FHCF O=C(O)CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2)SC1=S 84668925 FHEDZVAFVVEWMU-YHYXMXQVSA-N 362.259 3.669 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2O)N1 587831848 IHQHDCXSKKEENI-VXJOIVPMSA-N 352.203 3.623 10 1 FHCF COc1cccc(O)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587808213 PPCVAYHCIVNTSQ-XLFHBGCDSA-N 366.230 3.926 10 1 FHCF COc1ccc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587810172 SPWFIEAITWPLTE-XYZCENFISA-N 366.230 3.926 10 1 FHCF O=C(/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)OC12CC3CC(CC(C3)C1)C2 205261976 AHPPXNKJKYVVRY-OWOJBTEDSA-N 359.378 3.531 10 1 FHCF C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCN=[N+]=[N-] 473135411 IAPMKRQBGAKROX-UHFFFAOYSA-O 351.408 3.867 10 1 FHCF COC(=O)c1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2n1C 587390428 MYAUMEHVDMPNHG-QGZVFWFLSA-N 364.401 3.562 10 1 FHCF O=C(Nc1cccc(C(=O)C(=O)c2ccccn2)c1)c1ccc(F)c(F)c1 66258284 VKADJXFVMMMPTO-UHFFFAOYSA-N 366.323 3.678 10 1 FHCF COc1cccc2c1C(=O)c1c(ccc(CC(C)C)c1OC(C)=O)C2=O 29337042 VLSXFEAWJSBMIT-UHFFFAOYSA-N 352.386 3.594 10 1 FHCF COc1cc(/C=C/c2nc3c(Cl)c(Cl)cnc3[nH]2)cc(O)c1O 587784580 AVXXUGATPBQCHY-NSCUHMNNSA-N 352.177 3.855 10 1 FHCF O=C1C[C@H](c2cc(O)c(O)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587511219 NXYSZLSKFIIRTJ-QGZVFWFLSA-N 355.346 3.591 10 1 FHCF CCOc1ccc(S(=O)(=O)N=Nc2c(O)n(C)c3ccccc23)cc1 617980978 FHVIBIAXPQNWIC-UHFFFAOYSA-N 359.407 3.755 10 1 FHCF COc1cc(O)c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c(OC)c1 963126887 XQRZSSDGIRFKSD-QGZVFWFLSA-N 354.233 3.951 10 1 FHCF O=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)n1Cc1cc(Cl)ccc1O 13558792 SPFJPOMTKDGCDL-UHFFFAOYSA-N 369.730 3.665 10 1 FHCF CCn1c(O)c(/N=N/C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 101548326 PPVHKMIJHFIHND-QZQOTICOSA-N 365.315 3.893 10 1 FHCF NC1=NC(=O)/C(=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)S1 223086322 UCIUWYIJNVMZNY-YHYXMXQVSA-N 355.366 3.758 10 1 FHCF COc1ccc(Cc2ccc3c(c2O)C(=O)c2sccc2C3=O)cc1 299835294 XPKUNYZAGDYJAT-UHFFFAOYSA-N 350.395 3.829 10 1 FHCF CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H]2CO2)c2ccccc12 653717418 BITOZHBNPBVWRY-JLWFYQMASA-N 357.413 3.846 10 1 FHCF O=c1[nH]c(=S)[nH]c(=O)[c-]1/N=N/c1ccc(-c2ccccc2)cc1[N+](=O)[O-] 169688582 HGYLMFDNVREPIJ-FMQUCBEESA-N 368.354 3.502 10 1 FHCF CC(C)[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 2934908 YSGDWOSKKNMNOF-LAUBAEHRSA-N 352.434 3.768 10 1 FHCF COc1cccc2c1[C@@H](C)C[C@@H](O)[C@H]2c1ccc2c(c1O)[C@@H](C)N[C@H](C)C2 95486319 CJSBULIESOFFFZ-ZBEYHTLISA-N 367.489 3.996 10 1 FHCF biogenic,in-vitro COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587808745 QQKUFFZFCYNMIZ-FVMDXXJSSA-N 366.230 3.926 10 1 FHCF CCC(C)(C)N[C@@H]1C(=O)C(=O)[C@H]1CNc1c(C)cc(Cl)cc1Cl 28465834 FHLIPXSUMCRDJR-FZMZJTMJSA-N 357.281 3.629 10 1 FHCF COc1cc(O)c([C@H]2CCCCN2)c2oc(-c3ccccc3)cc(=O)c12 15114141 NCKUKESTUWVGFY-CQSZACIVSA-N 351.402 3.989 10 1 FHCF biogenic COc1ccc2c(c1O)O[C@H]1c3cc(CC=C(C)C)c(O)c(O)c3OC[C@H]21 31170046 CCJZMFCTSISMAP-KUHUBIRLSA-N 370.401 3.930 10 1 FHCF biogenic COc1ccc(C2=C[C@@]3(OC)C(=O)c4ccccc4C(=O)[C@H]23)c2cccnc12 96934672 NZRHBTNEIUVNDK-CVDCTZTESA-N 371.392 3.721 10 1 FHCF CC[C@@H](C)CCc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O 28825650 HEDHRNVPPGVLPS-SNVBAGLBSA-N 368.385 3.550 10 1 FHCF CCOc1ccc(N2CC(Oc3ccc([C@@H](C)NC(C)=O)cc3)C2)cc1 142277774 PYMIBEHOGAKRBK-OAHLLOKOSA-N 354.450 3.550 10 1 FHCF Cc1ccc2nc(C)cc(Nc3ccc(C4=NNC(=O)CC4)c(O)c3)c2c1 29064305 VVHMMSPJBUPVTI-UHFFFAOYSA-N 360.417 3.915 10 1 FHCF CC(C)n1c2c([n+](C)c1/C=C/c1ccccc1)C(=O)c1ccccc1C2=O 17353741 ORCFQPUUSLLWHC-BUHFOSPRSA-N 357.433 3.839 10 1 FHCF Cc1cccc2nc3c(nc12)c(C(=O)NCCN(C)C)cc1ccccc13 13586922 ANVIERUTMMGRKK-UHFFFAOYSA-N 358.445 3.536 10 1 FHCF COC(=O)c1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2n1C 587390426 MYAUMEHVDMPNHG-KRWDZBQOSA-N 364.401 3.562 10 1 FHCF Nc1ccc(Oc2ccc3nc(-c4cc(N)cc(C(=O)O)c4)[nH]c3c2)cc1 587249969 UYPFEZYRVMXADN-UHFFFAOYSA-N 360.373 3.885 10 1 FHCF O=C(O)CN1C(=O)/C(=C/c2csc3ccc(Cl)cc23)SC1=S 84670076 MLUFAPWPCYDSJX-JYOAFUTRSA-N 369.876 3.841 10 1 FHCF CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3ccc(C)n3C)cc1)N2 253740038 TXACAODLYQXGHT-HUUJSLGLSA-N 352.478 3.788 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)ccc2O)N1 587821770 JXGZWGFISSKVOV-XYZCENFISA-N 364.214 3.730 10 1 FHCF C[C@H]1Oc2cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c(O)c2C1(C)C 43076877 TZSQNOYZVLLQQY-SECBINFHSA-N 354.358 3.635 10 1 FHCF biogenic CN(CCO)c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 587192766 CCLWPQDADVZHHC-UHFFFAOYSA-N 364.218 3.560 10 1 FHCF CC[C@H](C)CCc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O 28825651 HEDHRNVPPGVLPS-JTQLQIEISA-N 368.385 3.550 10 1 FHCF CN(C)c1cc(/N=N/Cc2ccccc2C(F)(F)F)nc(N(C)C)n1 169692366 DFRJGQAZIFFOFV-BSYVCWPDSA-N 352.364 3.911 10 1 FHCF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(O)c1O)C[C@H](C)[C@@H](C)C2 2356681352 QQVWVILUXJOLFZ-QWRGUYRKSA-N 374.433 3.867 10 1 FHCF COc1ccc(C(=O)Nc2cc3c(s2)C(=O)c2ccccc2C3=O)cc1 1772600001 DFUVUEZFSKKXHA-UHFFFAOYSA-N 363.394 3.784 10 1 FHCF COc1cc(/C=C/c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(O)c1O 587786270 SEGLAZMYJPNIJT-NSCUHMNNSA-N 352.177 3.855 10 1 FHCF CC=Cc1ccc(O[C@@H](C)[C@H](O)c2cc(O)c(O)c(OC)c2)c(OC)c1 2356459337 INSULPXEVFMFIK-BUXKBTBVSA-N 360.406 3.649 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N)c2O)N1 587746962 JVWLFQSLEAJYPE-XYZCENFISA-N 365.246 3.674 10 1 FHCF Cc1c(OCC(=O)O)cc2c(c1Cl)C(=O)[C@](C)(C1CCCC1)C2=O 27902951 MLMSBCVRDXACQF-GOSISDBHSA-N 350.798 3.687 10 1 FHCF CCCCC[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 85624723 MESWYTDQLWSQAY-MRXNPFEDSA-N 352.427 3.510 10 1 FHCF biogenic,in-vitro O=S(=O)(O)c1cc(O)c(N=Nc2ccc(O)cc2O)c2ccccc12 261121893 JQBUVPRAKRZKRZ-UHFFFAOYSA-N 360.347 3.619 10 1 FHCF Cc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587822047 LEPAKFYIEQBGTG-VVVCHXIZSA-N 366.230 3.931 10 1 FHCF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc2cccnc2c1O 963607353 JQRORFHEXSFLOA-YUNKPMOVSA-N 350.418 3.581 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2O)N1 587822935 RTFPNICGMKSDJE-VPTHRUTESA-N 352.203 3.623 10 1 FHCF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc(-c3ccccc3)ccc1O)NCC2 962926995 CPIHDXSCILDQEK-QHCPKHFHSA-N 372.468 3.996 10 1 FHCF Oc1ccc(-c2cncnc2)cc1CNC1CCN(Cc2ccccc2)CC1 12054384 VGYLGENXCVNILI-UHFFFAOYSA-N 374.488 3.603 10 1 FHCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc4c(c3)OCCO4)C2)cc1 96172826 HXVFBHFAJLPCDX-OAHLLOKOSA-N 367.445 3.808 10 1 FHCF CN1c2ccccc2Sc2ccc([C@@]3(O)CN4CCCC[C@@H]4CO3)cc21 169307098 VAPWSXKEANDDSP-IIBYNOLFSA-N 368.502 3.949 10 1 FHCF CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCc1ccc(O)c(O)c1 1857750104 JCKVCPGFUVTECM-UHFFFAOYSA-N 350.798 3.695 10 1 FHCF O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2cc(O)c(O)cc12 103227662 LWRJRTNRTFFGPK-UHFFFAOYSA-N 364.445 3.717 10 1 FHCF CN1C[C@H](CNC(=O)c2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 103297509 OFXSILNGLBNZGN-SAWYMBPVSA-N 373.500 3.568 10 1 FHCF Cc1c(O)ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587823018 SBXVPVPMORJDLR-BCTVWOGZSA-N 366.230 3.931 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(O)c2)N1 587821865 KGJFWLLNTWXMHM-ZKANADHPSA-N 352.203 3.623 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N)ccc2O)N1 587744793 IOMAJXXXQDBBMX-XLFHBGCDSA-N 365.246 3.674 10 1 FHCF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1Br 1772616314 NVAQWVBUNAQDBR-SOFGYWHQSA-N 363.207 3.659 10 1 FHCF C/C=C1\CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C\O)C(=O)OC 100583782 WKWHYFHGTWZCLM-DRSRZMHUSA-N 352.434 3.648 10 1 FHCF CCOC(=O)[C@]1(C)C(/N=N\c2ccccc2)=C(O)C(=O)N1c1ccccc1 102541367 FELVFPOIGITSMT-RZRVEKSFSA-N 365.389 3.909 10 1 FHCF Nc1nn2c(O)cc(-c3ccccc3)nc2c1N=Nc1ccc2c(c1)OCO2 253531721 BFAICKCFCBOWKB-UHFFFAOYSA-N 374.360 3.828 10 1 FHCF Nc1nn2c(O)cc(-c3ccccc3)nc2c1/N=N/c1ccc2c(c1)OCO2 101681159 BFAICKCFCBOWKB-GHVJWSGMSA-N 374.360 3.828 10 1 FHCF O=C1c2c(O)cccc2C(CCc2ccc(O)c(O)c2)c2cccc(O)c21 26970633 GGWSTYDTYLYPEY-UHFFFAOYSA-N 362.381 3.818 10 1 FHCF CCCN(Cc1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(O)c1 27758964 OAERDUPJMQSPOO-UHFFFAOYSA-N 361.438 3.843 10 1 FHCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@]23CCCC(C)(C)[C@H]2[C@@H]1OC3=O 104368262 XNPVHIQPSAZTLC-NEYJZJCJSA-N 360.450 3.912 10 1 FHCF in-man Cc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587821049 GMOKMFTUJJDMFR-XLFHBGCDSA-N 366.230 3.931 10 1 FHCF S=C(NCc1cccnc1)SCCc1nnc(-c2cccs2)o1 653709017 JQFRJCQZEGNQFX-UHFFFAOYSA-N 362.505 3.544 10 1 FHCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(O)c1 587611756 UBDQLANUAIGIEU-PXNSSMCTSA-N 350.326 3.506 10 1 FHCF COc1cc(/C=C\c2nc3cc(C(F)(F)F)ncc3[nH]2)cc(O)c1O 587784974 GMMLTQAMDJJQQA-IHWYPQMZSA-N 351.284 3.567 10 1 FHCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1O 587605524 APLZIQDFPQYWJK-OXJNMPFZSA-N 350.326 3.506 10 1 FHCF O=C(Cn1ccnc1/N=N/c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 1772631578 GNKUVJXNRHAAST-QZQOTICOSA-N 356.386 3.656 10 1 FHCF CN1CCCC[C@H]1c1c(O)cc2c(c1O)C(=O)C[C@H](c1ccccc1)O2 14919722 WPYCQKPTEOGNOH-WMLDXEAASA-N 353.418 3.961 10 1 FHCF biogenic COc1cc(/C=C/c2nc3c(Cl)cnc(Cl)c3[nH]2)cc(O)c1O 587786401 TUTMOHSYJLVLTJ-NSCUHMNNSA-N 352.177 3.855 10 1 FHCF CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OC4CC4)cc3)C2)cc1 149626322 HPBXSFCQNLSDEZ-INIZCTEOSA-N 364.489 3.899 10 1 FHCF CCc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)N(C)C2=S)cc1 653840591 FEQBFJABEFHTOQ-RGEXLXHISA-N 365.502 3.919 10 1 FHCF CCN(c1ccc(O)c(CN2CCCCC2)c1)c1ccc([N+](=O)[O-])cn1 45302954 AQQCRFKSMKQZII-UHFFFAOYSA-N 356.426 3.839 10 1 FHCF COc1ccc2c(c1OC)[C@]1(CCc3ccc(C)c(O)c31)N(C)[C@@H](C)C2 962616777 AOWKXZGJQCYMRF-RCDICMHDSA-N 353.462 3.784 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2O)N1 587822342 NDPFFIIQSDDTGH-XLFHBGCDSA-N 366.230 3.797 10 1 FHCF COc1ccccc1N1C(=N)SC(=Cc2ccc(N(C)C)cc2)C1=O 1857621652 PHODNEQLGQTFOL-UHFFFAOYSA-N 353.447 3.817 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2O)N1 587823485 UOLXSDCRTBXMQH-HUTHGQBESA-N 366.230 3.797 10 1 FHCF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1ccc(N2CCOCC2)cc1 963257438 KFFYVQBJMIHOKS-NRFANRHFSA-N 372.896 3.594 10 1 FHCF CCOC(=O)c1[nH]c(/C=C/c2ccc(N(C)C)cc2)c(C(=O)OCC)c1C 103223673 SUDQIZJHJILNGR-JLHYYAGUSA-N 370.449 3.913 10 1 FHCF COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(O)c1O 587786969 ZABYCBWQBSTIMG-IHWYPQMZSA-N 361.741 3.715 10 1 FHCF NC(=O)c1cccc2c(Nc3ccc(C(=O)O)cc3)c3ccccc3nc12 26843382 WSGUNAGKVXIIAV-UHFFFAOYSA-N 357.369 3.929 10 1 FHCF COc1cccc2c1c(Cl)c([N+](=O)[O-])c1c(C(=O)O)cc(O)c(O)c12 45375064 VCNGTVPMEVKOFO-UHFFFAOYSA-N 363.709 3.673 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cccc2O)N1 587823540 UVBSKTLPZYPZHJ-HUTHGQBESA-N 366.230 3.797 10 1 FHCF Oc1ccc([C@@H]2CN(CC3CC3)CCc3c2cc(O)c(O)c3Cl)cc1 27769965 SIILMBVTDICKJR-KRWDZBQOSA-N 359.853 3.857 10 1 FHCF COc1ccc(C2=C[C@@]3(OC)C(=O)c4ccccc4C(=O)[C@@H]23)c2cccnc12 103152075 NZRHBTNEIUVNDK-XXBNENTESA-N 371.392 3.721 10 1 FHCF Nc1ccc(Oc2ccc3nc(CS(=O)(=O)C4CCCC4)[nH]c3c2)cc1 586924659 SRRZFSCMEGNLEA-UHFFFAOYSA-N 371.462 3.795 10 1 FHCF CC(C)c1csc(-c2nnc3n2N[C@@H](c2ccc(N(C)C)cc2)S3)n1 64436617 CNWVCGGHXMVXEZ-OAHLLOKOSA-N 372.523 3.939 10 1 FHCF CC(C)(SCC(=O)O)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586959023 LAGUNAYCJQNPQE-UHFFFAOYSA-N 357.435 3.990 10 1 FHCF CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)CC2=O 5854467 XJUDJFVOICLOMY-SFHVURJKSA-N 356.374 3.724 10 1 FHCF biogenic,in-vitro Oc1ccc(Cl)cc1CN1CCN(Cc2cc(Cl)ccc2O)C1 19319313 WXTWKGUACFYGQQ-UHFFFAOYSA-N 353.249 3.680 10 1 FHCF COc1ccc(C2=C[C@]3(OC)C(=O)c4ccccc4C(=O)[C@@H]23)c2cccnc12 96934674 NZRHBTNEIUVNDK-AUSIDOKSSA-N 371.392 3.721 10 1 FHCF Cc1ccccc1NCC(=O)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 253979435 QBJCHSGAIMGKLZ-UHFFFAOYSA-N 353.338 3.813 10 1 FHCF Cc1ccccc1NCC(=O)/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 102601206 QBJCHSGAIMGKLZ-MRCUWXFGSA-N 353.338 3.813 10 1 FHCF O=C(Oc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O 12352696 DZGFZWXTFNJNOJ-UHFFFAOYSA-N 351.358 3.635 10 1 FHCF CC=Cc1ccc(O[C@@H](C)[C@@H](O)c2cc(O)c(O)c(OC)c2)c(OC)c1 2356459339 INSULPXEVFMFIK-HXPMCKFVSA-N 360.406 3.649 10 1 FHCF CCOc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685238 HWRRCBZCWWJLQZ-WJTDDFOZSA-N 359.393 3.893 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N)c2O)N1 587751404 YJPCHSBETGNRFA-XYZCENFISA-N 365.246 3.674 10 1 FHCF Cc1ccc(O)c([C@]2(c3ccccc3)NCCc3c(C(=O)O)cccc32)c1 963132707 CCIVWGQLSVBAKQ-HSZRJFAPSA-N 359.425 3.836 10 1 FHCF COc1cc2c(c3c1C=CC(C)(C)O3)C(=O)c1c(O)cc(C)cc1C2=O 238762470 PPEVCYUZSQBRDS-UHFFFAOYSA-N 350.370 3.669 10 1 FHCF Cc1cc(O)cc(O)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587822740 QNSZBKQYURXCSQ-HUTHGQBESA-N 366.230 3.931 10 1 FHCF Cc1cc([C@H]2NC(=O)c3ccccc3N2)c(C)n1-c1ccc2c(c1)OCO2 9740498 VJQFREFUHIWYRG-HXUWFJFHSA-N 361.401 3.677 10 1 FHCF Cc1c(O)c2c(c(O)c1C(=O)CCC(C)C)C(=O)c1c(O)cccc1C2=O 95574778 PKWTYZNHEWSFNN-UHFFFAOYSA-N 368.385 3.506 10 1 FHCF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2O)N1 587821850 KDDAZYMTAABUMV-BCTVWOGZSA-N 352.203 3.623 10 1 FHCF CC(=O)NC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(O)c(O)c12 1857576830 SGXBLSSUEQPQLR-KSFYIVLOSA-N 373.493 3.894 10 1 FHCF CN(C)c1nc(/N=N/Cc2ccccc2O)nc(Nc2ccc(F)cc2)n1 169691911 WOLIRQKMJHQCLN-LKUDQCMESA-N 367.388 3.810 10 1 FHCF Oc1cccc(C/N=N/c2cc(N3CCCC3)nc(N3CCCC3)n2)c1 169690114 HYWJTLYOGDKCED-BSYVCWPDSA-N 352.442 3.667 10 1 FHCF CC1(C)CCC(NC(=O)c2cc3c(o2)C(=O)c2ccccc2C3=O)CC1 1857574813 HPGNDGBXUJKDGD-UHFFFAOYSA-N 351.402 3.754 10 1 FHCF Cc1oc2c(c1C(=O)Oc1ccc(Cl)cc1)C(=O)c1ncccc1C2=O 1857634098 HAFFUFPVKRRJOV-UHFFFAOYSA-N 367.744 3.631 10 1 FHCF CCCCOCc1cc(O)c(O)c(Br)c1Br 2356799987 PNQVMVCJLJMZFZ-UHFFFAOYSA-N 354.038 3.940 10 1 FHCF O=C(O)CCc1ccc(-c2cccs2)n1-c1cc(O)cc(C(=O)O)c1 587925030 DLVKFHOFFCFHQH-UHFFFAOYSA-N 357.387 3.627 10 1 FHCF O=C(O)CN1C(=O)/C(=C/c2cccc3c2oc2ccccc23)SC1=S 62233403 OGSMONDZJYBMGH-ZSOIEALJSA-N 369.423 3.872 10 1 FHCF COc1cc(/C=C/c2nc3cccc(Br)c3[nH]2)cc(O)c1O 587787125 ZXSMXDOPYSXANH-AATRIKPKSA-N 361.195 3.916 10 1 FHCF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc2cccnc2c1O 963607351 JQRORFHEXSFLOA-ODXCJYRJSA-N 350.418 3.581 10 1 FHCF CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H]2CO2)c2ccccc12 653717419 BITOZHBNPBVWRY-PQFHHTBUSA-N 357.413 3.846 10 1 FHCF COc1cccc(O)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587808212 PPCVAYHCIVNTSQ-VVVCHXIZSA-N 366.230 3.926 10 1 FHCF CC[C@@]1(c2c(O)cccc2F)NCCc2cc3cccc(OC)c3nc21 963060817 XDFRDPWITZSJGP-NRFANRHFSA-N 352.409 3.887 10 1 FHCF O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 28359407 QLTPQALISSOLCM-GDNBJRDFSA-N 355.440 3.786 10 1 FHCF NC(=O)N=Nc1c(O)[nH]c2c(Br)cc(Br)cc12 253947122 NGCWNYFZJSMJDC-UHFFFAOYSA-N 361.981 3.561 10 1 FHCF Cc1c(O)ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587823021 SBXVPVPMORJDLR-PWJLMRLQSA-N 366.230 3.931 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cccc2O)N1 587822534 PBKCKOLCXMCXHP-XLFHBGCDSA-N 366.230 3.797 10 1 FHCF Cc1ccnc2c1CCN[C@@H]2c1cc(Cl)c(Br)cc1O 963092724 WQGDWVWNLTVWCB-OAHLLOKOSA-N 353.647 3.747 10 1 FHCF COc1cc(O)c2c(c1)C(=O)c1cc(C)c(/C=C/C(C)C)c(O)c1C2=O 137985264 CIFYDLWUXLYXTP-AATRIKPKSA-N 352.386 3.859 10 1 FHCF Cc1c(OCC(=O)O)cc2c(c1Cl)C(=O)[C@@](C)(C1CCCC1)C2=O 27902944 MLMSBCVRDXACQF-SFHVURJKSA-N 350.798 3.687 10 1 FHCF C/C=C/c1ccc(O[C@@H](C)[C@H](O)c2cc(O)c(O)c(OC)c2)c(OC)c1 205302597 INSULPXEVFMFIK-FNINDUDTSA-N 360.406 3.649 10 1 FHCF Cc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 27860833 ZLISMQWAURNDCF-UHFFFAOYSA-N 358.445 3.536 10 1 FHCF COc1cc(/C=C\c2nc3cc(Cl)c(Cl)nc3[nH]2)cc(O)c1O 587786268 SEGLAZMYJPNIJT-IHWYPQMZSA-N 352.177 3.855 10 1 FHCF O=c1c2ccccc2c(-c2cccnc2)nn1CCSc1nccs1 27326523 UUKHBZHPPCNAPD-UHFFFAOYSA-N 366.471 3.707 10 1 FHCF Cc1cc(Br)cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc12 587192918 KHWOBBVPZNJPSC-UHFFFAOYSA-N 360.255 3.729 10 1 FHCF CN(CCO)c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587192840 GJAYLBAWVVAFFS-UHFFFAOYSA-N 369.428 3.755 10 1 FHCF CCOC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(-c3ccc(C)n3C)cc1)N2 36271200 TXACAODLYQXGHT-WERVVEIQSA-N 352.478 3.788 10 1 FHCF Nc1ccccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205939006 YCRPLWXNXBANAD-UHFFFAOYSA-N 358.323 3.689 10 1 FHCF COc1ccccc1NC1=NC(=O)/C(=C/c2ccc3c(c2)OCCO3)S1 95755391 BRIKJHNLSSOZJE-BOPFTXTBSA-N 368.414 3.549 10 1 FHCF CC(C)(C)c1cc(I)c(O)c(CNC2=NCCC2)c1 27849378 ZVEYWKQRNPKKNM-UHFFFAOYSA-N 372.250 3.576 10 1 FHCF Cc1ccc(NC(=O)Cn2c(O)c(N=NC(N)=S)c3ccccc32)cc1 377871788 HCISABJHKXKDMN-UHFFFAOYSA-N 367.434 3.621 10 1 FHCF COc1ccc2c(c1OC)[C@@]1(CCc3ccc(C)c(O)c31)N(C)[C@H](C)C2 962616773 AOWKXZGJQCYMRF-PEBXRYMYSA-N 353.462 3.784 10 1 FHCF CCOc1cccc(O)c1[C@]1(C)NCCc2cc3cccc(OC)c3nc21 963054503 HKSQMQLDRITTGJ-QFIPXVFZSA-N 364.445 3.757 10 1 FHCF O=C(NCc1ccccn1)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]12 15952410 FYSQIMKFDDFFLD-MPGHIAIKSA-N 373.378 3.871 10 1 FHCF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 586949691 XXZVZAYRTPKOGK-UHFFFAOYSA-N 372.233 3.614 10 1 FHCF O=C(Nc1nnc(-c2cccc(O)c2O)s1)C12CC3CC(CC(C3)C1)C2 1772583384 JTTNOTDDCXPERF-UHFFFAOYSA-N 371.462 3.771 10 1 FHCF O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2cccc3ccccc23)n1 13470146 PJXFJCFLPQNCFQ-UHFFFAOYSA-N 359.337 3.728 10 1 FHCF COc1ccc(C/N=N/c2cc(C)nc(-n3nc(C)cc3C)n2)c(OC)c1 169689469 QEUNOEBVGBOECA-BSYVCWPDSA-N 366.425 3.889 10 1 FHCF COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2N)cc(O)c1O 73200361 APGAQCAKZRMVRV-UHFFFAOYSA-N 350.374 3.608 10 1 FHCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(F)cc1 1772584422 LTROESIHEZEOLU-FQEVSTJZSA-N 361.376 3.918 10 1 FHCF COc1cccc(/N=N/c2c(-c3ccc(OC)c(OC)c3)[nH][nH]c2=O)c1 169723244 TZRVPEOVMZVCFF-XUTLUUPISA-N 354.366 3.811 10 1 FHCF Oc1cc(Br)c(Cc2cc(Br)ccc2O)cc1O 53294291 HIWRJPASIGFNRL-UHFFFAOYSA-N 374.028 3.919 10 1 FHCF COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(O)c3[C@@H](C)N1CC2 85996836 OFHYKBHNENOGPU-MLGOLLRUSA-N 355.434 3.635 10 1 FHCF biogenic COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587807127 JVBRHMIQBUGPDO-XLFHBGCDSA-N 366.230 3.926 10 1 FHCF Oc1ccc(C/N=N/c2cc(N3CCCC3)nc(N3CCCC3)n2)cc1 169690111 KAACMQXCCLGJPW-BSYVCWPDSA-N 352.442 3.667 10 1 FHCF Cc1nn(-c2ccccc2)c(N)c1/N=N\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 111406869 FNANWDHJXQWWSM-HNENSFHCSA-N 367.325 3.995 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(O)c2)N1 587821863 KGJFWLLNTWXMHM-PWJLMRLQSA-N 352.203 3.623 10 1 FHCF O=C(N[C@@H]1CCCCN(Cc2ccccc2O)C1)c1cccc(Cl)c1 45211011 HJMDXWUXGMCUCS-GOSISDBHSA-N 358.869 3.830 10 1 FHCF COc1cc(O)c([C@@H]2CCCCN2)c2oc(-c3ccccc3)cc(=O)c12 15114139 NCKUKESTUWVGFY-AWEZNQCLSA-N 351.402 3.989 10 1 FHCF biogenic COc1ccc(N2CCN(Cc3coc(-c4cccc(C)c4)n3)CC2)cc1 72103010 RYSLOFBESMTKLM-UHFFFAOYSA-N 363.461 3.981 10 1 FHCF Cc1ccc([C@H]2CN(C)CCc3c2cc(O)c(O)c3Br)cc1 89464558 LBIPTTYQIBCFPG-OAHLLOKOSA-N 362.267 3.789 10 1 FHCF C[C@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612467 WARZWRHBQAZXFL-WIYYLYMNSA-N 364.353 3.680 10 1 FHCF Cc1c(O)ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587823024 SBXVPVPMORJDLR-VPTHRUTESA-N 366.230 3.931 10 1 FHCF CN(C)C(=O)c1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 29308636 IXQKRVFWAVISDZ-UHFFFAOYSA-N 371.444 3.998 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2O)N1 587822341 NDPFFIIQSDDTGH-VVVCHXIZSA-N 366.230 3.797 10 1 FHCF COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12 3784106 FECAGPZNMVGWPG-UHFFFAOYSA-N 354.410 3.668 10 1 FHCF COc1ccc2c(c1OC)[C@@H](c1c(O)ccc3cccnc13)N(C)[C@@H](C)C2 962640177 ZECCWMKSIFHAFU-ZSEKCTLFSA-N 364.445 3.923 10 1 FHCF C[C@@H]1Oc2ccc(Br)cc2C=C1/C=C1\SC(=S)NC1=O 95595242 ZCYKABAKRJJWDJ-WSPCNJHZSA-N 368.277 3.645 10 1 FHCF Cc1c(O)ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587823480 UOEWRCPIKHPCAR-BCTVWOGZSA-N 366.230 3.931 10 1 FHCF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(Br)cc1 606563166 LZYCAZXTUVKHNO-XBXARRHUSA-N 363.207 3.659 10 1 FHCF CCN(CC)c1ccc(/C=C2\OC(=O)c3cc(OC)c(OC)cc32)cc1O 2382223828 RCXXHKWNERKHQF-ZDLGFXPLSA-N 369.417 3.924 10 1 FHCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(=N)[nH]cc4[nH]3)cc2)cc1 587195490 KUAWOULBGILXIX-UHFFFAOYSA-N 358.409 3.914 10 1 FHCF Oc1c(CN2CCCC2)cc(Nc2ccncc2)cc1CN1CCCC1 597034 YCZYEYIMCKSFFO-UHFFFAOYSA-N 352.482 3.722 10 1 FHCF COc1ccc(N2CCN(CC[C@@H]3OCCc4ccccc43)CC2)cc1 4618051 IAUNACXRZSWWJT-QFIPXVFZSA-N 352.478 3.521 10 1 FHCF NC[C@@H]1O[C@@H](C(c2ccccc2)c2ccccc2)Cc2c1ccc(O)c2O 26576775 ILWGLMLPVXFDGW-RTWAWAEBSA-N 361.441 3.871 10 1 FHCF Cc1ncsc1CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587027678 FNSUUFRKLGQJSH-UHFFFAOYSA-N 373.437 3.888 10 1 FHCF CN1c2ccc(N3CCC3)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 95555284 MQVVOAOEMFLPFN-OAQYLSRUSA-N 358.445 3.525 10 1 FHCF COc1cccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587931033 LCYFLVACPAYFEH-UHFFFAOYSA-N 368.392 3.938 10 1 FHCF CCN(CC)c1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1 95574554 UGKLCDRWUKCSAK-UHFFFAOYSA-N 361.530 3.856 10 1 FHCF O=S1(=O)CC[C@@H](/N=N/c2c(O)n(Cc3ccccc3)c3ccccc23)C1 96901756 IIIVRKUATGMARX-WGLILOHCSA-N 369.446 3.666 10 1 FHCF CCOC(=O)[C@@]1(C)C(/N=N/c2ccccc2)=C(O)C(=O)N1c1ccccc1 101719570 FELVFPOIGITSMT-SQYHMDOVSA-N 365.389 3.909 10 1 FHCF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587807125 JVBRHMIQBUGPDO-VVVCHXIZSA-N 366.230 3.926 10 1 FHCF C[C@]12CC[C@H]3c4cc(CN5CCOCC5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 17300017 FJWJRQPFLAFCSE-KSPYYYPUSA-N 369.505 3.650 10 1 FHCF S=C(NCc1cccnc1)SCCc1nnc(-c2ccsc2)o1 653709043 OJEJGSRZTZJBOH-UHFFFAOYSA-N 362.505 3.544 10 1 FHCF O=S1(=O)CC[C@H](N=Nc2c(O)n(Cc3ccccc3)c3ccccc23)C1 253986807 IIIVRKUATGMARX-HNNXBMFYSA-N 369.446 3.666 10 1 FHCF Oc1ccc(-c2cnc(-c3cc(O)c(O)cc3Br)o2)cc1O 142487020 RBVMVUMZAZTJJP-UHFFFAOYSA-N 364.151 3.594 10 1 FHCF O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@@H](c2ccc(Cl)cc2)N1 103069615 BBNXHWGLLKARTI-AWEZNQCLSA-N 352.777 3.631 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2O)N1 587822934 RTFPNICGMKSDJE-PWJLMRLQSA-N 352.203 3.623 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N)ccc2O)N1 587744790 IOMAJXXXQDBBMX-HUTHGQBESA-N 365.246 3.674 10 1 FHCF COc1cc(O)c2c(c1)C(=O)c1cc(C)c(C=CC(C)C)c(O)c1C2=O 2356495738 CIFYDLWUXLYXTP-UHFFFAOYSA-N 352.386 3.859 10 1 FHCF O=C(Nc1cccc(N2CCc3c(cnc4ccnn34)C2)c1)c1ccccc1 1772638816 PNZJAEHEVXWISL-UHFFFAOYSA-N 369.428 3.544 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(O)c2O)N1 587821080 GOCUEVCXLJDERJ-XLFHBGCDSA-N 366.230 3.797 10 1 FHCF COc1cccc(CN(C)C(=O)c2cc3ccc(-c4cn[nH]c4)cc3n2C)c1 73195675 WHYNQEXITVKVEG-UHFFFAOYSA-N 374.444 3.849 10 1 FHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(O)c3[nH]1)[C@@H]1CC=C[C@@H]21 587275539 DRAZIYQFPRBXCL-HSMVNMDESA-N 363.377 3.707 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2O)N1 587821852 KDDAZYMTAABUMV-VPTHRUTESA-N 352.203 3.623 10 1 FHCF Cc1ccc(-c2c(O)cc3c(c2O)C(=O)c2c(O)cc(C)cc2C3=O)cc1 1772607819 KUVRCRLXJIQILM-UHFFFAOYSA-N 360.365 3.863 10 1 FHCF CN1c2ccc(Cl)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 95556142 AAVRQBIQRYEIEJ-GOSISDBHSA-N 353.809 3.674 10 1 FHCF CON/C=C/[C@]1(c2ccccc2O)NCCc2c(Cl)cc(Cl)cc21 963102537 FMZMNCUNWVGAKT-PDFOZTTASA-N 365.260 3.753 10 1 FHCF CC=Cc1ccc(O[C@H](C)[C@@H](O)c2cc(O)c(O)c(OC)c2)c(OC)c1 2356459338 INSULPXEVFMFIK-CWTRNNRKSA-N 360.406 3.649 10 1 FHCF O=C(CCc1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 13737769 RCNJNRIRPVQSJH-UHFFFAOYSA-N 363.369 3.890 10 1 FHCF COc1cccc2c1[C@H](C)C[C@H](O)[C@@H]2c1ccc2c(c1O)[C@@H](C)N[C@H](C)C2 2356703437 CJSBULIESOFFFZ-FWEPDOPRSA-N 367.489 3.996 10 1 FHCF CCOC(=O)[C@@]1(C)C(N=Nc2ccccc2)=C(O)C(=O)N1c1ccccc1 253960946 FELVFPOIGITSMT-HXUWFJFHSA-N 365.389 3.909 10 1 FHCF Cn1nnc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1C(F)F 587128411 LXTWIUMTHHSJFP-UHFFFAOYSA-N 356.336 3.671 10 1 FHCF CCC(CC)COC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc(N(C)C)cc1 169691583 FHJDVSJUIMPPHS-MSOLQXFVSA-N 359.470 3.573 10 1 FHCF CCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 1772629613 BMRNUWBMTPEMSE-AOMKIAJQSA-N 368.477 3.940 10 1 FHCF O=C(NCc1ccccn1)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]12 103754584 FYSQIMKFDDFFLD-RVKKMQEKSA-N 373.378 3.871 10 3 FHCF O=C(O)CCCCc1cc(=O)oc2c(CNc3ccccc3)c(O)ccc12 29569990 SYTZQKNJDXYJMA-UHFFFAOYSA-N 367.401 3.908 10 1 FHCF COc1cc(C[C@H](C)[C@@H](C)Cc2cc(O)c(O)c(OC)c2)cc(O)c1O 14437587 OZDNCPZBUBDALE-RYUDHWBXSA-N 362.422 3.584 10 1 FHCF biogenic COc1cc2c3c(c1)O[C@@H](c1c(C)n(C)c4ccc(OC)cc14)[C@@H](C2)C3=O 587431478 PAEVKXUBILNAEX-KSFYIVLOSA-N 363.413 3.993 10 1 FHCF O=C1NC[C@@H](c2ccc(N3CCCCC3)cc2)N1c1ccn2ccnc2c1 144905091 KTYFFAUQHANCLE-IBGZPJMESA-N 361.449 3.596 10 1 FHCF Cc1cccc(OCC(=O)N=Nc2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c1 253961056 QHQAUDPJHMOSMR-UHFFFAOYSA-N 354.322 3.779 10 1 FHCF Cc1ccccc1NCC(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 101660230 QBJCHSGAIMGKLZ-QZQOTICOSA-N 353.338 3.813 10 1 FHCF Oc1ccc([C@H]2CN(CC3CC3)CCc3c2cc(O)c(O)c3Cl)cc1 27769972 SIILMBVTDICKJR-QGZVFWFLSA-N 359.853 3.857 10 1 FHCF CCOc1ccc(N2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1 587396927 XHCBOSAQONFFFU-NRFANRHFSA-N 352.434 3.590 10 1 FHCF CCCCNCc1c(O)c(OC)c(O)c2c(=O)cc(-c3ccccc3)oc12 29127609 WTOQRPCGKCQROE-UHFFFAOYSA-N 369.417 3.770 10 1 FHCF COc1cc(/C=C/c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(O)c1O 587785426 LTEDVUGBSMDRAJ-NSCUHMNNSA-N 354.259 3.710 10 1 FHCF CC(C)=CCc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O 231607435 AZZOFOYQTLQXGY-UHFFFAOYSA-N 354.358 3.791 10 1 FHCF COc1ccc(/C=C2\SC(=S)N(Cc3ccncc3)C2=O)cc1OC 169327329 CHAQJGYQEBGXBR-YBEGLDIGSA-N 372.471 3.500 10 1 FHCF COc1cc(/C=C\c2nc3cc(C(F)(F)F)cnc3[nH]2)cc(O)c1O 587785858 OZZJSTPCAAKTRH-IHWYPQMZSA-N 351.284 3.567 10 1 FHCF COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc(OC)c1O 5470086 CIMGVHAUPSRXTM-CHHVJCJISA-N 372.808 3.869 10 1 FHCF COc1ccc(C/N=N/c2cc(N3CCCC3)nc(N3CCCC3)n2)cc1 169689832 CHQMNGXFHWGOGE-DARPEHSRSA-N 366.469 3.970 10 1 FHCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1[nH]nc2c1CCC2 103966435 UHENVAMFPQZUDH-QZQOTICOSA-N 374.198 3.772 10 1 FHCF C[C@@H](Oc1ccccc1)C(=O)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 299812985 JRVWXIGXXQGRGI-SNVBAGLBSA-N 354.322 3.860 10 1 FHCF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(Cl)ccc2N(C)[C@@H]31 95557016 SUZPNKHCFDCCIU-LJQANCHMSA-N 367.836 3.977 10 1 FHCF CCN(C)C(=O)Oc1ccc2c(c1)CN1CCc3ccccc3[C@@H]1N2C 95573676 CUSAPAFCNUXGJO-HXUWFJFHSA-N 351.450 3.644 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(O)c2)N1 587823921 XGJJVHLBNKZIOD-BCTVWOGZSA-N 352.203 3.623 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N)ccc2O)N1 587744792 IOMAJXXXQDBBMX-VVVCHXIZSA-N 365.246 3.674 10 1 FHCF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587804320 ATYIGLOURSNQOT-XLFHBGCDSA-N 366.230 3.926 10 1 FHCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1O 587605526 APLZIQDFPQYWJK-UZLBHIALSA-N 350.326 3.506 10 1 FHCF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2ccccc2O)N1 963170892 AVIAAXPZFKMYSO-HIFRSBDPSA-N 371.742 3.753 10 1 FHCF CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C)nc4)s3)[nH]nc21 653819701 WJUZSDOIDKANHJ-UHFFFAOYSA-N 351.435 3.629 10 1 FHCF CC(C)[C@@H]1c2cc(O)c(O)cc2CCN1C(=S)NCCc1ccccc1 1857584122 JTUZLKKDZPLFAI-HXUWFJFHSA-N 370.518 3.770 10 1 FHCF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(O)c1O)C[C@@H](C)[C@@H](C)C2 2356681351 QQVWVILUXJOLFZ-MNOVXSKESA-N 374.433 3.867 10 1 FHCF Oc1cc2c(cc1O)CN(C(=S)NCc1ccc(Cl)cc1)CCC2 13587938 PZNFYDKYZCDITG-UHFFFAOYSA-N 362.882 3.574 10 1 FHCF O=C(/N=N\c1c(O)[nH]c2ccccc12)c1ccc(CN2CCOCC2)cc1 15961146 WJVARJRPLXISRE-FCQUAONHSA-N 364.405 3.630 10 1 FHCF CN(C)Cc1c(O)ccc2nc(-c3ccc(OC(F)(F)F)cc3)[nH]c12 45334493 GSTGROJFSXTRKP-UHFFFAOYSA-N 351.328 3.896 10 1 FHCF O=C1Cc2c([nH]c3ccc(Br)cc23)-c2cc(O)c(O)cc2N1 1861415 CSJPCQXZZVBCHG-UHFFFAOYSA-N 359.179 3.503 10 1 FHCF Nc1ccc(F)c(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587142165 LVJNVBZCLBOSRD-UHFFFAOYSA-N 371.371 3.650 10 1 FHCF COc1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1O 587785519 BTYBCPLHJZALGD-UHFFFAOYSA-N 370.364 3.720 10 1 FHCF CCn1c2ccccc2c2cc(NC=C3C(=O)OC(C)(C)OC3=O)ccc21 1772583330 GQDOAFBPYPJHPQ-UHFFFAOYSA-N 364.401 3.946 10 1 FHCF CN1c2ccccc2Sc2ccc([C@]3(O)CN4CCCC[C@@H]4CO3)cc21 169307099 VAPWSXKEANDDSP-IERDGZPVSA-N 368.502 3.949 10 1 FHCF Cc1c(Br)ccc2[nH]c(-c3ccc(N(C)CCO)cc3)nc12 587192760 BWRDVUAQMCSDQA-UHFFFAOYSA-N 360.255 3.729 10 1 FHCF COc1ccc2nc3ccccc3c(NC(=S)NC[C@@H]3CCCO3)c2c1 45288770 ANPQLYUXOSQJNX-AWEZNQCLSA-N 367.474 3.862 10 1 FHCF CN1CCCC[C@@H]1c1c(O)cc2c(c1O)C(=O)C[C@H](c1ccccc1)O2 13383122 WPYCQKPTEOGNOH-RHSMWYFYSA-N 353.418 3.961 10 1 FHCF biogenic O=C(O)CN1C(=O)/C(=C/c2ccc(Oc3ccccc3)cc2)SC1=S 66251096 TXGWLQVCPVHGKO-GDNBJRDFSA-N 371.439 3.765 10 1 FHCF C[C@@]12CC[C@@H]3c4cc(CN5CCOCC5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 17300020 FJWJRQPFLAFCSE-JGQIHZOTSA-N 369.505 3.650 10 1 FHCF CC(=O)C[C@H](C)c1ccc(OC2CN(c3ccc4c(c3)OCCO4)C2)cc1 96172825 HXVFBHFAJLPCDX-HNNXBMFYSA-N 367.445 3.808 10 1 FHCF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(O)c1OC)CCCC2 71789464 KNGFBDAEQZCBJL-UHFFFAOYSA-N 360.406 3.678 10 1 FHCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc([N+](=O)[O-])cc(O)c2O)N1 962947054 MTYPEADQIAJMLL-XTZNXHDOSA-N 353.378 3.501 10 1 FHCF Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3ccccc3O)c2)cc1 35000920 UOVMGPDKURISLV-UHFFFAOYSA-N 355.415 3.874 10 1 FHCF COc1ccc2c(c1)[C@@](C)(c1ccc(O)c([N+](=O)[O-])c1O)N(C(C)C)CC2 962085828 BKTVWVSRNIFFJO-HXUWFJFHSA-N 372.421 3.545 10 1 FHCF Cc1cc(O)cc(O)c1[C@@H]1c2ccsc2CCN1Cc1cccn1C 962396373 GHSFSBCQDRBCIW-FQEVSTJZSA-N 354.475 3.954 10 1 FHCF CCOc1cc(C/N=N/c2cc(C)nc(-n3nc(C)cc3C)n2)ccc1O 169689580 ZIUDGXBHDIMSBO-BSYVCWPDSA-N 366.425 3.976 10 1 FHCF COc1ccc2c(c1)c(C)c1n2CCN2C(=O)c3cc(F)ccc3N(C)[C@H]12 1857546478 CECHFAPRIHOTAJ-FQEVSTJZSA-N 365.408 3.702 10 1 FHCF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCc4ccc(O)c(O)c4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356337254 WRFCXWWPRNBPHO-VEXRBORRSA-N 366.457 3.992 10 1 FHCF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C(=CO)C(=O)OC 2356507510 WKWHYFHGTWZCLM-LPHOPBHVSA-N 352.434 3.648 10 1 FHCF Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccc([N+](=O)[O-])cc1 103225969 HAAMSIZPGWYWMM-UHFFFAOYSA-N 351.410 3.987 10 1 FHCF COc1cc(/C=C\c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc(O)c1O 587785423 LTEDVUGBSMDRAJ-IHWYPQMZSA-N 354.259 3.710 10 1 FHCF CCOC(=O)c1sc2c(C(=O)OCC)n3cc(C)cc(C)c3c2c1O 1617328 ZXIDCVYYDJJAOW-UHFFFAOYSA-N 361.419 3.830 10 1 FHCF CC[C@@H](C)OC(=O)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 29558063 TWYMYDWTOLEJFH-MRXNPFEDSA-N 360.498 3.539 10 1 FHCF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(O)c3[C@H](C)N1CC2 85996835 OFHYKBHNENOGPU-LRDDRELGSA-N 355.434 3.635 10 1 FHCF biogenic O=C([C@H]1Cc2ccccc2[C@@H](c2c(O)ccc3cccnc23)N1)C(F)(F)F 962760528 FUCIKVDCKKKFFA-KDOFPFPSSA-N 372.346 3.676 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C=O)c2O)N1 587833104 LWFXABADEAEGFB-XXFAHNHDSA-N 364.214 3.730 10 1 FHCF COc1ccc2c(c1)c(N=NC(N)=S)c(O)n2CC(=O)c1ccccc1 377867597 VHEGUUCPTADMTQ-UHFFFAOYSA-N 368.418 3.566 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2O)N1 587831840 IHQHDCXSKKEENI-ANRSDYALSA-N 352.203 3.623 10 1 FHCF CCN(C)C(=O)Oc1ccc2c(c1)CN1CCc3ccccc3[C@H]1N2C 95573677 CUSAPAFCNUXGJO-FQEVSTJZSA-N 351.450 3.644 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2O)N1 587826436 ATLRBLFVRRILAB-VXJOIVPMSA-N 352.203 3.623 10 1 FHCF Cc1cc(C)c(C(=O)c2nc(C(=O)O)cc3cc(O)c(O)cc23)c(C)c1 13490145 HIXQCROOMFKCLD-UHFFFAOYSA-N 351.358 3.500 10 1 FHCF COc1ccc2c(c1OC)[C@@H](c1c(O)ccc3cccnc13)N(C)[C@H](C)C2 962640169 ZECCWMKSIFHAFU-ASSNKEHSSA-N 364.445 3.923 10 1 FHCF CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1[N+](=O)[O-])C2 169290301 DZJLZIATUZYNSZ-LHCKPQELSA-N 361.394 3.777 10 1 FHCF CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)C2 169293414 AAMHKUSHZPJSMY-QKTKXOSRSA-N 361.394 3.777 10 1 FHCF CCCCCC[C@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29250823 AVQAPDRRTOCLNB-HNNXBMFYSA-N 354.402 3.877 10 1 FHCF COc1ccc2c(c1O)O[C@@H]1c3cc(CC=C(C)C)c(O)c(O)c3OC[C@@H]21 31170049 CCJZMFCTSISMAP-IFXJQAMLSA-N 370.401 3.930 10 1 FHCF biogenic CN(CCO)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587193247 WCMLRBSSBIPAGN-UHFFFAOYSA-N 369.428 3.755 10 1 FHCF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(Cl)cc2O)N1 962976215 ZGBVAIVUVGXZHD-NHYWBVRUSA-N 374.170 3.666 10 1 FHCF Cc1cccc(-c2c(O)cc3c(c2O)C(=O)c2c(O)cc(C)cc2C3=O)c1 1772572298 UNKAEQRVAMJKGA-UHFFFAOYSA-N 360.365 3.863 10 1 FHCF O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc3ccccc3c2)n1 13470147 XIFAVPVMZDXWME-UHFFFAOYSA-N 359.337 3.728 10 1 FHCF COc1ccc([C@@H]2COc3c(ccc(O)c3CC=C(C)C)C2=O)c(O)c1O 14762851 JCQXUPLVXUGUEL-HNNXBMFYSA-N 370.401 3.680 10 1 FHCF biogenic CC(C)CNC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 61691668 XXTHSYNVJYXUIQ-HEHGZKQESA-N 354.372 3.811 10 3 FHCF COc1ccc(C2=C/C(=C\c3cccc(OC)c3OC)C(=O)O2)cc1OC 840583 WXMMHTVWSWDRGX-XNTDXEJSSA-N 368.385 3.702 10 1 FHCF Nc1ccc(N2CCN(CCC(=O)c3csc4ccccc34)CC2)cc1 71295857 XRFFCWCDPLMTBD-UHFFFAOYSA-N 365.502 3.879 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2O)N1 587826431 ATLRBLFVRRILAB-AYVTZFPOSA-N 352.203 3.623 10 1 FHCF CCCCNc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12 5973633 IFOGRHUSMJFXSD-UHFFFAOYSA-N 364.493 3.891 10 1 FHCF COc1cc(O)c2c(c1)OC(C)(C)C[C@@]21NCCc2cc(C)c(F)cc21 962297512 JMQMTJLVVITEKC-NRFANRHFSA-N 357.425 3.799 10 1 FHCF CN(C)c1ccc(/C=C/Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)cc1 71341953 FOMRVDIOVVYYAS-SNAWJCMRSA-N 366.392 3.618 10 1 FHCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)CN=[N+]=[N-])c1)O2 587391740 YCDPGWDTOOBORV-LJQANCHMSA-N 365.393 3.707 10 1 FHCF O=[N+]([O-])c1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc(O)c1O 962672056 XPEONWYWOWAHRM-FQEVSTJZSA-N 362.385 3.908 10 1 FHCF O=C1CCC[C@@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 586884362 HMKORARBSXEPJR-GFCCVEGCSA-N 358.397 3.955 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cccc2O)N1 587823542 UVBSKTLPZYPZHJ-XLFHBGCDSA-N 366.230 3.797 10 1 FHCF O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2cccc(F)c2)cc1 1911582297 WAZBPKHIEXNHBK-UHFFFAOYSA-N 369.355 3.849 10 1 FHCF COc1cc(C[C@@H](C)[C@H](C)Cc2cc(O)c(O)c(OC)c2)cc(O)c1O 14437588 OZDNCPZBUBDALE-VXGBXAGGSA-N 362.422 3.584 10 1 FHCF biogenic,in-vitro Cc1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205011322 SITQYXHEMXRNGJ-UHFFFAOYSA-N 358.323 3.811 10 1 FHCF CC(C)CNC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 15952447 XXTHSYNVJYXUIQ-XJKCOSOUSA-N 354.372 3.811 10 3 FHCF Cc1cc(=O)oc2cc(N3C(=O)CS[C@H]3c3ccccc3O)ccc12 49694847 DCBDJYQUOGELOC-IBGZPJMESA-N 353.399 3.586 10 1 FHCF CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1cccc(O)c1O 2356330727 UUCZXFFJDVBFML-CSODHUTKSA-N 369.461 3.647 10 1 FHCF O=C1c2cccc(O)c2C(=O)c2c1ccc1c(=O)cc(-c3ccccc3)oc21 29038292 GLJQLFABPKOLAA-UHFFFAOYSA-N 368.344 3.941 10 1 FHCF CCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)nn2)cc1 95582026 RZTVVHRILBYTIY-UHFFFAOYSA-N 359.433 3.999 10 1 FHCF CC1=C(c2ccc3nc(CCCCCCN=[N+]=[N-])[nH]c3c2)NNC(=O)C1 587260026 MHSCPFHFQMWWCL-UHFFFAOYSA-N 353.430 3.732 10 1 FHCF COc1ccc2nc3ccccc3c(NCCC[N+](C)(C)[O-])c2c1[N+](=O)[O-] 26568572 SPWBUPLVHPUUBF-UHFFFAOYSA-N 370.409 3.681 10 1 FHCF C[N+](C)(Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1 95587156 OAADLWXSWBRILF-UHFFFAOYSA-O 374.416 3.640 10 1 FHCF CC1CCN(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 95588453 BVJZPIOSURXGSB-UHFFFAOYSA-N 359.429 3.570 10 1 FHCF Cc1cc(O)cc(O)c1[C@H]1c2ccsc2CCN1Cc1cccn1C 962396374 GHSFSBCQDRBCIW-HXUWFJFHSA-N 354.475 3.954 10 1 FHCF Oc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22442002 IZRHKURJIQCXMT-WMZOPIPTSA-N 366.383 3.874 10 1 FHCF O=C(c1cccnc1)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O 653700254 FNTVCSIWKXLVLG-UHFFFAOYSA-N 353.786 3.803 10 1 FHCF O=C(O)c1cc(-c2ccc(O)c(O)c2)nc2n[nH]c(-c3ccc(F)cc3)c12 20134825 LQBFIKRSZRWFGI-UHFFFAOYSA-N 365.320 3.540 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2O)N1 587822652 QAEJNIMFPSWSLH-PWJLMRLQSA-N 352.203 3.623 10 1 FHCF COC(=O)C1=C(C)/C(=C(\O)OC)C(C)=N[C@H]1c1c(O)ccc2ccccc12 8684324 QJVQSIKNNFZXMX-WDULPBOOSA-N 367.401 3.967 10 1 FHCF Cc1cc([C@@H]2NC(=O)c3ccccc3N2)c(C)n1-c1ccc2c(c1)OCO2 9740503 VJQFREFUHIWYRG-FQEVSTJZSA-N 361.401 3.677 10 1 FHCF O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3cccc(F)c3)c12 72175719 AERWRQJBDVYDSF-UHFFFAOYSA-N 368.316 3.781 10 1 FHCF O=C(c1cccs1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 169344553 QSKAEENPKXCRFB-UHFFFAOYSA-N 356.369 3.609 10 1 FHCF COc1cc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc(C=O)c1OC 1857748450 CEAGPSSEADCMCT-FMQUCBEESA-N 360.366 3.958 10 1 FHCF Cc1sc2c(c1C)CCN[C@]2(CCC(=O)O)c1ccc(N(C)C)cc1 963034239 YIMABUTUNSSIIH-HXUWFJFHSA-N 358.507 3.685 10 1 FHCF O=C1C=CC[C@H](/C=C/c2ccccc2)N1C(=O)/C=C/c1ccc(O)c(O)c1 299834445 JEQQNQXDEFLFET-LRRWDOLISA-N 361.397 3.508 10 1 FHCF Cc1cc(Cl)cc2c(N=Nc3ccc(S(N)(=O)=O)cc3)c(O)[nH]c12 618008667 UPAYQAVEXCQREB-UHFFFAOYSA-N 364.814 3.898 10 1 FHCF Cc1oc2c(c1C(=O)Nc1cccc(Cl)c1)C(=O)c1cccnc1C2=O 1857631532 LKKQMOYIRVOBHW-UHFFFAOYSA-N 366.760 3.664 10 1 FHCF O=S1(=O)CC[C@H](/N=N/c2c(O)n(Cc3ccccc3)c3ccccc23)C1 96901758 IIIVRKUATGMARX-IWKHNONTSA-N 369.446 3.666 10 1 FHCF O=C(Nc1ccccc1)OCc1cnc2c(c1)C(=O)c1ccccc1C2=O 28090649 CMZPKPSTDVODOD-UHFFFAOYSA-N 358.353 3.606 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cccc2O)N1 587823595 VHKNBYOBPRLWQN-VPTHRUTESA-N 352.203 3.623 10 1 FHCF Cc1cc(C/N=N/c2nc(N)ncc2[N+](=O)[O-])c(C)n1-c1ccccc1F 169689166 TULXWAKHZGOGAE-XTQSDGFTSA-N 369.360 3.798 10 1 FHCF Cc1ccccc1[C@H]1CN(C)CCc2c1cc(O)c(O)c2Br 87723292 ZKZLBHXLUDHZTB-OAHLLOKOSA-N 362.267 3.789 10 1 FHCF O=C1c2ccccc2-c2cc(-c3ccc(O)c(O)c3O)nc3ccc(O)c1c23 586990443 FMAAQVIGJLASLF-UHFFFAOYSA-N 371.348 3.936 10 1 FHCF COc1cc(O)c([C@@]2(C)c3cc(OC)ccc3CCN2C(C)C)c(O)c1 962092134 PDLLTFFEKPNIAH-OAQYLSRUSA-N 357.450 3.645 10 1 FHCF CC(C)c1csc(-c2nnc3n2N=C(c2ccc(O)cc2)CS3)n1 64447978 OHRXKJDQLJEMTN-UHFFFAOYSA-N 357.464 3.589 10 1 FHCF O=C1NN=C(c2cnccn2)/C1=C/c1[nH]c2ccccc2c1-c1ccccc1 28383850 PCOZNIRSQUKGAF-VBKFSLOCSA-N 365.396 3.542 10 1 FHCF O=C1c2ccccc2-c2c1c1ccc(F)cc1c(=O)n2CCCn1ccnc1 473169170 MFIXMXKVUGUJSQ-UHFFFAOYSA-N 373.387 3.639 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2O)N1 587831845 IHQHDCXSKKEENI-GLEZIHRCSA-N 352.203 3.623 10 1 FHCF COc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(F)c1 1772649179 YSZLQXKCVOBWBY-LIRRHRJNSA-N 372.440 3.689 10 1 FHCF Cc1c(O)ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587823481 UOEWRCPIKHPCAR-PWJLMRLQSA-N 366.230 3.931 10 1 FHCF Cc1cc(/N=N/Cc2ccccc2[N+](=O)[O-])nc(-n2nc(C)cc2C)n1 169689168 UZBQBASVXWGUTD-DYTRJAOYSA-N 351.370 3.780 10 1 FHCF O=C1NC(=O)C(=Cc2ccc(OCCCCC3CCCCC3)cc2)C(=O)N1 1857645528 RVUVWVQJHCWDLO-UHFFFAOYSA-N 370.449 3.565 10 1 FHCF Cc1ccc(CN(C)c2ncnc3ccc(-c4ccc(CO)n4C)cc23)o1 66166675 RSSCJNOUFMGLMN-UHFFFAOYSA-N 362.433 3.665 10 1 FHCF O=[N+]([O-])c1cc(CN2CCN(c3ccccc3)CC2)c(O)c2ccccc12 84635235 SEBKKYUODHCCSH-UHFFFAOYSA-N 363.417 3.776 10 1 FHCF COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(O)c1O)C[C@@H](C)[C@H](C)C2 2356681350 QQVWVILUXJOLFZ-GHMZBOCLSA-N 374.433 3.867 10 1 FHCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(CN3CCCCC3)c1)O2 587398404 GLGPCGLBGPQKQL-OAQYLSRUSA-N 366.461 3.975 10 1 FHCF CCCOc1ccc(N2CCN(c3noc(CC)n3)[C@@H](C)C2)c(Cl)c1 103252684 WTTLUPPQSDIOHE-ZDUSSCGKSA-N 364.877 3.789 10 1 FHCF CCC(CC)COC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc(N(C)C)cc1 169691584 FHJDVSJUIMPPHS-ROUUACIJSA-N 359.470 3.573 10 1 FHCF O=C1CSC(=S)N1CCCCNc1ccnc2cc(Cl)ccc12 95592353 XGSZBNYZQVBNHY-UHFFFAOYSA-N 365.911 3.941 10 1 FHCF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(N(C)C)cc3)oc2c1 169128508 HYNZPMQJZRQWNV-CYBMUJFWSA-N 362.433 3.811 10 1 FHCF Cc1cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587821052 GMOKMFTUJJDMFR-XYZCENFISA-N 366.230 3.931 10 1 FHCF COc1cc(/C=C/c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(O)c1O 587784994 GRMMWXXGRJDTMW-NSCUHMNNSA-N 352.177 3.855 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cccc2O)N1 587820957 GEGGSYFTDKOUIH-ZKANADHPSA-N 352.203 3.623 10 1 FHCF CC(C)=CCc1c(-c2coc3cc(O)cc(O)c3c2=O)ccc(O)c1O 14762991 XIUMMQJDWWYGHD-UHFFFAOYSA-N 354.358 3.791 10 1 FHCF biogenic,in-vitro COc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1F 1772582397 IPLFLSQYRUTBGO-LIRRHRJNSA-N 372.440 3.689 10 1 FHCF CN(C)CCCCCCNC(=O)c1cccc2c(N)c3ccccc3nc12 5957557 YAJCQYQEJHREEV-UHFFFAOYSA-N 364.493 3.822 10 1 FHCF O=S1(=O)c2ccccc2Nc2c(CCc3ccc(O)c(O)c3)cccc21 95594109 OOXCJYYLIRMEOE-UHFFFAOYSA-N 367.426 3.773 10 1 FHCF COc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1O 45347315 FJEOIDUPEMASKE-UHFFFAOYSA-N 370.364 3.720 10 1 FHCF in-vivo CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cn1 84525262 MTSCMGFJKIJHHJ-UHFFFAOYSA-N 364.430 3.898 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2O)N1 587823488 UOLXSDCRTBXMQH-XYZCENFISA-N 366.230 3.797 10 1 FHCF O=C([C@H]1Cc2ccccc2[C@H](c2c(O)ccc3cccnc23)N1)C(F)(F)F 962760532 FUCIKVDCKKKFFA-RDTXWAMCSA-N 372.346 3.676 10 1 FHCF COc1ccc(/C=C2/SC(=S)N(CC(=O)c3ccccc3)C2=O)cc1 1857600176 XLYOMJLCZYEFPL-GZTJUZNOSA-N 369.467 3.779 10 1 FHCF COC(=O)c1ccc(-n2c(C)cc3c2CCCC3)c(O[C@@H]2CCOC2)c1 587925155 PESFMWNJJZWBTQ-QGZVFWFLSA-N 355.434 3.619 10 1 FHCF Cc1ccc(/N=N/C(=C2/NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])cc1 103205036 DPVDXXYLHSGCEV-ZOKPAGGWSA-N 372.816 3.636 10 1 FHCF C[C@@]1(c2cc(Br)cc(N)c2O)NCCc2cc(Cl)ccc21 963391068 PIHZXVYTYGURGN-MRXNPFEDSA-N 367.674 3.800 10 1 FHCF COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3cc(O)c(O)c(OC)c3)nc2c1 587785939 QASXJWPPUHGONZ-ARJAWSKDSA-N 374.780 3.593 10 1 FHCF O=C(NCc1ccccn1)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 15952407 FYSQIMKFDDFFLD-HDMKZQKVSA-N 373.378 3.871 10 3 FHCF O=C1c2ccccc2C(=O)c2c1c1ccccc1c(=O)n2Cc1ccccc1 299832847 UEGICEZSNQHLLY-UHFFFAOYSA-N 365.388 3.825 10 1 FHCF O=S1(=O)CC[C@@H](/N=N\c2c(O)n(Cc3ccccc3)c3ccccc23)C1 96901755 IIIVRKUATGMARX-MSVBSMQLSA-N 369.446 3.666 10 1 FHCF O=c1cc(-c2ccc(O)c(O)c2)oc2c(Cl)c(O)c(Cl)c(O)c12 299831773 RMEAAGDYPKWEJY-UHFFFAOYSA-N 355.129 3.589 10 1 FHCF CCN(CC)CCOc1ccc2c3c(oc2c1)C(=O)c1ccccc1C3=O 28713979 IIVAVXWNCRWKNK-UHFFFAOYSA-N 363.413 3.929 10 1 FHCF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(N(C)C)c3ccccc13)NCC2 962929794 XPMSNRZPCTVMAE-QHCPKHFHSA-N 373.500 3.843 10 1 FHCF Cc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 103966426 NZRBWZXQTQLOAO-ISLYRVAYSA-N 360.351 3.563 10 1 FHCF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)C2 169293412 AAMHKUSHZPJSMY-IDWCEEENSA-N 361.394 3.777 10 1 FHCF C[C@H](c1ccccc1)c1ccnc2c1C(=O)c1sc([N+](=O)[O-])cc1C2=O 1857629093 MKLWRKBLAFTZRA-SNVBAGLBSA-N 364.382 3.979 10 1 FHCF CCn1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NC3CCCC3)CN(C)[C@@H]1C2 27732330 HEOXXPSJEXLJSX-OZOXKJRCSA-N 365.521 3.680 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C=O)c2O)N1 587833098 LWFXABADEAEGFB-FVMDXXJSSA-N 364.214 3.730 10 1 FHCF C[C@@]1(c2ccc(O)cc2O)NC2(CC2)Cc2ccc(Br)cc21 961617833 WTRXUVTVLNINHU-KRWDZBQOSA-N 360.251 3.802 10 1 FHCF COc1cc(O)c2c(c1)OC(C)(C)C[C@]21NCCc2cc(C)c(F)cc21 962297513 JMQMTJLVVITEKC-OAQYLSRUSA-N 357.425 3.799 10 1 FHCF CCOC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(C)n3C)cc2)C[C@@H]2CC[C@H]1N2 27551177 TXACAODLYQXGHT-PXCRPINLSA-N 352.478 3.788 10 1 FHCF CCCCC=Cc1c(O)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O 2356494799 SRLJDAXYSSKFRO-UHFFFAOYSA-N 368.385 3.791 10 1 FHCF CC(C)[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2O)N1 2934904 YSGDWOSKKNMNOF-DYESRHJHSA-N 352.434 3.768 10 1 FHCF Cc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587821039 GMOKMFTUJJDMFR-HUTHGQBESA-N 366.230 3.931 10 1 FHCF CCN1C(=O)C(=Cc2coc3ccc(Cl)cc3c2=O)SC1=S 2356304794 FPQACBHUQDTOEI-UHFFFAOYSA-N 351.836 3.668 10 1 FHCF COc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3ccccc3O)C2)cc1OC 4729390 VFMYTZIUNYXPKQ-UTKZUKDTSA-N 354.450 3.915 10 1 FHCF CN1CCCC[C@H]1c1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O 14919724 NHVRPSTUXVJCGJ-AWEZNQCLSA-N 367.401 3.734 10 1 FHCF biogenic COc1ccc2c(c1OC)[C@]1(CCc3ccc(C)c(O)c31)N(C)[C@H](C)C2 962616770 AOWKXZGJQCYMRF-JLCFBVMHSA-N 353.462 3.784 10 1 FHCF [N-]=[N+]=NC[C@H](Cc1ccccc1)N1CCN(Cc2ccccc2)CCC1=O 15937572 AEINWPVIDHTFFM-FQEVSTJZSA-N 363.465 3.643 10 3 FHCF CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1[N+](=O)[O-])C2 101631958 DZJLZIATUZYNSZ-NNHGMSCFSA-N 361.394 3.777 10 1 FHCF O=c1onc(-c2ccc(C(F)(F)F)cc2)n1Cc1cc(Cl)ccc1O 13558802 LKDLMWDDCKMZNV-UHFFFAOYSA-N 370.714 3.929 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(O)ccc2O)N1 587823856 WWHIOKDGMGORSG-HUTHGQBESA-N 366.230 3.797 10 1 FHCF CN1CCc2c3c(cc4c2[C@H]1Cc1ccc(O)c(O)c1-4)SCCC3=O 72105076 UOWFASPLMHQBNL-CYBMUJFWSA-N 353.443 3.528 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2O)N1 587822656 QAEJNIMFPSWSLH-ZKANADHPSA-N 352.203 3.623 10 1 FHCF Cc1cc(O)cc(O)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587823914 XECOCCKTBQZOFP-VVVCHXIZSA-N 366.230 3.931 10 1 FHCF Cc1oc2c(c1C(=O)Oc1cccc(Cl)c1)C(=O)c1ncccc1C2=O 1857748695 VPOWIHFMIQXZDF-UHFFFAOYSA-N 367.744 3.631 10 1 FHCF CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@@H]1c1ccc(N(C)C)cc1 45317891 ORZAJMSSHJYAIA-GOSISDBHSA-N 358.467 3.572 10 1 FHCF CC(C)c1csc(-c2nnc3n2N[C@H](c2ccc(N(C)C)cc2)S3)n1 64436615 CNWVCGGHXMVXEZ-HNNXBMFYSA-N 372.523 3.939 10 1 FHCF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587453501 ZBIBOXRCWJOSMJ-SBUREZEXSA-N 374.392 3.798 10 1 FHCF COc1cc(/C=C2\SC(Nc3ccccc3OC)=NC2=O)ccc1F 95755401 SCRRZCWIIMZNIQ-YBEGLDIGSA-N 358.394 3.925 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N)ccc2O)N1 587747357 PZKFHGKPYQTZDE-HUTHGQBESA-N 365.246 3.674 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cccc2O)N1 587820955 GEGGSYFTDKOUIH-VPTHRUTESA-N 352.203 3.623 10 1 FHCF CCC(CC)COC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 169691581 FHJDVSJUIMPPHS-QZTJIDSGSA-N 359.470 3.573 10 1 FHCF O=C1c2ccccc2C(=O)C12C(c1cccc(O)c1)=Cc1cc(O)ccc12 28760149 JKZZLUQCUCEIFL-UHFFFAOYSA-N 354.361 3.969 10 1 FHCF COc1cc(Br)cc([C@H]2NCCc3ccc(F)c(C)c32)c1O 962370742 DTKKUCPJDSVVRW-MRXNPFEDSA-N 366.230 3.846 10 1 FHCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(F)cc1 1772584423 LTROESIHEZEOLU-HXUWFJFHSA-N 361.376 3.918 10 1 FHCF Cc1cccc2c3c(ccc12)-c1occ(CN2CCC(=O)CC2)c1C(=O)C3=O 1772620370 LYMHMQNPBXNZFA-UHFFFAOYSA-N 373.408 3.952 10 1 FHCF Cc1cc(O)cc(O)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587822742 QNSZBKQYURXCSQ-XLFHBGCDSA-N 366.230 3.931 10 1 FHCF O=C(c1ccccc1)c1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1 40567185 OLFRQCNEORKXAT-FQEVSTJZSA-N 359.425 3.758 10 1 FHCF COc1cccc(/N=N/c2c(N)[nH]n3c(=O)cc(-c4ccccc4)nc23)c1 169689443 WRSMFUUAFAAFEW-GHVJWSGMSA-N 360.377 3.696 10 1 FHCF CN1c2ccccc2Sc2ccc([C@]3(O)CN4CCCC[C@H]4CO3)cc21 261176689 VAPWSXKEANDDSP-KKSFZXQISA-N 368.502 3.949 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(O)ccc2O)N1 587822036 LDGGQKKLMRUBJC-XLFHBGCDSA-N 366.230 3.797 10 1 FHCF O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)[C@@H]1Cc1c[nH]c2ccccc12 1857582857 QIEAXBPEQUYMKS-CYBMUJFWSA-N 374.227 3.711 10 1 FHCF Cc1ccc(Cn2c(/C=C3\SC(=S)NC3=O)nc3ccccc32)cc1 1857770761 VYFNVTHUEPWVKO-YBEGLDIGSA-N 365.483 3.882 10 1 FHCF CCCc1c(OCCCCc2cccc(O)c2O)ccc(C(=O)O)c1O 2012412 JXPMSOXQEUXOHG-UHFFFAOYSA-N 360.406 3.856 10 1 FHCF COc1cccc(-c2ccc(O)c(CNCc3ccccc3OC)c2)n1 45319094 GCODUOKMBQJOGP-UHFFFAOYSA-N 350.418 3.761 10 1 FHCF CCCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 142177917 JUGKVPLFJCZLQF-INIZCTEOSA-N 368.477 3.940 10 1 FHCF Oc1nc(S)nc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12 587081397 UQZVWBMYBGGHEG-SBMIAAHKSA-N 371.853 3.827 10 1 FHCF COc1cccc(-c2ccc(O)c(CNCCc3cccc(F)c3)c2)n1 45192322 RDLAJFXKBQYPAV-UHFFFAOYSA-N 352.409 3.934 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)ccc2O)N1 587822393 NTQAUEHGUARKRX-XYZCENFISA-N 364.214 3.730 10 1 FHCF Cc1[nH]n(-c2ccccc2)c(=O)c1C/N=N/c1nncc(-c2ccccc2)n1 169690136 GXGZJFNYXXENSC-DARPEHSRSA-N 371.404 3.610 10 1 FHCF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(O)c3O2)ccc1O 59778075 WWUVLNPEWUTCEI-KRWDZBQOSA-N 356.374 3.724 10 1 FHCF biogenic Cc1c([C@H]2c3c(cnn3C)CCN2C)c2cc(OC(C)C)ccc2n1C 963953544 AVOPQPYLUGBOFY-NRFANRHFSA-N 352.482 3.585 10 1 FHCF CCOc1ccc([C@@]2(c3ccccc3)NCCc3ccc(O)cc32)c(O)c1 963340160 FRCJCNCCRVMSKE-HSZRJFAPSA-N 361.441 3.934 10 1 FHCF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587804321 ATYIGLOURSNQOT-XYZCENFISA-N 366.230 3.926 10 1 FHCF Cn1c2c(c3ccccc31)CCn1c(-c3ccccc3)c(CO)c(CO)c1-2 1772638701 XAXBQCGLCBZREN-UHFFFAOYSA-N 358.441 3.855 10 1 FHCF CNC(=O)c1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 29240337 IJWUDDIYALLAQY-UHFFFAOYSA-N 357.417 3.656 10 1 FHCF COc1cc2c(c(O)c1/C=C/C(C)C)C(=O)c1c(O)cc(C)cc1C2=O 14883285 FMUNWYQUOSZHBF-AATRIKPKSA-N 352.386 3.859 10 1 FHCF biogenic,in-vitro COc1cccc2c1[C@H](C)C[C@H](O)[C@@H]2c1ccc2c(c1O)[C@@H](C)N[C@@H](C)C2 2356703438 CJSBULIESOFFFZ-HWMRNMNDSA-N 367.489 3.996 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cccc2O)N1 587823591 VHKNBYOBPRLWQN-BCTVWOGZSA-N 352.203 3.623 10 1 FHCF O=c1oc(C=Cc2ccc(O)c(O)c2)cc2oc3cc(O)c(O)cc3c12 2356469555 RXORBHSDVJWVOW-UHFFFAOYSA-N 352.298 3.532 10 1 FHCF O=[N+]([O-])c1cc(-c2cc(-c3cnccc3C(F)(F)F)no2)cc(O)c1O 49112876 SZPVLNYAGHPLLT-UHFFFAOYSA-N 367.239 3.742 10 1 FHCF CC(=O)c1ccc(Nc2nc([C@H](N)Cc3ccc(N)cc3)cs2)cc1 61904305 OZWOBLQEJIQFDY-QGZVFWFLSA-N 352.463 3.914 10 3 FHCF CC(C)c1nn(C)c2c1[C@@H](c1c(O)cc(C(F)(F)F)cc1F)NCC2 962915759 BMGSCYPFPAIZIF-MRXNPFEDSA-N 357.351 3.642 10 1 FHCF Cc1cccc2c3c(ccc12)-c1occ(CN2CCOCC2)c1C(=O)C3=O 1857743721 PVLJOJFIIJPUOC-UHFFFAOYSA-N 361.397 3.619 10 1 FHCF C[C@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612461 WARZWRHBQAZXFL-GHTZIAJQSA-N 364.353 3.680 10 1 FHCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O 104368257 XNPVHIQPSAZTLC-DCXXXQMHSA-N 360.450 3.912 10 1 FHCF in-man CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 586949084 PTTABLFZRWAITQ-UHFFFAOYSA-N 372.233 3.614 10 1 FHCF CO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@@H]1OC3=O 14688354 XNPVHIQPSAZTLC-IKVWTGGYSA-N 360.450 3.912 10 1 FHCF endogenous,in-man CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12 14762763 WLZYCSNLBZYEHT-UHFFFAOYSA-N 354.358 3.791 10 1 FHCF biogenic COc1cccc(O)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587807327 MZTRVJPCGSMLKY-XLFHBGCDSA-N 366.230 3.926 10 1 FHCF COc1cc(OC)c(C(=O)c2ccccc2F)c(O)c1CN1CCCCC1 49055480 AOGSOEWUNWJFLJ-UHFFFAOYSA-N 373.424 3.765 10 1 FHCF Cc1cc2c(cc1F)[C@H](c1ccc(F)c(Br)c1O)NCC2 962142946 HIJFYQZKKMHWSL-HNNXBMFYSA-N 354.194 3.976 10 1 FHCF Oc1ccccc1[C@]1(c2cnoc2)c2c(F)cccc2C[C@H]2CCCN21 963095955 DKHWNNLRSHKEKU-IIBYNOLFSA-N 350.393 3.832 10 1 FHCF CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)C2CC2)[C@@H]1CO 95797462 PQGCCZKYATWNIV-BVYCBKJFSA-N 366.505 3.754 10 1 FHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(=O)CC)cc3)C2)cc1 142345694 JIDIOBGHFSFYNY-INIZCTEOSA-N 368.477 3.940 10 1 FHCF Nc1ccc(C[C@H](N)c2csc(Nc3nncc4ccccc34)n2)cc1 61907487 KFHIGKDIQLMNPY-INIZCTEOSA-N 362.462 3.655 10 3 FHCF CN(C)CCOc1cc2oc3c(c2cc1Cl)C(=O)c1ccccc1C3=O 13651666 NXFMKHGIYFEJMA-UHFFFAOYSA-N 369.804 3.802 10 1 FHCF O=C(NCc1ccccn1)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 15952409 FYSQIMKFDDFFLD-RLFYNMQTSA-N 373.378 3.871 10 3 FHCF COc1cccc(O)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587808206 PPCVAYHCIVNTSQ-HUTHGQBESA-N 366.230 3.926 10 1 FHCF O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@H](c2ccc(Cl)cc2)N1 103069618 BBNXHWGLLKARTI-CQSZACIVSA-N 352.777 3.631 10 1 FHCF OCc1ccc(-c2ccc(C3=NN=C4c5ccc(O)cc5C[C@H]34)cc2)cc1 87612941 XZTHLIMROSKCMF-OAQYLSRUSA-N 354.409 3.931 10 1 FHCF Cc1ccc(CNC(=S)SCc2nc(=O)c3ccccc3[nH]2)cc1 209468939 SZGASAASIXKXGE-UHFFFAOYSA-N 355.488 3.539 10 1 FHCF O=C1c2ccccc2C(=O)C12C(c1ccc(O)cc1)=Cc1cc(O)ccc12 28760196 NPPJRXCPVFGGRZ-UHFFFAOYSA-N 354.361 3.969 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cccc2O)N1 587822532 PBKCKOLCXMCXHP-HUTHGQBESA-N 366.230 3.797 10 1 FHCF CC(C)=CCc1c(O)c(O)c(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O 14762737 JNPUBFNFLJGQTL-OAHLLOKOSA-N 356.374 3.724 10 1 FHCF biogenic Cc1cc(O)c(C2=NN[C@@H](c3ccc(N4CCOCC4)cc3)C2)cc1Cl 49089956 PRUMSSUUAMQFBT-GOSISDBHSA-N 371.868 3.629 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N)c2O)N1 587751402 YJPCHSBETGNRFA-VVVCHXIZSA-N 365.246 3.674 10 1 FHCF CCN1CCc2cc(OCCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 66074306 WFXYNLKNMYICFR-QGZVFWFLSA-N 357.425 3.978 10 1 FHCF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCN1CCCC1 71319007 HVWRSGHRNAHPIW-UHFFFAOYSA-N 358.441 3.699 10 1 FHCF OCc1ccc(-c2ccc(C3=NN=C4c5ccc(O)cc5C[C@@H]34)cc2)cc1 87612942 XZTHLIMROSKCMF-NRFANRHFSA-N 354.409 3.931 10 1 FHCF COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 96929412 YHIPZVGCQGGJEG-WJDWOHSUSA-N 354.793 3.689 10 1 FHCF CCCc1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(OC)cccc1C3=O 473085884 YUVDKIYHUSGWSB-UHFFFAOYSA-N 362.381 3.838 10 1 FHCF COc1ccc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587810166 SPWFIEAITWPLTE-VVVCHXIZSA-N 366.230 3.926 10 1 FHCF COc1ccc2c(c1O)O[C@H]1c3cc(CC=C(C)C)c(O)c(O)c3OC[C@@H]21 31170044 CCJZMFCTSISMAP-LIRRHRJNSA-N 370.401 3.930 10 1 FHCF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C=O)c2O)N1 587834558 SEMKQIHUDIBRSQ-JDNHERCYSA-N 364.214 3.730 10 1 FHCF O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1ccc(O)cc1O 28087949 JQWWZGWFSPPAAC-UHFFFAOYSA-N 365.385 3.547 10 1 FHCF Cc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCCCC4)cc3)c2c1 473135803 LGAWDFYKTHLWNW-UHFFFAOYSA-N 362.477 3.871 10 1 FHCF COc1cccc(-n2ncc3c(/N=N/Cc4ccc(O)cc4)ncnc32)c1 169685264 UOFAAHAIMYKPOB-ZNTNEXAZSA-N 360.377 3.814 10 1 FHCF CC=CC[C@H](C)C(=O)c1c(C)cc2c(c1O)C(=O)c1c(O)cccc1C2=O 2356341160 HRFVSTUMMIQWOA-NSHDSACASA-N 364.397 3.967 10 1 FHCF Cc1ccc(-c2cccc(C(F)(F)F)c2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26835097 FDQMBHADFAULHR-HZPDHXFCSA-N 367.367 3.939 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N)ccc2O)N1 587747359 PZKFHGKPYQTZDE-VVVCHXIZSA-N 365.246 3.674 10 1 FHCF Cc1sc2c(c1C)CCN[C@@]2(CCC(=O)O)c1ccc(N(C)C)cc1 963034237 YIMABUTUNSSIIH-FQEVSTJZSA-N 358.507 3.685 10 1 FHCF Oc1ccccc1[C@@]1(c2cnoc2)c2c(F)cccc2C[C@@H]2CCCN21 963095957 DKHWNNLRSHKEKU-KKSFZXQISA-N 350.393 3.832 10 1 FHCF COc1ccc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)c(O)c1O 963117272 DBILIUQMKIBTDW-QGZVFWFLSA-N 354.233 3.822 10 1 FHCF Cc1ccc(C2=NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)S2)cc1 299834243 LAPQGKYQFVCTRH-RGEXLXHISA-N 364.470 3.893 10 1 FHCF O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(-c2ccccc2F)cc1 1911572996 LLJWQJGNCJMPSP-UHFFFAOYSA-N 369.355 3.849 10 1 FHCF COc1cc(O)c2c(c1)C(=O)c1cc(C)c(OCC=C(C)C)cc1C2=O 2356813580 CIDXOQQWDKFWSE-UHFFFAOYSA-N 352.386 3.830 10 1 FHCF O=C(OCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O 13735429 BSQWGVYJYBBQQV-UHFFFAOYSA-N 365.385 3.773 10 1 FHCF O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1O 35242387 MVZDAGSEWKTLMJ-UHFFFAOYSA-N 369.730 3.665 10 1 FHCF Cc1ccnc2c1CCN[C@H]2c1cc(Cl)c(Br)cc1O 963092716 WQGDWVWNLTVWCB-HNNXBMFYSA-N 353.647 3.747 10 1 FHCF COc1ccc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587810170 SPWFIEAITWPLTE-XLFHBGCDSA-N 366.230 3.926 10 1 FHCF CC(C)c1nn(C)c2c1[C@H](c1c(O)cc(C(F)(F)F)cc1F)NCC2 962915758 BMGSCYPFPAIZIF-INIZCTEOSA-N 357.351 3.642 10 1 FHCF CCC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149952900 QLDVCWJXPSRHRV-HNNXBMFYSA-N 366.461 3.649 10 1 FHCF Cc1cccc(NC(=O)Cn2c(O)c(N=NC(N)=S)c3ccccc32)c1 377867591 AAXGRFUUGZCICR-UHFFFAOYSA-N 367.434 3.621 10 1 FHCF O=C(O)[C@H]1C/C(=C2/CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 3982522 XDKRVNKVAKCFGW-WXWBBQJKSA-N 368.820 3.799 10 1 FHCF investigational O=C1C2=Cc3cc(Br)ccc3OCC2=NN1c1ccccc1 103257034 IBYMNRLTGPZXAP-UHFFFAOYSA-N 355.191 3.628 10 1 FHCF CC(C)=CCc1c([C@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O 14762639 ZUWPCFTUQUUFQC-QGZVFWFLSA-N 356.374 3.724 10 1 FHCF biogenic O=C(N[C@@H]1CCN(Cc2ccccc2O)C1)c1ccc(Cl)c(Cl)c1 45195082 QMYPPRYWDAKFSH-CQSZACIVSA-N 365.260 3.703 10 1 FHCF Cc1c(O)c2c(c(O)c1C(=O)CCC(C)C)-c1cccc(O)c1C(=O)C2=O 14656282 KIYJEBIEFGUEHH-UHFFFAOYSA-N 368.385 3.777 10 1 FHCF biogenic O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OCc3ccc(F)cc3)c12 72175720 RJJZRKZCBFKPHJ-UHFFFAOYSA-N 368.316 3.781 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)cc2O)N1 587742939 BWEYGDBMFXUKES-XYZCENFISA-N 365.246 3.674 10 1 FHCF Nc1ccc(CN(CC2CCC2)C(=O)c2cc(Br)c[nH]2)cc1 103232608 FRJCDDHHEHWHMZ-UHFFFAOYSA-N 362.271 3.802 10 1 FHCF CCOC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(-c3ccc(C)n3C)cc1)N2 253740033 TXACAODLYQXGHT-CTAFRAEOSA-N 352.478 3.788 10 1 FHCF CC(C)Cn1c2c(n3ccnc3c1=O)Cc1c(-c3cccnc3)cccc1-2 299861127 KMGJSLRVMBMSSL-UHFFFAOYSA-N 356.429 3.785 10 1 FHCF CC1=NN(C(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2O)C1 71341803 CPPBWRVQHBHKKI-QGZVFWFLSA-N 353.378 3.583 10 1 FHCF COc1ccc(OC)c(-c2cc3c(c(C)n2)C(=O)c2ccccc2C3=O)c1 96934755 XGYKQYOBNSYQKH-UHFFFAOYSA-N 359.381 3.850 10 1 FHCF CCCNc1c2ccccc2nc2cc(C(=O)N3CCN(C)CC3)ccc12 169331092 IDYBLQQRFJTSJJ-UHFFFAOYSA-N 362.477 3.598 10 1 FHCF CC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C/c1c(O)ccc2ccccc12 102933491 VVLNWWHPQLOKPV-XMHGGMMESA-N 370.408 3.916 10 1 FHCF COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1 169313077 QFUOKYZEWZZDLW-DWLFOUALSA-N 374.484 3.823 10 1 FHCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(CN3CCCC3)c1)O2 587392583 BYVMUMHWUUXKSC-JOCHJYFZSA-N 366.461 3.759 10 1 FHCF O=c1cc(/C=C/c2ccc(O)c(O)c2)cc(/C=C/c2ccc(O)c(O)c2)o1 1655214 IEXJNXCOWDQAPR-YRALUDOXSA-N 364.353 3.803 10 1 FHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2O)N1 587821642 JDYCTRQUABLUBR-ZKANADHPSA-N 352.203 3.623 10 1 FHCF O=c1cc(/N=N/c2cccc(I)c2)cccc1O 1857757357 UCOCFMQOBWUIRU-FOCLMDBBSA-N 352.131 3.772 10 1 FHCF COc1cccc(CN(C)C(=O)c2cn(C)c3cc(-c4cn[nH]c4)ccc23)c1 73163542 IVRSXEYZAYEBMP-UHFFFAOYSA-N 374.444 3.849 10 1 FHCF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(Br)c1 1772624744 MLDJILJICZHODH-FNORWQNLSA-N 363.207 3.659 10 1 FHCF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@H]1CO 95869292 PQGCCZKYATWNIV-BWAGFHJFSA-N 366.505 3.754 10 1 FHCF Nc1ccc(CCNC(=O)c2nc3cc(C(F)(F)F)ccc3s2)cc1 473248533 OJNSCJQEQZWHMV-UHFFFAOYSA-N 365.380 3.870 10 1 FHCF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(N(C)C)cc3)oc2c1 204162912 HYNZPMQJZRQWNV-ZDUSSCGKSA-N 362.433 3.811 10 1 FHCF CN(C)c1ccc(CN2CCc3nc(Nc4ccccc4)ncc3C2)cc1 21639844 IIJFGBABFPJWJI-UHFFFAOYSA-N 359.477 3.845 10 1 FHCF COc1ccc2nc3cc(I)ccc3c(N)c2c1 95584327 FKAJODAXWWSUFB-UHFFFAOYSA-N 350.159 3.583 10 1 FHCF CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1cccc(O)c1O 2356330731 UUCZXFFJDVBFML-FVJLSDCUSA-N 369.461 3.647 10 1 FHCF CCCCCC[C@@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29250817 AVQAPDRRTOCLNB-OAHLLOKOSA-N 354.402 3.877 10 1 FHCF COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587808742 QQKUFFZFCYNMIZ-ABKXIKBNSA-N 366.230 3.926 10 1 FHCF O=C(COCc1ccccc1)Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2 13862837 HOABQFONODKQTP-UHFFFAOYSA-N 371.392 3.888 10 1 FHCF CCCCOc1c(OC)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O 26375935 XRIJMLLILUOYTA-UHFFFAOYSA-N 372.373 3.764 10 1 FHCF COc1cc2c(c(O)c1C=CC(C)C)C(=O)c1c(O)cc(C)cc1C2=O 2356738872 FMUNWYQUOSZHBF-UHFFFAOYSA-N 352.386 3.859 10 1 FHCF Cn1c(CSc2ccccc2)nc2c(Cn3ccnc3)c(O)ccc21 64549814 AHWJTPXZHAYNSY-UHFFFAOYSA-N 350.447 3.816 10 1 FHCF Cc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587822049 LEPAKFYIEQBGTG-XYZCENFISA-N 366.230 3.931 10 1 FHCF N=c1[nH]c2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc-2c(Cl)[nH]1 587078453 RPGRNNIGRBANGX-SBMIAAHKSA-N 373.247 3.850 10 1 FHCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(O)c1 587611758 UBDQLANUAIGIEU-YLJYHZDGSA-N 350.326 3.506 10 1 FHCF COc1cc(O)c([C@H]2NCCc3c(Cl)cc(Cl)cc32)c(OC)c1 963126884 XQRZSSDGIRFKSD-KRWDZBQOSA-N 354.233 3.951 10 1 FHCF C[C@]12CC[C@@H]3c4cc(CN5CCOCC5)c(O)cc4CC[C@H]3[C@H]1CCC2=O 254046533 FJWJRQPFLAFCSE-QWIQJREVSA-N 369.505 3.650 10 3 FHCF O=C(CN1CCCCC1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 299870157 VXYHYCDUSKWNIC-FQEVSTJZSA-N 363.461 3.556 10 1 FHCF CC(C)=C[C@H]1Oc2c(ccc(O)c2O)-c2oc3cc(O)cc(O)c3c(=O)c21 59762309 SARPNRIRSXLADG-CYBMUJFWSA-N 368.341 3.682 10 1 FHCF biogenic Oc1ccc2c(c1)[C@]1(C=C(c3ccccc3)Oc3c1ccc(O)c3O)NCC2 963352206 KWTHPOZBBQHNMQ-HSZRJFAPSA-N 373.408 3.626 10 1 FHCF COc1cccc(/C=C2/SC(=S)N(CC(=O)c3ccccc3)C2=O)c1 1857593195 GGQYNQXLESISPT-GZTJUZNOSA-N 369.467 3.779 10 1 FHCF O=C1CCCCN1Cc1c(O)ccc2oc3c4ccccc4oc(=O)c3c12 1857619830 QQVMPEHAGYGZFU-UHFFFAOYSA-N 363.369 3.911 10 1 FHCF COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCN)c2c1 27073758 CRJJDBAWNQENQC-UHFFFAOYSA-N 372.900 3.790 10 1 FHCF O=C(O)c1cccc2c1N[C@H](c1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4124104 GQCJWYDFODGKMZ-XWCIJXRUSA-N 352.346 3.825 10 1 FHCF CCN(CC)/[N+]([O-])=N/OCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 38141989 QGNVDNLWZCDGHO-AYAKEVCGSA-N 351.447 3.640 10 1 FHCF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(CN(C)C)c1)CC2=O 587470642 VLLZAMUAWFUXFV-FQEVSTJZSA-N 355.434 3.818 10 1 FHCF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1cccnc1 28641238 ZADALTWHDWFFCA-UHFFFAOYSA-N 352.393 3.851 10 1 FHCF CCCN1CCc2cc(OCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 66075719 BVBIAGFWBHXIBM-QGZVFWFLSA-N 357.425 3.978 10 1 FHCF Nc1ccc(Oc2ccc3nc(-c4ccc(CC(=O)O)c(N)c4)[nH]c3c2)cc1 587249332 HYGLEYOUCVPFCO-UHFFFAOYSA-N 374.400 3.814 10 1 FHCF O=[N+]([O-])c1cccc2nc3ccccc3c(NCCc3cccc[n+]3[O-])c12 5957336 ADPNATFFCMVEKN-UHFFFAOYSA-N 360.373 3.584 10 1 FHCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)c1O 587605525 APLZIQDFPQYWJK-OXQOHEQNSA-N 350.326 3.506 10 1 FHCF O=C1NC(=S)S/C1=C\c1nc2ccccc2n1Cc1ccccc1F 1857772953 SMZKULORUDBADI-DHDCSXOGSA-N 369.446 3.713 10 1 FHCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 142179055 PYMIBEHOGAKRBK-HNNXBMFYSA-N 354.450 3.550 10 1 FHCF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc4c(c3)OCCCO4)C2)cc1 149928571 FFWVSJCUZPLQDZ-HNNXBMFYSA-N 366.461 3.649 10 1 FHCF CN(CCO)c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 587192764 BZQKTXVIDYDSAA-UHFFFAOYSA-N 364.218 3.560 10 1 FHCF O=C(O)[C@@H]1C/C(=C2/CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 13914951 XDKRVNKVAKCFGW-ZPICJPFVSA-N 368.820 3.799 10 1 FHCF investigational CC(C)=CCc1c([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc(O)c1O 14762637 ZUWPCFTUQUUFQC-KRWDZBQOSA-N 356.374 3.724 10 1 FHCF biogenic Cc1cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587822046 LEPAKFYIEQBGTG-HUTHGQBESA-N 366.230 3.931 10 1 FHCF CCOC(=O)[C-](/N=N/c1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 169687831 NIMRVLMVPSZGFE-FMQUCBEESA-N 358.305 3.796 10 1 FHCF CCCCC[C@@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O 2356349708 MESWYTDQLWSQAY-INIZCTEOSA-N 352.427 3.510 10 1 FHCF COc1cc(/C=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)cc(OC)c1OC 28118439 DKDALCYLSRCNMZ-SREVYHEPSA-N 358.394 3.857 10 1 FHCF O=C1C[C@H](c2cc(O)c(O)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587508903 GEVRVEDBYFTXCY-GOSISDBHSA-N 355.346 3.591 10 1 FHCF CCc1ccc(/C=C2\SC(N[C@H](CC(=O)O)c3ccccc3)=NC2=O)o1 28816689 CKNNYVVONOBZIA-CCAPLTMGSA-N 370.430 3.618 10 1 FHCF CCn1c(O)c(N=NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 253951928 PPVHKMIJHFIHND-UHFFFAOYSA-N 365.315 3.893 10 1 FHCF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2 14762671 KBEFFXBSHFUQLT-QGZVFWFLSA-N 356.374 3.724 10 1 FHCF biogenic CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1N=Nc1ccc2ccccc2c1 254042187 CGZXHGCNAPWCCI-SFHVURJKSA-N 357.373 3.746 10 3 FHCF CCOc1c2c(cc3c1C(=O)c1c(OC)cccc1C3=O)C=C(OC)CC2 5836385 RUKYMOQMFYYFKY-UHFFFAOYSA-N 364.397 3.803 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N)c2O)N1 587746960 JVWLFQSLEAJYPE-VVVCHXIZSA-N 365.246 3.674 10 1 FHCF C[C@@H](c1ccccc1)c1ccnc2c1C(=O)c1sc([N+](=O)[O-])cc1C2=O 1857629092 MKLWRKBLAFTZRA-JTQLQIEISA-N 364.382 3.979 10 1 FHCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)c1O 587605523 APLZIQDFPQYWJK-JXFKEZNVSA-N 350.326 3.506 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)ccc2O)N1 587821766 JXGZWGFISSKVOV-VVVCHXIZSA-N 364.214 3.730 10 1 FHCF O=C(O)c1cccc2c1N[C@H](c1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 27571964 GQCJWYDFODGKMZ-PSTGCABASA-N 352.346 3.825 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(O)c2)N1 587821862 KGJFWLLNTWXMHM-BCTVWOGZSA-N 352.203 3.623 10 1 FHCF CCCC1=Nc2ncnn2[C@@H](c2ccc(N(C)C)cc2)/C1=C(\O)OCC 101963403 VUZNKJCPAQTNBB-HVESIFNPSA-N 355.442 3.626 10 1 FHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(O)c2O)N1 587823040 SEKWMFUIBPNYST-XLFHBGCDSA-N 366.230 3.797 10 1 FHCF CC(C)CNC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169294940 XXTHSYNVJYXUIQ-WWGRRREGSA-N 354.372 3.811 10 1 FHCF COc1cc(C/N=N/c2ncnc3c2cnn3Cc2ccccc2)ccc1O 169685231 ZYYYLVWGRIFWLS-WJTDDFOZSA-N 374.404 3.873 10 1 FHCF COc1ccccc1/C=C1/SC(=S)N(CC(=O)c2ccccc2)C1=O 1857581036 IOGIRNMUXGNUEP-GZTJUZNOSA-N 369.467 3.779 10 1 FHCF Cc1cc2c(c(O)c1C(=O)CCC(C)C)C(=O)c1c(O)cccc1C2=O 95577195 OAWSKJJZFQTYDQ-UHFFFAOYSA-N 352.386 3.801 10 1 FHCF biogenic O=[N+]([O-])c1ccc(OCCCn2c3c(c4ccccc42)CCNC3)cc1 1857535488 AJNOOJVEFGIVHQ-UHFFFAOYSA-N 351.406 3.664 10 1 FHCF Cc1cc2c(n1-c1ccc(C(=O)NC[C@H]3CCCO3)cc1)CC[C@H](C)C2 6877957 IRTYBQQDUZBKOW-MGPUTAFESA-N 352.478 3.819 10 1 FHCF O=C(Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1cc(O)c(O)c(O)c1 73197008 XYJIXRKQRPDXOA-UHFFFAOYSA-N 366.329 3.631 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N)c2O)N1 587751403 YJPCHSBETGNRFA-XLFHBGCDSA-N 365.246 3.674 10 1 FHCF Cc1ccc2[nH]c(-c3ccccc3)c(/C=C3/C(=O)NC(=S)N=C3O)c2c1 73139130 CNYMEYACNCDPOP-UHFFFAOYSA-N 361.426 3.898 10 1 FHCF CN1CCCC[C@@H]1c1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 13383124 NYHSNZHJNMYKDB-RHSMWYFYSA-N 369.417 3.667 10 1 FHCF biogenic COc1ccc2c(c1OC)[C@H](c1c(O)ccc3cccnc13)N(C)[C@@H](C)C2 962640176 ZECCWMKSIFHAFU-YEJXKQKISA-N 364.445 3.923 10 1 FHCF COC(=O)c1cc([C@@H]2NCCc3c2sc(C)c3C)ccc1N1CCCC1 963032963 VVBXQYJHOICCAN-IBGZPJMESA-N 370.518 3.987 10 1 FHCF CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccc(C)n3C)cc1)N2 169359315 TXACAODLYQXGHT-JTJHWIPRSA-N 352.478 3.788 10 1 FHCF COC(=O)[C@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1 29483361 QFUOKYZEWZZDLW-RCZSKKKRSA-N 374.484 3.823 10 1 FHCF CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1N=Nc1ccc2ccccc2c1 254042180 CGZXHGCNAPWCCI-GOSISDBHSA-N 357.373 3.746 10 3 FHCF CCn1c2ccccc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 29125492 PLSBNSMGQTYAJJ-UHFFFAOYSA-N 356.429 3.557 10 1 FHCF Cc1ccnc2c1CCN[C@]21C=C(c2ccccc2)Oc2cc(O)cc(O)c21 963072791 NVTYAPYBMCUTGH-QHCPKHFHSA-N 372.424 3.624 10 1 FHCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)Cc1ccc(C(F)(F)F)cc1 169337023 BNKVWMMTKPSBBO-BQYQJAHWSA-N 358.337 3.702 10 1 FHCF Cc1ccc([C@H](C)c2ccnc3c2C(=O)c2sc([N+](=O)[O-])cc2C3=O)o1 1857749093 GAWYWOTVRDXTPP-SECBINFHSA-N 368.370 3.880 10 1 FHCF O=C1c2c(cc3oc4cc(O)c(O)cc4c3c2O)O[C@H]1Cc1ccccc1 1857753122 MHBUWGSPFLVWJP-KRWDZBQOSA-N 362.337 3.889 10 1 FHCF Cc1ccc(N2N=C3COc4ccc(Br)cc4C=C3C2=O)cc1 103256999 XICRGSWOEHRNAV-UHFFFAOYSA-N 369.218 3.936 10 1 FHCF O=C(O)c1ccc(Cc2ccc3c(c2O)C(=O)c2sccc2C3=O)cc1 299834809 UKINUYSFPPMKFA-UHFFFAOYSA-N 364.378 3.518 10 1 FHCF CON/C=C/[C@@]1(c2ccccc2O)NCCc2c(Cl)cc(Cl)cc21 963102529 FMZMNCUNWVGAKT-KOEDOTQGSA-N 365.260 3.753 10 1 FHCF CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)c3ccc(C)cc3)=NC2=O)o1 28816643 BODVLWMKGZNKTR-IZNAZMGOSA-N 370.430 3.536 10 1 FHCF O=S1(=O)CC[C@H](/N=N\c2c(O)n(Cc3ccccc3)c3ccccc23)C1 96901757 IIIVRKUATGMARX-ANNUQZOISA-N 369.446 3.666 10 1 FHCF O=S(=O)(O)c1cc(O)c(/N=N\c2ccc(O)cc2O)c2ccccc12 13584290 JQBUVPRAKRZKRZ-ZCXUNETKSA-N 360.347 3.619 10 1 FHCF CC[C@@]1(c2ccc(F)cc2O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962707610 IRVBCZQSJPEJFV-CRAIPNDOSA-N 367.342 3.831 10 1 FHCF CC(C)=C[C@@H]1Oc2cc(O)c(O)cc2-c2oc3cc(O)cc(O)c3c(=O)c21 13414919 FHPPAZXTEIAPBK-HNNXBMFYSA-N 368.341 3.682 10 1 FHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(O)c2)N1 587821864 KGJFWLLNTWXMHM-VPTHRUTESA-N 352.203 3.623 10 1 FHCF O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c(=Nc3ccc(O)c(O)c3)c2c1 1857748351 ZRIMLBBZTYJMSX-UHFFFAOYSA-N 374.356 3.782 10 1 FHCF O=C(Cc1ccc(Cl)cc1Cl)NCc1ccc(O)c(O)c1Cl 473249640 XLLQRLJMQHOODC-UHFFFAOYSA-N 360.624 3.917 10 1 FHCF Nc1ccc(OCc2ccnc3c2NC(=O)c2cccnc2N3C2CC2)cc1 5933763 HMFISEFPXWCELJ-UHFFFAOYSA-N 373.416 3.504 10 1 FHCF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587807123 JVBRHMIQBUGPDO-HUTHGQBESA-N 366.230 3.926 10 1 FHCF CCCCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O 13491739 MFNPKZBKWKGSLK-UHFFFAOYSA-N 358.438 3.726 10 1 FHCF O=C1CSC(=S)N1CCCNc1ccnc2cc(Cl)ccc12 95591136 SAOORLRASZJGDV-UHFFFAOYSA-N 351.884 3.551 10 1 FHCF O=C([C@@H]1Cc2ccccc2[C@H](c2c(O)ccc3cccnc23)N1)C(F)(F)F 962760526 FUCIKVDCKKKFFA-KBXCAEBGSA-N 372.346 3.676 10 1 FHCF COc1c(-c2ccc(O)c(O)c2)cc(O)c2c1oc1cc(O)c(O)cc12 14645701 WWDZIQMPRWVASF-UHFFFAOYSA-N 354.314 3.790 10 1 FHCF biogenic,in-vitro CC(C)[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2O)N1 2934910 YSGDWOSKKNMNOF-UWJYYQICSA-N 352.434 3.768 10 1 FHCF CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@H]1c1ccc(N(C)C)cc1 45317888 ORZAJMSSHJYAIA-SFHVURJKSA-N 358.467 3.572 10 1 FHCF Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1cc(C(F)(F)F)ccc1Cl 169325947 VKXNABHNRDYYCK-VHEBQXMUSA-N 363.752 3.664 10 1 FHCF CCOC(=O)c1c(C)[nH]c(N=Nc2cc(C(=O)O)cc(C(=O)O)c2)c1C 253947756 VAQXTCJUNSCZIN-UHFFFAOYSA-N 359.338 3.620 10 1 FHCF CCCCCc1cc(O)nc2c1C(=O)c1c(nc(O)c(C)c1CCC)C2=O 2356712490 DSHQVFGPKKWBTO-UHFFFAOYSA-N 368.433 3.657 10 1 FHCF CN(CCO)c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 587193386 ZZNYYNHOGSKGRJ-UHFFFAOYSA-N 364.218 3.560 10 1 FHCF CCOC(=O)c1cc(C)n(-c2cc3cnccc3c(Br)n2)c1C 587939396 CZLVHHYQVOOLHB-UHFFFAOYSA-N 374.238 3.977 10 1 FHCF C[C@]1(c2ccc(O)cc2O)NC2(CC2)Cc2ccc(Br)cc21 961617834 WTRXUVTVLNINHU-QGZVFWFLSA-N 360.251 3.802 10 1 FHCF COc1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205100979 LRBMKOVYTJASHY-UHFFFAOYSA-N 374.322 3.511 10 1 FHCF Cc1oc2c(c1C(=O)Oc1ccccc1Cl)C(=O)c1ncccc1C2=O 1857632122 QIZCYJOJEATMEK-UHFFFAOYSA-N 367.744 3.631 10 1 FHCF C[C@]1(c2ccc(N3CCCCC3)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962902010 VCKVDBRQKFGGBW-SIKLNZKXSA-N 368.452 3.678 10 1 FHCF C[C@@H](Oc1ccccc1)C(=O)/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 13124990 JRVWXIGXXQGRGI-KWSDCRQYSA-N 354.322 3.860 10 1 FHCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)nc1 26940422 RPMNKXJOIHPUTK-UHFFFAOYSA-N 364.430 3.898 10 1 FHCF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1ccc(O)c(O)c1 587870739 QNXKTKUGKKFDOY-UHFFFAOYSA-N 370.380 3.772 10 1 FHCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)CN=[N+]=[N-])c1)O2 587391739 YCDPGWDTOOBORV-IBGZPJMESA-N 365.393 3.707 10 1 FHCF CN(CCO)c1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 587192865 HJCFJUBVSSKLLJ-UHFFFAOYSA-N 364.218 3.560 10 1 FHCF [N-]=[N+]=NC(COc1cccc([N+](=O)[O-])c1)COc1cccc([N+](=O)[O-])c1 2178320273 VBXZDIYLBKXTAM-UHFFFAOYSA-N 359.298 3.640 10 1 FHCF COc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)[O-])c3ccccc3nc12 26567286 UVOVHZZNMXFDRJ-UHFFFAOYSA-N 370.409 3.681 10 1 FHCF O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCc4ccc(O)c(O)c4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 169332705 WRFCXWWPRNBPHO-WZQJHFQRSA-N 366.457 3.992 10 1 FHCF CCOc1ccc([C@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c(O)c1 962635657 MCZKYHYAZWGFBE-RCDICMHDSA-N 371.477 3.948 10 1 FHCF CO[C@H]1O[C@@H]2c3cc(C(C)C)c(O)c(O)c3[C@]13CCCC(C)(C)[C@H]3[C@@H]2O 15204458 HONJHUHFGMAWIP-TYZHSBRISA-N 362.466 3.704 10 1 FHCF COc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cc1F 1772582396 IPLFLSQYRUTBGO-IFXJQAMLSA-N 372.440 3.689 10 1 FHCF COc1cc(O)c([C@]2(C)c3cc(OC)ccc3CCN2C(C)C)c(O)c1 962092131 PDLLTFFEKPNIAH-NRFANRHFSA-N 357.450 3.645 10 1 FHCF CN1C[C@H](C(=O)NC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 27724029 ATUMNIWMIIQOOS-OZOXKJRCSA-N 365.521 3.587 10 1 FHCF [N-]=[N+]=NCCCCCCc1nc2cc(I)cnc2[nH]1 587260036 MWASHLBLBQAFIX-UHFFFAOYSA-N 370.198 3.976 10 1 FHCF COc1ccc(N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)cc1 587397286 ZHFOTOIXMRUPAS-UHFFFAOYSA-N 352.434 3.590 10 1 FHCF C[C@]1(c2cc(Br)cc(N)c2O)NCCc2cc(Cl)ccc21 963391067 PIHZXVYTYGURGN-INIZCTEOSA-N 367.674 3.800 10 1 FHCF CCOc1ccc2nc(Cl)c(/C=C3\SC(=S)NC3=O)cc2c1 1772592884 YIUQYCZFJYWHGP-GHXNOFRVSA-N 350.852 3.776 10 1 FHCF Cc1cc(O)cc(O)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587822741 QNSZBKQYURXCSQ-VVVCHXIZSA-N 366.230 3.931 10 1 FHCF COc1ccc2c(c1)c(C)c1n2CCN2C(=O)c3cc(F)ccc3N(C)[C@@H]12 1857546479 CECHFAPRIHOTAJ-HXUWFJFHSA-N 365.408 3.702 10 1 FHCF Cc1cc(=O)oc2cc(N3C(=O)CS[C@@H]3c3ccccc3O)ccc12 49694848 DCBDJYQUOGELOC-LJQANCHMSA-N 353.399 3.586 10 1 FHCF CCOP(=O)(OCC)c1ccc(/C=C2\SC(=O)NC2=S)cc1 95555855 XUIQCKKBVMHSAO-XFXZXTDPSA-N 357.393 3.703 10 1 FHCF [N-]=[N+]=NC(COc1ccc([N+](=O)[O-])cc1)COc1ccc([N+](=O)[O-])cc1 2178320204 PGYZZSSRWKYBTO-UHFFFAOYSA-N 359.298 3.640 10 1 FHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(O)c3[nH]1)[C@H]1CC=C[C@@H]21 587275547 DRAZIYQFPRBXCL-WQGACYEGSA-N 363.377 3.707 10 1 FHCF COc1cc(/C=C\c2nc3cc(Cl)nc(Cl)c3[nH]2)cc(O)c1O 587784991 GRMMWXXGRJDTMW-IHWYPQMZSA-N 352.177 3.855 10 1 FHCF CNc1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 220112316 FUUXSRJHYOGBFZ-UHFFFAOYSA-N 373.338 3.544 10 1 FHCF CCN1CCc2c(c(O)c(OC)c3c2ccc2cc(O)c(OC)cc23)C1 40392083 ORSKJVFENCQMOI-UHFFFAOYSA-N 353.418 3.799 10 1 FHCF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 142088096 IOPKNRJBGLEYAJ-WMLDXEAASA-N 369.469 3.697 10 1 FHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(O)c2)N1 587823336 UHEPXULAWBWCEK-HUTHGQBESA-N 366.230 3.797 10 1 FHCF Nc1nn2c(O)cc(-c3ccccc3)nc2c1/N=N\c1ccc2c(c1)OCO2 102402996 BFAICKCFCBOWKB-FCQUAONHSA-N 374.360 3.828 10 1 FHCF O=c1c(Cl)c(-c2ccc(O)c(O)c2)oc2c(Cl)c(O)cc(O)c12 299823207 DWLWFYBYWGVLKV-UHFFFAOYSA-N 355.129 3.589 10 1 FHCF CC(=O)Nc1ccc(/N=N/c2ccc(OC[C@@H](O)CNC(C)C)cc2)cc1 1911586439 ZIHBOBXUKWULNE-SMIQVMJNSA-N 370.453 3.798 10 1 FHCF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccc(N)cc1 13651709 JXSQEBOFIUQIGQ-UHFFFAOYSA-N 362.429 3.822 10 1 FHCF O=C1NC[C@@H](c2ccc(N3CCCCC3)cc2)N1c1ccc2[nH]cnc2c1 116195379 HDKANOMLDGKNCU-FQEVSTJZSA-N 361.449 3.824 10 1 FHCF CCOC(=O)[C@]1(C)C(/N=N/c2ccccc2)=C(O)C(=O)N1c1ccccc1 101719569 FELVFPOIGITSMT-VSRNGQBXSA-N 365.389 3.909 10 1 FHCF